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 1w2t_1_D DATA FIRST_RESID 1 DATA SEQUENCE LFKPNYHFFP ITGWMNDPNG LIFWKGKYHM FYQYNPRKPE WGNICWGHAV DATA SEQUENCE SDDLVHWRHL PVALYPDDET HGVFSGSAVE KDGKMFLVYT YYRDPTHNKG DATA SEQUENCE EKETQCVVMS ENGLDFVKYD GNPVISKPPE EGTHAFRDPK VNRSNGEWRM DATA SEQUENCE VLGSGKDEKI GRVLLYTSDD LFHWKYEGAI FEDETTKEID CPDLVRIGEK DATA SEQUENCE DILIYSITST NSVLFSMGEL KEGKLNVEKR GLLDHGTDFY AAQTFFGTDR DATA SEQUENCE VVVIGWLQSW LRTGLYPTKR EGWNGVMSLP RELYVENNEL KVKPVDELLA DATA SEQUENCE LRKRKVFETA KSGTFLLDVK ENSYEIVCEF SGEIELRMGN ESEEVVITKS DATA SEQUENCE RDELIVDTTR SGVSGGEVRK STVEDEATNR IRAFLDSCSV EFFFNDSIAF DATA SEQUENCE SFRIHPENVY NILSVKSNQV KLEVFELENI WL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.730 176.870 -0.234 0.000 1.165 1 L CA 0.000 54.632 54.840 -0.347 0.000 0.813 1 L CB 0.000 41.610 42.059 -0.748 0.000 0.961 2 F N 1.537 121.516 119.950 0.048 0.000 2.710 2 F HA 0.269 4.796 4.527 0.001 0.000 0.298 2 F C 0.801 176.658 175.800 0.095 0.000 1.137 2 F CA -0.174 57.873 58.000 0.079 0.000 1.444 2 F CB 0.082 39.124 39.000 0.071 0.000 1.111 2 F HN -0.035 nan 8.300 nan 0.000 0.580 3 K N 2.599 123.069 120.400 0.117 0.000 2.436 3 K HA 0.060 4.380 4.320 0.001 0.000 0.282 3 K C -2.410 173.933 176.600 -0.429 0.000 1.044 3 K CA -1.628 54.388 56.287 -0.452 0.000 1.028 3 K CB -0.091 32.154 32.500 -0.425 0.000 0.919 3 K HN -0.163 nan 8.250 nan 0.000 0.474 4 P HA -0.044 nan 4.420 nan 0.000 0.265 4 P C 0.020 177.354 177.300 0.056 0.000 1.193 4 P CA 0.041 62.996 63.100 -0.242 0.000 0.765 4 P CB 0.531 32.131 31.700 -0.166 0.000 0.823 5 N N 1.682 120.423 118.700 0.069 0.000 2.250 5 N HA -0.117 4.624 4.740 0.001 0.000 0.181 5 N C 0.829 176.510 175.510 0.286 0.000 1.017 5 N CA 1.501 54.701 53.050 0.251 0.000 0.866 5 N CB -0.002 38.640 38.487 0.258 0.000 0.985 5 N HN 0.630 nan 8.380 nan 0.000 0.429 6 Y N -1.912 118.446 120.300 0.096 0.000 2.779 6 Y HA 0.437 4.987 4.550 0.000 0.000 0.251 6 Y C -0.147 175.626 175.900 -0.211 0.000 1.145 6 Y CA -0.829 57.201 58.100 -0.117 0.000 1.201 6 Y CB -0.600 37.748 38.460 -0.187 0.000 1.281 6 Y HN -0.120 nan 8.280 nan 0.000 0.563 7 H N 0.746 119.852 119.070 0.059 0.000 2.533 7 H HA 0.265 4.822 4.556 0.001 0.000 0.343 7 H C -1.107 174.489 175.328 0.448 0.000 1.160 7 H CA -1.224 54.936 56.048 0.187 0.000 1.218 7 H CB 2.096 31.872 29.762 0.023 0.000 1.566 7 H HN 0.212 nan 8.280 nan 0.000 0.522 8 F N 3.606 123.752 119.950 0.326 0.000 2.495 8 F HA 0.240 4.768 4.527 0.001 0.000 0.365 8 F C -0.709 175.211 175.800 0.200 0.000 1.090 8 F CA -0.361 57.753 58.000 0.190 0.000 1.235 8 F CB -0.086 38.676 39.000 -0.397 0.000 1.119 8 F HN 0.418 nan 8.300 nan 0.000 0.562 9 F N 5.575 124.945 119.950 -0.966 0.000 2.668 9 F HA 0.703 5.231 4.527 0.002 0.000 0.309 9 F C -3.171 171.989 175.800 -1.068 0.000 1.117 9 F CA -3.108 54.381 58.000 -0.852 0.000 0.951 9 F CB 0.380 38.977 39.000 -0.671 0.000 1.323 9 F HN 0.199 nan 8.300 nan 0.000 0.451 10 P HA 0.233 nan 4.420 nan 0.000 0.274 10 P C 1.048 177.951 177.300 -0.663 0.000 1.231 10 P CA -0.261 62.479 63.100 -0.601 0.000 0.790 10 P CB 1.427 33.046 31.700 -0.134 0.000 0.951 11 I N -1.239 118.931 120.570 -0.666 0.000 2.493 11 I HA 0.002 4.173 4.170 0.001 0.000 0.254 11 I C 0.677 176.675 176.117 -0.199 0.000 1.160 11 I CA 1.162 62.114 61.300 -0.580 0.000 1.445 11 I CB -0.292 37.354 38.000 -0.590 0.000 1.086 11 I HN 0.308 nan 8.210 nan 0.000 0.433 12 T N -0.541 114.026 114.554 0.021 0.000 2.893 12 T HA 0.536 4.887 4.350 0.001 0.000 0.337 12 T C -0.298 174.603 174.700 0.336 0.000 1.587 12 T CA 0.281 62.494 62.100 0.187 0.000 1.066 12 T CB 0.944 69.889 68.868 0.128 0.000 1.414 12 T HN 1.011 nan 8.240 nan 0.000 0.488 13 G N 2.476 111.476 108.800 0.334 0.000 2.584 13 G HA2 -0.138 3.823 3.960 0.001 0.000 0.229 13 G HA3 -0.138 3.823 3.960 0.001 0.000 0.229 13 G C -0.770 174.415 174.900 0.475 0.000 1.320 13 G CA 0.071 45.375 45.100 0.340 0.000 0.891 13 G HN 1.077 nan 8.290 nan 0.000 0.573 14 W N 1.256 122.723 121.300 0.278 0.000 2.520 14 W HA 0.743 5.403 4.660 0.001 0.000 0.323 14 W C -0.423 176.333 176.519 0.395 0.000 1.062 14 W CA -0.899 56.623 57.345 0.295 0.000 1.215 14 W CB 1.265 30.846 29.460 0.201 0.000 1.340 14 W HN 0.820 nan 8.180 nan 0.000 0.516 15 M N 8.231 127.586 119.600 -0.409 0.000 2.326 15 M HA 0.208 4.688 4.480 0.001 0.000 0.306 15 M C -0.446 175.348 176.300 -0.843 0.000 1.054 15 M CA -0.317 54.816 55.300 -0.277 0.000 0.922 15 M CB 1.421 33.950 32.600 -0.118 0.000 1.632 15 M HN 0.632 nan 8.290 nan 0.000 0.436 16 N N 2.227 120.517 118.700 -0.683 0.000 2.014 16 N HA 0.271 5.011 4.740 0.001 0.000 0.135 16 N C -1.027 173.930 175.510 -0.922 0.000 1.468 16 N CA -0.369 51.763 53.050 -1.531 0.000 1.088 16 N CB -0.386 37.240 38.487 -1.435 0.000 1.197 16 N HN 0.493 nan 8.380 nan 0.000 0.312 17 D N 2.904 122.974 120.400 -0.549 0.000 2.506 17 D HA 0.174 4.815 4.640 0.001 0.000 0.234 17 D C -2.049 174.111 176.300 -0.234 0.000 1.143 17 D CA -0.388 53.433 54.000 -0.297 0.000 0.871 17 D CB -0.042 40.652 40.800 -0.176 0.000 1.190 17 D HN 0.307 nan 8.370 nan 0.000 0.459 18 P HA 0.129 nan 4.420 nan 0.000 0.271 18 P C -0.558 176.572 177.300 -0.283 0.000 1.216 18 P CA -0.325 62.652 63.100 -0.205 0.000 0.771 18 P CB 0.811 32.402 31.700 -0.181 0.000 0.864 19 N N 0.728 119.197 118.700 -0.385 0.000 2.321 19 N HA 0.409 5.150 4.740 0.001 0.000 0.290 19 N C 0.536 175.825 175.510 -0.369 0.000 1.212 19 N CA -0.147 52.538 53.050 -0.608 0.000 0.767 19 N CB 1.422 38.988 38.487 -1.536 0.000 1.494 19 N HN 0.593 nan 8.380 nan 0.000 0.479 20 G N 0.500 109.159 108.800 -0.236 0.000 2.341 20 G HA2 -0.259 3.702 3.960 0.001 0.000 0.292 20 G HA3 -0.259 3.702 3.960 0.001 0.000 0.292 20 G C -0.233 174.812 174.900 0.242 0.000 1.021 20 G CA 0.169 45.318 45.100 0.082 0.000 0.905 20 G HN 0.446 nan 8.290 nan 0.000 0.508 21 L N -0.406 120.814 121.223 -0.005 0.000 2.477 21 L HA 0.574 4.914 4.340 0.001 0.000 0.272 21 L C 0.754 177.717 176.870 0.155 0.000 1.157 21 L CA 0.069 54.762 54.840 -0.246 0.000 0.889 21 L CB 0.785 42.261 42.059 -0.970 0.000 1.158 21 L HN 0.356 nan 8.230 nan 0.000 0.473 22 I N 3.077 123.997 120.570 0.583 0.000 2.743 22 I HA 0.290 4.461 4.170 0.001 0.000 0.292 22 I C -1.479 175.182 176.117 0.907 0.000 1.343 22 I CA -0.618 61.147 61.300 0.776 0.000 1.038 22 I CB 2.374 40.714 38.000 0.566 0.000 1.311 22 I HN 0.342 nan 8.210 nan 0.000 0.426 23 F N 8.069 128.373 119.950 0.589 0.000 2.390 23 F HA 0.474 5.002 4.527 0.002 0.000 0.361 23 F C -1.370 174.659 175.800 0.381 0.000 1.124 23 F CA -0.145 58.006 58.000 0.252 0.000 1.149 23 F CB 0.549 39.501 39.000 -0.081 0.000 1.160 23 F HN 0.504 nan 8.300 nan 0.000 0.501 24 W N 8.170 129.335 121.300 -0.226 0.000 2.900 24 W HA 0.388 5.050 4.660 0.003 0.000 0.336 24 W C -0.577 175.803 176.519 -0.231 0.000 1.064 24 W CA -1.373 55.903 57.345 -0.114 0.000 1.237 24 W CB 0.984 30.465 29.460 0.036 0.000 1.391 24 W HN 0.567 nan 8.180 nan 0.000 0.468 25 K N 4.855 124.766 120.400 -0.815 0.000 3.278 25 K HA -0.209 4.112 4.320 0.001 0.000 0.270 25 K C 0.868 177.165 176.600 -0.505 0.000 0.955 25 K CA 1.363 57.212 56.287 -0.730 0.000 0.723 25 K CB -1.484 30.421 32.500 -0.993 0.000 1.382 25 K HN 1.343 nan 8.250 nan 0.000 0.461 26 G N -0.312 108.053 108.800 -0.725 0.000 2.162 26 G HA2 -0.339 3.621 3.960 0.001 0.000 0.260 26 G HA3 -0.339 3.621 3.960 0.001 0.000 0.260 26 G C -0.138 174.420 174.900 -0.570 0.000 0.976 26 G CA 0.974 45.724 45.100 -0.583 0.000 0.655 26 G HN 0.396 nan 8.290 nan 0.000 0.533 27 K N -0.929 119.049 120.400 -0.703 0.000 2.469 27 K HA 0.535 4.856 4.320 0.001 0.000 0.254 27 K C -1.157 175.335 176.600 -0.180 0.000 0.939 27 K CA -0.996 55.120 56.287 -0.284 0.000 0.812 27 K CB 1.617 34.049 32.500 -0.114 0.000 1.301 27 K HN 0.073 nan 8.250 nan 0.000 0.433 28 Y N 1.428 121.830 120.300 0.170 0.000 2.404 28 Y HA 0.162 4.713 4.550 0.002 0.000 0.344 28 Y C 0.057 176.180 175.900 0.372 0.000 0.995 28 Y CA -0.263 58.054 58.100 0.362 0.000 1.201 28 Y CB 0.356 38.901 38.460 0.142 0.000 1.151 28 Y HN 0.427 nan 8.280 nan 0.000 0.517 29 H N 3.602 123.064 119.070 0.652 0.000 2.489 29 H HA 0.456 5.012 4.556 -0.000 0.000 0.322 29 H C -0.553 175.012 175.328 0.395 0.000 1.091 29 H CA -0.604 55.719 56.048 0.460 0.000 1.291 29 H CB 1.227 31.235 29.762 0.410 0.000 1.436 29 H HN 0.652 nan 8.280 nan 0.000 0.480 30 M N 4.579 124.284 119.600 0.176 0.000 2.142 30 M HA 0.418 4.899 4.480 0.001 0.000 0.299 30 M C -1.745 174.411 176.300 -0.240 0.000 0.960 30 M CA -0.449 54.792 55.300 -0.099 0.000 0.920 30 M CB 0.662 32.973 32.600 -0.481 0.000 1.541 30 M HN 0.364 nan 8.290 nan 0.000 0.429 31 F N 3.835 123.744 119.950 -0.070 0.000 2.410 31 F HA 0.767 5.294 4.527 -0.000 0.000 0.324 31 F C -0.538 175.097 175.800 -0.275 0.000 1.093 31 F CA -0.237 57.645 58.000 -0.197 0.000 1.028 31 F CB 1.147 39.947 39.000 -0.334 0.000 1.309 31 F HN 0.575 nan 8.300 nan 0.000 0.499 32 Y N -2.133 118.008 120.300 -0.265 0.000 2.565 32 Y HA 0.371 4.921 4.550 0.001 0.000 0.330 32 Y C -1.343 174.401 175.900 -0.260 0.000 1.150 32 Y CA -1.723 56.181 58.100 -0.327 0.000 1.055 32 Y CB 0.517 38.846 38.460 -0.217 0.000 1.337 32 Y HN 0.375 nan 8.280 nan 0.000 0.457 33 Q N 2.533 122.266 119.800 -0.111 0.000 2.255 33 Q HA 0.092 4.433 4.340 0.001 0.000 0.280 33 Q C -1.563 174.600 176.000 0.272 0.000 1.068 33 Q CA 0.620 56.437 55.803 0.022 0.000 0.911 33 Q CB 0.796 29.557 28.738 0.039 0.000 1.157 33 Q HN 0.747 nan 8.270 nan 0.000 0.380 34 Y N 2.987 123.329 120.300 0.070 0.000 2.396 34 Y HA 0.264 4.815 4.550 0.001 0.000 0.332 34 Y C -1.217 174.736 175.900 0.088 0.000 1.034 34 Y CA -1.790 56.394 58.100 0.140 0.000 1.057 34 Y CB 1.395 39.851 38.460 -0.007 0.000 1.220 34 Y HN 0.512 nan 8.280 nan 0.000 0.440 35 N N 8.062 126.756 118.700 -0.010 0.000 2.626 35 N HA 0.408 5.148 4.740 0.001 0.000 0.249 35 N C -2.368 172.886 175.510 -0.426 0.000 1.021 35 N CA -2.545 50.351 53.050 -0.255 0.000 0.886 35 N CB 1.799 40.220 38.487 -0.109 0.000 1.149 35 N HN 0.311 nan 8.380 nan 0.000 0.517 36 P HA -0.068 nan 4.420 nan 0.000 0.230 36 P C 0.699 177.925 177.300 -0.123 0.000 1.158 36 P CA 0.756 63.561 63.100 -0.492 0.000 0.769 36 P CB 0.512 31.947 31.700 -0.443 0.000 0.807 37 R N 0.595 121.032 120.500 -0.105 0.000 2.115 37 R HA 0.008 4.349 4.340 0.001 0.000 0.226 37 R C 0.966 177.276 176.300 0.017 0.000 1.100 37 R CA 1.013 57.094 56.100 -0.032 0.000 0.980 37 R CB -0.251 30.023 30.300 -0.043 0.000 0.875 37 R HN 0.391 nan 8.270 nan 0.000 0.445 38 K N -1.278 119.150 120.400 0.046 0.000 2.642 38 K HA 0.241 4.561 4.320 0.001 0.000 0.290 38 K C -2.857 173.850 176.600 0.179 0.000 1.006 38 K CA -1.566 54.775 56.287 0.091 0.000 0.869 38 K CB 1.755 34.289 32.500 0.055 0.000 1.499 38 K HN -0.315 nan 8.250 nan 0.000 0.403 39 P HA 0.089 nan 4.420 nan 0.000 0.243 39 P C -1.089 176.452 177.300 0.401 0.000 1.668 39 P CA 0.308 63.605 63.100 0.328 0.000 0.898 39 P CB 0.059 31.883 31.700 0.206 0.000 1.637 40 E N -0.788 119.558 120.200 0.242 0.000 2.393 40 E HA 0.175 4.525 4.350 0.001 0.000 0.273 40 E C -1.003 175.383 176.600 -0.356 0.000 0.918 40 E CA -0.867 55.506 56.400 -0.045 0.000 0.773 40 E CB 1.226 30.904 29.700 -0.037 0.000 1.275 40 E HN 0.082 nan 8.360 nan 0.000 0.451 41 W N 1.213 121.849 121.300 -1.106 0.000 2.181 41 W HA 0.399 5.060 4.660 0.001 0.000 0.335 41 W C 0.306 176.605 176.519 -0.367 0.000 1.310 41 W CA 1.394 58.160 57.345 -0.965 0.000 1.226 41 W CB 0.634 29.595 29.460 -0.831 0.000 1.155 41 W HN 0.611 nan 8.180 nan 0.000 0.565 42 G N 3.203 111.414 108.800 -0.982 0.000 2.358 42 G HA2 0.083 4.044 3.960 0.001 0.000 0.303 42 G HA3 0.083 4.044 3.960 0.001 0.000 0.303 42 G C -0.670 173.828 174.900 -0.670 0.000 1.537 42 G CA -0.617 43.997 45.100 -0.811 0.000 0.928 42 G HN 0.759 nan 8.290 nan 0.000 0.656 43 N N -0.672 117.754 118.700 -0.458 0.000 2.705 43 N HA -0.176 4.565 4.740 0.001 0.000 0.255 43 N C 0.532 175.916 175.510 -0.210 0.000 1.008 43 N CA 0.703 53.618 53.050 -0.224 0.000 0.742 43 N CB -0.646 37.760 38.487 -0.134 0.000 0.906 43 N HN 0.596 nan 8.380 nan 0.000 0.541 44 I N 0.364 120.778 120.570 -0.261 0.000 2.588 44 I HA 0.051 4.221 4.170 0.001 0.000 0.283 44 I C 1.139 177.262 176.117 0.010 0.000 1.119 44 I CA -0.075 61.120 61.300 -0.175 0.000 1.419 44 I CB 0.214 38.110 38.000 -0.173 0.000 1.394 44 I HN 0.310 nan 8.210 nan 0.000 0.562 45 C N 5.532 124.831 119.300 -0.002 0.000 2.822 45 C HA 0.484 4.945 4.460 0.001 0.000 0.341 45 C C -0.479 174.605 174.990 0.158 0.000 1.301 45 C CA -0.730 58.274 59.018 -0.023 0.000 1.706 45 C CB 1.713 29.300 27.740 -0.253 0.000 2.178 45 C HN 0.696 nan 8.230 nan 0.000 0.481 46 W N 1.675 122.806 121.300 -0.283 0.000 2.283 46 W HA 0.521 5.181 4.660 -0.000 0.000 0.317 46 W C 0.656 176.976 176.519 -0.331 0.000 1.042 46 W CA -0.350 56.824 57.345 -0.285 0.000 1.348 46 W CB 0.299 29.546 29.460 -0.354 0.000 1.216 46 W HN 0.929 nan 8.180 nan 0.000 0.404 47 G N 1.622 110.141 108.800 -0.468 0.000 2.651 47 G HA2 0.248 4.208 3.960 0.001 0.000 0.260 47 G HA3 0.248 4.208 3.960 0.001 0.000 0.260 47 G C -1.230 173.344 174.900 -0.544 0.000 1.216 47 G CA -0.259 44.317 45.100 -0.874 0.000 0.913 47 G HN 0.611 nan 8.290 nan 0.000 0.535 48 H N -1.011 117.861 119.070 -0.330 0.000 2.947 48 H HA 0.539 5.095 4.556 -0.000 0.000 0.354 48 H C -0.790 174.518 175.328 -0.034 0.000 1.085 48 H CA -0.484 55.422 56.048 -0.237 0.000 1.253 48 H CB 1.708 31.395 29.762 -0.126 0.000 1.757 48 H HN 0.809 nan 8.280 nan 0.000 0.523 49 A N 3.844 126.504 122.820 -0.267 0.000 2.566 49 A HA 0.714 5.035 4.320 0.001 0.000 0.292 49 A C -1.584 175.869 177.584 -0.218 0.000 1.112 49 A CA -0.551 51.326 52.037 -0.267 0.000 0.707 49 A CB 2.142 20.854 19.000 -0.480 0.000 1.302 49 A HN 0.413 nan 8.150 nan 0.000 0.409 50 V N 0.484 120.410 119.914 0.020 0.000 3.012 50 V HA 0.820 4.941 4.120 0.001 0.000 0.307 50 V C -0.783 175.364 176.094 0.088 0.000 1.166 50 V CA 0.415 62.728 62.300 0.021 0.000 0.974 50 V CB 2.425 34.072 31.823 -0.294 0.000 1.040 50 V HN 1.931 nan 8.190 nan 0.000 0.428 51 S N 2.603 118.240 115.700 -0.105 0.000 2.564 51 S HA 0.567 5.038 4.470 0.001 0.000 0.274 51 S C -0.388 174.138 174.600 -0.122 0.000 1.124 51 S CA -0.651 57.338 58.200 -0.352 0.000 0.869 51 S CB 1.974 64.489 63.200 -1.142 0.000 1.105 51 S HN 0.643 nan 8.310 nan 0.000 0.472 52 D N 0.864 121.209 120.400 -0.091 0.000 2.323 52 D HA 0.087 4.728 4.640 0.001 0.000 0.209 52 D C 0.388 176.772 176.300 0.140 0.000 0.973 52 D CA 1.040 55.064 54.000 0.040 0.000 0.874 52 D CB -0.012 40.784 40.800 -0.007 0.000 0.930 52 D HN 0.810 nan 8.370 nan 0.000 0.521 53 D N -0.809 119.548 120.400 -0.071 0.000 2.672 53 D HA 0.018 4.659 4.640 0.001 0.000 0.287 53 D C 0.956 176.925 176.300 -0.551 0.000 1.559 53 D CA -0.385 53.495 54.000 -0.199 0.000 0.796 53 D CB -0.636 40.083 40.800 -0.135 0.000 1.181 53 D HN 0.009 nan 8.370 nan 0.000 0.458 54 L N -0.660 120.053 121.223 -0.850 0.000 4.625 54 L HA -0.298 4.043 4.340 0.001 0.000 0.428 54 L C 0.502 176.900 176.870 -0.786 0.000 1.129 54 L CA 0.801 55.084 54.840 -0.927 0.000 0.978 54 L CB -1.539 40.012 42.059 -0.847 0.000 2.043 54 L HN 0.208 nan 8.230 nan 0.000 0.847 55 V N -3.056 116.302 119.914 -0.927 0.000 3.177 55 V HA 0.122 4.242 4.120 0.001 0.000 0.219 55 V C 0.960 176.479 176.094 -0.957 0.000 1.344 55 V CA 0.270 62.099 62.300 -0.784 0.000 1.324 55 V CB 0.193 31.601 31.823 -0.692 0.000 1.165 55 V HN 0.280 nan 8.190 nan 0.000 0.510 56 H N 0.339 119.029 119.070 -0.633 0.000 2.982 56 H HA 0.151 4.708 4.556 0.001 0.000 0.261 56 H C -0.822 174.205 175.328 -0.501 0.000 1.603 56 H CA -0.674 55.082 56.048 -0.488 0.000 1.398 56 H CB -0.519 29.048 29.762 -0.325 0.000 1.693 56 H HN 0.397 nan 8.280 nan 0.000 0.535 57 W N 2.358 123.510 121.300 -0.246 0.000 2.202 57 W HA 0.317 4.977 4.660 0.001 0.000 0.332 57 W C 0.654 177.076 176.519 -0.161 0.000 1.263 57 W CA -0.530 56.704 57.345 -0.185 0.000 1.223 57 W CB 0.879 30.289 29.460 -0.083 0.000 1.128 57 W HN 0.213 nan 8.180 nan 0.000 0.573 58 R N 1.315 121.926 120.500 0.185 0.000 2.561 58 R HA 0.287 4.627 4.340 0.001 0.000 0.297 58 R C -1.080 175.299 176.300 0.131 0.000 0.969 58 R CA -1.299 54.889 56.100 0.147 0.000 0.879 58 R CB 1.473 31.829 30.300 0.094 0.000 1.178 58 R HN 0.511 nan 8.270 nan 0.000 0.445 59 H N 1.824 121.071 119.070 0.295 0.000 2.848 59 H HA 0.198 4.754 4.556 0.001 0.000 0.341 59 H C 0.046 175.436 175.328 0.104 0.000 1.060 59 H CA 0.384 56.561 56.048 0.214 0.000 1.444 59 H CB 0.673 30.531 29.762 0.160 0.000 1.446 59 H HN 0.156 nan 8.280 nan 0.000 0.583 60 L N 3.784 125.106 121.223 0.165 0.000 2.271 60 L HA 0.450 4.791 4.340 0.001 0.000 0.265 60 L C -2.034 174.955 176.870 0.198 0.000 1.013 60 L CA -2.405 52.499 54.840 0.108 0.000 0.820 60 L CB 1.308 43.305 42.059 -0.103 0.000 1.352 60 L HN 0.484 nan 8.230 nan 0.000 0.443 61 P HA 0.022 nan 4.420 nan 0.000 0.266 61 P C -0.651 176.814 177.300 0.275 0.000 1.195 61 P CA -0.292 62.959 63.100 0.251 0.000 0.768 61 P CB 0.356 32.211 31.700 0.258 0.000 0.838 62 V N 2.439 122.486 119.914 0.221 0.000 2.644 62 V HA -0.027 4.094 4.120 0.001 0.000 0.305 62 V C 1.483 177.634 176.094 0.096 0.000 1.053 62 V CA 1.394 63.751 62.300 0.095 0.000 1.186 62 V CB 0.073 31.867 31.823 -0.049 0.000 0.895 62 V HN 0.788 nan 8.190 nan 0.000 0.490 63 A N 5.916 128.739 122.820 0.005 0.000 1.901 63 A HA 0.387 4.708 4.320 0.001 0.000 0.210 63 A C 0.652 178.088 177.584 -0.247 0.000 1.208 63 A CA 0.538 52.510 52.037 -0.108 0.000 0.644 63 A CB 0.101 18.867 19.000 -0.391 0.000 0.863 63 A HN 0.625 nan 8.150 nan 0.000 0.454 64 L N -0.072 120.933 121.223 -0.363 0.000 2.362 64 L HA 0.554 4.895 4.340 0.001 0.000 0.275 64 L C -1.482 175.173 176.870 -0.358 0.000 0.998 64 L CA -0.793 53.800 54.840 -0.412 0.000 0.820 64 L CB 1.657 43.220 42.059 -0.827 0.000 1.270 64 L HN 0.311 nan 8.230 nan 0.000 0.415 65 Y N 2.119 122.339 120.300 -0.133 0.000 2.509 65 Y HA 0.534 5.084 4.550 0.000 0.000 0.341 65 Y C -2.027 173.870 175.900 -0.005 0.000 1.038 65 Y CA -2.419 55.655 58.100 -0.043 0.000 1.089 65 Y CB 1.232 39.682 38.460 -0.016 0.000 1.241 65 Y HN 0.383 nan 8.280 nan 0.000 0.468 66 P HA 0.094 nan 4.420 nan 0.000 0.274 66 P C -0.371 177.090 177.300 0.269 0.000 1.231 66 P CA -0.132 63.167 63.100 0.331 0.000 0.790 66 P CB 1.284 33.152 31.700 0.280 0.000 0.951 67 D N 0.142 120.736 120.400 0.323 0.000 2.269 67 D HA -0.041 4.599 4.640 0.001 0.000 0.208 67 D C 0.458 176.851 176.300 0.155 0.000 0.963 67 D CA 1.414 55.533 54.000 0.198 0.000 0.864 67 D CB 0.039 40.958 40.800 0.197 0.000 0.936 67 D HN 0.604 nan 8.370 nan 0.000 0.505 68 D N -2.022 118.480 120.400 0.170 0.000 2.759 68 D HA 0.131 4.771 4.640 0.001 0.000 0.321 68 D C 0.512 176.805 176.300 -0.012 0.000 1.267 68 D CA -0.585 53.442 54.000 0.045 0.000 0.933 68 D CB 0.728 41.526 40.800 -0.003 0.000 1.431 68 D HN -0.408 nan 8.370 nan 0.000 0.504 69 E N -0.787 119.376 120.200 -0.062 0.000 2.427 69 E HA -0.013 4.338 4.350 0.001 0.000 0.196 69 E C 1.036 177.568 176.600 -0.113 0.000 1.028 69 E CA 1.314 57.675 56.400 -0.065 0.000 0.864 69 E CB -0.202 29.467 29.700 -0.051 0.000 0.813 69 E HN 0.652 nan 8.360 nan 0.000 0.514 70 T N -1.379 113.024 114.554 -0.252 0.000 3.176 70 T HA 0.124 4.475 4.350 0.001 0.000 0.263 70 T C 0.427 174.849 174.700 -0.464 0.000 1.021 70 T CA -0.376 61.523 62.100 -0.335 0.000 0.905 70 T CB 0.048 68.677 68.868 -0.399 0.000 1.057 70 T HN -0.062 nan 8.240 nan 0.000 0.558 71 H N -0.033 118.993 119.070 -0.074 0.000 2.907 71 H HA 0.795 5.352 4.556 0.001 0.000 0.361 71 H C -0.090 175.214 175.328 -0.041 0.000 1.194 71 H CA -1.003 54.937 56.048 -0.180 0.000 1.152 71 H CB 1.800 31.323 29.762 -0.400 0.000 1.867 71 H HN 0.371 nan 8.280 nan 0.000 0.561 72 G N -0.206 108.653 108.800 0.099 0.000 2.667 72 G HA2 0.437 4.397 3.960 0.001 0.000 0.298 72 G HA3 0.437 4.397 3.960 0.001 0.000 0.298 72 G C -1.231 173.839 174.900 0.282 0.000 1.377 72 G CA -0.535 44.705 45.100 0.234 0.000 0.964 72 G HN 0.365 nan 8.290 nan 0.000 0.493 73 V N 3.144 123.281 119.914 0.371 0.000 2.299 73 V HA 0.294 4.414 4.120 0.001 0.000 0.255 73 V C -0.072 176.396 176.094 0.623 0.000 1.100 73 V CA -0.596 61.925 62.300 0.369 0.000 0.938 73 V CB -0.753 31.064 31.823 -0.010 0.000 1.139 73 V HN 0.479 nan 8.190 nan 0.000 0.490 74 F N 1.539 121.700 119.950 0.351 0.000 2.331 74 F HA 0.338 4.866 4.527 0.000 0.000 0.293 74 F C 1.474 177.558 175.800 0.473 0.000 1.277 74 F CA -0.553 57.653 58.000 0.343 0.000 1.204 74 F CB 0.380 39.520 39.000 0.234 0.000 1.374 74 F HN 0.324 nan 8.300 nan 0.000 0.520 75 S N -0.785 115.180 115.700 0.442 0.000 2.589 75 S HA 0.591 5.062 4.470 0.001 0.000 0.265 75 S C 0.374 175.214 174.600 0.399 0.000 1.342 75 S CA 0.248 58.618 58.200 0.284 0.000 1.005 75 S CB 0.868 64.104 63.200 0.059 0.000 0.909 75 S HN 0.963 nan 8.310 nan 0.000 0.555 76 G N 0.098 109.096 108.800 0.330 0.000 2.341 76 G HA2 0.522 4.483 3.960 0.001 0.000 0.299 76 G HA3 0.522 4.483 3.960 0.001 0.000 0.299 76 G C -1.206 173.835 174.900 0.236 0.000 1.274 76 G CA -0.127 45.188 45.100 0.359 0.000 0.853 76 G HN 1.010 nan 8.290 nan 0.000 0.493 77 S N -1.498 114.342 115.700 0.234 0.000 2.740 77 S HA 0.950 5.421 4.470 0.001 0.000 0.300 77 S C -0.377 174.289 174.600 0.110 0.000 1.147 77 S CA 0.002 58.274 58.200 0.121 0.000 0.871 77 S CB 1.749 64.987 63.200 0.065 0.000 1.173 77 S HN 2.356 nan 8.310 nan 0.000 0.510 78 A N 0.267 123.125 122.820 0.063 0.000 2.414 78 A HA 0.867 5.188 4.320 0.001 0.000 0.306 78 A C -0.783 176.722 177.584 -0.131 0.000 1.054 78 A CA -0.797 51.244 52.037 0.007 0.000 0.724 78 A CB 1.333 20.391 19.000 0.097 0.000 1.267 78 A HN 1.436 nan 8.150 nan 0.000 0.418 79 V N -0.237 119.517 119.914 -0.268 0.000 3.160 79 V HA 0.670 4.791 4.120 0.001 0.000 0.310 79 V C -0.399 175.588 176.094 -0.177 0.000 1.181 79 V CA -0.820 61.079 62.300 -0.669 0.000 1.047 79 V CB 1.835 33.135 31.823 -0.873 0.000 1.068 79 V HN 0.971 nan 8.190 nan 0.000 0.441 80 E N 1.401 121.608 120.200 0.011 0.000 2.187 80 E HA 0.595 4.946 4.350 0.001 0.000 0.268 80 E C -1.220 175.630 176.600 0.415 0.000 0.896 80 E CA -0.711 55.929 56.400 0.400 0.000 0.766 80 E CB 1.828 31.909 29.700 0.635 0.000 1.142 80 E HN 0.716 nan 8.360 nan 0.000 0.408 81 K N 4.379 125.023 120.400 0.408 0.000 2.535 81 K HA 0.167 4.488 4.320 0.001 0.000 0.250 81 K C -1.191 175.625 176.600 0.360 0.000 0.948 81 K CA -0.424 56.056 56.287 0.322 0.000 0.796 81 K CB 0.971 33.439 32.500 -0.054 0.000 1.216 81 K HN 0.556 nan 8.250 nan 0.000 0.432 82 D N 3.361 123.924 120.400 0.272 0.000 2.772 82 D HA -0.203 4.437 4.640 0.001 0.000 0.233 82 D C 0.718 177.159 176.300 0.235 0.000 1.143 82 D CA 1.890 56.025 54.000 0.224 0.000 0.700 82 D CB -1.197 39.730 40.800 0.212 0.000 1.076 82 D HN 1.127 nan 8.370 nan 0.000 0.430 83 G N -0.886 108.072 108.800 0.263 0.000 2.234 83 G HA2 -0.381 3.580 3.960 0.001 0.000 0.260 83 G HA3 -0.381 3.580 3.960 0.001 0.000 0.260 83 G C 0.368 175.522 174.900 0.424 0.000 0.987 83 G CA 0.879 46.132 45.100 0.255 0.000 0.625 83 G HN 0.507 nan 8.290 nan 0.000 0.532 84 K N 0.137 120.783 120.400 0.411 0.000 2.098 84 K HA 0.672 4.993 4.320 0.001 0.000 0.261 84 K C 0.370 177.113 176.600 0.239 0.000 0.987 84 K CA -0.670 55.794 56.287 0.294 0.000 0.916 84 K CB 1.468 33.995 32.500 0.044 0.000 1.039 84 K HN 0.230 nan 8.250 nan 0.000 0.455 85 M N 3.121 122.590 119.600 -0.219 0.000 2.146 85 M HA 0.309 4.790 4.480 0.001 0.000 0.357 85 M C -1.542 174.522 176.300 -0.394 0.000 1.261 85 M CA -0.283 54.753 55.300 -0.440 0.000 1.106 85 M CB 0.337 32.310 32.600 -1.045 0.000 1.612 85 M HN 0.429 nan 8.290 nan 0.000 0.470 86 F N 5.526 125.350 119.950 -0.211 0.000 2.467 86 F HA 0.476 5.003 4.527 0.001 0.000 0.336 86 F C -0.665 175.010 175.800 -0.209 0.000 1.123 86 F CA -0.590 57.292 58.000 -0.196 0.000 0.964 86 F CB 1.390 40.227 39.000 -0.272 0.000 1.136 86 F HN 0.410 nan 8.300 nan 0.000 0.447 87 L N 4.674 125.856 121.223 -0.068 0.000 2.289 87 L HA 0.668 5.009 4.340 0.001 0.000 0.285 87 L C -0.782 176.062 176.870 -0.045 0.000 1.049 87 L CA -0.998 53.752 54.840 -0.150 0.000 0.804 87 L CB 1.334 43.103 42.059 -0.483 0.000 1.195 87 L HN 0.250 nan 8.230 nan 0.000 0.428 88 V N 3.851 123.751 119.914 -0.023 0.000 2.409 88 V HA 0.493 4.614 4.120 0.001 0.000 0.291 88 V C -0.775 175.318 176.094 -0.003 0.000 1.020 88 V CA -0.662 61.586 62.300 -0.087 0.000 0.848 88 V CB 1.015 32.745 31.823 -0.154 0.000 0.990 88 V HN 0.662 nan 8.190 nan 0.000 0.430 89 Y N 1.087 121.272 120.300 -0.192 0.000 2.615 89 Y HA 0.787 5.337 4.550 0.000 0.000 0.341 89 Y C -0.233 175.623 175.900 -0.074 0.000 1.089 89 Y CA -1.263 56.781 58.100 -0.093 0.000 1.049 89 Y CB 1.339 39.615 38.460 -0.306 0.000 1.296 89 Y HN 0.327 nan 8.280 nan 0.000 0.470 90 T N 2.528 117.183 114.554 0.168 0.000 2.780 90 T HA 0.186 4.537 4.350 0.001 0.000 0.294 90 T C -1.542 173.329 174.700 0.284 0.000 0.949 90 T CA -0.034 62.121 62.100 0.093 0.000 1.074 90 T CB -0.057 68.894 68.868 0.137 0.000 0.910 90 T HN 0.539 nan 8.240 nan 0.000 0.501 91 Y N 4.050 124.330 120.300 -0.033 0.000 2.335 91 Y HA 0.457 5.008 4.550 0.001 0.000 0.339 91 Y C -0.812 175.012 175.900 -0.127 0.000 0.987 91 Y CA -1.936 56.154 58.100 -0.017 0.000 1.140 91 Y CB 0.469 38.883 38.460 -0.077 0.000 1.173 91 Y HN 0.656 nan 8.280 nan 0.000 0.486 92 Y N 6.708 126.595 120.300 -0.689 0.000 2.377 92 Y HA 0.582 5.133 4.550 0.001 0.000 0.339 92 Y C -0.821 174.735 175.900 -0.574 0.000 1.011 92 Y CA -1.033 56.624 58.100 -0.740 0.000 1.093 92 Y CB 0.863 38.460 38.460 -1.438 0.000 1.201 92 Y HN 0.671 nan 8.280 nan 0.000 0.455 93 R N 4.592 124.478 120.500 -1.024 0.000 2.494 93 R HA 0.308 4.648 4.340 0.001 0.000 0.305 93 R C -1.288 174.504 176.300 -0.846 0.000 0.959 93 R CA -0.742 55.045 56.100 -0.521 0.000 0.864 93 R CB 0.778 30.914 30.300 -0.273 0.000 1.159 93 R HN 0.719 nan 8.270 nan 0.000 0.446 94 D N 5.410 125.582 120.400 -0.381 0.000 2.423 94 D HA 0.110 4.751 4.640 0.001 0.000 0.238 94 D C -2.206 173.980 176.300 -0.189 0.000 1.142 94 D CA -1.109 52.787 54.000 -0.173 0.000 0.884 94 D CB 0.779 41.552 40.800 -0.046 0.000 1.199 94 D HN 0.351 nan 8.370 nan 0.000 0.438 95 P HA 0.067 nan 4.420 nan 0.000 0.268 95 P C -0.027 177.182 177.300 -0.152 0.000 1.205 95 P CA -0.055 62.984 63.100 -0.100 0.000 0.771 95 P CB 0.626 32.308 31.700 -0.031 0.000 0.858 96 T N -0.184 114.245 114.554 -0.208 0.000 2.765 96 T HA 0.288 4.639 4.350 0.001 0.000 0.251 96 T C 0.564 175.053 174.700 -0.352 0.000 1.027 96 T CA -0.269 61.575 62.100 -0.426 0.000 1.030 96 T CB 0.074 68.697 68.868 -0.408 0.000 1.935 96 T HN 0.391 nan 8.240 nan 0.000 0.563 97 H N 0.038 119.095 119.070 -0.021 0.000 2.487 97 H HA 0.519 5.076 4.556 0.001 0.000 0.290 97 H C 0.388 175.706 175.328 -0.016 0.000 1.081 97 H CA -0.556 55.483 56.048 -0.016 0.000 1.116 97 H CB 0.018 29.771 29.762 -0.015 0.000 1.560 97 H HN 0.347 nan 8.280 nan 0.000 0.548 98 N N -0.041 118.668 118.700 0.015 0.000 1.874 98 N HA -0.031 4.710 4.740 0.001 0.000 0.244 98 N C -0.563 174.932 175.510 -0.025 0.000 1.422 98 N CA 0.054 53.108 53.050 0.006 0.000 0.727 98 N CB 0.859 39.357 38.487 0.018 0.000 1.128 98 N HN 0.141 nan 8.380 nan 0.000 0.566 99 K N 1.208 121.575 120.400 -0.055 0.000 2.358 99 K HA 0.528 4.848 4.320 0.001 0.000 0.260 99 K C 0.447 177.002 176.600 -0.075 0.000 0.956 99 K CA -0.469 55.779 56.287 -0.065 0.000 0.834 99 K CB 2.152 34.605 32.500 -0.079 0.000 1.102 99 K HN 0.009 nan 8.250 nan 0.000 0.431 100 G N 1.822 110.586 108.800 -0.060 0.000 2.631 100 G HA2 -0.023 3.938 3.960 0.001 0.000 0.271 100 G HA3 -0.023 3.938 3.960 0.001 0.000 0.271 100 G C -0.317 174.527 174.900 -0.093 0.000 1.302 100 G CA -0.415 44.650 45.100 -0.057 0.000 1.002 100 G HN 0.741 nan 8.290 nan 0.000 0.519 101 E N -1.080 119.065 120.200 -0.092 0.000 2.392 101 E HA 0.430 4.780 4.350 0.001 0.000 0.259 101 E C -0.333 176.156 176.600 -0.186 0.000 1.108 101 E CA -0.372 55.909 56.400 -0.199 0.000 0.916 101 E CB 1.016 30.630 29.700 -0.143 0.000 0.989 101 E HN 0.364 nan 8.360 nan 0.000 0.432 102 K N 1.052 121.267 120.400 -0.307 0.000 2.498 102 K HA 0.254 4.574 4.320 0.001 0.000 0.254 102 K C -1.565 174.903 176.600 -0.220 0.000 0.933 102 K CA -0.561 55.608 56.287 -0.197 0.000 0.806 102 K CB 1.953 34.353 32.500 -0.166 0.000 1.301 102 K HN 0.638 nan 8.250 nan 0.000 0.432 103 E N 1.671 121.843 120.200 -0.047 0.000 2.246 103 E HA 0.264 4.615 4.350 0.001 0.000 0.266 103 E C -1.240 175.419 176.600 0.098 0.000 0.880 103 E CA -0.768 55.642 56.400 0.018 0.000 0.762 103 E CB 2.240 32.023 29.700 0.138 0.000 1.180 103 E HN 0.692 nan 8.360 nan 0.000 0.416 104 T N -0.062 114.502 114.554 0.016 0.000 2.916 104 T HA 0.468 4.818 4.350 0.001 0.000 0.292 104 T C -0.592 174.029 174.700 -0.132 0.000 1.064 104 T CA -1.164 60.937 62.100 0.001 0.000 1.011 104 T CB 1.621 70.484 68.868 -0.009 0.000 1.152 104 T HN 0.118 nan 8.240 nan 0.000 0.510 105 Q N 0.358 120.024 119.800 -0.224 0.000 2.293 105 Q HA 0.620 4.961 4.340 0.001 0.000 0.261 105 Q C -0.792 174.969 176.000 -0.400 0.000 0.960 105 Q CA -0.483 55.090 55.803 -0.383 0.000 0.882 105 Q CB 1.510 29.941 28.738 -0.512 0.000 1.275 105 Q HN 0.847 nan 8.270 nan 0.000 0.445 106 C N 0.875 119.788 119.300 -0.645 0.000 3.044 106 C HA 0.846 5.307 4.460 0.001 0.000 0.315 106 C C -0.149 174.440 174.990 -0.668 0.000 1.320 106 C CA -0.624 57.994 59.018 -0.668 0.000 1.582 106 C CB 2.367 29.576 27.740 -0.886 0.000 2.039 106 C HN 0.620 nan 8.230 nan 0.000 0.466 107 V N 1.458 121.220 119.914 -0.253 0.000 2.789 107 V HA 0.745 4.866 4.120 0.001 0.000 0.311 107 V C -0.632 175.543 176.094 0.134 0.000 1.073 107 V CA -0.354 61.941 62.300 -0.008 0.000 0.921 107 V CB 1.886 33.795 31.823 0.143 0.000 1.009 107 V HN 0.697 nan 8.190 nan 0.000 0.426 108 V N 4.770 124.763 119.914 0.133 0.000 2.914 108 V HA 0.650 4.771 4.120 0.001 0.000 0.314 108 V C -0.374 175.692 176.094 -0.046 0.000 1.084 108 V CA -0.600 61.736 62.300 0.060 0.000 0.963 108 V CB 2.204 34.009 31.823 -0.030 0.000 1.025 108 V HN 0.819 nan 8.190 nan 0.000 0.432 109 M N 2.583 122.097 119.600 -0.144 0.000 2.591 109 M HA 0.713 5.193 4.480 0.001 0.000 0.306 109 M C -1.218 174.873 176.300 -0.348 0.000 1.190 109 M CA -0.211 54.803 55.300 -0.477 0.000 0.889 109 M CB 2.127 34.355 32.600 -0.621 0.000 1.728 109 M HN 0.731 nan 8.290 nan 0.000 0.458 110 S N 1.565 116.975 115.700 -0.484 0.000 2.566 110 S HA 0.398 4.868 4.470 0.001 0.000 0.273 110 S C -0.066 174.314 174.600 -0.367 0.000 1.157 110 S CA -0.466 57.427 58.200 -0.511 0.000 0.938 110 S CB 1.365 64.006 63.200 -0.931 0.000 1.087 110 S HN 0.816 nan 8.310 nan 0.000 0.474 111 E N 2.355 122.436 120.200 -0.198 0.000 2.318 111 E HA -0.025 4.326 4.350 0.001 0.000 0.193 111 E C 0.745 177.453 176.600 0.181 0.000 0.998 111 E CA 0.503 56.910 56.400 0.012 0.000 0.859 111 E CB 0.084 29.790 29.700 0.010 0.000 0.812 111 E HN 0.733 nan 8.360 nan 0.000 0.492 112 N N -0.939 117.791 118.700 0.049 0.000 2.159 112 N HA 0.062 4.803 4.740 0.001 0.000 0.217 112 N C 1.137 176.755 175.510 0.181 0.000 1.223 112 N CA 0.650 53.824 53.050 0.208 0.000 0.896 112 N CB 0.845 39.379 38.487 0.078 0.000 1.064 112 N HN 0.099 nan 8.380 nan 0.000 0.518 113 G N 0.227 108.849 108.800 -0.296 0.000 2.148 113 G HA2 -0.251 3.710 3.960 0.001 0.000 0.254 113 G HA3 -0.251 3.710 3.960 0.001 0.000 0.254 113 G C 0.263 175.125 174.900 -0.064 0.000 0.981 113 G CA 0.751 45.643 45.100 -0.346 0.000 0.670 113 G HN 0.315 nan 8.290 nan 0.000 0.528 114 L N -0.288 120.800 121.223 -0.225 0.000 2.758 114 L HA 0.413 4.753 4.340 0.001 0.000 0.234 114 L C 0.273 177.062 176.870 -0.136 0.000 1.049 114 L CA 0.576 55.420 54.840 0.007 0.000 0.908 114 L CB 0.272 42.383 42.059 0.087 0.000 1.362 114 L HN 0.152 nan 8.230 nan 0.000 0.499 115 D N -0.287 119.878 120.400 -0.393 0.000 2.308 115 D HA 0.443 5.083 4.640 0.001 0.000 0.242 115 D C -1.051 174.922 176.300 -0.546 0.000 1.059 115 D CA -0.045 53.795 54.000 -0.267 0.000 0.830 115 D CB 1.661 42.383 40.800 -0.131 0.000 1.161 115 D HN -0.195 nan 8.370 nan 0.000 0.494 116 F N 0.899 120.812 119.950 -0.062 0.000 2.482 116 F HA 0.371 4.901 4.527 0.004 0.000 0.331 116 F C 0.335 176.070 175.800 -0.107 0.000 1.115 116 F CA -1.119 56.805 58.000 -0.125 0.000 0.955 116 F CB 1.939 40.839 39.000 -0.166 0.000 1.136 116 F HN 0.024 nan 8.300 nan 0.000 0.452 117 V N 0.131 120.061 119.914 0.026 0.000 2.656 117 V HA 0.609 4.730 4.120 0.001 0.000 0.307 117 V C -0.585 175.512 176.094 0.004 0.000 1.051 117 V CA -1.357 60.941 62.300 -0.003 0.000 0.893 117 V CB 1.588 33.391 31.823 -0.033 0.000 0.999 117 V HN 0.677 nan 8.190 nan 0.000 0.426 118 K N 2.883 123.281 120.400 -0.004 0.000 2.295 118 K HA 0.304 4.624 4.320 0.001 0.000 0.270 118 K C -0.612 176.011 176.600 0.040 0.000 1.011 118 K CA -0.339 55.953 56.287 0.009 0.000 0.953 118 K CB 0.547 33.020 32.500 -0.045 0.000 0.956 118 K HN 0.803 nan 8.250 nan 0.000 0.477 119 Y N 2.723 122.990 120.300 -0.055 0.000 2.526 119 Y HA -0.080 4.470 4.550 0.000 0.000 0.330 119 Y C 0.634 176.447 175.900 -0.145 0.000 1.156 119 Y CA -0.064 57.972 58.100 -0.107 0.000 1.419 119 Y CB 0.406 38.823 38.460 -0.071 0.000 1.250 119 Y HN 0.677 nan 8.280 nan 0.000 0.540 120 D N 3.518 123.526 120.400 -0.653 0.000 2.178 120 D HA -0.094 4.547 4.640 0.001 0.000 0.201 120 D C 1.815 177.668 176.300 -0.745 0.000 0.980 120 D CA 1.725 55.380 54.000 -0.575 0.000 0.842 120 D CB -0.208 40.338 40.800 -0.424 0.000 0.948 120 D HN 0.854 nan 8.370 nan 0.000 0.472 121 G N 0.054 107.964 108.800 -1.483 0.000 3.181 121 G HA2 -0.074 3.886 3.960 0.001 0.000 0.219 121 G HA3 -0.074 3.886 3.960 0.001 0.000 0.219 121 G C 0.559 175.221 174.900 -0.397 0.000 1.182 121 G CA -0.357 44.200 45.100 -0.906 0.000 0.791 121 G HN 0.057 nan 8.290 nan 0.000 0.537 122 N N 2.067 120.586 118.700 -0.301 0.000 2.395 122 N HA 0.171 4.911 4.740 0.001 0.000 0.246 122 N C -2.025 173.421 175.510 -0.106 0.000 1.246 122 N CA -0.664 52.338 53.050 -0.080 0.000 0.879 122 N CB 1.051 39.473 38.487 -0.108 0.000 1.098 122 N HN 0.144 nan 8.380 nan 0.000 0.444 123 P HA 0.078 nan 4.420 nan 0.000 0.277 123 P C 0.941 178.250 177.300 0.015 0.000 1.240 123 P CA -0.464 62.601 63.100 -0.059 0.000 0.798 123 P CB 0.845 32.504 31.700 -0.068 0.000 0.979 124 V N -0.037 119.900 119.914 0.040 0.000 2.719 124 V HA 0.093 4.213 4.120 0.001 0.000 0.252 124 V C 0.955 177.106 176.094 0.095 0.000 1.065 124 V CA 1.036 63.419 62.300 0.138 0.000 1.086 124 V CB -0.811 31.157 31.823 0.242 0.000 0.700 124 V HN 0.324 nan 8.190 nan 0.000 0.467 125 I N 1.452 121.990 120.570 -0.053 0.000 2.439 125 I HA 0.327 4.498 4.170 0.001 0.000 0.283 125 I C 0.998 177.124 176.117 0.015 0.000 1.023 125 I CA 0.200 61.474 61.300 -0.043 0.000 1.100 125 I CB 2.050 39.897 38.000 -0.255 0.000 1.238 125 I HN 0.157 nan 8.210 nan 0.000 0.445 126 S N 4.341 120.068 115.700 0.045 0.000 2.478 126 S HA 0.260 4.730 4.470 0.001 0.000 0.222 126 S C 0.618 175.237 174.600 0.032 0.000 1.008 126 S CA 0.220 58.438 58.200 0.030 0.000 0.928 126 S CB 0.196 63.405 63.200 0.016 0.000 0.781 126 S HN 0.577 nan 8.310 nan 0.000 0.518 127 K N 0.994 121.408 120.400 0.023 0.000 2.512 127 K HA 0.543 4.863 4.320 0.001 0.000 0.263 127 K C -3.272 173.141 176.600 -0.311 0.000 0.966 127 K CA -2.346 53.886 56.287 -0.092 0.000 0.851 127 K CB 1.767 34.215 32.500 -0.088 0.000 1.395 127 K HN -0.054 nan 8.250 nan 0.000 0.440 128 P HA 0.049 nan 4.420 nan 0.000 0.270 128 P C -1.998 174.988 177.300 -0.522 0.000 1.223 128 P CA -0.971 61.475 63.100 -1.089 0.000 0.785 128 P CB 0.164 31.338 31.700 -0.877 0.000 0.923 129 P HA 0.005 nan 4.420 nan 0.000 0.221 129 P C 0.008 177.113 177.300 -0.325 0.000 1.155 129 P CA 1.295 64.096 63.100 -0.500 0.000 0.812 129 P CB 0.685 31.613 31.700 -1.287 0.000 0.801 130 E N -0.633 119.398 120.200 -0.283 0.000 2.355 130 E HA 0.376 4.726 4.350 0.001 0.000 0.261 130 E C -0.798 175.723 176.600 -0.133 0.000 0.943 130 E CA -0.935 55.374 56.400 -0.151 0.000 0.806 130 E CB 1.383 31.027 29.700 -0.093 0.000 1.286 130 E HN -0.142 nan 8.360 nan 0.000 0.424 131 E N -0.640 119.509 120.200 -0.084 0.000 2.343 131 E HA 0.366 4.717 4.350 0.001 0.000 0.269 131 E C 0.310 176.873 176.600 -0.061 0.000 1.047 131 E CA 0.942 57.298 56.400 -0.073 0.000 0.874 131 E CB 0.984 30.652 29.700 -0.053 0.000 1.033 131 E HN 0.676 nan 8.360 nan 0.000 0.409 132 G N 2.276 111.039 108.800 -0.061 0.000 2.143 132 G HA2 -0.283 3.677 3.960 0.001 0.000 0.248 132 G HA3 -0.283 3.677 3.960 0.001 0.000 0.248 132 G C 0.295 175.179 174.900 -0.028 0.000 0.991 132 G CA 0.598 45.665 45.100 -0.056 0.000 0.689 132 G HN 0.653 nan 8.290 nan 0.000 0.522 133 T N 0.117 114.661 114.554 -0.017 0.000 2.875 133 T HA 0.641 4.992 4.350 0.001 0.000 0.284 133 T C 0.201 174.995 174.700 0.157 0.000 0.995 133 T CA 0.402 62.542 62.100 0.068 0.000 1.060 133 T CB 1.208 70.063 68.868 -0.021 0.000 0.967 133 T HN 1.078 nan 8.240 nan 0.000 0.476 134 H N 1.574 120.669 119.070 0.042 0.000 2.931 134 H HA 0.640 5.196 4.556 0.001 0.000 0.331 134 H C 0.290 175.704 175.328 0.144 0.000 1.273 134 H CA -0.793 55.303 56.048 0.081 0.000 1.171 134 H CB 0.927 30.722 29.762 0.055 0.000 1.898 134 H HN 1.161 nan 8.280 nan 0.000 0.562 135 A N 0.061 122.854 122.820 -0.045 0.000 2.704 135 A HA -0.254 4.066 4.320 0.001 0.000 0.299 135 A C -0.299 177.351 177.584 0.110 0.000 1.507 135 A CA 0.838 52.848 52.037 -0.045 0.000 0.776 135 A CB -2.870 15.969 19.000 -0.269 0.000 1.027 135 A HN 0.650 nan 8.150 nan 0.000 0.475 136 F N 1.825 121.788 119.950 0.022 0.000 2.567 136 F HA 0.545 5.073 4.527 0.001 0.000 0.352 136 F C 0.789 176.609 175.800 0.033 0.000 1.229 136 F CA 0.111 58.126 58.000 0.026 0.000 1.228 136 F CB -0.250 38.759 39.000 0.015 0.000 1.568 136 F HN 0.653 nan 8.300 nan 0.000 0.634 137 R N 2.438 122.840 120.500 -0.163 0.000 2.747 137 R HA 0.423 4.764 4.340 0.001 0.000 0.272 137 R C -1.515 174.737 176.300 -0.080 0.000 1.032 137 R CA -0.802 55.222 56.100 -0.127 0.000 0.896 137 R CB 0.772 31.135 30.300 0.105 0.000 1.253 137 R HN 0.229 nan 8.270 nan 0.000 0.461 138 D N -0.088 120.306 120.400 -0.011 0.000 2.897 138 D HA -0.065 4.575 4.640 0.001 0.000 0.250 138 D C -2.406 173.870 176.300 -0.040 0.000 1.086 138 D CA 0.444 54.456 54.000 0.021 0.000 0.799 138 D CB -0.927 39.894 40.800 0.035 0.000 1.043 138 D HN 0.495 nan 8.370 nan 0.000 0.427 139 P HA 0.084 nan 4.420 nan 0.000 0.271 139 P C 0.015 177.277 177.300 -0.065 0.000 1.233 139 P CA 0.080 63.086 63.100 -0.158 0.000 0.764 139 P CB 0.914 32.437 31.700 -0.294 0.000 0.825 140 K N 3.629 124.012 120.400 -0.029 0.000 2.339 140 K HA 0.386 4.706 4.320 0.001 0.000 0.264 140 K C -1.067 175.567 176.600 0.057 0.000 0.986 140 K CA -0.834 55.472 56.287 0.032 0.000 0.866 140 K CB 1.394 33.934 32.500 0.065 0.000 1.103 140 K HN 0.200 nan 8.250 nan 0.000 0.441 141 V N 4.841 124.796 119.914 0.069 0.000 2.459 141 V HA 0.456 4.576 4.120 0.001 0.000 0.295 141 V C -0.055 176.196 176.094 0.261 0.000 1.029 141 V CA -0.855 61.527 62.300 0.137 0.000 0.874 141 V CB 1.649 33.490 31.823 0.030 0.000 0.985 141 V HN 0.937 nan 8.190 nan 0.000 0.438 142 N N 3.683 122.636 118.700 0.422 0.000 3.316 142 N HA 0.509 5.250 4.740 0.001 0.000 0.300 142 N C -1.124 174.728 175.510 0.569 0.000 1.567 142 N CA -1.089 52.333 53.050 0.618 0.000 0.821 142 N CB 1.132 39.940 38.487 0.536 0.000 1.748 142 N HN 0.240 nan 8.380 nan 0.000 0.603 143 R N -0.325 120.432 120.500 0.427 0.000 2.428 143 R HA 0.678 5.019 4.340 0.001 0.000 0.294 143 R C -0.928 175.403 176.300 0.052 0.000 1.000 143 R CA -0.520 55.624 56.100 0.072 0.000 0.960 143 R CB 0.730 30.995 30.300 -0.059 0.000 1.076 143 R HN 0.718 nan 8.270 nan 0.000 0.475 144 S N 2.231 117.920 115.700 -0.018 0.000 2.652 144 S HA 0.147 4.617 4.470 0.001 0.000 0.273 144 S C -0.735 173.843 174.600 -0.036 0.000 1.172 144 S CA -0.634 57.568 58.200 0.002 0.000 1.009 144 S CB 0.264 63.496 63.200 0.054 0.000 1.094 144 S HN 0.704 nan 8.310 nan 0.000 0.471 145 N N 3.210 121.885 118.700 -0.041 0.000 2.725 145 N HA -0.167 4.573 4.740 0.001 0.000 0.251 145 N C 0.648 176.112 175.510 -0.076 0.000 1.031 145 N CA 2.265 55.288 53.050 -0.045 0.000 0.720 145 N CB -1.409 37.065 38.487 -0.021 0.000 0.930 145 N HN 1.991 nan 8.380 nan 0.000 0.543 146 G N -0.706 108.023 108.800 -0.118 0.000 2.198 146 G HA2 -0.294 3.667 3.960 0.001 0.000 0.260 146 G HA3 -0.294 3.667 3.960 0.001 0.000 0.260 146 G C -0.213 174.558 174.900 -0.215 0.000 1.025 146 G CA 0.822 45.827 45.100 -0.158 0.000 0.769 146 G HN 0.837 nan 8.290 nan 0.000 0.507 147 E N -1.659 118.388 120.200 -0.255 0.000 2.413 147 E HA 0.555 4.906 4.350 0.001 0.000 0.277 147 E C -0.770 175.653 176.600 -0.294 0.000 0.958 147 E CA -1.320 54.940 56.400 -0.232 0.000 0.779 147 E CB 1.312 30.968 29.700 -0.073 0.000 1.278 147 E HN 0.225 nan 8.360 nan 0.000 0.456 148 W N 2.191 123.467 121.300 -0.040 0.000 2.376 148 W HA 0.465 5.125 4.660 -0.001 0.000 0.322 148 W C 0.343 176.958 176.519 0.159 0.000 1.160 148 W CA -0.545 56.812 57.345 0.020 0.000 1.218 148 W CB 1.089 30.473 29.460 -0.126 0.000 1.205 148 W HN 0.174 nan 8.180 nan 0.000 0.559 149 R N 4.098 124.914 120.500 0.525 0.000 2.575 149 R HA 0.532 4.873 4.340 0.001 0.000 0.293 149 R C -1.237 175.307 176.300 0.407 0.000 0.983 149 R CA -0.792 55.567 56.100 0.432 0.000 0.887 149 R CB 1.596 32.058 30.300 0.270 0.000 1.184 149 R HN 0.709 nan 8.270 nan 0.000 0.445 150 M N 5.805 125.613 119.600 0.346 0.000 2.321 150 M HA 0.357 4.838 4.480 0.001 0.000 0.315 150 M C -1.312 175.068 176.300 0.132 0.000 1.052 150 M CA -0.881 54.480 55.300 0.102 0.000 0.936 150 M CB 1.761 34.168 32.600 -0.322 0.000 1.639 150 M HN 0.457 nan 8.290 nan 0.000 0.433 151 V N 3.603 123.569 119.914 0.088 0.000 2.513 151 V HA 0.713 4.834 4.120 0.001 0.000 0.299 151 V C -1.041 175.080 176.094 0.045 0.000 1.035 151 V CA -0.711 61.651 62.300 0.104 0.000 0.889 151 V CB 1.608 33.491 31.823 0.100 0.000 0.988 151 V HN 0.934 nan 8.190 nan 0.000 0.440 152 L N 3.507 124.777 121.223 0.077 0.000 2.386 152 L HA 0.807 5.148 4.340 0.001 0.000 0.271 152 L C 0.859 177.769 176.870 0.066 0.000 0.993 152 L CA -0.491 54.351 54.840 0.002 0.000 0.819 152 L CB 2.178 44.188 42.059 -0.083 0.000 1.294 152 L HN 0.973 nan 8.230 nan 0.000 0.414 153 G N 1.034 109.857 108.800 0.039 0.000 2.569 153 G HA2 0.525 4.485 3.960 0.001 0.000 0.249 153 G HA3 0.525 4.485 3.960 0.001 0.000 0.249 153 G C -0.360 174.602 174.900 0.103 0.000 1.216 153 G CA 0.286 45.432 45.100 0.076 0.000 0.845 153 G HN 0.693 nan 8.290 nan 0.000 0.568 154 S N -0.870 114.896 115.700 0.111 0.000 2.655 154 S HA 0.782 5.252 4.470 0.001 0.000 0.266 154 S C -0.607 174.037 174.600 0.072 0.000 1.149 154 S CA -0.287 57.988 58.200 0.125 0.000 0.818 154 S CB 1.481 64.812 63.200 0.218 0.000 1.130 154 S HN 1.831 nan 8.310 nan 0.000 0.476 155 G N 0.226 109.076 108.800 0.084 0.000 2.741 155 G HA2 0.579 4.539 3.960 0.001 0.000 0.293 155 G HA3 0.579 4.539 3.960 0.001 0.000 0.293 155 G C -1.687 173.402 174.900 0.316 0.000 1.457 155 G CA -0.750 44.453 45.100 0.172 0.000 1.098 155 G HN 0.754 nan 8.290 nan 0.000 0.536 156 K N 2.473 122.983 120.400 0.183 0.000 2.234 156 K HA 0.386 4.706 4.320 0.001 0.000 0.277 156 K C -0.232 176.401 176.600 0.055 0.000 1.038 156 K CA -0.432 55.919 56.287 0.106 0.000 0.888 156 K CB 0.558 33.094 32.500 0.061 0.000 1.091 156 K HN 0.433 nan 8.250 nan 0.000 0.467 157 D N 4.118 124.508 120.400 -0.017 0.000 2.811 157 D HA -0.174 4.467 4.640 0.001 0.000 0.231 157 D C -0.695 175.557 176.300 -0.081 0.000 1.157 157 D CA 1.256 55.215 54.000 -0.068 0.000 0.716 157 D CB -0.660 40.120 40.800 -0.033 0.000 1.077 157 D HN 0.851 nan 8.370 nan 0.000 0.428 158 E N -2.021 118.103 120.200 -0.127 0.000 2.440 158 E HA -0.291 4.060 4.350 0.001 0.000 0.246 158 E C 1.046 177.659 176.600 0.022 0.000 1.165 158 E CA 1.662 58.029 56.400 -0.056 0.000 0.726 158 E CB -1.138 28.498 29.700 -0.107 0.000 1.271 158 E HN 0.717 nan 8.360 nan 0.000 0.397 159 K N -0.430 120.000 120.400 0.049 0.000 2.757 159 K HA 0.348 4.669 4.320 0.001 0.000 0.201 159 K C 0.517 177.144 176.600 0.046 0.000 1.495 159 K CA 0.098 56.406 56.287 0.034 0.000 1.090 159 K CB 0.915 33.423 32.500 0.014 0.000 1.796 159 K HN 0.098 nan 8.250 nan 0.000 0.523 160 I N 1.113 121.715 120.570 0.054 0.000 2.647 160 I HA 0.443 4.614 4.170 0.001 0.000 0.295 160 I C -0.783 175.369 176.117 0.058 0.000 1.078 160 I CA -0.981 60.342 61.300 0.039 0.000 1.048 160 I CB 2.089 40.091 38.000 0.004 0.000 1.239 160 I HN 0.245 nan 8.210 nan 0.000 0.421 161 G N 6.409 115.240 108.800 0.051 0.000 2.415 161 G HA2 0.597 4.558 3.960 0.001 0.000 0.269 161 G HA3 0.597 4.558 3.960 0.001 0.000 0.269 161 G C -0.801 174.116 174.900 0.029 0.000 1.209 161 G CA -0.483 44.656 45.100 0.064 0.000 0.835 161 G HN 0.647 nan 8.290 nan 0.000 0.534 162 R N 0.530 121.067 120.500 0.061 0.000 2.808 162 R HA 0.525 4.866 4.340 0.001 0.000 0.272 162 R C -1.546 174.823 176.300 0.115 0.000 0.995 162 R CA -0.889 55.249 56.100 0.064 0.000 0.917 162 R CB 2.610 32.954 30.300 0.073 0.000 1.217 162 R HN 0.341 nan 8.270 nan 0.000 0.471 163 V N 3.530 123.530 119.914 0.144 0.000 2.384 163 V HA 0.421 4.542 4.120 0.001 0.000 0.287 163 V C -0.057 176.146 176.094 0.182 0.000 1.020 163 V CA -0.723 61.669 62.300 0.153 0.000 0.850 163 V CB 1.499 33.400 31.823 0.130 0.000 0.987 163 V HN 0.461 nan 8.190 nan 0.000 0.436 164 L N 5.059 126.419 121.223 0.228 0.000 2.344 164 L HA 0.655 4.996 4.340 0.001 0.000 0.272 164 L C -0.657 176.385 176.870 0.286 0.000 1.035 164 L CA -0.752 54.276 54.840 0.313 0.000 0.807 164 L CB 1.691 44.034 42.059 0.473 0.000 1.237 164 L HN 0.432 nan 8.230 nan 0.000 0.442 165 L N 1.982 123.324 121.223 0.199 0.000 2.362 165 L HA 0.546 4.887 4.340 0.001 0.000 0.275 165 L C -1.334 175.584 176.870 0.080 0.000 0.998 165 L CA 0.021 54.953 54.840 0.155 0.000 0.820 165 L CB 1.500 43.592 42.059 0.054 0.000 1.270 165 L HN 0.291 nan 8.230 nan 0.000 0.415 166 Y N 1.469 121.892 120.300 0.205 0.000 2.570 166 Y HA 0.772 5.322 4.550 0.001 0.000 0.345 166 Y C 0.247 176.401 175.900 0.424 0.000 1.014 166 Y CA -0.600 57.688 58.100 0.313 0.000 1.063 166 Y CB 2.565 41.204 38.460 0.298 0.000 1.272 166 Y HN 0.650 nan 8.280 nan 0.000 0.477 167 T N -1.667 113.252 114.554 0.607 0.000 2.901 167 T HA 0.793 5.144 4.350 0.001 0.000 0.293 167 T C -0.841 174.005 174.700 0.242 0.000 1.084 167 T CA -0.920 61.450 62.100 0.450 0.000 1.008 167 T CB 1.892 70.891 68.868 0.217 0.000 1.170 167 T HN 0.586 nan 8.240 nan 0.000 0.509 168 S N -0.755 114.893 115.700 -0.087 0.000 2.537 168 S HA 0.410 4.880 4.470 0.001 0.000 0.271 168 S C -0.729 173.765 174.600 -0.177 0.000 1.148 168 S CA -0.645 57.290 58.200 -0.442 0.000 0.868 168 S CB 1.712 63.957 63.200 -1.592 0.000 1.115 168 S HN 0.724 nan 8.310 nan 0.000 0.461 169 D N 1.477 121.785 120.400 -0.153 0.000 2.346 169 D HA 0.100 4.740 4.640 0.001 0.000 0.206 169 D C 0.515 176.811 176.300 -0.007 0.000 1.001 169 D CA 0.762 54.727 54.000 -0.060 0.000 0.871 169 D CB 0.221 40.980 40.800 -0.069 0.000 0.943 169 D HN 0.753 nan 8.370 nan 0.000 0.518 170 D N -0.981 119.311 120.400 -0.180 0.000 2.538 170 D HA 0.047 4.688 4.640 0.001 0.000 0.241 170 D C 1.136 176.876 176.300 -0.934 0.000 1.297 170 D CA -0.435 53.366 54.000 -0.332 0.000 0.804 170 D CB 0.271 40.985 40.800 -0.143 0.000 1.122 170 D HN -0.141 nan 8.370 nan 0.000 0.519 171 L N -1.226 119.363 121.223 -1.056 0.000 5.044 171 L HA -0.269 4.072 4.340 0.001 0.000 0.412 171 L C 0.127 176.474 176.870 -0.871 0.000 0.971 171 L CA 1.125 55.242 54.840 -1.206 0.000 1.411 171 L CB -1.489 39.678 42.059 -1.487 0.000 1.884 171 L HN 0.198 nan 8.230 nan 0.000 0.631 172 F N -1.820 117.816 119.950 -0.522 0.000 2.592 172 F HA 0.320 4.847 4.527 -0.000 0.000 0.280 172 F C 1.421 177.001 175.800 -0.366 0.000 1.083 172 F CA -0.049 57.682 58.000 -0.448 0.000 1.365 172 F CB 0.014 38.665 39.000 -0.581 0.000 1.100 172 F HN 0.087 nan 8.300 nan 0.000 0.633 173 H N -1.017 117.956 119.070 -0.162 0.000 2.551 173 H HA 0.230 4.786 4.556 0.000 0.000 0.321 173 H C -1.307 173.873 175.328 -0.247 0.000 1.028 173 H CA -0.797 55.222 56.048 -0.049 0.000 1.215 173 H CB 0.679 30.448 29.762 0.010 0.000 1.414 173 H HN 0.045 nan 8.280 nan 0.000 0.480 174 W N 2.193 123.608 121.300 0.191 0.000 2.689 174 W HA 0.399 5.059 4.660 0.000 0.000 0.340 174 W C 0.080 176.779 176.519 0.300 0.000 1.060 174 W CA -0.808 56.670 57.345 0.222 0.000 1.218 174 W CB 1.831 31.393 29.460 0.169 0.000 1.410 174 W HN 0.272 nan 8.180 nan 0.000 0.528 175 K N 2.612 123.339 120.400 0.546 0.000 2.376 175 K HA 0.206 4.526 4.320 0.001 0.000 0.257 175 K C -1.368 175.439 176.600 0.344 0.000 0.939 175 K CA -0.964 55.553 56.287 0.383 0.000 0.809 175 K CB 1.169 33.795 32.500 0.210 0.000 1.121 175 K HN 0.544 nan 8.250 nan 0.000 0.425 176 Y N 4.208 124.535 120.300 0.046 0.000 2.569 176 Y HA -0.013 4.537 4.550 0.001 0.000 0.332 176 Y C 0.778 176.553 175.900 -0.209 0.000 1.120 176 Y CA 0.512 58.349 58.100 -0.438 0.000 1.416 176 Y CB 0.833 39.076 38.460 -0.361 0.000 1.210 176 Y HN 0.692 nan 8.280 nan 0.000 0.528 177 E N 3.968 123.758 120.200 -0.683 0.000 2.201 177 E HA 0.287 4.638 4.350 0.001 0.000 0.193 177 E C 0.878 177.026 176.600 -0.755 0.000 0.957 177 E CA 0.923 57.018 56.400 -0.509 0.000 0.858 177 E CB 0.218 29.782 29.700 -0.226 0.000 0.816 177 E HN 0.872 nan 8.360 nan 0.000 0.475 178 G N 0.284 108.363 108.800 -1.203 0.000 2.369 178 G HA2 0.301 4.261 3.960 0.001 0.000 0.307 178 G HA3 0.301 4.261 3.960 0.001 0.000 0.307 178 G C -1.499 173.263 174.900 -0.231 0.000 1.327 178 G CA -0.464 44.168 45.100 -0.781 0.000 0.963 178 G HN 0.239 nan 8.290 nan 0.000 0.590 179 A N -0.040 122.784 122.820 0.006 0.000 2.269 179 A HA 0.622 4.943 4.320 0.001 0.000 0.302 179 A C 1.408 179.026 177.584 0.058 0.000 1.266 179 A CA 0.071 52.167 52.037 0.098 0.000 0.894 179 A CB -0.237 18.837 19.000 0.122 0.000 1.147 179 A HN 1.774 nan 8.150 nan 0.000 0.537 180 I N -0.013 120.611 120.570 0.090 0.000 3.226 180 I HA 0.494 4.665 4.170 0.001 0.000 0.277 180 I C 0.027 176.259 176.117 0.192 0.000 1.243 180 I CA 0.309 61.672 61.300 0.106 0.000 1.459 180 I CB 0.066 38.126 38.000 0.101 0.000 1.093 180 I HN 0.428 nan 8.210 nan 0.000 0.453 181 F N 1.989 121.927 119.950 -0.020 0.000 2.665 181 F HA 0.503 5.031 4.527 0.001 0.000 0.308 181 F C -1.696 174.062 175.800 -0.069 0.000 1.112 181 F CA -0.752 57.214 58.000 -0.057 0.000 0.972 181 F CB 1.560 40.496 39.000 -0.106 0.000 1.295 181 F HN 0.245 nan 8.300 nan 0.000 0.440 182 E N 2.774 122.420 120.200 -0.923 0.000 2.356 182 E HA 0.414 4.765 4.350 0.001 0.000 0.275 182 E C -2.285 173.791 176.600 -0.873 0.000 0.904 182 E CA -1.055 54.964 56.400 -0.635 0.000 0.757 182 E CB 2.706 32.229 29.700 -0.295 0.000 1.232 182 E HN 0.399 nan 8.360 nan 0.000 0.442 183 D N 1.483 121.652 120.400 -0.385 0.000 2.505 183 D HA 0.076 4.717 4.640 0.001 0.000 0.250 183 D C -0.068 176.204 176.300 -0.047 0.000 1.164 183 D CA -0.341 53.561 54.000 -0.163 0.000 0.870 183 D CB 1.892 42.761 40.800 0.115 0.000 1.160 183 D HN 0.739 nan 8.370 nan 0.000 0.549 184 E N 1.422 121.593 120.200 -0.048 0.000 2.268 184 E HA -0.129 4.222 4.350 0.001 0.000 0.195 184 E C 1.374 177.986 176.600 0.021 0.000 0.995 184 E CA 0.999 57.389 56.400 -0.017 0.000 0.836 184 E CB 0.375 30.061 29.700 -0.024 0.000 0.763 184 E HN 0.526 nan 8.360 nan 0.000 0.491 185 T N -2.295 112.287 114.554 0.046 0.000 3.160 185 T HA 0.014 4.364 4.350 0.001 0.000 0.257 185 T C 0.643 175.387 174.700 0.075 0.000 1.147 185 T CA 0.404 62.539 62.100 0.060 0.000 1.064 185 T CB 0.405 69.316 68.868 0.071 0.000 0.949 185 T HN -0.067 nan 8.240 nan 0.000 0.526 186 T N -0.334 114.270 114.554 0.083 0.000 2.883 186 T HA 0.433 4.783 4.350 0.001 0.000 0.301 186 T C 0.165 174.915 174.700 0.082 0.000 1.158 186 T CA -0.873 61.284 62.100 0.094 0.000 1.007 186 T CB 1.938 70.891 68.868 0.141 0.000 1.186 186 T HN 0.007 nan 8.240 nan 0.000 0.499 187 K N 0.721 121.171 120.400 0.084 0.000 2.314 187 K HA 0.168 4.489 4.320 0.001 0.000 0.198 187 K C 0.500 177.165 176.600 0.108 0.000 1.045 187 K CA 0.422 56.767 56.287 0.098 0.000 0.988 187 K CB 0.304 32.866 32.500 0.104 0.000 0.783 187 K HN 0.720 nan 8.250 nan 0.000 0.484 188 E N 0.201 120.452 120.200 0.084 0.000 2.390 188 E HA 0.386 4.737 4.350 0.001 0.000 0.277 188 E C -1.215 175.452 176.600 0.111 0.000 0.939 188 E CA -0.765 55.669 56.400 0.056 0.000 0.769 188 E CB 1.596 31.276 29.700 -0.034 0.000 1.251 188 E HN -0.106 nan 8.360 nan 0.000 0.450 189 I N 2.102 122.741 120.570 0.116 0.000 2.406 189 I HA 0.309 4.479 4.170 0.001 0.000 0.290 189 I C -0.896 175.305 176.117 0.139 0.000 0.999 189 I CA -0.896 60.512 61.300 0.180 0.000 1.124 189 I CB 1.551 39.654 38.000 0.171 0.000 1.289 189 I HN 0.488 nan 8.210 nan 0.000 0.441 190 D N 4.434 124.923 120.400 0.149 0.000 2.217 190 D HA 0.266 4.906 4.640 0.001 0.000 0.248 190 D C 0.082 176.416 176.300 0.056 0.000 1.008 190 D CA -0.245 53.808 54.000 0.088 0.000 0.914 190 D CB 1.689 42.542 40.800 0.089 0.000 1.182 190 D HN 0.646 nan 8.370 nan 0.000 0.451 191 C N 1.282 120.600 119.300 0.030 0.000 3.896 191 C HA -0.105 4.356 4.460 0.001 0.000 0.300 191 C C -2.068 172.947 174.990 0.043 0.000 1.322 191 C CA -1.218 57.802 59.018 0.003 0.000 2.130 191 C CB -2.692 25.002 27.740 -0.077 0.000 1.363 191 C HN 0.466 nan 8.230 nan 0.000 0.642 192 P HA 0.457 nan 4.420 nan 0.000 0.274 192 P C -0.393 176.956 177.300 0.083 0.000 1.237 192 P CA 0.747 63.911 63.100 0.107 0.000 0.793 192 P CB 0.886 32.639 31.700 0.088 0.000 0.977 193 D N 1.530 121.988 120.400 0.095 0.000 2.470 193 D HA 0.250 4.891 4.640 0.001 0.000 0.233 193 D C -1.660 174.699 176.300 0.099 0.000 1.372 193 D CA -0.424 53.633 54.000 0.096 0.000 0.994 193 D CB 0.621 41.477 40.800 0.093 0.000 1.377 193 D HN 0.032 nan 8.370 nan 0.000 0.586 194 L N 5.183 126.468 121.223 0.103 0.000 2.257 194 L HA 0.617 4.958 4.340 0.001 0.000 0.290 194 L C -0.733 176.204 176.870 0.112 0.000 1.044 194 L CA -0.460 54.438 54.840 0.095 0.000 0.810 194 L CB 0.945 43.060 42.059 0.093 0.000 1.193 194 L HN 0.266 nan 8.230 nan 0.000 0.425 195 V N 2.652 122.624 119.914 0.097 0.000 3.074 195 V HA 0.702 4.823 4.120 0.001 0.000 0.314 195 V C -0.555 175.583 176.094 0.074 0.000 1.117 195 V CA -1.106 61.252 62.300 0.097 0.000 1.014 195 V CB 1.957 33.839 31.823 0.098 0.000 1.057 195 V HN 0.766 nan 8.190 nan 0.000 0.438 196 R N 1.669 122.208 120.500 0.066 0.000 2.310 196 R HA 0.774 5.115 4.340 0.001 0.000 0.324 196 R C -1.325 175.000 176.300 0.041 0.000 0.955 196 R CA -0.559 55.571 56.100 0.050 0.000 0.830 196 R CB 1.219 31.545 30.300 0.045 0.000 1.154 196 R HN 0.880 nan 8.270 nan 0.000 0.458 197 I N 3.659 124.250 120.570 0.034 0.000 2.439 197 I HA 0.315 4.486 4.170 0.001 0.000 0.283 197 I C 0.446 176.579 176.117 0.027 0.000 1.023 197 I CA -0.911 60.407 61.300 0.030 0.000 1.100 197 I CB 2.036 40.050 38.000 0.022 0.000 1.238 197 I HN 0.901 nan 8.210 nan 0.000 0.445 198 G N 4.753 113.570 108.800 0.028 0.000 2.363 198 G HA2 -0.283 3.677 3.960 0.001 0.000 0.286 198 G HA3 -0.283 3.677 3.960 0.001 0.000 0.286 198 G C 0.524 175.439 174.900 0.025 0.000 0.975 198 G CA 1.052 46.168 45.100 0.027 0.000 1.309 198 G HN 1.055 nan 8.290 nan 0.000 0.491 199 E N -2.157 118.057 120.200 0.024 0.000 3.916 199 E HA -0.248 4.102 4.350 0.001 0.000 0.331 199 E C 0.457 177.075 176.600 0.029 0.000 0.729 199 E CA 1.968 58.382 56.400 0.024 0.000 1.222 199 E CB -0.558 29.156 29.700 0.022 0.000 1.633 199 E HN 0.690 nan 8.360 nan 0.000 0.437 200 K N 1.158 121.577 120.400 0.032 0.000 2.259 200 K HA 0.314 4.634 4.320 0.001 0.000 0.252 200 K C -0.898 175.727 176.600 0.043 0.000 0.936 200 K CA -0.709 55.601 56.287 0.038 0.000 0.810 200 K CB 1.454 33.977 32.500 0.038 0.000 1.143 200 K HN 0.017 nan 8.250 nan 0.000 0.427 201 D N 2.913 123.343 120.400 0.049 0.000 2.280 201 D HA 0.310 4.951 4.640 0.001 0.000 0.243 201 D C -0.181 176.155 176.300 0.060 0.000 1.129 201 D CA -0.170 53.862 54.000 0.054 0.000 0.848 201 D CB 1.072 41.904 40.800 0.053 0.000 1.107 201 D HN 0.291 nan 8.370 nan 0.000 0.471 202 I N 2.506 123.112 120.570 0.061 0.000 2.389 202 I HA 0.180 4.351 4.170 0.001 0.000 0.288 202 I C -0.537 175.622 176.117 0.071 0.000 0.999 202 I CA -0.853 60.492 61.300 0.075 0.000 1.129 202 I CB 1.957 39.988 38.000 0.052 0.000 1.288 202 I HN 0.089 nan 8.210 nan 0.000 0.444 203 L N 8.440 129.698 121.223 0.058 0.000 2.276 203 L HA 0.586 4.926 4.340 0.001 0.000 0.286 203 L C -0.655 176.302 176.870 0.145 0.000 1.024 203 L CA 0.034 54.892 54.840 0.031 0.000 0.826 203 L CB 0.593 42.555 42.059 -0.161 0.000 1.211 203 L HN 0.410 nan 8.230 nan 0.000 0.422 204 I N 6.284 126.950 120.570 0.159 0.000 2.396 204 I HA 0.446 4.617 4.170 0.001 0.000 0.292 204 I C -0.712 175.542 176.117 0.228 0.000 0.999 204 I CA -0.447 60.954 61.300 0.169 0.000 1.310 204 I CB 0.950 39.019 38.000 0.115 0.000 1.404 204 I HN 0.671 nan 8.210 nan 0.000 0.496 205 Y N 1.908 122.211 120.300 0.005 0.000 2.677 205 Y HA 0.677 5.227 4.550 0.001 0.000 0.334 205 Y C -1.225 174.670 175.900 -0.010 0.000 1.196 205 Y CA -1.094 57.002 58.100 -0.008 0.000 1.059 205 Y CB 0.983 39.448 38.460 0.008 0.000 1.315 205 Y HN 0.354 nan 8.280 nan 0.000 0.455 206 S N 1.926 117.635 115.700 0.015 0.000 2.503 206 S HA 0.717 5.188 4.470 0.001 0.000 0.301 206 S C -0.968 173.730 174.600 0.164 0.000 1.087 206 S CA -0.722 57.407 58.200 -0.117 0.000 1.042 206 S CB 1.206 64.050 63.200 -0.593 0.000 1.043 206 S HN 0.556 nan 8.310 nan 0.000 0.489 207 I N 2.113 122.847 120.570 0.273 0.000 2.418 207 I HA 0.221 4.392 4.170 0.001 0.000 0.287 207 I C 0.963 177.318 176.117 0.396 0.000 1.008 207 I CA -0.412 61.077 61.300 0.315 0.000 1.104 207 I CB 2.111 40.249 38.000 0.230 0.000 1.264 207 I HN 0.650 nan 8.210 nan 0.000 0.438 208 T N 1.319 116.056 114.554 0.304 0.000 2.857 208 T HA -0.137 4.214 4.350 0.001 0.000 0.266 208 T C 1.944 176.675 174.700 0.052 0.000 1.048 208 T CA 1.593 63.792 62.100 0.166 0.000 1.139 208 T CB -0.125 68.778 68.868 0.058 0.000 0.874 208 T HN 0.759 nan 8.240 nan 0.000 0.455 209 S N 2.310 118.051 115.700 0.068 0.000 2.382 209 S HA -0.143 4.327 4.470 0.001 0.000 0.228 209 S C 2.141 176.763 174.600 0.036 0.000 1.027 209 S CA 1.596 59.819 58.200 0.039 0.000 0.991 209 S CB -1.052 62.176 63.200 0.047 0.000 0.823 209 S HN 0.691 nan 8.310 nan 0.000 0.469 210 T N -1.749 112.840 114.554 0.060 0.000 3.069 210 T HA 0.308 4.659 4.350 0.001 0.000 0.252 210 T C 0.354 175.081 174.700 0.046 0.000 1.053 210 T CA -0.080 62.049 62.100 0.049 0.000 0.964 210 T CB -0.955 67.947 68.868 0.056 0.000 1.005 210 T HN 0.544 nan 8.240 nan 0.000 0.532 211 N N 1.256 119.983 118.700 0.044 0.000 2.714 211 N HA -0.134 4.606 4.740 0.001 0.000 0.253 211 N C -1.140 174.499 175.510 0.215 0.000 1.024 211 N CA 0.262 53.295 53.050 -0.029 0.000 0.726 211 N CB -0.891 37.497 38.487 -0.165 0.000 0.908 211 N HN 0.459 nan 8.380 nan 0.000 0.542 212 S N -0.005 115.875 115.700 0.300 0.000 2.536 212 S HA 0.564 5.035 4.470 0.001 0.000 0.298 212 S C 0.122 174.811 174.600 0.148 0.000 1.083 212 S CA -0.756 57.557 58.200 0.188 0.000 0.995 212 S CB 3.023 66.258 63.200 0.059 0.000 1.058 212 S HN 0.076 nan 8.310 nan 0.000 0.488 213 V N 3.389 123.355 119.914 0.086 0.000 2.350 213 V HA 0.425 4.546 4.120 0.001 0.000 0.276 213 V C -0.663 175.364 176.094 -0.111 0.000 1.028 213 V CA -0.504 61.784 62.300 -0.020 0.000 0.860 213 V CB 0.617 32.530 31.823 0.149 0.000 0.990 213 V HN 0.618 nan 8.190 nan 0.000 0.453 214 L N 5.532 126.540 121.223 -0.359 0.000 2.331 214 L HA 0.748 5.089 4.340 0.001 0.000 0.268 214 L C -0.395 176.312 176.870 -0.272 0.000 1.015 214 L CA -0.283 54.303 54.840 -0.422 0.000 0.807 214 L CB 1.534 43.179 42.059 -0.690 0.000 1.293 214 L HN 0.670 nan 8.230 nan 0.000 0.451 215 F N -1.978 117.860 119.950 -0.187 0.000 2.588 215 F HA 0.846 5.373 4.527 0.001 0.000 0.310 215 F C -0.599 175.222 175.800 0.034 0.000 1.082 215 F CA -0.819 57.148 58.000 -0.055 0.000 0.929 215 F CB 1.827 40.805 39.000 -0.037 0.000 1.254 215 F HN 0.230 nan 8.300 nan 0.000 0.455 216 S N 4.152 119.941 115.700 0.148 0.000 2.605 216 S HA 0.595 5.065 4.470 0.001 0.000 0.308 216 S C -0.938 173.772 174.600 0.183 0.000 1.113 216 S CA -0.656 57.587 58.200 0.073 0.000 1.049 216 S CB 1.387 64.555 63.200 -0.052 0.000 1.001 216 S HN 0.861 nan 8.310 nan 0.000 0.480 217 M N 3.839 123.586 119.600 0.244 0.000 2.364 217 M HA 0.758 5.239 4.480 0.001 0.000 0.334 217 M C 0.148 176.527 176.300 0.130 0.000 1.107 217 M CA 0.139 55.560 55.300 0.201 0.000 0.988 217 M CB 1.080 33.829 32.600 0.248 0.000 1.673 217 M HN 0.826 nan 8.290 nan 0.000 0.441 218 G N 2.870 111.728 108.800 0.097 0.000 2.593 218 G HA2 0.276 4.237 3.960 0.001 0.000 0.103 218 G HA3 0.276 4.237 3.960 0.001 0.000 0.103 218 G C -1.832 173.107 174.900 0.065 0.000 1.103 218 G CA -0.544 44.604 45.100 0.080 0.000 1.109 218 G HN 0.542 nan 8.290 nan 0.000 0.516 219 E N 0.174 120.411 120.200 0.062 0.000 2.290 219 E HA 0.377 4.727 4.350 0.001 0.000 0.274 219 E C -1.140 175.492 176.600 0.054 0.000 0.889 219 E CA -0.561 55.870 56.400 0.052 0.000 0.760 219 E CB 2.657 32.383 29.700 0.044 0.000 1.206 219 E HN 0.422 nan 8.360 nan 0.000 0.419 220 L N 3.000 124.253 121.223 0.050 0.000 2.385 220 L HA 0.207 4.548 4.340 0.001 0.000 0.281 220 L C -0.168 176.725 176.870 0.039 0.000 1.106 220 L CA 0.574 55.444 54.840 0.049 0.000 0.856 220 L CB 0.126 42.214 42.059 0.049 0.000 1.186 220 L HN 0.220 nan 8.230 nan 0.000 0.453 221 K N 4.602 125.024 120.400 0.036 0.000 2.535 221 K HA 0.247 4.568 4.320 0.001 0.000 0.250 221 K C -0.521 176.091 176.600 0.021 0.000 0.948 221 K CA -0.691 55.613 56.287 0.027 0.000 0.796 221 K CB 1.922 34.439 32.500 0.027 0.000 1.216 221 K HN 0.523 nan 8.250 nan 0.000 0.432 222 E N 0.651 120.859 120.200 0.013 0.000 2.637 222 E HA -0.249 4.101 4.350 0.001 0.000 0.265 222 E C 0.377 176.977 176.600 -0.001 0.000 1.073 222 E CA 0.602 57.005 56.400 0.005 0.000 0.778 222 E CB -1.538 28.166 29.700 0.007 0.000 1.362 222 E HN 1.186 nan 8.360 nan 0.000 0.413 223 G N 0.040 108.839 108.800 -0.001 0.000 2.153 223 G HA2 -0.331 3.630 3.960 0.001 0.000 0.252 223 G HA3 -0.331 3.630 3.960 0.001 0.000 0.252 223 G C -0.044 174.861 174.900 0.008 0.000 0.994 223 G CA 0.866 45.959 45.100 -0.011 0.000 0.698 223 G HN 0.132 nan 8.290 nan 0.000 0.521 224 K N -0.548 119.869 120.400 0.028 0.000 2.513 224 K HA 0.440 4.760 4.320 0.001 0.000 0.251 224 K C -0.705 175.940 176.600 0.074 0.000 0.939 224 K CA -1.128 55.190 56.287 0.051 0.000 0.793 224 K CB 2.275 34.797 32.500 0.038 0.000 1.241 224 K HN 0.219 nan 8.250 nan 0.000 0.431 225 L N 3.711 125.003 121.223 0.116 0.000 2.485 225 L HA 0.109 4.450 4.340 0.001 0.000 0.279 225 L C -0.186 176.765 176.870 0.134 0.000 1.124 225 L CA 0.472 55.388 54.840 0.127 0.000 0.888 225 L CB -0.451 41.700 42.059 0.153 0.000 1.217 225 L HN 0.408 nan 8.230 nan 0.000 0.464 226 N N 4.638 123.394 118.700 0.094 0.000 2.399 226 N HA 0.108 4.848 4.740 0.001 0.000 0.259 226 N C -0.824 174.743 175.510 0.094 0.000 1.160 226 N CA -0.425 52.675 53.050 0.084 0.000 0.946 226 N CB 0.901 39.424 38.487 0.060 0.000 1.156 226 N HN 0.372 nan 8.380 nan 0.000 0.489 227 V N 2.908 122.891 119.914 0.114 0.000 2.488 227 V HA 0.026 4.147 4.120 0.001 0.000 0.277 227 V C 1.091 177.239 176.094 0.091 0.000 1.046 227 V CA 0.209 62.581 62.300 0.121 0.000 0.986 227 V CB 1.268 33.189 31.823 0.164 0.000 0.989 227 V HN 0.702 nan 8.190 nan 0.000 0.475 228 E N 2.991 123.245 120.200 0.089 0.000 2.206 228 E HA 0.195 4.545 4.350 0.001 0.000 0.195 228 E C 0.005 176.653 176.600 0.080 0.000 0.935 228 E CA 0.403 56.850 56.400 0.077 0.000 0.875 228 E CB 0.480 30.225 29.700 0.074 0.000 0.841 228 E HN 0.569 nan 8.360 nan 0.000 0.477 229 K N 0.779 121.239 120.400 0.100 0.000 2.498 229 K HA 0.510 4.831 4.320 0.001 0.000 0.254 229 K C -0.846 175.774 176.600 0.033 0.000 0.933 229 K CA -0.511 55.834 56.287 0.097 0.000 0.806 229 K CB 2.883 35.480 32.500 0.162 0.000 1.301 229 K HN -0.138 nan 8.250 nan 0.000 0.432 230 R N -0.060 120.373 120.500 -0.112 0.000 2.892 230 R HA 0.779 5.120 4.340 0.001 0.000 0.265 230 R C -0.252 175.622 176.300 -0.710 0.000 1.025 230 R CA -0.703 55.159 56.100 -0.398 0.000 0.982 230 R CB 2.116 32.315 30.300 -0.168 0.000 1.185 230 R HN 0.863 nan 8.270 nan 0.000 0.484 231 G N 0.370 108.475 108.800 -1.158 0.000 2.325 231 G HA2 0.280 4.241 3.960 0.001 0.000 0.295 231 G HA3 0.280 4.241 3.960 0.001 0.000 0.295 231 G C -1.939 172.650 174.900 -0.518 0.000 1.274 231 G CA -0.925 43.742 45.100 -0.723 0.000 0.857 231 G HN 0.301 nan 8.290 nan 0.000 0.499 232 L N 0.791 121.911 121.223 -0.172 0.000 2.325 232 L HA 0.481 4.821 4.340 0.001 0.000 0.278 232 L C 1.350 178.206 176.870 -0.024 0.000 1.023 232 L CA -0.855 53.866 54.840 -0.199 0.000 0.811 232 L CB 1.991 43.736 42.059 -0.523 0.000 1.249 232 L HN 0.445 nan 8.230 nan 0.000 0.431 233 L N 0.801 122.030 121.223 0.009 0.000 2.313 233 L HA 0.094 4.435 4.340 0.001 0.000 0.214 233 L C 0.202 176.887 176.870 -0.309 0.000 1.119 233 L CA 1.160 55.971 54.840 -0.048 0.000 0.809 233 L CB 0.091 42.190 42.059 0.067 0.000 0.933 233 L HN 0.711 nan 8.230 nan 0.000 0.449 234 D N -2.494 117.651 120.400 -0.425 0.000 2.837 234 D HA 0.135 4.776 4.640 0.001 0.000 0.220 234 D C -0.538 175.407 176.300 -0.592 0.000 1.236 234 D CA -0.428 53.235 54.000 -0.562 0.000 0.838 234 D CB 1.391 41.718 40.800 -0.788 0.000 1.647 234 D HN -0.009 nan 8.370 nan 0.000 0.486 235 H N 0.554 119.267 119.070 -0.595 0.000 2.652 235 H HA 0.322 4.878 4.556 0.001 0.000 0.274 235 H C 1.057 176.074 175.328 -0.518 0.000 1.021 235 H CA -0.062 55.569 56.048 -0.695 0.000 1.187 235 H CB 1.282 30.226 29.762 -1.363 0.000 1.505 235 H HN 0.321 nan 8.280 nan 0.000 0.530 236 G N -0.355 108.194 108.800 -0.418 0.000 2.531 236 G HA2 0.146 4.107 3.960 0.001 0.000 0.281 236 G HA3 0.146 4.107 3.960 0.001 0.000 0.281 236 G C 1.170 175.803 174.900 -0.444 0.000 1.382 236 G CA 0.135 44.816 45.100 -0.699 0.000 1.045 236 G HN 0.316 nan 8.290 nan 0.000 0.533 237 T N -3.135 111.108 114.554 -0.518 0.000 3.057 237 T HA 0.140 4.490 4.350 0.001 0.000 0.254 237 T C 0.109 174.752 174.700 -0.094 0.000 1.094 237 T CA 0.886 62.908 62.100 -0.130 0.000 1.088 237 T CB 0.146 69.063 68.868 0.081 0.000 0.934 237 T HN 0.289 nan 8.240 nan 0.000 0.497 238 D N 0.464 120.783 120.400 -0.136 0.000 2.513 238 D HA 0.473 5.114 4.640 0.001 0.000 0.295 238 D C -1.725 174.563 176.300 -0.020 0.000 1.202 238 D CA -0.374 53.557 54.000 -0.115 0.000 0.849 238 D CB 0.487 41.206 40.800 -0.136 0.000 1.116 238 D HN 0.307 nan 8.370 nan 0.000 0.502 239 F N 2.492 122.367 119.950 -0.125 0.000 2.730 239 F HA 0.499 5.026 4.527 0.001 0.000 0.335 239 F C -2.074 173.791 175.800 0.108 0.000 1.212 239 F CA -0.778 57.195 58.000 -0.045 0.000 1.016 239 F CB 0.980 39.933 39.000 -0.079 0.000 1.290 239 F HN 0.036 nan 8.300 nan 0.000 0.495 240 Y N 4.044 124.108 120.300 -0.394 0.000 2.597 240 Y HA 0.557 5.108 4.550 0.001 0.000 0.340 240 Y C 0.060 175.871 175.900 -0.149 0.000 1.097 240 Y CA -0.710 57.303 58.100 -0.145 0.000 1.037 240 Y CB 2.267 40.769 38.460 0.069 0.000 1.305 240 Y HN 0.952 nan 8.280 nan 0.000 0.463 241 A N 1.633 124.005 122.820 -0.746 0.000 2.687 241 A HA 0.037 4.358 4.320 0.001 0.000 0.299 241 A C 0.176 177.586 177.584 -0.291 0.000 1.497 241 A CA 0.832 52.605 52.037 -0.441 0.000 0.751 241 A CB -2.092 16.820 19.000 -0.145 0.000 1.048 241 A HN 1.728 nan 8.150 nan 0.000 0.464 242 A N -0.634 121.995 122.820 -0.318 0.000 2.462 242 A HA 0.546 4.866 4.320 0.001 0.000 0.243 242 A C 0.380 177.913 177.584 -0.085 0.000 1.076 242 A CA 1.088 53.004 52.037 -0.202 0.000 0.773 242 A CB 0.321 19.288 19.000 -0.054 0.000 1.010 242 A HN 1.262 nan 8.150 nan 0.000 0.493 243 Q N -0.101 119.670 119.800 -0.048 0.000 2.421 243 Q HA 0.592 4.932 4.340 0.001 0.000 0.280 243 Q C -0.622 175.393 176.000 0.024 0.000 1.085 243 Q CA -0.540 55.249 55.803 -0.023 0.000 0.807 243 Q CB 2.070 30.757 28.738 -0.085 0.000 1.405 243 Q HN 0.892 nan 8.270 nan 0.000 0.419 244 T N -1.144 113.452 114.554 0.071 0.000 2.918 244 T HA 0.589 4.940 4.350 0.001 0.000 0.286 244 T C -0.423 174.378 174.700 0.169 0.000 1.026 244 T CA -0.526 61.672 62.100 0.164 0.000 1.031 244 T CB 0.514 69.500 68.868 0.197 0.000 1.046 244 T HN 0.316 nan 8.240 nan 0.000 0.479 245 F N 1.655 121.746 119.950 0.234 0.000 2.484 245 F HA 0.411 4.938 4.527 0.000 0.000 0.360 245 F C 0.453 176.450 175.800 0.327 0.000 1.101 245 F CA -0.945 57.244 58.000 0.315 0.000 1.251 245 F CB 0.342 39.556 39.000 0.358 0.000 1.132 245 F HN 0.592 nan 8.300 nan 0.000 0.570 246 F N 2.017 122.206 119.950 0.398 0.000 2.418 246 F HA 0.476 5.003 4.527 -0.000 0.000 0.341 246 F C 0.992 177.040 175.800 0.413 0.000 1.120 246 F CA 0.388 58.600 58.000 0.354 0.000 1.232 246 F CB 0.965 40.153 39.000 0.313 0.000 1.175 246 F HN 0.672 nan 8.300 nan 0.000 0.569 247 G N 2.450 111.052 108.800 -0.331 0.000 2.141 247 G HA2 -0.200 3.761 3.960 0.001 0.000 0.242 247 G HA3 -0.200 3.761 3.960 0.001 0.000 0.242 247 G C -0.063 174.891 174.900 0.091 0.000 0.982 247 G CA 0.181 45.241 45.100 -0.067 0.000 0.662 247 G HN 1.101 nan 8.290 nan 0.000 0.527 248 T N -3.157 111.417 114.554 0.033 0.000 2.942 248 T HA 0.668 5.019 4.350 0.001 0.000 0.289 248 T C 0.634 175.299 174.700 -0.058 0.000 1.044 248 T CA 0.296 62.368 62.100 -0.047 0.000 1.023 248 T CB 2.446 71.307 68.868 -0.011 0.000 1.123 248 T HN -0.085 nan 8.240 nan 0.000 0.512 249 D N 0.358 120.705 120.400 -0.087 0.000 2.085 249 D HA -0.010 4.630 4.640 0.001 0.000 0.199 249 D C 0.761 177.040 176.300 -0.034 0.000 0.981 249 D CA 0.960 54.923 54.000 -0.061 0.000 0.834 249 D CB 0.024 40.780 40.800 -0.074 0.000 0.992 249 D HN 0.497 nan 8.370 nan 0.000 0.457 250 R N -0.255 120.221 120.500 -0.040 0.000 2.738 250 R HA 0.321 4.662 4.340 0.001 0.000 0.268 250 R C -0.379 175.943 176.300 0.037 0.000 1.062 250 R CA -0.492 55.601 56.100 -0.011 0.000 1.158 250 R CB 1.095 31.372 30.300 -0.038 0.000 1.046 250 R HN -0.096 nan 8.270 nan 0.000 0.493 251 V N 3.266 123.218 119.914 0.064 0.000 2.408 251 V HA 0.154 4.275 4.120 0.001 0.000 0.267 251 V C -0.066 176.105 176.094 0.129 0.000 1.047 251 V CA -0.315 62.050 62.300 0.109 0.000 0.937 251 V CB 1.175 33.056 31.823 0.097 0.000 0.999 251 V HN 0.402 nan 8.190 nan 0.000 0.472 252 V N 5.988 126.021 119.914 0.199 0.000 2.448 252 V HA 0.503 4.623 4.120 0.001 0.000 0.295 252 V C -0.157 176.156 176.094 0.366 0.000 1.025 252 V CA -0.611 61.825 62.300 0.226 0.000 0.859 252 V CB 1.998 33.900 31.823 0.132 0.000 0.988 252 V HN 0.581 nan 8.190 nan 0.000 0.431 253 V N 6.991 127.079 119.914 0.290 0.000 2.555 253 V HA 0.662 4.782 4.120 0.001 0.000 0.302 253 V C -0.637 175.647 176.094 0.317 0.000 1.038 253 V CA -0.398 62.073 62.300 0.286 0.000 0.887 253 V CB 1.815 33.788 31.823 0.250 0.000 0.991 253 V HN 0.773 nan 8.190 nan 0.000 0.434 254 I N 5.288 126.009 120.570 0.250 0.000 2.608 254 I HA 0.743 4.914 4.170 0.001 0.000 0.295 254 I C 0.417 176.559 176.117 0.042 0.000 1.049 254 I CA -0.487 60.939 61.300 0.209 0.000 1.063 254 I CB 2.227 40.330 38.000 0.172 0.000 1.248 254 I HN 0.744 nan 8.210 nan 0.000 0.424 255 G N 2.896 111.657 108.800 -0.065 0.000 2.600 255 G HA2 0.395 4.355 3.960 0.001 0.000 0.303 255 G HA3 0.395 4.355 3.960 0.001 0.000 0.303 255 G C -2.118 172.656 174.900 -0.210 0.000 1.253 255 G CA -0.521 44.278 45.100 -0.502 0.000 0.974 255 G HN 0.531 nan 8.290 nan 0.000 0.483 256 W N 1.940 123.008 121.300 -0.387 0.000 2.368 256 W HA 0.322 4.983 4.660 0.001 0.000 0.316 256 W C 0.275 176.667 176.519 -0.212 0.000 1.375 256 W CA -0.993 56.203 57.345 -0.249 0.000 1.261 256 W CB 0.639 29.973 29.460 -0.211 0.000 1.298 256 W HN 0.205 nan 8.180 nan 0.000 0.539 257 L N 7.328 128.406 121.223 -0.240 0.000 2.533 257 L HA 0.160 4.501 4.340 0.001 0.000 0.239 257 L C -0.050 176.474 176.870 -0.576 0.000 1.376 257 L CA 0.461 55.126 54.840 -0.293 0.000 1.240 257 L CB -0.803 41.144 42.059 -0.187 0.000 1.487 257 L HN 0.638 nan 8.230 nan 0.000 0.419 258 Q N 0.288 119.554 119.800 -0.891 0.000 2.829 258 Q HA 0.312 4.653 4.340 0.001 0.000 0.296 258 Q C -1.599 173.769 176.000 -1.054 0.000 0.893 258 Q CA -0.566 54.589 55.803 -1.080 0.000 0.772 258 Q CB 2.088 29.764 28.738 -1.769 0.000 1.489 258 Q HN 0.256 nan 8.270 nan 0.000 0.420 259 S N -0.496 114.738 115.700 -0.777 0.000 2.541 259 S HA 0.413 4.884 4.470 0.001 0.000 0.280 259 S C -0.404 173.956 174.600 -0.400 0.000 1.112 259 S CA -0.494 57.385 58.200 -0.534 0.000 0.925 259 S CB 0.615 63.661 63.200 -0.256 0.000 1.067 259 S HN 0.786 nan 8.310 nan 0.000 0.479 260 W N 2.422 123.658 121.300 -0.106 0.000 2.338 260 W HA -0.020 4.640 4.660 0.001 0.000 0.304 260 W C 2.012 178.477 176.519 -0.090 0.000 1.212 260 W CA 0.685 58.034 57.345 0.006 0.000 1.264 260 W CB -0.375 29.054 29.460 -0.052 0.000 1.142 260 W HN 0.625 nan 8.180 nan 0.000 0.512 261 L N -0.171 121.094 121.223 0.069 0.000 2.079 261 L HA -0.181 4.159 4.340 0.001 0.000 0.210 261 L C 2.196 179.010 176.870 -0.092 0.000 1.081 261 L CA 1.448 56.282 54.840 -0.010 0.000 0.752 261 L CB -0.664 41.377 42.059 -0.030 0.000 0.896 261 L HN -0.019 nan 8.230 nan 0.000 0.433 262 R N -1.520 118.859 120.500 -0.201 0.000 2.362 262 R HA 0.082 4.423 4.340 0.001 0.000 0.227 262 R C 1.969 177.820 176.300 -0.748 0.000 0.905 262 R CA 0.108 55.955 56.100 -0.422 0.000 1.067 262 R CB 0.125 30.176 30.300 -0.414 0.000 1.078 262 R HN 0.184 nan 8.270 nan 0.000 0.516 263 T N 0.349 114.660 114.554 -0.404 0.000 2.720 263 T HA -0.147 4.204 4.350 0.001 0.000 0.268 263 T C 1.821 176.390 174.700 -0.218 0.000 1.037 263 T CA 1.859 63.805 62.100 -0.256 0.000 1.144 263 T CB -0.233 68.733 68.868 0.164 0.000 0.864 263 T HN 0.512 nan 8.240 nan 0.000 0.444 264 G N 0.580 109.292 108.800 -0.147 0.000 2.625 264 G HA2 -0.000 3.960 3.960 0.001 0.000 0.214 264 G HA3 -0.000 3.960 3.960 0.001 0.000 0.214 264 G C 1.251 176.072 174.900 -0.132 0.000 1.132 264 G CA 0.202 45.246 45.100 -0.093 0.000 0.782 264 G HN 0.477 nan 8.290 nan 0.000 0.538 265 L N -0.903 120.165 121.223 -0.259 0.000 2.567 265 L HA 0.294 4.634 4.340 0.001 0.000 0.225 265 L C 0.418 177.280 176.870 -0.013 0.000 1.119 265 L CA -0.211 54.533 54.840 -0.161 0.000 0.871 265 L CB -0.079 41.870 42.059 -0.183 0.000 1.036 265 L HN 0.187 nan 8.230 nan 0.000 0.459 266 Y N 1.003 121.216 120.300 -0.144 0.000 2.352 266 Y HA 0.251 4.802 4.550 0.001 0.000 0.326 266 Y C -1.387 174.266 175.900 -0.412 0.000 1.166 266 Y CA -2.235 55.666 58.100 -0.331 0.000 1.182 266 Y CB 1.174 39.438 38.460 -0.327 0.000 1.216 266 Y HN -0.141 nan 8.280 nan 0.000 0.474 267 P HA 0.002 nan 4.420 nan 0.000 0.268 267 P C 1.048 178.110 177.300 -0.395 0.000 1.329 267 P CA 0.422 63.306 63.100 -0.361 0.000 0.899 267 P CB 0.068 31.568 31.700 -0.333 0.000 1.378 268 T N -1.231 112.958 114.554 -0.609 0.000 2.962 268 T HA -0.136 4.214 4.350 0.001 0.000 0.270 268 T C 1.706 176.035 174.700 -0.617 0.000 1.088 268 T CA 0.881 62.530 62.100 -0.751 0.000 1.127 268 T CB -0.685 67.328 68.868 -1.426 0.000 0.883 268 T HN 0.292 nan 8.240 nan 0.000 0.493 269 K N 1.126 121.313 120.400 -0.356 0.000 2.209 269 K HA -0.085 4.235 4.320 0.001 0.000 0.204 269 K C 2.529 179.072 176.600 -0.095 0.000 1.048 269 K CA 0.847 57.031 56.287 -0.172 0.000 0.940 269 K CB -0.357 32.113 32.500 -0.050 0.000 0.729 269 K HN 0.282 nan 8.250 nan 0.000 0.451 270 R N 1.451 121.898 120.500 -0.088 0.000 2.152 270 R HA -0.098 4.242 4.340 0.001 0.000 0.232 270 R C 1.138 177.445 176.300 0.012 0.000 1.117 270 R CA 1.518 57.606 56.100 -0.020 0.000 0.981 270 R CB 0.061 30.361 30.300 -0.000 0.000 0.870 270 R HN 0.448 nan 8.270 nan 0.000 0.451 271 E N -1.396 118.799 120.200 -0.007 0.000 2.478 271 E HA 0.058 4.409 4.350 0.001 0.000 0.194 271 E C 0.709 177.434 176.600 0.209 0.000 1.045 271 E CA 0.453 56.926 56.400 0.121 0.000 0.868 271 E CB 0.565 30.416 29.700 0.251 0.000 0.885 271 E HN 0.590 nan 8.360 nan 0.000 0.505 272 G N 1.351 110.217 108.800 0.109 0.000 2.159 272 G HA2 -0.186 3.775 3.960 0.001 0.000 0.227 272 G HA3 -0.186 3.775 3.960 0.001 0.000 0.227 272 G C -0.288 174.782 174.900 0.284 0.000 0.986 272 G CA 0.158 45.363 45.100 0.175 0.000 0.651 272 G HN 0.257 nan 8.290 nan 0.000 0.523 273 W N -0.400 120.964 121.300 0.106 0.000 3.062 273 W HA 0.786 5.447 4.660 0.002 0.000 0.336 273 W C -1.019 175.568 176.519 0.114 0.000 1.224 273 W CA -1.530 55.891 57.345 0.127 0.000 1.159 273 W CB 0.783 30.320 29.460 0.128 0.000 1.454 273 W HN 0.088 nan 8.180 nan 0.000 0.569 274 N N -0.036 118.836 118.700 0.286 0.000 2.406 274 N HA 0.509 5.250 4.740 0.001 0.000 0.283 274 N C -0.832 174.722 175.510 0.073 0.000 1.074 274 N CA 0.138 53.199 53.050 0.019 0.000 0.916 274 N CB 2.013 40.604 38.487 0.172 0.000 1.639 274 N HN 1.071 nan 8.380 nan 0.000 0.485 275 G N 0.559 109.398 108.800 0.065 0.000 2.906 275 G HA2 0.074 4.034 3.960 0.001 0.000 0.686 275 G HA3 0.074 4.034 3.960 0.001 0.000 0.686 275 G C -1.701 173.352 174.900 0.255 0.000 1.170 275 G CA -0.764 44.417 45.100 0.135 0.000 0.775 275 G HN 0.504 nan 8.290 nan 0.000 0.630 276 V N 3.618 123.620 119.914 0.147 0.000 2.971 276 V HA 0.791 4.912 4.120 0.001 0.000 0.309 276 V C 0.061 176.218 176.094 0.105 0.000 1.130 276 V CA -1.229 61.135 62.300 0.106 0.000 0.964 276 V CB 2.113 33.934 31.823 -0.004 0.000 1.029 276 V HN 0.869 nan 8.190 nan 0.000 0.427 277 M N 2.446 122.129 119.600 0.138 0.000 2.367 277 M HA 0.455 4.936 4.480 0.001 0.000 0.339 277 M C 0.512 176.889 176.300 0.129 0.000 1.177 277 M CA -0.141 55.236 55.300 0.127 0.000 1.068 277 M CB 1.628 34.282 32.600 0.091 0.000 1.602 277 M HN 0.929 nan 8.290 nan 0.000 0.457 278 S N 1.958 117.741 115.700 0.138 0.000 2.589 278 S HA 0.408 4.878 4.470 0.001 0.000 0.265 278 S C 0.076 174.864 174.600 0.313 0.000 1.342 278 S CA -0.746 57.585 58.200 0.219 0.000 1.005 278 S CB 0.473 63.900 63.200 0.378 0.000 0.909 278 S HN 0.489 nan 8.310 nan 0.000 0.555 279 L N 2.199 123.634 121.223 0.353 0.000 2.483 279 L HA 0.350 4.691 4.340 0.001 0.000 0.276 279 L C -2.047 174.955 176.870 0.219 0.000 1.213 279 L CA -1.568 53.425 54.840 0.256 0.000 0.843 279 L CB -0.724 41.397 42.059 0.103 0.000 1.107 279 L HN 0.587 nan 8.230 nan 0.000 0.487 280 P HA 0.362 nan 4.420 nan 0.000 0.279 280 P C -1.238 176.100 177.300 0.065 0.000 1.239 280 P CA -0.473 62.719 63.100 0.152 0.000 0.789 280 P CB 0.807 32.568 31.700 0.101 0.000 0.933 281 R N 0.680 121.253 120.500 0.121 0.000 2.670 281 R HA 0.425 4.765 4.340 0.001 0.000 0.289 281 R C -0.201 176.145 176.300 0.078 0.000 0.965 281 R CA -0.797 55.349 56.100 0.076 0.000 0.899 281 R CB 1.420 31.813 30.300 0.154 0.000 1.173 281 R HN 0.428 nan 8.270 nan 0.000 0.456 282 E N 2.373 122.600 120.200 0.045 0.000 2.259 282 E HA 0.197 4.548 4.350 0.001 0.000 0.281 282 E C -0.911 175.785 176.600 0.161 0.000 1.027 282 E CA -0.646 55.798 56.400 0.073 0.000 0.838 282 E CB 0.666 30.369 29.700 0.005 0.000 1.066 282 E HN 0.175 nan 8.360 nan 0.000 0.401 283 L N 5.785 127.095 121.223 0.144 0.000 2.282 283 L HA 0.370 4.711 4.340 0.001 0.000 0.288 283 L C -0.815 176.165 176.870 0.183 0.000 1.033 283 L CA -0.477 54.430 54.840 0.112 0.000 0.807 283 L CB 0.447 42.525 42.059 0.032 0.000 1.209 283 L HN 0.458 nan 8.230 nan 0.000 0.423 284 Y N 1.484 121.756 120.300 -0.046 0.000 2.597 284 Y HA 0.822 5.373 4.550 0.001 0.000 0.340 284 Y C -1.256 174.617 175.900 -0.045 0.000 1.097 284 Y CA -1.652 56.425 58.100 -0.038 0.000 1.037 284 Y CB 1.051 39.494 38.460 -0.029 0.000 1.305 284 Y HN 0.102 nan 8.280 nan 0.000 0.463 285 V N 2.348 122.248 119.914 -0.024 0.000 2.398 285 V HA 0.530 4.651 4.120 0.001 0.000 0.286 285 V C -0.702 175.387 176.094 -0.008 0.000 1.026 285 V CA -0.582 61.661 62.300 -0.096 0.000 0.868 285 V CB 1.238 33.042 31.823 -0.030 0.000 0.982 285 V HN 0.840 nan 8.190 nan 0.000 0.443 286 E N 4.251 124.409 120.200 -0.070 0.000 2.291 286 E HA 0.331 4.682 4.350 0.001 0.000 0.276 286 E C -0.491 176.108 176.600 -0.001 0.000 0.896 286 E CA -0.611 55.801 56.400 0.021 0.000 0.774 286 E CB 1.057 30.819 29.700 0.104 0.000 1.227 286 E HN 0.707 nan 8.360 nan 0.000 0.413 287 N N 4.292 123.004 118.700 0.021 0.000 2.740 287 N HA -0.205 4.535 4.740 0.001 0.000 0.248 287 N C -0.742 174.778 175.510 0.017 0.000 1.062 287 N CA 1.109 54.171 53.050 0.020 0.000 0.704 287 N CB -1.083 37.418 38.487 0.023 0.000 0.968 287 N HN 0.807 nan 8.380 nan 0.000 0.547 288 N N -1.131 117.578 118.700 0.014 0.000 2.714 288 N HA -0.199 4.542 4.740 0.001 0.000 0.250 288 N C -0.802 174.721 175.510 0.021 0.000 1.117 288 N CA 1.479 54.542 53.050 0.021 0.000 0.719 288 N CB -0.749 37.757 38.487 0.032 0.000 1.081 288 N HN 0.693 nan 8.380 nan 0.000 0.557 289 E N 0.089 120.282 120.200 -0.011 0.000 2.248 289 E HA 0.374 4.724 4.350 0.001 0.000 0.267 289 E C -0.180 176.344 176.600 -0.127 0.000 0.877 289 E CA -0.789 55.599 56.400 -0.020 0.000 0.759 289 E CB 2.316 32.012 29.700 -0.006 0.000 1.182 289 E HN 0.038 nan 8.360 nan 0.000 0.418 290 L N 3.167 124.288 121.223 -0.170 0.000 2.360 290 L HA 0.274 4.615 4.340 0.001 0.000 0.276 290 L C -0.506 176.132 176.870 -0.387 0.000 1.121 290 L CA 0.307 54.919 54.840 -0.381 0.000 0.845 290 L CB 0.232 41.835 42.059 -0.760 0.000 1.143 290 L HN 0.450 nan 8.230 nan 0.000 0.452 291 K N 3.755 123.854 120.400 -0.502 0.000 2.328 291 K HA 0.656 4.976 4.320 0.001 0.000 0.246 291 K C -1.409 175.013 176.600 -0.298 0.000 0.955 291 K CA -0.835 55.170 56.287 -0.469 0.000 0.817 291 K CB 2.844 34.853 32.500 -0.818 0.000 1.208 291 K HN 0.291 nan 8.250 nan 0.000 0.432 292 V N 2.389 122.281 119.914 -0.037 0.000 2.531 292 V HA 0.424 4.544 4.120 0.001 0.000 0.301 292 V C -0.695 175.548 176.094 0.248 0.000 1.034 292 V CA -0.831 61.534 62.300 0.109 0.000 0.865 292 V CB 1.523 33.390 31.823 0.075 0.000 0.995 292 V HN 0.838 nan 8.190 nan 0.000 0.424 293 K N 4.010 124.549 120.400 0.233 0.000 2.512 293 K HA 0.768 5.088 4.320 0.001 0.000 0.263 293 K C -3.313 173.221 176.600 -0.111 0.000 0.966 293 K CA -2.199 54.163 56.287 0.124 0.000 0.851 293 K CB 2.537 35.115 32.500 0.130 0.000 1.395 293 K HN 0.295 nan 8.250 nan 0.000 0.440 294 P HA -0.039 nan 4.420 nan 0.000 0.268 294 P C -0.118 177.017 177.300 -0.274 0.000 1.205 294 P CA -0.596 62.176 63.100 -0.547 0.000 0.771 294 P CB 0.572 31.844 31.700 -0.714 0.000 0.858 295 V N 0.004 119.779 119.914 -0.232 0.000 2.872 295 V HA 0.036 4.156 4.120 0.001 0.000 0.307 295 V C 1.038 177.014 176.094 -0.198 0.000 1.072 295 V CA 0.217 62.401 62.300 -0.193 0.000 1.148 295 V CB 0.056 31.759 31.823 -0.199 0.000 0.954 295 V HN 0.411 nan 8.190 nan 0.000 0.490 296 D N 2.357 122.650 120.400 -0.178 0.000 2.221 296 D HA -0.146 4.495 4.640 0.001 0.000 0.204 296 D C 1.855 178.057 176.300 -0.164 0.000 0.982 296 D CA 1.825 55.730 54.000 -0.159 0.000 0.857 296 D CB 0.108 40.820 40.800 -0.145 0.000 0.934 296 D HN 0.886 nan 8.370 nan 0.000 0.475 297 E N 0.170 120.254 120.200 -0.194 0.000 2.265 297 E HA -0.099 4.251 4.350 0.001 0.000 0.196 297 E C 1.805 178.282 176.600 -0.205 0.000 0.996 297 E CA 0.067 56.344 56.400 -0.204 0.000 0.832 297 E CB -0.045 29.496 29.700 -0.265 0.000 0.756 297 E HN 0.102 nan 8.360 nan 0.000 0.491 298 L N 0.213 121.314 121.223 -0.204 0.000 2.265 298 L HA -0.134 4.206 4.340 0.001 0.000 0.215 298 L C 1.774 178.570 176.870 -0.123 0.000 1.117 298 L CA 1.365 56.097 54.840 -0.181 0.000 0.782 298 L CB -0.805 41.141 42.059 -0.189 0.000 0.914 298 L HN 0.272 nan 8.230 nan 0.000 0.441 299 L N -0.905 120.241 121.223 -0.129 0.000 2.187 299 L HA -0.216 4.124 4.340 0.001 0.000 0.213 299 L C 2.563 179.334 176.870 -0.164 0.000 1.100 299 L CA 1.053 55.800 54.840 -0.155 0.000 0.765 299 L CB -0.776 41.191 42.059 -0.155 0.000 0.904 299 L HN 0.273 nan 8.230 nan 0.000 0.437 300 A N 0.093 122.832 122.820 -0.134 0.000 2.070 300 A HA -0.133 4.187 4.320 0.001 0.000 0.220 300 A C 2.219 179.756 177.584 -0.079 0.000 1.159 300 A CA 1.184 53.166 52.037 -0.091 0.000 0.656 300 A CB -0.549 18.426 19.000 -0.043 0.000 0.800 300 A HN 0.410 nan 8.150 nan 0.000 0.453 301 L N -0.455 120.689 121.223 -0.132 0.000 2.275 301 L HA -0.067 4.273 4.340 0.001 0.000 0.215 301 L C 0.847 177.641 176.870 -0.127 0.000 1.119 301 L CA 0.219 54.973 54.840 -0.144 0.000 0.790 301 L CB -0.301 41.606 42.059 -0.254 0.000 0.919 301 L HN 0.283 nan 8.230 nan 0.000 0.443 302 R N 1.190 121.589 120.500 -0.169 0.000 2.421 302 R HA 0.073 4.413 4.340 0.001 0.000 0.305 302 R C 0.057 176.311 176.300 -0.078 0.000 1.039 302 R CA 0.028 56.013 56.100 -0.191 0.000 1.003 302 R CB 0.699 30.689 30.300 -0.517 0.000 0.959 302 R HN 0.044 nan 8.270 nan 0.000 0.427 303 K N 2.205 122.627 120.400 0.036 0.000 4.267 303 K HA 0.249 4.570 4.320 0.001 0.000 0.252 303 K C 0.504 177.199 176.600 0.158 0.000 1.021 303 K CA -0.492 55.837 56.287 0.069 0.000 1.869 303 K CB -0.191 32.344 32.500 0.059 0.000 3.055 303 K HN 0.337 nan 8.250 nan 0.000 0.788 304 R N 2.320 122.899 120.500 0.131 0.000 2.491 304 R HA 0.029 4.370 4.340 0.001 0.000 0.283 304 R C -0.040 176.336 176.300 0.127 0.000 1.072 304 R CA 0.130 56.298 56.100 0.113 0.000 1.048 304 R CB 0.421 30.755 30.300 0.058 0.000 0.983 304 R HN 0.193 nan 8.270 nan 0.000 0.450 305 K N 4.647 125.075 120.400 0.047 0.000 2.278 305 K HA 0.032 4.353 4.320 0.001 0.000 0.289 305 K C 1.138 177.637 176.600 -0.168 0.000 1.080 305 K CA -0.209 55.935 56.287 -0.237 0.000 0.934 305 K CB 0.587 32.881 32.500 -0.342 0.000 1.093 305 K HN 0.595 nan 8.250 nan 0.000 0.459 306 V N 2.874 122.704 119.914 -0.139 0.000 2.871 306 V HA 0.177 4.298 4.120 0.001 0.000 0.256 306 V C 0.268 176.357 176.094 -0.007 0.000 1.082 306 V CA 0.566 62.829 62.300 -0.063 0.000 1.105 306 V CB -0.712 31.078 31.823 -0.055 0.000 0.713 306 V HN 0.623 nan 8.190 nan 0.000 0.473 307 F N 0.962 120.749 119.950 -0.271 0.000 2.665 307 F HA 0.665 5.193 4.527 0.001 0.000 0.308 307 F C -1.187 174.424 175.800 -0.316 0.000 1.112 307 F CA -0.473 57.362 58.000 -0.274 0.000 0.972 307 F CB 1.667 40.502 39.000 -0.275 0.000 1.295 307 F HN 0.394 nan 8.300 nan 0.000 0.440 308 E N 2.348 121.759 120.200 -1.315 0.000 2.392 308 E HA 0.593 4.944 4.350 0.001 0.000 0.279 308 E C -1.943 173.875 176.600 -1.303 0.000 0.964 308 E CA -1.015 54.734 56.400 -1.086 0.000 0.777 308 E CB 2.482 31.850 29.700 -0.554 0.000 1.249 308 E HN 0.627 nan 8.360 nan 0.000 0.449 309 T N -0.276 113.795 114.554 -0.805 0.000 2.932 309 T HA 0.621 4.972 4.350 0.001 0.000 0.318 309 T C -1.315 173.246 174.700 -0.230 0.000 1.265 309 T CA 0.075 61.855 62.100 -0.534 0.000 1.036 309 T CB 1.657 70.173 68.868 -0.586 0.000 1.209 309 T HN 0.720 nan 8.240 nan 0.000 0.484 310 A N 3.314 126.053 122.820 -0.134 0.000 2.637 310 A HA 0.595 4.915 4.320 0.001 0.000 0.293 310 A C 0.292 177.883 177.584 0.012 0.000 1.216 310 A CA -0.197 51.811 52.037 -0.047 0.000 0.956 310 A CB -0.050 18.922 19.000 -0.048 0.000 1.174 310 A HN 0.578 nan 8.150 nan 0.000 0.525 311 K N -0.290 120.140 120.400 0.049 0.000 2.502 311 K HA 0.521 4.841 4.320 0.001 0.000 0.257 311 K C -0.657 176.073 176.600 0.218 0.000 0.938 311 K CA -0.490 55.869 56.287 0.119 0.000 0.819 311 K CB 2.061 34.641 32.500 0.134 0.000 1.333 311 K HN 0.204 nan 8.250 nan 0.000 0.434 312 S N 0.300 116.102 115.700 0.171 0.000 2.579 312 S HA 0.654 5.125 4.470 0.001 0.000 0.275 312 S C 0.101 174.801 174.600 0.168 0.000 1.345 312 S CA 0.199 58.498 58.200 0.165 0.000 1.031 312 S CB 1.207 64.449 63.200 0.071 0.000 0.892 312 S HN 0.831 nan 8.310 nan 0.000 0.529 313 G N 0.622 109.439 108.800 0.028 0.000 2.341 313 G HA2 0.378 4.338 3.960 0.001 0.000 0.293 313 G HA3 0.378 4.338 3.960 0.001 0.000 0.293 313 G C -1.506 172.953 174.900 -0.736 0.000 1.298 313 G CA -0.836 44.023 45.100 -0.401 0.000 0.868 313 G HN 0.638 nan 8.290 nan 0.000 0.540 314 T N 0.596 114.585 114.554 -0.941 0.000 2.807 314 T HA 0.720 5.071 4.350 0.001 0.000 0.279 314 T C -1.277 172.880 174.700 -0.905 0.000 0.993 314 T CA -0.029 61.648 62.100 -0.705 0.000 0.970 314 T CB 0.850 69.508 68.868 -0.350 0.000 0.950 314 T HN 0.426 nan 8.240 nan 0.000 0.441 315 F N 1.857 121.710 119.950 -0.161 0.000 2.569 315 F HA 0.550 5.078 4.527 0.001 0.000 0.312 315 F C -0.437 175.191 175.800 -0.286 0.000 1.109 315 F CA -1.301 56.550 58.000 -0.248 0.000 0.919 315 F CB 1.349 40.040 39.000 -0.515 0.000 1.211 315 F HN 0.296 nan 8.300 nan 0.000 0.446 316 L N 4.330 125.532 121.223 -0.035 0.000 2.281 316 L HA 0.470 4.811 4.340 0.001 0.000 0.285 316 L C -0.800 175.988 176.870 -0.136 0.000 1.074 316 L CA -0.012 54.784 54.840 -0.073 0.000 0.817 316 L CB 0.201 42.243 42.059 -0.028 0.000 1.168 316 L HN 0.501 nan 8.230 nan 0.000 0.434 317 L N 4.141 125.257 121.223 -0.178 0.000 2.350 317 L HA 0.273 4.613 4.340 0.001 0.000 0.275 317 L C 0.082 176.894 176.870 -0.096 0.000 1.099 317 L CA -0.476 54.236 54.840 -0.214 0.000 0.808 317 L CB 0.899 42.783 42.059 -0.291 0.000 1.149 317 L HN 0.555 nan 8.230 nan 0.000 0.442 318 D N 2.917 123.278 120.400 -0.065 0.000 2.741 318 D HA 0.286 4.926 4.640 0.001 0.000 0.233 318 D C -0.779 175.512 176.300 -0.014 0.000 1.160 318 D CA -0.136 53.852 54.000 -0.020 0.000 1.003 318 D CB 0.129 40.929 40.800 0.001 0.000 1.064 318 D HN 0.207 nan 8.370 nan 0.000 0.503 319 V N -0.492 119.420 119.914 -0.004 0.000 2.735 319 V HA 0.554 4.674 4.120 0.001 0.000 0.310 319 V C 0.655 176.795 176.094 0.076 0.000 1.061 319 V CA -0.902 61.426 62.300 0.046 0.000 0.913 319 V CB 2.138 34.003 31.823 0.070 0.000 1.005 319 V HN -0.058 nan 8.190 nan 0.000 0.428 320 K N 1.552 122.004 120.400 0.087 0.000 2.353 320 K HA 0.308 4.629 4.320 0.001 0.000 0.195 320 K C 0.431 177.084 176.600 0.088 0.000 1.031 320 K CA 0.457 56.789 56.287 0.076 0.000 1.079 320 K CB 0.370 32.907 32.500 0.061 0.000 0.857 320 K HN 0.964 nan 8.250 nan 0.000 0.535 321 E N -0.815 119.458 120.200 0.123 0.000 2.445 321 E HA 0.223 4.574 4.350 0.001 0.000 0.279 321 E C -1.274 175.410 176.600 0.140 0.000 1.018 321 E CA -0.907 55.558 56.400 0.108 0.000 0.816 321 E CB 0.472 30.225 29.700 0.087 0.000 1.356 321 E HN -0.234 nan 8.360 nan 0.000 0.462 322 N N 0.787 119.513 118.700 0.044 0.000 2.895 322 N HA 0.148 4.888 4.740 0.001 0.000 0.277 322 N C -1.127 174.355 175.510 -0.047 0.000 1.185 322 N CA 0.152 53.156 53.050 -0.076 0.000 1.106 322 N CB 0.421 38.793 38.487 -0.192 0.000 1.422 322 N HN 0.415 nan 8.380 nan 0.000 0.521 323 S N 2.115 117.839 115.700 0.040 0.000 2.592 323 S HA 0.308 4.778 4.470 0.001 0.000 0.151 323 S C -1.546 173.210 174.600 0.260 0.000 1.280 323 S CA -0.725 57.602 58.200 0.211 0.000 1.187 323 S CB -0.461 62.900 63.200 0.267 0.000 1.471 323 S HN 0.427 nan 8.310 nan 0.000 0.409 324 Y N -0.274 120.137 120.300 0.185 0.000 2.689 324 Y HA 0.747 5.297 4.550 0.001 0.000 0.333 324 Y C -1.074 174.844 175.900 0.030 0.000 1.208 324 Y CA -1.185 56.969 58.100 0.090 0.000 1.055 324 Y CB 0.689 39.196 38.460 0.078 0.000 1.304 324 Y HN 0.300 nan 8.280 nan 0.000 0.455 325 E N 1.946 122.281 120.200 0.225 0.000 2.165 325 E HA 0.545 4.895 4.350 0.001 0.000 0.266 325 E C -1.538 175.141 176.600 0.132 0.000 0.889 325 E CA -0.776 55.591 56.400 -0.055 0.000 0.756 325 E CB 1.293 30.777 29.700 -0.360 0.000 1.131 325 E HN 0.719 nan 8.360 nan 0.000 0.411 326 I N 4.366 125.010 120.570 0.124 0.000 2.342 326 I HA 0.202 4.372 4.170 0.001 0.000 0.291 326 I C -0.534 175.651 176.117 0.113 0.000 1.010 326 I CA -0.793 60.596 61.300 0.149 0.000 1.308 326 I CB 1.426 39.550 38.000 0.207 0.000 1.400 326 I HN 0.252 nan 8.210 nan 0.000 0.488 327 V N 6.239 126.230 119.914 0.128 0.000 2.378 327 V HA 0.293 4.413 4.120 0.001 0.000 0.288 327 V C -0.473 175.706 176.094 0.142 0.000 1.016 327 V CA -0.499 61.886 62.300 0.143 0.000 0.840 327 V CB 1.529 33.460 31.823 0.179 0.000 0.994 327 V HN 0.874 nan 8.190 nan 0.000 0.431 328 C N 5.161 124.573 119.300 0.187 0.000 2.381 328 C HA 0.618 5.078 4.460 0.001 0.000 0.328 328 C C -0.289 174.873 174.990 0.287 0.000 1.190 328 C CA -0.377 58.771 59.018 0.218 0.000 1.369 328 C CB 0.549 28.428 27.740 0.232 0.000 2.029 328 C HN 1.030 nan 8.230 nan 0.000 0.448 329 E N 4.222 124.559 120.200 0.228 0.000 2.191 329 E HA 0.795 5.145 4.350 0.001 0.000 0.274 329 E C -1.027 175.749 176.600 0.293 0.000 0.948 329 E CA -0.438 56.072 56.400 0.183 0.000 0.802 329 E CB 1.262 31.003 29.700 0.068 0.000 1.137 329 E HN 0.663 nan 8.360 nan 0.000 0.397 330 F N -0.325 119.656 119.950 0.052 0.000 2.719 330 F HA 0.570 5.097 4.527 0.001 0.000 0.309 330 F C -1.441 174.393 175.800 0.056 0.000 1.138 330 F CA -0.968 57.066 58.000 0.058 0.000 0.943 330 F CB 1.159 40.205 39.000 0.078 0.000 1.304 330 F HN 0.158 nan 8.300 nan 0.000 0.445 331 S N 0.974 116.765 115.700 0.152 0.000 2.537 331 S HA 0.821 5.292 4.470 0.001 0.000 0.301 331 S C 0.322 175.054 174.600 0.220 0.000 1.092 331 S CA -0.099 58.138 58.200 0.061 0.000 1.048 331 S CB 1.175 64.403 63.200 0.047 0.000 1.053 331 S HN 1.831 nan 8.310 nan 0.000 0.501 332 G N 2.519 111.412 108.800 0.156 0.000 2.547 332 G HA2 -0.210 3.750 3.960 0.001 0.000 0.271 332 G HA3 -0.210 3.750 3.960 0.001 0.000 0.271 332 G C -0.625 174.457 174.900 0.305 0.000 1.209 332 G CA -0.184 45.026 45.100 0.183 0.000 0.959 332 G HN 0.714 nan 8.290 nan 0.000 0.563 333 E N -0.330 119.992 120.200 0.203 0.000 2.318 333 E HA 0.649 4.999 4.350 0.001 0.000 0.265 333 E C -0.116 176.518 176.600 0.055 0.000 1.069 333 E CA -0.262 56.224 56.400 0.143 0.000 0.893 333 E CB 2.082 31.816 29.700 0.056 0.000 1.076 333 E HN 0.582 nan 8.360 nan 0.000 0.414 334 I N 0.468 120.966 120.570 -0.120 0.000 2.894 334 I HA 0.247 4.417 4.170 0.001 0.000 0.302 334 I C -1.519 174.455 176.117 -0.239 0.000 1.188 334 I CA -0.470 60.636 61.300 -0.323 0.000 1.014 334 I CB 2.142 39.570 38.000 -0.953 0.000 1.242 334 I HN 0.477 nan 8.210 nan 0.000 0.430 335 E N 6.216 126.299 120.200 -0.195 0.000 2.255 335 E HA 0.404 4.755 4.350 0.001 0.000 0.256 335 E C -1.987 174.531 176.600 -0.137 0.000 0.887 335 E CA -0.718 55.587 56.400 -0.158 0.000 0.782 335 E CB 1.967 31.599 29.700 -0.113 0.000 1.214 335 E HN 0.475 nan 8.360 nan 0.000 0.417 336 L N 4.758 125.898 121.223 -0.139 0.000 2.325 336 L HA 0.527 4.868 4.340 0.001 0.000 0.281 336 L C -1.202 175.637 176.870 -0.052 0.000 1.004 336 L CA -0.263 54.534 54.840 -0.071 0.000 0.823 336 L CB 1.109 43.141 42.059 -0.044 0.000 1.236 336 L HN 0.459 nan 8.230 nan 0.000 0.415 337 R N 6.500 126.980 120.500 -0.034 0.000 2.562 337 R HA 0.761 5.102 4.340 0.001 0.000 0.298 337 R C -0.948 175.339 176.300 -0.021 0.000 0.961 337 R CA -0.708 55.362 56.100 -0.049 0.000 0.881 337 R CB 1.993 32.242 30.300 -0.085 0.000 1.159 337 R HN 0.724 nan 8.270 nan 0.000 0.450 338 M N 0.133 119.714 119.600 -0.032 0.000 2.395 338 M HA 0.832 5.312 4.480 0.001 0.000 0.307 338 M C -0.435 175.624 176.300 -0.401 0.000 1.091 338 M CA -0.647 54.640 55.300 -0.022 0.000 0.919 338 M CB 2.544 35.281 32.600 0.229 0.000 1.662 338 M HN 0.749 nan 8.290 nan 0.000 0.440 339 G N 2.497 110.994 108.800 -0.504 0.000 2.399 339 G HA2 0.396 4.356 3.960 0.001 0.000 0.256 339 G HA3 0.396 4.356 3.960 0.001 0.000 0.256 339 G C -2.041 172.663 174.900 -0.326 0.000 1.236 339 G CA -0.160 44.402 45.100 -0.897 0.000 0.914 339 G HN 1.099 nan 8.290 nan 0.000 0.482 340 N N -1.815 116.751 118.700 -0.223 0.000 3.506 340 N HA 0.374 5.114 4.740 0.001 0.000 0.331 340 N C 0.515 175.986 175.510 -0.065 0.000 1.631 340 N CA -0.183 52.828 53.050 -0.066 0.000 0.786 340 N CB 0.775 39.282 38.487 0.033 0.000 2.023 340 N HN 0.463 nan 8.380 nan 0.000 0.621 341 E N -0.879 119.304 120.200 -0.029 0.000 2.268 341 E HA 0.031 4.382 4.350 0.001 0.000 0.195 341 E C 0.247 176.831 176.600 -0.027 0.000 0.995 341 E CA 1.040 57.422 56.400 -0.030 0.000 0.836 341 E CB 0.020 29.710 29.700 -0.016 0.000 0.763 341 E HN 0.520 nan 8.360 nan 0.000 0.491 342 S N -0.519 115.172 115.700 -0.016 0.000 2.559 342 S HA 0.140 4.611 4.470 0.001 0.000 0.226 342 S C -0.123 174.470 174.600 -0.013 0.000 1.030 342 S CA -0.139 58.057 58.200 -0.006 0.000 0.956 342 S CB 0.751 63.962 63.200 0.018 0.000 0.900 342 S HN 0.117 nan 8.310 nan 0.000 0.510 343 E N 1.067 121.244 120.200 -0.039 0.000 2.367 343 E HA 0.568 4.919 4.350 0.001 0.000 0.273 343 E C -0.999 175.470 176.600 -0.219 0.000 0.903 343 E CA -0.800 55.567 56.400 -0.055 0.000 0.764 343 E CB 2.142 31.887 29.700 0.074 0.000 1.252 343 E HN 0.357 nan 8.360 nan 0.000 0.446 344 E N -0.467 119.602 120.200 -0.218 0.000 2.401 344 E HA 0.482 4.833 4.350 0.001 0.000 0.280 344 E C -1.642 174.856 176.600 -0.171 0.000 1.039 344 E CA -0.846 55.359 56.400 -0.326 0.000 0.814 344 E CB 1.523 31.088 29.700 -0.225 0.000 1.275 344 E HN 0.176 nan 8.360 nan 0.000 0.448 345 V N 1.509 121.339 119.914 -0.140 0.000 2.495 345 V HA 0.492 4.612 4.120 0.001 0.000 0.298 345 V C -0.574 175.477 176.094 -0.072 0.000 1.031 345 V CA -0.724 61.553 62.300 -0.037 0.000 0.871 345 V CB 1.651 33.559 31.823 0.142 0.000 0.988 345 V HN 0.580 nan 8.190 nan 0.000 0.432 346 V N 5.925 125.752 119.914 -0.145 0.000 2.495 346 V HA 0.569 4.690 4.120 0.001 0.000 0.298 346 V C -0.400 175.520 176.094 -0.290 0.000 1.031 346 V CA -0.562 61.634 62.300 -0.173 0.000 0.871 346 V CB 1.950 33.678 31.823 -0.158 0.000 0.988 346 V HN 0.775 nan 8.190 nan 0.000 0.432 347 I N 3.674 124.056 120.570 -0.314 0.000 2.436 347 I HA 0.679 4.850 4.170 0.001 0.000 0.289 347 I C -0.443 175.482 176.117 -0.320 0.000 1.010 347 I CA 0.267 61.295 61.300 -0.454 0.000 1.098 347 I CB 1.877 39.462 38.000 -0.691 0.000 1.266 347 I HN 0.696 nan 8.210 nan 0.000 0.434 348 T N 6.625 120.993 114.554 -0.310 0.000 2.848 348 T HA 0.323 4.674 4.350 0.001 0.000 0.285 348 T C -0.721 173.844 174.700 -0.225 0.000 0.995 348 T CA -0.710 61.250 62.100 -0.233 0.000 0.970 348 T CB 1.517 70.279 68.868 -0.178 0.000 0.976 348 T HN 0.432 nan 8.240 nan 0.000 0.441 349 K N 2.334 122.632 120.400 -0.170 0.000 2.316 349 K HA 0.470 4.790 4.320 0.001 0.000 0.267 349 K C -0.894 175.686 176.600 -0.032 0.000 1.025 349 K CA -0.330 55.906 56.287 -0.086 0.000 0.896 349 K CB 1.025 33.573 32.500 0.080 0.000 1.124 349 K HN 0.594 nan 8.250 nan 0.000 0.451 350 S N 4.805 120.479 115.700 -0.043 0.000 2.596 350 S HA 0.400 4.870 4.470 0.001 0.000 0.318 350 S C 0.140 174.738 174.600 -0.003 0.000 1.097 350 S CA -0.552 57.636 58.200 -0.019 0.000 1.080 350 S CB 0.376 63.554 63.200 -0.037 0.000 0.991 350 S HN 0.861 nan 8.310 nan 0.000 0.471 351 R N 3.417 123.929 120.500 0.020 0.000 3.956 351 R HA -0.182 4.158 4.340 0.001 0.000 0.281 351 R C -0.121 176.197 176.300 0.029 0.000 0.339 351 R CA 1.934 58.049 56.100 0.025 0.000 1.009 351 R CB -1.767 28.541 30.300 0.013 0.000 0.951 351 R HN 0.683 nan 8.270 nan 0.000 0.579 352 D N 2.073 122.483 120.400 0.016 0.000 2.431 352 D HA 0.253 4.893 4.640 0.001 0.000 0.213 352 D C -0.593 175.705 176.300 -0.004 0.000 1.130 352 D CA 0.246 54.257 54.000 0.018 0.000 0.834 352 D CB 0.472 41.283 40.800 0.019 0.000 0.985 352 D HN 0.226 nan 8.370 nan 0.000 0.504 353 E N 0.099 120.282 120.200 -0.030 0.000 2.272 353 E HA 0.384 4.735 4.350 0.001 0.000 0.269 353 E C -1.201 175.319 176.600 -0.132 0.000 0.877 353 E CA -0.667 55.695 56.400 -0.064 0.000 0.755 353 E CB 2.365 32.038 29.700 -0.045 0.000 1.192 353 E HN -0.040 nan 8.360 nan 0.000 0.422 354 L N 5.658 126.764 121.223 -0.196 0.000 2.287 354 L HA 0.568 4.908 4.340 0.001 0.000 0.287 354 L C -0.794 175.891 176.870 -0.307 0.000 1.022 354 L CA -0.698 53.938 54.840 -0.340 0.000 0.814 354 L CB 0.793 42.534 42.059 -0.529 0.000 1.217 354 L HN 0.584 nan 8.230 nan 0.000 0.420 355 I N 3.354 123.721 120.570 -0.339 0.000 2.498 355 I HA 0.640 4.810 4.170 0.001 0.000 0.290 355 I C -1.271 174.593 176.117 -0.422 0.000 1.032 355 I CA -0.596 60.532 61.300 -0.287 0.000 1.073 355 I CB 2.107 40.012 38.000 -0.158 0.000 1.251 355 I HN 0.177 nan 8.210 nan 0.000 0.426 356 V N 4.636 124.301 119.914 -0.415 0.000 2.555 356 V HA 0.523 4.643 4.120 0.001 0.000 0.302 356 V C -0.965 174.913 176.094 -0.359 0.000 1.038 356 V CA -0.253 61.736 62.300 -0.518 0.000 0.887 356 V CB 1.719 33.148 31.823 -0.657 0.000 0.991 356 V HN 0.826 nan 8.190 nan 0.000 0.434 357 D N 2.487 122.662 120.400 -0.376 0.000 2.473 357 D HA 0.297 4.938 4.640 0.001 0.000 0.253 357 D C 0.568 176.706 176.300 -0.270 0.000 1.233 357 D CA -0.167 53.680 54.000 -0.255 0.000 0.908 357 D CB 1.990 42.687 40.800 -0.173 0.000 1.170 357 D HN 0.669 nan 8.370 nan 0.000 0.558 358 T N -0.489 113.892 114.554 -0.288 0.000 3.176 358 T HA 0.035 4.386 4.350 0.001 0.000 0.263 358 T C 1.570 176.224 174.700 -0.078 0.000 1.021 358 T CA 0.428 62.406 62.100 -0.205 0.000 0.905 358 T CB -0.138 68.555 68.868 -0.291 0.000 1.057 358 T HN 0.305 nan 8.240 nan 0.000 0.558 359 T N 1.122 115.640 114.554 -0.060 0.000 2.803 359 T HA -0.089 4.261 4.350 0.001 0.000 0.269 359 T C 1.618 176.314 174.700 -0.007 0.000 1.052 359 T CA 0.579 62.669 62.100 -0.018 0.000 1.136 359 T CB -0.425 68.432 68.868 -0.018 0.000 0.864 359 T HN 0.465 nan 8.240 nan 0.000 0.467 360 R N 1.394 121.881 120.500 -0.021 0.000 2.609 360 R HA 0.317 4.658 4.340 0.001 0.000 0.326 360 R C 2.059 178.368 176.300 0.014 0.000 1.090 360 R CA 0.425 56.520 56.100 -0.009 0.000 1.072 360 R CB 0.167 30.448 30.300 -0.032 0.000 1.330 360 R HN 0.617 nan 8.270 nan 0.000 0.572 361 S N -0.987 114.737 115.700 0.040 0.000 2.446 361 S HA 0.144 4.615 4.470 0.001 0.000 0.225 361 S C 1.046 175.752 174.600 0.176 0.000 1.016 361 S CA 0.569 58.843 58.200 0.124 0.000 0.943 361 S CB 0.500 63.752 63.200 0.085 0.000 0.786 361 S HN 0.413 nan 8.310 nan 0.000 0.508 362 G N -0.163 108.705 108.800 0.113 0.000 2.356 362 G HA2 0.303 4.263 3.960 0.001 0.000 0.281 362 G HA3 0.303 4.263 3.960 0.001 0.000 0.281 362 G C -0.087 174.881 174.900 0.114 0.000 1.246 362 G CA -0.126 45.054 45.100 0.134 0.000 0.889 362 G HN 0.316 nan 8.290 nan 0.000 0.486 363 V N 1.084 121.082 119.914 0.141 0.000 3.305 363 V HA 0.139 4.259 4.120 0.001 0.000 0.269 363 V C 2.171 178.323 176.094 0.096 0.000 1.157 363 V CA 2.657 65.026 62.300 0.114 0.000 1.157 363 V CB -0.086 31.819 31.823 0.136 0.000 0.772 363 V HN 1.196 nan 8.190 nan 0.000 0.498 364 S N -1.334 114.443 115.700 0.128 0.000 2.568 364 S HA 0.415 4.886 4.470 0.001 0.000 0.232 364 S C 1.200 175.885 174.600 0.142 0.000 0.975 364 S CA 0.465 58.771 58.200 0.176 0.000 0.949 364 S CB 0.301 63.730 63.200 0.382 0.000 0.829 364 S HN 1.131 nan 8.310 nan 0.000 0.479 365 G N 0.937 109.793 108.800 0.093 0.000 2.594 365 G HA2 0.189 4.150 3.960 0.001 0.000 0.297 365 G HA3 0.189 4.150 3.960 0.001 0.000 0.297 365 G C 0.283 175.223 174.900 0.067 0.000 1.273 365 G CA -0.116 45.025 45.100 0.068 0.000 0.974 365 G HN 1.793 nan 8.290 nan 0.000 0.552 366 G N -2.460 106.378 108.800 0.064 0.000 2.364 366 G HA2 0.619 4.580 3.960 0.001 0.000 0.286 366 G HA3 0.619 4.580 3.960 0.001 0.000 0.286 366 G C -1.165 173.782 174.900 0.077 0.000 1.241 366 G CA 0.521 45.667 45.100 0.077 0.000 0.887 366 G HN 1.050 nan 8.290 nan 0.000 0.484 367 E N -1.733 118.523 120.200 0.094 0.000 2.456 367 E HA 0.593 4.944 4.350 0.001 0.000 0.276 367 E C -1.436 175.210 176.600 0.077 0.000 0.981 367 E CA -0.889 55.574 56.400 0.106 0.000 0.814 367 E CB 2.877 32.679 29.700 0.170 0.000 1.382 367 E HN 0.288 nan 8.360 nan 0.000 0.459 368 V N 1.899 121.862 119.914 0.082 0.000 2.417 368 V HA 0.460 4.580 4.120 0.001 0.000 0.291 368 V C -0.228 175.957 176.094 0.152 0.000 1.024 368 V CA -0.664 61.673 62.300 0.062 0.000 0.861 368 V CB 1.115 32.947 31.823 0.015 0.000 0.985 368 V HN 0.453 nan 8.190 nan 0.000 0.436 369 R N 3.969 124.610 120.500 0.235 0.000 2.750 369 R HA 0.730 5.070 4.340 0.001 0.000 0.281 369 R C -0.851 175.626 176.300 0.294 0.000 0.972 369 R CA -0.837 55.457 56.100 0.324 0.000 0.912 369 R CB 2.890 33.511 30.300 0.535 0.000 1.187 369 R HN 0.933 nan 8.270 nan 0.000 0.464 370 K N -1.237 119.332 120.400 0.282 0.000 2.533 370 K HA 0.644 4.965 4.320 0.001 0.000 0.272 370 K C -1.120 175.596 176.600 0.192 0.000 0.985 370 K CA -0.839 55.570 56.287 0.205 0.000 0.876 370 K CB 2.250 34.788 32.500 0.062 0.000 1.452 370 K HN 0.400 nan 8.250 nan 0.000 0.439 371 S N 0.498 116.270 115.700 0.119 0.000 2.533 371 S HA 0.371 4.841 4.470 0.001 0.000 0.271 371 S C -1.069 173.504 174.600 -0.045 0.000 1.143 371 S CA -0.585 57.585 58.200 -0.049 0.000 0.891 371 S CB 1.479 64.437 63.200 -0.405 0.000 1.105 371 S HN 0.740 nan 8.310 nan 0.000 0.468 372 T N 1.179 115.713 114.554 -0.033 0.000 2.926 372 T HA 0.584 4.934 4.350 0.001 0.000 0.307 372 T C -0.103 174.594 174.700 -0.006 0.000 1.059 372 T CA -0.436 61.657 62.100 -0.011 0.000 1.122 372 T CB 0.746 69.622 68.868 0.013 0.000 0.972 372 T HN 0.514 nan 8.240 nan 0.000 0.545 373 V N 1.730 121.655 119.914 0.018 0.000 2.888 373 V HA 0.367 4.488 4.120 0.001 0.000 0.309 373 V C -0.169 175.992 176.094 0.111 0.000 1.114 373 V CA -1.042 61.301 62.300 0.070 0.000 0.940 373 V CB 2.138 33.962 31.823 0.001 0.000 1.021 373 V HN 1.077 nan 8.190 nan 0.000 0.426 374 E N 2.851 123.141 120.200 0.150 0.000 2.290 374 E HA 0.092 4.443 4.350 0.001 0.000 0.277 374 E C -0.489 176.195 176.600 0.141 0.000 1.035 374 E CA -0.290 56.184 56.400 0.122 0.000 0.873 374 E CB 0.610 30.372 29.700 0.104 0.000 1.029 374 E HN 0.627 nan 8.360 nan 0.000 0.419 375 D N 3.559 124.019 120.400 0.100 0.000 2.424 375 D HA 0.020 4.660 4.640 0.001 0.000 0.244 375 D C -0.700 175.634 176.300 0.057 0.000 1.134 375 D CA 0.533 54.587 54.000 0.090 0.000 0.881 375 D CB 0.886 41.724 40.800 0.064 0.000 1.191 375 D HN 0.360 nan 8.370 nan 0.000 0.445 376 E N 0.602 120.820 120.200 0.031 0.000 2.317 376 E HA 0.528 4.879 4.350 0.001 0.000 0.270 376 E C 0.291 176.860 176.600 -0.051 0.000 0.885 376 E CA -0.726 55.659 56.400 -0.025 0.000 0.760 376 E CB 1.777 31.432 29.700 -0.075 0.000 1.227 376 E HN 0.302 nan 8.360 nan 0.000 0.434 377 A N 2.157 124.949 122.820 -0.046 0.000 1.873 377 A HA -0.069 4.252 4.320 0.001 0.000 0.218 377 A C 0.726 178.258 177.584 -0.087 0.000 1.193 377 A CA 1.736 53.745 52.037 -0.046 0.000 0.629 377 A CB -0.375 18.605 19.000 -0.032 0.000 0.826 377 A HN 0.516 nan 8.150 nan 0.000 0.447 378 T N 1.165 115.648 114.554 -0.118 0.000 2.786 378 T HA 0.491 4.842 4.350 0.001 0.000 0.283 378 T C -0.634 173.898 174.700 -0.281 0.000 0.992 378 T CA -0.828 61.166 62.100 -0.177 0.000 0.954 378 T CB 1.142 69.940 68.868 -0.116 0.000 0.934 378 T HN 0.300 nan 8.240 nan 0.000 0.440 379 N N 2.468 120.867 118.700 -0.502 0.000 2.443 379 N HA 0.547 5.288 4.740 0.001 0.000 0.293 379 N C -0.383 174.814 175.510 -0.522 0.000 1.159 379 N CA -0.747 51.898 53.050 -0.674 0.000 0.904 379 N CB 1.878 39.754 38.487 -1.019 0.000 1.214 379 N HN 0.449 nan 8.380 nan 0.000 0.513 380 R N 0.891 121.160 120.500 -0.385 0.000 2.515 380 R HA 0.518 4.859 4.340 0.001 0.000 0.291 380 R C -0.838 175.530 176.300 0.112 0.000 1.046 380 R CA -0.479 55.582 56.100 -0.065 0.000 0.914 380 R CB 1.608 31.861 30.300 -0.078 0.000 1.191 380 R HN 0.486 nan 8.270 nan 0.000 0.435 381 I N 2.849 123.637 120.570 0.363 0.000 2.441 381 I HA 0.459 4.630 4.170 0.001 0.000 0.295 381 I C -0.137 176.194 176.117 0.357 0.000 0.994 381 I CA -0.780 60.795 61.300 0.459 0.000 1.144 381 I CB 1.850 40.167 38.000 0.529 0.000 1.314 381 I HN 0.337 nan 8.210 nan 0.000 0.445 382 R N 4.821 125.563 120.500 0.404 0.000 2.437 382 R HA 0.764 5.104 4.340 0.001 0.000 0.310 382 R C -0.955 175.568 176.300 0.371 0.000 0.955 382 R CA -0.690 55.595 56.100 0.309 0.000 0.851 382 R CB 2.025 32.499 30.300 0.290 0.000 1.161 382 R HN 0.681 nan 8.270 nan 0.000 0.446 383 A N 3.866 126.774 122.820 0.147 0.000 2.291 383 A HA 0.556 4.876 4.320 0.001 0.000 0.311 383 A C -1.075 176.455 177.584 -0.090 0.000 1.224 383 A CA -0.553 51.479 52.037 -0.009 0.000 0.821 383 A CB 0.314 19.280 19.000 -0.057 0.000 1.172 383 A HN 0.625 nan 8.150 nan 0.000 0.494 384 F N 2.767 122.746 119.950 0.050 0.000 2.350 384 F HA 0.404 4.932 4.527 0.001 0.000 0.365 384 F C 0.076 175.915 175.800 0.065 0.000 1.122 384 F CA -0.481 57.613 58.000 0.158 0.000 1.139 384 F CB 1.427 40.636 39.000 0.347 0.000 1.220 384 F HN 0.487 nan 8.300 nan 0.000 0.499 385 L N 4.335 125.600 121.223 0.070 0.000 2.276 385 L HA 0.503 4.844 4.340 0.001 0.000 0.286 385 L C -0.548 176.347 176.870 0.041 0.000 1.061 385 L CA 0.293 55.064 54.840 -0.114 0.000 0.807 385 L CB 0.569 42.324 42.059 -0.508 0.000 1.177 385 L HN 0.481 nan 8.230 nan 0.000 0.429 386 D N 1.253 121.638 120.400 -0.025 0.000 2.714 386 D HA 0.367 5.008 4.640 0.001 0.000 0.278 386 D C 0.743 176.969 176.300 -0.124 0.000 1.102 386 D CA -0.274 53.676 54.000 -0.083 0.000 1.108 386 D CB 2.291 42.959 40.800 -0.220 0.000 1.444 386 D HN 0.521 nan 8.370 nan 0.000 0.568 387 S N -0.584 115.065 115.700 -0.085 0.000 2.400 387 S HA -0.126 4.345 4.470 0.001 0.000 0.232 387 S C 1.476 176.104 174.600 0.047 0.000 1.025 387 S CA 1.413 59.601 58.200 -0.019 0.000 0.993 387 S CB -0.379 62.830 63.200 0.015 0.000 0.808 387 S HN 0.592 nan 8.310 nan 0.000 0.478 388 C N 0.800 120.077 119.300 -0.039 0.000 3.144 388 C HA 0.744 5.204 4.460 0.001 0.000 0.253 388 C C 0.064 174.846 174.990 -0.347 0.000 2.010 388 C CA -0.731 58.200 59.018 -0.145 0.000 1.698 388 C CB -1.136 26.623 27.740 0.032 0.000 3.346 388 C HN 0.313 nan 8.230 nan 0.000 0.449 389 S N -0.710 114.822 115.700 -0.280 0.000 2.567 389 S HA 0.769 5.240 4.470 0.001 0.000 0.270 389 S C -1.650 172.851 174.600 -0.164 0.000 1.152 389 S CA -0.426 57.619 58.200 -0.258 0.000 0.835 389 S CB 1.603 64.612 63.200 -0.318 0.000 1.115 389 S HN 1.333 nan 8.310 nan 0.000 0.459 390 V N 0.840 120.703 119.914 -0.085 0.000 2.668 390 V HA 0.658 4.778 4.120 0.001 0.000 0.304 390 V C -1.701 174.368 176.094 -0.041 0.000 1.071 390 V CA -0.285 61.954 62.300 -0.101 0.000 0.894 390 V CB 1.807 33.534 31.823 -0.159 0.000 1.008 390 V HN 1.042 nan 8.190 nan 0.000 0.425 391 E N 5.790 125.941 120.200 -0.081 0.000 2.165 391 E HA 0.517 4.867 4.350 0.001 0.000 0.266 391 E C -1.652 174.825 176.600 -0.205 0.000 0.889 391 E CA -0.273 56.085 56.400 -0.071 0.000 0.756 391 E CB 2.108 31.828 29.700 0.034 0.000 1.131 391 E HN 0.587 nan 8.360 nan 0.000 0.411 392 F N 2.648 122.586 119.950 -0.020 0.000 2.420 392 F HA 0.479 5.007 4.527 0.001 0.000 0.342 392 F C -0.335 175.377 175.800 -0.147 0.000 1.113 392 F CA -0.652 57.390 58.000 0.070 0.000 1.059 392 F CB 0.811 39.892 39.000 0.135 0.000 1.128 392 F HN 0.346 nan 8.300 nan 0.000 0.475 393 F N 3.351 123.622 119.950 0.535 0.000 2.507 393 F HA 0.477 5.004 4.527 0.001 0.000 0.325 393 F C -0.806 175.279 175.800 0.475 0.000 1.116 393 F CA -1.015 57.253 58.000 0.447 0.000 0.930 393 F CB 1.724 40.933 39.000 0.348 0.000 1.146 393 F HN 0.253 nan 8.300 nan 0.000 0.447 394 F N 4.116 124.324 119.950 0.430 0.000 2.507 394 F HA 0.409 4.937 4.527 0.001 0.000 0.328 394 F C 0.218 176.167 175.800 0.248 0.000 1.136 394 F CA -0.923 57.267 58.000 0.317 0.000 0.930 394 F CB 0.877 40.048 39.000 0.285 0.000 1.166 394 F HN 0.542 nan 8.300 nan 0.000 0.436 395 N N 3.808 122.262 118.700 -0.410 0.000 2.708 395 N HA -0.248 4.493 4.740 0.001 0.000 0.249 395 N C -0.481 175.021 175.510 -0.014 0.000 1.097 395 N CA 1.547 54.403 53.050 -0.324 0.000 0.710 395 N CB -1.232 36.954 38.487 -0.502 0.000 1.032 395 N HN 0.757 nan 8.380 nan 0.000 0.551 396 D N -2.426 118.033 120.400 0.099 0.000 2.737 396 D HA -0.197 4.444 4.640 0.001 0.000 0.233 396 D C 0.673 177.115 176.300 0.237 0.000 1.155 396 D CA 1.436 55.548 54.000 0.188 0.000 0.667 396 D CB -1.087 39.804 40.800 0.151 0.000 1.060 396 D HN 0.522 nan 8.370 nan 0.000 0.427 397 S N -1.677 114.153 115.700 0.216 0.000 3.186 397 S HA 0.338 4.809 4.470 0.001 0.000 0.253 397 S C 0.636 175.351 174.600 0.191 0.000 1.071 397 S CA 0.225 58.522 58.200 0.162 0.000 0.796 397 S CB 0.707 64.008 63.200 0.170 0.000 0.818 397 S HN 0.424 nan 8.310 nan 0.000 0.498 398 I N -0.724 120.026 120.570 0.301 0.000 3.042 398 I HA 0.948 5.119 4.170 0.001 0.000 0.310 398 I C -1.008 175.304 176.117 0.325 0.000 1.117 398 I CA -1.407 60.063 61.300 0.283 0.000 1.003 398 I CB 2.129 40.293 38.000 0.274 0.000 1.228 398 I HN 0.183 nan 8.210 nan 0.000 0.443 399 A N 2.538 125.452 122.820 0.156 0.000 2.475 399 A HA 0.859 5.180 4.320 0.001 0.000 0.301 399 A C -1.752 175.770 177.584 -0.104 0.000 1.059 399 A CA -0.370 51.663 52.037 -0.007 0.000 0.710 399 A CB 1.315 20.203 19.000 -0.187 0.000 1.288 399 A HN 0.581 nan 8.150 nan 0.000 0.408 400 F N 1.077 120.965 119.950 -0.104 0.000 2.507 400 F HA 0.556 5.083 4.527 0.001 0.000 0.328 400 F C 0.417 176.130 175.800 -0.146 0.000 1.136 400 F CA -0.204 57.755 58.000 -0.068 0.000 0.930 400 F CB 2.595 41.731 39.000 0.227 0.000 1.166 400 F HN 0.401 nan 8.300 nan 0.000 0.436 401 S N 4.038 119.596 115.700 -0.236 0.000 2.478 401 S HA 0.759 5.230 4.470 0.001 0.000 0.312 401 S C -1.134 173.240 174.600 -0.376 0.000 1.094 401 S CA -0.566 57.530 58.200 -0.174 0.000 1.081 401 S CB 0.745 63.888 63.200 -0.094 0.000 1.007 401 S HN 0.350 nan 8.310 nan 0.000 0.475 402 F N 1.383 121.355 119.950 0.037 0.000 2.576 402 F HA 0.536 5.064 4.527 0.001 0.000 0.313 402 F C 0.421 176.134 175.800 -0.146 0.000 1.078 402 F CA -1.105 56.893 58.000 -0.004 0.000 0.921 402 F CB 1.322 40.360 39.000 0.062 0.000 1.232 402 F HN 0.170 nan 8.300 nan 0.000 0.459 403 R N 3.415 123.889 120.500 -0.043 0.000 2.265 403 R HA 0.657 4.997 4.340 0.001 0.000 0.319 403 R C -0.683 175.313 176.300 -0.506 0.000 1.006 403 R CA -0.483 55.380 56.100 -0.394 0.000 0.880 403 R CB 1.171 31.093 30.300 -0.631 0.000 1.077 403 R HN 0.837 nan 8.270 nan 0.000 0.454 404 I N -1.120 119.017 120.570 -0.723 0.000 2.934 404 I HA 0.470 4.640 4.170 0.001 0.000 0.306 404 I C -0.552 174.937 176.117 -1.047 0.000 1.110 404 I CA -0.924 59.980 61.300 -0.659 0.000 1.019 404 I CB 2.863 40.705 38.000 -0.262 0.000 1.227 404 I HN 0.404 nan 8.210 nan 0.000 0.434 405 H N 1.732 120.683 119.070 -0.197 0.000 2.429 405 H HA 0.387 4.943 4.556 0.001 0.000 0.231 405 H C -2.720 172.705 175.328 0.161 0.000 1.416 405 H CA -1.688 54.235 56.048 -0.208 0.000 1.443 405 H CB 0.662 30.027 29.762 -0.661 0.000 1.591 405 H HN 0.370 nan 8.280 nan 0.000 0.507 406 P HA 0.045 nan 4.420 nan 0.000 0.268 406 P C 0.905 178.351 177.300 0.242 0.000 1.205 406 P CA 0.111 63.333 63.100 0.204 0.000 0.771 406 P CB 1.482 33.184 31.700 0.004 0.000 0.858 407 E N 0.845 121.158 120.200 0.187 0.000 2.285 407 E HA -0.039 4.311 4.350 0.001 0.000 0.194 407 E C 0.011 176.643 176.600 0.054 0.000 0.997 407 E CA 0.785 57.251 56.400 0.109 0.000 0.845 407 E CB 0.010 29.771 29.700 0.102 0.000 0.782 407 E HN 0.540 nan 8.360 nan 0.000 0.491 408 N N -1.109 117.648 118.700 0.095 0.000 2.647 408 N HA 0.221 4.961 4.740 0.001 0.000 0.266 408 N C -1.384 174.205 175.510 0.133 0.000 1.373 408 N CA -0.657 52.444 53.050 0.085 0.000 0.807 408 N CB 2.417 40.956 38.487 0.087 0.000 1.513 408 N HN -0.238 nan 8.380 nan 0.000 0.505 409 V N 1.773 121.757 119.914 0.117 0.000 2.763 409 V HA -0.039 4.082 4.120 0.001 0.000 0.306 409 V C -0.393 175.888 176.094 0.312 0.000 1.059 409 V CA 0.409 62.804 62.300 0.157 0.000 1.138 409 V CB -0.228 31.671 31.823 0.127 0.000 0.940 409 V HN 0.549 nan 8.190 nan 0.000 0.489 410 Y N 4.942 125.310 120.300 0.114 0.000 2.594 410 Y HA 0.138 4.688 4.550 0.001 0.000 0.344 410 Y C 1.365 177.366 175.900 0.168 0.000 1.185 410 Y CA -0.885 57.297 58.100 0.136 0.000 1.565 410 Y CB -0.716 37.840 38.460 0.161 0.000 1.415 410 Y HN 0.810 nan 8.280 nan 0.000 0.488 411 N N 1.041 119.857 118.700 0.194 0.000 2.214 411 N HA 0.245 4.986 4.740 0.001 0.000 0.214 411 N C -0.501 175.004 175.510 -0.009 0.000 1.132 411 N CA 0.028 53.125 53.050 0.078 0.000 0.856 411 N CB 0.480 39.001 38.487 0.056 0.000 1.020 411 N HN 0.254 nan 8.380 nan 0.000 0.509 412 I N 1.199 121.760 120.570 -0.015 0.000 2.465 412 I HA 0.358 4.528 4.170 0.001 0.000 0.291 412 I C -1.369 174.707 176.117 -0.068 0.000 1.014 412 I CA -1.196 60.063 61.300 -0.068 0.000 1.093 412 I CB 2.193 40.146 38.000 -0.079 0.000 1.267 412 I HN 0.026 nan 8.210 nan 0.000 0.431 413 L N 5.555 126.728 121.223 -0.083 0.000 2.406 413 L HA 0.563 4.904 4.340 0.001 0.000 0.272 413 L C -0.807 176.064 176.870 0.001 0.000 0.980 413 L CA 0.055 54.873 54.840 -0.038 0.000 0.831 413 L CB 1.839 43.848 42.059 -0.083 0.000 1.253 413 L HN 0.490 nan 8.230 nan 0.000 0.406 414 S N 3.623 119.315 115.700 -0.014 0.000 2.472 414 S HA 0.899 5.369 4.470 0.001 0.000 0.303 414 S C -0.922 173.694 174.600 0.027 0.000 1.099 414 S CA -0.585 57.597 58.200 -0.031 0.000 1.077 414 S CB 1.822 64.971 63.200 -0.085 0.000 1.031 414 S HN 0.421 nan 8.310 nan 0.000 0.487 415 V N 2.616 122.570 119.914 0.067 0.000 2.686 415 V HA 0.599 4.719 4.120 0.001 0.000 0.306 415 V C -0.499 175.614 176.094 0.031 0.000 1.065 415 V CA -0.840 61.500 62.300 0.066 0.000 0.894 415 V CB 1.782 33.698 31.823 0.156 0.000 1.004 415 V HN 0.830 nan 8.190 nan 0.000 0.424 416 K N 2.416 122.805 120.400 -0.019 0.000 2.640 416 K HA 0.741 5.061 4.320 0.001 0.000 0.245 416 K C -0.992 175.588 176.600 -0.033 0.000 0.962 416 K CA 0.003 56.277 56.287 -0.021 0.000 0.896 416 K CB 1.570 34.046 32.500 -0.040 0.000 1.147 416 K HN 0.883 nan 8.250 nan 0.000 0.445 417 S N 2.864 118.567 115.700 0.006 0.000 2.587 417 S HA 0.401 4.871 4.470 0.001 0.000 0.269 417 S C -1.909 172.732 174.600 0.068 0.000 1.154 417 S CA -0.949 57.268 58.200 0.030 0.000 0.824 417 S CB 0.958 64.167 63.200 0.015 0.000 1.118 417 S HN 0.627 nan 8.310 nan 0.000 0.462 418 N N 2.902 121.656 118.700 0.090 0.000 2.434 418 N HA 0.330 5.070 4.740 0.001 0.000 0.272 418 N C -1.097 174.479 175.510 0.109 0.000 1.040 418 N CA 0.041 53.141 53.050 0.084 0.000 0.956 418 N CB 0.901 39.430 38.487 0.070 0.000 1.108 418 N HN 0.657 nan 8.380 nan 0.000 0.481 419 Q N -0.420 119.433 119.800 0.088 0.000 2.369 419 Q HA -0.124 4.217 4.340 0.001 0.000 0.339 419 Q C -1.320 174.757 176.000 0.127 0.000 1.305 419 Q CA 0.372 56.227 55.803 0.087 0.000 0.876 419 Q CB -1.225 27.556 28.738 0.072 0.000 1.016 419 Q HN 0.345 nan 8.270 nan 0.000 0.313 420 V N 2.005 121.983 119.914 0.106 0.000 2.735 420 V HA 0.651 4.772 4.120 0.001 0.000 0.310 420 V C -0.148 175.992 176.094 0.078 0.000 1.061 420 V CA -0.780 61.596 62.300 0.125 0.000 0.913 420 V CB 2.439 34.329 31.823 0.112 0.000 1.005 420 V HN 0.481 nan 8.190 nan 0.000 0.428 421 K N 3.710 124.161 120.400 0.085 0.000 2.668 421 K HA 0.659 4.980 4.320 0.001 0.000 0.246 421 K C -1.486 175.139 176.600 0.042 0.000 0.976 421 K CA -0.123 56.183 56.287 0.032 0.000 0.902 421 K CB 1.986 34.502 32.500 0.027 0.000 1.172 421 K HN 0.642 nan 8.250 nan 0.000 0.452 422 L N 2.252 123.471 121.223 -0.007 0.000 2.385 422 L HA 0.554 4.894 4.340 0.001 0.000 0.273 422 L C -1.335 175.479 176.870 -0.093 0.000 0.990 422 L CA -0.281 54.565 54.840 0.011 0.000 0.821 422 L CB 1.621 43.724 42.059 0.074 0.000 1.279 422 L HN 0.542 nan 8.230 nan 0.000 0.412 423 E N 3.378 123.528 120.200 -0.084 0.000 2.312 423 E HA 0.654 5.005 4.350 0.001 0.000 0.267 423 E C -1.463 175.024 176.600 -0.190 0.000 0.894 423 E CA -0.788 55.468 56.400 -0.241 0.000 0.773 423 E CB 2.735 32.194 29.700 -0.401 0.000 1.241 423 E HN 0.269 nan 8.360 nan 0.000 0.432 424 V N 2.253 121.997 119.914 -0.285 0.000 2.444 424 V HA 0.443 4.563 4.120 0.001 0.000 0.294 424 V C -1.221 174.660 176.094 -0.356 0.000 1.022 424 V CA -0.737 61.444 62.300 -0.198 0.000 0.850 424 V CB 0.465 32.183 31.823 -0.174 0.000 0.992 424 V HN 0.538 nan 8.190 nan 0.000 0.426 425 F N 1.796 121.741 119.950 -0.008 0.000 2.436 425 F HA 0.465 4.992 4.527 0.001 0.000 0.340 425 F C 0.780 176.604 175.800 0.039 0.000 1.113 425 F CA -0.647 57.347 58.000 -0.009 0.000 1.022 425 F CB 1.353 40.328 39.000 -0.041 0.000 1.128 425 F HN 0.452 nan 8.300 nan 0.000 0.466 426 E N 3.061 123.387 120.200 0.210 0.000 2.413 426 E HA 0.235 4.586 4.350 0.001 0.000 0.263 426 E C -0.878 175.810 176.600 0.146 0.000 1.015 426 E CA -0.044 56.470 56.400 0.189 0.000 0.916 426 E CB 0.722 30.504 29.700 0.136 0.000 0.947 426 E HN 0.460 nan 8.360 nan 0.000 0.440 427 L N 2.846 124.133 121.223 0.107 0.000 2.329 427 L HA 0.297 4.638 4.340 0.001 0.000 0.279 427 L C 0.372 177.261 176.870 0.032 0.000 1.014 427 L CA -0.628 54.192 54.840 -0.034 0.000 0.814 427 L CB 1.529 43.405 42.059 -0.304 0.000 1.257 427 L HN 0.571 nan 8.230 nan 0.000 0.424 428 E N 3.055 123.255 120.200 -0.000 0.000 2.413 428 E HA -0.050 4.301 4.350 0.001 0.000 0.263 428 E C -0.378 176.294 176.600 0.119 0.000 1.015 428 E CA -0.309 56.127 56.400 0.060 0.000 0.916 428 E CB 0.711 30.441 29.700 0.049 0.000 0.947 428 E HN 0.470 nan 8.360 nan 0.000 0.440 429 N N 4.655 123.440 118.700 0.142 0.000 2.420 429 N HA 0.004 4.744 4.740 0.001 0.000 0.262 429 N C 1.001 176.562 175.510 0.086 0.000 1.144 429 N CA -0.071 53.083 53.050 0.172 0.000 0.952 429 N CB 0.549 39.158 38.487 0.203 0.000 1.081 429 N HN 0.577 nan 8.380 nan 0.000 0.480 430 I N 0.716 121.243 120.570 -0.071 0.000 3.111 430 I HA 0.086 4.256 4.170 0.001 0.000 0.272 430 I C 0.628 176.562 176.117 -0.304 0.000 1.268 430 I CA 0.122 61.288 61.300 -0.223 0.000 1.467 430 I CB -0.119 37.599 38.000 -0.469 0.000 1.087 430 I HN 0.409 nan 8.210 nan 0.000 0.467 431 W N 0.812 122.191 121.300 0.133 0.000 2.588 431 W HA 0.435 5.096 4.660 0.000 0.000 0.277 431 W C 0.642 177.206 176.519 0.075 0.000 1.221 431 W CA -0.308 57.096 57.345 0.097 0.000 1.355 431 W CB 0.237 29.754 29.460 0.095 0.000 1.083 431 W HN 0.089 nan 8.180 nan 0.000 0.581 432 L N 0.000 121.389 121.223 0.277 0.000 2.949 432 L HA 0.000 4.340 4.340 0.001 0.000 0.249 432 L CA 0.000 54.944 54.840 0.174 0.000 0.813 432 L CB 0.000 42.160 42.059 0.169 0.000 0.961 432 L HN 0.000 nan 8.230 nan 0.000 0.502