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 1uyp_1_C 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 FEDETTKEIE 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 0.000 176.728 176.870 -0.237 0.000 1.165 1 L CA 0.000 54.678 54.840 -0.271 0.000 0.813 1 L CB 0.000 41.803 42.059 -0.427 0.000 0.961 2 F N 1.764 121.756 119.950 0.071 0.000 2.765 2 F HA 0.305 4.835 4.527 0.005 0.000 0.302 2 F C 0.925 176.760 175.800 0.057 0.000 1.111 2 F CA -0.389 57.668 58.000 0.096 0.000 1.359 2 F CB 0.304 39.404 39.000 0.168 0.000 1.097 2 F HN -0.149 nan 8.300 nan 0.000 0.577 3 K N 2.678 123.107 120.400 0.047 0.000 2.436 3 K HA 0.061 4.384 4.320 0.005 0.000 0.282 3 K C -2.413 173.892 176.600 -0.492 0.000 1.044 3 K CA -1.586 54.364 56.287 -0.561 0.000 1.028 3 K CB -0.107 32.116 32.500 -0.462 0.000 0.919 3 K HN -0.151 nan 8.250 nan 0.000 0.474 4 P HA -0.065 nan 4.420 nan 0.000 0.264 4 P C 0.133 177.405 177.300 -0.047 0.000 1.183 4 P CA 0.114 63.001 63.100 -0.356 0.000 0.763 4 P CB 0.496 32.026 31.700 -0.283 0.000 0.807 5 N N 1.863 120.516 118.700 -0.078 0.000 2.216 5 N HA -0.134 4.610 4.740 0.005 0.000 0.183 5 N C 0.866 176.468 175.510 0.153 0.000 1.017 5 N CA 1.558 54.684 53.050 0.127 0.000 0.861 5 N CB -0.027 38.544 38.487 0.139 0.000 0.986 5 N HN 0.636 nan 8.380 nan 0.000 0.428 6 Y N -2.172 118.074 120.300 -0.090 0.000 2.825 6 Y HA 0.435 4.988 4.550 0.005 0.000 0.259 6 Y C -0.297 175.520 175.900 -0.139 0.000 1.113 6 Y CA -0.848 57.143 58.100 -0.182 0.000 1.241 6 Y CB -0.597 37.738 38.460 -0.209 0.000 1.331 6 Y HN -0.140 nan 8.280 nan 0.000 0.570 7 H N 0.826 119.913 119.070 0.030 0.000 2.525 7 H HA 0.300 4.859 4.556 0.005 0.000 0.340 7 H C -1.035 174.528 175.328 0.391 0.000 1.168 7 H CA -1.969 54.170 56.048 0.152 0.000 1.247 7 H CB 1.505 31.259 29.762 -0.012 0.000 1.568 7 H HN 0.209 nan 8.280 nan 0.000 0.536 8 F N 3.479 123.616 119.950 0.312 0.000 2.495 8 F HA 0.272 4.802 4.527 0.005 0.000 0.365 8 F C -0.647 175.248 175.800 0.159 0.000 1.090 8 F CA -0.417 57.673 58.000 0.150 0.000 1.235 8 F CB -0.201 38.545 39.000 -0.424 0.000 1.119 8 F HN 0.407 nan 8.300 nan 0.000 0.562 9 F N 5.857 125.156 119.950 -1.085 0.000 2.668 9 F HA 0.720 5.250 4.527 0.005 0.000 0.309 9 F C -3.151 171.991 175.800 -1.095 0.000 1.117 9 F CA -3.125 54.325 58.000 -0.917 0.000 0.951 9 F CB 0.393 38.930 39.000 -0.773 0.000 1.323 9 F HN 0.193 nan 8.300 nan 0.000 0.451 10 P HA 0.234 nan 4.420 nan 0.000 0.274 10 P C 0.972 177.854 177.300 -0.697 0.000 1.237 10 P CA -0.256 62.470 63.100 -0.624 0.000 0.793 10 P CB 1.418 33.019 31.700 -0.166 0.000 0.977 11 I N -1.814 118.343 120.570 -0.687 0.000 2.614 11 I HA 0.049 4.222 4.170 0.005 0.000 0.258 11 I C 0.672 176.685 176.117 -0.173 0.000 1.189 11 I CA 0.994 61.951 61.300 -0.571 0.000 1.462 11 I CB -0.271 37.390 38.000 -0.565 0.000 1.092 11 I HN 0.305 nan 8.210 nan 0.000 0.442 12 T N -0.492 114.083 114.554 0.034 0.000 2.907 12 T HA 0.521 4.874 4.350 0.005 0.000 0.344 12 T C -0.341 174.572 174.700 0.356 0.000 1.675 12 T CA 0.259 62.484 62.100 0.210 0.000 1.076 12 T CB 0.788 69.742 68.868 0.143 0.000 1.483 12 T HN 1.069 nan 8.240 nan 0.000 0.487 13 G N 2.503 111.514 108.800 0.352 0.000 2.632 13 G HA2 -0.119 3.844 3.960 0.005 0.000 0.224 13 G HA3 -0.119 3.844 3.960 0.005 0.000 0.224 13 G C -0.756 174.439 174.900 0.492 0.000 1.341 13 G CA 0.012 45.334 45.100 0.370 0.000 0.880 13 G HN 1.094 nan 8.290 nan 0.000 0.566 14 W N 1.087 122.578 121.300 0.319 0.000 2.469 14 W HA 0.742 5.405 4.660 0.005 0.000 0.320 14 W C -0.414 176.374 176.519 0.448 0.000 1.086 14 W CA -0.862 56.681 57.345 0.329 0.000 1.211 14 W CB 1.238 30.836 29.460 0.230 0.000 1.298 14 W HN 0.793 nan 8.180 nan 0.000 0.525 15 M N 8.346 127.623 119.600 -0.538 0.000 2.213 15 M HA 0.167 4.650 4.480 0.005 0.000 0.286 15 M C -0.546 175.375 176.300 -0.632 0.000 1.008 15 M CA -0.340 54.820 55.300 -0.234 0.000 0.937 15 M CB 1.276 33.829 32.600 -0.078 0.000 1.600 15 M HN 0.637 nan 8.290 nan 0.000 0.450 16 N N 2.421 120.854 118.700 -0.446 0.000 2.123 16 N HA 0.285 5.028 4.740 0.005 0.000 0.202 16 N C -0.970 174.046 175.510 -0.823 0.000 1.383 16 N CA -0.365 51.964 53.050 -1.202 0.000 0.990 16 N CB -0.413 37.446 38.487 -1.046 0.000 1.258 16 N HN 0.468 nan 8.380 nan 0.000 0.335 17 D N 2.824 122.903 120.400 -0.536 0.000 2.525 17 D HA 0.133 4.777 4.640 0.005 0.000 0.235 17 D C -2.014 174.154 176.300 -0.219 0.000 1.137 17 D CA -0.258 53.560 54.000 -0.303 0.000 0.868 17 D CB -0.033 40.655 40.800 -0.187 0.000 1.180 17 D HN 0.308 nan 8.370 nan 0.000 0.465 18 P HA 0.103 nan 4.420 nan 0.000 0.271 18 P C -0.604 176.539 177.300 -0.261 0.000 1.216 18 P CA -0.309 62.682 63.100 -0.182 0.000 0.771 18 P CB 0.832 32.439 31.700 -0.155 0.000 0.864 19 N N 0.815 119.301 118.700 -0.356 0.000 2.262 19 N HA 0.408 5.151 4.740 0.005 0.000 0.295 19 N C 0.525 175.821 175.510 -0.356 0.000 1.161 19 N CA -0.068 52.646 53.050 -0.561 0.000 0.767 19 N CB 1.526 39.175 38.487 -1.398 0.000 1.499 19 N HN 0.605 nan 8.380 nan 0.000 0.476 20 G N 0.539 109.188 108.800 -0.252 0.000 2.305 20 G HA2 -0.257 3.706 3.960 0.005 0.000 0.287 20 G HA3 -0.257 3.706 3.960 0.005 0.000 0.287 20 G C -0.232 174.779 174.900 0.185 0.000 1.036 20 G CA 0.069 45.168 45.100 -0.001 0.000 0.887 20 G HN 0.456 nan 8.290 nan 0.000 0.505 21 L N -0.282 120.912 121.223 -0.049 0.000 2.500 21 L HA 0.531 4.874 4.340 0.005 0.000 0.272 21 L C 0.785 177.697 176.870 0.069 0.000 1.149 21 L CA 0.216 54.866 54.840 -0.316 0.000 0.897 21 L CB 0.620 42.111 42.059 -0.948 0.000 1.178 21 L HN 0.378 nan 8.230 nan 0.000 0.473 22 I N 3.182 124.047 120.570 0.492 0.000 2.787 22 I HA 0.323 4.496 4.170 0.005 0.000 0.294 22 I C -1.568 175.109 176.117 0.932 0.000 1.365 22 I CA -0.660 61.091 61.300 0.752 0.000 1.029 22 I CB 2.580 40.891 38.000 0.518 0.000 1.313 22 I HN 0.337 nan 8.210 nan 0.000 0.431 23 F N 7.772 128.104 119.950 0.636 0.000 2.391 23 F HA 0.540 5.070 4.527 0.006 0.000 0.359 23 F C -1.521 174.516 175.800 0.395 0.000 1.122 23 F CA -0.249 57.931 58.000 0.299 0.000 1.120 23 F CB 0.752 39.723 39.000 -0.048 0.000 1.142 23 F HN 0.508 nan 8.300 nan 0.000 0.483 24 W N 8.186 129.324 121.300 -0.269 0.000 3.042 24 W HA 0.374 5.037 4.660 0.005 0.000 0.337 24 W C -0.659 175.696 176.519 -0.273 0.000 1.086 24 W CA -1.380 55.870 57.345 -0.158 0.000 1.236 24 W CB 1.047 30.493 29.460 -0.024 0.000 1.381 24 W HN 0.595 nan 8.180 nan 0.000 0.472 25 K N 4.704 124.664 120.400 -0.733 0.000 3.177 25 K HA -0.212 4.112 4.320 0.005 0.000 0.266 25 K C 0.874 177.197 176.600 -0.462 0.000 0.937 25 K CA 1.415 57.308 56.287 -0.656 0.000 0.702 25 K CB -1.533 30.453 32.500 -0.856 0.000 1.365 25 K HN 1.381 nan 8.250 nan 0.000 0.466 26 G N -0.295 108.085 108.800 -0.700 0.000 2.159 26 G HA2 -0.330 3.633 3.960 0.005 0.000 0.256 26 G HA3 -0.330 3.633 3.960 0.005 0.000 0.256 26 G C -0.157 174.466 174.900 -0.462 0.000 0.977 26 G CA 0.906 45.675 45.100 -0.552 0.000 0.652 26 G HN 0.385 nan 8.290 nan 0.000 0.531 27 K N -0.786 119.286 120.400 -0.546 0.000 2.435 27 K HA 0.544 4.867 4.320 0.005 0.000 0.251 27 K C -1.184 175.406 176.600 -0.017 0.000 0.954 27 K CA -1.013 55.186 56.287 -0.147 0.000 0.820 27 K CB 1.668 34.178 32.500 0.017 0.000 1.292 27 K HN 0.077 nan 8.250 nan 0.000 0.436 28 Y N 1.125 121.621 120.300 0.326 0.000 2.383 28 Y HA 0.184 4.737 4.550 0.005 0.000 0.344 28 Y C 0.076 176.272 175.900 0.494 0.000 0.986 28 Y CA -0.346 58.052 58.100 0.498 0.000 1.175 28 Y CB 0.471 39.075 38.460 0.239 0.000 1.152 28 Y HN 0.435 nan 8.280 nan 0.000 0.511 29 H N 3.621 123.115 119.070 0.707 0.000 2.467 29 H HA 0.487 5.046 4.556 0.005 0.000 0.326 29 H C -0.608 174.961 175.328 0.401 0.000 1.094 29 H CA -0.691 55.648 56.048 0.486 0.000 1.253 29 H CB 1.335 31.353 29.762 0.426 0.000 1.439 29 H HN 0.673 nan 8.280 nan 0.000 0.479 30 M N 4.514 124.220 119.600 0.176 0.000 2.197 30 M HA 0.441 4.924 4.480 0.005 0.000 0.301 30 M C -1.742 174.409 176.300 -0.248 0.000 0.987 30 M CA -0.498 54.750 55.300 -0.086 0.000 0.921 30 M CB 0.811 33.165 32.600 -0.411 0.000 1.569 30 M HN 0.361 nan 8.290 nan 0.000 0.431 31 F N 3.795 123.678 119.950 -0.113 0.000 2.457 31 F HA 0.769 5.299 4.527 0.005 0.000 0.330 31 F C -0.575 175.061 175.800 -0.272 0.000 1.069 31 F CA -0.324 57.533 58.000 -0.238 0.000 1.009 31 F CB 1.185 39.953 39.000 -0.387 0.000 1.276 31 F HN 0.577 nan 8.300 nan 0.000 0.492 32 Y N -2.095 118.054 120.300 -0.251 0.000 2.565 32 Y HA 0.401 4.954 4.550 0.005 0.000 0.330 32 Y C -1.270 174.494 175.900 -0.226 0.000 1.150 32 Y CA -1.715 56.210 58.100 -0.293 0.000 1.055 32 Y CB 0.599 38.959 38.460 -0.167 0.000 1.337 32 Y HN 0.365 nan 8.280 nan 0.000 0.457 33 Q N 2.521 122.281 119.800 -0.066 0.000 2.255 33 Q HA 0.085 4.428 4.340 0.005 0.000 0.280 33 Q C -1.558 174.653 176.000 0.352 0.000 1.068 33 Q CA 0.615 56.473 55.803 0.091 0.000 0.911 33 Q CB 0.662 29.471 28.738 0.118 0.000 1.157 33 Q HN 0.739 nan 8.270 nan 0.000 0.380 34 Y N 3.045 123.438 120.300 0.154 0.000 2.396 34 Y HA 0.287 4.840 4.550 0.005 0.000 0.332 34 Y C -1.157 174.843 175.900 0.167 0.000 1.034 34 Y CA -1.873 56.356 58.100 0.215 0.000 1.057 34 Y CB 1.440 39.923 38.460 0.038 0.000 1.220 34 Y HN 0.503 nan 8.280 nan 0.000 0.440 35 N N 7.888 126.646 118.700 0.096 0.000 2.564 35 N HA 0.414 5.157 4.740 0.005 0.000 0.248 35 N C -2.407 172.853 175.510 -0.418 0.000 0.986 35 N CA -2.547 50.390 53.050 -0.189 0.000 0.921 35 N CB 1.954 40.423 38.487 -0.030 0.000 1.136 35 N HN 0.323 nan 8.380 nan 0.000 0.509 36 P HA -0.017 nan 4.420 nan 0.000 0.237 36 P C 0.654 177.882 177.300 -0.120 0.000 1.178 36 P CA 0.603 63.398 63.100 -0.508 0.000 0.766 36 P CB 0.541 31.974 31.700 -0.445 0.000 0.876 37 R N -0.383 120.064 120.500 -0.089 0.000 2.115 37 R HA 0.132 4.475 4.340 0.005 0.000 0.226 37 R C 0.900 177.218 176.300 0.031 0.000 1.100 37 R CA 0.901 56.990 56.100 -0.018 0.000 0.980 37 R CB 0.038 30.323 30.300 -0.027 0.000 0.875 37 R HN 0.157 nan 8.270 nan 0.000 0.445 38 K N -0.852 119.588 120.400 0.067 0.000 2.610 38 K HA 0.150 4.473 4.320 0.005 0.000 0.278 38 K C -2.752 173.964 176.600 0.194 0.000 0.964 38 K CA -1.526 54.822 56.287 0.102 0.000 0.859 38 K CB 2.717 35.257 32.500 0.066 0.000 1.434 38 K HN -0.223 nan 8.250 nan 0.000 0.410 39 P HA 0.050 nan 4.420 nan 0.000 0.246 39 P C -0.975 176.585 177.300 0.434 0.000 1.686 39 P CA 0.326 63.628 63.100 0.337 0.000 0.867 39 P CB 0.336 32.152 31.700 0.193 0.000 1.733 40 E N -0.579 119.812 120.200 0.319 0.000 2.367 40 E HA 0.149 4.502 4.350 0.005 0.000 0.273 40 E C -1.003 175.406 176.600 -0.318 0.000 0.903 40 E CA -0.834 55.584 56.400 0.030 0.000 0.764 40 E CB 1.296 30.995 29.700 -0.002 0.000 1.252 40 E HN 0.089 nan 8.360 nan 0.000 0.446 41 W N 1.404 121.991 121.300 -1.189 0.000 2.223 41 W HA 0.366 5.030 4.660 0.005 0.000 0.334 41 W C 0.396 176.693 176.519 -0.370 0.000 1.334 41 W CA 1.621 58.356 57.345 -1.017 0.000 1.246 41 W CB 0.483 29.429 29.460 -0.857 0.000 1.184 41 W HN 0.582 nan 8.180 nan 0.000 0.563 42 G N 3.454 111.677 108.800 -0.961 0.000 2.368 42 G HA2 0.086 4.050 3.960 0.005 0.000 0.303 42 G HA3 0.086 4.050 3.960 0.005 0.000 0.303 42 G C -0.705 173.849 174.900 -0.577 0.000 1.590 42 G CA -0.660 43.983 45.100 -0.761 0.000 0.938 42 G HN 0.747 nan 8.290 nan 0.000 0.675 43 N N -0.629 117.827 118.700 -0.406 0.000 2.669 43 N HA -0.175 4.568 4.740 0.005 0.000 0.266 43 N C 0.271 175.684 175.510 -0.161 0.000 1.024 43 N CA 0.602 53.538 53.050 -0.192 0.000 0.766 43 N CB -0.558 37.861 38.487 -0.112 0.000 0.898 43 N HN 0.552 nan 8.380 nan 0.000 0.548 44 I N 0.771 121.245 120.570 -0.161 0.000 2.371 44 I HA 0.151 4.324 4.170 0.005 0.000 0.290 44 I C 1.082 177.243 176.117 0.073 0.000 1.028 44 I CA -0.338 60.918 61.300 -0.073 0.000 1.345 44 I CB 0.387 38.379 38.000 -0.013 0.000 1.407 44 I HN 0.325 nan 8.210 nan 0.000 0.501 45 C N 5.811 125.140 119.300 0.049 0.000 2.423 45 C HA 0.483 4.947 4.460 0.005 0.000 0.378 45 C C -0.302 174.813 174.990 0.208 0.000 1.244 45 C CA -0.658 58.370 59.018 0.018 0.000 1.978 45 C CB 1.474 29.098 27.740 -0.193 0.000 2.252 45 C HN 0.670 nan 8.230 nan 0.000 0.526 46 W N 1.375 122.532 121.300 -0.238 0.000 2.314 46 W HA 0.526 5.189 4.660 0.005 0.000 0.310 46 W C 0.596 176.929 176.519 -0.311 0.000 1.075 46 W CA -0.455 56.740 57.345 -0.250 0.000 1.253 46 W CB 0.298 29.575 29.460 -0.305 0.000 1.238 46 W HN 0.923 nan 8.180 nan 0.000 0.440 47 G N 1.435 109.960 108.800 -0.459 0.000 2.616 47 G HA2 0.343 4.306 3.960 0.005 0.000 0.268 47 G HA3 0.343 4.306 3.960 0.005 0.000 0.268 47 G C -1.366 173.177 174.900 -0.594 0.000 1.213 47 G CA -0.312 44.258 45.100 -0.883 0.000 0.926 47 G HN 0.617 nan 8.290 nan 0.000 0.523 48 H N -1.196 117.663 119.070 -0.352 0.000 3.026 48 H HA 0.547 5.106 4.556 0.005 0.000 0.352 48 H C -0.785 174.510 175.328 -0.055 0.000 1.090 48 H CA -0.558 55.325 56.048 -0.276 0.000 1.268 48 H CB 1.763 31.403 29.762 -0.204 0.000 1.816 48 H HN 0.819 nan 8.280 nan 0.000 0.518 49 A N 3.777 126.547 122.820 -0.083 0.000 2.527 49 A HA 0.709 5.032 4.320 0.005 0.000 0.293 49 A C -1.605 175.912 177.584 -0.111 0.000 1.117 49 A CA -0.552 51.391 52.037 -0.156 0.000 0.723 49 A CB 2.105 20.843 19.000 -0.438 0.000 1.313 49 A HN 0.419 nan 8.150 nan 0.000 0.411 50 V N 0.508 120.448 119.914 0.042 0.000 2.971 50 V HA 0.843 4.966 4.120 0.005 0.000 0.309 50 V C -0.654 175.503 176.094 0.104 0.000 1.130 50 V CA 0.423 62.733 62.300 0.016 0.000 0.964 50 V CB 2.417 34.045 31.823 -0.325 0.000 1.029 50 V HN 1.924 nan 8.190 nan 0.000 0.427 51 S N 2.508 118.171 115.700 -0.062 0.000 2.588 51 S HA 0.557 5.030 4.470 0.005 0.000 0.275 51 S C -0.384 174.175 174.600 -0.068 0.000 1.130 51 S CA -0.626 57.396 58.200 -0.296 0.000 0.855 51 S CB 1.962 64.521 63.200 -1.070 0.000 1.116 51 S HN 0.623 nan 8.310 nan 0.000 0.472 52 D N 0.769 121.137 120.400 -0.053 0.000 2.323 52 D HA 0.106 4.749 4.640 0.005 0.000 0.209 52 D C 0.354 176.765 176.300 0.186 0.000 0.973 52 D CA 1.132 55.178 54.000 0.077 0.000 0.874 52 D CB 0.016 40.823 40.800 0.012 0.000 0.930 52 D HN 0.796 nan 8.370 nan 0.000 0.521 53 D N -1.095 119.289 120.400 -0.028 0.000 2.672 53 D HA 0.031 4.674 4.640 0.005 0.000 0.287 53 D C 0.953 176.945 176.300 -0.514 0.000 1.559 53 D CA -0.351 53.548 54.000 -0.167 0.000 0.796 53 D CB -0.658 40.078 40.800 -0.106 0.000 1.181 53 D HN 0.007 nan 8.370 nan 0.000 0.458 54 L N -0.687 120.045 121.223 -0.820 0.000 4.625 54 L HA -0.298 4.045 4.340 0.005 0.000 0.428 54 L C 0.596 177.027 176.870 -0.731 0.000 1.129 54 L CA 0.844 55.145 54.840 -0.898 0.000 0.978 54 L CB -1.541 40.032 42.059 -0.810 0.000 2.043 54 L HN 0.208 nan 8.230 nan 0.000 0.847 55 V N -2.949 116.473 119.914 -0.819 0.000 3.102 55 V HA 0.114 4.237 4.120 0.005 0.000 0.225 55 V C 1.034 176.640 176.094 -0.815 0.000 1.301 55 V CA 0.346 62.254 62.300 -0.654 0.000 1.308 55 V CB 0.199 31.709 31.823 -0.522 0.000 1.129 55 V HN 0.304 nan 8.190 nan 0.000 0.502 56 H N 0.203 118.918 119.070 -0.591 0.000 2.820 56 H HA 0.136 4.695 4.556 0.005 0.000 0.248 56 H C -0.803 174.247 175.328 -0.464 0.000 1.714 56 H CA -0.670 55.108 56.048 -0.449 0.000 1.334 56 H CB -0.442 29.139 29.762 -0.302 0.000 1.693 56 H HN 0.396 nan 8.280 nan 0.000 0.548 57 W N 2.300 123.486 121.300 -0.190 0.000 2.190 57 W HA 0.241 4.904 4.660 0.005 0.000 0.330 57 W C 0.712 177.155 176.519 -0.127 0.000 1.299 57 W CA -0.416 56.852 57.345 -0.129 0.000 1.215 57 W CB 0.745 30.212 29.460 0.013 0.000 1.147 57 W HN 0.202 nan 8.180 nan 0.000 0.563 58 R N 1.678 122.292 120.500 0.189 0.000 2.561 58 R HA 0.274 4.617 4.340 0.005 0.000 0.297 58 R C -0.974 175.393 176.300 0.111 0.000 0.969 58 R CA -1.258 54.920 56.100 0.131 0.000 0.879 58 R CB 1.377 31.724 30.300 0.079 0.000 1.178 58 R HN 0.522 nan 8.270 nan 0.000 0.445 59 H N 1.589 120.836 119.070 0.296 0.000 2.732 59 H HA 0.161 4.720 4.556 0.005 0.000 0.351 59 H C -0.166 175.218 175.328 0.092 0.000 1.090 59 H CA 0.148 56.322 56.048 0.210 0.000 1.431 59 H CB 0.618 30.476 29.762 0.160 0.000 1.447 59 H HN -0.006 nan 8.280 nan 0.000 0.582 60 L N 3.548 124.868 121.223 0.162 0.000 2.279 60 L HA 0.424 4.767 4.340 0.005 0.000 0.262 60 L C -2.013 174.943 176.870 0.144 0.000 1.019 60 L CA -2.846 52.029 54.840 0.058 0.000 0.823 60 L CB 0.880 42.807 42.059 -0.220 0.000 1.358 60 L HN 0.563 nan 8.230 nan 0.000 0.432 61 P HA 0.048 nan 4.420 nan 0.000 0.265 61 P C -0.616 176.820 177.300 0.227 0.000 1.187 61 P CA -0.267 62.957 63.100 0.206 0.000 0.766 61 P CB 0.252 32.086 31.700 0.223 0.000 0.820 62 V N 2.388 122.418 119.914 0.193 0.000 2.644 62 V HA -0.000 4.123 4.120 0.005 0.000 0.305 62 V C 1.434 177.569 176.094 0.069 0.000 1.053 62 V CA 1.387 63.732 62.300 0.075 0.000 1.186 62 V CB 0.174 31.966 31.823 -0.052 0.000 0.895 62 V HN 0.791 nan 8.190 nan 0.000 0.490 63 A N 5.707 128.531 122.820 0.005 0.000 1.920 63 A HA 0.422 4.746 4.320 0.005 0.000 0.209 63 A C 0.609 178.067 177.584 -0.210 0.000 1.229 63 A CA 0.491 52.508 52.037 -0.033 0.000 0.671 63 A CB 0.167 19.071 19.000 -0.160 0.000 0.886 63 A HN 0.611 nan 8.150 nan 0.000 0.461 64 L N -0.266 120.752 121.223 -0.340 0.000 2.385 64 L HA 0.538 4.881 4.340 0.005 0.000 0.273 64 L C -1.625 175.035 176.870 -0.350 0.000 0.990 64 L CA -0.700 53.897 54.840 -0.406 0.000 0.821 64 L CB 1.840 43.418 42.059 -0.802 0.000 1.279 64 L HN 0.315 nan 8.230 nan 0.000 0.412 65 Y N 2.369 122.591 120.300 -0.131 0.000 2.446 65 Y HA 0.475 5.028 4.550 0.005 0.000 0.345 65 Y C -1.978 173.914 175.900 -0.013 0.000 0.984 65 Y CA -2.103 55.970 58.100 -0.045 0.000 1.058 65 Y CB 1.806 40.249 38.460 -0.028 0.000 1.220 65 Y HN 0.381 nan 8.280 nan 0.000 0.455 66 P HA 0.057 nan 4.420 nan 0.000 0.272 66 P C -0.338 177.073 177.300 0.186 0.000 1.223 66 P CA -0.069 63.204 63.100 0.288 0.000 0.784 66 P CB 1.339 33.181 31.700 0.236 0.000 0.923 67 D N 0.139 120.641 120.400 0.170 0.000 2.312 67 D HA -0.032 4.611 4.640 0.005 0.000 0.211 67 D C 0.441 176.719 176.300 -0.038 0.000 0.964 67 D CA 1.388 55.397 54.000 0.015 0.000 0.877 67 D CB 0.133 40.906 40.800 -0.046 0.000 0.924 67 D HN 0.602 nan 8.370 nan 0.000 0.515 68 D N -2.122 118.258 120.400 -0.033 0.000 2.768 68 D HA 0.115 4.758 4.640 0.005 0.000 0.327 68 D C 0.197 176.516 176.300 0.032 0.000 1.302 68 D CA -0.549 53.431 54.000 -0.034 0.000 0.897 68 D CB 0.354 41.096 40.800 -0.096 0.000 1.420 68 D HN -0.369 nan 8.370 nan 0.000 0.494 69 E N -1.003 119.214 120.200 0.028 0.000 2.418 69 E HA 0.060 4.413 4.350 0.005 0.000 0.197 69 E C 1.190 177.826 176.600 0.061 0.000 1.026 69 E CA 1.428 57.849 56.400 0.034 0.000 0.862 69 E CB -0.409 29.299 29.700 0.014 0.000 0.799 69 E HN 0.594 nan 8.360 nan 0.000 0.518 70 T N -2.566 112.064 114.554 0.127 0.000 3.129 70 T HA 0.186 4.540 4.350 0.005 0.000 0.267 70 T C -0.026 174.739 174.700 0.109 0.000 1.018 70 T CA -0.470 61.704 62.100 0.124 0.000 0.903 70 T CB -0.111 68.822 68.868 0.108 0.000 1.067 70 T HN -0.045 nan 8.240 nan 0.000 0.549 71 H N 0.151 119.159 119.070 -0.102 0.000 2.710 71 H HA 0.815 5.374 4.556 0.005 0.000 0.361 71 H C 0.344 175.596 175.328 -0.127 0.000 1.175 71 H CA -0.461 55.446 56.048 -0.234 0.000 1.206 71 H CB 1.669 31.229 29.762 -0.337 0.000 1.750 71 H HN 0.395 nan 8.280 nan 0.000 0.553 72 G N -0.396 108.320 108.800 -0.140 0.000 2.612 72 G HA2 0.470 4.433 3.960 0.005 0.000 0.298 72 G HA3 0.470 4.433 3.960 0.005 0.000 0.298 72 G C -1.352 173.593 174.900 0.074 0.000 1.336 72 G CA -0.736 44.374 45.100 0.017 0.000 0.953 72 G HN 0.487 nan 8.290 nan 0.000 0.482 73 V N 2.816 122.910 119.914 0.301 0.000 2.284 73 V HA 0.311 4.434 4.120 0.005 0.000 0.260 73 V C -0.121 176.357 176.094 0.640 0.000 1.084 73 V CA -0.689 61.825 62.300 0.358 0.000 0.894 73 V CB -0.709 31.104 31.823 -0.017 0.000 1.119 73 V HN 0.457 nan 8.190 nan 0.000 0.484 74 F N 1.327 121.511 119.950 0.390 0.000 2.239 74 F HA 0.391 4.921 4.527 0.005 0.000 0.288 74 F C 1.436 177.524 175.800 0.479 0.000 1.225 74 F CA -0.855 57.358 58.000 0.355 0.000 1.162 74 F CB 0.407 39.551 39.000 0.240 0.000 1.484 74 F HN 0.309 nan 8.300 nan 0.000 0.512 75 S N -0.861 115.110 115.700 0.451 0.000 2.600 75 S HA 0.597 5.071 4.470 0.005 0.000 0.265 75 S C 0.337 175.150 174.600 0.354 0.000 1.325 75 S CA 0.239 58.595 58.200 0.260 0.000 1.002 75 S CB 0.946 64.176 63.200 0.050 0.000 0.921 75 S HN 0.938 nan 8.310 nan 0.000 0.554 76 G N 0.299 109.261 108.800 0.271 0.000 2.428 76 G HA2 0.532 4.495 3.960 0.005 0.000 0.304 76 G HA3 0.532 4.495 3.960 0.005 0.000 0.304 76 G C -1.202 173.799 174.900 0.168 0.000 1.303 76 G CA -0.196 45.085 45.100 0.302 0.000 0.825 76 G HN 0.953 nan 8.290 nan 0.000 0.484 77 S N -1.462 114.340 115.700 0.170 0.000 2.745 77 S HA 0.954 5.427 4.470 0.005 0.000 0.306 77 S C -0.286 174.347 174.600 0.054 0.000 1.137 77 S CA -0.005 58.240 58.200 0.075 0.000 0.900 77 S CB 1.787 65.017 63.200 0.050 0.000 1.176 77 S HN 2.328 nan 8.310 nan 0.000 0.520 78 A N -0.017 122.802 122.820 -0.002 0.000 2.454 78 A HA 0.898 5.221 4.320 0.005 0.000 0.302 78 A C -1.104 176.301 177.584 -0.298 0.000 1.079 78 A CA -0.817 51.164 52.037 -0.093 0.000 0.731 78 A CB 1.653 20.641 19.000 -0.020 0.000 1.299 78 A HN 1.036 nan 8.150 nan 0.000 0.413 79 V N 0.339 119.963 119.914 -0.484 0.000 3.159 79 V HA 0.517 4.640 4.120 0.005 0.000 0.308 79 V C -0.781 175.033 176.094 -0.466 0.000 1.190 79 V CA -0.573 61.073 62.300 -1.090 0.000 1.037 79 V CB 2.271 33.566 31.823 -0.880 0.000 1.060 79 V HN 1.002 nan 8.190 nan 0.000 0.437 80 E N 2.574 122.638 120.200 -0.228 0.000 2.158 80 E HA 0.566 4.919 4.350 0.005 0.000 0.271 80 E C -1.113 175.697 176.600 0.349 0.000 0.911 80 E CA -0.625 55.957 56.400 0.303 0.000 0.767 80 E CB 1.467 31.530 29.700 0.605 0.000 1.120 80 E HN 0.584 nan 8.360 nan 0.000 0.405 81 K N 4.438 125.023 120.400 0.308 0.000 2.507 81 K HA 0.189 4.513 4.320 0.005 0.000 0.251 81 K C -1.142 175.631 176.600 0.289 0.000 0.943 81 K CA -0.465 55.965 56.287 0.238 0.000 0.794 81 K CB 0.979 33.348 32.500 -0.218 0.000 1.188 81 K HN 0.475 nan 8.250 nan 0.000 0.428 82 D N 3.616 124.158 120.400 0.237 0.000 2.708 82 D HA -0.202 4.441 4.640 0.005 0.000 0.236 82 D C 0.764 177.200 176.300 0.227 0.000 1.146 82 D CA 1.944 56.067 54.000 0.205 0.000 0.662 82 D CB -1.248 39.669 40.800 0.196 0.000 1.059 82 D HN 1.121 nan 8.370 nan 0.000 0.428 83 G N -0.970 107.981 108.800 0.250 0.000 2.245 83 G HA2 -0.394 3.569 3.960 0.005 0.000 0.264 83 G HA3 -0.394 3.569 3.960 0.005 0.000 0.264 83 G C 0.450 175.614 174.900 0.440 0.000 0.985 83 G CA 0.965 46.211 45.100 0.243 0.000 0.625 83 G HN 0.529 nan 8.290 nan 0.000 0.536 84 K N -0.094 120.581 120.400 0.459 0.000 2.087 84 K HA 0.650 4.973 4.320 0.005 0.000 0.255 84 K C 0.279 177.096 176.600 0.362 0.000 0.988 84 K CA -0.711 55.834 56.287 0.431 0.000 0.915 84 K CB 1.246 33.894 32.500 0.246 0.000 1.043 84 K HN 0.205 nan 8.250 nan 0.000 0.457 85 M N 2.747 122.257 119.600 -0.149 0.000 2.108 85 M HA 0.300 4.783 4.480 0.005 0.000 0.354 85 M C -1.580 174.569 176.300 -0.252 0.000 1.229 85 M CA -0.372 54.660 55.300 -0.447 0.000 1.081 85 M CB 0.318 32.266 32.600 -1.086 0.000 1.606 85 M HN 0.380 nan 8.290 nan 0.000 0.467 86 F N 5.072 124.871 119.950 -0.252 0.000 2.469 86 F HA 0.552 5.083 4.527 0.006 0.000 0.332 86 F C -0.637 175.020 175.800 -0.239 0.000 1.103 86 F CA -0.584 57.286 58.000 -0.215 0.000 0.979 86 F CB 1.521 40.358 39.000 -0.273 0.000 1.137 86 F HN 0.406 nan 8.300 nan 0.000 0.463 87 L N 4.039 125.227 121.223 -0.060 0.000 2.322 87 L HA 0.704 5.047 4.340 0.005 0.000 0.281 87 L C -1.004 175.860 176.870 -0.010 0.000 1.014 87 L CA -1.015 53.737 54.840 -0.146 0.000 0.815 87 L CB 1.729 43.495 42.059 -0.489 0.000 1.247 87 L HN 0.238 nan 8.230 nan 0.000 0.421 88 V N 3.614 123.535 119.914 0.011 0.000 2.409 88 V HA 0.524 4.647 4.120 0.005 0.000 0.291 88 V C -0.908 175.209 176.094 0.039 0.000 1.020 88 V CA -0.639 61.628 62.300 -0.055 0.000 0.848 88 V CB 1.217 32.956 31.823 -0.139 0.000 0.990 88 V HN 0.664 nan 8.190 nan 0.000 0.430 89 Y N 1.047 121.267 120.300 -0.134 0.000 2.597 89 Y HA 0.750 5.303 4.550 0.005 0.000 0.340 89 Y C -0.289 175.599 175.900 -0.019 0.000 1.097 89 Y CA -1.219 56.865 58.100 -0.027 0.000 1.037 89 Y CB 1.263 39.612 38.460 -0.185 0.000 1.305 89 Y HN 0.349 nan 8.280 nan 0.000 0.463 90 T N 2.745 117.409 114.554 0.184 0.000 2.832 90 T HA 0.181 4.534 4.350 0.005 0.000 0.296 90 T C -1.503 173.380 174.700 0.305 0.000 0.968 90 T CA 0.041 62.218 62.100 0.128 0.000 1.107 90 T CB -0.053 68.927 68.868 0.186 0.000 0.916 90 T HN 0.548 nan 8.240 nan 0.000 0.517 91 Y N 3.859 124.162 120.300 0.004 0.000 2.335 91 Y HA 0.461 5.014 4.550 0.005 0.000 0.339 91 Y C -0.855 174.995 175.900 -0.083 0.000 0.987 91 Y CA -1.937 56.181 58.100 0.030 0.000 1.140 91 Y CB 0.589 39.077 38.460 0.047 0.000 1.173 91 Y HN 0.668 nan 8.280 nan 0.000 0.486 92 Y N 6.716 126.549 120.300 -0.779 0.000 2.360 92 Y HA 0.576 5.129 4.550 0.005 0.000 0.337 92 Y C -0.736 174.611 175.900 -0.923 0.000 1.039 92 Y CA -0.933 56.644 58.100 -0.872 0.000 1.109 92 Y CB 0.815 38.326 38.460 -1.582 0.000 1.201 92 Y HN 0.656 nan 8.280 nan 0.000 0.458 93 R N 4.905 124.584 120.500 -1.368 0.000 2.437 93 R HA 0.250 4.593 4.340 0.005 0.000 0.310 93 R C -1.157 174.362 176.300 -1.302 0.000 0.955 93 R CA -0.757 54.528 56.100 -1.358 0.000 0.851 93 R CB 0.733 30.443 30.300 -0.983 0.000 1.161 93 R HN 0.765 nan 8.270 nan 0.000 0.446 94 D N 5.077 125.006 120.400 -0.786 0.000 2.443 94 D HA 0.044 4.688 4.640 0.005 0.000 0.234 94 D C -2.167 173.969 176.300 -0.274 0.000 1.172 94 D CA -0.775 53.031 54.000 -0.324 0.000 0.878 94 D CB 0.688 41.433 40.800 -0.093 0.000 1.204 94 D HN 0.345 nan 8.370 nan 0.000 0.453 95 P HA 0.092 nan 4.420 nan 0.000 0.269 95 P C -0.353 176.907 177.300 -0.066 0.000 1.209 95 P CA -0.189 62.858 63.100 -0.088 0.000 0.776 95 P CB 0.473 32.161 31.700 -0.019 0.000 0.876 96 T N -2.248 112.277 114.554 -0.050 0.000 2.918 96 T HA 0.293 4.646 4.350 0.005 0.000 0.286 96 T C 1.052 175.785 174.700 0.055 0.000 1.026 96 T CA -0.455 61.632 62.100 -0.023 0.000 1.031 96 T CB 0.592 69.444 68.868 -0.026 0.000 1.046 96 T HN 0.396 nan 8.240 nan 0.000 0.479 97 H N 1.019 120.075 119.070 -0.024 0.000 2.400 97 H HA -0.164 4.395 4.556 0.005 0.000 0.295 97 H C 2.046 177.359 175.328 -0.024 0.000 1.118 97 H CA 1.980 58.016 56.048 -0.020 0.000 1.256 97 H CB 0.198 29.950 29.762 -0.015 0.000 1.365 97 H HN 0.634 nan 8.280 nan 0.000 0.502 98 N N -0.117 118.641 118.700 0.096 0.000 2.368 98 N HA -0.014 4.729 4.740 0.005 0.000 0.176 98 N C -0.128 175.386 175.510 0.006 0.000 1.021 98 N CA 0.448 53.516 53.050 0.030 0.000 0.888 98 N CB 0.505 39.004 38.487 0.019 0.000 0.995 98 N HN 0.258 nan 8.380 nan 0.000 0.437 99 K N 0.159 120.559 120.400 0.000 0.000 2.267 99 K HA 0.400 4.723 4.320 0.005 0.000 0.246 99 K C 0.069 176.650 176.600 -0.032 0.000 0.954 99 K CA -0.739 55.535 56.287 -0.023 0.000 0.824 99 K CB 2.098 34.576 32.500 -0.036 0.000 1.167 99 K HN -0.081 nan 8.250 nan 0.000 0.431 100 G N 0.618 109.393 108.800 -0.041 0.000 2.611 100 G HA2 0.034 3.997 3.960 0.005 0.000 0.273 100 G HA3 0.034 3.997 3.960 0.005 0.000 0.273 100 G C -0.392 174.453 174.900 -0.092 0.000 1.305 100 G CA -0.374 44.697 45.100 -0.048 0.000 1.010 100 G HN 0.754 nan 8.290 nan 0.000 0.509 101 E N -1.144 118.996 120.200 -0.101 0.000 2.409 101 E HA 0.376 4.730 4.350 0.005 0.000 0.257 101 E C -0.445 176.035 176.600 -0.200 0.000 1.150 101 E CA -0.304 55.963 56.400 -0.222 0.000 0.942 101 E CB 0.840 30.446 29.700 -0.158 0.000 0.979 101 E HN 0.317 nan 8.360 nan 0.000 0.447 102 K N 0.750 120.953 120.400 -0.329 0.000 2.443 102 K HA 0.246 4.569 4.320 0.005 0.000 0.252 102 K C -1.536 174.947 176.600 -0.194 0.000 0.933 102 K CA -0.421 55.748 56.287 -0.196 0.000 0.792 102 K CB 1.946 34.336 32.500 -0.183 0.000 1.185 102 K HN 0.568 nan 8.250 nan 0.000 0.425 103 E N 2.175 122.383 120.200 0.014 0.000 2.199 103 E HA 0.291 4.644 4.350 0.005 0.000 0.265 103 E C -1.076 175.624 176.600 0.167 0.000 0.882 103 E CA -0.856 55.606 56.400 0.105 0.000 0.759 103 E CB 2.060 31.910 29.700 0.250 0.000 1.148 103 E HN 0.728 nan 8.360 nan 0.000 0.412 104 T N 0.005 114.608 114.554 0.082 0.000 2.916 104 T HA 0.418 4.771 4.350 0.005 0.000 0.292 104 T C -0.540 174.117 174.700 -0.072 0.000 1.064 104 T CA -1.164 60.973 62.100 0.062 0.000 1.011 104 T CB 1.708 70.612 68.868 0.061 0.000 1.152 104 T HN 0.133 nan 8.240 nan 0.000 0.510 105 Q N 0.390 120.088 119.800 -0.170 0.000 2.293 105 Q HA 0.624 4.967 4.340 0.005 0.000 0.261 105 Q C -0.795 175.005 176.000 -0.334 0.000 0.960 105 Q CA -0.491 55.114 55.803 -0.330 0.000 0.882 105 Q CB 1.574 30.022 28.738 -0.483 0.000 1.275 105 Q HN 0.848 nan 8.270 nan 0.000 0.445 106 C N 0.892 119.861 119.300 -0.552 0.000 2.971 106 C HA 0.843 5.306 4.460 0.005 0.000 0.310 106 C C -0.205 174.391 174.990 -0.656 0.000 1.285 106 C CA -0.624 58.034 59.018 -0.601 0.000 1.593 106 C CB 2.371 29.635 27.740 -0.793 0.000 2.076 106 C HN 0.631 nan 8.230 nan 0.000 0.472 107 V N 1.376 121.144 119.914 -0.243 0.000 2.789 107 V HA 0.768 4.891 4.120 0.005 0.000 0.311 107 V C -0.641 175.544 176.094 0.152 0.000 1.073 107 V CA -0.401 61.907 62.300 0.015 0.000 0.921 107 V CB 1.882 33.811 31.823 0.176 0.000 1.009 107 V HN 0.694 nan 8.190 nan 0.000 0.426 108 V N 5.006 125.005 119.914 0.141 0.000 2.962 108 V HA 0.664 4.787 4.120 0.005 0.000 0.313 108 V C -0.593 175.421 176.094 -0.134 0.000 1.099 108 V CA -0.559 61.761 62.300 0.033 0.000 0.971 108 V CB 2.327 34.131 31.823 -0.032 0.000 1.028 108 V HN 0.918 nan 8.190 nan 0.000 0.430 109 M N 2.615 122.060 119.600 -0.257 0.000 2.518 109 M HA 0.675 5.158 4.480 0.005 0.000 0.300 109 M C -0.777 175.264 176.300 -0.430 0.000 1.175 109 M CA -0.477 54.444 55.300 -0.632 0.000 0.890 109 M CB 2.257 34.333 32.600 -0.873 0.000 1.710 109 M HN 0.504 nan 8.290 nan 0.000 0.453 110 S N -0.002 115.383 115.700 -0.526 0.000 2.548 110 S HA 0.379 4.852 4.470 0.005 0.000 0.276 110 S C -0.117 174.278 174.600 -0.342 0.000 1.129 110 S CA -0.599 57.257 58.200 -0.573 0.000 0.931 110 S CB 1.490 64.003 63.200 -1.145 0.000 1.068 110 S HN 0.850 nan 8.310 nan 0.000 0.480 111 E N 2.160 122.252 120.200 -0.180 0.000 2.400 111 E HA -0.009 4.344 4.350 0.005 0.000 0.195 111 E C 0.638 177.364 176.600 0.211 0.000 1.012 111 E CA 0.401 56.829 56.400 0.047 0.000 0.875 111 E CB 0.103 29.820 29.700 0.028 0.000 0.859 111 E HN 0.725 nan 8.360 nan 0.000 0.498 112 N N -0.860 117.883 118.700 0.071 0.000 2.166 112 N HA 0.068 4.811 4.740 0.005 0.000 0.213 112 N C 1.161 176.802 175.510 0.219 0.000 1.222 112 N CA 0.660 53.836 53.050 0.210 0.000 0.900 112 N CB 0.868 39.408 38.487 0.088 0.000 1.055 112 N HN 0.097 nan 8.380 nan 0.000 0.515 113 G N 0.062 108.752 108.800 -0.184 0.000 2.159 113 G HA2 -0.238 3.726 3.960 0.005 0.000 0.256 113 G HA3 -0.238 3.726 3.960 0.005 0.000 0.256 113 G C 0.236 175.242 174.900 0.176 0.000 0.977 113 G CA 0.666 45.675 45.100 -0.151 0.000 0.652 113 G HN 0.309 nan 8.290 nan 0.000 0.531 114 L N -0.226 120.972 121.223 -0.043 0.000 2.758 114 L HA 0.408 4.751 4.340 0.005 0.000 0.234 114 L C 0.017 176.919 176.870 0.053 0.000 1.049 114 L CA 0.685 55.626 54.840 0.168 0.000 0.908 114 L CB 0.263 42.407 42.059 0.143 0.000 1.362 114 L HN 0.154 nan 8.230 nan 0.000 0.499 115 D N -0.142 120.105 120.400 -0.255 0.000 2.308 115 D HA 0.460 5.103 4.640 0.005 0.000 0.242 115 D C -0.973 175.026 176.300 -0.502 0.000 1.059 115 D CA 0.006 53.896 54.000 -0.183 0.000 0.830 115 D CB 1.454 42.193 40.800 -0.102 0.000 1.161 115 D HN -0.202 nan 8.370 nan 0.000 0.494 116 F N 0.773 120.695 119.950 -0.047 0.000 2.482 116 F HA 0.401 4.931 4.527 0.005 0.000 0.331 116 F C 0.295 176.027 175.800 -0.114 0.000 1.115 116 F CA -1.168 56.760 58.000 -0.120 0.000 0.955 116 F CB 1.975 40.875 39.000 -0.166 0.000 1.136 116 F HN 0.040 nan 8.300 nan 0.000 0.452 117 V N 0.118 120.034 119.914 0.003 0.000 2.588 117 V HA 0.574 4.697 4.120 0.005 0.000 0.304 117 V C -0.490 175.591 176.094 -0.022 0.000 1.042 117 V CA -1.419 60.866 62.300 -0.025 0.000 0.877 117 V CB 1.504 33.295 31.823 -0.052 0.000 0.996 117 V HN 0.681 nan 8.190 nan 0.000 0.425 118 K N 3.118 123.503 120.400 -0.024 0.000 2.489 118 K HA 0.156 4.479 4.320 0.005 0.000 0.278 118 K C -0.467 176.146 176.600 0.021 0.000 1.000 118 K CA -0.081 56.200 56.287 -0.010 0.000 1.012 118 K CB 0.278 32.740 32.500 -0.063 0.000 0.903 118 K HN 0.810 nan 8.250 nan 0.000 0.485 119 Y N 3.240 123.498 120.300 -0.070 0.000 2.544 119 Y HA -0.112 4.441 4.550 0.006 0.000 0.330 119 Y C 0.851 176.661 175.900 -0.150 0.000 1.136 119 Y CA 0.028 58.057 58.100 -0.118 0.000 1.417 119 Y CB 0.280 38.690 38.460 -0.083 0.000 1.229 119 Y HN 0.680 nan 8.280 nan 0.000 0.532 120 D N 3.735 123.770 120.400 -0.609 0.000 2.221 120 D HA -0.118 4.525 4.640 0.005 0.000 0.204 120 D C 1.781 177.639 176.300 -0.736 0.000 0.982 120 D CA 1.704 55.369 54.000 -0.557 0.000 0.857 120 D CB -0.123 40.424 40.800 -0.421 0.000 0.934 120 D HN 0.873 nan 8.370 nan 0.000 0.475 121 G N -0.018 107.884 108.800 -1.495 0.000 3.233 121 G HA2 -0.067 3.896 3.960 0.005 0.000 0.227 121 G HA3 -0.067 3.896 3.960 0.005 0.000 0.227 121 G C 0.587 175.259 174.900 -0.380 0.000 1.175 121 G CA -0.366 44.176 45.100 -0.930 0.000 0.781 121 G HN 0.067 nan 8.290 nan 0.000 0.542 122 N N 2.043 120.583 118.700 -0.266 0.000 2.395 122 N HA 0.165 4.908 4.740 0.005 0.000 0.246 122 N C -2.047 173.425 175.510 -0.063 0.000 1.246 122 N CA -0.605 52.420 53.050 -0.042 0.000 0.879 122 N CB 0.974 39.417 38.487 -0.072 0.000 1.098 122 N HN 0.152 nan 8.380 nan 0.000 0.444 123 P HA 0.141 nan 4.420 nan 0.000 0.281 123 P C 0.643 177.974 177.300 0.051 0.000 1.249 123 P CA -0.424 62.670 63.100 -0.011 0.000 0.810 123 P CB 1.206 32.900 31.700 -0.011 0.000 1.008 124 V N 1.805 121.758 119.914 0.064 0.000 2.591 124 V HA -0.006 4.117 4.120 0.005 0.000 0.249 124 V C 1.092 177.249 176.094 0.104 0.000 1.053 124 V CA 1.240 63.634 62.300 0.157 0.000 1.068 124 V CB -0.268 31.671 31.823 0.193 0.000 0.689 124 V HN 0.433 nan 8.190 nan 0.000 0.462 125 I N -0.378 120.164 120.570 -0.047 0.000 2.468 125 I HA 0.217 4.391 4.170 0.005 0.000 0.285 125 I C 0.879 177.017 176.117 0.035 0.000 1.039 125 I CA -0.008 61.269 61.300 -0.039 0.000 1.074 125 I CB 2.009 39.846 38.000 -0.272 0.000 1.228 125 I HN 0.066 nan 8.210 nan 0.000 0.436 126 S N 4.506 120.251 115.700 0.076 0.000 2.486 126 S HA 0.181 4.655 4.470 0.005 0.000 0.220 126 S C 0.545 175.190 174.600 0.075 0.000 1.011 126 S CA 0.101 58.342 58.200 0.068 0.000 0.921 126 S CB 0.139 63.367 63.200 0.046 0.000 0.785 126 S HN 0.658 nan 8.310 nan 0.000 0.517 127 K N 0.421 120.860 120.400 0.065 0.000 2.556 127 K HA 0.568 4.891 4.320 0.005 0.000 0.274 127 K C -3.750 172.664 176.600 -0.311 0.000 0.966 127 K CA -1.972 54.264 56.287 -0.085 0.000 0.865 127 K CB 0.300 32.749 32.500 -0.085 0.000 1.444 127 K HN -0.106 nan 8.250 nan 0.000 0.433 128 P HA 0.229 nan 4.420 nan 0.000 0.274 128 P C -1.887 175.150 177.300 -0.439 0.000 1.246 128 P CA -1.068 61.419 63.100 -1.023 0.000 0.795 128 P CB -0.007 31.097 31.700 -0.993 0.000 1.006 129 P HA 0.040 nan 4.420 nan 0.000 0.224 129 P C -0.122 177.017 177.300 -0.268 0.000 1.157 129 P CA 1.216 64.040 63.100 -0.461 0.000 0.799 129 P CB 0.709 31.694 31.700 -1.191 0.000 0.809 130 E N -0.515 119.554 120.200 -0.219 0.000 2.393 130 E HA 0.346 4.699 4.350 0.005 0.000 0.273 130 E C -0.898 175.638 176.600 -0.107 0.000 0.918 130 E CA -0.950 55.382 56.400 -0.114 0.000 0.773 130 E CB 1.360 31.025 29.700 -0.059 0.000 1.275 130 E HN -0.200 nan 8.360 nan 0.000 0.451 131 E N -0.039 120.122 120.200 -0.065 0.000 2.404 131 E HA 0.313 4.666 4.350 0.005 0.000 0.261 131 E C 0.755 177.338 176.600 -0.029 0.000 1.074 131 E CA 1.323 57.693 56.400 -0.050 0.000 0.917 131 E CB 0.610 30.291 29.700 -0.031 0.000 0.965 131 E HN 0.758 nan 8.360 nan 0.000 0.433 132 G N 1.871 110.665 108.800 -0.010 0.000 2.143 132 G HA2 -0.273 3.690 3.960 0.005 0.000 0.248 132 G HA3 -0.273 3.690 3.960 0.005 0.000 0.248 132 G C 0.227 175.166 174.900 0.065 0.000 0.991 132 G CA 0.569 45.691 45.100 0.036 0.000 0.689 132 G HN 0.709 nan 8.290 nan 0.000 0.522 133 T N -0.523 114.033 114.554 0.004 0.000 2.799 133 T HA 0.693 5.047 4.350 0.005 0.000 0.286 133 T C 0.290 175.023 174.700 0.054 0.000 0.973 133 T CA 0.080 62.161 62.100 -0.032 0.000 1.035 133 T CB 1.776 70.571 68.868 -0.122 0.000 0.932 133 T HN 0.839 nan 8.240 nan 0.000 0.469 134 H N 0.764 119.853 119.070 0.032 0.000 3.218 134 H HA 0.649 5.208 4.556 0.006 0.000 0.303 134 H C 0.665 176.078 175.328 0.143 0.000 1.605 134 H CA -0.838 55.255 56.048 0.074 0.000 1.298 134 H CB 0.682 30.476 29.762 0.052 0.000 1.856 134 H HN 1.017 nan 8.280 nan 0.000 0.656 135 A N -0.081 122.902 122.820 0.272 0.000 2.665 135 A HA -0.277 4.047 4.320 0.005 0.000 0.301 135 A C -0.219 177.492 177.584 0.212 0.000 1.509 135 A CA 0.899 53.055 52.037 0.198 0.000 0.789 135 A CB -2.811 16.253 19.000 0.107 0.000 1.024 135 A HN 0.532 nan 8.150 nan 0.000 0.460 136 F N 1.674 121.672 119.950 0.080 0.000 2.619 136 F HA 0.492 5.022 4.527 0.005 0.000 0.350 136 F C 0.908 176.751 175.800 0.071 0.000 1.259 136 F CA 0.306 58.339 58.000 0.054 0.000 1.204 136 F CB -0.302 38.721 39.000 0.040 0.000 1.556 136 F HN 0.657 nan 8.300 nan 0.000 0.650 137 R N 2.549 123.000 120.500 -0.082 0.000 2.712 137 R HA 0.399 4.742 4.340 0.005 0.000 0.272 137 R C -1.436 174.831 176.300 -0.056 0.000 1.032 137 R CA -0.866 55.194 56.100 -0.068 0.000 0.874 137 R CB 0.909 31.289 30.300 0.134 0.000 1.256 137 R HN 0.137 nan 8.270 nan 0.000 0.468 138 D N 0.969 121.358 120.400 -0.019 0.000 3.335 138 D HA -0.056 4.587 4.640 0.005 0.000 0.254 138 D C -2.443 173.826 176.300 -0.052 0.000 1.055 138 D CA 0.122 54.125 54.000 0.006 0.000 0.971 138 D CB 0.035 40.845 40.800 0.016 0.000 0.990 138 D HN 0.455 nan 8.370 nan 0.000 0.423 139 P HA 0.144 nan 4.420 nan 0.000 0.275 139 P C -0.298 176.958 177.300 -0.073 0.000 1.276 139 P CA -0.109 62.892 63.100 -0.165 0.000 0.782 139 P CB 0.750 32.267 31.700 -0.306 0.000 0.851 140 K N 4.047 124.429 120.400 -0.030 0.000 2.316 140 K HA 0.331 4.654 4.320 0.005 0.000 0.267 140 K C -0.981 175.663 176.600 0.074 0.000 1.025 140 K CA -0.788 55.520 56.287 0.035 0.000 0.896 140 K CB 1.009 33.544 32.500 0.059 0.000 1.124 140 K HN 0.181 nan 8.250 nan 0.000 0.451 141 V N 5.869 125.841 119.914 0.096 0.000 2.435 141 V HA 0.416 4.540 4.120 0.005 0.000 0.290 141 V C 0.373 176.678 176.094 0.352 0.000 1.030 141 V CA -0.898 61.513 62.300 0.184 0.000 0.881 141 V CB 1.434 33.304 31.823 0.078 0.000 0.983 141 V HN 0.849 nan 8.190 nan 0.000 0.445 142 N N 3.762 122.739 118.700 0.462 0.000 2.629 142 N HA 0.594 5.337 4.740 0.005 0.000 0.279 142 N C -1.018 174.839 175.510 0.578 0.000 1.344 142 N CA -1.097 52.294 53.050 0.570 0.000 0.789 142 N CB 2.672 41.369 38.487 0.350 0.000 1.508 142 N HN 0.415 nan 8.380 nan 0.000 0.516 143 R N 0.026 120.766 120.500 0.401 0.000 2.338 143 R HA 0.503 4.846 4.340 0.005 0.000 0.317 143 R C -1.516 174.788 176.300 0.008 0.000 0.968 143 R CA -0.331 55.799 56.100 0.050 0.000 0.849 143 R CB 0.790 31.033 30.300 -0.095 0.000 1.128 143 R HN 0.666 nan 8.270 nan 0.000 0.448 144 S N 3.417 119.093 115.700 -0.039 0.000 2.566 144 S HA 0.320 4.793 4.470 0.005 0.000 0.273 144 S C -1.284 173.284 174.600 -0.053 0.000 1.157 144 S CA -0.670 57.518 58.200 -0.019 0.000 0.938 144 S CB 0.581 63.804 63.200 0.038 0.000 1.087 144 S HN 0.786 nan 8.310 nan 0.000 0.474 145 N N 2.455 121.125 118.700 -0.051 0.000 2.727 145 N HA -0.182 4.561 4.740 0.005 0.000 0.249 145 N C 0.739 176.201 175.510 -0.079 0.000 1.048 145 N CA 1.704 54.724 53.050 -0.050 0.000 0.714 145 N CB -1.639 36.833 38.487 -0.025 0.000 0.959 145 N HN 1.609 nan 8.380 nan 0.000 0.544 146 G N -1.345 107.381 108.800 -0.122 0.000 2.179 146 G HA2 -0.324 3.639 3.960 0.005 0.000 0.257 146 G HA3 -0.324 3.639 3.960 0.005 0.000 0.257 146 G C -0.169 174.600 174.900 -0.219 0.000 1.010 146 G CA 0.935 45.937 45.100 -0.164 0.000 0.736 146 G HN 0.636 nan 8.290 nan 0.000 0.513 147 E N -1.954 118.101 120.200 -0.243 0.000 2.416 147 E HA 0.536 4.889 4.350 0.005 0.000 0.273 147 E C -0.724 175.681 176.600 -0.325 0.000 0.935 147 E CA -1.196 55.062 56.400 -0.238 0.000 0.784 147 E CB 1.222 30.885 29.700 -0.063 0.000 1.301 147 E HN 0.245 nan 8.360 nan 0.000 0.454 148 W N 1.050 122.328 121.300 -0.037 0.000 2.315 148 W HA 0.396 5.059 4.660 0.006 0.000 0.316 148 W C 0.249 176.869 176.519 0.169 0.000 1.211 148 W CA -0.465 56.905 57.345 0.041 0.000 1.201 148 W CB 0.808 30.225 29.460 -0.072 0.000 1.184 148 W HN 0.134 nan 8.180 nan 0.000 0.544 149 R N 2.844 123.649 120.500 0.507 0.000 2.740 149 R HA 0.679 5.023 4.340 0.005 0.000 0.282 149 R C -0.776 175.788 176.300 0.441 0.000 0.969 149 R CA -1.105 55.268 56.100 0.455 0.000 0.918 149 R CB 2.284 32.753 30.300 0.282 0.000 1.175 149 R HN 0.519 nan 8.270 nan 0.000 0.464 150 M N 3.109 122.928 119.600 0.366 0.000 2.259 150 M HA 0.405 4.888 4.480 0.005 0.000 0.304 150 M C -1.259 175.131 176.300 0.150 0.000 1.019 150 M CA -0.977 54.399 55.300 0.128 0.000 0.922 150 M CB 1.882 34.323 32.600 -0.266 0.000 1.600 150 M HN 0.563 nan 8.290 nan 0.000 0.433 151 V N 3.665 123.640 119.914 0.102 0.000 2.547 151 V HA 0.724 4.847 4.120 0.005 0.000 0.299 151 V C -1.132 174.989 176.094 0.045 0.000 1.040 151 V CA -0.686 61.676 62.300 0.103 0.000 0.913 151 V CB 1.715 33.595 31.823 0.095 0.000 0.992 151 V HN 0.948 nan 8.190 nan 0.000 0.449 152 L N 3.431 124.696 121.223 0.070 0.000 2.408 152 L HA 0.768 5.111 4.340 0.005 0.000 0.268 152 L C 0.755 177.654 176.870 0.049 0.000 0.986 152 L CA -0.517 54.324 54.840 0.001 0.000 0.820 152 L CB 2.150 44.181 42.059 -0.047 0.000 1.303 152 L HN 1.009 nan 8.230 nan 0.000 0.411 153 G N 1.381 110.193 108.800 0.022 0.000 2.527 153 G HA2 0.483 4.446 3.960 0.005 0.000 0.248 153 G HA3 0.483 4.446 3.960 0.005 0.000 0.248 153 G C -0.373 174.576 174.900 0.083 0.000 1.231 153 G CA 0.232 45.362 45.100 0.051 0.000 0.838 153 G HN 0.674 nan 8.290 nan 0.000 0.570 154 S N -0.517 115.228 115.700 0.075 0.000 2.615 154 S HA 0.793 5.266 4.470 0.005 0.000 0.268 154 S C -0.483 174.091 174.600 -0.043 0.000 1.146 154 S CA -0.280 57.958 58.200 0.063 0.000 0.818 154 S CB 1.498 64.778 63.200 0.134 0.000 1.111 154 S HN 1.654 nan 8.310 nan 0.000 0.465 155 G N -0.088 108.591 108.800 -0.201 0.000 2.563 155 G HA2 0.668 4.631 3.960 0.005 0.000 0.302 155 G HA3 0.668 4.631 3.960 0.005 0.000 0.302 155 G C -1.666 173.038 174.900 -0.327 0.000 1.301 155 G CA -0.929 43.985 45.100 -0.310 0.000 0.965 155 G HN 0.835 nan 8.290 nan 0.000 0.480 156 K N 1.014 121.322 120.400 -0.152 0.000 2.323 156 K HA 0.453 4.777 4.320 0.005 0.000 0.259 156 K C -0.422 176.189 176.600 0.018 0.000 0.947 156 K CA -0.478 55.775 56.287 -0.057 0.000 0.819 156 K CB 1.015 33.499 32.500 -0.026 0.000 1.109 156 K HN 0.372 nan 8.250 nan 0.000 0.429 157 D N 3.919 124.369 120.400 0.083 0.000 2.837 157 D HA -0.198 4.446 4.640 0.005 0.000 0.230 157 D C -0.703 175.679 176.300 0.137 0.000 1.152 157 D CA 1.540 55.601 54.000 0.100 0.000 0.736 157 D CB -0.895 39.933 40.800 0.046 0.000 1.084 157 D HN 0.994 nan 8.370 nan 0.000 0.429 158 E N -1.906 118.475 120.200 0.302 0.000 2.494 158 E HA -0.361 3.992 4.350 0.005 0.000 0.249 158 E C 1.238 177.909 176.600 0.118 0.000 1.184 158 E CA 1.558 58.112 56.400 0.257 0.000 0.727 158 E CB -0.444 29.319 29.700 0.105 0.000 1.281 158 E HN 0.603 nan 8.360 nan 0.000 0.405 159 K N 0.017 120.467 120.400 0.083 0.000 2.412 159 K HA 0.351 4.674 4.320 0.005 0.000 0.201 159 K C 0.282 176.896 176.600 0.022 0.000 1.275 159 K CA 0.270 56.581 56.287 0.041 0.000 0.910 159 K CB 0.892 33.409 32.500 0.028 0.000 1.346 159 K HN 0.150 nan 8.250 nan 0.000 0.490 160 I N 0.795 121.369 120.570 0.006 0.000 2.722 160 I HA 0.459 4.632 4.170 0.005 0.000 0.295 160 I C -1.016 175.082 176.117 -0.032 0.000 1.161 160 I CA -1.044 60.246 61.300 -0.015 0.000 1.032 160 I CB 2.126 40.108 38.000 -0.031 0.000 1.244 160 I HN 0.211 nan 8.210 nan 0.000 0.421 161 G N 6.257 115.041 108.800 -0.027 0.000 2.390 161 G HA2 0.598 4.561 3.960 0.005 0.000 0.270 161 G HA3 0.598 4.561 3.960 0.005 0.000 0.270 161 G C -0.820 174.052 174.900 -0.046 0.000 1.211 161 G CA -0.463 44.621 45.100 -0.026 0.000 0.842 161 G HN 0.627 nan 8.290 nan 0.000 0.519 162 R N 0.964 121.453 120.500 -0.018 0.000 2.673 162 R HA 0.428 4.771 4.340 0.005 0.000 0.281 162 R C -1.420 174.915 176.300 0.059 0.000 0.991 162 R CA -0.850 55.255 56.100 0.009 0.000 0.896 162 R CB 2.766 33.077 30.300 0.019 0.000 1.201 162 R HN 0.351 nan 8.270 nan 0.000 0.457 163 V N 4.604 124.577 119.914 0.097 0.000 2.370 163 V HA 0.361 4.484 4.120 0.005 0.000 0.279 163 V C 0.094 176.270 176.094 0.137 0.000 1.029 163 V CA -0.602 61.762 62.300 0.106 0.000 0.870 163 V CB 1.274 33.148 31.823 0.085 0.000 0.984 163 V HN 0.478 nan 8.190 nan 0.000 0.451 164 L N 5.510 126.842 121.223 0.182 0.000 2.325 164 L HA 0.604 4.947 4.340 0.005 0.000 0.279 164 L C -0.516 176.492 176.870 0.229 0.000 1.054 164 L CA -0.654 54.337 54.840 0.252 0.000 0.804 164 L CB 1.481 43.787 42.059 0.411 0.000 1.200 164 L HN 0.432 nan 8.230 nan 0.000 0.436 165 L N 2.787 124.086 121.223 0.126 0.000 2.341 165 L HA 0.543 4.886 4.340 0.005 0.000 0.278 165 L C -1.302 175.599 176.870 0.051 0.000 1.005 165 L CA 0.021 54.930 54.840 0.115 0.000 0.818 165 L CB 1.225 43.305 42.059 0.035 0.000 1.259 165 L HN 0.293 nan 8.230 nan 0.000 0.418 166 Y N 1.673 122.105 120.300 0.219 0.000 2.536 166 Y HA 0.744 5.298 4.550 0.005 0.000 0.347 166 Y C 0.281 176.452 175.900 0.451 0.000 1.000 166 Y CA -0.634 57.670 58.100 0.340 0.000 1.051 166 Y CB 2.514 41.166 38.460 0.320 0.000 1.259 166 Y HN 0.668 nan 8.280 nan 0.000 0.468 167 T N -1.531 113.383 114.554 0.600 0.000 2.916 167 T HA 0.796 5.150 4.350 0.005 0.000 0.292 167 T C -0.760 174.081 174.700 0.235 0.000 1.055 167 T CA -0.925 61.435 62.100 0.433 0.000 1.009 167 T CB 1.894 70.891 68.868 0.214 0.000 1.118 167 T HN 0.582 nan 8.240 nan 0.000 0.497 168 S N -0.573 115.076 115.700 -0.085 0.000 2.537 168 S HA 0.399 4.872 4.470 0.005 0.000 0.271 168 S C -0.680 173.816 174.600 -0.173 0.000 1.148 168 S CA -0.644 57.294 58.200 -0.436 0.000 0.868 168 S CB 1.719 63.963 63.200 -1.593 0.000 1.115 168 S HN 0.702 nan 8.310 nan 0.000 0.461 169 D N 1.540 121.854 120.400 -0.143 0.000 2.333 169 D HA 0.093 4.736 4.640 0.005 0.000 0.208 169 D C 0.766 177.061 176.300 -0.009 0.000 0.984 169 D CA 0.857 54.820 54.000 -0.062 0.000 0.873 169 D CB 0.227 40.990 40.800 -0.062 0.000 0.935 169 D HN 0.760 nan 8.370 nan 0.000 0.521 170 D N -1.107 119.199 120.400 -0.157 0.000 2.525 170 D HA 0.012 4.655 4.640 0.005 0.000 0.231 170 D C 1.224 177.002 176.300 -0.870 0.000 1.216 170 D CA -0.299 53.524 54.000 -0.295 0.000 0.813 170 D CB 0.443 41.156 40.800 -0.145 0.000 1.108 170 D HN -0.138 nan 8.370 nan 0.000 0.524 171 L N -1.225 119.388 121.223 -1.016 0.000 4.800 171 L HA -0.247 4.096 4.340 0.005 0.000 0.400 171 L C 0.405 176.761 176.870 -0.857 0.000 0.857 171 L CA 1.038 55.172 54.840 -1.177 0.000 1.908 171 L CB -1.643 39.570 42.059 -1.410 0.000 1.598 171 L HN 0.175 nan 8.230 nan 0.000 0.593 172 F N -1.470 118.166 119.950 -0.523 0.000 2.553 172 F HA 0.308 4.838 4.527 0.006 0.000 0.282 172 F C 1.476 177.028 175.800 -0.414 0.000 1.089 172 F CA -0.024 57.708 58.000 -0.447 0.000 1.411 172 F CB -0.030 38.608 39.000 -0.603 0.000 1.125 172 F HN 0.090 nan 8.300 nan 0.000 0.610 173 H N -1.115 117.860 119.070 -0.159 0.000 2.504 173 H HA 0.232 4.791 4.556 0.005 0.000 0.322 173 H C -1.322 173.869 175.328 -0.227 0.000 1.055 173 H CA -0.832 55.192 56.048 -0.041 0.000 1.231 173 H CB 0.723 30.492 29.762 0.013 0.000 1.417 173 H HN 0.046 nan 8.280 nan 0.000 0.472 174 W N 2.186 123.610 121.300 0.207 0.000 2.736 174 W HA 0.369 5.032 4.660 0.005 0.000 0.335 174 W C 0.017 176.720 176.519 0.307 0.000 1.059 174 W CA -0.860 56.622 57.345 0.228 0.000 1.226 174 W CB 1.819 31.373 29.460 0.156 0.000 1.416 174 W HN 0.377 nan 8.180 nan 0.000 0.505 175 K N 2.897 123.616 120.400 0.532 0.000 2.358 175 K HA 0.277 4.600 4.320 0.005 0.000 0.260 175 K C -1.191 175.640 176.600 0.385 0.000 0.956 175 K CA -0.857 55.660 56.287 0.383 0.000 0.834 175 K CB 0.963 33.595 32.500 0.220 0.000 1.102 175 K HN 0.477 nan 8.250 nan 0.000 0.431 176 Y N 3.528 123.892 120.300 0.106 0.000 2.526 176 Y HA 0.014 4.567 4.550 0.006 0.000 0.330 176 Y C 0.262 176.079 175.900 -0.138 0.000 1.156 176 Y CA 0.452 58.389 58.100 -0.271 0.000 1.419 176 Y CB 0.951 39.264 38.460 -0.245 0.000 1.250 176 Y HN 0.714 nan 8.280 nan 0.000 0.540 177 E N 4.093 123.932 120.200 -0.601 0.000 2.526 177 E HA 0.285 4.639 4.350 0.005 0.000 0.208 177 E C 0.821 177.006 176.600 -0.691 0.000 0.997 177 E CA 0.535 56.653 56.400 -0.469 0.000 0.961 177 E CB 0.227 29.814 29.700 -0.190 0.000 1.030 177 E HN 0.929 nan 8.360 nan 0.000 0.483 178 G N 1.463 109.385 108.800 -1.462 0.000 2.655 178 G HA2 -0.049 3.914 3.960 0.005 0.000 0.680 178 G HA3 -0.049 3.914 3.960 0.005 0.000 0.680 178 G C -0.534 174.167 174.900 -0.332 0.000 1.302 178 G CA -0.566 43.982 45.100 -0.920 0.000 0.872 178 G HN 0.312 nan 8.290 nan 0.000 0.540 179 A N -0.287 122.491 122.820 -0.070 0.000 2.354 179 A HA 0.637 4.960 4.320 0.005 0.000 0.281 179 A C 1.598 179.192 177.584 0.017 0.000 1.174 179 A CA 0.238 52.297 52.037 0.038 0.000 0.828 179 A CB -0.139 18.900 19.000 0.064 0.000 1.099 179 A HN 1.917 nan 8.150 nan 0.000 0.516 180 I N 0.096 120.702 120.570 0.059 0.000 3.419 180 I HA 0.501 4.674 4.170 0.005 0.000 0.286 180 I C 0.074 176.302 176.117 0.185 0.000 1.268 180 I CA 0.277 61.630 61.300 0.088 0.000 1.414 180 I CB 0.014 38.066 38.000 0.087 0.000 1.074 180 I HN 0.465 nan 8.210 nan 0.000 0.457 181 F N 1.984 121.913 119.950 -0.036 0.000 2.708 181 F HA 0.463 4.993 4.527 0.004 0.000 0.309 181 F C -1.723 174.026 175.800 -0.085 0.000 1.120 181 F CA -0.696 57.269 58.000 -0.059 0.000 0.978 181 F CB 1.334 40.288 39.000 -0.076 0.000 1.283 181 F HN 0.240 nan 8.300 nan 0.000 0.439 182 E N 3.131 122.813 120.200 -0.864 0.000 2.383 182 E HA 0.424 4.778 4.350 0.005 0.000 0.275 182 E C -2.343 173.780 176.600 -0.795 0.000 0.918 182 E CA -0.971 55.084 56.400 -0.576 0.000 0.764 182 E CB 2.543 32.070 29.700 -0.288 0.000 1.252 182 E HN 0.440 nan 8.360 nan 0.000 0.449 183 D N 1.611 121.797 120.400 -0.356 0.000 2.542 183 D HA 0.082 4.725 4.640 0.005 0.000 0.252 183 D C 0.107 176.369 176.300 -0.063 0.000 1.222 183 D CA -0.435 53.466 54.000 -0.165 0.000 0.895 183 D CB 1.576 42.418 40.800 0.070 0.000 1.207 183 D HN 0.650 nan 8.370 nan 0.000 0.558 184 E N 0.976 121.140 120.200 -0.060 0.000 2.418 184 E HA -0.072 4.281 4.350 0.005 0.000 0.197 184 E C 1.018 177.623 176.600 0.009 0.000 1.026 184 E CA 0.534 56.918 56.400 -0.028 0.000 0.862 184 E CB 0.015 29.694 29.700 -0.034 0.000 0.799 184 E HN 0.195 nan 8.360 nan 0.000 0.518 185 T N 0.693 115.267 114.554 0.033 0.000 3.035 185 T HA -0.030 4.324 4.350 0.005 0.000 0.268 185 T C 0.400 175.139 174.700 0.065 0.000 1.109 185 T CA 1.338 63.470 62.100 0.055 0.000 1.119 185 T CB -0.012 68.904 68.868 0.080 0.000 0.900 185 T HN 0.352 nan 8.240 nan 0.000 0.503 186 T N -0.385 114.209 114.554 0.067 0.000 2.901 186 T HA 0.455 4.809 4.350 0.005 0.000 0.293 186 T C 0.505 175.236 174.700 0.051 0.000 1.084 186 T CA -0.973 61.171 62.100 0.074 0.000 1.008 186 T CB 2.392 71.325 68.868 0.109 0.000 1.170 186 T HN -0.159 nan 8.240 nan 0.000 0.509 187 K N 0.318 120.753 120.400 0.058 0.000 2.305 187 K HA 0.111 4.434 4.320 0.005 0.000 0.199 187 K C 0.554 177.173 176.600 0.030 0.000 1.047 187 K CA 0.636 56.959 56.287 0.059 0.000 0.976 187 K CB 0.250 32.809 32.500 0.099 0.000 0.765 187 K HN 0.749 nan 8.250 nan 0.000 0.474 188 E N 0.268 120.493 120.200 0.043 0.000 2.372 188 E HA 0.332 4.685 4.350 0.005 0.000 0.279 188 E C -1.158 175.484 176.600 0.070 0.000 0.946 188 E CA -0.692 55.719 56.400 0.019 0.000 0.769 188 E CB 1.556 31.264 29.700 0.013 0.000 1.230 188 E HN -0.109 nan 8.360 nan 0.000 0.442 189 I N 1.842 122.447 120.570 0.058 0.000 2.359 189 I HA 0.212 4.385 4.170 0.005 0.000 0.294 189 I C 0.114 176.293 176.117 0.103 0.000 0.987 189 I CA -0.483 60.879 61.300 0.102 0.000 1.225 189 I CB 1.213 39.221 38.000 0.012 0.000 1.366 189 I HN 0.405 nan 8.210 nan 0.000 0.466 190 E N 4.121 124.407 120.200 0.144 0.000 2.212 190 E HA 0.290 4.643 4.350 0.005 0.000 0.270 190 E C -0.326 176.313 176.600 0.064 0.000 0.956 190 E CA -0.695 55.758 56.400 0.088 0.000 0.825 190 E CB 1.816 31.566 29.700 0.085 0.000 1.167 190 E HN 0.747 nan 8.360 nan 0.000 0.400 191 C N 1.459 120.770 119.300 0.019 0.000 3.899 191 C HA -0.101 4.362 4.460 0.005 0.000 0.297 191 C C -1.902 173.112 174.990 0.039 0.000 1.371 191 C CA -0.717 58.295 59.018 -0.009 0.000 2.088 191 C CB -2.770 24.911 27.740 -0.098 0.000 1.346 191 C HN 0.536 nan 8.230 nan 0.000 0.658 192 P HA 0.467 nan 4.420 nan 0.000 0.274 192 P C -0.338 177.007 177.300 0.076 0.000 1.231 192 P CA 0.755 63.914 63.100 0.097 0.000 0.790 192 P CB 0.874 32.615 31.700 0.068 0.000 0.951 193 D N 1.537 121.991 120.400 0.091 0.000 2.890 193 D HA 0.344 4.987 4.640 0.005 0.000 0.233 193 D C -1.756 174.599 176.300 0.092 0.000 1.306 193 D CA -0.445 53.609 54.000 0.090 0.000 0.929 193 D CB 1.109 41.962 40.800 0.088 0.000 1.512 193 D HN 0.068 nan 8.370 nan 0.000 0.568 194 L N 4.465 125.745 121.223 0.096 0.000 2.305 194 L HA 0.704 5.047 4.340 0.005 0.000 0.284 194 L C -1.507 175.421 176.870 0.095 0.000 1.013 194 L CA -0.446 54.445 54.840 0.086 0.000 0.819 194 L CB 1.391 43.501 42.059 0.085 0.000 1.227 194 L HN 0.245 nan 8.230 nan 0.000 0.417 195 V N 5.016 124.977 119.914 0.078 0.000 3.040 195 V HA 0.657 4.781 4.120 0.005 0.000 0.312 195 V C -0.835 175.291 176.094 0.053 0.000 1.115 195 V CA -0.906 61.438 62.300 0.073 0.000 0.998 195 V CB 2.617 34.486 31.823 0.076 0.000 1.042 195 V HN 0.794 nan 8.190 nan 0.000 0.433 196 R N 2.898 123.425 120.500 0.045 0.000 2.480 196 R HA 0.719 5.063 4.340 0.005 0.000 0.306 196 R C -1.626 174.689 176.300 0.025 0.000 0.958 196 R CA -0.327 55.792 56.100 0.032 0.000 0.861 196 R CB 1.250 31.568 30.300 0.029 0.000 1.171 196 R HN 0.679 nan 8.270 nan 0.000 0.445 197 I N 4.273 124.854 120.570 0.018 0.000 2.439 197 I HA 0.331 4.504 4.170 0.005 0.000 0.283 197 I C 0.348 176.474 176.117 0.016 0.000 1.023 197 I CA -0.914 60.397 61.300 0.017 0.000 1.100 197 I CB 2.077 40.083 38.000 0.010 0.000 1.238 197 I HN 0.960 nan 8.210 nan 0.000 0.445 198 G N 4.874 113.684 108.800 0.017 0.000 2.372 198 G HA2 -0.263 3.700 3.960 0.005 0.000 0.290 198 G HA3 -0.263 3.700 3.960 0.005 0.000 0.290 198 G C 0.469 175.378 174.900 0.015 0.000 0.965 198 G CA 0.856 45.966 45.100 0.017 0.000 1.263 198 G HN 0.918 nan 8.290 nan 0.000 0.498 199 E N -2.519 117.690 120.200 0.015 0.000 4.028 199 E HA -0.204 4.149 4.350 0.005 0.000 0.343 199 E C 0.832 177.444 176.600 0.020 0.000 0.700 199 E CA 2.039 58.448 56.400 0.016 0.000 1.288 199 E CB -0.964 28.745 29.700 0.015 0.000 1.677 199 E HN 0.772 nan 8.360 nan 0.000 0.424 200 K N 1.350 121.762 120.400 0.020 0.000 2.182 200 K HA 0.319 4.642 4.320 0.005 0.000 0.262 200 K C -0.984 175.633 176.600 0.028 0.000 0.957 200 K CA -0.571 55.731 56.287 0.025 0.000 0.842 200 K CB 1.065 33.576 32.500 0.018 0.000 1.099 200 K HN -0.031 nan 8.250 nan 0.000 0.438 201 D N 2.855 123.277 120.400 0.037 0.000 2.249 201 D HA 0.260 4.904 4.640 0.005 0.000 0.246 201 D C -0.291 176.038 176.300 0.048 0.000 1.114 201 D CA -0.093 53.933 54.000 0.042 0.000 0.854 201 D CB 1.086 41.913 40.800 0.045 0.000 1.132 201 D HN 0.286 nan 8.370 nan 0.000 0.461 202 I N 2.330 122.927 120.570 0.045 0.000 2.436 202 I HA 0.209 4.382 4.170 0.005 0.000 0.289 202 I C -0.392 175.760 176.117 0.059 0.000 1.010 202 I CA -0.573 60.762 61.300 0.057 0.000 1.098 202 I CB 2.377 40.390 38.000 0.022 0.000 1.266 202 I HN 0.108 nan 8.210 nan 0.000 0.434 203 L N 7.468 128.724 121.223 0.055 0.000 2.280 203 L HA 0.587 4.930 4.340 0.005 0.000 0.287 203 L C -0.683 176.268 176.870 0.135 0.000 1.023 203 L CA -0.505 54.355 54.840 0.032 0.000 0.819 203 L CB 1.023 42.990 42.059 -0.155 0.000 1.212 203 L HN 0.570 nan 8.230 nan 0.000 0.420 204 I N 5.553 126.210 120.570 0.144 0.000 2.488 204 I HA 0.422 4.595 4.170 0.005 0.000 0.299 204 I C -0.749 175.494 176.117 0.210 0.000 0.984 204 I CA -0.439 60.945 61.300 0.140 0.000 1.250 204 I CB 1.517 39.581 38.000 0.108 0.000 1.389 204 I HN 0.523 nan 8.210 nan 0.000 0.488 205 Y N 1.593 121.899 120.300 0.011 0.000 2.713 205 Y HA 0.664 5.216 4.550 0.005 0.000 0.335 205 Y C -1.270 174.633 175.900 0.004 0.000 1.222 205 Y CA -1.113 56.984 58.100 -0.005 0.000 1.061 205 Y CB 0.881 39.341 38.460 0.000 0.000 1.314 205 Y HN 0.347 nan 8.280 nan 0.000 0.453 206 S N 1.496 117.266 115.700 0.116 0.000 2.532 206 S HA 0.748 5.221 4.470 0.005 0.000 0.301 206 S C -1.030 173.717 174.600 0.246 0.000 1.083 206 S CA -0.759 57.453 58.200 0.020 0.000 1.025 206 S CB 1.191 64.174 63.200 -0.361 0.000 1.056 206 S HN 0.544 nan 8.310 nan 0.000 0.494 207 I N 2.206 122.958 120.570 0.303 0.000 2.418 207 I HA 0.215 4.388 4.170 0.005 0.000 0.287 207 I C 1.465 177.803 176.117 0.370 0.000 1.008 207 I CA -0.511 60.978 61.300 0.314 0.000 1.104 207 I CB 2.229 40.372 38.000 0.238 0.000 1.264 207 I HN 0.808 nan 8.210 nan 0.000 0.438 208 T N 0.252 114.978 114.554 0.287 0.000 2.737 208 T HA -0.161 4.192 4.350 0.005 0.000 0.265 208 T C 1.880 176.617 174.700 0.061 0.000 1.038 208 T CA 1.517 63.713 62.100 0.160 0.000 1.144 208 T CB -0.374 68.531 68.868 0.063 0.000 0.866 208 T HN 0.659 nan 8.240 nan 0.000 0.434 209 S N 0.769 116.510 115.700 0.069 0.000 2.419 209 S HA -0.087 4.386 4.470 0.005 0.000 0.233 209 S C 2.063 176.691 174.600 0.048 0.000 1.016 209 S CA 1.514 59.740 58.200 0.042 0.000 0.974 209 S CB -1.002 62.226 63.200 0.046 0.000 0.786 209 S HN 0.586 nan 8.310 nan 0.000 0.492 210 T N 1.144 115.742 114.554 0.074 0.000 3.054 210 T HA 0.215 4.568 4.350 0.005 0.000 0.255 210 T C 0.453 175.199 174.700 0.077 0.000 1.035 210 T CA -0.100 62.043 62.100 0.071 0.000 0.941 210 T CB -1.007 67.909 68.868 0.080 0.000 1.026 210 T HN 0.555 nan 8.240 nan 0.000 0.533 211 N N 2.012 120.756 118.700 0.074 0.000 2.688 211 N HA -0.162 4.581 4.740 0.005 0.000 0.258 211 N C -0.756 174.893 175.510 0.232 0.000 1.016 211 N CA 0.870 53.948 53.050 0.046 0.000 0.747 211 N CB -1.062 37.389 38.487 -0.060 0.000 0.895 211 N HN 0.649 nan 8.380 nan 0.000 0.543 212 S N -1.404 114.483 115.700 0.312 0.000 2.595 212 S HA 0.681 5.154 4.470 0.005 0.000 0.281 212 S C -0.422 174.289 174.600 0.185 0.000 1.117 212 S CA -0.743 57.590 58.200 0.222 0.000 0.873 212 S CB 2.792 66.056 63.200 0.106 0.000 1.108 212 S HN 0.021 nan 8.310 nan 0.000 0.477 213 V N 2.733 122.723 119.914 0.127 0.000 2.347 213 V HA 0.490 4.613 4.120 0.005 0.000 0.280 213 V C -0.750 175.288 176.094 -0.093 0.000 1.021 213 V CA -0.506 61.812 62.300 0.030 0.000 0.847 213 V CB 0.625 32.566 31.823 0.196 0.000 0.990 213 V HN 0.795 nan 8.190 nan 0.000 0.444 214 L N 5.640 126.653 121.223 -0.350 0.000 2.358 214 L HA 0.725 5.068 4.340 0.005 0.000 0.268 214 L C -0.339 176.295 176.870 -0.393 0.000 1.032 214 L CA -0.170 54.373 54.840 -0.494 0.000 0.805 214 L CB 1.408 42.971 42.059 -0.828 0.000 1.253 214 L HN 0.668 nan 8.230 nan 0.000 0.452 215 F N -1.727 118.075 119.950 -0.248 0.000 2.588 215 F HA 0.861 5.391 4.527 0.004 0.000 0.314 215 F C -0.486 175.301 175.800 -0.020 0.000 1.069 215 F CA -0.920 57.007 58.000 -0.122 0.000 0.931 215 F CB 1.807 40.764 39.000 -0.072 0.000 1.260 215 F HN 0.239 nan 8.300 nan 0.000 0.465 216 S N 3.681 119.480 115.700 0.166 0.000 2.605 216 S HA 0.579 5.052 4.470 0.005 0.000 0.308 216 S C -1.017 173.718 174.600 0.226 0.000 1.113 216 S CA -0.667 57.614 58.200 0.136 0.000 1.049 216 S CB 1.312 64.521 63.200 0.016 0.000 1.001 216 S HN 0.847 nan 8.310 nan 0.000 0.480 217 M N 3.870 123.639 119.600 0.281 0.000 2.364 217 M HA 0.735 5.218 4.480 0.005 0.000 0.334 217 M C 0.155 176.537 176.300 0.136 0.000 1.107 217 M CA 0.077 55.497 55.300 0.199 0.000 0.988 217 M CB 1.080 33.807 32.600 0.213 0.000 1.673 217 M HN 0.847 nan 8.290 nan 0.000 0.441 218 G N 3.102 111.960 108.800 0.096 0.000 2.623 218 G HA2 0.276 4.239 3.960 0.005 0.000 0.085 218 G HA3 0.276 4.239 3.960 0.005 0.000 0.085 218 G C -1.782 173.155 174.900 0.063 0.000 1.116 218 G CA -0.482 44.666 45.100 0.081 0.000 1.200 218 G HN 0.522 nan 8.290 nan 0.000 0.556 219 E N 0.259 120.496 120.200 0.062 0.000 2.290 219 E HA 0.421 4.774 4.350 0.005 0.000 0.274 219 E C -1.050 175.582 176.600 0.053 0.000 0.889 219 E CA -0.518 55.912 56.400 0.050 0.000 0.760 219 E CB 2.508 32.233 29.700 0.041 0.000 1.206 219 E HN 0.396 nan 8.360 nan 0.000 0.419 220 L N 3.443 124.695 121.223 0.048 0.000 2.369 220 L HA 0.198 4.541 4.340 0.005 0.000 0.279 220 L C 0.100 176.992 176.870 0.036 0.000 1.108 220 L CA 0.220 55.088 54.840 0.047 0.000 0.852 220 L CB 0.091 42.176 42.059 0.044 0.000 1.169 220 L HN 0.381 nan 8.230 nan 0.000 0.452 221 K N 2.748 123.168 120.400 0.034 0.000 2.535 221 K HA 0.439 4.762 4.320 0.005 0.000 0.250 221 K C -0.498 176.113 176.600 0.018 0.000 0.948 221 K CA -0.856 55.445 56.287 0.024 0.000 0.796 221 K CB 1.646 34.160 32.500 0.024 0.000 1.216 221 K HN 0.415 nan 8.250 nan 0.000 0.432 222 E N 1.416 121.622 120.200 0.010 0.000 2.416 222 E HA -0.239 4.114 4.350 0.005 0.000 0.249 222 E C 0.481 177.077 176.600 -0.006 0.000 1.124 222 E CA 0.675 57.075 56.400 0.001 0.000 0.732 222 E CB -1.674 28.027 29.700 0.002 0.000 1.286 222 E HN 1.200 nan 8.360 nan 0.000 0.394 223 G N 0.086 108.882 108.800 -0.006 0.000 2.153 223 G HA2 -0.369 3.594 3.960 0.005 0.000 0.252 223 G HA3 -0.369 3.594 3.960 0.005 0.000 0.252 223 G C 0.036 174.934 174.900 -0.003 0.000 0.994 223 G CA 1.036 46.124 45.100 -0.019 0.000 0.698 223 G HN 0.267 nan 8.290 nan 0.000 0.521 224 K N -0.886 119.526 120.400 0.020 0.000 2.501 224 K HA 0.542 4.866 4.320 0.005 0.000 0.252 224 K C -0.844 175.798 176.600 0.070 0.000 0.934 224 K CA -1.170 55.144 56.287 0.044 0.000 0.797 224 K CB 2.315 34.832 32.500 0.029 0.000 1.270 224 K HN 0.110 nan 8.250 nan 0.000 0.431 225 L N 3.166 124.459 121.223 0.117 0.000 2.385 225 L HA 0.166 4.509 4.340 0.005 0.000 0.281 225 L C -0.290 176.663 176.870 0.139 0.000 1.106 225 L CA 0.212 55.132 54.840 0.132 0.000 0.856 225 L CB 0.030 42.191 42.059 0.170 0.000 1.186 225 L HN 0.493 nan 8.230 nan 0.000 0.453 226 N N 4.211 122.970 118.700 0.098 0.000 2.430 226 N HA 0.149 4.892 4.740 0.005 0.000 0.265 226 N C -1.146 174.428 175.510 0.106 0.000 1.100 226 N CA -0.220 52.885 53.050 0.091 0.000 0.961 226 N CB 1.179 39.704 38.487 0.064 0.000 1.075 226 N HN 0.406 nan 8.380 nan 0.000 0.478 227 V N 4.127 124.115 119.914 0.124 0.000 2.364 227 V HA 0.135 4.258 4.120 0.005 0.000 0.272 227 V C 1.076 177.232 176.094 0.104 0.000 1.036 227 V CA -0.284 62.098 62.300 0.137 0.000 0.880 227 V CB 1.399 33.335 31.823 0.189 0.000 0.991 227 V HN 0.682 nan 8.190 nan 0.000 0.460 228 E N 2.964 123.224 120.200 0.101 0.000 2.140 228 E HA 0.135 4.489 4.350 0.005 0.000 0.191 228 E C 0.160 176.817 176.600 0.096 0.000 0.973 228 E CA 0.579 57.031 56.400 0.087 0.000 0.829 228 E CB 0.454 30.201 29.700 0.079 0.000 0.781 228 E HN 0.542 nan 8.360 nan 0.000 0.466 229 K N 0.347 120.823 120.400 0.127 0.000 2.525 229 K HA 0.438 4.761 4.320 0.005 0.000 0.254 229 K C -1.140 175.531 176.600 0.119 0.000 0.934 229 K CA -0.466 55.906 56.287 0.142 0.000 0.802 229 K CB 2.421 35.043 32.500 0.203 0.000 1.295 229 K HN -0.140 nan 8.250 nan 0.000 0.433 230 R N 0.512 120.985 120.500 -0.046 0.000 2.807 230 R HA 0.791 5.135 4.340 0.005 0.000 0.276 230 R C -0.434 175.494 176.300 -0.620 0.000 0.979 230 R CA -1.037 54.864 56.100 -0.332 0.000 0.928 230 R CB 2.188 32.414 30.300 -0.123 0.000 1.191 230 R HN 0.788 nan 8.270 nan 0.000 0.471 231 G N 0.938 109.006 108.800 -1.220 0.000 2.427 231 G HA2 0.327 4.291 3.960 0.005 0.000 0.306 231 G HA3 0.327 4.291 3.960 0.005 0.000 0.306 231 G C -1.832 172.683 174.900 -0.643 0.000 1.280 231 G CA -0.912 43.730 45.100 -0.763 0.000 0.837 231 G HN 0.283 nan 8.290 nan 0.000 0.482 232 L N 0.935 122.031 121.223 -0.213 0.000 2.322 232 L HA 0.452 4.795 4.340 0.005 0.000 0.279 232 L C 1.318 178.140 176.870 -0.080 0.000 1.036 232 L CA -0.790 53.943 54.840 -0.179 0.000 0.807 232 L CB 1.897 43.802 42.059 -0.256 0.000 1.226 232 L HN 0.422 nan 8.230 nan 0.000 0.433 233 L N 1.087 122.295 121.223 -0.024 0.000 2.313 233 L HA 0.104 4.447 4.340 0.005 0.000 0.214 233 L C 0.140 176.785 176.870 -0.375 0.000 1.119 233 L CA 1.057 55.853 54.840 -0.073 0.000 0.809 233 L CB 0.112 42.197 42.059 0.042 0.000 0.933 233 L HN 0.704 nan 8.230 nan 0.000 0.449 234 D N -2.279 117.839 120.400 -0.469 0.000 2.837 234 D HA 0.119 4.762 4.640 0.005 0.000 0.220 234 D C -0.414 175.531 176.300 -0.592 0.000 1.236 234 D CA -0.426 53.200 54.000 -0.623 0.000 0.838 234 D CB 1.238 41.568 40.800 -0.783 0.000 1.647 234 D HN 0.036 nan 8.370 nan 0.000 0.486 235 H N 0.855 119.566 119.070 -0.597 0.000 2.586 235 H HA 0.317 4.876 4.556 0.005 0.000 0.273 235 H C 1.181 176.210 175.328 -0.499 0.000 0.997 235 H CA -0.209 55.422 56.048 -0.695 0.000 1.177 235 H CB 1.239 30.172 29.762 -1.380 0.000 1.471 235 H HN 0.320 nan 8.280 nan 0.000 0.538 236 G N -0.161 108.416 108.800 -0.372 0.000 2.510 236 G HA2 0.097 4.061 3.960 0.005 0.000 0.280 236 G HA3 0.097 4.061 3.960 0.005 0.000 0.280 236 G C 1.180 175.883 174.900 -0.329 0.000 1.386 236 G CA 0.115 44.866 45.100 -0.582 0.000 1.047 236 G HN 0.309 nan 8.290 nan 0.000 0.527 237 T N -3.019 111.312 114.554 -0.371 0.000 3.057 237 T HA 0.169 4.522 4.350 0.005 0.000 0.254 237 T C 0.240 174.923 174.700 -0.028 0.000 1.094 237 T CA 0.700 62.776 62.100 -0.040 0.000 1.088 237 T CB 0.317 69.272 68.868 0.145 0.000 0.934 237 T HN 0.311 nan 8.240 nan 0.000 0.497 238 D N 0.486 120.836 120.400 -0.083 0.000 2.513 238 D HA 0.342 4.985 4.640 0.005 0.000 0.295 238 D C -1.751 174.554 176.300 0.009 0.000 1.202 238 D CA -0.355 53.606 54.000 -0.065 0.000 0.849 238 D CB 0.601 41.340 40.800 -0.102 0.000 1.116 238 D HN 0.283 nan 8.370 nan 0.000 0.502 239 F N 2.565 122.475 119.950 -0.067 0.000 2.730 239 F HA 0.371 4.901 4.527 0.005 0.000 0.335 239 F C -2.076 173.820 175.800 0.160 0.000 1.212 239 F CA -0.726 57.273 58.000 -0.003 0.000 1.016 239 F CB 1.284 40.245 39.000 -0.065 0.000 1.290 239 F HN -0.009 nan 8.300 nan 0.000 0.495 240 Y N 4.190 124.271 120.300 -0.364 0.000 2.581 240 Y HA 0.545 5.099 4.550 0.005 0.000 0.337 240 Y C 0.012 175.843 175.900 -0.115 0.000 1.108 240 Y CA -0.662 57.384 58.100 -0.091 0.000 1.033 240 Y CB 2.204 40.763 38.460 0.164 0.000 1.318 240 Y HN 0.992 nan 8.280 nan 0.000 0.459 241 A N 1.804 124.165 122.820 -0.766 0.000 2.869 241 A HA 0.031 4.355 4.320 0.005 0.000 0.280 241 A C 0.255 177.656 177.584 -0.304 0.000 1.458 241 A CA 0.807 52.533 52.037 -0.518 0.000 0.776 241 A CB -2.154 16.690 19.000 -0.260 0.000 1.028 241 A HN 1.838 nan 8.150 nan 0.000 0.547 242 A N -0.686 121.945 122.820 -0.316 0.000 2.511 242 A HA 0.496 4.820 4.320 0.005 0.000 0.242 242 A C 0.395 177.932 177.584 -0.078 0.000 1.069 242 A CA 1.273 53.196 52.037 -0.190 0.000 0.763 242 A CB 0.229 19.221 19.000 -0.013 0.000 1.001 242 A HN 1.277 nan 8.150 nan 0.000 0.498 243 Q N 0.528 120.303 119.800 -0.042 0.000 2.421 243 Q HA 0.570 4.913 4.340 0.005 0.000 0.280 243 Q C -0.984 175.036 176.000 0.033 0.000 1.085 243 Q CA -0.530 55.262 55.803 -0.019 0.000 0.807 243 Q CB 2.180 30.870 28.738 -0.081 0.000 1.405 243 Q HN 0.703 nan 8.270 nan 0.000 0.419 244 T N 1.666 116.263 114.554 0.072 0.000 2.888 244 T HA 0.518 4.871 4.350 0.005 0.000 0.284 244 T C -1.015 173.787 174.700 0.169 0.000 1.017 244 T CA -0.315 61.886 62.100 0.168 0.000 1.022 244 T CB 0.340 69.308 68.868 0.166 0.000 1.013 244 T HN 0.349 nan 8.240 nan 0.000 0.465 245 F N 2.531 122.616 119.950 0.225 0.000 2.495 245 F HA 0.350 4.880 4.527 0.005 0.000 0.365 245 F C 0.369 176.361 175.800 0.319 0.000 1.090 245 F CA -0.598 57.587 58.000 0.308 0.000 1.235 245 F CB 0.284 39.492 39.000 0.347 0.000 1.119 245 F HN 0.467 nan 8.300 nan 0.000 0.562 246 F N 2.309 122.481 119.950 0.370 0.000 2.484 246 F HA 0.446 4.977 4.527 0.006 0.000 0.360 246 F C 1.008 177.057 175.800 0.415 0.000 1.101 246 F CA 0.693 58.898 58.000 0.343 0.000 1.251 246 F CB 0.775 39.953 39.000 0.295 0.000 1.132 246 F HN 0.679 nan 8.300 nan 0.000 0.570 247 G N 2.557 111.244 108.800 -0.189 0.000 2.157 247 G HA2 -0.217 3.746 3.960 0.005 0.000 0.239 247 G HA3 -0.217 3.746 3.960 0.005 0.000 0.239 247 G C 0.016 175.010 174.900 0.157 0.000 0.982 247 G CA 0.108 45.231 45.100 0.039 0.000 0.650 247 G HN 1.045 nan 8.290 nan 0.000 0.527 248 T N -2.302 112.317 114.554 0.109 0.000 2.943 248 T HA 0.645 4.999 4.350 0.005 0.000 0.284 248 T C 0.725 175.415 174.700 -0.016 0.000 1.015 248 T CA 0.086 62.199 62.100 0.022 0.000 1.042 248 T CB 2.106 71.009 68.868 0.059 0.000 1.055 248 T HN -0.140 nan 8.240 nan 0.000 0.500 249 D N 0.490 120.856 120.400 -0.057 0.000 2.123 249 D HA 0.019 4.662 4.640 0.005 0.000 0.200 249 D C 0.930 177.214 176.300 -0.027 0.000 0.976 249 D CA 1.053 55.026 54.000 -0.044 0.000 0.831 249 D CB 0.066 40.829 40.800 -0.061 0.000 0.974 249 D HN 0.499 nan 8.370 nan 0.000 0.469 250 R N 0.338 120.818 120.500 -0.033 0.000 2.560 250 R HA 0.398 4.741 4.340 0.005 0.000 0.270 250 R C -0.260 176.060 176.300 0.033 0.000 1.074 250 R CA -0.555 55.537 56.100 -0.012 0.000 1.140 250 R CB 1.232 31.508 30.300 -0.039 0.000 1.073 250 R HN -0.188 nan 8.270 nan 0.000 0.527 251 V N 2.802 122.749 119.914 0.056 0.000 2.432 251 V HA 0.170 4.293 4.120 0.005 0.000 0.271 251 V C -0.145 176.017 176.094 0.113 0.000 1.046 251 V CA -0.248 62.109 62.300 0.096 0.000 0.945 251 V CB 1.269 33.141 31.823 0.083 0.000 0.992 251 V HN 0.398 nan 8.190 nan 0.000 0.471 252 V N 6.159 126.182 119.914 0.181 0.000 2.487 252 V HA 0.528 4.651 4.120 0.005 0.000 0.298 252 V C -0.257 176.050 176.094 0.355 0.000 1.028 252 V CA -0.521 61.901 62.300 0.203 0.000 0.860 252 V CB 2.089 33.969 31.823 0.095 0.000 0.991 252 V HN 0.598 nan 8.190 nan 0.000 0.427 253 V N 6.153 126.238 119.914 0.285 0.000 2.628 253 V HA 0.608 4.731 4.120 0.005 0.000 0.306 253 V C -0.383 175.904 176.094 0.322 0.000 1.045 253 V CA -0.538 61.938 62.300 0.293 0.000 0.905 253 V CB 2.099 34.074 31.823 0.254 0.000 0.997 253 V HN 0.693 nan 8.190 nan 0.000 0.436 254 I N 2.527 123.257 120.570 0.266 0.000 2.545 254 I HA 0.761 4.934 4.170 0.005 0.000 0.292 254 I C 0.442 176.583 176.117 0.039 0.000 1.040 254 I CA -0.334 61.092 61.300 0.209 0.000 1.068 254 I CB 2.301 40.408 38.000 0.180 0.000 1.251 254 I HN 0.766 nan 8.210 nan 0.000 0.424 255 G N 3.175 111.927 108.800 -0.079 0.000 2.600 255 G HA2 0.405 4.368 3.960 0.005 0.000 0.303 255 G HA3 0.405 4.368 3.960 0.005 0.000 0.303 255 G C -2.119 172.660 174.900 -0.203 0.000 1.253 255 G CA -0.520 44.286 45.100 -0.490 0.000 0.974 255 G HN 0.517 nan 8.290 nan 0.000 0.483 256 W N 1.618 122.696 121.300 -0.369 0.000 2.368 256 W HA 0.362 5.025 4.660 0.005 0.000 0.316 256 W C 0.206 176.610 176.519 -0.193 0.000 1.375 256 W CA -0.911 56.303 57.345 -0.218 0.000 1.261 256 W CB 0.692 30.071 29.460 -0.136 0.000 1.298 256 W HN 0.178 nan 8.180 nan 0.000 0.539 257 L N 7.140 128.170 121.223 -0.322 0.000 2.480 257 L HA 0.195 4.538 4.340 0.005 0.000 0.243 257 L C -0.121 176.380 176.870 -0.615 0.000 1.315 257 L CA 0.321 54.956 54.840 -0.341 0.000 1.231 257 L CB -0.661 41.243 42.059 -0.257 0.000 1.444 257 L HN 0.604 nan 8.230 nan 0.000 0.409 258 Q N 0.328 119.623 119.800 -0.842 0.000 2.702 258 Q HA 0.292 4.635 4.340 0.005 0.000 0.289 258 Q C -1.688 173.828 176.000 -0.808 0.000 0.923 258 Q CA -0.499 54.697 55.803 -1.012 0.000 0.787 258 Q CB 2.197 29.737 28.738 -1.998 0.000 1.476 258 Q HN 0.189 nan 8.270 nan 0.000 0.402 259 S N 0.264 115.634 115.700 -0.549 0.000 2.532 259 S HA 0.394 4.867 4.470 0.005 0.000 0.299 259 S C -0.481 173.932 174.600 -0.312 0.000 1.105 259 S CA -0.459 57.538 58.200 -0.338 0.000 1.018 259 S CB 0.526 63.642 63.200 -0.141 0.000 1.021 259 S HN 0.729 nan 8.310 nan 0.000 0.483 260 W N 3.651 124.907 121.300 -0.073 0.000 2.350 260 W HA -0.038 4.625 4.660 0.005 0.000 0.289 260 W C 1.834 178.292 176.519 -0.101 0.000 1.215 260 W CA 0.657 57.993 57.345 -0.015 0.000 1.236 260 W CB -0.264 29.148 29.460 -0.080 0.000 1.130 260 W HN 0.632 nan 8.180 nan 0.000 0.541 261 L N -0.281 120.983 121.223 0.068 0.000 2.141 261 L HA -0.094 4.249 4.340 0.005 0.000 0.209 261 L C 2.142 178.962 176.870 -0.084 0.000 1.094 261 L CA 1.286 56.127 54.840 0.002 0.000 0.763 261 L CB -0.708 41.348 42.059 -0.004 0.000 0.908 261 L HN -0.025 nan 8.230 nan 0.000 0.437 262 R N -1.376 119.002 120.500 -0.205 0.000 2.397 262 R HA 0.118 4.461 4.340 0.005 0.000 0.241 262 R C 1.960 177.771 176.300 -0.815 0.000 0.914 262 R CA 0.143 55.992 56.100 -0.418 0.000 1.071 262 R CB 0.120 30.178 30.300 -0.403 0.000 1.116 262 R HN 0.143 nan 8.270 nan 0.000 0.524 263 T N 0.763 114.987 114.554 -0.551 0.000 2.685 263 T HA -0.168 4.185 4.350 0.005 0.000 0.268 263 T C 1.815 176.328 174.700 -0.312 0.000 1.034 263 T CA 1.933 63.769 62.100 -0.440 0.000 1.149 263 T CB -0.290 68.573 68.868 -0.008 0.000 0.860 263 T HN 0.521 nan 8.240 nan 0.000 0.449 264 G N 0.435 109.116 108.800 -0.198 0.000 2.625 264 G HA2 -0.018 3.945 3.960 0.005 0.000 0.214 264 G HA3 -0.018 3.945 3.960 0.005 0.000 0.214 264 G C 1.215 176.027 174.900 -0.146 0.000 1.132 264 G CA 0.244 45.273 45.100 -0.119 0.000 0.782 264 G HN 0.485 nan 8.290 nan 0.000 0.538 265 L N -0.890 120.177 121.223 -0.259 0.000 2.585 265 L HA 0.285 4.628 4.340 0.005 0.000 0.226 265 L C 0.206 177.078 176.870 0.002 0.000 1.113 265 L CA -0.213 54.554 54.840 -0.122 0.000 0.876 265 L CB 0.143 42.154 42.059 -0.080 0.000 1.072 265 L HN 0.196 nan 8.230 nan 0.000 0.468 266 Y N 2.337 122.483 120.300 -0.257 0.000 2.454 266 Y HA 0.238 4.791 4.550 0.005 0.000 0.345 266 Y C -1.621 173.938 175.900 -0.568 0.000 0.970 266 Y CA -2.429 55.355 58.100 -0.528 0.000 1.204 266 Y CB 0.953 39.191 38.460 -0.370 0.000 1.122 266 Y HN -0.052 nan 8.280 nan 0.000 0.514 267 P HA 0.010 nan 4.420 nan 0.000 0.220 267 P C 0.785 177.925 177.300 -0.266 0.000 1.778 267 P CA 0.111 63.026 63.100 -0.308 0.000 0.912 267 P CB -0.358 31.232 31.700 -0.183 0.000 1.861 268 T N -3.778 110.532 114.554 -0.407 0.000 3.037 268 T HA 0.110 4.463 4.350 0.005 0.000 0.251 268 T C 1.525 175.919 174.700 -0.509 0.000 1.079 268 T CA 0.218 61.966 62.100 -0.587 0.000 1.067 268 T CB -0.212 67.853 68.868 -1.339 0.000 0.948 268 T HN 0.043 nan 8.240 nan 0.000 0.496 269 K N 1.784 122.017 120.400 -0.278 0.000 2.152 269 K HA -0.115 4.208 4.320 0.005 0.000 0.206 269 K C 2.621 179.174 176.600 -0.077 0.000 1.048 269 K CA 1.520 57.724 56.287 -0.138 0.000 0.933 269 K CB -0.236 32.240 32.500 -0.039 0.000 0.721 269 K HN 0.562 nan 8.250 nan 0.000 0.447 270 R N 1.138 121.602 120.500 -0.061 0.000 2.193 270 R HA -0.132 4.211 4.340 0.005 0.000 0.229 270 R C 1.039 177.347 176.300 0.014 0.000 1.110 270 R CA 1.463 57.557 56.100 -0.010 0.000 0.988 270 R CB -0.286 30.017 30.300 0.005 0.000 0.871 270 R HN 0.297 nan 8.270 nan 0.000 0.458 271 E N 0.147 120.342 120.200 -0.009 0.000 2.478 271 E HA 0.091 4.444 4.350 0.005 0.000 0.194 271 E C 0.618 177.340 176.600 0.204 0.000 1.045 271 E CA 0.320 56.788 56.400 0.113 0.000 0.868 271 E CB 0.589 30.431 29.700 0.238 0.000 0.885 271 E HN 0.672 nan 8.360 nan 0.000 0.505 272 G N 1.481 110.338 108.800 0.095 0.000 2.141 272 G HA2 -0.198 3.765 3.960 0.005 0.000 0.231 272 G HA3 -0.198 3.765 3.960 0.005 0.000 0.231 272 G C -0.287 174.775 174.900 0.271 0.000 0.984 272 G CA 0.274 45.474 45.100 0.167 0.000 0.660 272 G HN 0.259 nan 8.290 nan 0.000 0.525 273 W N -0.531 120.842 121.300 0.121 0.000 3.075 273 W HA 0.774 5.437 4.660 0.005 0.000 0.334 273 W C -1.075 175.520 176.519 0.127 0.000 1.243 273 W CA -1.520 55.909 57.345 0.141 0.000 1.170 273 W CB 0.776 30.327 29.460 0.151 0.000 1.452 273 W HN 0.120 nan 8.180 nan 0.000 0.572 274 N N 0.116 118.952 118.700 0.226 0.000 2.406 274 N HA 0.523 5.266 4.740 0.005 0.000 0.283 274 N C -0.768 174.762 175.510 0.034 0.000 1.074 274 N CA 0.170 53.203 53.050 -0.028 0.000 0.916 274 N CB 1.964 40.525 38.487 0.123 0.000 1.639 274 N HN 1.082 nan 8.380 nan 0.000 0.485 275 G N 0.628 109.461 108.800 0.054 0.000 2.906 275 G HA2 0.063 4.026 3.960 0.005 0.000 0.686 275 G HA3 0.063 4.026 3.960 0.005 0.000 0.686 275 G C -1.711 173.326 174.900 0.229 0.000 1.170 275 G CA -0.720 44.442 45.100 0.104 0.000 0.775 275 G HN 0.518 nan 8.290 nan 0.000 0.630 276 V N 3.705 123.671 119.914 0.087 0.000 2.925 276 V HA 0.781 4.905 4.120 0.005 0.000 0.311 276 V C 0.095 176.210 176.094 0.035 0.000 1.104 276 V CA -1.210 61.120 62.300 0.049 0.000 0.954 276 V CB 2.115 33.922 31.823 -0.027 0.000 1.022 276 V HN 0.856 nan 8.190 nan 0.000 0.427 277 M N 2.587 122.228 119.600 0.069 0.000 2.318 277 M HA 0.418 4.901 4.480 0.005 0.000 0.347 277 M C 0.559 176.837 176.300 -0.037 0.000 1.175 277 M CA -0.146 55.186 55.300 0.053 0.000 1.075 277 M CB 1.544 34.178 32.600 0.056 0.000 1.614 277 M HN 0.925 nan 8.290 nan 0.000 0.456 278 S N 2.327 118.018 115.700 -0.014 0.000 2.569 278 S HA 0.287 4.760 4.470 0.005 0.000 0.274 278 S C 0.139 174.772 174.600 0.055 0.000 1.353 278 S CA -0.689 57.517 58.200 0.010 0.000 1.023 278 S CB 0.356 63.720 63.200 0.273 0.000 0.876 278 S HN 0.491 nan 8.310 nan 0.000 0.540 279 L N 2.364 123.608 121.223 0.034 0.000 2.506 279 L HA 0.315 4.658 4.340 0.005 0.000 0.281 279 L C -1.998 174.957 176.870 0.142 0.000 1.228 279 L CA -1.526 53.377 54.840 0.105 0.000 0.850 279 L CB -0.863 41.197 42.059 0.002 0.000 1.110 279 L HN 0.584 nan 8.230 nan 0.000 0.496 280 P HA 0.285 nan 4.420 nan 0.000 0.271 280 P C -1.101 176.224 177.300 0.041 0.000 1.216 280 P CA -0.312 62.863 63.100 0.125 0.000 0.771 280 P CB 0.718 32.458 31.700 0.066 0.000 0.864 281 R N 1.073 121.633 120.500 0.100 0.000 2.711 281 R HA 0.462 4.805 4.340 0.005 0.000 0.284 281 R C -0.117 176.218 176.300 0.059 0.000 0.968 281 R CA -0.792 55.340 56.100 0.054 0.000 0.924 281 R CB 1.329 31.701 30.300 0.120 0.000 1.162 281 R HN 0.416 nan 8.270 nan 0.000 0.465 282 E N 2.266 122.483 120.200 0.029 0.000 2.174 282 E HA 0.236 4.589 4.350 0.005 0.000 0.282 282 E C -0.964 175.719 176.600 0.138 0.000 0.992 282 E CA -0.739 55.695 56.400 0.056 0.000 0.803 282 E CB 0.741 30.438 29.700 -0.006 0.000 1.090 282 E HN 0.168 nan 8.360 nan 0.000 0.396 283 L N 5.587 126.884 121.223 0.124 0.000 2.289 283 L HA 0.379 4.722 4.340 0.005 0.000 0.285 283 L C -0.680 176.299 176.870 0.182 0.000 1.049 283 L CA -0.409 54.491 54.840 0.100 0.000 0.804 283 L CB 0.416 42.489 42.059 0.023 0.000 1.195 283 L HN 0.484 nan 8.230 nan 0.000 0.428 284 Y N 1.285 121.550 120.300 -0.059 0.000 2.689 284 Y HA 0.844 5.396 4.550 0.004 0.000 0.333 284 Y C -1.319 174.544 175.900 -0.062 0.000 1.190 284 Y CA -1.698 56.372 58.100 -0.051 0.000 1.063 284 Y CB 1.099 39.536 38.460 -0.038 0.000 1.294 284 Y HN 0.090 nan 8.280 nan 0.000 0.466 285 V N 1.834 121.732 119.914 -0.026 0.000 2.487 285 V HA 0.523 4.646 4.120 0.005 0.000 0.298 285 V C -0.831 175.257 176.094 -0.009 0.000 1.028 285 V CA -0.636 61.597 62.300 -0.111 0.000 0.860 285 V CB 1.343 33.135 31.823 -0.053 0.000 0.991 285 V HN 0.827 nan 8.190 nan 0.000 0.427 286 E N 3.821 123.976 120.200 -0.075 0.000 2.308 286 E HA 0.356 4.709 4.350 0.005 0.000 0.275 286 E C -0.610 175.985 176.600 -0.009 0.000 0.890 286 E CA -0.684 55.727 56.400 0.018 0.000 0.754 286 E CB 1.328 31.083 29.700 0.091 0.000 1.207 286 E HN 0.695 nan 8.360 nan 0.000 0.426 287 N N 3.854 122.563 118.700 0.015 0.000 2.714 287 N HA -0.234 4.510 4.740 0.005 0.000 0.252 287 N C -0.542 174.973 175.510 0.008 0.000 1.014 287 N CA 1.215 54.274 53.050 0.014 0.000 0.735 287 N CB -1.246 37.252 38.487 0.019 0.000 0.924 287 N HN 0.771 nan 8.380 nan 0.000 0.540 288 N N -1.729 116.973 118.700 0.004 0.000 2.741 288 N HA -0.231 4.512 4.740 0.005 0.000 0.251 288 N C -0.432 175.077 175.510 -0.002 0.000 1.112 288 N CA 1.519 54.573 53.050 0.006 0.000 0.750 288 N CB -0.420 38.080 38.487 0.022 0.000 1.119 288 N HN 0.726 nan 8.380 nan 0.000 0.561 289 E N 0.208 120.385 120.200 -0.038 0.000 2.248 289 E HA 0.436 4.789 4.350 0.005 0.000 0.267 289 E C -0.565 175.929 176.600 -0.177 0.000 0.877 289 E CA -0.634 55.729 56.400 -0.061 0.000 0.759 289 E CB 1.282 30.959 29.700 -0.037 0.000 1.182 289 E HN 0.146 nan 8.360 nan 0.000 0.418 290 L N 4.220 125.298 121.223 -0.242 0.000 2.361 290 L HA 0.321 4.664 4.340 0.005 0.000 0.278 290 L C -0.588 176.032 176.870 -0.418 0.000 1.113 290 L CA 0.344 54.927 54.840 -0.429 0.000 0.849 290 L CB 0.230 41.803 42.059 -0.810 0.000 1.155 290 L HN 0.553 nan 8.230 nan 0.000 0.452 291 K N 3.411 123.487 120.400 -0.540 0.000 2.328 291 K HA 0.642 4.965 4.320 0.005 0.000 0.246 291 K C -1.365 175.050 176.600 -0.308 0.000 0.955 291 K CA -0.811 55.170 56.287 -0.510 0.000 0.817 291 K CB 2.825 34.776 32.500 -0.915 0.000 1.208 291 K HN 0.285 nan 8.250 nan 0.000 0.432 292 V N 2.833 122.717 119.914 -0.051 0.000 2.531 292 V HA 0.379 4.502 4.120 0.005 0.000 0.301 292 V C -0.688 175.545 176.094 0.232 0.000 1.034 292 V CA -0.769 61.585 62.300 0.091 0.000 0.865 292 V CB 1.431 33.282 31.823 0.045 0.000 0.995 292 V HN 0.796 nan 8.190 nan 0.000 0.424 293 K N 4.444 124.969 120.400 0.208 0.000 2.482 293 K HA 0.782 5.105 4.320 0.005 0.000 0.257 293 K C -3.253 173.245 176.600 -0.171 0.000 0.969 293 K CA -2.248 54.088 56.287 0.081 0.000 0.842 293 K CB 2.601 35.157 32.500 0.095 0.000 1.359 293 K HN 0.284 nan 8.250 nan 0.000 0.441 294 P HA 0.012 nan 4.420 nan 0.000 0.271 294 P C -0.195 176.941 177.300 -0.274 0.000 1.216 294 P CA -0.549 62.216 63.100 -0.558 0.000 0.776 294 P CB 0.684 31.935 31.700 -0.748 0.000 0.881 295 V N 3.462 123.240 119.914 -0.227 0.000 2.763 295 V HA -0.087 4.037 4.120 0.005 0.000 0.306 295 V C 1.393 177.375 176.094 -0.186 0.000 1.059 295 V CA 0.798 62.985 62.300 -0.188 0.000 1.138 295 V CB 0.039 31.748 31.823 -0.190 0.000 0.940 295 V HN 0.597 nan 8.190 nan 0.000 0.489 296 D N 3.186 123.485 120.400 -0.168 0.000 2.218 296 D HA -0.146 4.497 4.640 0.005 0.000 0.204 296 D C 1.845 178.055 176.300 -0.149 0.000 0.976 296 D CA 1.171 55.083 54.000 -0.147 0.000 0.853 296 D CB 0.165 40.884 40.800 -0.136 0.000 0.939 296 D HN 0.721 nan 8.370 nan 0.000 0.481 297 E N 0.144 120.239 120.200 -0.176 0.000 2.265 297 E HA -0.113 4.241 4.350 0.005 0.000 0.196 297 E C 1.791 178.288 176.600 -0.172 0.000 0.996 297 E CA 0.123 56.417 56.400 -0.178 0.000 0.832 297 E CB -0.045 29.515 29.700 -0.234 0.000 0.756 297 E HN 0.120 nan 8.360 nan 0.000 0.491 298 L N 0.062 121.182 121.223 -0.171 0.000 2.265 298 L HA -0.131 4.212 4.340 0.005 0.000 0.215 298 L C 1.791 178.599 176.870 -0.104 0.000 1.117 298 L CA 1.350 56.100 54.840 -0.150 0.000 0.782 298 L CB -0.894 41.074 42.059 -0.153 0.000 0.914 298 L HN 0.266 nan 8.230 nan 0.000 0.441 299 L N -0.678 120.478 121.223 -0.112 0.000 2.187 299 L HA -0.209 4.134 4.340 0.005 0.000 0.213 299 L C 2.571 179.352 176.870 -0.149 0.000 1.100 299 L CA 1.051 55.803 54.840 -0.147 0.000 0.765 299 L CB -0.800 41.166 42.059 -0.155 0.000 0.904 299 L HN 0.256 nan 8.230 nan 0.000 0.437 300 A N 0.034 122.785 122.820 -0.116 0.000 2.070 300 A HA -0.116 4.207 4.320 0.005 0.000 0.220 300 A C 2.214 179.759 177.584 -0.065 0.000 1.159 300 A CA 1.143 53.138 52.037 -0.071 0.000 0.656 300 A CB -0.588 18.404 19.000 -0.013 0.000 0.800 300 A HN 0.429 nan 8.150 nan 0.000 0.453 301 L N -0.435 120.712 121.223 -0.126 0.000 2.376 301 L HA -0.058 4.285 4.340 0.005 0.000 0.219 301 L C 0.760 177.563 176.870 -0.112 0.000 1.133 301 L CA 0.199 54.950 54.840 -0.149 0.000 0.816 301 L CB -0.327 41.575 42.059 -0.262 0.000 0.933 301 L HN 0.314 nan 8.230 nan 0.000 0.449 302 R N 1.856 122.278 120.500 -0.130 0.000 2.401 302 R HA 0.027 4.370 4.340 0.005 0.000 0.299 302 R C 0.855 177.143 176.300 -0.020 0.000 1.064 302 R CA 0.026 56.063 56.100 -0.106 0.000 1.000 302 R CB 0.554 30.632 30.300 -0.370 0.000 0.973 302 R HN 0.259 nan 8.270 nan 0.000 0.438 303 K N 1.142 121.578 120.400 0.059 0.000 2.435 303 K HA 0.156 4.479 4.320 0.005 0.000 0.199 303 K C 0.238 176.893 176.600 0.090 0.000 1.153 303 K CA -0.181 56.142 56.287 0.059 0.000 0.974 303 K CB 0.726 33.255 32.500 0.048 0.000 0.997 303 K HN 0.248 nan 8.250 nan 0.000 0.547 304 R N 1.619 122.209 120.500 0.150 0.000 2.633 304 R HA 0.175 4.519 4.340 0.005 0.000 0.256 304 R C -2.097 174.288 176.300 0.141 0.000 1.131 304 R CA -0.466 55.709 56.100 0.125 0.000 0.994 304 R CB 1.277 31.617 30.300 0.067 0.000 1.261 304 R HN 0.102 nan 8.270 nan 0.000 0.446 305 K N 3.596 124.031 120.400 0.059 0.000 2.310 305 K HA 0.180 4.503 4.320 0.005 0.000 0.290 305 K C 0.716 177.219 176.600 -0.162 0.000 1.077 305 K CA 0.083 56.236 56.287 -0.223 0.000 0.922 305 K CB 0.678 32.997 32.500 -0.301 0.000 1.057 305 K HN 0.499 nan 8.250 nan 0.000 0.479 306 V N 2.893 122.710 119.914 -0.162 0.000 3.590 306 V HA 0.339 4.462 4.120 0.005 0.000 0.265 306 V C -0.120 175.969 176.094 -0.008 0.000 1.239 306 V CA 0.159 62.416 62.300 -0.071 0.000 1.117 306 V CB -0.548 31.242 31.823 -0.054 0.000 0.818 306 V HN 0.645 nan 8.190 nan 0.000 0.451 307 F N 1.047 120.827 119.950 -0.283 0.000 2.688 307 F HA 0.670 5.200 4.527 0.005 0.000 0.308 307 F C -1.217 174.388 175.800 -0.324 0.000 1.117 307 F CA -0.544 57.285 58.000 -0.284 0.000 0.976 307 F CB 1.613 40.444 39.000 -0.282 0.000 1.291 307 F HN 0.379 nan 8.300 nan 0.000 0.439 308 E N 2.848 122.238 120.200 -1.349 0.000 2.392 308 E HA 0.600 4.953 4.350 0.005 0.000 0.279 308 E C -2.104 173.716 176.600 -1.300 0.000 0.964 308 E CA -0.788 54.967 56.400 -1.076 0.000 0.777 308 E CB 2.555 31.917 29.700 -0.564 0.000 1.249 308 E HN 0.698 nan 8.360 nan 0.000 0.449 309 T N 0.407 114.472 114.554 -0.814 0.000 2.932 309 T HA 0.620 4.973 4.350 0.005 0.000 0.318 309 T C -1.082 173.469 174.700 -0.248 0.000 1.265 309 T CA 0.190 61.953 62.100 -0.561 0.000 1.036 309 T CB 1.559 70.022 68.868 -0.675 0.000 1.209 309 T HN 0.673 nan 8.240 nan 0.000 0.484 310 A N 3.351 126.084 122.820 -0.145 0.000 2.535 310 A HA 0.558 4.881 4.320 0.005 0.000 0.273 310 A C 0.375 177.962 177.584 0.005 0.000 1.267 310 A CA -0.096 51.908 52.037 -0.055 0.000 0.940 310 A CB 0.029 18.998 19.000 -0.052 0.000 1.101 310 A HN 0.594 nan 8.150 nan 0.000 0.521 311 K N -0.171 120.252 120.400 0.039 0.000 2.469 311 K HA 0.503 4.826 4.320 0.005 0.000 0.254 311 K C -0.597 176.126 176.600 0.206 0.000 0.939 311 K CA -0.529 55.824 56.287 0.110 0.000 0.812 311 K CB 2.059 34.636 32.500 0.127 0.000 1.301 311 K HN 0.152 nan 8.250 nan 0.000 0.433 312 S N 0.482 116.279 115.700 0.162 0.000 2.573 312 S HA 0.531 5.004 4.470 0.005 0.000 0.277 312 S C 0.253 174.957 174.600 0.173 0.000 1.346 312 S CA 0.443 58.739 58.200 0.159 0.000 1.034 312 S CB 0.909 64.151 63.200 0.070 0.000 0.879 312 S HN 0.836 nan 8.310 nan 0.000 0.528 313 G N 0.847 109.680 108.800 0.054 0.000 2.356 313 G HA2 0.375 4.338 3.960 0.005 0.000 0.288 313 G HA3 0.375 4.338 3.960 0.005 0.000 0.288 313 G C -1.486 173.019 174.900 -0.659 0.000 1.302 313 G CA -0.803 44.096 45.100 -0.335 0.000 0.887 313 G HN 0.682 nan 8.290 nan 0.000 0.521 314 T N 0.421 114.356 114.554 -1.032 0.000 2.861 314 T HA 0.744 5.097 4.350 0.005 0.000 0.287 314 T C -1.325 172.749 174.700 -1.043 0.000 1.003 314 T CA -0.122 61.502 62.100 -0.793 0.000 0.977 314 T CB 1.097 69.737 68.868 -0.381 0.000 0.996 314 T HN 0.498 nan 8.240 nan 0.000 0.448 315 F N 1.559 121.410 119.950 -0.165 0.000 2.588 315 F HA 0.616 5.146 4.527 0.005 0.000 0.310 315 F C -0.575 175.042 175.800 -0.306 0.000 1.082 315 F CA -1.380 56.462 58.000 -0.263 0.000 0.929 315 F CB 1.349 40.030 39.000 -0.533 0.000 1.254 315 F HN 0.331 nan 8.300 nan 0.000 0.455 316 L N 3.828 125.014 121.223 -0.062 0.000 2.265 316 L HA 0.550 4.893 4.340 0.005 0.000 0.288 316 L C -1.101 175.662 176.870 -0.179 0.000 1.058 316 L CA -0.124 54.657 54.840 -0.099 0.000 0.809 316 L CB 0.353 42.384 42.059 -0.047 0.000 1.179 316 L HN 0.524 nan 8.230 nan 0.000 0.429 317 L N 4.263 125.362 121.223 -0.208 0.000 2.312 317 L HA 0.297 4.640 4.340 0.005 0.000 0.281 317 L C 0.010 176.805 176.870 -0.125 0.000 1.070 317 L CA -0.519 54.170 54.840 -0.251 0.000 0.805 317 L CB 1.039 42.899 42.059 -0.332 0.000 1.174 317 L HN 0.598 nan 8.230 nan 0.000 0.434 318 D N 3.232 123.576 120.400 -0.092 0.000 2.713 318 D HA 0.275 4.918 4.640 0.005 0.000 0.229 318 D C -0.718 175.564 176.300 -0.029 0.000 1.136 318 D CA -0.125 53.852 54.000 -0.038 0.000 1.010 318 D CB 0.083 40.874 40.800 -0.014 0.000 1.084 318 D HN 0.210 nan 8.370 nan 0.000 0.495 319 V N -0.368 119.534 119.914 -0.019 0.000 2.735 319 V HA 0.542 4.665 4.120 0.005 0.000 0.310 319 V C 0.590 176.726 176.094 0.070 0.000 1.061 319 V CA -0.854 61.467 62.300 0.035 0.000 0.913 319 V CB 2.344 34.197 31.823 0.050 0.000 1.005 319 V HN -0.049 nan 8.190 nan 0.000 0.428 320 K N 1.862 122.312 120.400 0.083 0.000 2.358 320 K HA 0.325 4.649 4.320 0.005 0.000 0.197 320 K C 0.089 176.738 176.600 0.082 0.000 1.025 320 K CA 0.225 56.555 56.287 0.072 0.000 1.104 320 K CB 0.448 32.982 32.500 0.056 0.000 0.855 320 K HN 1.001 nan 8.250 nan 0.000 0.531 321 E N -0.082 120.188 120.200 0.116 0.000 2.401 321 E HA 0.196 4.550 4.350 0.005 0.000 0.280 321 E C -1.233 175.437 176.600 0.117 0.000 1.039 321 E CA -0.760 55.695 56.400 0.092 0.000 0.814 321 E CB 0.195 29.939 29.700 0.074 0.000 1.275 321 E HN -0.255 nan 8.360 nan 0.000 0.448 322 N N 0.894 119.601 118.700 0.011 0.000 2.671 322 N HA 0.143 4.886 4.740 0.005 0.000 0.274 322 N C -0.949 174.496 175.510 -0.108 0.000 1.188 322 N CA 0.171 53.143 53.050 -0.130 0.000 1.065 322 N CB 0.338 38.672 38.487 -0.254 0.000 1.415 322 N HN 0.436 nan 8.380 nan 0.000 0.511 323 S N 2.213 117.904 115.700 -0.016 0.000 2.777 323 S HA 0.288 4.761 4.470 0.005 0.000 0.140 323 S C -1.582 173.159 174.600 0.235 0.000 1.233 323 S CA -0.735 57.560 58.200 0.159 0.000 1.157 323 S CB -0.519 62.801 63.200 0.200 0.000 1.600 323 S HN 0.435 nan 8.310 nan 0.000 0.432 324 Y N -0.402 120.004 120.300 0.176 0.000 2.656 324 Y HA 0.741 5.294 4.550 0.005 0.000 0.334 324 Y C -1.089 174.845 175.900 0.056 0.000 1.179 324 Y CA -1.154 57.004 58.100 0.096 0.000 1.050 324 Y CB 0.661 39.168 38.460 0.078 0.000 1.308 324 Y HN 0.280 nan 8.280 nan 0.000 0.456 325 E N 2.148 122.506 120.200 0.265 0.000 2.187 325 E HA 0.561 4.914 4.350 0.005 0.000 0.268 325 E C -1.532 175.164 176.600 0.159 0.000 0.896 325 E CA -0.809 55.594 56.400 0.005 0.000 0.766 325 E CB 1.388 30.945 29.700 -0.238 0.000 1.142 325 E HN 0.743 nan 8.360 nan 0.000 0.408 326 I N 4.356 124.994 120.570 0.113 0.000 2.331 326 I HA 0.231 4.404 4.170 0.005 0.000 0.292 326 I C -0.617 175.567 176.117 0.111 0.000 0.998 326 I CA -0.863 60.526 61.300 0.148 0.000 1.267 326 I CB 1.596 39.719 38.000 0.206 0.000 1.386 326 I HN 0.263 nan 8.210 nan 0.000 0.476 327 V N 6.118 126.113 119.914 0.136 0.000 2.409 327 V HA 0.320 4.443 4.120 0.005 0.000 0.291 327 V C -0.549 175.629 176.094 0.140 0.000 1.020 327 V CA -0.512 61.875 62.300 0.146 0.000 0.848 327 V CB 1.662 33.597 31.823 0.187 0.000 0.990 327 V HN 0.856 nan 8.190 nan 0.000 0.430 328 C N 5.023 124.431 119.300 0.180 0.000 2.381 328 C HA 0.717 5.180 4.460 0.005 0.000 0.328 328 C C -0.360 174.799 174.990 0.281 0.000 1.190 328 C CA -0.345 58.799 59.018 0.211 0.000 1.369 328 C CB 0.754 28.628 27.740 0.223 0.000 2.029 328 C HN 0.990 nan 8.230 nan 0.000 0.448 329 E N 4.225 124.561 120.200 0.226 0.000 2.179 329 E HA 0.807 5.160 4.350 0.005 0.000 0.275 329 E C -0.623 176.155 176.600 0.297 0.000 0.945 329 E CA -0.105 56.407 56.400 0.187 0.000 0.792 329 E CB 1.234 30.975 29.700 0.068 0.000 1.125 329 E HN 0.610 nan 8.360 nan 0.000 0.397 330 F N -0.912 119.066 119.950 0.046 0.000 2.713 330 F HA 0.699 5.229 4.527 0.006 0.000 0.311 330 F C -0.910 174.922 175.800 0.053 0.000 1.141 330 F CA -1.180 56.853 58.000 0.054 0.000 0.939 330 F CB 1.024 40.069 39.000 0.075 0.000 1.325 330 F HN 0.292 nan 8.300 nan 0.000 0.453 331 S N 0.580 116.355 115.700 0.124 0.000 2.578 331 S HA 0.899 5.372 4.470 0.005 0.000 0.301 331 S C 0.166 174.875 174.600 0.182 0.000 1.091 331 S CA -0.238 57.975 58.200 0.022 0.000 1.032 331 S CB 1.034 64.246 63.200 0.021 0.000 1.064 331 S HN 2.490 nan 8.310 nan 0.000 0.508 332 G N 2.046 110.917 108.800 0.119 0.000 2.531 332 G HA2 -0.207 3.756 3.960 0.005 0.000 0.274 332 G HA3 -0.207 3.756 3.960 0.005 0.000 0.274 332 G C -0.553 174.536 174.900 0.314 0.000 1.159 332 G CA 0.123 45.326 45.100 0.172 0.000 0.969 332 G HN 0.923 nan 8.290 nan 0.000 0.554 333 E N -0.245 120.104 120.200 0.249 0.000 2.250 333 E HA 0.719 5.072 4.350 0.005 0.000 0.265 333 E C -0.199 176.470 176.600 0.116 0.000 1.033 333 E CA -0.370 56.149 56.400 0.198 0.000 0.888 333 E CB 2.277 32.026 29.700 0.082 0.000 1.151 333 E HN 0.626 nan 8.360 nan 0.000 0.412 334 I N 0.318 120.842 120.570 -0.076 0.000 2.918 334 I HA 0.225 4.399 4.170 0.005 0.000 0.301 334 I C -1.740 174.241 176.117 -0.227 0.000 1.312 334 I CA -0.429 60.689 61.300 -0.304 0.000 1.007 334 I CB 2.255 39.684 38.000 -0.951 0.000 1.281 334 I HN 0.520 nan 8.210 nan 0.000 0.440 335 E N 6.133 126.218 120.200 -0.191 0.000 2.218 335 E HA 0.490 4.843 4.350 0.005 0.000 0.263 335 E C -2.079 174.436 176.600 -0.143 0.000 0.879 335 E CA -0.744 55.560 56.400 -0.160 0.000 0.762 335 E CB 2.070 31.702 29.700 -0.113 0.000 1.166 335 E HN 0.494 nan 8.360 nan 0.000 0.415 336 L N 4.660 125.798 121.223 -0.141 0.000 2.356 336 L HA 0.560 4.903 4.340 0.005 0.000 0.277 336 L C -1.408 175.431 176.870 -0.052 0.000 0.996 336 L CA -0.304 54.492 54.840 -0.073 0.000 0.822 336 L CB 1.323 43.352 42.059 -0.051 0.000 1.256 336 L HN 0.519 nan 8.230 nan 0.000 0.413 337 R N 6.628 127.110 120.500 -0.029 0.000 2.534 337 R HA 0.744 5.087 4.340 0.005 0.000 0.301 337 R C -0.972 175.319 176.300 -0.014 0.000 0.961 337 R CA -0.759 55.315 56.100 -0.044 0.000 0.871 337 R CB 2.029 32.281 30.300 -0.080 0.000 1.170 337 R HN 0.759 nan 8.270 nan 0.000 0.446 338 M N 0.190 119.776 119.600 -0.023 0.000 2.326 338 M HA 0.826 5.309 4.480 0.005 0.000 0.306 338 M C -0.496 175.577 176.300 -0.378 0.000 1.054 338 M CA -0.617 54.673 55.300 -0.016 0.000 0.922 338 M CB 2.449 35.186 32.600 0.227 0.000 1.632 338 M HN 0.746 nan 8.290 nan 0.000 0.436 339 G N 2.517 111.052 108.800 -0.441 0.000 2.356 339 G HA2 0.452 4.415 3.960 0.005 0.000 0.281 339 G HA3 0.452 4.415 3.960 0.005 0.000 0.281 339 G C -1.932 172.785 174.900 -0.306 0.000 1.246 339 G CA -0.193 44.421 45.100 -0.810 0.000 0.889 339 G HN 1.019 nan 8.290 nan 0.000 0.486 340 N N -1.719 116.858 118.700 -0.206 0.000 3.600 340 N HA 0.322 5.065 4.740 0.005 0.000 0.348 340 N C 0.588 176.063 175.510 -0.058 0.000 1.649 340 N CA -0.107 52.913 53.050 -0.050 0.000 0.710 340 N CB 0.402 38.920 38.487 0.052 0.000 2.380 340 N HN 0.458 nan 8.380 nan 0.000 0.631 341 E N -0.594 119.592 120.200 -0.024 0.000 2.274 341 E HA 0.047 4.400 4.350 0.005 0.000 0.194 341 E C 0.334 176.918 176.600 -0.027 0.000 0.996 341 E CA 1.252 57.636 56.400 -0.028 0.000 0.840 341 E CB -0.055 29.636 29.700 -0.015 0.000 0.772 341 E HN 0.488 nan 8.360 nan 0.000 0.491 342 S N -0.352 115.339 115.700 -0.015 0.000 2.549 342 S HA 0.130 4.603 4.470 0.005 0.000 0.225 342 S C 0.075 174.667 174.600 -0.013 0.000 1.039 342 S CA -0.146 58.049 58.200 -0.007 0.000 0.942 342 S CB 0.717 63.928 63.200 0.018 0.000 0.881 342 S HN 0.107 nan 8.310 nan 0.000 0.503 343 E N 0.800 120.979 120.200 -0.035 0.000 2.317 343 E HA 0.602 4.955 4.350 0.005 0.000 0.270 343 E C -1.153 175.312 176.600 -0.224 0.000 0.885 343 E CA -0.594 55.779 56.400 -0.045 0.000 0.760 343 E CB 2.102 31.864 29.700 0.102 0.000 1.227 343 E HN 0.136 nan 8.360 nan 0.000 0.434 344 E N 0.639 120.710 120.200 -0.215 0.000 2.392 344 E HA 0.465 4.818 4.350 0.005 0.000 0.279 344 E C -1.481 175.013 176.600 -0.176 0.000 0.964 344 E CA -0.774 55.444 56.400 -0.303 0.000 0.777 344 E CB 2.736 32.328 29.700 -0.179 0.000 1.249 344 E HN 0.088 nan 8.360 nan 0.000 0.449 345 V N 1.688 121.512 119.914 -0.151 0.000 2.604 345 V HA 0.454 4.577 4.120 0.005 0.000 0.305 345 V C -0.662 175.394 176.094 -0.062 0.000 1.043 345 V CA -0.750 61.528 62.300 -0.038 0.000 0.888 345 V CB 1.928 33.828 31.823 0.128 0.000 0.995 345 V HN 0.408 nan 8.190 nan 0.000 0.429 346 V N 5.604 125.440 119.914 -0.130 0.000 2.540 346 V HA 0.568 4.691 4.120 0.005 0.000 0.302 346 V C -0.489 175.434 176.094 -0.285 0.000 1.035 346 V CA -0.552 61.649 62.300 -0.166 0.000 0.873 346 V CB 1.959 33.690 31.823 -0.154 0.000 0.992 346 V HN 0.764 nan 8.190 nan 0.000 0.428 347 I N 4.684 125.066 120.570 -0.313 0.000 2.406 347 I HA 0.716 4.889 4.170 0.005 0.000 0.290 347 I C -0.073 175.856 176.117 -0.313 0.000 0.999 347 I CA 0.076 61.105 61.300 -0.453 0.000 1.124 347 I CB 1.910 39.486 38.000 -0.707 0.000 1.289 347 I HN 0.846 nan 8.210 nan 0.000 0.441 348 T N 3.325 117.698 114.554 -0.300 0.000 2.824 348 T HA 0.402 4.755 4.350 0.005 0.000 0.282 348 T C -0.668 173.905 174.700 -0.212 0.000 0.993 348 T CA -0.897 61.069 62.100 -0.222 0.000 0.967 348 T CB 1.604 70.370 68.868 -0.170 0.000 0.960 348 T HN 0.605 nan 8.240 nan 0.000 0.441 349 K N 2.326 122.636 120.400 -0.149 0.000 2.281 349 K HA 0.460 4.783 4.320 0.005 0.000 0.272 349 K C -0.750 175.835 176.600 -0.024 0.000 1.048 349 K CA -0.427 55.817 56.287 -0.071 0.000 0.898 349 K CB 0.889 33.455 32.500 0.110 0.000 1.128 349 K HN 0.685 nan 8.250 nan 0.000 0.460 350 S N 4.617 120.291 115.700 -0.042 0.000 2.552 350 S HA 0.307 4.780 4.470 0.005 0.000 0.314 350 S C 0.430 175.026 174.600 -0.006 0.000 1.099 350 S CA -0.643 57.545 58.200 -0.020 0.000 1.070 350 S CB 0.556 63.733 63.200 -0.038 0.000 0.998 350 S HN 0.920 nan 8.310 nan 0.000 0.474 351 R N 3.030 123.540 120.500 0.016 0.000 3.707 351 R HA -0.267 4.076 4.340 0.005 0.000 0.437 351 R C 0.106 176.422 176.300 0.026 0.000 0.391 351 R CA 2.144 58.258 56.100 0.024 0.000 0.833 351 R CB -1.640 28.669 30.300 0.015 0.000 0.690 351 R HN 0.591 nan 8.270 nan 0.000 0.397 352 D N 1.551 121.958 120.400 0.011 0.000 2.369 352 D HA 0.201 4.844 4.640 0.005 0.000 0.211 352 D C -0.488 175.806 176.300 -0.009 0.000 1.077 352 D CA 0.237 54.245 54.000 0.013 0.000 0.842 352 D CB 0.413 41.221 40.800 0.013 0.000 0.947 352 D HN 0.351 nan 8.370 nan 0.000 0.509 353 E N 0.152 120.332 120.200 -0.034 0.000 2.238 353 E HA 0.338 4.691 4.350 0.005 0.000 0.267 353 E C -1.136 175.385 176.600 -0.130 0.000 0.887 353 E CA -0.732 55.629 56.400 -0.066 0.000 0.769 353 E CB 2.342 32.011 29.700 -0.052 0.000 1.187 353 E HN -0.034 nan 8.360 nan 0.000 0.416 354 L N 5.121 126.233 121.223 -0.184 0.000 2.282 354 L HA 0.553 4.897 4.340 0.005 0.000 0.288 354 L C -0.982 175.708 176.870 -0.299 0.000 1.033 354 L CA -0.701 53.948 54.840 -0.317 0.000 0.807 354 L CB 1.113 42.895 42.059 -0.461 0.000 1.209 354 L HN 0.612 nan 8.230 nan 0.000 0.423 355 I N 5.081 125.439 120.570 -0.353 0.000 2.499 355 I HA 0.490 4.664 4.170 0.005 0.000 0.288 355 I C -1.319 174.538 176.117 -0.433 0.000 1.048 355 I CA -0.323 60.794 61.300 -0.306 0.000 1.062 355 I CB 1.980 39.879 38.000 -0.169 0.000 1.238 355 I HN 0.196 nan 8.210 nan 0.000 0.426 356 V N 6.010 125.656 119.914 -0.446 0.000 2.459 356 V HA 0.537 4.660 4.120 0.005 0.000 0.295 356 V C -0.807 175.098 176.094 -0.316 0.000 1.029 356 V CA -0.369 61.644 62.300 -0.479 0.000 0.874 356 V CB 1.516 33.017 31.823 -0.536 0.000 0.985 356 V HN 0.773 nan 8.190 nan 0.000 0.438 357 D N 2.838 123.040 120.400 -0.329 0.000 2.469 357 D HA 0.300 4.943 4.640 0.005 0.000 0.251 357 D C 0.707 176.850 176.300 -0.262 0.000 1.173 357 D CA -0.207 53.652 54.000 -0.235 0.000 0.882 357 D CB 2.034 42.735 40.800 -0.165 0.000 1.129 357 D HN 0.679 nan 8.370 nan 0.000 0.549 358 T N -0.632 113.748 114.554 -0.291 0.000 3.134 358 T HA 0.009 4.362 4.350 0.005 0.000 0.260 358 T C 1.581 176.231 174.700 -0.082 0.000 1.027 358 T CA 0.426 62.397 62.100 -0.215 0.000 0.913 358 T CB -0.179 68.498 68.868 -0.319 0.000 1.046 358 T HN 0.315 nan 8.240 nan 0.000 0.553 359 T N 0.905 115.422 114.554 -0.061 0.000 2.849 359 T HA -0.076 4.277 4.350 0.005 0.000 0.270 359 T C 1.597 176.293 174.700 -0.007 0.000 1.066 359 T CA 0.619 62.709 62.100 -0.018 0.000 1.130 359 T CB -0.419 68.439 68.868 -0.017 0.000 0.864 359 T HN 0.475 nan 8.240 nan 0.000 0.481 360 R N 1.103 121.591 120.500 -0.021 0.000 2.633 360 R HA 0.318 4.661 4.340 0.005 0.000 0.348 360 R C 2.078 178.384 176.300 0.011 0.000 1.100 360 R CA 0.386 56.479 56.100 -0.011 0.000 1.068 360 R CB 0.321 30.600 30.300 -0.035 0.000 1.351 360 R HN 0.577 nan 8.270 nan 0.000 0.575 361 S N -1.022 114.700 115.700 0.037 0.000 2.436 361 S HA 0.156 4.629 4.470 0.005 0.000 0.228 361 S C 1.071 175.772 174.600 0.169 0.000 1.014 361 S CA 0.593 58.863 58.200 0.116 0.000 0.950 361 S CB 0.453 63.701 63.200 0.080 0.000 0.784 361 S HN 0.415 nan 8.310 nan 0.000 0.504 362 G N -0.127 108.740 108.800 0.112 0.000 2.367 362 G HA2 0.241 4.204 3.960 0.005 0.000 0.272 362 G HA3 0.241 4.204 3.960 0.005 0.000 0.272 362 G C 0.076 175.039 174.900 0.106 0.000 1.271 362 G CA -0.169 45.008 45.100 0.129 0.000 0.893 362 G HN 0.371 nan 8.290 nan 0.000 0.485 363 V N 1.081 121.070 119.914 0.125 0.000 2.970 363 V HA 0.086 4.209 4.120 0.005 0.000 0.260 363 V C 2.434 178.573 176.094 0.075 0.000 1.100 363 V CA 2.921 65.280 62.300 0.099 0.000 1.122 363 V CB -0.157 31.738 31.823 0.120 0.000 0.721 363 V HN 1.232 nan 8.190 nan 0.000 0.483 364 S N -1.043 114.715 115.700 0.096 0.000 2.577 364 S HA 0.387 4.860 4.470 0.005 0.000 0.219 364 S C 1.265 175.941 174.600 0.126 0.000 0.962 364 S CA 0.464 58.741 58.200 0.129 0.000 0.921 364 S CB 0.062 63.417 63.200 0.258 0.000 0.789 364 S HN 1.197 nan 8.310 nan 0.000 0.497 365 G N 0.976 109.830 108.800 0.089 0.000 2.582 365 G HA2 0.189 4.152 3.960 0.005 0.000 0.288 365 G HA3 0.189 4.152 3.960 0.005 0.000 0.288 365 G C 0.252 175.197 174.900 0.075 0.000 1.247 365 G CA -0.164 44.978 45.100 0.070 0.000 0.972 365 G HN 1.755 nan 8.290 nan 0.000 0.557 366 G N -2.406 106.436 108.800 0.071 0.000 2.392 366 G HA2 0.621 4.584 3.960 0.005 0.000 0.260 366 G HA3 0.621 4.584 3.960 0.005 0.000 0.260 366 G C -1.133 173.813 174.900 0.077 0.000 1.226 366 G CA 0.560 45.709 45.100 0.081 0.000 0.913 366 G HN 1.115 nan 8.290 nan 0.000 0.483 367 E N -1.868 118.379 120.200 0.079 0.000 2.458 367 E HA 0.584 4.937 4.350 0.005 0.000 0.278 367 E C -1.495 175.141 176.600 0.060 0.000 1.004 367 E CA -0.857 55.601 56.400 0.096 0.000 0.823 367 E CB 2.911 32.712 29.700 0.168 0.000 1.396 367 E HN 0.314 nan 8.360 nan 0.000 0.463 368 V N 1.918 121.875 119.914 0.072 0.000 2.384 368 V HA 0.496 4.619 4.120 0.005 0.000 0.287 368 V C -0.333 175.842 176.094 0.136 0.000 1.020 368 V CA -0.668 61.664 62.300 0.052 0.000 0.850 368 V CB 1.134 32.964 31.823 0.011 0.000 0.987 368 V HN 0.458 nan 8.190 nan 0.000 0.436 369 R N 3.705 124.329 120.500 0.206 0.000 2.750 369 R HA 0.706 5.049 4.340 0.005 0.000 0.281 369 R C -1.020 175.455 176.300 0.290 0.000 0.972 369 R CA -0.836 55.448 56.100 0.308 0.000 0.912 369 R CB 2.757 33.375 30.300 0.529 0.000 1.187 369 R HN 0.651 nan 8.270 nan 0.000 0.464 370 K N 0.216 120.769 120.400 0.256 0.000 2.469 370 K HA 0.510 4.833 4.320 0.005 0.000 0.254 370 K C -0.978 175.689 176.600 0.112 0.000 0.939 370 K CA -0.590 55.790 56.287 0.154 0.000 0.812 370 K CB 2.726 35.249 32.500 0.039 0.000 1.301 370 K HN 0.449 nan 8.250 nan 0.000 0.433 371 S N 0.610 116.365 115.700 0.091 0.000 2.546 371 S HA 0.381 4.855 4.470 0.005 0.000 0.274 371 S C -1.035 173.531 174.600 -0.056 0.000 1.121 371 S CA -0.651 57.483 58.200 -0.110 0.000 0.887 371 S CB 1.396 64.366 63.200 -0.383 0.000 1.094 371 S HN 0.600 nan 8.310 nan 0.000 0.474 372 T N 1.140 115.659 114.554 -0.060 0.000 2.907 372 T HA 0.659 5.012 4.350 0.005 0.000 0.298 372 T C -0.101 174.603 174.700 0.007 0.000 1.017 372 T CA -0.460 61.628 62.100 -0.020 0.000 1.118 372 T CB 0.711 69.577 68.868 -0.004 0.000 0.948 372 T HN 0.416 nan 8.240 nan 0.000 0.531 373 V N 1.834 121.763 119.914 0.025 0.000 3.078 373 V HA 0.427 4.550 4.120 0.005 0.000 0.311 373 V C -0.360 175.805 176.094 0.118 0.000 1.138 373 V CA -1.248 61.105 62.300 0.089 0.000 1.007 373 V CB 2.303 34.159 31.823 0.055 0.000 1.045 373 V HN 0.970 nan 8.190 nan 0.000 0.432 374 E N 1.600 121.898 120.200 0.164 0.000 2.229 374 E HA 0.257 4.610 4.350 0.005 0.000 0.283 374 E C -0.838 175.864 176.600 0.170 0.000 1.030 374 E CA -0.399 56.082 56.400 0.135 0.000 0.836 374 E CB 0.810 30.576 29.700 0.110 0.000 1.068 374 E HN 0.524 nan 8.360 nan 0.000 0.401 375 D N 2.930 123.404 120.400 0.123 0.000 2.389 375 D HA 0.030 4.673 4.640 0.005 0.000 0.247 375 D C -0.491 175.842 176.300 0.054 0.000 1.128 375 D CA 0.293 54.358 54.000 0.107 0.000 0.884 375 D CB 0.685 41.530 40.800 0.076 0.000 1.194 375 D HN 0.360 nan 8.370 nan 0.000 0.441 376 E N 0.846 121.051 120.200 0.009 0.000 2.263 376 E HA 0.478 4.832 4.350 0.005 0.000 0.264 376 E C 0.280 176.843 176.600 -0.061 0.000 0.923 376 E CA -0.977 55.401 56.400 -0.038 0.000 0.802 376 E CB 1.696 31.348 29.700 -0.081 0.000 1.228 376 E HN 0.396 nan 8.360 nan 0.000 0.417 377 A N 1.510 124.300 122.820 -0.050 0.000 1.972 377 A HA -0.080 4.243 4.320 0.005 0.000 0.219 377 A C 1.087 178.622 177.584 -0.082 0.000 1.169 377 A CA 1.446 53.455 52.037 -0.047 0.000 0.635 377 A CB -0.447 18.536 19.000 -0.028 0.000 0.810 377 A HN 0.572 nan 8.150 nan 0.000 0.446 378 T N -1.062 113.422 114.554 -0.116 0.000 2.812 378 T HA 0.584 4.937 4.350 0.005 0.000 0.282 378 T C -0.748 173.782 174.700 -0.284 0.000 0.990 378 T CA -1.065 60.930 62.100 -0.175 0.000 0.960 378 T CB 1.428 70.228 68.868 -0.113 0.000 0.948 378 T HN 0.193 nan 8.240 nan 0.000 0.438 379 N N 2.170 120.560 118.700 -0.515 0.000 2.443 379 N HA 0.538 5.281 4.740 0.005 0.000 0.293 379 N C -0.695 174.498 175.510 -0.528 0.000 1.159 379 N CA -0.834 51.803 53.050 -0.688 0.000 0.904 379 N CB 2.398 40.268 38.487 -1.027 0.000 1.214 379 N HN 0.643 nan 8.380 nan 0.000 0.513 380 R N 1.173 121.442 120.500 -0.385 0.000 2.514 380 R HA 0.498 4.841 4.340 0.005 0.000 0.296 380 R C -1.274 175.093 176.300 0.112 0.000 1.012 380 R CA -0.441 55.628 56.100 -0.052 0.000 0.897 380 R CB 0.923 31.186 30.300 -0.062 0.000 1.184 380 R HN 0.548 nan 8.270 nan 0.000 0.440 381 I N 3.700 124.498 120.570 0.381 0.000 2.377 381 I HA 0.454 4.627 4.170 0.005 0.000 0.293 381 I C 0.007 176.333 176.117 0.348 0.000 0.987 381 I CA -0.733 60.840 61.300 0.455 0.000 1.185 381 I CB 1.833 40.137 38.000 0.507 0.000 1.341 381 I HN 0.427 nan 8.210 nan 0.000 0.455 382 R N 4.526 125.258 120.500 0.387 0.000 2.480 382 R HA 0.794 5.137 4.340 0.005 0.000 0.306 382 R C -1.182 175.329 176.300 0.352 0.000 0.958 382 R CA -0.629 55.645 56.100 0.290 0.000 0.861 382 R CB 2.065 32.544 30.300 0.298 0.000 1.171 382 R HN 0.724 nan 8.270 nan 0.000 0.445 383 A N 3.915 126.807 122.820 0.119 0.000 2.356 383 A HA 0.642 4.965 4.320 0.005 0.000 0.310 383 A C -1.339 176.156 177.584 -0.149 0.000 1.075 383 A CA -0.522 51.510 52.037 -0.009 0.000 0.746 383 A CB 0.686 19.676 19.000 -0.017 0.000 1.221 383 A HN 0.611 nan 8.150 nan 0.000 0.443 384 F N 2.212 122.188 119.950 0.043 0.000 2.375 384 F HA 0.490 5.020 4.527 0.005 0.000 0.361 384 F C -0.148 175.684 175.800 0.053 0.000 1.117 384 F CA -0.529 57.559 58.000 0.147 0.000 1.037 384 F CB 1.875 41.070 39.000 0.326 0.000 1.192 384 F HN 0.480 nan 8.300 nan 0.000 0.452 385 L N 4.373 125.654 121.223 0.096 0.000 2.282 385 L HA 0.580 4.923 4.340 0.005 0.000 0.288 385 L C -0.777 176.069 176.870 -0.041 0.000 1.033 385 L CA 0.219 54.988 54.840 -0.118 0.000 0.807 385 L CB 0.688 42.462 42.059 -0.475 0.000 1.209 385 L HN 0.503 nan 8.230 nan 0.000 0.423 386 D N 1.325 121.656 120.400 -0.115 0.000 2.714 386 D HA 0.381 5.024 4.640 0.005 0.000 0.278 386 D C 0.735 176.906 176.300 -0.215 0.000 1.102 386 D CA -0.282 53.564 54.000 -0.256 0.000 1.108 386 D CB 2.327 42.749 40.800 -0.629 0.000 1.444 386 D HN 0.513 nan 8.370 nan 0.000 0.568 387 S N -0.617 114.971 115.700 -0.186 0.000 2.400 387 S HA -0.123 4.350 4.470 0.005 0.000 0.232 387 S C 1.485 176.061 174.600 -0.040 0.000 1.025 387 S CA 1.412 59.563 58.200 -0.082 0.000 0.993 387 S CB -0.359 62.820 63.200 -0.035 0.000 0.808 387 S HN 0.595 nan 8.310 nan 0.000 0.478 388 C N 0.774 119.992 119.300 -0.138 0.000 3.144 388 C HA 0.736 5.200 4.460 0.005 0.000 0.253 388 C C 0.071 174.807 174.990 -0.423 0.000 2.010 388 C CA -0.714 58.092 59.018 -0.353 0.000 1.698 388 C CB -1.129 26.415 27.740 -0.326 0.000 3.346 388 C HN 0.311 nan 8.230 nan 0.000 0.449 389 S N -0.711 114.832 115.700 -0.261 0.000 2.567 389 S HA 0.765 5.238 4.470 0.005 0.000 0.270 389 S C -1.652 172.895 174.600 -0.089 0.000 1.152 389 S CA -0.434 57.660 58.200 -0.177 0.000 0.835 389 S CB 1.613 64.730 63.200 -0.138 0.000 1.115 389 S HN 1.277 nan 8.310 nan 0.000 0.459 390 V N 0.933 120.834 119.914 -0.022 0.000 2.668 390 V HA 0.655 4.778 4.120 0.005 0.000 0.304 390 V C -1.702 174.396 176.094 0.006 0.000 1.071 390 V CA -0.280 61.992 62.300 -0.046 0.000 0.894 390 V CB 1.823 33.586 31.823 -0.100 0.000 1.008 390 V HN 1.044 nan 8.190 nan 0.000 0.425 391 E N 5.711 125.879 120.200 -0.053 0.000 2.199 391 E HA 0.537 4.890 4.350 0.005 0.000 0.265 391 E C -1.659 174.818 176.600 -0.205 0.000 0.882 391 E CA -0.276 56.090 56.400 -0.057 0.000 0.759 391 E CB 2.262 31.995 29.700 0.056 0.000 1.148 391 E HN 0.579 nan 8.360 nan 0.000 0.412 392 F N 2.356 122.294 119.950 -0.020 0.000 2.443 392 F HA 0.504 5.034 4.527 0.005 0.000 0.335 392 F C -0.386 175.265 175.800 -0.247 0.000 1.104 392 F CA -0.703 57.322 58.000 0.041 0.000 1.013 392 F CB 0.936 40.016 39.000 0.133 0.000 1.136 392 F HN 0.351 nan 8.300 nan 0.000 0.470 393 F N 3.362 123.627 119.950 0.525 0.000 2.518 393 F HA 0.418 4.948 4.527 0.005 0.000 0.323 393 F C -0.818 175.256 175.800 0.457 0.000 1.129 393 F CA -0.933 57.326 58.000 0.430 0.000 0.920 393 F CB 1.609 40.810 39.000 0.335 0.000 1.160 393 F HN 0.253 nan 8.300 nan 0.000 0.440 394 F N 4.373 124.573 119.950 0.416 0.000 2.467 394 F HA 0.424 4.954 4.527 0.005 0.000 0.336 394 F C 0.440 176.394 175.800 0.257 0.000 1.123 394 F CA -0.838 57.354 58.000 0.319 0.000 0.964 394 F CB 0.913 40.089 39.000 0.293 0.000 1.136 394 F HN 0.533 nan 8.300 nan 0.000 0.447 395 N N 4.023 122.474 118.700 -0.415 0.000 2.710 395 N HA -0.261 4.482 4.740 0.005 0.000 0.249 395 N C -0.427 175.083 175.510 0.000 0.000 1.059 395 N CA 1.551 54.415 53.050 -0.310 0.000 0.720 395 N CB -1.216 36.990 38.487 -0.468 0.000 0.983 395 N HN 0.759 nan 8.380 nan 0.000 0.544 396 D N -2.309 118.154 120.400 0.106 0.000 2.737 396 D HA -0.210 4.433 4.640 0.005 0.000 0.233 396 D C 0.868 177.317 176.300 0.247 0.000 1.155 396 D CA 1.478 55.591 54.000 0.187 0.000 0.667 396 D CB -1.096 39.786 40.800 0.137 0.000 1.060 396 D HN 0.657 nan 8.370 nan 0.000 0.427 397 S N -1.414 114.424 115.700 0.229 0.000 3.084 397 S HA 0.223 4.696 4.470 0.005 0.000 0.262 397 S C 0.413 175.122 174.600 0.181 0.000 1.081 397 S CA -0.268 58.029 58.200 0.161 0.000 0.855 397 S CB 0.793 64.079 63.200 0.144 0.000 0.857 397 S HN 0.306 nan 8.310 nan 0.000 0.449 398 I N 1.380 122.129 120.570 0.299 0.000 2.730 398 I HA 0.778 4.951 4.170 0.005 0.000 0.298 398 I C -1.599 174.699 176.117 0.303 0.000 1.089 398 I CA -1.001 60.463 61.300 0.272 0.000 1.041 398 I CB 2.033 40.257 38.000 0.373 0.000 1.235 398 I HN 0.386 nan 8.210 nan 0.000 0.423 399 A N 5.807 128.675 122.820 0.081 0.000 2.435 399 A HA 0.829 5.152 4.320 0.005 0.000 0.304 399 A C -1.918 175.575 177.584 -0.152 0.000 1.064 399 A CA -0.330 51.657 52.037 -0.083 0.000 0.727 399 A CB 1.259 20.114 19.000 -0.242 0.000 1.284 399 A HN 0.555 nan 8.150 nan 0.000 0.415 400 F N 1.039 120.886 119.950 -0.171 0.000 2.539 400 F HA 0.519 5.049 4.527 0.005 0.000 0.328 400 F C 0.325 175.996 175.800 -0.214 0.000 1.148 400 F CA -0.043 57.891 58.000 -0.110 0.000 0.940 400 F CB 2.640 41.765 39.000 0.210 0.000 1.194 400 F HN 0.424 nan 8.300 nan 0.000 0.438 401 S N 4.149 119.644 115.700 -0.342 0.000 2.473 401 S HA 0.786 5.259 4.470 0.005 0.000 0.307 401 S C -1.164 173.111 174.600 -0.542 0.000 1.094 401 S CA -0.563 57.474 58.200 -0.272 0.000 1.070 401 S CB 0.858 63.978 63.200 -0.133 0.000 1.019 401 S HN 0.359 nan 8.310 nan 0.000 0.480 402 F N 1.185 121.160 119.950 0.041 0.000 2.588 402 F HA 0.540 5.070 4.527 0.005 0.000 0.310 402 F C 0.353 176.070 175.800 -0.138 0.000 1.082 402 F CA -1.176 56.824 58.000 -0.000 0.000 0.929 402 F CB 1.257 40.291 39.000 0.057 0.000 1.254 402 F HN 0.158 nan 8.300 nan 0.000 0.455 403 R N 3.092 123.563 120.500 -0.048 0.000 2.297 403 R HA 0.670 5.013 4.340 0.005 0.000 0.308 403 R C -0.642 175.411 176.300 -0.412 0.000 1.029 403 R CA -0.487 55.380 56.100 -0.388 0.000 0.929 403 R CB 1.211 31.082 30.300 -0.715 0.000 1.046 403 R HN 0.849 nan 8.270 nan 0.000 0.461 404 I N -1.222 118.984 120.570 -0.607 0.000 2.969 404 I HA 0.455 4.628 4.170 0.005 0.000 0.307 404 I C -0.533 175.024 176.117 -0.932 0.000 1.149 404 I CA -0.905 60.096 61.300 -0.498 0.000 1.008 404 I CB 2.909 40.786 38.000 -0.204 0.000 1.232 404 I HN 0.425 nan 8.210 nan 0.000 0.435 405 H N 2.136 121.046 119.070 -0.266 0.000 2.429 405 H HA 0.377 4.936 4.556 0.005 0.000 0.231 405 H C -2.723 172.622 175.328 0.028 0.000 1.416 405 H CA -1.453 54.364 56.048 -0.384 0.000 1.443 405 H CB 0.994 30.304 29.762 -0.753 0.000 1.591 405 H HN 0.378 nan 8.280 nan 0.000 0.507 406 P HA 0.085 nan 4.420 nan 0.000 0.275 406 P C 0.823 178.288 177.300 0.275 0.000 1.228 406 P CA -0.103 63.112 63.100 0.193 0.000 0.786 406 P CB 1.621 33.324 31.700 0.004 0.000 0.927 407 E N 0.658 120.980 120.200 0.203 0.000 2.318 407 E HA -0.003 4.350 4.350 0.005 0.000 0.193 407 E C -0.056 176.589 176.600 0.075 0.000 0.998 407 E CA 0.708 57.186 56.400 0.131 0.000 0.859 407 E CB 0.027 29.794 29.700 0.111 0.000 0.812 407 E HN 0.531 nan 8.360 nan 0.000 0.492 408 N N -0.693 118.074 118.700 0.111 0.000 2.455 408 N HA 0.228 4.971 4.740 0.005 0.000 0.278 408 N C -1.228 174.362 175.510 0.134 0.000 1.291 408 N CA -0.625 52.483 53.050 0.098 0.000 0.780 408 N CB 2.474 41.022 38.487 0.101 0.000 1.520 408 N HN -0.231 nan 8.380 nan 0.000 0.486 409 V N 1.733 121.715 119.914 0.113 0.000 2.763 409 V HA -0.075 4.048 4.120 0.005 0.000 0.306 409 V C -0.370 175.911 176.094 0.312 0.000 1.059 409 V CA 0.517 62.903 62.300 0.144 0.000 1.138 409 V CB -0.190 31.705 31.823 0.120 0.000 0.940 409 V HN 0.554 nan 8.190 nan 0.000 0.489 410 Y N 4.844 125.216 120.300 0.121 0.000 2.632 410 Y HA 0.171 4.724 4.550 0.005 0.000 0.336 410 Y C 1.380 177.393 175.900 0.189 0.000 1.237 410 Y CA -1.069 57.120 58.100 0.147 0.000 1.595 410 Y CB -0.701 37.862 38.460 0.172 0.000 1.508 410 Y HN 0.803 nan 8.280 nan 0.000 0.480 411 N N 0.756 119.586 118.700 0.217 0.000 2.268 411 N HA 0.209 4.952 4.740 0.005 0.000 0.204 411 N C -0.406 175.103 175.510 -0.002 0.000 1.124 411 N CA 0.079 53.182 53.050 0.089 0.000 0.838 411 N CB 0.504 39.026 38.487 0.059 0.000 0.994 411 N HN 0.251 nan 8.380 nan 0.000 0.489 412 I N 1.262 121.834 120.570 0.003 0.000 2.465 412 I HA 0.324 4.497 4.170 0.005 0.000 0.291 412 I C -1.296 174.791 176.117 -0.050 0.000 1.014 412 I CA -1.148 60.118 61.300 -0.056 0.000 1.093 412 I CB 2.217 40.176 38.000 -0.069 0.000 1.267 412 I HN 0.020 nan 8.210 nan 0.000 0.431 413 L N 6.276 127.458 121.223 -0.067 0.000 2.356 413 L HA 0.636 4.979 4.340 0.005 0.000 0.277 413 L C -0.363 176.521 176.870 0.023 0.000 0.996 413 L CA -0.109 54.725 54.840 -0.011 0.000 0.822 413 L CB 1.774 43.810 42.059 -0.038 0.000 1.256 413 L HN 0.623 nan 8.230 nan 0.000 0.413 414 S N 5.209 120.913 115.700 0.007 0.000 2.473 414 S HA 0.914 5.388 4.470 0.005 0.000 0.307 414 S C -0.998 173.626 174.600 0.041 0.000 1.094 414 S CA -0.464 57.731 58.200 -0.010 0.000 1.070 414 S CB 1.446 64.599 63.200 -0.080 0.000 1.019 414 S HN 0.582 nan 8.310 nan 0.000 0.480 415 V N 2.444 122.412 119.914 0.090 0.000 2.735 415 V HA 0.709 4.832 4.120 0.005 0.000 0.310 415 V C -0.484 175.629 176.094 0.031 0.000 1.061 415 V CA -0.912 61.429 62.300 0.068 0.000 0.913 415 V CB 1.571 33.477 31.823 0.139 0.000 1.005 415 V HN 1.014 nan 8.190 nan 0.000 0.428 416 K N 2.234 122.621 120.400 -0.021 0.000 2.613 416 K HA 0.736 5.059 4.320 0.005 0.000 0.248 416 K C -1.025 175.553 176.600 -0.036 0.000 0.959 416 K CA 0.009 56.283 56.287 -0.022 0.000 0.855 416 K CB 1.701 34.178 32.500 -0.038 0.000 1.143 416 K HN 1.018 nan 8.250 nan 0.000 0.437 417 S N 2.812 118.515 115.700 0.005 0.000 2.615 417 S HA 0.369 4.842 4.470 0.005 0.000 0.268 417 S C -1.629 173.012 174.600 0.069 0.000 1.146 417 S CA -0.957 57.264 58.200 0.035 0.000 0.818 417 S CB 0.926 64.147 63.200 0.036 0.000 1.111 417 S HN 0.681 nan 8.310 nan 0.000 0.465 418 N N 1.680 120.436 118.700 0.092 0.000 2.463 418 N HA 0.240 4.983 4.740 0.005 0.000 0.270 418 N C -0.462 175.118 175.510 0.116 0.000 1.205 418 N CA -0.241 52.862 53.050 0.089 0.000 0.974 418 N CB 0.252 38.783 38.487 0.073 0.000 1.197 418 N HN 0.726 nan 8.380 nan 0.000 0.504 419 Q N -1.521 118.331 119.800 0.086 0.000 2.408 419 Q HA -0.167 4.177 4.340 0.005 0.000 0.290 419 Q C -0.411 175.656 176.000 0.113 0.000 1.221 419 Q CA 0.424 56.275 55.803 0.081 0.000 0.895 419 Q CB -1.936 26.842 28.738 0.066 0.000 1.241 419 Q HN 0.428 nan 8.270 nan 0.000 0.494 420 V N -0.605 119.381 119.914 0.119 0.000 2.637 420 V HA 0.265 4.388 4.120 0.005 0.000 0.296 420 V C 0.521 176.663 176.094 0.080 0.000 1.046 420 V CA 0.025 62.405 62.300 0.134 0.000 1.066 420 V CB 0.879 32.769 31.823 0.111 0.000 0.968 420 V HN 0.173 nan 8.190 nan 0.000 0.483 421 K N 5.409 125.858 120.400 0.081 0.000 2.426 421 K HA 0.810 5.133 4.320 0.005 0.000 0.254 421 K C -1.095 175.525 176.600 0.033 0.000 0.936 421 K CA -0.443 55.858 56.287 0.024 0.000 0.801 421 K CB 2.515 35.021 32.500 0.010 0.000 1.139 421 K HN 0.694 nan 8.250 nan 0.000 0.424 422 L N 2.158 123.365 121.223 -0.028 0.000 2.431 422 L HA 0.501 4.844 4.340 0.005 0.000 0.266 422 L C -1.380 175.417 176.870 -0.121 0.000 0.978 422 L CA -0.212 54.622 54.840 -0.011 0.000 0.822 422 L CB 1.674 43.764 42.059 0.050 0.000 1.310 422 L HN 0.888 nan 8.230 nan 0.000 0.409 423 E N 3.637 123.781 120.200 -0.093 0.000 2.369 423 E HA 0.678 5.032 4.350 0.005 0.000 0.270 423 E C -1.787 174.701 176.600 -0.186 0.000 0.909 423 E CA -1.005 55.252 56.400 -0.238 0.000 0.775 423 E CB 2.765 32.252 29.700 -0.354 0.000 1.270 423 E HN 0.312 nan 8.360 nan 0.000 0.445 424 V N 1.950 121.684 119.914 -0.300 0.000 2.531 424 V HA 0.407 4.530 4.120 0.005 0.000 0.301 424 V C -1.265 174.596 176.094 -0.388 0.000 1.034 424 V CA -0.705 61.478 62.300 -0.195 0.000 0.865 424 V CB 0.940 32.676 31.823 -0.145 0.000 0.995 424 V HN 0.567 nan 8.190 nan 0.000 0.424 425 F N 1.950 121.903 119.950 0.004 0.000 2.436 425 F HA 0.440 4.970 4.527 0.005 0.000 0.340 425 F C 0.630 176.459 175.800 0.048 0.000 1.113 425 F CA -0.571 57.430 58.000 0.000 0.000 1.022 425 F CB 1.416 40.398 39.000 -0.030 0.000 1.128 425 F HN 0.501 nan 8.300 nan 0.000 0.466 426 E N 3.869 124.189 120.200 0.201 0.000 2.384 426 E HA 0.231 4.584 4.350 0.005 0.000 0.266 426 E C -1.116 175.572 176.600 0.146 0.000 1.012 426 E CA -0.171 56.338 56.400 0.181 0.000 0.901 426 E CB 0.630 30.404 29.700 0.123 0.000 0.967 426 E HN 0.555 nan 8.360 nan 0.000 0.435 427 L N 3.866 125.153 121.223 0.106 0.000 2.317 427 L HA 0.324 4.667 4.340 0.005 0.000 0.281 427 L C 0.478 177.357 176.870 0.016 0.000 1.024 427 L CA -0.712 54.108 54.840 -0.033 0.000 0.810 427 L CB 1.525 43.414 42.059 -0.284 0.000 1.240 427 L HN 0.640 nan 8.230 nan 0.000 0.427 428 E N 2.757 122.948 120.200 -0.015 0.000 2.442 428 E HA -0.087 4.266 4.350 0.005 0.000 0.262 428 E C -0.315 176.330 176.600 0.075 0.000 1.004 428 E CA -0.139 56.281 56.400 0.032 0.000 0.928 428 E CB 0.640 30.352 29.700 0.020 0.000 0.937 428 E HN 0.442 nan 8.360 nan 0.000 0.446 429 N N 4.388 123.147 118.700 0.098 0.000 2.430 429 N HA 0.008 4.751 4.740 0.005 0.000 0.265 429 N C 0.886 176.409 175.510 0.021 0.000 1.100 429 N CA -0.078 53.041 53.050 0.115 0.000 0.961 429 N CB 0.625 39.208 38.487 0.160 0.000 1.075 429 N HN 0.568 nan 8.380 nan 0.000 0.478 430 I N 0.648 121.119 120.570 -0.166 0.000 3.251 430 I HA 0.109 4.282 4.170 0.005 0.000 0.277 430 I C 0.671 176.540 176.117 -0.412 0.000 1.268 430 I CA 0.032 61.135 61.300 -0.330 0.000 1.449 430 I CB -0.115 37.544 38.000 -0.569 0.000 1.083 430 I HN 0.398 nan 8.210 nan 0.000 0.464 431 W N 0.806 122.173 121.300 0.111 0.000 2.574 431 W HA 0.372 5.036 4.660 0.005 0.000 0.282 431 W C 0.759 177.320 176.519 0.070 0.000 1.197 431 W CA -0.287 57.108 57.345 0.083 0.000 1.376 431 W CB 0.202 29.707 29.460 0.075 0.000 1.091 431 W HN 0.103 nan 8.180 nan 0.000 0.569 432 L N 0.000 121.376 121.223 0.254 0.000 2.949 432 L HA 0.000 4.343 4.340 0.005 0.000 0.249 432 L CA 0.000 54.937 54.840 0.162 0.000 0.813 432 L CB 0.000 42.156 42.059 0.161 0.000 0.961 432 L HN 0.000 nan 8.230 nan 0.000 0.502