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 3cuy_1_A DATA FIRST_RESID 14 DATA SEQUENCE RPCYLVLSSH DFRTPRRANI HFITDQLALR GTTRFFSLRX XXXXXXXGDM DATA SEQUENCE RLPLDDTANT VVSHNGVDCY LWRTTVHPFN TRRSWLRPVE DAMFRWYAAH DATA SEQUENCE PPKQLLDWMR ESDVIVFESG IAVAFIELAK RVNPAAKLVY RASAGLSTIN DATA SEQUENCE VASYIEREFD RVAPTLDVIA LVSPAMAAEV VSRDNVFHVG HGVDHNLDQL DATA SEQUENCE GDPSPYAEGI HAVAVGSMLF DPEFFVVASK AFPQVTFHVI GSGMGRHPGY DATA SEQUENCE GDNVIVYGEM KHAQTIGYIK HARFGIAPYA SEQVPVYLAD SSMKLLQYDF DATA SEQUENCE FGLPAVCPNA VVGPYKSRFG YTPGNADSVI AAITQALEAP RVRYRQCLNW DATA SEQUENCE SDTTDRVLDP RAYPETRLYP HP 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 14 R HA 0.000 nan 4.340 nan 0.000 0.208 14 R C 0.000 176.238 176.300 -0.104 0.000 0.893 14 R CA 0.000 56.072 56.100 -0.046 0.000 0.921 14 R CB 0.000 30.280 30.300 -0.033 0.000 0.687 15 P HA 0.167 nan 4.420 nan 0.000 0.275 15 P C -0.601 176.360 177.300 -0.564 0.000 1.227 15 P CA -0.563 62.327 63.100 -0.351 0.000 0.781 15 P CB 0.691 32.156 31.700 -0.392 0.000 0.906 16 C N 4.370 123.335 119.300 -0.558 0.000 2.329 16 C HA 0.578 5.039 4.460 0.001 0.000 0.329 16 C C -0.998 173.621 174.990 -0.619 0.000 1.275 16 C CA -0.427 58.307 59.018 -0.474 0.000 1.726 16 C CB -1.242 26.336 27.740 -0.270 0.000 2.291 16 C HN 0.499 nan 8.230 nan 0.000 0.514 17 Y N 4.679 124.871 120.300 -0.180 0.000 2.429 17 Y HA 0.712 5.263 4.550 0.001 0.000 0.342 17 Y C -0.126 175.616 175.900 -0.262 0.000 1.004 17 Y CA -0.898 57.086 58.100 -0.193 0.000 1.075 17 Y CB 1.549 39.903 38.460 -0.177 0.000 1.214 17 Y HN 0.657 nan 8.280 nan 0.000 0.455 18 L N 3.138 124.297 121.223 -0.108 0.000 2.381 18 L HA 0.776 5.116 4.340 0.001 0.000 0.274 18 L C -1.635 175.072 176.870 -0.271 0.000 0.988 18 L CA -0.735 53.977 54.840 -0.213 0.000 0.824 18 L CB 1.634 43.569 42.059 -0.206 0.000 1.263 18 L HN 0.415 nan 8.230 nan 0.000 0.410 19 V N 6.017 125.724 119.914 -0.345 0.000 2.398 19 V HA 0.487 4.608 4.120 0.001 0.000 0.286 19 V C -0.398 175.355 176.094 -0.569 0.000 1.026 19 V CA -0.498 61.481 62.300 -0.536 0.000 0.868 19 V CB 1.461 32.836 31.823 -0.746 0.000 0.982 19 V HN 0.562 nan 8.190 nan 0.000 0.443 20 L N 4.491 125.447 121.223 -0.445 0.000 2.296 20 L HA 0.785 5.125 4.340 0.001 0.000 0.286 20 L C 0.052 176.847 176.870 -0.125 0.000 1.023 20 L CA 0.736 55.457 54.840 -0.200 0.000 0.812 20 L CB 1.658 43.663 42.059 -0.089 0.000 1.223 20 L HN 0.808 nan 8.230 nan 0.000 0.421 21 S N 0.901 116.594 115.700 -0.012 0.000 2.587 21 S HA 0.366 4.837 4.470 0.001 0.000 0.269 21 S C 0.411 175.150 174.600 0.232 0.000 1.154 21 S CA -0.269 57.994 58.200 0.104 0.000 0.824 21 S CB 1.680 64.914 63.200 0.057 0.000 1.118 21 S HN 0.413 nan 8.310 nan 0.000 0.462 22 S N 0.609 116.423 115.700 0.190 0.000 2.470 22 S HA 0.159 4.629 4.470 0.001 0.000 0.225 22 S C 0.597 175.242 174.600 0.074 0.000 1.006 22 S CA 0.214 58.482 58.200 0.113 0.000 0.934 22 S CB -0.400 62.810 63.200 0.017 0.000 0.778 22 S HN 0.680 nan 8.310 nan 0.000 0.517 23 H N 1.880 121.096 119.070 0.243 0.000 2.836 23 H HA 0.100 4.656 4.556 0.001 0.000 0.368 23 H C -0.057 175.444 175.328 0.288 0.000 1.164 23 H CA 0.580 56.779 56.048 0.253 0.000 1.425 23 H CB 0.271 30.200 29.762 0.278 0.000 1.414 23 H HN 0.307 nan 8.280 nan 0.000 0.614 24 D N 0.862 121.414 120.400 0.254 0.000 2.185 24 D HA -0.032 4.609 4.640 0.001 0.000 0.247 24 D C 0.649 176.827 176.300 -0.204 0.000 1.027 24 D CA -0.587 53.456 54.000 0.071 0.000 0.861 24 D CB 1.186 42.005 40.800 0.032 0.000 1.202 24 D HN 0.292 nan 8.370 nan 0.000 0.453 25 F N 3.552 122.962 119.950 -0.899 0.000 2.250 25 F HA -0.088 4.440 4.527 0.001 0.000 0.301 25 F C 2.044 177.679 175.800 -0.275 0.000 1.077 25 F CA 1.308 58.783 58.000 -0.875 0.000 1.348 25 F CB 0.169 38.620 39.000 -0.914 0.000 1.040 25 F HN 0.390 nan 8.300 nan 0.000 0.509 26 R N -0.775 119.522 120.500 -0.339 0.000 2.275 26 R HA 0.037 4.377 4.340 0.001 0.000 0.199 26 R C 0.550 176.602 176.300 -0.413 0.000 0.989 26 R CA 0.631 56.389 56.100 -0.570 0.000 1.016 26 R CB -0.530 29.465 30.300 -0.509 0.000 0.918 26 R HN 0.070 nan 8.270 nan 0.000 0.473 27 T N 3.576 117.978 114.554 -0.253 0.000 2.867 27 T HA 0.092 4.442 4.350 0.001 0.000 0.297 27 T C -2.252 172.265 174.700 -0.305 0.000 0.989 27 T CA -0.931 61.050 62.100 -0.199 0.000 1.159 27 T CB 0.918 69.748 68.868 -0.063 0.000 0.928 27 T HN -0.040 nan 8.240 nan 0.000 0.538 28 P HA 0.189 nan 4.420 nan 0.000 0.269 28 P C -0.327 176.823 177.300 -0.250 0.000 1.215 28 P CA -0.354 62.605 63.100 -0.236 0.000 0.780 28 P CB 0.272 31.882 31.700 -0.150 0.000 0.898 29 R N 0.235 120.582 120.500 -0.256 0.000 2.598 29 R HA -0.146 4.194 4.340 0.001 0.000 0.323 29 R C -1.175 174.866 176.300 -0.432 0.000 0.993 29 R CA 0.099 56.061 56.100 -0.231 0.000 0.724 29 R CB -2.258 27.970 30.300 -0.120 0.000 2.060 29 R HN 0.432 nan 8.270 nan 0.000 0.470 30 R N 1.485 121.626 120.500 -0.598 0.000 2.623 30 R HA 0.391 4.731 4.340 0.001 0.000 0.271 30 R C 0.877 176.879 176.300 -0.496 0.000 1.043 30 R CA 0.606 56.107 56.100 -0.999 0.000 1.083 30 R CB 0.758 30.328 30.300 -1.216 0.000 0.974 30 R HN 0.649 nan 8.270 nan 0.000 0.436 31 A N 1.800 124.375 122.820 -0.408 0.000 2.298 31 A HA 0.101 4.422 4.320 0.001 0.000 0.302 31 A C 1.258 178.908 177.584 0.110 0.000 1.177 31 A CA -0.401 51.604 52.037 -0.055 0.000 0.912 31 A CB 0.264 19.136 19.000 -0.213 0.000 1.331 31 A HN 0.976 nan 8.150 nan 0.000 0.504 32 N N -0.574 118.189 118.700 0.105 0.000 2.094 32 N HA -0.220 4.520 4.740 0.001 0.000 0.191 32 N C 1.418 176.952 175.510 0.040 0.000 1.023 32 N CA 2.215 55.344 53.050 0.131 0.000 0.857 32 N CB -0.318 38.266 38.487 0.163 0.000 1.013 32 N HN 0.484 nan 8.380 nan 0.000 0.426 33 I N 1.559 122.158 120.570 0.048 0.000 2.394 33 I HA -0.188 3.982 4.170 0.001 0.000 0.251 33 I C 1.806 177.915 176.117 -0.014 0.000 1.136 33 I CA 1.312 62.628 61.300 0.026 0.000 1.425 33 I CB -0.462 37.576 38.000 0.063 0.000 1.079 33 I HN 0.155 nan 8.210 nan 0.000 0.425 34 H N -0.853 118.144 119.070 -0.121 0.000 2.353 34 H HA -0.118 4.438 4.556 0.001 0.000 0.300 34 H C 1.924 177.034 175.328 -0.364 0.000 1.090 34 H CA 2.336 58.267 56.048 -0.194 0.000 1.327 34 H CB -0.610 28.805 29.762 -0.579 0.000 1.383 34 H HN 0.277 nan 8.280 nan 0.000 0.508 35 F N 0.177 119.875 119.950 -0.419 0.000 2.134 35 F HA -0.128 4.400 4.527 0.001 0.000 0.299 35 F C 2.340 177.713 175.800 -0.712 0.000 1.097 35 F CA 1.004 58.462 58.000 -0.904 0.000 1.264 35 F CB -0.565 37.174 39.000 -2.101 0.000 1.001 35 F HN 0.104 nan 8.300 nan 0.000 0.479 36 I N -0.653 119.707 120.570 -0.350 0.000 2.226 36 I HA -0.293 3.877 4.170 0.001 0.000 0.245 36 I C 2.245 178.292 176.117 -0.117 0.000 1.100 36 I CA 1.627 62.862 61.300 -0.109 0.000 1.374 36 I CB -0.796 37.202 38.000 -0.003 0.000 1.057 36 I HN 0.109 nan 8.210 nan 0.000 0.413 37 T N -0.082 114.421 114.554 -0.086 0.000 2.833 37 T HA -0.163 4.187 4.350 0.001 0.000 0.269 37 T C 1.480 176.088 174.700 -0.154 0.000 1.054 37 T CA 1.290 63.318 62.100 -0.120 0.000 1.135 37 T CB -0.302 68.551 68.868 -0.024 0.000 0.869 37 T HN 0.296 nan 8.240 nan 0.000 0.466 38 D N 1.144 121.520 120.400 -0.041 0.000 2.123 38 D HA -0.095 4.545 4.640 0.001 0.000 0.196 38 D C 2.435 178.700 176.300 -0.059 0.000 0.992 38 D CA 0.970 54.958 54.000 -0.020 0.000 0.833 38 D CB -0.162 40.621 40.800 -0.029 0.000 0.954 38 D HN 0.307 nan 8.370 nan 0.000 0.455 39 Q N 0.098 119.858 119.800 -0.068 0.000 2.119 39 Q HA -0.023 4.317 4.340 0.001 0.000 0.201 39 Q C 2.674 178.580 176.000 -0.157 0.000 0.972 39 Q CA 0.396 56.160 55.803 -0.064 0.000 0.847 39 Q CB -0.361 28.372 28.738 -0.007 0.000 0.903 39 Q HN 0.404 nan 8.270 nan 0.000 0.433 40 L N 0.155 121.216 121.223 -0.270 0.000 2.046 40 L HA -0.146 4.194 4.340 0.001 0.000 0.208 40 L C 2.392 179.117 176.870 -0.242 0.000 1.077 40 L CA 1.131 55.676 54.840 -0.492 0.000 0.747 40 L CB -0.717 40.952 42.059 -0.651 0.000 0.896 40 L HN 0.111 nan 8.230 nan 0.000 0.432 41 A N -0.101 122.614 122.820 -0.175 0.000 2.070 41 A HA -0.127 4.193 4.320 0.001 0.000 0.220 41 A C 2.210 179.760 177.584 -0.057 0.000 1.159 41 A CA 1.261 53.230 52.037 -0.113 0.000 0.656 41 A CB -0.554 18.361 19.000 -0.142 0.000 0.800 41 A HN 0.405 nan 8.150 nan 0.000 0.453 42 L N -1.641 119.551 121.223 -0.053 0.000 2.313 42 L HA -0.022 4.319 4.340 0.001 0.000 0.214 42 L C 2.509 179.378 176.870 -0.001 0.000 1.119 42 L CA 0.714 55.539 54.840 -0.025 0.000 0.809 42 L CB -0.171 41.874 42.059 -0.023 0.000 0.933 42 L HN 0.341 nan 8.230 nan 0.000 0.449 43 R N -0.617 119.894 120.500 0.017 0.000 2.282 43 R HA 0.311 4.651 4.340 0.001 0.000 0.195 43 R C 0.576 176.969 176.300 0.155 0.000 0.909 43 R CA 0.434 56.588 56.100 0.090 0.000 1.039 43 R CB 0.732 31.105 30.300 0.122 0.000 1.015 43 R HN 0.283 nan 8.270 nan 0.000 0.513 44 G N -0.422 108.471 108.800 0.155 0.000 2.356 44 G HA2 0.045 4.006 3.960 0.001 0.000 0.294 44 G HA3 0.045 4.006 3.960 0.001 0.000 0.294 44 G C -1.101 173.835 174.900 0.061 0.000 1.423 44 G CA -0.899 44.263 45.100 0.105 0.000 0.806 44 G HN -0.134 nan 8.290 nan 0.000 0.527 45 T N 1.832 116.369 114.554 -0.029 0.000 2.822 45 T HA 0.405 4.755 4.350 0.001 0.000 0.288 45 T C 0.124 174.773 174.700 -0.085 0.000 0.991 45 T CA 0.873 62.923 62.100 -0.084 0.000 1.176 45 T CB 0.074 68.867 68.868 -0.125 0.000 0.951 45 T HN 0.560 nan 8.240 nan 0.000 0.526 46 T N 5.557 120.034 114.554 -0.129 0.000 2.809 46 T HA 0.545 4.895 4.350 0.001 0.000 0.284 46 T C 0.028 174.534 174.700 -0.323 0.000 0.992 46 T CA -0.922 61.084 62.100 -0.157 0.000 0.957 46 T CB 1.176 69.952 68.868 -0.152 0.000 0.942 46 T HN 0.276 nan 8.240 nan 0.000 0.439 47 R N 1.738 121.990 120.500 -0.413 0.000 2.664 47 R HA 0.758 5.099 4.340 0.001 0.000 0.286 47 R C -1.479 174.663 176.300 -0.263 0.000 0.967 47 R CA -0.884 54.833 56.100 -0.638 0.000 0.933 47 R CB 1.322 30.811 30.300 -1.351 0.000 1.146 47 R HN 0.673 nan 8.270 nan 0.000 0.468 48 F N 2.662 122.477 119.950 -0.226 0.000 2.617 48 F HA 0.457 4.984 4.527 0.001 0.000 0.325 48 F C -1.692 174.262 175.800 0.257 0.000 1.179 48 F CA -0.888 57.107 58.000 -0.008 0.000 0.965 48 F CB 1.026 39.951 39.000 -0.126 0.000 1.232 48 F HN 0.495 nan 8.300 nan 0.000 0.461 49 F N 5.815 125.943 119.950 0.297 0.000 2.500 49 F HA 0.469 4.996 4.527 0.001 0.000 0.349 49 F C -0.789 175.191 175.800 0.300 0.000 1.127 49 F CA -0.420 57.797 58.000 0.362 0.000 0.998 49 F CB 1.227 40.337 39.000 0.184 0.000 1.237 49 F HN 0.290 nan 8.300 nan 0.000 0.439 50 S N 6.857 122.652 115.700 0.157 0.000 2.475 50 S HA 0.672 5.143 4.470 0.001 0.000 0.281 50 S C -0.510 174.213 174.600 0.206 0.000 1.198 50 S CA -0.454 57.897 58.200 0.251 0.000 1.063 50 S CB 0.335 63.672 63.200 0.229 0.000 0.972 50 S HN 0.675 nan 8.310 nan 0.000 0.486 51 L N 4.317 125.727 121.223 0.311 0.000 2.331 51 L HA 0.711 5.052 4.340 0.001 0.000 0.268 51 L C 0.594 177.604 176.870 0.233 0.000 1.015 51 L CA -1.046 54.038 54.840 0.406 0.000 0.807 51 L CB 1.240 43.586 42.059 0.478 0.000 1.293 51 L HN 0.867 nan 8.230 nan 0.000 0.451 62 D N 2.958 123.335 120.400 -0.037 0.000 2.168 62 D HA 0.311 4.951 4.640 0.001 0.000 0.246 62 D C 1.388 177.667 176.300 -0.035 0.000 1.050 62 D CA -0.806 53.168 54.000 -0.042 0.000 0.857 62 D CB 1.567 42.332 40.800 -0.059 0.000 1.169 62 D HN 0.112 nan 8.370 nan 0.000 0.453 63 M N 2.632 122.215 119.600 -0.028 0.000 2.337 63 M HA -0.120 4.361 4.480 0.001 0.000 0.261 63 M C 1.662 177.942 176.300 -0.033 0.000 1.067 63 M CA 1.324 56.609 55.300 -0.024 0.000 1.074 63 M CB -0.709 31.886 32.600 -0.008 0.000 1.395 63 M HN 0.377 nan 8.290 nan 0.000 0.431 64 R N -0.822 119.656 120.500 -0.036 0.000 2.310 64 R HA 0.150 4.490 4.340 0.001 0.000 0.202 64 R C 1.947 178.216 176.300 -0.051 0.000 0.933 64 R CA -0.018 56.057 56.100 -0.043 0.000 1.054 64 R CB -0.180 30.098 30.300 -0.036 0.000 0.985 64 R HN 0.332 nan 8.270 nan 0.000 0.489 65 L N 1.018 122.213 121.223 -0.048 0.000 2.043 65 L HA -0.170 4.171 4.340 0.001 0.000 0.212 65 L C -0.679 176.162 176.870 -0.049 0.000 1.075 65 L CA 1.556 56.368 54.840 -0.047 0.000 0.752 65 L CB -1.302 40.733 42.059 -0.040 0.000 0.891 65 L HN 0.072 nan 8.230 nan 0.000 0.432 66 P HA -0.159 nan 4.420 nan 0.000 0.224 66 P C 1.361 178.624 177.300 -0.061 0.000 1.142 66 P CA 1.304 64.372 63.100 -0.054 0.000 0.778 66 P CB 0.034 31.698 31.700 -0.059 0.000 0.764 67 L N -2.099 119.084 121.223 -0.067 0.000 2.640 67 L HA 0.108 4.449 4.340 0.001 0.000 0.230 67 L C 1.797 178.624 176.870 -0.072 0.000 1.123 67 L CA 0.141 54.937 54.840 -0.074 0.000 0.900 67 L CB -0.473 41.536 42.059 -0.084 0.000 1.146 67 L HN -0.107 nan 8.230 nan 0.000 0.484 68 D N 1.081 121.444 120.400 -0.062 0.000 2.133 68 D HA -0.244 4.396 4.640 0.001 0.000 0.195 68 D C 1.481 177.745 176.300 -0.060 0.000 0.997 68 D CA 1.425 55.389 54.000 -0.061 0.000 0.840 68 D CB 0.225 40.995 40.800 -0.049 0.000 0.947 68 D HN 0.186 nan 8.370 nan 0.000 0.452 69 D N -1.196 119.173 120.400 -0.052 0.000 2.378 69 D HA -0.078 4.562 4.640 0.001 0.000 0.222 69 D C 1.729 177.996 176.300 -0.055 0.000 0.980 69 D CA 1.170 55.142 54.000 -0.046 0.000 0.907 69 D CB -0.158 40.621 40.800 -0.036 0.000 0.899 69 D HN 0.434 nan 8.370 nan 0.000 0.527 70 T N -2.797 111.714 114.554 -0.072 0.000 3.023 70 T HA 0.385 4.735 4.350 0.001 0.000 0.253 70 T C 0.973 175.587 174.700 -0.143 0.000 1.038 70 T CA -0.058 61.990 62.100 -0.087 0.000 0.962 70 T CB 0.233 69.055 68.868 -0.077 0.000 1.018 70 T HN 0.041 nan 8.240 nan 0.000 0.521 71 A N 2.460 125.194 122.820 -0.144 0.000 2.609 71 A HA 0.246 4.567 4.320 0.001 0.000 0.232 71 A C 0.962 178.381 177.584 -0.275 0.000 1.041 71 A CA 0.349 52.266 52.037 -0.199 0.000 0.753 71 A CB -0.585 18.344 19.000 -0.117 0.000 0.966 71 A HN 0.634 nan 8.150 nan 0.000 0.510 72 N N -1.125 117.264 118.700 -0.517 0.000 2.741 72 N HA -0.168 4.572 4.740 0.001 0.000 0.250 72 N C 0.124 175.356 175.510 -0.464 0.000 1.115 72 N CA 1.809 54.522 53.050 -0.561 0.000 0.724 72 N CB -1.976 36.480 38.487 -0.052 0.000 1.090 72 N HN 1.463 nan 8.380 nan 0.000 0.558 73 T N -4.295 109.925 114.554 -0.558 0.000 2.900 73 T HA 0.605 4.956 4.350 0.001 0.000 0.303 73 T C -0.243 174.419 174.700 -0.064 0.000 1.142 73 T CA -0.765 61.239 62.100 -0.160 0.000 1.007 73 T CB 2.514 71.341 68.868 -0.069 0.000 1.156 73 T HN -0.116 nan 8.240 nan 0.000 0.490 74 V N 2.379 122.394 119.914 0.168 0.000 2.488 74 V HA 0.520 4.641 4.120 0.001 0.000 0.277 74 V C -0.054 176.152 176.094 0.188 0.000 1.046 74 V CA -0.356 62.117 62.300 0.288 0.000 0.986 74 V CB 0.933 32.973 31.823 0.362 0.000 0.989 74 V HN 0.825 nan 8.190 nan 0.000 0.475 75 V N 3.918 123.949 119.914 0.195 0.000 2.656 75 V HA 0.441 4.561 4.120 0.001 0.000 0.307 75 V C 0.082 176.282 176.094 0.176 0.000 1.051 75 V CA -0.467 61.917 62.300 0.139 0.000 0.893 75 V CB 2.241 34.112 31.823 0.080 0.000 0.999 75 V HN 0.849 nan 8.190 nan 0.000 0.426 76 S N 2.944 118.734 115.700 0.149 0.000 2.475 76 S HA 0.558 5.029 4.470 0.001 0.000 0.281 76 S C -0.859 173.863 174.600 0.202 0.000 1.198 76 S CA -0.187 58.100 58.200 0.146 0.000 1.063 76 S CB 0.048 63.305 63.200 0.095 0.000 0.972 76 S HN 0.899 nan 8.310 nan 0.000 0.486 77 H N 4.256 123.389 119.070 0.106 0.000 3.108 77 H HA 0.373 4.929 4.556 0.001 0.000 0.329 77 H C -0.376 175.082 175.328 0.216 0.000 0.978 77 H CA -0.232 55.899 56.048 0.139 0.000 1.413 77 H CB 0.101 29.962 29.762 0.165 0.000 1.670 77 H HN 0.774 nan 8.280 nan 0.000 0.512 78 N N 4.019 122.550 118.700 -0.281 0.000 2.714 78 N HA -0.181 4.560 4.740 0.001 0.000 0.252 78 N C 1.047 176.544 175.510 -0.022 0.000 1.014 78 N CA 1.734 54.685 53.050 -0.165 0.000 0.735 78 N CB -1.311 37.049 38.487 -0.212 0.000 0.924 78 N HN 1.207 nan 8.380 nan 0.000 0.540 79 G N -3.045 105.738 108.800 -0.029 0.000 2.162 79 G HA2 -0.304 3.657 3.960 0.001 0.000 0.260 79 G HA3 -0.304 3.657 3.960 0.001 0.000 0.260 79 G C -0.012 174.836 174.900 -0.087 0.000 0.976 79 G CA 0.438 45.511 45.100 -0.044 0.000 0.655 79 G HN 0.549 nan 8.290 nan 0.000 0.533 80 V N 0.923 120.779 119.914 -0.095 0.000 2.555 80 V HA 0.492 4.612 4.120 0.001 0.000 0.302 80 V C -0.576 175.472 176.094 -0.075 0.000 1.038 80 V CA -1.118 61.047 62.300 -0.224 0.000 0.887 80 V CB 1.943 33.361 31.823 -0.675 0.000 0.991 80 V HN 0.196 nan 8.190 nan 0.000 0.434 81 D N 2.843 123.168 120.400 -0.125 0.000 2.316 81 D HA 0.344 4.984 4.640 0.001 0.000 0.245 81 D C -0.461 175.909 176.300 0.116 0.000 1.171 81 D CA 0.059 54.060 54.000 0.001 0.000 0.856 81 D CB 1.221 41.940 40.800 -0.136 0.000 1.090 81 D HN 0.507 nan 8.370 nan 0.000 0.476 82 C N 2.893 122.381 119.300 0.313 0.000 2.376 82 C HA 0.534 4.994 4.460 0.001 0.000 0.335 82 C C -0.289 175.003 174.990 0.504 0.000 1.229 82 C CA -0.878 58.370 59.018 0.382 0.000 1.867 82 C CB 0.051 27.939 27.740 0.247 0.000 2.319 82 C HN 0.596 nan 8.230 nan 0.000 0.515 83 Y N 2.183 122.656 120.300 0.288 0.000 2.361 83 Y HA 0.579 5.129 4.550 0.001 0.000 0.328 83 Y C -0.988 174.816 175.900 -0.161 0.000 1.044 83 Y CA -0.832 57.276 58.100 0.012 0.000 1.085 83 Y CB 0.919 39.274 38.460 -0.176 0.000 1.194 83 Y HN 0.635 nan 8.280 nan 0.000 0.438 84 L N 7.600 128.659 121.223 -0.272 0.000 2.270 84 L HA 0.351 4.692 4.340 0.001 0.000 0.286 84 L C -1.192 175.514 176.870 -0.274 0.000 1.059 84 L CA -0.523 54.200 54.840 -0.195 0.000 0.839 84 L CB -0.056 41.923 42.059 -0.133 0.000 1.221 84 L HN 0.698 nan 8.230 nan 0.000 0.431 85 W N 6.723 127.815 121.300 -0.348 0.000 2.303 85 W HA 0.323 4.983 4.660 0.001 0.000 0.318 85 W C -0.188 176.305 176.519 -0.043 0.000 1.362 85 W CA -0.549 56.718 57.345 -0.130 0.000 1.234 85 W CB 0.260 29.714 29.460 -0.011 0.000 1.248 85 W HN 0.562 nan 8.180 nan 0.000 0.546 86 R N 5.247 125.756 120.500 0.014 0.000 2.388 86 R HA 0.342 4.682 4.340 0.001 0.000 0.314 86 R C -0.079 176.124 176.300 -0.162 0.000 0.959 86 R CA -0.193 55.830 56.100 -0.128 0.000 0.851 86 R CB 0.916 31.178 30.300 -0.063 0.000 1.168 86 R HN 0.577 nan 8.270 nan 0.000 0.472 87 T N -0.179 114.202 114.554 -0.289 0.000 2.910 87 T HA 0.248 4.599 4.350 0.001 0.000 0.279 87 T C 1.169 175.843 174.700 -0.045 0.000 0.989 87 T CA -0.584 61.431 62.100 -0.142 0.000 0.968 87 T CB 1.537 70.297 68.868 -0.180 0.000 1.135 87 T HN 0.393 nan 8.240 nan 0.000 0.562 88 T N 0.425 114.981 114.554 0.003 0.000 2.732 88 T HA 0.127 4.478 4.350 0.001 0.000 0.261 88 T C 1.043 175.727 174.700 -0.027 0.000 1.040 88 T CA 1.182 63.279 62.100 -0.006 0.000 1.145 88 T CB -0.400 68.471 68.868 0.005 0.000 0.866 88 T HN 0.843 nan 8.240 nan 0.000 0.427 89 V N 0.794 120.686 119.914 -0.036 0.000 2.864 89 V HA 0.797 4.918 4.120 0.001 0.000 0.314 89 V C -0.933 175.098 176.094 -0.105 0.000 1.073 89 V CA -1.467 60.772 62.300 -0.101 0.000 0.956 89 V CB 1.602 33.349 31.823 -0.128 0.000 1.023 89 V HN 0.649 nan 8.190 nan 0.000 0.435 90 H N 1.359 120.315 119.070 -0.190 0.000 2.670 90 H HA 0.874 5.430 4.556 0.001 0.000 0.361 90 H C -2.872 172.237 175.328 -0.366 0.000 1.169 90 H CA -2.631 53.160 56.048 -0.428 0.000 1.198 90 H CB 1.654 31.151 29.762 -0.441 0.000 1.700 90 H HN 0.601 nan 8.280 nan 0.000 0.542 91 P HA 0.154 nan 4.420 nan 0.000 0.275 91 P C -1.103 175.842 177.300 -0.592 0.000 1.228 91 P CA -0.077 62.405 63.100 -1.030 0.000 0.786 91 P CB 0.576 31.082 31.700 -1.990 0.000 0.927 92 F N -1.170 118.501 119.950 -0.466 0.000 2.713 92 F HA 0.481 5.008 4.527 0.001 0.000 0.311 92 F C -0.795 175.109 175.800 0.173 0.000 1.141 92 F CA -1.491 56.521 58.000 0.020 0.000 0.939 92 F CB 0.670 39.653 39.000 -0.029 0.000 1.325 92 F HN 0.041 nan 8.300 nan 0.000 0.453 93 N N 1.318 120.216 118.700 0.330 0.000 2.405 93 N HA 0.135 4.876 4.740 0.001 0.000 0.260 93 N C 1.032 176.634 175.510 0.153 0.000 1.152 93 N CA 0.643 53.795 53.050 0.171 0.000 0.948 93 N CB 1.277 39.870 38.487 0.177 0.000 1.111 93 N HN 0.882 nan 8.380 nan 0.000 0.485 94 T N 1.249 115.752 114.554 -0.086 0.000 2.867 94 T HA -0.069 4.281 4.350 0.001 0.000 0.268 94 T C 0.698 175.415 174.700 0.028 0.000 1.057 94 T CA 0.629 62.704 62.100 -0.043 0.000 1.136 94 T CB -0.102 68.616 68.868 -0.251 0.000 0.874 94 T HN 0.723 nan 8.240 nan 0.000 0.466 95 R N 0.037 120.542 120.500 0.009 0.000 3.762 95 R HA -0.088 4.253 4.340 0.001 0.000 0.328 95 R C -0.835 175.477 176.300 0.020 0.000 1.164 95 R CA 0.400 56.521 56.100 0.035 0.000 0.861 95 R CB -1.754 28.588 30.300 0.071 0.000 1.408 95 R HN 0.492 nan 8.270 nan 0.000 0.502 96 R N -0.217 120.251 120.500 -0.052 0.000 2.467 96 R HA 0.140 4.480 4.340 0.001 0.000 0.299 96 R C 1.253 177.468 176.300 -0.141 0.000 1.120 96 R CA 0.348 56.404 56.100 -0.074 0.000 0.940 96 R CB 1.266 31.438 30.300 -0.213 0.000 1.161 96 R HN 0.225 nan 8.270 nan 0.000 0.506 97 S N 2.887 118.603 115.700 0.028 0.000 2.392 97 S HA -0.212 4.259 4.470 0.001 0.000 0.232 97 S C 1.574 176.210 174.600 0.060 0.000 1.041 97 S CA 1.381 59.611 58.200 0.050 0.000 1.026 97 S CB -0.318 62.946 63.200 0.107 0.000 0.845 97 S HN 0.865 nan 8.310 nan 0.000 0.465 98 W N 1.258 122.564 121.300 0.009 0.000 2.584 98 W HA 0.290 4.950 4.660 0.001 0.000 0.264 98 W C 1.242 177.760 176.519 -0.001 0.000 1.264 98 W CA -0.163 57.185 57.345 0.005 0.000 1.306 98 W CB -0.725 28.738 29.460 0.005 0.000 1.110 98 W HN 0.265 nan 8.180 nan 0.000 0.606 99 L N 1.264 121.939 121.223 -0.914 0.000 2.599 99 L HA 0.074 4.414 4.340 0.001 0.000 0.230 99 L C 2.868 179.517 176.870 -0.367 0.000 1.141 99 L CA 0.290 54.631 54.840 -0.832 0.000 0.877 99 L CB -0.538 40.930 42.059 -0.985 0.000 1.009 99 L HN -0.052 nan 8.230 nan 0.000 0.447 100 R N 0.824 121.200 120.500 -0.207 0.000 2.127 100 R HA -0.151 4.190 4.340 0.001 0.000 0.238 100 R C -0.611 175.663 176.300 -0.043 0.000 1.134 100 R CA 1.303 57.347 56.100 -0.093 0.000 0.975 100 R CB -0.673 29.608 30.300 -0.032 0.000 0.865 100 R HN 0.300 nan 8.270 nan 0.000 0.447 101 P HA -0.042 nan 4.420 nan 0.000 0.222 101 P C 1.249 178.531 177.300 -0.031 0.000 1.153 101 P CA 0.691 63.788 63.100 -0.004 0.000 0.798 101 P CB 0.134 31.842 31.700 0.014 0.000 0.796 102 V N 0.320 120.175 119.914 -0.099 0.000 2.307 102 V HA -0.226 3.894 4.120 0.001 0.000 0.245 102 V C 2.314 178.316 176.094 -0.153 0.000 1.045 102 V CA 1.748 63.963 62.300 -0.142 0.000 1.024 102 V CB -1.124 30.574 31.823 -0.209 0.000 0.651 102 V HN 0.140 nan 8.190 nan 0.000 0.449 103 E N 0.202 120.306 120.200 -0.159 0.000 2.048 103 E HA -0.299 4.052 4.350 0.001 0.000 0.202 103 E C 2.016 178.683 176.600 0.111 0.000 1.021 103 E CA 1.856 58.215 56.400 -0.068 0.000 0.825 103 E CB -0.290 29.411 29.700 0.002 0.000 0.756 103 E HN 0.586 nan 8.360 nan 0.000 0.454 104 D N 0.106 120.576 120.400 0.117 0.000 2.123 104 D HA -0.165 4.476 4.640 0.001 0.000 0.196 104 D C 1.836 178.191 176.300 0.092 0.000 0.992 104 D CA 1.366 55.476 54.000 0.182 0.000 0.833 104 D CB -0.369 40.562 40.800 0.217 0.000 0.954 104 D HN 0.210 nan 8.370 nan 0.000 0.455 105 A N 0.514 123.366 122.820 0.053 0.000 1.902 105 A HA -0.170 4.151 4.320 0.001 0.000 0.217 105 A C 2.291 179.899 177.584 0.039 0.000 1.181 105 A CA 1.434 53.502 52.037 0.051 0.000 0.623 105 A CB -0.549 18.446 19.000 -0.008 0.000 0.818 105 A HN 0.157 nan 8.150 nan 0.000 0.443 106 M N -2.025 117.528 119.600 -0.078 0.000 2.132 106 M HA -0.075 4.405 4.480 0.001 0.000 0.263 106 M C 1.970 178.183 176.300 -0.145 0.000 1.065 106 M CA 1.506 56.712 55.300 -0.156 0.000 1.122 106 M CB -0.376 32.005 32.600 -0.366 0.000 1.365 106 M HN 0.475 nan 8.290 nan 0.000 0.411 107 F N -0.022 119.776 119.950 -0.252 0.000 2.146 107 F HA -0.141 4.386 4.527 0.001 0.000 0.298 107 F C 2.533 178.124 175.800 -0.348 0.000 1.096 107 F CA 1.383 59.112 58.000 -0.451 0.000 1.275 107 F CB -0.440 37.848 39.000 -1.186 0.000 1.008 107 F HN 0.010 nan 8.300 nan 0.000 0.480 108 R N -1.422 119.024 120.500 -0.090 0.000 2.096 108 R HA -0.225 4.116 4.340 0.001 0.000 0.235 108 R C 2.072 178.512 176.300 0.234 0.000 1.127 108 R CA 1.706 57.878 56.100 0.120 0.000 0.968 108 R CB -0.710 29.712 30.300 0.202 0.000 0.861 108 R HN 0.320 nan 8.270 nan 0.000 0.440 109 W N -0.022 121.348 121.300 0.116 0.000 2.379 109 W HA -0.209 4.452 4.660 0.001 0.000 0.307 109 W C 2.101 178.865 176.519 0.409 0.000 1.200 109 W CA 1.268 58.763 57.345 0.250 0.000 1.297 109 W CB -0.681 28.860 29.460 0.136 0.000 1.140 109 W HN 0.053 nan 8.180 nan 0.000 0.507 110 Y N 0.629 121.143 120.300 0.357 0.000 2.128 110 Y HA -0.267 4.283 4.550 0.001 0.000 0.284 110 Y C 2.354 178.497 175.900 0.405 0.000 1.154 110 Y CA 2.501 60.821 58.100 0.368 0.000 1.149 110 Y CB -1.081 37.513 38.460 0.223 0.000 0.976 110 Y HN -0.062 nan 8.280 nan 0.000 0.505 111 A N -0.359 122.577 122.820 0.194 0.000 1.972 111 A HA -0.003 4.317 4.320 0.001 0.000 0.219 111 A C 2.258 179.816 177.584 -0.044 0.000 1.169 111 A CA 1.597 53.543 52.037 -0.152 0.000 0.635 111 A CB -1.175 17.727 19.000 -0.162 0.000 0.810 111 A HN 0.509 nan 8.150 nan 0.000 0.446 112 A N -1.631 121.169 122.820 -0.034 0.000 2.218 112 A HA 0.199 4.519 4.320 0.001 0.000 0.209 112 A C 0.717 178.002 177.584 -0.499 0.000 1.168 112 A CA 0.499 52.378 52.037 -0.263 0.000 0.804 112 A CB -0.354 18.422 19.000 -0.374 0.000 0.834 112 A HN 0.581 nan 8.150 nan 0.000 0.482 113 H N 0.136 119.165 119.070 -0.068 0.000 2.500 113 H HA 0.255 4.811 4.556 0.001 0.000 0.243 113 H C -2.666 172.700 175.328 0.063 0.000 1.318 113 H CA -1.805 54.215 56.048 -0.047 0.000 1.077 113 H CB 0.056 29.755 29.762 -0.105 0.000 1.748 113 H HN 0.306 nan 8.280 nan 0.000 0.556 114 P HA 0.072 nan 4.420 nan 0.000 0.269 114 P C -2.538 174.539 177.300 -0.373 0.000 1.209 114 P CA -1.237 61.677 63.100 -0.310 0.000 0.776 114 P CB 1.048 32.601 31.700 -0.245 0.000 0.876 115 P HA 0.125 nan 4.420 nan 0.000 0.274 115 P C 0.973 178.038 177.300 -0.393 0.000 1.231 115 P CA -0.378 62.471 63.100 -0.419 0.000 0.790 115 P CB 1.056 32.445 31.700 -0.518 0.000 0.951 116 K N 1.274 121.520 120.400 -0.256 0.000 2.089 116 K HA -0.296 4.025 4.320 0.001 0.000 0.210 116 K C 1.931 178.311 176.600 -0.368 0.000 1.048 116 K CA 1.925 58.062 56.287 -0.250 0.000 0.926 116 K CB -0.182 32.220 32.500 -0.163 0.000 0.714 116 K HN 0.269 nan 8.250 nan 0.000 0.448 117 Q N 0.879 120.385 119.800 -0.492 0.000 2.096 117 Q HA -0.175 4.166 4.340 0.001 0.000 0.204 117 Q C 1.934 177.416 176.000 -0.863 0.000 0.982 117 Q CA 1.523 56.859 55.803 -0.779 0.000 0.850 117 Q CB -0.363 27.701 28.738 -1.122 0.000 0.901 117 Q HN 0.372 nan 8.270 nan 0.000 0.422 118 L N -0.436 120.290 121.223 -0.828 0.000 2.017 118 L HA -0.122 4.218 4.340 0.001 0.000 0.208 118 L C 1.990 178.552 176.870 -0.512 0.000 1.073 118 L CA 1.715 55.993 54.840 -0.936 0.000 0.745 118 L CB -0.679 40.565 42.059 -1.357 0.000 0.894 118 L HN 0.368 nan 8.230 nan 0.000 0.432 119 L N -0.744 120.234 121.223 -0.409 0.000 2.042 119 L HA -0.235 4.105 4.340 0.001 0.000 0.210 119 L C 2.298 179.070 176.870 -0.163 0.000 1.076 119 L CA 1.441 56.138 54.840 -0.239 0.000 0.749 119 L CB -0.979 40.960 42.059 -0.201 0.000 0.893 119 L HN 0.289 nan 8.230 nan 0.000 0.432 120 D N -0.716 119.572 120.400 -0.187 0.000 2.097 120 D HA -0.192 4.448 4.640 0.001 0.000 0.195 120 D C 1.982 178.323 176.300 0.069 0.000 0.989 120 D CA 1.099 55.049 54.000 -0.083 0.000 0.827 120 D CB -0.232 40.489 40.800 -0.131 0.000 0.966 120 D HN 0.293 nan 8.370 nan 0.000 0.456 121 W N 1.094 122.282 121.300 -0.187 0.000 2.338 121 W HA -0.017 4.643 4.660 0.001 0.000 0.304 121 W C 2.486 178.902 176.519 -0.172 0.000 1.212 121 W CA 0.427 57.670 57.345 -0.169 0.000 1.264 121 W CB -1.098 28.252 29.460 -0.184 0.000 1.142 121 W HN 0.038 nan 8.180 nan 0.000 0.512 122 M N -0.564 119.051 119.600 0.025 0.000 2.082 122 M HA -0.262 4.218 4.480 0.001 0.000 0.258 122 M C 2.285 178.572 176.300 -0.022 0.000 1.069 122 M CA 1.999 57.279 55.300 -0.033 0.000 1.102 122 M CB -0.770 31.795 32.600 -0.057 0.000 1.336 122 M HN -0.099 nan 8.290 nan 0.000 0.404 123 R N 0.561 121.049 120.500 -0.019 0.000 2.105 123 R HA -0.181 4.159 4.340 0.001 0.000 0.239 123 R C 1.660 177.947 176.300 -0.022 0.000 1.135 123 R CA 1.776 57.864 56.100 -0.020 0.000 0.967 123 R CB -0.088 30.199 30.300 -0.022 0.000 0.861 123 R HN 0.462 nan 8.270 nan 0.000 0.442 124 E N -0.156 120.039 120.200 -0.009 0.000 2.358 124 E HA 0.010 4.360 4.350 0.001 0.000 0.195 124 E C -0.065 176.483 176.600 -0.086 0.000 1.010 124 E CA 0.142 56.523 56.400 -0.033 0.000 0.856 124 E CB 0.347 30.047 29.700 -0.000 0.000 0.795 124 E HN 0.164 nan 8.360 nan 0.000 0.504 125 S N 1.192 116.835 115.700 -0.094 0.000 2.565 125 S HA 0.035 4.506 4.470 0.001 0.000 0.276 125 S C 0.438 174.952 174.600 -0.143 0.000 1.326 125 S CA -0.488 57.624 58.200 -0.147 0.000 1.045 125 S CB 0.925 64.044 63.200 -0.134 0.000 0.918 125 S HN 0.144 nan 8.310 nan 0.000 0.505 126 D N 0.695 120.965 120.400 -0.215 0.000 2.277 126 D HA 0.086 4.726 4.640 0.001 0.000 0.209 126 D C -0.001 176.214 176.300 -0.142 0.000 0.970 126 D CA 0.892 54.783 54.000 -0.182 0.000 0.874 126 D CB 0.397 41.052 40.800 -0.241 0.000 0.982 126 D HN 0.232 nan 8.370 nan 0.000 0.504 127 V N 1.786 121.593 119.914 -0.179 0.000 2.638 127 V HA 0.388 4.508 4.120 0.001 0.000 0.306 127 V C -0.352 175.720 176.094 -0.037 0.000 1.052 127 V CA -0.720 61.557 62.300 -0.039 0.000 0.885 127 V CB 2.652 34.533 31.823 0.097 0.000 0.999 127 V HN -0.102 nan 8.190 nan 0.000 0.424 128 I N 4.356 124.903 120.570 -0.037 0.000 2.389 128 I HA 0.517 4.687 4.170 0.001 0.000 0.288 128 I C -0.644 175.312 176.117 -0.268 0.000 0.999 128 I CA -0.873 60.294 61.300 -0.222 0.000 1.129 128 I CB 2.089 39.910 38.000 -0.299 0.000 1.288 128 I HN 0.291 nan 8.210 nan 0.000 0.444 129 V N 6.743 126.444 119.914 -0.355 0.000 2.370 129 V HA 0.391 4.511 4.120 0.001 0.000 0.283 129 V C -0.530 175.307 176.094 -0.429 0.000 1.023 129 V CA -0.480 61.685 62.300 -0.225 0.000 0.857 129 V CB 1.036 32.776 31.823 -0.138 0.000 0.985 129 V HN 0.371 nan 8.190 nan 0.000 0.443 130 F N 2.444 122.418 119.950 0.039 0.000 2.411 130 F HA 0.452 4.979 4.527 0.001 0.000 0.352 130 F C 0.564 176.284 175.800 -0.133 0.000 1.123 130 F CA -0.521 57.504 58.000 0.041 0.000 1.044 130 F CB 1.202 40.338 39.000 0.226 0.000 1.135 130 F HN 0.488 nan 8.300 nan 0.000 0.461 131 E N 1.931 122.130 120.200 -0.002 0.000 2.366 131 E HA 0.215 4.565 4.350 0.001 0.000 0.266 131 E C -0.274 176.207 176.600 -0.198 0.000 1.051 131 E CA -0.592 55.736 56.400 -0.120 0.000 0.884 131 E CB 0.866 30.569 29.700 0.004 0.000 1.006 131 E HN 0.683 nan 8.360 nan 0.000 0.417 132 S N 2.168 117.610 115.700 -0.430 0.000 2.593 132 S HA 0.369 4.840 4.470 0.001 0.000 0.300 132 S C 0.664 175.271 174.600 0.012 0.000 1.267 132 S CA -0.069 57.967 58.200 -0.272 0.000 1.065 132 S CB 0.629 63.720 63.200 -0.182 0.000 0.807 132 S HN 0.943 nan 8.310 nan 0.000 0.499 133 G N 2.092 110.953 108.800 0.102 0.000 2.250 133 G HA2 -0.072 3.888 3.960 0.001 0.000 0.196 133 G HA3 -0.072 3.888 3.960 0.001 0.000 0.196 133 G C 0.203 175.256 174.900 0.255 0.000 1.308 133 G CA -0.204 44.992 45.100 0.160 0.000 1.207 133 G HN 1.031 nan 8.290 nan 0.000 0.505 134 I N 2.005 122.769 120.570 0.324 0.000 2.335 134 I HA 0.096 4.267 4.170 0.001 0.000 0.251 134 I C 3.073 179.551 176.117 0.602 0.000 1.129 134 I CA 2.832 64.421 61.300 0.480 0.000 1.402 134 I CB -0.736 37.562 38.000 0.496 0.000 1.069 134 I HN 1.200 nan 8.210 nan 0.000 0.424 135 A N -0.258 122.882 122.820 0.533 0.000 1.997 135 A HA -0.245 4.075 4.320 0.001 0.000 0.221 135 A C 2.411 180.369 177.584 0.623 0.000 1.172 135 A CA 2.180 54.601 52.037 0.640 0.000 0.645 135 A CB -1.455 17.849 19.000 0.505 0.000 0.813 135 A HN 0.352 nan 8.150 nan 0.000 0.454 136 V N -0.401 119.770 119.914 0.428 0.000 2.370 136 V HA -0.346 3.774 4.120 0.001 0.000 0.252 136 V C 2.899 179.111 176.094 0.195 0.000 1.068 136 V CA 2.052 64.510 62.300 0.263 0.000 1.061 136 V CB -1.109 30.834 31.823 0.199 0.000 0.656 136 V HN 0.669 nan 8.190 nan 0.000 0.455 137 A N -1.665 121.323 122.820 0.279 0.000 2.216 137 A HA -0.047 4.273 4.320 0.001 0.000 0.214 137 A C 1.673 179.048 177.584 -0.348 0.000 1.160 137 A CA 1.279 53.353 52.037 0.063 0.000 0.725 137 A CB -0.508 18.574 19.000 0.138 0.000 0.784 137 A HN 0.578 nan 8.150 nan 0.000 0.472 138 F N -1.668 118.420 119.950 0.230 0.000 2.706 138 F HA 0.321 4.848 4.527 0.001 0.000 0.313 138 F C 1.527 177.398 175.800 0.117 0.000 1.096 138 F CA -0.434 57.688 58.000 0.202 0.000 1.219 138 F CB -0.002 39.158 39.000 0.268 0.000 1.051 138 F HN 0.075 nan 8.300 nan 0.000 0.568 139 I N 0.073 120.591 120.570 -0.088 0.000 2.179 139 I HA -0.250 3.920 4.170 0.001 0.000 0.242 139 I C 2.608 178.657 176.117 -0.114 0.000 1.088 139 I CA 1.465 62.514 61.300 -0.418 0.000 1.357 139 I CB -0.195 37.478 38.000 -0.545 0.000 1.051 139 I HN 0.051 nan 8.210 nan 0.000 0.409 140 E N 1.359 121.517 120.200 -0.071 0.000 2.038 140 E HA -0.251 4.100 4.350 0.001 0.000 0.195 140 E C 2.012 178.615 176.600 0.005 0.000 1.000 140 E CA 1.390 57.767 56.400 -0.038 0.000 0.803 140 E CB -0.470 29.203 29.700 -0.045 0.000 0.750 140 E HN 0.273 nan 8.360 nan 0.000 0.448 141 L N 0.608 121.849 121.223 0.030 0.000 1.991 141 L HA -0.272 4.068 4.340 0.001 0.000 0.221 141 L C 2.279 179.199 176.870 0.085 0.000 1.079 141 L CA 2.837 57.714 54.840 0.061 0.000 0.778 141 L CB -1.313 40.822 42.059 0.127 0.000 0.893 141 L HN 0.215 nan 8.230 nan 0.000 0.437 142 A N -0.833 122.087 122.820 0.167 0.000 1.903 142 A HA -0.343 3.977 4.320 0.001 0.000 0.219 142 A C 2.381 180.034 177.584 0.115 0.000 1.191 142 A CA 2.442 54.598 52.037 0.198 0.000 0.638 142 A CB -0.779 18.498 19.000 0.462 0.000 0.823 142 A HN 0.504 nan 8.150 nan 0.000 0.451 143 K N -0.102 120.348 120.400 0.083 0.000 2.097 143 K HA -0.075 4.245 4.320 0.001 0.000 0.206 143 K C 2.102 178.715 176.600 0.022 0.000 1.049 143 K CA 1.587 57.900 56.287 0.044 0.000 0.933 143 K CB -0.250 32.260 32.500 0.017 0.000 0.717 143 K HN 0.517 nan 8.250 nan 0.000 0.442 144 R N -0.537 119.972 120.500 0.014 0.000 2.090 144 R HA -0.005 4.336 4.340 0.001 0.000 0.228 144 R C 2.123 178.421 176.300 -0.003 0.000 1.110 144 R CA 1.310 57.410 56.100 -0.001 0.000 0.973 144 R CB -0.194 30.100 30.300 -0.010 0.000 0.869 144 R HN 0.030 nan 8.270 nan 0.000 0.440 145 V N 0.802 120.718 119.914 0.003 0.000 2.488 145 V HA -0.074 4.046 4.120 0.001 0.000 0.246 145 V C 0.605 176.696 176.094 -0.005 0.000 1.046 145 V CA 1.018 63.312 62.300 -0.009 0.000 1.053 145 V CB -0.329 31.484 31.823 -0.018 0.000 0.679 145 V HN 0.301 nan 8.190 nan 0.000 0.458 146 N N -0.386 118.321 118.700 0.010 0.000 2.751 146 N HA 0.195 4.935 4.740 0.001 0.000 0.238 146 N C -2.135 173.387 175.510 0.020 0.000 1.351 146 N CA -1.257 51.798 53.050 0.008 0.000 0.751 146 N CB 1.555 40.044 38.487 0.003 0.000 1.342 146 N HN 0.018 nan 8.380 nan 0.000 0.540 147 P HA -0.068 nan 4.420 nan 0.000 0.220 147 P C 0.964 178.273 177.300 0.016 0.000 1.148 147 P CA 0.777 63.886 63.100 0.015 0.000 0.803 147 P CB 0.357 32.059 31.700 0.005 0.000 0.782 148 A N 0.076 122.900 122.820 0.007 0.000 2.066 148 A HA 0.243 4.563 4.320 0.001 0.000 0.218 148 A C 1.492 179.079 177.584 0.005 0.000 1.157 148 A CA 0.599 52.637 52.037 0.002 0.000 0.670 148 A CB -1.117 17.877 19.000 -0.010 0.000 0.804 148 A HN 0.282 nan 8.150 nan 0.000 0.453 149 A N 0.407 123.234 122.820 0.012 0.000 2.511 149 A HA 0.354 4.675 4.320 0.001 0.000 0.242 149 A C 0.449 178.062 177.584 0.049 0.000 1.069 149 A CA -0.154 51.892 52.037 0.015 0.000 0.763 149 A CB -0.098 18.913 19.000 0.020 0.000 1.001 149 A HN 0.430 nan 8.150 nan 0.000 0.498 150 K N 2.135 122.561 120.400 0.043 0.000 2.383 150 K HA 0.277 4.597 4.320 0.001 0.000 0.286 150 K C -1.162 175.521 176.600 0.138 0.000 1.051 150 K CA -0.365 55.969 56.287 0.079 0.000 0.974 150 K CB 0.128 32.666 32.500 0.064 0.000 0.968 150 K HN 0.456 nan 8.250 nan 0.000 0.475 151 L N 5.825 127.162 121.223 0.192 0.000 2.259 151 L HA 0.254 4.594 4.340 0.001 0.000 0.288 151 L C -0.781 176.291 176.870 0.337 0.000 1.051 151 L CA -0.343 54.699 54.840 0.335 0.000 0.824 151 L CB 1.329 43.582 42.059 0.323 0.000 1.206 151 L HN 0.332 nan 8.230 nan 0.000 0.429 152 V N 4.611 124.743 119.914 0.363 0.000 2.347 152 V HA 0.276 4.397 4.120 0.001 0.000 0.280 152 V C -0.646 175.728 176.094 0.466 0.000 1.021 152 V CA -0.872 61.626 62.300 0.330 0.000 0.847 152 V CB 1.234 33.177 31.823 0.199 0.000 0.990 152 V HN 0.514 nan 8.190 nan 0.000 0.444 153 Y N 5.634 126.128 120.300 0.323 0.000 2.335 153 Y HA 0.572 5.123 4.550 0.001 0.000 0.339 153 Y C 0.346 176.381 175.900 0.223 0.000 0.987 153 Y CA -0.560 57.727 58.100 0.311 0.000 1.140 153 Y CB 0.763 39.410 38.460 0.311 0.000 1.173 153 Y HN 0.493 nan 8.280 nan 0.000 0.486 154 R N 5.430 125.831 120.500 -0.166 0.000 2.215 154 R HA 0.470 4.810 4.340 0.001 0.000 0.337 154 R C -1.145 174.961 176.300 -0.323 0.000 1.010 154 R CA -0.377 55.657 56.100 -0.110 0.000 0.871 154 R CB 0.344 30.626 30.300 -0.030 0.000 1.134 154 R HN 0.829 nan 8.270 nan 0.000 0.477 155 A N 3.539 126.280 122.820 -0.131 0.000 2.807 155 A HA 0.185 4.506 4.320 0.001 0.000 0.307 155 A C 0.906 178.448 177.584 -0.069 0.000 1.532 155 A CA -0.128 51.844 52.037 -0.108 0.000 1.215 155 A CB 0.116 19.194 19.000 0.129 0.000 1.127 155 A HN 0.789 nan 8.150 nan 0.000 0.543 156 S N 0.889 116.564 115.700 -0.041 0.000 2.428 156 S HA 0.280 4.750 4.470 0.001 0.000 0.230 156 S C 0.991 175.621 174.600 0.050 0.000 1.014 156 S CA 1.143 59.396 58.200 0.088 0.000 0.957 156 S CB 0.036 63.332 63.200 0.160 0.000 0.784 156 S HN 1.122 nan 8.310 nan 0.000 0.499 157 A N 0.195 123.002 122.820 -0.022 0.000 2.572 157 A HA 0.692 5.012 4.320 0.001 0.000 0.295 157 A C -0.037 177.501 177.584 -0.076 0.000 1.072 157 A CA -0.366 51.668 52.037 -0.006 0.000 0.691 157 A CB 0.701 19.804 19.000 0.172 0.000 1.291 157 A HN 0.251 nan 8.150 nan 0.000 0.404 158 G N -0.101 108.682 108.800 -0.027 0.000 2.441 158 G HA2 0.433 4.394 3.960 0.001 0.000 0.243 158 G HA3 0.433 4.394 3.960 0.001 0.000 0.243 158 G C 0.810 175.794 174.900 0.141 0.000 1.281 158 G CA -0.435 44.728 45.100 0.106 0.000 0.854 158 G HN 0.752 nan 8.290 nan 0.000 0.560 159 L N 1.966 123.246 121.223 0.094 0.000 2.043 159 L HA -0.210 4.130 4.340 0.001 0.000 0.212 159 L C 3.221 180.153 176.870 0.103 0.000 1.075 159 L CA 1.977 56.864 54.840 0.079 0.000 0.752 159 L CB -0.455 41.633 42.059 0.047 0.000 0.891 159 L HN 0.725 nan 8.230 nan 0.000 0.432 160 S N -1.751 114.019 115.700 0.117 0.000 2.419 160 S HA -0.161 4.309 4.470 0.001 0.000 0.233 160 S C 1.848 176.515 174.600 0.112 0.000 1.016 160 S CA 1.581 59.845 58.200 0.106 0.000 0.974 160 S CB -0.711 62.550 63.200 0.101 0.000 0.786 160 S HN 0.391 nan 8.310 nan 0.000 0.492 161 T N 2.852 117.497 114.554 0.151 0.000 2.770 161 T HA 0.189 4.539 4.350 0.001 0.000 0.263 161 T C 1.738 176.507 174.700 0.116 0.000 1.039 161 T CA 1.247 63.427 62.100 0.134 0.000 1.142 161 T CB -0.470 68.523 68.868 0.208 0.000 0.868 161 T HN 0.383 nan 8.240 nan 0.000 0.435 162 I N 1.313 121.962 120.570 0.132 0.000 2.423 162 I HA -0.152 4.018 4.170 0.001 0.000 0.254 162 I C 1.052 177.234 176.117 0.107 0.000 1.151 162 I CA 0.629 61.999 61.300 0.117 0.000 1.421 162 I CB -0.441 37.630 38.000 0.119 0.000 1.079 162 I HN 0.292 nan 8.210 nan 0.000 0.431 163 N N 0.643 119.404 118.700 0.101 0.000 2.783 163 N HA -0.142 4.598 4.740 0.001 0.000 0.247 163 N C -0.120 175.453 175.510 0.105 0.000 1.089 163 N CA 0.700 53.806 53.050 0.093 0.000 0.690 163 N CB -1.455 37.085 38.487 0.087 0.000 0.991 163 N HN 0.266 nan 8.380 nan 0.000 0.552 164 V N -2.077 117.898 119.914 0.101 0.000 3.139 164 V HA 0.627 4.748 4.120 0.001 0.000 0.307 164 V C 1.341 177.472 176.094 0.063 0.000 1.095 164 V CA -0.408 61.954 62.300 0.104 0.000 1.160 164 V CB 0.525 32.396 31.823 0.080 0.000 1.003 164 V HN 0.542 nan 8.190 nan 0.000 0.489 165 A N 2.641 125.486 122.820 0.042 0.000 2.483 165 A HA 0.350 4.671 4.320 0.001 0.000 0.238 165 A C 1.801 179.330 177.584 -0.091 0.000 1.070 165 A CA 0.612 52.633 52.037 -0.026 0.000 0.770 165 A CB 0.055 19.032 19.000 -0.038 0.000 1.008 165 A HN 1.862 nan 8.150 nan 0.000 0.497 166 S N 1.385 117.060 115.700 -0.042 0.000 2.389 166 S HA -0.315 4.156 4.470 0.001 0.000 0.231 166 S C 1.715 176.269 174.600 -0.077 0.000 1.052 166 S CA 2.476 60.653 58.200 -0.038 0.000 1.053 166 S CB -0.812 62.380 63.200 -0.013 0.000 0.886 166 S HN 0.921 nan 8.310 nan 0.000 0.456 167 Y N 1.491 121.638 120.300 -0.255 0.000 2.114 167 Y HA -0.149 4.402 4.550 0.001 0.000 0.282 167 Y C 2.107 177.828 175.900 -0.297 0.000 1.165 167 Y CA 2.130 60.048 58.100 -0.302 0.000 1.148 167 Y CB -0.291 37.879 38.460 -0.484 0.000 0.972 167 Y HN 0.295 nan 8.280 nan 0.000 0.504 168 I N 0.602 121.063 120.570 -0.182 0.000 2.315 168 I HA -0.234 3.936 4.170 0.001 0.000 0.248 168 I C 2.206 178.298 176.117 -0.042 0.000 1.117 168 I CA 1.495 62.746 61.300 -0.081 0.000 1.404 168 I CB -1.298 36.670 38.000 -0.053 0.000 1.071 168 I HN 0.413 nan 8.210 nan 0.000 0.419 169 E N 0.606 120.781 120.200 -0.041 0.000 2.031 169 E HA -0.211 4.139 4.350 0.001 0.000 0.193 169 E C 2.363 178.954 176.600 -0.015 0.000 0.994 169 E CA 1.174 57.586 56.400 0.021 0.000 0.800 169 E CB -0.088 29.620 29.700 0.013 0.000 0.752 169 E HN 0.437 nan 8.360 nan 0.000 0.447 170 R N 0.536 120.965 120.500 -0.118 0.000 2.081 170 R HA -0.157 4.184 4.340 0.001 0.000 0.235 170 R C 2.369 178.542 176.300 -0.211 0.000 1.131 170 R CA 1.337 57.337 56.100 -0.166 0.000 0.960 170 R CB -0.163 30.013 30.300 -0.207 0.000 0.856 170 R HN 0.037 nan 8.270 nan 0.000 0.436 171 E N 0.538 120.558 120.200 -0.299 0.000 2.106 171 E HA -0.180 4.171 4.350 0.001 0.000 0.192 171 E C 1.503 178.034 176.600 -0.115 0.000 0.984 171 E CA 1.114 57.342 56.400 -0.286 0.000 0.806 171 E CB -0.243 29.215 29.700 -0.403 0.000 0.750 171 E HN 0.202 nan 8.360 nan 0.000 0.458 172 F N 1.448 121.275 119.950 -0.205 0.000 2.113 172 F HA -0.127 4.400 4.527 0.001 0.000 0.297 172 F C 1.643 177.321 175.800 -0.203 0.000 1.103 172 F CA 1.859 59.735 58.000 -0.207 0.000 1.248 172 F CB -0.530 38.361 39.000 -0.181 0.000 0.999 172 F HN 0.009 nan 8.300 nan 0.000 0.475 173 D N 0.056 120.301 120.400 -0.258 0.000 2.104 173 D HA -0.219 4.422 4.640 0.001 0.000 0.194 173 D C 2.436 178.552 176.300 -0.306 0.000 0.994 173 D CA 1.322 55.128 54.000 -0.324 0.000 0.830 173 D CB -0.531 40.162 40.800 -0.178 0.000 0.959 173 D HN 0.279 nan 8.370 nan 0.000 0.452 174 R N 0.537 120.897 120.500 -0.235 0.000 2.094 174 R HA -0.151 4.189 4.340 0.001 0.000 0.239 174 R C 2.171 178.341 176.300 -0.216 0.000 1.137 174 R CA 2.015 57.995 56.100 -0.201 0.000 0.943 174 R CB -0.076 30.118 30.300 -0.177 0.000 0.850 174 R HN 0.274 nan 8.270 nan 0.000 0.433 175 V N -2.985 116.784 119.914 -0.242 0.000 3.354 175 V HA 0.273 4.393 4.120 0.001 0.000 0.258 175 V C 2.106 178.027 176.094 -0.290 0.000 1.159 175 V CA 0.915 63.084 62.300 -0.217 0.000 1.125 175 V CB -0.122 31.601 31.823 -0.168 0.000 0.774 175 V HN 0.323 nan 8.190 nan 0.000 0.464 176 A N 1.735 124.259 122.820 -0.492 0.000 1.903 176 A HA -0.113 4.208 4.320 0.001 0.000 0.219 176 A C 0.650 178.030 177.584 -0.339 0.000 1.191 176 A CA 2.532 54.188 52.037 -0.634 0.000 0.638 176 A CB -2.055 16.307 19.000 -1.065 0.000 0.823 176 A HN 0.620 nan 8.150 nan 0.000 0.451 177 P HA -0.090 nan 4.420 nan 0.000 0.225 177 P C 1.342 178.571 177.300 -0.118 0.000 1.148 177 P CA 1.800 64.790 63.100 -0.183 0.000 0.779 177 P CB -0.263 31.336 31.700 -0.168 0.000 0.780 178 T N -4.643 109.841 114.554 -0.116 0.000 3.065 178 T HA 0.137 4.488 4.350 0.001 0.000 0.252 178 T C 0.721 175.403 174.700 -0.028 0.000 1.099 178 T CA -0.096 61.964 62.100 -0.067 0.000 1.063 178 T CB -0.789 68.035 68.868 -0.072 0.000 0.948 178 T HN -0.075 nan 8.240 nan 0.000 0.506 179 L N 2.393 123.597 121.223 -0.032 0.000 2.485 179 L HA 0.133 4.474 4.340 0.001 0.000 0.275 179 L C 1.343 178.270 176.870 0.095 0.000 1.207 179 L CA -0.101 54.767 54.840 0.047 0.000 0.855 179 L CB 0.474 42.575 42.059 0.070 0.000 1.114 179 L HN 0.177 nan 8.230 nan 0.000 0.485 180 D N 1.289 121.771 120.400 0.137 0.000 2.149 180 D HA -0.010 4.630 4.640 0.001 0.000 0.201 180 D C 0.032 176.467 176.300 0.224 0.000 0.972 180 D CA 1.286 55.375 54.000 0.149 0.000 0.835 180 D CB 0.488 41.362 40.800 0.123 0.000 0.966 180 D HN 0.174 nan 8.370 nan 0.000 0.476 181 V N 1.380 121.449 119.914 0.258 0.000 2.686 181 V HA 0.326 4.446 4.120 0.001 0.000 0.306 181 V C -0.501 175.822 176.094 0.382 0.000 1.065 181 V CA -0.641 61.869 62.300 0.349 0.000 0.894 181 V CB 2.676 34.631 31.823 0.221 0.000 1.004 181 V HN -0.092 nan 8.190 nan 0.000 0.424 182 I N 4.017 124.849 120.570 0.437 0.000 2.359 182 I HA 0.634 4.805 4.170 0.001 0.000 0.284 182 I C 0.394 176.781 176.117 0.451 0.000 1.018 182 I CA -0.380 61.183 61.300 0.438 0.000 1.173 182 I CB 1.628 39.817 38.000 0.315 0.000 1.326 182 I HN 0.695 nan 8.210 nan 0.000 0.462 183 A N 8.307 131.363 122.820 0.392 0.000 2.341 183 A HA 0.657 4.978 4.320 0.001 0.000 0.326 183 A C -0.378 177.353 177.584 0.245 0.000 1.402 183 A CA -0.412 51.808 52.037 0.306 0.000 0.957 183 A CB 0.096 19.223 19.000 0.212 0.000 1.151 183 A HN 0.681 nan 8.150 nan 0.000 0.533 184 L N 3.388 124.757 121.223 0.242 0.000 2.305 184 L HA 0.189 4.530 4.340 0.001 0.000 0.281 184 L C 1.391 178.340 176.870 0.132 0.000 1.085 184 L CA -0.662 54.272 54.840 0.156 0.000 0.813 184 L CB 1.473 43.606 42.059 0.124 0.000 1.157 184 L HN 0.514 nan 8.230 nan 0.000 0.436 185 V N 1.377 121.300 119.914 0.014 0.000 2.392 185 V HA -0.174 3.947 4.120 0.001 0.000 0.249 185 V C 1.089 177.183 176.094 0.000 0.000 1.059 185 V CA 1.566 63.831 62.300 -0.059 0.000 1.051 185 V CB 0.026 31.702 31.823 -0.246 0.000 0.658 185 V HN 0.814 nan 8.190 nan 0.000 0.455 186 S N -1.790 113.858 115.700 -0.088 0.000 2.538 186 S HA 0.458 4.928 4.470 0.001 0.000 0.288 186 S C -2.130 172.320 174.600 -0.250 0.000 1.108 186 S CA -1.307 56.783 58.200 -0.185 0.000 0.971 186 S CB 2.052 65.242 63.200 -0.018 0.000 1.041 186 S HN 0.023 nan 8.310 nan 0.000 0.483 187 P HA -0.004 nan 4.420 nan 0.000 0.219 187 P C 1.111 178.350 177.300 -0.102 0.000 1.146 187 P CA 1.113 64.060 63.100 -0.255 0.000 0.808 187 P CB 0.003 31.531 31.700 -0.287 0.000 0.779 188 A N -1.150 121.638 122.820 -0.053 0.000 2.178 188 A HA -0.131 4.189 4.320 0.001 0.000 0.218 188 A C 1.995 179.638 177.584 0.099 0.000 1.157 188 A CA 1.232 53.298 52.037 0.048 0.000 0.689 188 A CB -1.285 17.785 19.000 0.118 0.000 0.787 188 A HN 0.177 nan 8.150 nan 0.000 0.465 189 M N -1.036 118.583 119.600 0.032 0.000 2.419 189 M HA 0.020 4.500 4.480 0.001 0.000 0.264 189 M C 2.323 178.667 176.300 0.073 0.000 1.082 189 M CA 0.848 56.158 55.300 0.018 0.000 1.119 189 M CB -0.164 32.363 32.600 -0.122 0.000 1.398 189 M HN 0.436 nan 8.290 nan 0.000 0.453 190 A N 0.758 123.617 122.820 0.064 0.000 2.019 190 A HA -0.023 4.298 4.320 0.001 0.000 0.219 190 A C 2.381 180.038 177.584 0.122 0.000 1.164 190 A CA 1.708 53.810 52.037 0.108 0.000 0.644 190 A CB -0.702 18.348 19.000 0.084 0.000 0.805 190 A HN 0.477 nan 8.150 nan 0.000 0.449 191 A N -0.221 122.656 122.820 0.095 0.000 1.978 191 A HA -0.163 4.158 4.320 0.001 0.000 0.220 191 A C 1.753 179.385 177.584 0.081 0.000 1.170 191 A CA 1.586 53.674 52.037 0.085 0.000 0.636 191 A CB -0.327 18.714 19.000 0.069 0.000 0.810 191 A HN 0.627 nan 8.150 nan 0.000 0.448 192 E N -0.708 119.551 120.200 0.099 0.000 2.476 192 E HA 0.190 4.540 4.350 0.001 0.000 0.196 192 E C -0.902 175.769 176.600 0.119 0.000 1.029 192 E CA -0.246 56.215 56.400 0.102 0.000 0.896 192 E CB 0.630 30.403 29.700 0.123 0.000 1.012 192 E HN 0.287 nan 8.360 nan 0.000 0.475 193 V N 2.062 122.040 119.914 0.107 0.000 2.333 193 V HA 0.070 4.191 4.120 0.001 0.000 0.274 193 V C 0.409 176.461 176.094 -0.070 0.000 1.028 193 V CA -0.350 61.989 62.300 0.067 0.000 0.851 193 V CB 1.633 33.538 31.823 0.136 0.000 1.000 193 V HN -0.064 nan 8.190 nan 0.000 0.456 194 V N 5.524 125.331 119.914 -0.178 0.000 1.984 194 V HA 0.349 4.469 4.120 0.001 0.000 0.272 194 V C 0.519 176.453 176.094 -0.267 0.000 1.706 194 V CA 0.855 63.034 62.300 -0.201 0.000 1.644 194 V CB -0.168 31.534 31.823 -0.202 0.000 1.509 194 V HN 0.970 nan 8.190 nan 0.000 0.511 195 S N 2.009 117.552 115.700 -0.261 0.000 2.627 195 S HA 0.621 5.092 4.470 0.001 0.000 0.268 195 S C 0.083 174.442 174.600 -0.403 0.000 1.130 195 S CA -0.594 57.428 58.200 -0.296 0.000 0.819 195 S CB 1.663 64.692 63.200 -0.286 0.000 1.100 195 S HN 0.461 nan 8.310 nan 0.000 0.465 196 R N -0.060 120.152 120.500 -0.480 0.000 4.126 196 R HA 0.211 4.551 4.340 0.001 0.000 0.128 196 R C 0.328 176.349 176.300 -0.466 0.000 0.687 196 R CA 0.038 55.621 56.100 -0.861 0.000 1.049 196 R CB -0.605 29.159 30.300 -0.894 0.000 1.559 196 R HN 0.518 nan 8.270 nan 0.000 0.455 197 D N 1.915 122.144 120.400 -0.286 0.000 2.309 197 D HA -0.099 4.541 4.640 0.001 0.000 0.212 197 D C 0.667 176.862 176.300 -0.174 0.000 0.968 197 D CA 1.152 55.057 54.000 -0.158 0.000 0.882 197 D CB -0.078 40.673 40.800 -0.081 0.000 0.918 197 D HN 0.312 nan 8.370 nan 0.000 0.503 198 N N -0.316 118.265 118.700 -0.199 0.000 2.235 198 N HA 0.001 4.741 4.740 0.001 0.000 0.231 198 N C -0.572 174.789 175.510 -0.249 0.000 1.177 198 N CA -0.135 52.872 53.050 -0.071 0.000 0.874 198 N CB 0.306 38.850 38.487 0.095 0.000 1.097 198 N HN -0.175 nan 8.380 nan 0.000 0.518 199 V N 1.648 121.261 119.914 -0.501 0.000 2.370 199 V HA 0.507 4.628 4.120 0.001 0.000 0.279 199 V C -0.841 174.936 176.094 -0.527 0.000 1.029 199 V CA -0.439 61.706 62.300 -0.258 0.000 0.870 199 V CB -0.059 31.790 31.823 0.044 0.000 0.984 199 V HN 0.015 nan 8.190 nan 0.000 0.451 200 F N 2.085 122.143 119.950 0.181 0.000 2.603 200 F HA 0.508 5.036 4.527 0.001 0.000 0.317 200 F C 0.071 175.979 175.800 0.181 0.000 1.066 200 F CA -0.815 57.276 58.000 0.152 0.000 0.941 200 F CB 1.658 40.727 39.000 0.115 0.000 1.291 200 F HN 0.498 nan 8.300 nan 0.000 0.472 201 H N 1.438 120.647 119.070 0.231 0.000 2.541 201 H HA 0.725 5.282 4.556 0.001 0.000 0.316 201 H C -1.917 173.471 175.328 0.100 0.000 1.043 201 H CA -0.655 55.465 56.048 0.122 0.000 1.232 201 H CB 1.301 31.101 29.762 0.063 0.000 1.406 201 H HN 0.459 nan 8.280 nan 0.000 0.469 202 V N 5.510 125.478 119.914 0.091 0.000 2.498 202 V HA 0.275 4.396 4.120 0.001 0.000 0.283 202 V C 0.818 176.900 176.094 -0.020 0.000 1.015 202 V CA -0.583 61.662 62.300 -0.092 0.000 0.867 202 V CB 1.138 32.953 31.823 -0.013 0.000 1.025 202 V HN 0.982 nan 8.190 nan 0.000 0.441 203 G N 2.078 110.810 108.800 -0.113 0.000 2.588 203 G HA2 0.354 4.314 3.960 0.001 0.000 0.278 203 G HA3 0.354 4.314 3.960 0.001 0.000 0.278 203 G C -0.245 174.591 174.900 -0.107 0.000 1.307 203 G CA -0.413 44.655 45.100 -0.053 0.000 1.016 203 G HN 0.767 nan 8.290 nan 0.000 0.503 204 H N -1.374 117.679 119.070 -0.028 0.000 2.771 204 H HA 0.369 4.926 4.556 0.001 0.000 0.364 204 H C 1.153 176.133 175.328 -0.580 0.000 1.133 204 H CA 0.280 56.215 56.048 -0.188 0.000 1.423 204 H CB 0.840 30.568 29.762 -0.058 0.000 1.425 204 H HN 0.615 nan 8.280 nan 0.000 0.606 205 G N 0.315 108.348 108.800 -1.278 0.000 2.535 205 G HA2 0.460 4.420 3.960 0.001 0.000 0.303 205 G HA3 0.460 4.420 3.960 0.001 0.000 0.303 205 G C -0.497 173.379 174.900 -1.706 0.000 1.237 205 G CA -0.277 43.917 45.100 -1.510 0.000 0.986 205 G HN 0.605 nan 8.290 nan 0.000 0.494 206 V N -2.732 116.465 119.914 -1.196 0.000 3.001 206 V HA 0.533 4.653 4.120 0.001 0.000 0.314 206 V C -0.368 175.410 176.094 -0.527 0.000 1.099 206 V CA -1.314 60.518 62.300 -0.780 0.000 0.989 206 V CB 1.939 33.429 31.823 -0.555 0.000 1.040 206 V HN 0.631 nan 8.190 nan 0.000 0.434 207 D N 1.368 121.677 120.400 -0.152 0.000 2.493 207 D HA -0.009 4.631 4.640 0.001 0.000 0.240 207 D C 1.251 177.481 176.300 -0.118 0.000 1.142 207 D CA 0.862 54.905 54.000 0.070 0.000 0.872 207 D CB 0.953 41.834 40.800 0.136 0.000 1.173 207 D HN 1.045 nan 8.370 nan 0.000 0.467 208 H N 1.885 120.963 119.070 0.013 0.000 2.521 208 H HA -0.081 4.475 4.556 0.001 0.000 0.286 208 H C 0.392 175.708 175.328 -0.019 0.000 1.034 208 H CA 1.253 57.292 56.048 -0.015 0.000 1.278 208 H CB -0.068 29.713 29.762 0.032 0.000 1.386 208 H HN 0.242 nan 8.280 nan 0.000 0.567 209 N N 0.067 118.385 118.700 -0.636 0.000 2.467 209 N HA 0.046 4.786 4.740 0.001 0.000 0.278 209 N C 0.678 176.063 175.510 -0.208 0.000 1.306 209 N CA -0.337 52.490 53.050 -0.371 0.000 0.905 209 N CB 0.066 38.303 38.487 -0.416 0.000 1.236 209 N HN 0.165 nan 8.380 nan 0.000 0.509 210 L N 0.758 121.810 121.223 -0.284 0.000 1.990 210 L HA -0.163 4.178 4.340 0.001 0.000 0.213 210 L C 1.418 178.321 176.870 0.054 0.000 1.072 210 L CA 1.857 56.536 54.840 -0.268 0.000 0.755 210 L CB -0.612 40.887 42.059 -0.933 0.000 0.889 210 L HN 0.261 nan 8.230 nan 0.000 0.432 211 D N -1.189 119.285 120.400 0.123 0.000 2.182 211 D HA -0.176 4.464 4.640 0.001 0.000 0.201 211 D C 2.128 178.519 176.300 0.152 0.000 0.986 211 D CA 0.821 54.987 54.000 0.276 0.000 0.847 211 D CB 0.066 41.020 40.800 0.256 0.000 0.942 211 D HN 0.421 nan 8.370 nan 0.000 0.467 212 Q N 0.034 119.875 119.800 0.069 0.000 2.167 212 Q HA -0.004 4.336 4.340 0.001 0.000 0.202 212 Q C 2.535 178.547 176.000 0.020 0.000 0.970 212 Q CA 0.398 56.223 55.803 0.036 0.000 0.855 212 Q CB -0.259 28.484 28.738 0.008 0.000 0.911 212 Q HN 0.399 nan 8.270 nan 0.000 0.438 213 L N -0.312 120.917 121.223 0.010 0.000 2.270 213 L HA 0.061 4.402 4.340 0.001 0.000 0.210 213 L C 2.194 179.055 176.870 -0.016 0.000 1.104 213 L CA 0.627 55.455 54.840 -0.020 0.000 0.804 213 L CB -0.744 41.282 42.059 -0.054 0.000 0.937 213 L HN 0.219 nan 8.230 nan 0.000 0.450 214 G N 0.813 109.637 108.800 0.040 0.000 2.605 214 G HA2 -0.234 3.727 3.960 0.001 0.000 0.222 214 G HA3 -0.234 3.727 3.960 0.001 0.000 0.222 214 G C 0.012 174.932 174.900 0.034 0.000 1.092 214 G CA 1.307 46.401 45.100 -0.010 0.000 0.730 214 G HN 0.611 nan 8.290 nan 0.000 0.588 215 D N -1.928 118.494 120.400 0.037 0.000 2.555 215 D HA 0.147 4.787 4.640 0.001 0.000 0.209 215 D C -2.981 173.293 176.300 -0.044 0.000 1.043 215 D CA -1.224 52.794 54.000 0.030 0.000 0.836 215 D CB -0.217 40.792 40.800 0.349 0.000 3.236 215 D HN 0.098 nan 8.370 nan 0.000 0.467 216 P HA 0.491 nan 4.420 nan 0.000 0.280 216 P C -0.419 176.631 177.300 -0.417 0.000 1.272 216 P CA -0.554 62.422 63.100 -0.207 0.000 0.819 216 P CB 1.064 32.655 31.700 -0.182 0.000 1.122 217 S N 0.672 115.979 115.700 -0.655 0.000 2.545 217 S HA 0.290 4.760 4.470 0.001 0.000 0.275 217 S C -1.374 172.801 174.600 -0.709 0.000 1.299 217 S CA -1.213 56.392 58.200 -0.993 0.000 1.048 217 S CB 0.008 62.549 63.200 -1.099 0.000 0.938 217 S HN 0.303 nan 8.310 nan 0.000 0.496 218 P HA 0.145 nan 4.420 nan 0.000 0.249 218 P C -0.876 176.012 177.300 -0.687 0.000 1.229 218 P CA 0.318 62.862 63.100 -0.926 0.000 0.788 218 P CB -0.029 30.679 31.700 -1.653 0.000 1.072 219 Y N 0.385 120.369 120.300 -0.526 0.000 2.387 219 Y HA 0.598 5.148 4.550 0.001 0.000 0.336 219 Y C 1.106 176.827 175.900 -0.298 0.000 1.067 219 Y CA -1.809 55.959 58.100 -0.554 0.000 1.114 219 Y CB 0.881 38.818 38.460 -0.872 0.000 1.208 219 Y HN -0.076 nan 8.280 nan 0.000 0.458 220 A N 2.195 125.036 122.820 0.036 0.000 2.336 220 A HA 0.395 4.716 4.320 0.001 0.000 0.278 220 A C 0.230 177.931 177.584 0.195 0.000 1.371 220 A CA -0.664 51.426 52.037 0.089 0.000 0.842 220 A CB -0.053 19.008 19.000 0.100 0.000 1.363 220 A HN 0.725 nan 8.150 nan 0.000 0.517 221 E N -0.368 119.916 120.200 0.140 0.000 2.458 221 E HA 0.381 4.731 4.350 0.001 0.000 0.264 221 E C 0.468 177.152 176.600 0.139 0.000 1.097 221 E CA 0.565 57.039 56.400 0.123 0.000 0.973 221 E CB -0.437 29.299 29.700 0.060 0.000 0.963 221 E HN 2.114 nan 8.360 nan 0.000 0.451 222 G N 0.613 109.431 108.800 0.029 0.000 2.483 222 G HA2 -0.085 3.876 3.960 0.001 0.000 0.521 222 G HA3 -0.085 3.876 3.960 0.001 0.000 0.521 222 G C -0.734 173.996 174.900 -0.284 0.000 1.278 222 G CA -0.422 44.599 45.100 -0.132 0.000 0.965 222 G HN 0.581 nan 8.290 nan 0.000 0.504 223 I N 1.045 121.366 120.570 -0.414 0.000 2.336 223 I HA 0.485 4.655 4.170 0.001 0.000 0.292 223 I C -0.082 175.608 176.117 -0.711 0.000 0.991 223 I CA -0.596 60.469 61.300 -0.391 0.000 1.227 223 I CB 1.472 39.352 38.000 -0.200 0.000 1.366 223 I HN 0.481 nan 8.210 nan 0.000 0.466 224 H N 4.381 123.234 119.070 -0.362 0.000 2.547 224 H HA 0.739 5.295 4.556 0.001 0.000 0.342 224 H C -0.549 174.431 175.328 -0.579 0.000 1.048 224 H CA -0.537 55.199 56.048 -0.520 0.000 1.204 224 H CB 1.809 30.937 29.762 -1.057 0.000 1.493 224 H HN 0.718 nan 8.280 nan 0.000 0.511 225 A N 2.788 125.277 122.820 -0.552 0.000 2.356 225 A HA 0.727 5.048 4.320 0.001 0.000 0.323 225 A C -1.040 176.407 177.584 -0.228 0.000 1.119 225 A CA -0.767 50.793 52.037 -0.796 0.000 0.790 225 A CB 1.563 19.675 19.000 -1.480 0.000 1.273 225 A HN 0.507 nan 8.150 nan 0.000 0.452 226 V N 0.244 120.046 119.914 -0.187 0.000 2.876 226 V HA 0.874 4.995 4.120 0.001 0.000 0.312 226 V C -0.428 175.725 176.094 0.099 0.000 1.085 226 V CA 0.134 62.470 62.300 0.060 0.000 0.945 226 V CB 1.866 33.746 31.823 0.095 0.000 1.017 226 V HN 1.854 nan 8.190 nan 0.000 0.428 227 A N 4.977 127.928 122.820 0.218 0.000 2.422 227 A HA 0.895 5.215 4.320 0.001 0.000 0.302 227 A C -1.587 176.145 177.584 0.247 0.000 1.041 227 A CA -0.510 51.722 52.037 0.325 0.000 0.708 227 A CB 2.088 21.392 19.000 0.508 0.000 1.257 227 A HN 1.087 nan 8.150 nan 0.000 0.414 228 V N 1.037 121.121 119.914 0.285 0.000 2.709 228 V HA 0.895 5.015 4.120 0.001 0.000 0.308 228 V C 0.493 176.685 176.094 0.163 0.000 1.062 228 V CA 0.446 62.844 62.300 0.164 0.000 0.901 228 V CB 1.238 33.147 31.823 0.144 0.000 1.003 228 V HN 2.402 nan 8.190 nan 0.000 0.425 229 G N 3.323 112.190 108.800 0.113 0.000 2.629 229 G HA2 0.037 3.998 3.960 0.001 0.000 0.686 229 G HA3 0.037 3.998 3.960 0.001 0.000 0.686 229 G C 0.180 175.188 174.900 0.180 0.000 1.232 229 G CA -0.056 45.125 45.100 0.136 0.000 0.803 229 G HN 1.455 nan 8.290 nan 0.000 0.638 230 S N -0.122 115.677 115.700 0.165 0.000 2.524 230 S HA 0.338 4.808 4.470 0.001 0.000 0.215 230 S C 1.267 176.050 174.600 0.305 0.000 0.986 230 S CA 0.963 59.284 58.200 0.201 0.000 0.911 230 S CB 0.241 63.501 63.200 0.100 0.000 0.805 230 S HN 1.546 nan 8.310 nan 0.000 0.501 231 M N 3.379 123.159 119.600 0.301 0.000 2.504 231 M HA 0.188 4.669 4.480 0.001 0.000 0.378 231 M C 0.317 176.841 176.300 0.374 0.000 1.706 231 M CA -0.552 54.920 55.300 0.286 0.000 1.036 231 M CB -1.366 31.398 32.600 0.273 0.000 2.129 231 M HN 0.435 nan 8.290 nan 0.000 0.474 232 L N 4.131 125.512 121.223 0.263 0.000 3.843 232 L HA -0.275 4.065 4.340 0.001 0.000 0.411 232 L C -0.136 176.923 176.870 0.315 0.000 1.205 232 L CA 0.020 55.010 54.840 0.249 0.000 0.945 232 L CB -2.178 39.988 42.059 0.179 0.000 1.929 232 L HN 0.718 nan 8.230 nan 0.000 0.934 233 F N 1.925 122.015 119.950 0.232 0.000 2.602 233 F HA 0.162 4.690 4.527 0.001 0.000 0.385 233 F C 0.890 176.838 175.800 0.247 0.000 1.063 233 F CA 0.203 58.350 58.000 0.246 0.000 1.233 233 F CB 0.419 39.549 39.000 0.217 0.000 1.067 233 F HN 0.050 nan 8.300 nan 0.000 0.564 234 D N 8.955 128.938 120.400 -0.695 0.000 2.472 234 D HA 0.316 4.957 4.640 0.001 0.000 0.234 234 D C -1.922 174.119 176.300 -0.432 0.000 1.088 234 D CA -2.503 51.289 54.000 -0.347 0.000 0.882 234 D CB 1.425 42.161 40.800 -0.107 0.000 1.037 234 D HN 0.208 nan 8.370 nan 0.000 0.520 235 P HA -0.111 nan 4.420 nan 0.000 0.221 235 P C 1.109 178.477 177.300 0.112 0.000 1.150 235 P CA 0.615 63.871 63.100 0.261 0.000 0.800 235 P CB 0.414 32.233 31.700 0.199 0.000 0.787 236 E N -0.975 119.197 120.200 -0.048 0.000 2.265 236 E HA -0.180 4.170 4.350 0.001 0.000 0.196 236 E C 1.695 178.228 176.600 -0.112 0.000 0.996 236 E CA 0.392 56.742 56.400 -0.083 0.000 0.832 236 E CB -0.483 29.190 29.700 -0.044 0.000 0.756 236 E HN 0.127 nan 8.360 nan 0.000 0.491 237 F N 0.128 119.898 119.950 -0.299 0.000 2.102 237 F HA -0.199 4.328 4.527 0.001 0.000 0.298 237 F C 1.473 176.883 175.800 -0.650 0.000 1.105 237 F CA 1.546 59.212 58.000 -0.556 0.000 1.239 237 F CB -0.234 38.279 39.000 -0.813 0.000 0.991 237 F HN 0.001 nan 8.300 nan 0.000 0.474 238 F N -0.228 119.672 119.950 -0.083 0.000 2.234 238 F HA -0.092 4.435 4.527 0.001 0.000 0.296 238 F C 2.327 177.975 175.800 -0.252 0.000 1.089 238 F CA 1.151 58.983 58.000 -0.280 0.000 1.343 238 F CB -1.310 37.493 39.000 -0.328 0.000 1.040 238 F HN -0.231 nan 8.300 nan 0.000 0.498 239 V N -0.252 119.735 119.914 0.121 0.000 2.250 239 V HA -0.334 3.787 4.120 0.001 0.000 0.250 239 V C 2.279 178.315 176.094 -0.096 0.000 1.060 239 V CA 1.947 64.285 62.300 0.064 0.000 1.030 239 V CB -1.003 30.822 31.823 0.004 0.000 0.643 239 V HN 0.201 nan 8.190 nan 0.000 0.445 240 V N -0.283 119.492 119.914 -0.232 0.000 2.323 240 V HA -0.143 3.977 4.120 0.001 0.000 0.244 240 V C 2.638 178.543 176.094 -0.315 0.000 1.041 240 V CA 1.832 63.973 62.300 -0.265 0.000 1.025 240 V CB -0.957 30.680 31.823 -0.311 0.000 0.656 240 V HN 0.552 nan 8.190 nan 0.000 0.451 241 A N 0.803 123.281 122.820 -0.570 0.000 1.902 241 A HA -0.201 4.119 4.320 0.001 0.000 0.217 241 A C 2.555 179.940 177.584 -0.332 0.000 1.181 241 A CA 2.306 54.022 52.037 -0.535 0.000 0.623 241 A CB -0.784 17.535 19.000 -1.136 0.000 0.818 241 A HN 0.668 nan 8.150 nan 0.000 0.443 242 S N 0.043 115.445 115.700 -0.496 0.000 2.356 242 S HA -0.221 4.249 4.470 0.001 0.000 0.223 242 S C 1.968 176.579 174.600 0.018 0.000 1.032 242 S CA 1.602 59.685 58.200 -0.195 0.000 1.005 242 S CB -0.432 62.694 63.200 -0.124 0.000 0.867 242 S HN 0.596 nan 8.310 nan 0.000 0.449 243 K N 1.694 122.071 120.400 -0.039 0.000 2.063 243 K HA -0.001 4.319 4.320 0.001 0.000 0.208 243 K C 2.163 178.724 176.600 -0.066 0.000 1.048 243 K CA 1.266 57.535 56.287 -0.031 0.000 0.928 243 K CB -0.556 31.915 32.500 -0.048 0.000 0.713 243 K HN 0.484 nan 8.250 nan 0.000 0.442 244 A N -0.323 122.435 122.820 -0.103 0.000 2.123 244 A HA 0.082 4.402 4.320 0.001 0.000 0.214 244 A C 0.317 177.531 177.584 -0.616 0.000 1.152 244 A CA 0.465 52.303 52.037 -0.331 0.000 0.728 244 A CB 0.080 18.874 19.000 -0.344 0.000 0.814 244 A HN 0.265 nan 8.150 nan 0.000 0.464 245 F N -0.327 119.664 119.950 0.069 0.000 2.584 245 F HA 0.305 4.832 4.527 0.001 0.000 0.328 245 F C -1.780 174.119 175.800 0.165 0.000 1.407 245 F CA -1.873 56.214 58.000 0.145 0.000 1.145 245 F CB 1.487 40.658 39.000 0.285 0.000 1.440 245 F HN 0.047 nan 8.300 nan 0.000 0.580 246 P HA -0.216 nan 4.420 nan 0.000 0.225 246 P C 1.238 178.601 177.300 0.104 0.000 1.148 246 P CA 1.225 64.396 63.100 0.118 0.000 0.779 246 P CB 0.285 32.009 31.700 0.040 0.000 0.780 247 Q N -0.058 119.804 119.800 0.103 0.000 2.398 247 Q HA 0.045 4.385 4.340 0.001 0.000 0.204 247 Q C 0.404 176.393 176.000 -0.019 0.000 0.932 247 Q CA 0.625 56.452 55.803 0.040 0.000 0.916 247 Q CB -0.662 28.098 28.738 0.036 0.000 1.024 247 Q HN 0.065 nan 8.270 nan 0.000 0.504 248 V N 2.692 122.620 119.914 0.025 0.000 2.465 248 V HA 0.247 4.367 4.120 0.001 0.000 0.279 248 V C 0.081 175.994 176.094 -0.300 0.000 1.045 248 V CA -0.327 61.825 62.300 -0.246 0.000 0.938 248 V CB 1.421 33.005 31.823 -0.398 0.000 0.986 248 V HN 0.125 nan 8.190 nan 0.000 0.467 249 T N 5.960 120.253 114.554 -0.435 0.000 2.771 249 T HA 0.539 4.889 4.350 0.001 0.000 0.291 249 T C -0.535 173.868 174.700 -0.494 0.000 0.954 249 T CA 0.129 62.040 62.100 -0.314 0.000 1.045 249 T CB 0.112 68.863 68.868 -0.195 0.000 0.917 249 T HN 0.329 nan 8.240 nan 0.000 0.484 250 F N 2.607 122.424 119.950 -0.221 0.000 2.388 250 F HA 0.324 4.852 4.527 0.001 0.000 0.358 250 F C 0.659 176.302 175.800 -0.263 0.000 1.122 250 F CA -0.942 56.979 58.000 -0.131 0.000 1.056 250 F CB 0.754 39.786 39.000 0.054 0.000 1.155 250 F HN 0.590 nan 8.300 nan 0.000 0.461 251 H N 2.248 121.436 119.070 0.198 0.000 2.640 251 H HA 0.477 5.034 4.556 0.001 0.000 0.297 251 H C -0.702 174.702 175.328 0.128 0.000 1.073 251 H CA -0.530 55.692 56.048 0.291 0.000 1.305 251 H CB 1.004 30.977 29.762 0.352 0.000 1.404 251 H HN 0.296 nan 8.280 nan 0.000 0.459 252 V N 6.380 126.387 119.914 0.156 0.000 2.313 252 V HA 0.250 4.371 4.120 0.001 0.000 0.278 252 V C 0.016 176.143 176.094 0.055 0.000 1.017 252 V CA -0.440 61.815 62.300 -0.076 0.000 0.823 252 V CB 0.310 31.883 31.823 -0.417 0.000 1.010 252 V HN 0.672 nan 8.190 nan 0.000 0.443 253 I N 3.591 124.153 120.570 -0.013 0.000 2.404 253 I HA 0.585 4.755 4.170 0.001 0.000 0.293 253 I C 1.188 177.258 176.117 -0.078 0.000 0.992 253 I CA -0.475 60.782 61.300 -0.071 0.000 1.149 253 I CB 1.670 39.520 38.000 -0.249 0.000 1.315 253 I HN 0.769 nan 8.210 nan 0.000 0.446 254 G N 4.045 112.797 108.800 -0.080 0.000 2.273 254 G HA2 -0.313 3.647 3.960 0.001 0.000 0.280 254 G HA3 -0.313 3.647 3.960 0.001 0.000 0.280 254 G C 0.903 175.719 174.900 -0.139 0.000 1.047 254 G CA 0.681 45.734 45.100 -0.079 0.000 0.869 254 G HN 0.833 nan 8.290 nan 0.000 0.502 255 S N -1.134 114.380 115.700 -0.311 0.000 2.507 255 S HA 0.303 4.773 4.470 0.001 0.000 0.235 255 S C 2.356 176.706 174.600 -0.417 0.000 0.988 255 S CA 1.249 59.021 58.200 -0.714 0.000 0.944 255 S CB -0.068 62.174 63.200 -1.597 0.000 0.762 255 S HN 2.380 nan 8.310 nan 0.000 0.526 256 G N 0.539 109.222 108.800 -0.195 0.000 2.148 256 G HA2 -0.281 3.679 3.960 0.001 0.000 0.254 256 G HA3 -0.281 3.679 3.960 0.001 0.000 0.254 256 G C -0.228 174.635 174.900 -0.061 0.000 0.981 256 G CA 0.617 45.672 45.100 -0.075 0.000 0.670 256 G HN 0.615 nan 8.290 nan 0.000 0.528 257 M N -0.772 118.757 119.600 -0.120 0.000 2.569 257 M HA 0.591 5.072 4.480 0.001 0.000 0.279 257 M C 0.863 177.133 176.300 -0.049 0.000 1.253 257 M CA -0.040 55.230 55.300 -0.050 0.000 0.867 257 M CB 1.491 34.080 32.600 -0.018 0.000 1.727 257 M HN 0.276 nan 8.290 nan 0.000 0.467 258 G N 0.707 109.500 108.800 -0.011 0.000 2.582 258 G HA2 0.349 4.310 3.960 0.001 0.000 0.232 258 G HA3 0.349 4.310 3.960 0.001 0.000 0.232 258 G C -0.716 174.197 174.900 0.021 0.000 1.458 258 G CA -0.535 44.559 45.100 -0.010 0.000 1.062 258 G HN 0.715 nan 8.290 nan 0.000 0.566 259 R N 0.335 120.833 120.500 -0.004 0.000 2.429 259 R HA 0.113 4.453 4.340 0.001 0.000 0.302 259 R C -0.138 176.012 176.300 -0.250 0.000 1.268 259 R CA -0.295 55.797 56.100 -0.014 0.000 1.090 259 R CB -0.842 29.480 30.300 0.037 0.000 1.102 259 R HN 0.691 nan 8.270 nan 0.000 0.522 260 H N 5.404 124.012 119.070 -0.770 0.000 3.094 260 H HA -0.012 4.544 4.556 0.001 0.000 0.320 260 H C -1.302 173.716 175.328 -0.517 0.000 1.000 260 H CA -0.649 54.962 56.048 -0.728 0.000 1.413 260 H CB 1.195 30.370 29.762 -0.978 0.000 1.405 260 H HN 0.459 nan 8.280 nan 0.000 0.586 261 P HA -0.098 nan 4.420 nan 0.000 0.225 261 P C 1.138 178.440 177.300 0.003 0.000 1.148 261 P CA 1.457 64.443 63.100 -0.190 0.000 0.779 261 P CB 0.119 31.686 31.700 -0.223 0.000 0.780 262 G N -1.504 107.441 108.800 0.243 0.000 2.511 262 G HA2 -0.122 3.838 3.960 0.001 0.000 0.217 262 G HA3 -0.122 3.838 3.960 0.001 0.000 0.217 262 G C 0.299 175.379 174.900 0.299 0.000 1.133 262 G CA -0.046 45.233 45.100 0.298 0.000 0.792 262 G HN 0.134 nan 8.290 nan 0.000 0.539 263 Y N 1.643 122.062 120.300 0.198 0.000 2.620 263 Y HA 0.350 4.901 4.550 0.001 0.000 0.330 263 Y C 1.417 177.361 175.900 0.072 0.000 1.186 263 Y CA -0.863 57.306 58.100 0.115 0.000 1.467 263 Y CB -0.150 38.380 38.460 0.116 0.000 1.262 263 Y HN 0.064 nan 8.280 nan 0.000 0.550 264 G N 2.409 111.333 108.800 0.206 0.000 2.699 264 G HA2 -0.024 3.936 3.960 0.001 0.000 0.246 264 G HA3 -0.024 3.936 3.960 0.001 0.000 0.246 264 G C 0.435 175.411 174.900 0.127 0.000 1.219 264 G CA -0.498 44.679 45.100 0.129 0.000 0.866 264 G HN 0.627 nan 8.290 nan 0.000 0.572 265 D N -0.192 120.263 120.400 0.092 0.000 2.312 265 D HA -0.108 4.532 4.640 0.001 0.000 0.211 265 D C 2.035 178.376 176.300 0.067 0.000 0.964 265 D CA 0.703 54.747 54.000 0.073 0.000 0.877 265 D CB 0.099 40.930 40.800 0.053 0.000 0.924 265 D HN 0.518 nan 8.370 nan 0.000 0.515 266 N N 0.454 119.208 118.700 0.090 0.000 2.461 266 N HA -0.064 4.677 4.740 0.001 0.000 0.188 266 N C -0.070 175.512 175.510 0.120 0.000 1.134 266 N CA 0.095 53.208 53.050 0.105 0.000 0.878 266 N CB 0.131 38.712 38.487 0.157 0.000 0.972 266 N HN -0.065 nan 8.380 nan 0.000 0.456 267 V N 1.995 121.951 119.914 0.071 0.000 2.394 267 V HA 0.357 4.478 4.120 0.001 0.000 0.282 267 V C 0.332 176.389 176.094 -0.062 0.000 1.031 267 V CA -0.768 61.517 62.300 -0.024 0.000 0.881 267 V CB 1.419 33.114 31.823 -0.214 0.000 0.982 267 V HN 0.071 nan 8.190 nan 0.000 0.451 268 I N 5.191 125.681 120.570 -0.134 0.000 2.321 268 I HA 0.427 4.597 4.170 0.001 0.000 0.291 268 I C -0.430 175.539 176.117 -0.247 0.000 0.998 268 I CA -0.715 60.461 61.300 -0.207 0.000 1.227 268 I CB 1.732 39.601 38.000 -0.217 0.000 1.368 268 I HN 0.260 nan 8.210 nan 0.000 0.466 269 V N 7.115 126.872 119.914 -0.263 0.000 2.394 269 V HA 0.350 4.470 4.120 0.001 0.000 0.282 269 V C -0.578 175.329 176.094 -0.313 0.000 1.031 269 V CA -0.527 61.677 62.300 -0.160 0.000 0.881 269 V CB 0.968 32.799 31.823 0.013 0.000 0.982 269 V HN 0.431 nan 8.190 nan 0.000 0.451 270 Y N 2.094 122.346 120.300 -0.081 0.000 2.487 270 Y HA 0.696 5.246 4.550 0.001 0.000 0.337 270 Y C 1.101 176.942 175.900 -0.098 0.000 1.076 270 Y CA -0.368 57.675 58.100 -0.094 0.000 1.115 270 Y CB 1.436 39.798 38.460 -0.164 0.000 1.235 270 Y HN 0.743 nan 8.280 nan 0.000 0.468 271 G N 0.279 109.123 108.800 0.073 0.000 2.583 271 G HA2 0.101 4.061 3.960 0.001 0.000 0.275 271 G HA3 0.101 4.061 3.960 0.001 0.000 0.275 271 G C -0.676 174.224 174.900 0.000 0.000 1.342 271 G CA -0.680 44.429 45.100 0.015 0.000 1.030 271 G HN 0.685 nan 8.290 nan 0.000 0.520 272 E N -0.328 119.859 120.200 -0.022 0.000 2.417 272 E HA 0.146 4.496 4.350 0.001 0.000 0.261 272 E C 0.045 176.623 176.600 -0.036 0.000 1.000 272 E CA 0.548 56.928 56.400 -0.034 0.000 0.919 272 E CB 0.493 30.173 29.700 -0.035 0.000 0.955 272 E HN 0.187 nan 8.360 nan 0.000 0.455 273 M N 2.799 122.367 119.600 -0.054 0.000 2.508 273 M HA 0.268 4.748 4.480 0.001 0.000 0.327 273 M C -0.280 176.001 176.300 -0.031 0.000 1.160 273 M CA -1.092 54.171 55.300 -0.061 0.000 0.980 273 M CB 1.513 34.033 32.600 -0.134 0.000 1.693 273 M HN 0.078 nan 8.290 nan 0.000 0.452 274 K N 1.146 121.535 120.400 -0.018 0.000 2.382 274 K HA -0.009 4.311 4.320 0.001 0.000 0.275 274 K C 0.706 177.333 176.600 0.045 0.000 1.009 274 K CA 0.326 56.620 56.287 0.012 0.000 0.970 274 K CB 0.218 32.720 32.500 0.004 0.000 0.934 274 K HN 0.654 nan 8.250 nan 0.000 0.479 275 H N 2.362 121.442 119.070 0.015 0.000 2.297 275 H HA -0.279 4.278 4.556 0.001 0.000 0.289 275 H C 1.470 176.826 175.328 0.046 0.000 1.105 275 H CA 2.987 59.071 56.048 0.060 0.000 1.219 275 H CB 0.153 30.010 29.762 0.158 0.000 1.351 275 H HN 0.682 nan 8.280 nan 0.000 0.481 276 A N 0.127 122.896 122.820 -0.085 0.000 1.940 276 A HA -0.248 4.073 4.320 0.001 0.000 0.219 276 A C 2.422 179.934 177.584 -0.120 0.000 1.176 276 A CA 1.907 53.860 52.037 -0.140 0.000 0.631 276 A CB -0.740 18.253 19.000 -0.012 0.000 0.814 276 A HN 0.731 nan 8.150 nan 0.000 0.446 277 Q N -0.618 119.145 119.800 -0.062 0.000 2.245 277 Q HA -0.113 4.228 4.340 0.001 0.000 0.201 277 Q C 2.138 178.153 176.000 0.025 0.000 0.955 277 Q CA 1.621 57.411 55.803 -0.022 0.000 0.870 277 Q CB -0.185 28.554 28.738 0.002 0.000 0.945 277 Q HN 0.841 nan 8.270 nan 0.000 0.461 278 T N -0.916 113.619 114.554 -0.032 0.000 2.881 278 T HA -0.113 4.237 4.350 0.001 0.000 0.270 278 T C 1.779 176.489 174.700 0.017 0.000 1.068 278 T CA 0.710 62.807 62.100 -0.004 0.000 1.131 278 T CB -0.187 68.657 68.868 -0.040 0.000 0.871 278 T HN 0.149 nan 8.240 nan 0.000 0.479 279 I N 2.377 122.896 120.570 -0.085 0.000 2.286 279 I HA -0.007 4.163 4.170 0.001 0.000 0.248 279 I C 2.946 178.961 176.117 -0.171 0.000 1.115 279 I CA 1.312 62.551 61.300 -0.102 0.000 1.392 279 I CB -1.951 35.985 38.000 -0.108 0.000 1.065 279 I HN 0.478 nan 8.210 nan 0.000 0.418 280 G N -0.226 108.465 108.800 -0.182 0.000 2.422 280 G HA2 -0.263 3.697 3.960 0.001 0.000 0.218 280 G HA3 -0.263 3.697 3.960 0.001 0.000 0.218 280 G C 1.639 176.298 174.900 -0.402 0.000 1.146 280 G CA 0.402 45.341 45.100 -0.269 0.000 0.769 280 G HN 0.317 nan 8.290 nan 0.000 0.547 281 Y N 0.494 120.563 120.300 -0.385 0.000 2.293 281 Y HA 0.039 4.589 4.550 0.001 0.000 0.291 281 Y C 2.615 178.441 175.900 -0.123 0.000 1.137 281 Y CA 0.690 58.548 58.100 -0.405 0.000 1.202 281 Y CB -0.123 38.121 38.460 -0.360 0.000 0.990 281 Y HN 0.161 nan 8.280 nan 0.000 0.537 282 I N -0.181 120.387 120.570 -0.002 0.000 2.206 282 I HA -0.236 3.934 4.170 0.001 0.000 0.239 282 I C 2.504 178.442 176.117 -0.300 0.000 1.078 282 I CA 1.189 62.468 61.300 -0.035 0.000 1.367 282 I CB -0.393 37.675 38.000 0.114 0.000 1.078 282 I HN 0.012 nan 8.210 nan 0.000 0.413 283 K N 0.378 120.341 120.400 -0.729 0.000 2.103 283 K HA -0.212 4.109 4.320 0.001 0.000 0.207 283 K C 1.783 178.006 176.600 -0.628 0.000 1.048 283 K CA 1.569 57.195 56.287 -1.103 0.000 0.930 283 K CB -0.064 31.654 32.500 -1.302 0.000 0.716 283 K HN 0.470 nan 8.250 nan 0.000 0.444 284 H N -0.768 118.178 119.070 -0.208 0.000 2.586 284 H HA 0.228 4.784 4.556 0.001 0.000 0.273 284 H C 0.309 175.717 175.328 0.134 0.000 0.997 284 H CA 0.214 56.238 56.048 -0.040 0.000 1.177 284 H CB 0.388 30.097 29.762 -0.089 0.000 1.471 284 H HN 0.189 nan 8.280 nan 0.000 0.538 285 A N 1.182 124.110 122.820 0.181 0.000 2.406 285 A HA 0.109 4.429 4.320 0.001 0.000 0.243 285 A C 1.703 179.266 177.584 -0.036 0.000 1.082 285 A CA -0.247 51.801 52.037 0.019 0.000 0.786 285 A CB 0.828 19.791 19.000 -0.062 0.000 1.029 285 A HN 0.264 nan 8.150 nan 0.000 0.495 286 R N -0.363 120.086 120.500 -0.085 0.000 2.093 286 R HA 0.074 4.414 4.340 0.001 0.000 0.224 286 R C -0.352 176.024 176.300 0.128 0.000 1.101 286 R CA 1.343 57.454 56.100 0.019 0.000 0.979 286 R CB -0.118 30.210 30.300 0.048 0.000 0.877 286 R HN 0.785 nan 8.270 nan 0.000 0.441 287 F N -3.014 116.877 119.950 -0.098 0.000 2.645 287 F HA 0.684 5.212 4.527 0.001 0.000 0.310 287 F C -0.472 175.222 175.800 -0.176 0.000 1.102 287 F CA -1.175 56.768 58.000 -0.096 0.000 0.952 287 F CB 0.875 39.837 39.000 -0.063 0.000 1.326 287 F HN -0.114 nan 8.300 nan 0.000 0.456 288 G N 0.872 109.543 108.800 -0.214 0.000 2.597 288 G HA2 0.766 4.727 3.960 0.001 0.000 0.317 288 G HA3 0.766 4.727 3.960 0.001 0.000 0.317 288 G C -1.769 173.032 174.900 -0.165 0.000 1.230 288 G CA -1.156 43.545 45.100 -0.665 0.000 0.996 288 G HN 0.775 nan 8.290 nan 0.000 0.490 289 I N -0.012 120.514 120.570 -0.073 0.000 2.607 289 I HA 0.496 4.666 4.170 0.001 0.000 0.290 289 I C -0.105 176.108 176.117 0.160 0.000 1.129 289 I CA -0.854 60.493 61.300 0.078 0.000 1.042 289 I CB 2.585 40.581 38.000 -0.007 0.000 1.242 289 I HN 0.556 nan 8.210 nan 0.000 0.421 290 A N 7.583 130.389 122.820 -0.023 0.000 2.511 290 A HA 0.649 4.970 4.320 0.001 0.000 0.340 290 A C -2.502 174.732 177.584 -0.584 0.000 1.396 290 A CA -1.358 50.481 52.037 -0.329 0.000 0.887 290 A CB -0.154 18.589 19.000 -0.428 0.000 1.145 290 A HN 0.365 nan 8.150 nan 0.000 0.497 291 P HA 0.226 nan 4.420 nan 0.000 0.219 291 P C -1.123 176.078 177.300 -0.165 0.000 1.847 291 P CA -0.200 62.658 63.100 -0.404 0.000 1.059 291 P CB -0.382 31.022 31.700 -0.493 0.000 1.900 292 Y N 1.000 121.306 120.300 0.009 0.000 2.377 292 Y HA 0.302 4.853 4.550 0.001 0.000 0.330 292 Y C 1.905 177.818 175.900 0.022 0.000 1.108 292 Y CA -0.819 57.291 58.100 0.018 0.000 1.308 292 Y CB 0.298 38.758 38.460 0.001 0.000 1.216 292 Y HN 0.290 nan 8.280 nan 0.000 0.518 293 A N 2.041 124.979 122.820 0.195 0.000 2.167 293 A HA 0.113 4.433 4.320 0.001 0.000 0.214 293 A C 1.024 178.673 177.584 0.109 0.000 1.151 293 A CA 0.902 53.016 52.037 0.128 0.000 0.735 293 A CB -0.005 19.059 19.000 0.106 0.000 0.802 293 A HN 0.486 nan 8.150 nan 0.000 0.467 294 S N -1.518 114.242 115.700 0.100 0.000 2.570 294 S HA 0.461 4.932 4.470 0.001 0.000 0.286 294 S C -0.121 174.496 174.600 0.028 0.000 1.099 294 S CA -0.519 57.713 58.200 0.054 0.000 0.913 294 S CB 1.500 64.723 63.200 0.039 0.000 1.085 294 S HN 0.316 nan 8.310 nan 0.000 0.480 295 E N 0.999 121.202 120.200 0.005 0.000 2.481 295 E HA 0.108 4.458 4.350 0.001 0.000 0.198 295 E C -0.213 176.370 176.600 -0.028 0.000 1.027 295 E CA -0.107 56.282 56.400 -0.019 0.000 0.900 295 E CB 0.340 30.024 29.700 -0.026 0.000 0.993 295 E HN 0.458 nan 8.360 nan 0.000 0.482 296 Q N 1.323 121.112 119.800 -0.019 0.000 3.034 296 Q HA 0.036 4.377 4.340 0.001 0.000 0.249 296 Q C -0.053 175.914 176.000 -0.055 0.000 1.282 296 Q CA 0.237 56.025 55.803 -0.025 0.000 0.918 296 Q CB -0.766 27.969 28.738 -0.005 0.000 1.772 296 Q HN 0.117 nan 8.270 nan 0.000 0.498 297 V N -1.940 117.923 119.914 -0.086 0.000 2.914 297 V HA 0.753 4.873 4.120 0.001 0.000 0.314 297 V C -2.412 173.562 176.094 -0.199 0.000 1.084 297 V CA -2.493 59.717 62.300 -0.151 0.000 0.963 297 V CB 1.791 33.508 31.823 -0.177 0.000 1.025 297 V HN 0.152 nan 8.190 nan 0.000 0.432 298 P HA 0.233 nan 4.420 nan 0.000 0.272 298 P C 0.983 178.054 177.300 -0.381 0.000 1.230 298 P CA -0.103 62.714 63.100 -0.472 0.000 0.788 298 P CB 1.433 32.427 31.700 -1.177 0.000 0.949 299 V N 1.340 121.129 119.914 -0.208 0.000 2.594 299 V HA -0.259 3.861 4.120 0.001 0.000 0.253 299 V C 2.225 178.300 176.094 -0.032 0.000 1.069 299 V CA 2.075 64.327 62.300 -0.080 0.000 1.082 299 V CB -1.661 30.160 31.823 -0.003 0.000 0.680 299 V HN 0.644 nan 8.190 nan 0.000 0.469 300 Y N -0.949 119.371 120.300 0.033 0.000 2.509 300 Y HA -0.001 4.550 4.550 0.001 0.000 0.293 300 Y C 1.938 177.874 175.900 0.059 0.000 1.133 300 Y CA 0.544 58.668 58.100 0.039 0.000 1.283 300 Y CB -0.815 37.663 38.460 0.030 0.000 1.001 300 Y HN 0.224 nan 8.280 nan 0.000 0.555 301 L N 1.714 122.873 121.223 -0.108 0.000 2.187 301 L HA -0.056 4.284 4.340 0.001 0.000 0.213 301 L C 2.393 179.329 176.870 0.110 0.000 1.100 301 L CA 1.485 56.331 54.840 0.009 0.000 0.765 301 L CB -1.173 40.791 42.059 -0.158 0.000 0.904 301 L HN 0.344 nan 8.230 nan 0.000 0.437 302 A N -0.858 122.032 122.820 0.117 0.000 1.940 302 A HA -0.207 4.114 4.320 0.001 0.000 0.219 302 A C 1.948 179.622 177.584 0.151 0.000 1.176 302 A CA 1.996 54.124 52.037 0.151 0.000 0.631 302 A CB -0.581 18.566 19.000 0.246 0.000 0.814 302 A HN 0.568 nan 8.150 nan 0.000 0.446 303 D N -0.593 119.956 120.400 0.249 0.000 2.240 303 D HA -0.049 4.591 4.640 0.001 0.000 0.206 303 D C 2.194 178.596 176.300 0.170 0.000 0.963 303 D CA 1.510 55.657 54.000 0.245 0.000 0.863 303 D CB -0.221 40.711 40.800 0.220 0.000 0.973 303 D HN 0.596 nan 8.370 nan 0.000 0.501 304 S N -0.312 115.521 115.700 0.221 0.000 2.524 304 S HA 0.023 4.493 4.470 0.001 0.000 0.216 304 S C 1.106 175.942 174.600 0.394 0.000 0.987 304 S CA -0.358 58.009 58.200 0.277 0.000 0.909 304 S CB 0.121 63.531 63.200 0.350 0.000 0.781 304 S HN -0.024 nan 8.310 nan 0.000 0.521 305 S N 2.039 117.886 115.700 0.244 0.000 2.509 305 S HA 0.181 4.651 4.470 0.001 0.000 0.287 305 S C 1.280 175.969 174.600 0.149 0.000 1.248 305 S CA -0.456 57.866 58.200 0.203 0.000 1.089 305 S CB -0.072 63.251 63.200 0.205 0.000 0.900 305 S HN 0.365 nan 8.310 nan 0.000 0.496 306 M N 5.124 124.790 119.600 0.110 0.000 2.132 306 M HA -0.093 4.387 4.480 0.001 0.000 0.263 306 M C 2.224 178.492 176.300 -0.055 0.000 1.065 306 M CA 1.714 57.020 55.300 0.011 0.000 1.122 306 M CB -1.098 31.483 32.600 -0.032 0.000 1.365 306 M HN 0.875 nan 8.290 nan 0.000 0.411 307 K N 0.584 120.931 120.400 -0.088 0.000 2.097 307 K HA -0.124 4.197 4.320 0.001 0.000 0.206 307 K C 1.901 178.087 176.600 -0.689 0.000 1.049 307 K CA 1.284 57.362 56.287 -0.348 0.000 0.933 307 K CB -0.542 31.790 32.500 -0.280 0.000 0.717 307 K HN 0.271 nan 8.250 nan 0.000 0.442 308 L N 0.847 121.854 121.223 -0.360 0.000 2.056 308 L HA -0.149 4.191 4.340 0.001 0.000 0.207 308 L C 2.616 179.399 176.870 -0.145 0.000 1.078 308 L CA 0.458 55.149 54.840 -0.248 0.000 0.749 308 L CB -0.477 41.527 42.059 -0.091 0.000 0.901 308 L HN 0.200 nan 8.230 nan 0.000 0.433 309 L N -0.332 120.832 121.223 -0.098 0.000 2.013 309 L HA -0.279 4.061 4.340 0.001 0.000 0.212 309 L C 2.656 179.539 176.870 0.022 0.000 1.073 309 L CA 1.868 56.691 54.840 -0.027 0.000 0.753 309 L CB -0.714 41.347 42.059 0.004 0.000 0.890 309 L HN 0.256 nan 8.230 nan 0.000 0.432 310 Q N -0.983 118.803 119.800 -0.024 0.000 2.061 310 Q HA -0.220 4.120 4.340 0.001 0.000 0.204 310 Q C 2.254 178.473 176.000 0.365 0.000 0.984 310 Q CA 1.962 57.831 55.803 0.109 0.000 0.846 310 Q CB -0.917 27.866 28.738 0.074 0.000 0.902 310 Q HN 0.580 nan 8.270 nan 0.000 0.421 311 Y N 1.465 121.906 120.300 0.235 0.000 2.128 311 Y HA -0.166 4.384 4.550 0.001 0.000 0.284 311 Y C 2.077 178.121 175.900 0.241 0.000 1.154 311 Y CA 0.813 59.065 58.100 0.254 0.000 1.149 311 Y CB -0.961 37.600 38.460 0.169 0.000 0.976 311 Y HN 0.161 nan 8.280 nan 0.000 0.505 312 D N -0.538 120.043 120.400 0.302 0.000 2.182 312 D HA -0.201 4.440 4.640 0.001 0.000 0.201 312 D C 2.093 178.466 176.300 0.121 0.000 0.986 312 D CA 1.003 55.114 54.000 0.185 0.000 0.847 312 D CB -0.787 40.070 40.800 0.094 0.000 0.942 312 D HN 0.336 nan 8.370 nan 0.000 0.467 313 F N 0.166 120.092 119.950 -0.040 0.000 2.161 313 F HA -0.186 4.341 4.527 0.001 0.000 0.300 313 F C 1.616 177.224 175.800 -0.319 0.000 1.089 313 F CA 1.260 59.111 58.000 -0.249 0.000 1.282 313 F CB -0.196 38.533 39.000 -0.452 0.000 1.010 313 F HN -0.151 nan 8.300 nan 0.000 0.485 314 F N 0.341 120.343 119.950 0.085 0.000 2.776 314 F HA 0.305 4.832 4.527 0.001 0.000 0.300 314 F C 1.965 177.735 175.800 -0.049 0.000 1.116 314 F CA 0.600 58.595 58.000 -0.008 0.000 1.375 314 F CB -0.337 38.733 39.000 0.117 0.000 1.109 314 F HN 0.103 nan 8.300 nan 0.000 0.585 315 G N 1.128 109.995 108.800 0.112 0.000 2.155 315 G HA2 -0.326 3.634 3.960 0.001 0.000 0.257 315 G HA3 -0.326 3.634 3.960 0.001 0.000 0.257 315 G C 0.166 175.161 174.900 0.158 0.000 0.983 315 G CA 0.012 45.163 45.100 0.085 0.000 0.676 315 G HN 0.275 nan 8.290 nan 0.000 0.528 316 L N 2.071 123.429 121.223 0.224 0.000 2.597 316 L HA 0.451 4.792 4.340 0.001 0.000 0.271 316 L C -1.470 175.530 176.870 0.216 0.000 1.157 316 L CA -1.508 53.447 54.840 0.191 0.000 0.928 316 L CB 0.101 42.261 42.059 0.168 0.000 1.216 316 L HN -0.038 nan 8.230 nan 0.000 0.481 317 P HA 0.172 nan 4.420 nan 0.000 0.265 317 P C -1.248 176.245 177.300 0.322 0.000 1.187 317 P CA 0.059 63.360 63.100 0.336 0.000 0.766 317 P CB 0.666 32.590 31.700 0.374 0.000 0.820 318 A N 2.796 125.818 122.820 0.338 0.000 2.365 318 A HA 0.577 4.898 4.320 0.001 0.000 0.318 318 A C -0.909 176.892 177.584 0.361 0.000 1.091 318 A CA -0.640 51.580 52.037 0.306 0.000 0.763 318 A CB 1.181 20.362 19.000 0.303 0.000 1.248 318 A HN 0.309 nan 8.150 nan 0.000 0.442 319 V N 1.668 121.794 119.914 0.352 0.000 2.370 319 V HA 0.523 4.644 4.120 0.001 0.000 0.279 319 V C 0.104 176.362 176.094 0.273 0.000 1.029 319 V CA -0.194 62.312 62.300 0.344 0.000 0.870 319 V CB 0.160 32.193 31.823 0.350 0.000 0.984 319 V HN 1.313 nan 8.190 nan 0.000 0.451 320 C N 4.052 123.511 119.300 0.265 0.000 3.288 320 C HA 0.755 5.215 4.460 0.001 0.000 0.318 320 C C -3.111 171.688 174.990 -0.318 0.000 1.356 320 C CA -2.315 56.729 59.018 0.043 0.000 1.359 320 C CB 1.791 29.525 27.740 -0.009 0.000 1.688 320 C HN 0.579 nan 8.230 nan 0.000 0.467 321 P HA 0.180 nan 4.420 nan 0.000 0.269 321 P C 0.293 177.430 177.300 -0.273 0.000 1.217 321 P CA 0.489 63.177 63.100 -0.686 0.000 0.783 321 P CB 0.479 31.961 31.700 -0.364 0.000 0.898 322 N N 1.166 119.742 118.700 -0.208 0.000 2.149 322 N HA -0.184 4.556 4.740 0.001 0.000 0.188 322 N C 1.699 177.181 175.510 -0.048 0.000 1.019 322 N CA 1.370 54.371 53.050 -0.082 0.000 0.857 322 N CB -0.471 37.988 38.487 -0.047 0.000 0.997 322 N HN 0.411 nan 8.380 nan 0.000 0.426 323 A N 0.456 123.244 122.820 -0.054 0.000 2.131 323 A HA -0.081 4.240 4.320 0.001 0.000 0.220 323 A C 1.887 179.470 177.584 -0.002 0.000 1.158 323 A CA 1.520 53.540 52.037 -0.028 0.000 0.665 323 A CB -0.406 18.572 19.000 -0.037 0.000 0.795 323 A HN 0.281 nan 8.150 nan 0.000 0.460 324 V N -4.660 115.266 119.914 0.020 0.000 3.477 324 V HA 0.192 4.313 4.120 0.001 0.000 0.297 324 V C 1.601 177.738 176.094 0.072 0.000 1.433 324 V CA 0.512 62.854 62.300 0.069 0.000 1.052 324 V CB -0.354 31.566 31.823 0.162 0.000 0.895 324 V HN 0.048 nan 8.190 nan 0.000 0.438 325 V N 1.947 121.888 119.914 0.045 0.000 2.261 325 V HA 0.128 4.249 4.120 0.001 0.000 0.246 325 V C 2.248 178.445 176.094 0.172 0.000 1.047 325 V CA 2.391 64.726 62.300 0.059 0.000 1.015 325 V CB -1.482 30.344 31.823 0.004 0.000 0.642 325 V HN 1.094 nan 8.190 nan 0.000 0.446 326 G N 1.024 109.900 108.800 0.127 0.000 2.574 326 G HA2 -0.256 3.704 3.960 0.001 0.000 0.282 326 G HA3 -0.256 3.704 3.960 0.001 0.000 0.282 326 G C -1.951 172.983 174.900 0.057 0.000 1.257 326 G CA 0.140 45.324 45.100 0.140 0.000 0.956 326 G HN 0.505 nan 8.290 nan 0.000 0.560 327 P HA 0.525 nan 4.420 nan 0.000 0.219 327 P C -1.411 175.519 177.300 -0.616 0.000 1.847 327 P CA 0.041 62.958 63.100 -0.306 0.000 1.059 327 P CB -0.385 31.099 31.700 -0.360 0.000 1.900 328 Y N -0.233 120.022 120.300 -0.076 0.000 2.479 328 Y HA 0.328 4.879 4.550 0.001 0.000 0.338 328 Y C 0.765 176.565 175.900 -0.167 0.000 1.055 328 Y CA -0.902 57.144 58.100 -0.090 0.000 1.023 328 Y CB 2.321 40.758 38.460 -0.037 0.000 1.287 328 Y HN -0.106 nan 8.280 nan 0.000 0.447 329 K N 0.412 120.765 120.400 -0.079 0.000 2.102 329 K HA 0.360 4.680 4.320 0.001 0.000 0.244 329 K C 0.448 176.977 176.600 -0.119 0.000 1.021 329 K CA 0.167 56.309 56.287 -0.241 0.000 0.913 329 K CB 0.645 32.738 32.500 -0.678 0.000 1.062 329 K HN 0.813 nan 8.250 nan 0.000 0.485 330 S N -0.168 115.422 115.700 -0.183 0.000 3.270 330 S HA -0.184 4.287 4.470 0.001 0.000 0.293 330 S C -0.366 174.038 174.600 -0.327 0.000 1.278 330 S CA 1.055 59.195 58.200 -0.099 0.000 1.038 330 S CB -0.931 62.411 63.200 0.237 0.000 1.218 330 S HN 0.553 nan 8.310 nan 0.000 0.659 331 R N -0.140 120.002 120.500 -0.596 0.000 2.393 331 R HA 0.523 4.863 4.340 0.001 0.000 0.315 331 R C -1.261 174.607 176.300 -0.720 0.000 0.952 331 R CA -0.284 55.561 56.100 -0.425 0.000 0.842 331 R CB 0.744 30.967 30.300 -0.128 0.000 1.163 331 R HN 0.123 nan 8.270 nan 0.000 0.450 332 F N 1.296 121.297 119.950 0.084 0.000 2.332 332 F HA 0.345 4.873 4.527 0.001 0.000 0.368 332 F C 1.164 177.037 175.800 0.121 0.000 1.110 332 F CA -0.777 57.268 58.000 0.076 0.000 1.087 332 F CB 1.607 40.628 39.000 0.035 0.000 1.235 332 F HN 0.543 nan 8.300 nan 0.000 0.470 333 G N 2.582 111.487 108.800 0.175 0.000 2.527 333 G HA2 0.374 4.334 3.960 0.001 0.000 0.248 333 G HA3 0.374 4.334 3.960 0.001 0.000 0.248 333 G C -1.341 173.683 174.900 0.207 0.000 1.231 333 G CA -0.148 45.014 45.100 0.103 0.000 0.838 333 G HN 0.667 nan 8.290 nan 0.000 0.570 334 Y N -1.941 118.419 120.300 0.100 0.000 2.644 334 Y HA 0.746 5.297 4.550 0.001 0.000 0.338 334 Y C -0.330 175.617 175.900 0.079 0.000 1.119 334 Y CA -1.458 56.700 58.100 0.096 0.000 1.060 334 Y CB 0.878 39.416 38.460 0.131 0.000 1.294 334 Y HN 0.429 nan 8.280 nan 0.000 0.472 335 T N 3.855 118.544 114.554 0.226 0.000 2.749 335 T HA 0.422 4.772 4.350 0.001 0.000 0.287 335 T C -2.810 172.068 174.700 0.297 0.000 0.970 335 T CA -1.446 60.723 62.100 0.115 0.000 0.980 335 T CB 1.047 69.972 68.868 0.096 0.000 0.924 335 T HN 0.366 nan 8.240 nan 0.000 0.456 336 P HA 0.193 nan 4.420 nan 0.000 0.267 336 P C 1.164 178.579 177.300 0.191 0.000 1.200 336 P CA 0.811 64.110 63.100 0.332 0.000 0.772 336 P CB 0.319 32.136 31.700 0.194 0.000 0.855 337 G N 1.480 110.369 108.800 0.149 0.000 2.212 337 G HA2 -0.264 3.697 3.960 0.001 0.000 0.266 337 G HA3 -0.264 3.697 3.960 0.001 0.000 0.266 337 G C 0.386 175.324 174.900 0.063 0.000 0.978 337 G CA -0.100 45.048 45.100 0.080 0.000 0.632 337 G HN 0.696 nan 8.290 nan 0.000 0.537 338 N N 0.811 119.567 118.700 0.094 0.000 2.609 338 N HA 0.553 5.293 4.740 0.001 0.000 0.234 338 N C 1.510 177.037 175.510 0.028 0.000 1.001 338 N CA 0.646 53.737 53.050 0.067 0.000 0.926 338 N CB 0.972 39.516 38.487 0.096 0.000 1.130 338 N HN 0.367 nan 8.380 nan 0.000 0.510 339 A N 3.457 126.265 122.820 -0.019 0.000 1.892 339 A HA -0.199 4.122 4.320 0.001 0.000 0.218 339 A C 1.565 179.118 177.584 -0.053 0.000 1.188 339 A CA 1.559 53.555 52.037 -0.070 0.000 0.631 339 A CB -0.207 18.752 19.000 -0.069 0.000 0.822 339 A HN 0.653 nan 8.150 nan 0.000 0.447 340 D N -0.031 120.359 120.400 -0.016 0.000 2.144 340 D HA -0.139 4.502 4.640 0.001 0.000 0.199 340 D C 2.472 178.786 176.300 0.024 0.000 0.984 340 D CA 1.856 55.855 54.000 -0.002 0.000 0.834 340 D CB -0.405 40.399 40.800 0.006 0.000 0.955 340 D HN 0.626 nan 8.370 nan 0.000 0.465 341 S N 0.152 115.886 115.700 0.056 0.000 2.387 341 S HA -0.084 4.386 4.470 0.001 0.000 0.226 341 S C 2.276 176.950 174.600 0.124 0.000 1.026 341 S CA 0.633 58.902 58.200 0.116 0.000 0.972 341 S CB -0.594 62.708 63.200 0.170 0.000 0.814 341 S HN 0.067 nan 8.310 nan 0.000 0.477 342 V N 2.816 122.734 119.914 0.007 0.000 2.255 342 V HA -0.167 3.954 4.120 0.001 0.000 0.247 342 V C 2.592 178.611 176.094 -0.125 0.000 1.051 342 V CA 1.797 63.960 62.300 -0.228 0.000 1.018 342 V CB -0.770 30.743 31.823 -0.517 0.000 0.641 342 V HN 0.460 nan 8.190 nan 0.000 0.445 343 I N 0.793 121.347 120.570 -0.027 0.000 2.208 343 I HA -0.236 3.934 4.170 0.001 0.000 0.245 343 I C 2.673 178.870 176.117 0.134 0.000 1.097 343 I CA 2.104 63.494 61.300 0.151 0.000 1.363 343 I CB -1.908 36.130 38.000 0.063 0.000 1.051 343 I HN 0.327 nan 8.210 nan 0.000 0.413 344 A N 0.762 123.621 122.820 0.065 0.000 1.930 344 A HA 0.017 4.337 4.320 0.001 0.000 0.217 344 A C 2.567 180.162 177.584 0.018 0.000 1.175 344 A CA 1.727 53.794 52.037 0.050 0.000 0.627 344 A CB -0.674 18.359 19.000 0.055 0.000 0.815 344 A HN 0.415 nan 8.150 nan 0.000 0.443 345 A N -0.024 122.826 122.820 0.051 0.000 1.897 345 A HA -0.006 4.314 4.320 0.001 0.000 0.215 345 A C 2.095 179.587 177.584 -0.153 0.000 1.181 345 A CA 1.353 53.436 52.037 0.077 0.000 0.620 345 A CB -0.549 18.613 19.000 0.270 0.000 0.821 345 A HN 0.465 nan 8.150 nan 0.000 0.443 346 I N -0.355 120.067 120.570 -0.246 0.000 2.226 346 I HA -0.229 3.941 4.170 0.001 0.000 0.245 346 I C 2.549 178.267 176.117 -0.664 0.000 1.100 346 I CA 1.718 62.630 61.300 -0.645 0.000 1.374 346 I CB -0.615 36.872 38.000 -0.855 0.000 1.057 346 I HN 0.251 nan 8.210 nan 0.000 0.413 347 T N 0.098 114.482 114.554 -0.284 0.000 2.720 347 T HA -0.249 4.102 4.350 0.001 0.000 0.268 347 T C 1.884 176.407 174.700 -0.294 0.000 1.037 347 T CA 1.450 63.471 62.100 -0.130 0.000 1.144 347 T CB -0.214 68.680 68.868 0.043 0.000 0.864 347 T HN 0.418 nan 8.240 nan 0.000 0.444 348 Q N 0.216 119.770 119.800 -0.411 0.000 2.083 348 Q HA 0.079 4.420 4.340 0.001 0.000 0.198 348 Q C 2.743 178.098 176.000 -1.074 0.000 0.969 348 Q CA 1.160 56.560 55.803 -0.672 0.000 0.838 348 Q CB -0.259 28.025 28.738 -0.758 0.000 0.900 348 Q HN 0.542 nan 8.270 nan 0.000 0.436 349 A N 0.882 123.026 122.820 -1.126 0.000 1.940 349 A HA -0.169 4.151 4.320 0.001 0.000 0.219 349 A C 2.020 179.271 177.584 -0.555 0.000 1.176 349 A CA 1.068 52.589 52.037 -0.860 0.000 0.631 349 A CB -0.669 17.905 19.000 -0.710 0.000 0.814 349 A HN 0.307 nan 8.150 nan 0.000 0.446 350 L N -0.705 120.167 121.223 -0.585 0.000 2.191 350 L HA -0.145 4.195 4.340 0.001 0.000 0.212 350 L C 1.923 178.696 176.870 -0.162 0.000 1.103 350 L CA 1.126 55.790 54.840 -0.294 0.000 0.769 350 L CB -0.208 41.704 42.059 -0.245 0.000 0.908 350 L HN 0.333 nan 8.230 nan 0.000 0.438 351 E N -0.324 119.751 120.200 -0.208 0.000 2.489 351 E HA 0.219 4.569 4.350 0.001 0.000 0.204 351 E C 0.683 177.235 176.600 -0.080 0.000 1.006 351 E CA 0.136 56.464 56.400 -0.120 0.000 0.936 351 E CB 0.236 29.868 29.700 -0.114 0.000 1.002 351 E HN 0.252 nan 8.360 nan 0.000 0.488 352 A N 3.886 126.640 122.820 -0.109 0.000 2.520 352 A HA 0.292 4.612 4.320 0.001 0.000 0.245 352 A C -2.014 175.632 177.584 0.104 0.000 1.072 352 A CA -0.854 51.222 52.037 0.065 0.000 0.761 352 A CB -0.312 18.827 19.000 0.231 0.000 1.004 352 A HN -0.107 nan 8.150 nan 0.000 0.499 353 P HA 0.213 nan 4.420 nan 0.000 0.274 353 P C -0.463 176.903 177.300 0.110 0.000 1.231 353 P CA -0.524 62.634 63.100 0.097 0.000 0.790 353 P CB 0.531 32.281 31.700 0.083 0.000 0.951 354 R N 1.707 122.245 120.500 0.063 0.000 2.242 354 R HA 0.388 4.729 4.340 0.001 0.000 0.334 354 R C -1.251 175.020 176.300 -0.047 0.000 1.071 354 R CA -0.230 55.895 56.100 0.042 0.000 0.922 354 R CB -0.169 30.154 30.300 0.039 0.000 1.023 354 R HN 0.269 nan 8.270 nan 0.000 0.458 355 V N 5.783 125.617 119.914 -0.134 0.000 2.623 355 V HA 0.315 4.436 4.120 0.001 0.000 0.304 355 V C 0.031 175.861 176.094 -0.440 0.000 1.054 355 V CA -0.953 61.103 62.300 -0.406 0.000 0.882 355 V CB 1.960 33.275 31.823 -0.847 0.000 1.002 355 V HN 0.785 nan 8.190 nan 0.000 0.424 356 R N 3.645 123.936 120.500 -0.347 0.000 3.688 356 R HA 0.154 4.494 4.340 0.001 0.000 0.194 356 R C 0.122 176.288 176.300 -0.223 0.000 1.677 356 R CA -0.042 55.902 56.100 -0.260 0.000 1.351 356 R CB -0.173 29.954 30.300 -0.288 0.000 1.338 356 R HN 0.714 nan 8.270 nan 0.000 0.731 357 Y N 0.496 120.795 120.300 -0.003 0.000 2.242 357 Y HA -0.100 4.450 4.550 0.001 0.000 0.291 357 Y C 1.411 177.328 175.900 0.028 0.000 1.137 357 Y CA 0.943 59.055 58.100 0.019 0.000 1.181 357 Y CB -0.013 38.479 38.460 0.052 0.000 0.989 357 Y HN 0.216 nan 8.280 nan 0.000 0.527 358 R N 1.630 122.247 120.500 0.194 0.000 2.297 358 R HA 0.129 4.469 4.340 0.001 0.000 0.308 358 R C -0.221 176.112 176.300 0.055 0.000 1.029 358 R CA -0.385 55.811 56.100 0.159 0.000 0.929 358 R CB 0.532 30.955 30.300 0.205 0.000 1.046 358 R HN 0.151 nan 8.270 nan 0.000 0.461 359 Q N 4.305 124.136 119.800 0.053 0.000 2.293 359 Q HA 0.143 4.484 4.340 0.001 0.000 0.263 359 Q C -1.377 174.631 176.000 0.013 0.000 1.002 359 Q CA -0.205 55.605 55.803 0.012 0.000 0.910 359 Q CB 0.640 29.385 28.738 0.013 0.000 1.185 359 Q HN 0.672 nan 8.270 nan 0.000 0.401 360 C N 6.429 125.735 119.300 0.009 0.000 2.335 360 C HA 0.421 4.881 4.460 0.001 0.000 0.318 360 C C 0.221 175.194 174.990 -0.028 0.000 1.150 360 C CA -1.010 58.017 59.018 0.015 0.000 1.466 360 C CB -0.574 27.252 27.740 0.144 0.000 2.024 360 C HN 0.811 nan 8.230 nan 0.000 0.429 361 L N 3.893 125.054 121.223 -0.102 0.000 2.461 361 L HA 0.166 4.506 4.340 0.001 0.000 0.272 361 L C 0.771 177.511 176.870 -0.216 0.000 1.197 361 L CA 0.214 54.976 54.840 -0.130 0.000 0.836 361 L CB 0.514 42.479 42.059 -0.157 0.000 1.105 361 L HN 0.767 nan 8.230 nan 0.000 0.477 362 N N 0.583 119.195 118.700 -0.148 0.000 2.381 362 N HA -0.025 4.715 4.740 0.001 0.000 0.254 362 N C 0.379 175.782 175.510 -0.179 0.000 1.264 362 N CA -0.251 52.696 53.050 -0.172 0.000 0.942 362 N CB 0.279 38.772 38.487 0.011 0.000 1.190 362 N HN 0.534 nan 8.380 nan 0.000 0.495 363 W N -0.862 120.432 121.300 -0.010 0.000 2.374 363 W HA -0.129 4.532 4.660 0.001 0.000 0.288 363 W C 2.633 179.145 176.519 -0.011 0.000 1.218 363 W CA 1.208 58.552 57.345 -0.001 0.000 1.245 363 W CB -0.182 29.303 29.460 0.041 0.000 1.126 363 W HN 0.662 nan 8.180 nan 0.000 0.545 364 S N 0.065 115.892 115.700 0.211 0.000 2.371 364 S HA -0.179 4.291 4.470 0.001 0.000 0.224 364 S C 1.492 176.108 174.600 0.027 0.000 1.029 364 S CA 1.791 60.049 58.200 0.097 0.000 0.978 364 S CB -0.406 62.819 63.200 0.042 0.000 0.833 364 S HN 0.078 nan 8.310 nan 0.000 0.466 365 D N 0.671 121.062 120.400 -0.014 0.000 2.178 365 D HA -0.013 4.628 4.640 0.001 0.000 0.202 365 D C 2.017 178.219 176.300 -0.163 0.000 0.974 365 D CA 1.255 55.199 54.000 -0.093 0.000 0.841 365 D CB -0.727 40.019 40.800 -0.091 0.000 0.953 365 D HN 0.412 nan 8.370 nan 0.000 0.478 366 T N -0.057 114.437 114.554 -0.099 0.000 2.737 366 T HA -0.096 4.254 4.350 0.001 0.000 0.265 366 T C 1.999 176.684 174.700 -0.025 0.000 1.038 366 T CA 1.555 63.603 62.100 -0.087 0.000 1.144 366 T CB -0.462 68.358 68.868 -0.079 0.000 0.866 366 T HN 0.128 nan 8.240 nan 0.000 0.434 367 T N 2.089 116.676 114.554 0.055 0.000 2.788 367 T HA -0.117 4.233 4.350 0.001 0.000 0.268 367 T C 1.675 176.356 174.700 -0.032 0.000 1.044 367 T CA 1.184 63.304 62.100 0.034 0.000 1.139 367 T CB -0.506 68.383 68.868 0.036 0.000 0.867 367 T HN 0.322 nan 8.240 nan 0.000 0.454 368 D N 1.264 121.626 120.400 -0.062 0.000 2.116 368 D HA -0.116 4.524 4.640 0.001 0.000 0.193 368 D C 2.386 178.600 176.300 -0.144 0.000 0.998 368 D CA 1.049 55.009 54.000 -0.066 0.000 0.836 368 D CB -0.164 40.581 40.800 -0.092 0.000 0.951 368 D HN 0.425 nan 8.370 nan 0.000 0.449 369 R N 0.456 120.750 120.500 -0.343 0.000 2.119 369 R HA 0.046 4.387 4.340 0.001 0.000 0.222 369 R C 2.415 178.643 176.300 -0.120 0.000 1.088 369 R CA 0.307 56.214 56.100 -0.321 0.000 0.984 369 R CB -0.771 29.287 30.300 -0.404 0.000 0.884 369 R HN 0.150 nan 8.270 nan 0.000 0.447 370 V N 2.374 122.252 119.914 -0.060 0.000 2.287 370 V HA -0.231 3.890 4.120 0.001 0.000 0.248 370 V C 2.476 178.578 176.094 0.014 0.000 1.053 370 V CA 1.756 64.062 62.300 0.010 0.000 1.027 370 V CB -0.467 31.384 31.823 0.047 0.000 0.646 370 V HN 0.193 nan 8.190 nan 0.000 0.447 371 L N -0.750 120.480 121.223 0.012 0.000 2.095 371 L HA 0.018 4.359 4.340 0.001 0.000 0.204 371 L C 0.693 177.579 176.870 0.026 0.000 1.080 371 L CA 1.193 56.061 54.840 0.046 0.000 0.759 371 L CB -0.173 41.931 42.059 0.074 0.000 0.914 371 L HN 0.340 nan 8.230 nan 0.000 0.439 372 D N -0.748 119.668 120.400 0.026 0.000 2.886 372 D HA 0.138 4.778 4.640 0.001 0.000 0.355 372 D C -1.755 174.546 176.300 0.001 0.000 1.274 372 D CA -0.975 53.033 54.000 0.014 0.000 0.836 372 D CB 0.831 41.678 40.800 0.079 0.000 1.109 372 D HN 0.093 nan 8.370 nan 0.000 0.488 373 P HA -0.158 nan 4.420 nan 0.000 0.218 373 P C 1.341 178.434 177.300 -0.345 0.000 1.148 373 P CA 0.744 63.629 63.100 -0.358 0.000 0.822 373 P CB 0.459 31.592 31.700 -0.944 0.000 0.784 374 R N -0.065 120.170 120.500 -0.441 0.000 2.189 374 R HA 0.039 4.380 4.340 0.001 0.000 0.223 374 R C 2.309 178.533 176.300 -0.126 0.000 1.092 374 R CA 1.092 57.074 56.100 -0.198 0.000 0.989 374 R CB -0.704 29.532 30.300 -0.106 0.000 0.876 374 R HN 0.150 nan 8.270 nan 0.000 0.457 375 A N -0.032 122.699 122.820 -0.148 0.000 2.206 375 A HA -0.048 4.272 4.320 0.001 0.000 0.211 375 A C -0.049 177.196 177.584 -0.566 0.000 1.158 375 A CA 0.594 52.434 52.037 -0.328 0.000 0.761 375 A CB 0.038 18.801 19.000 -0.396 0.000 0.801 375 A HN 0.267 nan 8.150 nan 0.000 0.473 376 Y N -1.329 118.919 120.300 -0.088 0.000 2.705 376 Y HA 0.338 4.888 4.550 0.001 0.000 0.355 376 Y C -2.183 173.684 175.900 -0.054 0.000 1.039 376 Y CA -2.121 55.944 58.100 -0.060 0.000 1.233 376 Y CB 1.143 39.565 38.460 -0.063 0.000 1.103 376 Y HN 0.127 nan 8.280 nan 0.000 0.624 377 P HA -0.150 nan 4.420 nan 0.000 0.230 377 P C 1.362 178.647 177.300 -0.026 0.000 1.158 377 P CA 1.048 64.097 63.100 -0.085 0.000 0.769 377 P CB 0.389 32.017 31.700 -0.120 0.000 0.807 378 E N 0.265 120.525 120.200 0.101 0.000 2.333 378 E HA -0.159 4.191 4.350 0.001 0.000 0.198 378 E C 1.242 177.918 176.600 0.127 0.000 1.007 378 E CA 1.821 58.300 56.400 0.132 0.000 0.845 378 E CB -1.521 28.243 29.700 0.107 0.000 0.766 378 E HN 0.307 nan 8.360 nan 0.000 0.507 379 T N -1.077 113.559 114.554 0.137 0.000 3.035 379 T HA -0.015 4.336 4.350 0.001 0.000 0.268 379 T C 1.140 176.026 174.700 0.311 0.000 1.109 379 T CA -0.092 62.118 62.100 0.184 0.000 1.119 379 T CB -0.275 68.694 68.868 0.169 0.000 0.900 379 T HN 0.034 nan 8.240 nan 0.000 0.503 380 R N 0.853 121.522 120.500 0.282 0.000 2.538 380 R HA 0.219 4.559 4.340 0.001 0.000 0.282 380 R C 0.792 177.142 176.300 0.084 0.000 1.009 380 R CA -0.088 56.123 56.100 0.185 0.000 1.063 380 R CB 0.419 30.751 30.300 0.054 0.000 0.945 380 R HN 0.353 nan 8.270 nan 0.000 0.414 381 L N 2.725 123.917 121.223 -0.051 0.000 2.585 381 L HA 0.163 4.504 4.340 0.001 0.000 0.226 381 L C -0.278 176.214 176.870 -0.630 0.000 1.113 381 L CA 0.360 55.048 54.840 -0.254 0.000 0.876 381 L CB 0.222 42.129 42.059 -0.255 0.000 1.072 381 L HN 0.547 nan 8.230 nan 0.000 0.468 382 Y N -1.338 118.949 120.300 -0.021 0.000 2.609 382 Y HA 0.416 4.967 4.550 0.001 0.000 0.342 382 Y C -2.119 173.823 175.900 0.070 0.000 1.058 382 Y CA -2.981 55.115 58.100 -0.006 0.000 1.055 382 Y CB 0.318 38.740 38.460 -0.063 0.000 1.292 382 Y HN -0.226 nan 8.280 nan 0.000 0.476 383 P HA -0.050 nan 4.420 nan 0.000 0.257 383 P C -0.743 176.700 177.300 0.238 0.000 1.162 383 P CA 0.734 63.935 63.100 0.169 0.000 0.762 383 P CB -0.043 31.718 31.700 0.102 0.000 0.753 384 H N 3.758 122.869 119.070 0.068 0.000 2.790 384 H HA 0.112 4.668 4.556 0.001 0.000 0.358 384 H C -0.795 174.569 175.328 0.061 0.000 1.103 384 H CA -1.484 54.611 56.048 0.078 0.000 1.426 384 H CB -0.128 29.677 29.762 0.072 0.000 1.424 384 H HN 0.500 nan 8.280 nan 0.000 0.599 385 P HA 0.000 nan 4.420 nan 0.000 0.216 385 P CA 0.000 63.168 63.100 0.114 0.000 0.800 385 P CB 0.000 31.755 31.700 0.091 0.000 0.726