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 3c9f_1_B DATA FIRST_RESID 16 DATA SEQUENCE SFPHRNLTWN DINFVHTTDT HGWYSGHINQ PLYHANWGDF ISFTTHMRRI DATA SEQUENCE AHSRNQDLLL IDSGDRHDGN GLSDITSPNG LKSTPIFIKQ DYDLLTIGNH DATA SEQUENCE ELYLWENSKQ EYETVVNHFQ DKYVCSNVDI RLDNGLFVPL GLKYKYFTTP DATA SEQUENCE IRGIRVMAFG FLFDFKRFNS GTRVTPMAET IHEPWFQEAL KHEVDLIIIV DATA SEQUENCE GHTPISHNWG EFYQVHQYLR QFFPDTIIQY FGGHSHIRDF TVFDSLSTGL DATA SEQUENCE QSGRYCETVG WTSVNLDKAD LNLPVRQRFS RSYIDFNTDS FKYHTNLDKE DATA SEQUENCE FDTAKGKLVS KLIRETRKEL KLDTLIGYVK TNYYVDYVPI DHPKSIFNLL DATA SEQUENCE ALKILKTLPK SKHEERITII NTGSIRYDLY KGPYTIDSKF IVSPFENIWV DATA SEQUENCE NITVPKSVAT KVAAKLNDXX XISASRLKPP HQYDLQVQXL STSPHQAHFE DATA SEQUENCE MQEKLPKGYV THDDFGADGD DTLHRAVVNF PVPNVIQSVE INDEVDSPVN DATA SEQUENCE LVFYSFITPN IIWALKELNF STEQVPTPYS DIYLGTLLNE FVAN 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 16 S HA 0.000 nan 4.470 nan 0.000 0.327 16 S C 0.000 174.336 174.600 -0.440 0.000 1.055 16 S CA 0.000 57.899 58.200 -0.502 0.000 1.107 16 S CB 0.000 63.066 63.200 -0.224 0.000 0.593 17 F N 3.963 123.787 119.950 -0.210 0.000 2.432 17 F HA 0.617 5.144 4.527 -0.000 0.000 0.329 17 F C -1.936 173.464 175.800 -0.665 0.000 1.076 17 F CA -2.323 55.449 58.000 -0.380 0.000 1.018 17 F CB 0.363 39.135 39.000 -0.379 0.000 1.201 17 F HN 0.259 nan 8.300 nan 0.000 0.489 18 P HA 0.174 nan 4.420 nan 0.000 0.276 18 P C -0.908 176.002 177.300 -0.649 0.000 1.235 18 P CA 0.135 62.990 63.100 -0.409 0.000 0.772 18 P CB 0.529 32.100 31.700 -0.214 0.000 0.871 19 H N 1.935 120.783 119.070 -0.370 0.000 2.621 19 H HA 0.420 4.975 4.556 -0.001 0.000 0.360 19 H C 0.545 175.701 175.328 -0.286 0.000 1.163 19 H CA -0.592 55.161 56.048 -0.491 0.000 1.194 19 H CB 1.944 30.978 29.762 -1.213 0.000 1.649 19 H HN 0.286 nan 8.280 nan 0.000 0.532 20 R N 1.475 121.991 120.500 0.027 0.000 2.457 20 R HA 0.230 4.569 4.340 -0.000 0.000 0.284 20 R C -0.217 176.232 176.300 0.249 0.000 1.024 20 R CA -0.599 55.562 56.100 0.101 0.000 1.025 20 R CB 0.914 31.258 30.300 0.074 0.000 1.063 20 R HN 0.614 nan 8.270 nan 0.000 0.493 21 N N 1.464 120.320 118.700 0.261 0.000 2.529 21 N HA 0.166 4.906 4.740 -0.000 0.000 0.278 21 N C -0.362 175.244 175.510 0.161 0.000 1.146 21 N CA -0.398 52.846 53.050 0.324 0.000 0.980 21 N CB 0.825 39.472 38.487 0.267 0.000 1.124 21 N HN 0.181 nan 8.380 nan 0.000 0.458 22 L N 1.225 122.481 121.223 0.055 0.000 2.439 22 L HA 0.192 4.532 4.340 -0.000 0.000 0.269 22 L C 0.404 177.333 176.870 0.097 0.000 1.179 22 L CA -0.073 54.638 54.840 -0.214 0.000 0.828 22 L CB 0.347 41.852 42.059 -0.924 0.000 1.106 22 L HN 0.492 nan 8.230 nan 0.000 0.467 23 T N 0.540 115.203 114.554 0.183 0.000 2.767 23 T HA 0.326 4.676 4.350 -0.000 0.000 0.284 23 T C -0.643 174.323 174.700 0.445 0.000 0.973 23 T CA -0.374 61.924 62.100 0.331 0.000 0.996 23 T CB 0.448 69.471 68.868 0.259 0.000 0.927 23 T HN 0.257 nan 8.240 nan 0.000 0.456 24 W N 2.681 124.157 121.300 0.293 0.000 2.448 24 W HA 0.656 5.315 4.660 -0.000 0.000 0.339 24 W C 0.727 177.344 176.519 0.163 0.000 1.124 24 W CA -0.458 57.080 57.345 0.323 0.000 1.262 24 W CB 0.696 30.294 29.460 0.230 0.000 1.251 24 W HN 0.478 nan 8.180 nan 0.000 0.597 25 N N -0.266 118.619 118.700 0.307 0.000 3.364 25 N HA 0.059 4.798 4.740 -0.000 0.000 0.294 25 N C 0.397 175.952 175.510 0.074 0.000 1.562 25 N CA -0.422 52.717 53.050 0.147 0.000 0.862 25 N CB 1.043 39.574 38.487 0.074 0.000 1.691 25 N HN 0.298 nan 8.380 nan 0.000 0.572 26 D N 0.604 121.014 120.400 0.016 0.000 2.157 26 D HA -0.107 4.533 4.640 -0.000 0.000 0.191 26 D C 0.629 176.888 176.300 -0.068 0.000 1.004 26 D CA 1.544 55.534 54.000 -0.017 0.000 0.854 26 D CB 0.393 41.173 40.800 -0.034 0.000 0.936 26 D HN 0.431 nan 8.370 nan 0.000 0.446 27 I N 0.218 120.700 120.570 -0.148 0.000 2.545 27 I HA 0.180 4.349 4.170 -0.000 0.000 0.292 27 I C -1.285 174.524 176.117 -0.513 0.000 1.040 27 I CA -0.693 60.411 61.300 -0.326 0.000 1.068 27 I CB 1.490 39.261 38.000 -0.382 0.000 1.251 27 I HN -0.242 nan 8.210 nan 0.000 0.424 28 N N 6.646 124.960 118.700 -0.643 0.000 2.319 28 N HA 0.510 5.250 4.740 -0.000 0.000 0.305 28 N C -1.643 173.259 175.510 -1.012 0.000 1.103 28 N CA -0.301 52.233 53.050 -0.861 0.000 0.815 28 N CB 1.998 40.056 38.487 -0.715 0.000 1.288 28 N HN 0.286 nan 8.380 nan 0.000 0.493 29 F N 0.195 119.774 119.950 -0.619 0.000 2.540 29 F HA 0.421 4.948 4.527 -0.000 0.000 0.317 29 F C 0.111 175.751 175.800 -0.265 0.000 1.104 29 F CA -0.865 56.943 58.000 -0.319 0.000 0.913 29 F CB 1.706 40.668 39.000 -0.063 0.000 1.170 29 F HN -0.021 nan 8.300 nan 0.000 0.450 30 V N 3.112 123.097 119.914 0.117 0.000 2.417 30 V HA 0.354 4.474 4.120 -0.000 0.000 0.291 30 V C -0.724 175.580 176.094 0.350 0.000 1.024 30 V CA -0.602 61.864 62.300 0.276 0.000 0.861 30 V CB 1.536 33.488 31.823 0.215 0.000 0.985 30 V HN 0.795 nan 8.190 nan 0.000 0.436 31 H N 3.385 122.647 119.070 0.319 0.000 2.689 31 H HA 0.614 5.170 4.556 -0.000 0.000 0.346 31 H C -0.708 174.850 175.328 0.382 0.000 1.037 31 H CA -0.344 55.883 56.048 0.298 0.000 1.234 31 H CB 2.069 32.018 29.762 0.312 0.000 1.572 31 H HN 0.757 nan 8.280 nan 0.000 0.524 32 T N 1.799 116.409 114.554 0.093 0.000 2.932 32 T HA 0.519 4.869 4.350 -0.000 0.000 0.289 32 T C -0.296 174.307 174.700 -0.162 0.000 1.039 32 T CA -0.944 61.196 62.100 0.065 0.000 1.024 32 T CB 2.363 71.525 68.868 0.490 0.000 1.090 32 T HN 0.541 nan 8.240 nan 0.000 0.496 33 T N 0.077 114.599 114.554 -0.053 0.000 2.886 33 T HA 0.380 4.730 4.350 -0.000 0.000 0.330 33 T C -1.456 173.265 174.700 0.036 0.000 1.488 33 T CA -0.329 61.778 62.100 0.011 0.000 1.054 33 T CB 0.841 69.724 68.868 0.025 0.000 1.348 33 T HN 0.862 nan 8.240 nan 0.000 0.489 34 D N 1.824 122.255 120.400 0.051 0.000 2.723 34 D HA -0.168 4.472 4.640 -0.000 0.000 0.236 34 D C 1.321 177.621 176.300 -0.001 0.000 1.138 34 D CA 1.385 55.374 54.000 -0.020 0.000 0.676 34 D CB -1.007 39.844 40.800 0.086 0.000 1.069 34 D HN 0.842 nan 8.370 nan 0.000 0.430 35 T N -3.582 110.953 114.554 -0.032 0.000 2.867 35 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 35 T C 1.035 175.780 174.700 0.075 0.000 1.057 35 T CA 1.179 63.306 62.100 0.045 0.000 1.136 35 T CB -0.108 68.826 68.868 0.109 0.000 0.874 35 T HN 0.482 nan 8.240 nan 0.000 0.466 36 H N 1.385 120.430 119.070 -0.042 0.000 2.741 36 H HA -0.178 4.378 4.556 -0.000 0.000 0.305 36 H C 1.493 176.612 175.328 -0.350 0.000 1.169 36 H CA 0.875 56.870 56.048 -0.087 0.000 1.144 36 H CB -1.879 27.954 29.762 0.119 0.000 1.397 36 H HN 0.903 nan 8.280 nan 0.000 0.409 37 G N -1.188 107.258 108.800 -0.590 0.000 2.162 37 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 37 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 37 G C 0.482 174.694 174.900 -1.147 0.000 0.976 37 G CA 0.400 44.932 45.100 -0.946 0.000 0.655 37 G HN 0.528 nan 8.290 nan 0.000 0.533 38 W N 0.827 121.509 121.300 -1.031 0.000 3.310 38 W HA 0.531 5.191 4.660 -0.001 0.000 0.395 38 W C 1.187 177.359 176.519 -0.578 0.000 1.059 38 W CA -0.401 56.513 57.345 -0.719 0.000 1.845 38 W CB -0.514 28.634 29.460 -0.520 0.000 0.908 38 W HN 0.378 nan 8.180 nan 0.000 0.798 39 Y N -1.330 118.915 120.300 -0.091 0.000 2.583 39 Y HA -0.091 4.459 4.550 -0.000 0.000 0.293 39 Y C 2.080 178.064 175.900 0.140 0.000 1.157 39 Y CA 0.387 58.486 58.100 -0.002 0.000 1.315 39 Y CB -0.902 37.419 38.460 -0.233 0.000 1.021 39 Y HN -0.076 nan 8.280 nan 0.000 0.536 40 S N -0.877 114.886 115.700 0.106 0.000 2.528 40 S HA 0.375 4.845 4.470 -0.000 0.000 0.219 40 S C 1.201 175.860 174.600 0.098 0.000 0.985 40 S CA 0.467 58.718 58.200 0.086 0.000 0.914 40 S CB -0.289 62.886 63.200 -0.042 0.000 0.776 40 S HN 0.684 nan 8.310 nan 0.000 0.526 41 G N 1.173 110.068 108.800 0.157 0.000 2.746 41 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.685 41 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.685 41 G C -0.971 174.076 174.900 0.246 0.000 1.350 41 G CA -0.907 44.313 45.100 0.199 0.000 0.837 41 G HN 0.446 nan 8.290 nan 0.000 0.564 42 H N -0.557 118.634 119.070 0.202 0.000 2.467 42 H HA 0.496 5.051 4.556 -0.000 0.000 0.331 42 H C 1.340 176.843 175.328 0.292 0.000 1.120 42 H CA -0.122 56.093 56.048 0.279 0.000 1.270 42 H CB 1.701 31.596 29.762 0.222 0.000 1.466 42 H HN 0.357 nan 8.280 nan 0.000 0.504 43 I N 1.462 122.231 120.570 0.332 0.000 2.556 43 I HA -0.134 4.036 4.170 -0.000 0.000 0.251 43 I C 1.119 177.328 176.117 0.154 0.000 1.105 43 I CA 0.745 62.198 61.300 0.256 0.000 1.436 43 I CB 0.005 38.096 38.000 0.151 0.000 1.139 43 I HN 0.524 nan 8.210 nan 0.000 0.438 44 N N 0.083 118.827 118.700 0.073 0.000 2.412 44 N HA 0.030 4.770 4.740 -0.000 0.000 0.184 44 N C -0.124 175.267 175.510 -0.199 0.000 1.101 44 N CA 0.272 53.202 53.050 -0.201 0.000 0.881 44 N CB 0.335 38.404 38.487 -0.695 0.000 0.969 44 N HN 0.294 nan 8.380 nan 0.000 0.459 45 Q N 0.635 120.464 119.800 0.050 0.000 2.607 45 Q HA 0.194 4.534 4.340 -0.000 0.000 0.247 45 Q C -1.994 174.017 176.000 0.018 0.000 1.033 45 Q CA -1.729 54.090 55.803 0.027 0.000 0.769 45 Q CB 1.679 30.515 28.738 0.162 0.000 1.169 45 Q HN 0.156 nan 8.270 nan 0.000 0.508 46 P HA -0.161 nan 4.420 nan 0.000 0.228 46 P C 1.100 178.369 177.300 -0.051 0.000 1.151 46 P CA 0.543 63.636 63.100 -0.012 0.000 0.770 46 P CB 0.409 32.068 31.700 -0.068 0.000 0.786 47 L N -1.156 119.893 121.223 -0.291 0.000 2.265 47 L HA -0.082 4.258 4.340 -0.000 0.000 0.215 47 L C 0.853 177.441 176.870 -0.471 0.000 1.117 47 L CA 1.690 56.227 54.840 -0.505 0.000 0.782 47 L CB -1.021 40.447 42.059 -0.985 0.000 0.914 47 L HN -0.078 nan 8.230 nan 0.000 0.441 48 Y N -3.064 117.231 120.300 -0.008 0.000 2.672 48 Y HA 0.228 4.778 4.550 -0.000 0.000 0.272 48 Y C 1.411 177.414 175.900 0.172 0.000 1.055 48 Y CA -0.695 57.388 58.100 -0.029 0.000 1.151 48 Y CB -0.846 37.327 38.460 -0.480 0.000 1.190 48 Y HN 0.145 nan 8.280 nan 0.000 0.574 49 H N 0.576 119.768 119.070 0.203 0.000 2.512 49 H HA 0.426 4.982 4.556 -0.000 0.000 0.279 49 H C 1.108 176.605 175.328 0.283 0.000 0.999 49 H CA 0.457 56.639 56.048 0.222 0.000 1.283 49 H CB 0.352 30.194 29.762 0.134 0.000 1.421 49 H HN 0.317 nan 8.280 nan 0.000 0.554 50 A N 0.707 123.726 122.820 0.332 0.000 2.445 50 A HA 0.264 4.584 4.320 -0.000 0.000 0.242 50 A C 0.331 178.254 177.584 0.565 0.000 1.075 50 A CA 0.005 52.279 52.037 0.395 0.000 0.777 50 A CB -0.040 19.151 19.000 0.319 0.000 1.013 50 A HN 0.812 nan 8.150 nan 0.000 0.493 51 N N -0.569 118.450 118.700 0.532 0.000 2.671 51 N HA 0.193 4.933 4.740 -0.000 0.000 0.303 51 N C 0.724 176.725 175.510 0.819 0.000 1.277 51 N CA -0.812 52.580 53.050 0.570 0.000 0.933 51 N CB 0.404 39.102 38.487 0.352 0.000 1.190 51 N HN 0.747 nan 8.380 nan 0.000 0.600 52 W N -0.285 121.328 121.300 0.521 0.000 2.392 52 W HA -0.002 4.658 4.660 -0.000 0.000 0.279 52 W C 1.587 178.349 176.519 0.404 0.000 1.225 52 W CA 1.254 58.934 57.345 0.558 0.000 1.233 52 W CB -0.199 29.509 29.460 0.413 0.000 1.122 52 W HN 0.806 nan 8.180 nan 0.000 0.561 53 G N 0.292 109.347 108.800 0.425 0.000 2.402 53 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.216 53 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.216 53 G C 1.096 176.115 174.900 0.198 0.000 1.162 53 G CA 1.224 46.460 45.100 0.227 0.000 0.777 53 G HN 0.141 nan 8.290 nan 0.000 0.539 54 D N 0.227 120.847 120.400 0.367 0.000 2.144 54 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 54 D C 1.968 178.519 176.300 0.419 0.000 0.984 54 D CA 0.565 54.873 54.000 0.512 0.000 0.834 54 D CB -0.328 40.874 40.800 0.670 0.000 0.955 54 D HN 0.293 nan 8.370 nan 0.000 0.465 55 F N 1.523 121.533 119.950 0.099 0.000 2.186 55 F HA -0.045 4.482 4.527 -0.000 0.000 0.299 55 F C 2.109 177.686 175.800 -0.371 0.000 1.090 55 F CA 0.586 58.388 58.000 -0.329 0.000 1.307 55 F CB -0.429 38.356 39.000 -0.358 0.000 1.019 55 F HN -0.155 nan 8.300 nan 0.000 0.489 56 I N -0.708 119.577 120.570 -0.476 0.000 2.226 56 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 56 I C 2.491 178.316 176.117 -0.486 0.000 1.100 56 I CA 1.409 62.370 61.300 -0.565 0.000 1.374 56 I CB -0.680 37.097 38.000 -0.371 0.000 1.057 56 I HN 0.012 nan 8.210 nan 0.000 0.413 57 S N 0.644 116.117 115.700 -0.378 0.000 2.356 57 S HA -0.209 4.261 4.470 -0.000 0.000 0.223 57 S C 1.880 176.116 174.600 -0.607 0.000 1.032 57 S CA 1.426 59.272 58.200 -0.591 0.000 1.005 57 S CB -0.493 62.278 63.200 -0.715 0.000 0.867 57 S HN 0.409 nan 8.310 nan 0.000 0.449 58 F N 3.035 122.730 119.950 -0.425 0.000 2.065 58 F HA -0.230 4.297 4.527 -0.001 0.000 0.298 58 F C 2.689 178.293 175.800 -0.326 0.000 1.112 58 F CA 2.102 59.969 58.000 -0.222 0.000 1.212 58 F CB -1.274 37.344 39.000 -0.637 0.000 0.975 58 F HN 0.326 nan 8.300 nan 0.000 0.476 59 T N -3.416 110.735 114.554 -0.671 0.000 2.951 59 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 59 T C 1.909 176.280 174.700 -0.549 0.000 1.073 59 T CA 1.478 63.143 62.100 -0.725 0.000 1.134 59 T CB -1.114 67.290 68.868 -0.773 0.000 0.884 59 T HN 0.289 nan 8.240 nan 0.000 0.479 60 T N 1.573 115.794 114.554 -0.555 0.000 2.652 60 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 60 T C 1.819 176.267 174.700 -0.420 0.000 1.039 60 T CA 1.731 63.529 62.100 -0.502 0.000 1.153 60 T CB -0.496 68.013 68.868 -0.598 0.000 0.863 60 T HN 0.570 nan 8.240 nan 0.000 0.428 61 H N 0.464 119.367 119.070 -0.279 0.000 2.357 61 H HA 0.115 4.671 4.556 -0.000 0.000 0.301 61 H C 2.408 177.632 175.328 -0.173 0.000 1.082 61 H CA 0.989 56.923 56.048 -0.191 0.000 1.342 61 H CB -0.391 29.306 29.762 -0.109 0.000 1.389 61 H HN 0.278 nan 8.280 nan 0.000 0.511 62 M N 0.316 119.821 119.600 -0.158 0.000 2.117 62 M HA -0.131 4.349 4.480 -0.000 0.000 0.262 62 M C 2.358 178.656 176.300 -0.003 0.000 1.065 62 M CA 1.081 56.345 55.300 -0.061 0.000 1.114 62 M CB -0.805 31.564 32.600 -0.385 0.000 1.361 62 M HN 0.180 nan 8.290 nan 0.000 0.408 63 R N 0.021 120.399 120.500 -0.203 0.000 2.081 63 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 63 R C 2.356 178.382 176.300 -0.456 0.000 1.131 63 R CA 1.302 57.201 56.100 -0.335 0.000 0.960 63 R CB -0.003 30.055 30.300 -0.403 0.000 0.856 63 R HN 0.336 nan 8.270 nan 0.000 0.436 64 R N 0.066 120.396 120.500 -0.284 0.000 2.091 64 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 64 R C 2.303 178.528 176.300 -0.124 0.000 1.136 64 R CA 1.675 57.664 56.100 -0.185 0.000 0.959 64 R CB -0.370 29.876 30.300 -0.090 0.000 0.856 64 R HN 0.264 nan 8.270 nan 0.000 0.437 65 I N 0.539 121.046 120.570 -0.105 0.000 2.179 65 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 65 I C 2.660 178.672 176.117 -0.174 0.000 1.088 65 I CA 1.272 62.453 61.300 -0.197 0.000 1.357 65 I CB -0.499 37.299 38.000 -0.336 0.000 1.051 65 I HN 0.204 nan 8.210 nan 0.000 0.409 66 A N 0.449 123.305 122.820 0.060 0.000 1.873 66 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 66 A C 2.147 179.823 177.584 0.154 0.000 1.193 66 A CA 2.038 54.200 52.037 0.208 0.000 0.629 66 A CB -1.394 17.761 19.000 0.257 0.000 0.826 66 A HN 0.519 nan 8.150 nan 0.000 0.447 67 H N -0.181 118.893 119.070 0.007 0.000 2.387 67 H HA -0.096 4.459 4.556 -0.000 0.000 0.299 67 H C 2.626 177.931 175.328 -0.039 0.000 1.090 67 H CA 1.154 57.190 56.048 -0.021 0.000 1.332 67 H CB 0.018 29.763 29.762 -0.029 0.000 1.386 67 H HN 0.714 nan 8.280 nan 0.000 0.516 68 S N 1.087 116.823 115.700 0.060 0.000 2.469 68 S HA -0.092 4.378 4.470 -0.000 0.000 0.238 68 S C 1.733 176.309 174.600 -0.040 0.000 0.998 68 S CA 0.721 58.912 58.200 -0.014 0.000 0.957 68 S CB -0.034 63.129 63.200 -0.063 0.000 0.764 68 S HN 0.370 nan 8.310 nan 0.000 0.514 69 R N 0.820 121.297 120.500 -0.038 0.000 2.427 69 R HA 0.280 4.619 4.340 -0.000 0.000 0.262 69 R C 0.019 176.322 176.300 0.004 0.000 0.943 69 R CA 0.192 56.268 56.100 -0.041 0.000 1.081 69 R CB -0.211 30.041 30.300 -0.079 0.000 1.166 69 R HN 0.443 nan 8.270 nan 0.000 0.534 70 N N 2.003 120.713 118.700 0.018 0.000 2.758 70 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 70 N C -1.363 174.164 175.510 0.029 0.000 1.076 70 N CA 0.862 53.919 53.050 0.012 0.000 0.696 70 N CB -0.631 37.852 38.487 -0.006 0.000 0.979 70 N HN 0.388 nan 8.380 nan 0.000 0.550 71 Q N -0.323 119.523 119.800 0.076 0.000 2.394 71 Q HA 0.436 4.776 4.340 -0.000 0.000 0.273 71 Q C -1.038 175.032 176.000 0.117 0.000 1.089 71 Q CA -0.948 54.907 55.803 0.087 0.000 0.812 71 Q CB 1.545 30.372 28.738 0.149 0.000 1.353 71 Q HN 0.198 nan 8.270 nan 0.000 0.438 72 D N 1.178 121.596 120.400 0.031 0.000 2.294 72 D HA 0.487 5.127 4.640 -0.000 0.000 0.250 72 D C -1.084 175.184 176.300 -0.053 0.000 1.058 72 D CA -0.254 53.758 54.000 0.021 0.000 0.950 72 D CB 1.631 42.400 40.800 -0.051 0.000 1.158 72 D HN 0.231 nan 8.370 nan 0.000 0.453 73 L N 1.907 123.105 121.223 -0.042 0.000 2.470 73 L HA 0.402 4.741 4.340 -0.000 0.000 0.268 73 L C -1.671 175.119 176.870 -0.133 0.000 0.964 73 L CA -0.476 54.272 54.840 -0.155 0.000 0.839 73 L CB 1.387 43.389 42.059 -0.094 0.000 1.276 73 L HN 0.212 nan 8.230 nan 0.000 0.403 74 L N 5.235 126.349 121.223 -0.181 0.000 2.346 74 L HA 0.538 4.877 4.340 -0.000 0.000 0.274 74 L C -1.143 175.723 176.870 -0.006 0.000 1.007 74 L CA -0.916 53.903 54.840 -0.035 0.000 0.818 74 L CB 1.970 44.101 42.059 0.120 0.000 1.284 74 L HN 0.457 nan 8.230 nan 0.000 0.424 75 L N 4.167 125.371 121.223 -0.032 0.000 2.282 75 L HA 0.546 4.886 4.340 -0.000 0.000 0.288 75 L C -0.290 176.682 176.870 0.171 0.000 1.033 75 L CA 0.168 55.004 54.840 -0.007 0.000 0.807 75 L CB 1.447 43.343 42.059 -0.271 0.000 1.209 75 L HN 0.358 nan 8.230 nan 0.000 0.423 76 I N 2.043 122.767 120.570 0.256 0.000 2.498 76 I HA 0.361 4.531 4.170 -0.000 0.000 0.290 76 I C -1.009 175.338 176.117 0.383 0.000 1.032 76 I CA -0.612 60.800 61.300 0.186 0.000 1.073 76 I CB 2.363 40.182 38.000 -0.302 0.000 1.251 76 I HN 0.510 nan 8.210 nan 0.000 0.426 77 D N 2.769 123.218 120.400 0.083 0.000 2.505 77 D HA 0.363 5.003 4.640 -0.000 0.000 0.249 77 D C -0.225 176.095 176.300 0.034 0.000 1.082 77 D CA -0.297 53.701 54.000 -0.003 0.000 0.839 77 D CB 1.755 42.327 40.800 -0.380 0.000 1.317 77 D HN 0.345 nan 8.370 nan 0.000 0.497 78 S N 1.950 117.759 115.700 0.181 0.000 2.583 78 S HA 0.548 5.018 4.470 -0.000 0.000 0.239 78 S C 0.497 175.239 174.600 0.238 0.000 0.966 78 S CA 0.046 58.399 58.200 0.256 0.000 0.973 78 S CB 0.001 63.481 63.200 0.467 0.000 0.794 78 S HN 0.874 nan 8.310 nan 0.000 0.463 79 G N 1.390 110.204 108.800 0.023 0.000 2.631 79 G HA2 0.074 4.034 3.960 -0.000 0.000 0.504 79 G HA3 0.074 4.034 3.960 -0.000 0.000 0.504 79 G C -1.360 173.416 174.900 -0.206 0.000 1.306 79 G CA -0.614 44.405 45.100 -0.135 0.000 0.897 79 G HN 0.173 nan 8.290 nan 0.000 0.520 80 D N -1.157 119.035 120.400 -0.345 0.000 3.437 80 D HA -0.115 4.525 4.640 -0.000 0.000 0.243 80 D C 1.158 177.178 176.300 -0.467 0.000 1.104 80 D CA 1.261 55.052 54.000 -0.349 0.000 1.009 80 D CB -0.401 40.199 40.800 -0.334 0.000 0.937 80 D HN 0.736 nan 8.370 nan 0.000 0.417 81 R N 0.395 120.643 120.500 -0.420 0.000 2.432 81 R HA 0.162 4.502 4.340 -0.000 0.000 0.260 81 R C 0.176 176.016 176.300 -0.767 0.000 0.935 81 R CA 0.031 55.759 56.100 -0.621 0.000 1.080 81 R CB 0.496 30.292 30.300 -0.839 0.000 1.155 81 R HN 0.441 nan 8.270 nan 0.000 0.531 82 H N -1.179 117.834 119.070 -0.094 0.000 2.931 82 H HA 0.286 4.842 4.556 -0.000 0.000 0.331 82 H C -1.010 174.372 175.328 0.090 0.000 1.273 82 H CA -1.159 54.872 56.048 -0.029 0.000 1.171 82 H CB 0.956 30.721 29.762 0.005 0.000 1.898 82 H HN -0.154 nan 8.280 nan 0.000 0.562 83 D N 0.100 120.597 120.400 0.163 0.000 3.515 83 D HA -0.041 4.598 4.640 -0.000 0.000 0.247 83 D C 0.522 176.742 176.300 -0.133 0.000 1.084 83 D CA 1.697 55.735 54.000 0.064 0.000 1.030 83 D CB -1.214 39.748 40.800 0.271 0.000 0.946 83 D HN 1.067 nan 8.370 nan 0.000 0.420 84 G N 0.568 109.218 108.800 -0.249 0.000 3.800 84 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.221 84 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.221 84 G C -0.254 174.294 174.900 -0.588 0.000 0.893 84 G CA -0.059 44.813 45.100 -0.381 0.000 0.986 84 G HN 0.505 nan 8.290 nan 0.000 0.719 85 N N -0.569 117.810 118.700 -0.536 0.000 2.647 85 N HA 0.309 5.049 4.740 -0.000 0.000 0.259 85 N C 1.240 176.404 175.510 -0.575 0.000 1.098 85 N CA 0.283 52.886 53.050 -0.745 0.000 0.984 85 N CB 1.230 39.066 38.487 -1.084 0.000 1.683 85 N HN 0.171 nan 8.380 nan 0.000 0.501 86 G N 1.756 110.207 108.800 -0.581 0.000 2.450 86 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 86 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 86 G C 1.377 175.895 174.900 -0.636 0.000 1.130 86 G CA 0.794 45.402 45.100 -0.820 0.000 0.760 86 G HN 0.483 nan 8.290 nan 0.000 0.557 87 L N 1.804 122.740 121.223 -0.478 0.000 2.042 87 L HA -0.116 4.223 4.340 -0.000 0.000 0.210 87 L C 3.099 179.804 176.870 -0.276 0.000 1.076 87 L CA 2.727 57.369 54.840 -0.330 0.000 0.749 87 L CB -0.392 41.496 42.059 -0.285 0.000 0.893 87 L HN 0.352 nan 8.230 nan 0.000 0.432 88 S N -2.591 112.927 115.700 -0.303 0.000 2.458 88 S HA 0.007 4.477 4.470 -0.000 0.000 0.223 88 S C 1.342 175.835 174.600 -0.179 0.000 1.019 88 S CA 0.595 58.696 58.200 -0.165 0.000 0.937 88 S CB -0.262 62.865 63.200 -0.120 0.000 0.788 88 S HN 0.462 nan 8.310 nan 0.000 0.511 89 D N 0.901 121.092 120.400 -0.349 0.000 2.392 89 D HA 0.301 4.941 4.640 -0.000 0.000 0.206 89 D C 1.536 177.574 176.300 -0.437 0.000 1.046 89 D CA -0.028 53.787 54.000 -0.307 0.000 0.865 89 D CB -0.121 40.564 40.800 -0.191 0.000 0.969 89 D HN 0.379 nan 8.370 nan 0.000 0.509 90 I N 1.375 121.502 120.570 -0.738 0.000 2.493 90 I HA -0.115 4.055 4.170 -0.000 0.000 0.254 90 I C 0.597 176.597 176.117 -0.195 0.000 1.160 90 I CA 0.825 61.782 61.300 -0.572 0.000 1.445 90 I CB 0.110 37.755 38.000 -0.591 0.000 1.086 90 I HN -0.029 nan 8.210 nan 0.000 0.433 91 T N -2.215 112.236 114.554 -0.173 0.000 2.899 91 T HA 0.291 4.641 4.350 -0.000 0.000 0.284 91 T C 0.011 174.676 174.700 -0.058 0.000 1.004 91 T CA -0.582 61.462 62.100 -0.092 0.000 1.043 91 T CB 1.707 70.523 68.868 -0.087 0.000 1.013 91 T HN 0.039 nan 8.240 nan 0.000 0.518 92 S N 2.831 118.512 115.700 -0.033 0.000 2.640 92 S HA 0.551 5.020 4.470 -0.000 0.000 0.320 92 S C -2.279 172.303 174.600 -0.031 0.000 1.097 92 S CA -1.219 56.968 58.200 -0.022 0.000 1.092 92 S CB 0.405 63.609 63.200 0.007 0.000 0.988 92 S HN 0.781 nan 8.310 nan 0.000 0.470 93 P HA 0.321 nan 4.420 nan 0.000 0.277 93 P C -0.653 176.594 177.300 -0.088 0.000 1.271 93 P CA -0.725 62.331 63.100 -0.074 0.000 0.795 93 P CB 0.354 31.990 31.700 -0.108 0.000 1.101 94 N N -0.530 118.099 118.700 -0.117 0.000 2.407 94 N HA 0.255 4.995 4.740 -0.000 0.000 0.250 94 N C 1.485 176.926 175.510 -0.114 0.000 1.236 94 N CA 1.733 54.707 53.050 -0.128 0.000 0.879 94 N CB -0.506 37.865 38.487 -0.193 0.000 1.088 94 N HN 0.799 nan 8.380 nan 0.000 0.450 95 G N 0.478 109.304 108.800 0.043 0.000 2.176 95 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.253 95 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.253 95 G C 0.860 175.785 174.900 0.042 0.000 0.979 95 G CA 0.278 45.468 45.100 0.150 0.000 0.641 95 G HN 0.502 nan 8.290 nan 0.000 0.530 96 L N -0.077 121.137 121.223 -0.015 0.000 2.081 96 L HA 0.086 4.425 4.340 -0.000 0.000 0.212 96 L C 2.363 179.219 176.870 -0.023 0.000 1.080 96 L CA 2.791 57.614 54.840 -0.027 0.000 0.754 96 L CB -0.128 41.905 42.059 -0.042 0.000 0.893 96 L HN 0.285 nan 8.230 nan 0.000 0.433 97 K N -1.907 118.476 120.400 -0.029 0.000 2.391 97 K HA 0.242 4.562 4.320 -0.000 0.000 0.197 97 K C 2.013 178.605 176.600 -0.014 0.000 1.087 97 K CA 0.862 57.131 56.287 -0.031 0.000 1.012 97 K CB 0.472 32.940 32.500 -0.053 0.000 0.925 97 K HN 0.457 nan 8.250 nan 0.000 0.547 98 S N -0.217 115.485 115.700 0.004 0.000 2.439 98 S HA -0.026 4.444 4.470 -0.000 0.000 0.224 98 S C 1.953 176.576 174.600 0.039 0.000 1.029 98 S CA 0.865 59.096 58.200 0.052 0.000 0.946 98 S CB -0.282 62.964 63.200 0.077 0.000 0.797 98 S HN 0.014 nan 8.310 nan 0.000 0.504 99 T N 3.861 118.441 114.554 0.044 0.000 2.720 99 T HA 0.006 4.356 4.350 -0.000 0.000 0.268 99 T C -0.786 173.927 174.700 0.021 0.000 1.037 99 T CA 1.708 63.843 62.100 0.058 0.000 1.144 99 T CB -1.436 67.476 68.868 0.072 0.000 0.864 99 T HN 0.411 nan 8.240 nan 0.000 0.444 100 P HA 0.051 nan 4.420 nan 0.000 0.220 100 P C 1.205 178.483 177.300 -0.037 0.000 1.148 100 P CA 0.821 63.892 63.100 -0.049 0.000 0.803 100 P CB -0.114 31.565 31.700 -0.035 0.000 0.782 101 I N -2.347 118.209 120.570 -0.024 0.000 2.235 101 I HA -0.161 4.008 4.170 -0.000 0.000 0.241 101 I C 2.172 178.235 176.117 -0.090 0.000 1.085 101 I CA 0.842 62.132 61.300 -0.017 0.000 1.378 101 I CB -0.593 37.402 38.000 -0.008 0.000 1.076 101 I HN -0.157 nan 8.210 nan 0.000 0.415 102 F N 2.546 122.196 119.950 -0.500 0.000 2.087 102 F HA -0.278 4.249 4.527 -0.000 0.000 0.299 102 F C 2.270 178.155 175.800 0.141 0.000 1.100 102 F CA 2.167 59.819 58.000 -0.579 0.000 1.226 102 F CB -0.360 38.236 39.000 -0.673 0.000 0.983 102 F HN 0.093 nan 8.300 nan 0.000 0.479 103 I N -1.804 118.776 120.570 0.017 0.000 3.176 103 I HA -0.096 4.073 4.170 -0.000 0.000 0.275 103 I C 1.639 177.682 176.117 -0.125 0.000 1.298 103 I CA 0.708 61.956 61.300 -0.085 0.000 1.445 103 I CB -0.524 37.165 38.000 -0.518 0.000 1.075 103 I HN -0.017 nan 8.210 nan 0.000 0.482 104 K N 1.266 121.647 120.400 -0.031 0.000 2.280 104 K HA -0.079 4.240 4.320 -0.000 0.000 0.202 104 K C 0.980 177.573 176.600 -0.011 0.000 1.047 104 K CA 0.720 57.006 56.287 -0.002 0.000 0.942 104 K CB -0.369 32.161 32.500 0.050 0.000 0.739 104 K HN 0.469 nan 8.250 nan 0.000 0.457 105 Q N 1.544 121.362 119.800 0.029 0.000 2.293 105 Q HA 0.013 4.353 4.340 -0.000 0.000 0.251 105 Q C -0.892 175.080 176.000 -0.047 0.000 0.930 105 Q CA 0.153 55.854 55.803 -0.170 0.000 0.893 105 Q CB 1.236 29.804 28.738 -0.284 0.000 1.215 105 Q HN -0.116 nan 8.270 nan 0.000 0.425 106 D N 3.234 123.508 120.400 -0.210 0.000 2.767 106 D HA 0.110 4.750 4.640 -0.000 0.000 0.241 106 D C -1.043 175.193 176.300 -0.106 0.000 1.187 106 D CA -0.210 53.765 54.000 -0.042 0.000 0.999 106 D CB -0.641 40.083 40.800 -0.127 0.000 1.042 106 D HN 0.422 nan 8.370 nan 0.000 0.510 107 Y N 0.730 121.055 120.300 0.043 0.000 2.480 107 Y HA 0.059 4.609 4.550 -0.000 0.000 0.338 107 Y C 1.790 177.621 175.900 -0.115 0.000 1.220 107 Y CA 0.248 58.268 58.100 -0.133 0.000 1.430 107 Y CB 0.846 39.073 38.460 -0.389 0.000 1.311 107 Y HN 0.227 nan 8.280 nan 0.000 0.575 108 D N 1.600 122.009 120.400 0.014 0.000 2.324 108 D HA 0.142 4.782 4.640 -0.000 0.000 0.212 108 D C -0.281 175.924 176.300 -0.158 0.000 0.984 108 D CA 0.957 54.900 54.000 -0.094 0.000 0.885 108 D CB 0.600 41.338 40.800 -0.104 0.000 0.996 108 D HN 0.309 nan 8.370 nan 0.000 0.505 109 L N 0.954 122.116 121.223 -0.101 0.000 2.482 109 L HA 0.461 4.801 4.340 -0.000 0.000 0.263 109 L C -0.976 175.781 176.870 -0.189 0.000 0.957 109 L CA -0.739 54.011 54.840 -0.150 0.000 0.836 109 L CB 2.752 44.743 42.059 -0.113 0.000 1.324 109 L HN -0.131 nan 8.230 nan 0.000 0.406 110 L N -0.593 120.453 121.223 -0.295 0.000 2.600 110 L HA 0.953 5.293 4.340 -0.000 0.000 0.257 110 L C -0.955 175.563 176.870 -0.586 0.000 1.048 110 L CA -0.420 54.168 54.840 -0.419 0.000 0.869 110 L CB 2.422 44.139 42.059 -0.570 0.000 1.482 110 L HN 0.521 nan 8.230 nan 0.000 0.408 111 T N -0.349 113.851 114.554 -0.590 0.000 2.681 111 T HA 0.577 4.926 4.350 -0.000 0.000 0.296 111 T C -1.499 172.936 174.700 -0.442 0.000 1.157 111 T CA -0.522 61.230 62.100 -0.579 0.000 1.025 111 T CB 1.763 70.530 68.868 -0.169 0.000 1.441 111 T HN 0.718 nan 8.240 nan 0.000 0.504 112 I N 0.865 121.339 120.570 -0.160 0.000 2.566 112 I HA 0.720 4.890 4.170 -0.000 0.000 0.303 112 I C 0.612 176.653 176.117 -0.127 0.000 0.983 112 I CA -0.245 61.046 61.300 -0.016 0.000 1.235 112 I CB 1.290 39.382 38.000 0.154 0.000 1.386 112 I HN 0.741 nan 8.210 nan 0.000 0.494 113 G N 3.093 111.730 108.800 -0.272 0.000 2.667 113 G HA2 0.147 4.107 3.960 -0.000 0.000 0.310 113 G HA3 0.147 4.107 3.960 -0.000 0.000 0.310 113 G C 0.422 175.063 174.900 -0.431 0.000 1.259 113 G CA -0.522 44.177 45.100 -0.669 0.000 1.019 113 G HN 0.709 nan 8.290 nan 0.000 0.496 114 N N -0.874 117.519 118.700 -0.511 0.000 2.331 114 N HA -0.139 4.601 4.740 -0.000 0.000 0.180 114 N C 1.159 176.247 175.510 -0.702 0.000 1.019 114 N CA 0.994 53.468 53.050 -0.961 0.000 0.881 114 N CB -0.353 37.141 38.487 -1.654 0.000 0.972 114 N HN 0.589 nan 8.380 nan 0.000 0.435 115 H N 0.374 119.388 119.070 -0.092 0.000 2.524 115 H HA 0.069 4.625 4.556 -0.000 0.000 0.282 115 H C 0.654 176.071 175.328 0.147 0.000 1.016 115 H CA 0.774 56.962 56.048 0.234 0.000 1.270 115 H CB 0.388 30.375 29.762 0.376 0.000 1.394 115 H HN 0.358 nan 8.280 nan 0.000 0.568 116 E N 0.096 120.350 120.200 0.090 0.000 2.502 116 E HA 0.071 4.421 4.350 -0.000 0.000 0.194 116 E C 1.379 177.984 176.600 0.007 0.000 1.062 116 E CA 0.082 56.510 56.400 0.045 0.000 0.867 116 E CB 0.367 30.105 29.700 0.063 0.000 0.888 116 E HN 0.382 nan 8.360 nan 0.000 0.510 117 L N -1.439 119.771 121.223 -0.022 0.000 2.920 117 L HA 0.171 4.510 4.340 -0.000 0.000 0.257 117 L C 0.831 177.778 176.870 0.129 0.000 1.150 117 L CA -0.053 54.822 54.840 0.057 0.000 0.959 117 L CB 0.226 42.341 42.059 0.093 0.000 1.321 117 L HN 0.122 nan 8.230 nan 0.000 0.555 118 Y N 0.814 121.213 120.300 0.165 0.000 2.200 118 Y HA -0.038 4.512 4.550 -0.000 0.000 0.290 118 Y C 0.958 176.924 175.900 0.111 0.000 1.137 118 Y CA 1.012 59.196 58.100 0.141 0.000 1.163 118 Y CB 0.033 38.510 38.460 0.027 0.000 0.988 118 Y HN 0.010 nan 8.280 nan 0.000 0.518 119 L N -1.172 120.196 121.223 0.242 0.000 2.365 119 L HA 0.086 4.426 4.340 -0.000 0.000 0.273 119 L C 0.865 177.840 176.870 0.175 0.000 1.000 119 L CA -0.687 54.264 54.840 0.186 0.000 0.819 119 L CB 1.590 43.722 42.059 0.122 0.000 1.284 119 L HN 0.294 nan 8.230 nan 0.000 0.418 120 W N 3.667 125.000 121.300 0.055 0.000 2.335 120 W HA -0.229 4.431 4.660 -0.000 0.000 0.311 120 W C 1.655 178.184 176.519 0.017 0.000 1.213 120 W CA 2.390 59.756 57.345 0.035 0.000 1.274 120 W CB 0.281 29.757 29.460 0.027 0.000 1.148 120 W HN 0.930 nan 8.180 nan 0.000 0.498 121 E N 0.173 120.251 120.200 -0.204 0.000 2.209 121 E HA -0.266 4.084 4.350 -0.000 0.000 0.196 121 E C 1.614 178.014 176.600 -0.333 0.000 0.993 121 E CA 1.602 57.801 56.400 -0.336 0.000 0.819 121 E CB -0.744 28.896 29.700 -0.099 0.000 0.745 121 E HN 0.170 nan 8.360 nan 0.000 0.477 122 N N 0.680 119.244 118.700 -0.227 0.000 2.250 122 N HA -0.038 4.702 4.740 -0.000 0.000 0.181 122 N C 1.835 177.199 175.510 -0.245 0.000 1.017 122 N CA 1.375 54.291 53.050 -0.224 0.000 0.866 122 N CB -0.169 38.227 38.487 -0.151 0.000 0.985 122 N HN 0.160 nan 8.380 nan 0.000 0.429 123 S N 1.004 116.553 115.700 -0.251 0.000 2.383 123 S HA -0.081 4.389 4.470 -0.000 0.000 0.227 123 S C 1.815 176.186 174.600 -0.382 0.000 1.026 123 S CA 0.845 58.906 58.200 -0.232 0.000 0.981 123 S CB 0.037 63.165 63.200 -0.120 0.000 0.818 123 S HN 0.387 nan 8.310 nan 0.000 0.472 124 K N 1.206 121.151 120.400 -0.757 0.000 2.025 124 K HA -0.178 4.141 4.320 -0.000 0.000 0.207 124 K C 2.360 178.774 176.600 -0.310 0.000 1.049 124 K CA 1.497 57.355 56.287 -0.714 0.000 0.933 124 K CB -0.199 31.650 32.500 -1.086 0.000 0.714 124 K HN 0.206 nan 8.250 nan 0.000 0.438 125 Q N 1.330 120.956 119.800 -0.290 0.000 2.096 125 Q HA -0.225 4.114 4.340 -0.000 0.000 0.204 125 Q C 1.815 177.747 176.000 -0.113 0.000 0.982 125 Q CA 2.205 57.906 55.803 -0.171 0.000 0.850 125 Q CB -0.192 28.444 28.738 -0.170 0.000 0.901 125 Q HN 0.374 nan 8.270 nan 0.000 0.422 126 E N -0.933 119.199 120.200 -0.113 0.000 2.058 126 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 126 E C 1.736 178.298 176.600 -0.063 0.000 0.997 126 E CA 1.668 58.041 56.400 -0.045 0.000 0.801 126 E CB -0.674 29.017 29.700 -0.014 0.000 0.746 126 E HN 0.599 nan 8.360 nan 0.000 0.450 127 Y N 1.073 121.252 120.300 -0.202 0.000 2.181 127 Y HA -0.097 4.453 4.550 -0.000 0.000 0.288 127 Y C 1.720 177.523 175.900 -0.161 0.000 1.146 127 Y CA 2.110 60.085 58.100 -0.208 0.000 1.164 127 Y CB 0.006 38.357 38.460 -0.181 0.000 0.982 127 Y HN 0.135 nan 8.280 nan 0.000 0.515 128 E N -1.274 118.859 120.200 -0.112 0.000 2.427 128 E HA -0.054 4.296 4.350 -0.000 0.000 0.196 128 E C 1.605 178.123 176.600 -0.137 0.000 1.028 128 E CA 1.230 57.539 56.400 -0.153 0.000 0.864 128 E CB 0.120 29.779 29.700 -0.068 0.000 0.813 128 E HN 0.654 nan 8.360 nan 0.000 0.514 129 T N -3.136 111.354 114.554 -0.105 0.000 3.397 129 T HA 0.043 4.393 4.350 -0.000 0.000 0.233 129 T C 2.015 176.711 174.700 -0.007 0.000 0.969 129 T CA 0.137 62.205 62.100 -0.053 0.000 1.316 129 T CB -0.561 68.292 68.868 -0.026 0.000 1.175 129 T HN -0.075 nan 8.240 nan 0.000 0.381 130 V N 2.364 122.307 119.914 0.049 0.000 2.295 130 V HA -0.120 4.000 4.120 -0.000 0.000 0.246 130 V C 2.945 179.147 176.094 0.181 0.000 1.049 130 V CA 1.702 64.134 62.300 0.220 0.000 1.024 130 V CB -0.911 31.099 31.823 0.311 0.000 0.648 130 V HN 0.402 nan 8.190 nan 0.000 0.447 131 V N 0.705 120.510 119.914 -0.183 0.000 2.358 131 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 131 V C 2.328 178.297 176.094 -0.209 0.000 1.047 131 V CA 2.355 64.414 62.300 -0.402 0.000 1.035 131 V CB -0.992 30.424 31.823 -0.678 0.000 0.658 131 V HN 0.692 nan 8.190 nan 0.000 0.452 132 N N -0.097 118.461 118.700 -0.237 0.000 2.084 132 N HA -0.279 4.461 4.740 -0.000 0.000 0.190 132 N C 2.033 177.476 175.510 -0.112 0.000 1.030 132 N CA 2.017 54.949 53.050 -0.196 0.000 0.849 132 N CB -0.127 38.241 38.487 -0.199 0.000 1.012 132 N HN 0.677 nan 8.380 nan 0.000 0.423 133 H N -0.641 118.329 119.070 -0.168 0.000 2.319 133 H HA -0.070 4.485 4.556 -0.000 0.000 0.299 133 H C 0.214 175.363 175.328 -0.298 0.000 1.092 133 H CA 1.800 57.682 56.048 -0.278 0.000 1.302 133 H CB -0.167 29.353 29.762 -0.404 0.000 1.373 133 H HN 0.149 nan 8.280 nan 0.000 0.497 134 F N 0.932 120.904 119.950 0.036 0.000 2.987 134 F HA 0.205 4.732 4.527 -0.000 0.000 0.302 134 F C 1.740 177.537 175.800 -0.004 0.000 1.221 134 F CA -0.169 57.848 58.000 0.027 0.000 1.307 134 F CB 0.009 39.146 39.000 0.228 0.000 1.108 134 F HN 0.247 nan 8.300 nan 0.000 0.521 135 Q N 1.262 121.080 119.800 0.029 0.000 2.077 135 Q HA -0.243 4.097 4.340 -0.000 0.000 0.206 135 Q C 1.694 177.697 176.000 0.005 0.000 0.989 135 Q CA 2.386 58.177 55.803 -0.020 0.000 0.853 135 Q CB 0.049 28.737 28.738 -0.084 0.000 0.907 135 Q HN 0.520 nan 8.270 nan 0.000 0.418 136 D N -1.498 118.898 120.400 -0.006 0.000 2.340 136 D HA -0.042 4.598 4.640 -0.000 0.000 0.220 136 D C 0.708 176.983 176.300 -0.042 0.000 1.039 136 D CA 0.447 54.425 54.000 -0.037 0.000 0.866 136 D CB 0.205 40.967 40.800 -0.064 0.000 0.913 136 D HN 0.255 nan 8.370 nan 0.000 0.523 137 K N -1.219 119.203 120.400 0.036 0.000 2.450 137 K HA 0.084 4.404 4.320 -0.000 0.000 0.206 137 K C -0.424 176.189 176.600 0.021 0.000 1.148 137 K CA -0.362 55.920 56.287 -0.008 0.000 1.014 137 K CB 0.927 33.456 32.500 0.049 0.000 0.966 137 K HN 0.025 nan 8.250 nan 0.000 0.566 138 Y N 1.952 122.243 120.300 -0.015 0.000 2.425 138 Y HA 0.218 4.767 4.550 -0.000 0.000 0.347 138 Y C -0.778 175.107 175.900 -0.026 0.000 0.976 138 Y CA -0.744 57.348 58.100 -0.013 0.000 1.190 138 Y CB 0.687 39.176 38.460 0.049 0.000 1.136 138 Y HN -0.324 nan 8.280 nan 0.000 0.517 139 V N 6.065 125.980 119.914 0.002 0.000 2.334 139 V HA 0.266 4.386 4.120 -0.000 0.000 0.281 139 V C -0.687 175.419 176.094 0.020 0.000 1.016 139 V CA -0.751 61.561 62.300 0.019 0.000 0.832 139 V CB 0.744 32.554 31.823 -0.023 0.000 0.999 139 V HN 0.844 nan 8.190 nan 0.000 0.439 140 C N 3.313 122.665 119.300 0.086 0.000 2.344 140 C HA 0.351 4.811 4.460 -0.000 0.000 0.326 140 C C 1.582 176.577 174.990 0.009 0.000 1.201 140 C CA -0.434 58.621 59.018 0.061 0.000 1.410 140 C CB 0.963 28.780 27.740 0.128 0.000 2.070 140 C HN 0.903 nan 8.230 nan 0.000 0.445 141 S N 1.939 117.625 115.700 -0.024 0.000 2.496 141 S HA -0.060 4.410 4.470 -0.000 0.000 0.224 141 S C 1.382 176.098 174.600 0.194 0.000 0.996 141 S CA 0.749 58.979 58.200 0.051 0.000 0.927 141 S CB -0.154 63.037 63.200 -0.015 0.000 0.774 141 S HN 0.934 nan 8.310 nan 0.000 0.524 142 N N 0.143 118.945 118.700 0.169 0.000 2.307 142 N HA 0.123 4.863 4.740 -0.000 0.000 0.248 142 N C -0.814 174.725 175.510 0.049 0.000 1.322 142 N CA -0.062 53.099 53.050 0.183 0.000 0.861 142 N CB 0.228 38.894 38.487 0.297 0.000 1.303 142 N HN 0.058 nan 8.380 nan 0.000 0.498 143 V N 0.525 120.453 119.914 0.022 0.000 2.638 143 V HA 0.448 4.567 4.120 -0.000 0.000 0.306 143 V C -1.111 174.983 176.094 -0.001 0.000 1.052 143 V CA -0.690 61.593 62.300 -0.028 0.000 0.885 143 V CB 2.020 33.836 31.823 -0.012 0.000 0.999 143 V HN -0.001 nan 8.190 nan 0.000 0.424 144 D N 2.763 123.166 120.400 0.005 0.000 2.269 144 D HA 0.679 5.319 4.640 -0.000 0.000 0.244 144 D C -0.726 175.663 176.300 0.148 0.000 0.992 144 D CA -0.224 53.827 54.000 0.085 0.000 0.894 144 D CB 2.886 43.779 40.800 0.154 0.000 1.248 144 D HN 0.522 nan 8.370 nan 0.000 0.468 145 I N 0.147 120.748 120.570 0.052 0.000 2.689 145 I HA 0.324 4.494 4.170 -0.000 0.000 0.299 145 I C -0.528 175.400 176.117 -0.315 0.000 1.059 145 I CA -0.940 60.328 61.300 -0.054 0.000 1.055 145 I CB 1.680 39.527 38.000 -0.256 0.000 1.243 145 I HN 0.021 nan 8.210 nan 0.000 0.425 146 R N 7.296 127.452 120.500 -0.574 0.000 2.267 146 R HA 0.388 4.728 4.340 -0.000 0.000 0.319 146 R C -1.013 175.061 176.300 -0.378 0.000 1.067 146 R CA -0.347 55.193 56.100 -0.934 0.000 0.936 146 R CB 0.422 30.026 30.300 -1.161 0.000 1.006 146 R HN 0.639 nan 8.270 nan 0.000 0.452 147 L N 2.919 123.957 121.223 -0.309 0.000 2.479 147 L HA 0.044 4.384 4.340 -0.000 0.000 0.248 147 L C 1.455 178.268 176.870 -0.094 0.000 1.205 147 L CA -0.587 54.173 54.840 -0.133 0.000 0.817 147 L CB 0.424 42.433 42.059 -0.084 0.000 1.162 147 L HN 0.576 nan 8.230 nan 0.000 0.486 148 D N 0.302 120.694 120.400 -0.014 0.000 2.178 148 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 148 D C 1.481 177.758 176.300 -0.039 0.000 0.980 148 D CA 1.389 55.383 54.000 -0.010 0.000 0.842 148 D CB -0.320 40.498 40.800 0.029 0.000 0.948 148 D HN 0.592 nan 8.370 nan 0.000 0.472 149 N N -0.316 118.361 118.700 -0.038 0.000 2.521 149 N HA 0.033 4.773 4.740 -0.000 0.000 0.188 149 N C 1.339 176.815 175.510 -0.055 0.000 1.146 149 N CA 1.036 54.064 53.050 -0.036 0.000 0.893 149 N CB 0.066 38.542 38.487 -0.018 0.000 0.975 149 N HN 0.156 nan 8.380 nan 0.000 0.451 150 G N -1.149 107.588 108.800 -0.105 0.000 2.175 150 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 150 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 150 G C -0.437 174.390 174.900 -0.121 0.000 0.982 150 G CA 0.129 45.152 45.100 -0.129 0.000 0.641 150 G HN 0.376 nan 8.290 nan 0.000 0.527 151 L N 1.270 122.430 121.223 -0.105 0.000 2.360 151 L HA 0.672 5.012 4.340 -0.000 0.000 0.276 151 L C 0.172 176.960 176.870 -0.137 0.000 1.121 151 L CA -0.669 54.145 54.840 -0.043 0.000 0.845 151 L CB 0.095 42.145 42.059 -0.016 0.000 1.143 151 L HN 0.082 nan 8.230 nan 0.000 0.452 152 F N 5.043 124.973 119.950 -0.032 0.000 2.444 152 F HA 0.414 4.941 4.527 -0.000 0.000 0.360 152 F C 0.453 176.228 175.800 -0.043 0.000 1.106 152 F CA -0.123 57.852 58.000 -0.043 0.000 1.170 152 F CB 0.846 39.826 39.000 -0.033 0.000 1.113 152 F HN 0.330 nan 8.300 nan 0.000 0.521 153 V N 2.154 122.097 119.914 0.048 0.000 3.046 153 V HA 0.727 4.846 4.120 -0.000 0.000 0.316 153 V C -2.831 173.265 176.094 0.003 0.000 1.104 153 V CA -3.312 58.997 62.300 0.015 0.000 1.006 153 V CB 1.804 33.618 31.823 -0.015 0.000 1.058 153 V HN 0.348 nan 8.190 nan 0.000 0.440 154 P HA 0.247 nan 4.420 nan 0.000 0.268 154 P C -0.409 176.913 177.300 0.038 0.000 1.205 154 P CA -0.015 63.081 63.100 -0.008 0.000 0.771 154 P CB 0.392 32.060 31.700 -0.053 0.000 0.858 155 L N 3.406 124.657 121.223 0.047 0.000 2.387 155 L HA 0.406 4.745 4.340 -0.000 0.000 0.267 155 L C 0.853 177.815 176.870 0.152 0.000 1.197 155 L CA 0.600 55.505 54.840 0.110 0.000 1.070 155 L CB -1.322 40.783 42.059 0.077 0.000 1.349 155 L HN 0.747 nan 8.230 nan 0.000 0.422 156 G N 2.645 111.532 108.800 0.146 0.000 2.472 156 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.205 156 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.205 156 G C -0.849 174.088 174.900 0.062 0.000 1.270 156 G CA -0.713 44.455 45.100 0.112 0.000 0.974 156 G HN 0.347 nan 8.290 nan 0.000 0.542 157 L N 0.416 121.665 121.223 0.044 0.000 2.357 157 L HA 0.477 4.817 4.340 -0.000 0.000 0.273 157 L C 1.708 178.529 176.870 -0.081 0.000 1.080 157 L CA -0.668 54.138 54.840 -0.058 0.000 0.803 157 L CB 1.416 43.417 42.059 -0.097 0.000 1.174 157 L HN 0.716 nan 8.230 nan 0.000 0.443 158 K N 1.459 121.747 120.400 -0.187 0.000 2.228 158 K HA 0.000 4.320 4.320 -0.000 0.000 0.202 158 K C -0.657 176.016 176.600 0.120 0.000 1.051 158 K CA 0.917 57.043 56.287 -0.269 0.000 0.960 158 K CB 0.260 32.194 32.500 -0.943 0.000 0.743 158 K HN 0.558 nan 8.250 nan 0.000 0.458 159 Y N -2.072 118.238 120.300 0.016 0.000 2.689 159 Y HA 0.501 5.051 4.550 -0.000 0.000 0.333 159 Y C -1.680 174.202 175.900 -0.030 0.000 1.208 159 Y CA -1.631 56.472 58.100 0.005 0.000 1.055 159 Y CB 1.170 39.669 38.460 0.065 0.000 1.304 159 Y HN -0.386 nan 8.280 nan 0.000 0.455 160 K N 1.924 122.314 120.400 -0.016 0.000 2.513 160 K HA 0.410 4.730 4.320 -0.000 0.000 0.251 160 K C -2.533 174.194 176.600 0.212 0.000 0.939 160 K CA -0.785 55.498 56.287 -0.007 0.000 0.793 160 K CB 2.154 34.658 32.500 0.007 0.000 1.241 160 K HN 0.846 nan 8.250 nan 0.000 0.431 161 Y N 5.630 125.968 120.300 0.063 0.000 2.352 161 Y HA 0.560 5.110 4.550 -0.000 0.000 0.339 161 Y C -1.346 174.647 175.900 0.155 0.000 0.992 161 Y CA -0.494 57.619 58.100 0.022 0.000 1.100 161 Y CB 0.818 39.182 38.460 -0.160 0.000 1.192 161 Y HN 0.538 nan 8.280 nan 0.000 0.458 162 F N 1.762 121.365 119.950 -0.578 0.000 2.741 162 F HA 0.684 5.211 4.527 -0.000 0.000 0.311 162 F C -1.569 173.971 175.800 -0.433 0.000 1.149 162 F CA -0.941 56.838 58.000 -0.368 0.000 0.930 162 F CB 1.242 40.131 39.000 -0.185 0.000 1.312 162 F HN 0.438 nan 8.300 nan 0.000 0.450 163 T N -0.756 113.697 114.554 -0.170 0.000 2.824 163 T HA 0.602 4.952 4.350 -0.000 0.000 0.282 163 T C -0.282 174.402 174.700 -0.027 0.000 0.993 163 T CA -0.324 61.648 62.100 -0.214 0.000 0.967 163 T CB 1.241 70.028 68.868 -0.135 0.000 0.960 163 T HN 1.037 nan 8.240 nan 0.000 0.441 164 T N 1.078 115.591 114.554 -0.068 0.000 2.913 164 T HA 0.362 4.712 4.350 -0.000 0.000 0.297 164 T C -1.415 173.273 174.700 -0.020 0.000 1.029 164 T CA -1.463 60.648 62.100 0.020 0.000 1.104 164 T CB 0.703 69.560 68.868 -0.018 0.000 0.964 164 T HN 0.459 nan 8.240 nan 0.000 0.532 165 P HA 0.075 nan 4.420 nan 0.000 0.231 165 P C 1.257 178.484 177.300 -0.122 0.000 1.168 165 P CA 0.356 63.413 63.100 -0.072 0.000 0.779 165 P CB 0.125 31.774 31.700 -0.085 0.000 0.844 166 I N -0.126 120.362 120.570 -0.137 0.000 2.556 166 I HA 0.063 4.233 4.170 -0.000 0.000 0.251 166 I C 2.172 178.236 176.117 -0.088 0.000 1.105 166 I CA 0.915 62.124 61.300 -0.151 0.000 1.436 166 I CB -0.809 37.080 38.000 -0.185 0.000 1.139 166 I HN -0.051 nan 8.210 nan 0.000 0.438 167 R N 0.520 120.978 120.500 -0.070 0.000 2.397 167 R HA 0.260 4.600 4.340 -0.000 0.000 0.241 167 R C 0.963 177.229 176.300 -0.056 0.000 0.914 167 R CA 0.510 56.577 56.100 -0.056 0.000 1.071 167 R CB 0.437 30.708 30.300 -0.049 0.000 1.116 167 R HN 0.416 nan 8.270 nan 0.000 0.524 168 G N 2.429 111.191 108.800 -0.063 0.000 2.305 168 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.287 168 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.287 168 G C 0.108 174.956 174.900 -0.087 0.000 1.036 168 G CA 0.038 45.099 45.100 -0.066 0.000 0.887 168 G HN 0.264 nan 8.290 nan 0.000 0.505 169 I N -0.051 120.453 120.570 -0.110 0.000 2.556 169 I HA 0.184 4.354 4.170 -0.000 0.000 0.284 169 I C 1.263 177.234 176.117 -0.242 0.000 1.114 169 I CA -0.050 61.165 61.300 -0.142 0.000 1.418 169 I CB 0.517 38.436 38.000 -0.135 0.000 1.394 169 I HN 0.084 nan 8.210 nan 0.000 0.552 170 R N 5.476 125.838 120.500 -0.231 0.000 2.216 170 R HA 0.496 4.835 4.340 -0.000 0.000 0.332 170 R C -1.067 174.955 176.300 -0.462 0.000 1.056 170 R CA -0.442 55.438 56.100 -0.366 0.000 0.901 170 R CB 0.929 31.130 30.300 -0.164 0.000 1.039 170 R HN 0.395 nan 8.270 nan 0.000 0.456 171 V N 4.619 124.049 119.914 -0.806 0.000 2.555 171 V HA 0.405 4.525 4.120 -0.000 0.000 0.302 171 V C -0.181 175.490 176.094 -0.706 0.000 1.038 171 V CA -0.841 60.989 62.300 -0.784 0.000 0.887 171 V CB 1.847 32.974 31.823 -1.159 0.000 0.991 171 V HN 0.726 nan 8.190 nan 0.000 0.434 172 M N 3.977 123.359 119.600 -0.362 0.000 2.294 172 M HA 0.813 5.292 4.480 -0.000 0.000 0.335 172 M C -0.421 175.717 176.300 -0.270 0.000 1.079 172 M CA -0.367 54.790 55.300 -0.240 0.000 0.982 172 M CB 1.504 33.990 32.600 -0.189 0.000 1.651 172 M HN 0.813 nan 8.290 nan 0.000 0.437 173 A N 4.560 127.254 122.820 -0.209 0.000 2.342 173 A HA 0.860 5.180 4.320 -0.000 0.000 0.323 173 A C -1.650 175.718 177.584 -0.360 0.000 1.125 173 A CA -0.469 51.475 52.037 -0.155 0.000 0.785 173 A CB 0.650 19.707 19.000 0.096 0.000 1.221 173 A HN 0.797 nan 8.150 nan 0.000 0.463 174 F N 0.454 120.445 119.950 0.068 0.000 2.618 174 F HA 0.756 5.283 4.527 -0.000 0.000 0.332 174 F C 0.828 176.525 175.800 -0.171 0.000 1.061 174 F CA -0.553 57.432 58.000 -0.024 0.000 0.974 174 F CB 2.587 41.575 39.000 -0.020 0.000 1.310 174 F HN 0.699 nan 8.300 nan 0.000 0.491 175 G N 0.997 109.694 108.800 -0.172 0.000 2.744 175 G HA2 0.611 4.570 3.960 -0.000 0.000 0.286 175 G HA3 0.611 4.570 3.960 -0.000 0.000 0.286 175 G C -2.136 172.617 174.900 -0.245 0.000 1.497 175 G CA -0.362 44.669 45.100 -0.116 0.000 1.070 175 G HN 0.291 nan 8.290 nan 0.000 0.539 176 F N 2.261 122.407 119.950 0.326 0.000 2.499 176 F HA 0.429 4.956 4.527 -0.000 0.000 0.333 176 F C 0.136 176.072 175.800 0.228 0.000 1.138 176 F CA -1.017 57.150 58.000 0.279 0.000 0.945 176 F CB 2.147 41.349 39.000 0.336 0.000 1.181 176 F HN 0.401 nan 8.300 nan 0.000 0.435 177 L N 5.300 126.706 121.223 0.306 0.000 2.439 177 L HA 0.390 4.730 4.340 -0.000 0.000 0.269 177 L C 0.090 177.048 176.870 0.146 0.000 1.179 177 L CA -0.298 54.648 54.840 0.177 0.000 0.828 177 L CB 0.090 42.161 42.059 0.019 0.000 1.106 177 L HN 0.481 nan 8.230 nan 0.000 0.467 178 F N 0.676 120.658 119.950 0.053 0.000 2.527 178 F HA 0.174 4.701 4.527 -0.000 0.000 0.316 178 F C 0.663 176.576 175.800 0.188 0.000 1.258 178 F CA -0.731 57.329 58.000 0.100 0.000 1.314 178 F CB -0.088 38.931 39.000 0.032 0.000 1.200 178 F HN 0.572 nan 8.300 nan 0.000 0.577 179 D N 1.572 122.181 120.400 0.347 0.000 2.540 179 D HA 0.012 4.652 4.640 -0.000 0.000 0.237 179 D C -0.983 175.399 176.300 0.137 0.000 1.181 179 D CA 0.095 54.198 54.000 0.171 0.000 1.119 179 D CB -1.103 39.799 40.800 0.169 0.000 1.119 179 D HN 0.408 nan 8.370 nan 0.000 0.498 180 F N 2.457 122.161 119.950 -0.409 0.000 2.394 180 F HA 0.309 4.836 4.527 -0.000 0.000 0.340 180 F C 0.910 176.729 175.800 0.031 0.000 1.105 180 F CA -0.627 57.108 58.000 -0.442 0.000 1.124 180 F CB 1.260 39.703 39.000 -0.928 0.000 1.145 180 F HN -0.058 nan 8.300 nan 0.000 0.505 181 K N 4.581 124.684 120.400 -0.496 0.000 2.370 181 K HA 0.192 4.511 4.320 -0.000 0.000 0.194 181 K C 0.894 176.969 176.600 -0.874 0.000 1.070 181 K CA 0.431 56.447 56.287 -0.451 0.000 0.998 181 K CB 0.244 32.623 32.500 -0.202 0.000 0.911 181 K HN 0.647 nan 8.250 nan 0.000 0.533 182 R N 1.468 121.165 120.500 -1.339 0.000 2.721 182 R HA 0.164 4.503 4.340 -0.000 0.000 0.296 182 R C -0.279 175.576 176.300 -0.742 0.000 1.174 182 R CA -0.380 55.229 56.100 -0.819 0.000 1.129 182 R CB -0.323 29.869 30.300 -0.180 0.000 1.316 182 R HN 0.021 nan 8.270 nan 0.000 0.571 183 F N 0.537 120.023 119.950 -0.773 0.000 2.459 183 F HA 0.154 4.681 4.527 -0.000 0.000 0.346 183 F C 0.586 176.353 175.800 -0.056 0.000 1.128 183 F CA -1.847 56.026 58.000 -0.212 0.000 1.268 183 F CB 0.143 39.084 39.000 -0.097 0.000 1.161 183 F HN 0.021 nan 8.300 nan 0.000 0.583 184 N N 0.352 119.194 118.700 0.237 0.000 2.371 184 N HA 0.127 4.866 4.740 -0.000 0.000 0.243 184 N C 0.826 176.478 175.510 0.237 0.000 1.287 184 N CA -0.011 53.158 53.050 0.198 0.000 0.911 184 N CB 0.868 39.524 38.487 0.281 0.000 1.142 184 N HN 0.772 nan 8.380 nan 0.000 0.451 185 S N -0.740 115.038 115.700 0.130 0.000 2.442 185 S HA -0.061 4.409 4.470 -0.000 0.000 0.236 185 S C 1.703 176.396 174.600 0.155 0.000 1.007 185 S CA 0.514 58.778 58.200 0.107 0.000 0.965 185 S CB -1.005 62.203 63.200 0.014 0.000 0.773 185 S HN 0.795 nan 8.310 nan 0.000 0.504 186 G N 1.409 110.267 108.800 0.096 0.000 3.026 186 G HA2 0.333 4.293 3.960 -0.000 0.000 0.208 186 G HA3 0.333 4.293 3.960 -0.000 0.000 0.208 186 G C 0.431 175.527 174.900 0.326 0.000 1.169 186 G CA 0.577 45.636 45.100 -0.067 0.000 0.788 186 G HN 0.763 nan 8.290 nan 0.000 0.533 187 T N -3.156 111.690 114.554 0.486 0.000 2.864 187 T HA 0.728 5.078 4.350 -0.000 0.000 0.299 187 T C -0.977 173.917 174.700 0.323 0.000 1.166 187 T CA -1.049 61.314 62.100 0.439 0.000 1.007 187 T CB 2.697 71.732 68.868 0.279 0.000 1.219 187 T HN 0.043 nan 8.240 nan 0.000 0.506 188 R N 0.768 121.271 120.500 0.003 0.000 2.532 188 R HA 0.682 5.022 4.340 -0.000 0.000 0.297 188 R C -1.393 174.527 176.300 -0.633 0.000 0.984 188 R CA -0.816 55.061 56.100 -0.371 0.000 0.884 188 R CB 2.515 32.642 30.300 -0.288 0.000 1.182 188 R HN 0.555 nan 8.270 nan 0.000 0.442 189 V N 2.216 121.376 119.914 -1.257 0.000 2.483 189 V HA 0.446 4.565 4.120 -0.000 0.000 0.295 189 V C -0.033 175.836 176.094 -0.376 0.000 1.035 189 V CA -0.544 61.314 62.300 -0.736 0.000 0.896 189 V CB 2.055 33.406 31.823 -0.787 0.000 0.986 189 V HN 0.732 nan 8.190 nan 0.000 0.447 190 T N 6.568 121.027 114.554 -0.157 0.000 2.807 190 T HA 0.446 4.796 4.350 -0.000 0.000 0.279 190 T C -2.703 171.989 174.700 -0.013 0.000 0.993 190 T CA -1.310 60.757 62.100 -0.054 0.000 0.970 190 T CB 1.875 70.743 68.868 -0.001 0.000 0.950 190 T HN 0.404 nan 8.240 nan 0.000 0.441 191 P HA 0.050 nan 4.420 nan 0.000 0.266 191 P C 1.295 178.568 177.300 -0.046 0.000 1.195 191 P CA -0.116 62.980 63.100 -0.007 0.000 0.768 191 P CB 0.357 32.051 31.700 -0.010 0.000 0.838 192 M N 2.313 121.865 119.600 -0.080 0.000 2.279 192 M HA -0.132 4.348 4.480 -0.000 0.000 0.264 192 M C 1.516 177.572 176.300 -0.407 0.000 1.062 192 M CA 2.320 57.442 55.300 -0.297 0.000 1.099 192 M CB -1.037 31.228 32.600 -0.558 0.000 1.394 192 M HN 0.218 nan 8.290 nan 0.000 0.426 193 A N 0.818 123.488 122.820 -0.250 0.000 2.015 193 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 193 A C 1.920 179.386 177.584 -0.196 0.000 1.163 193 A CA 1.657 53.554 52.037 -0.232 0.000 0.646 193 A CB -0.546 18.394 19.000 -0.100 0.000 0.806 193 A HN 0.713 nan 8.150 nan 0.000 0.448 194 E N -1.001 119.121 120.200 -0.130 0.000 2.086 194 E HA -0.070 4.279 4.350 -0.000 0.000 0.190 194 E C 1.976 178.490 176.600 -0.144 0.000 0.975 194 E CA 1.255 57.618 56.400 -0.062 0.000 0.813 194 E CB -0.192 29.496 29.700 -0.020 0.000 0.768 194 E HN 0.530 nan 8.360 nan 0.000 0.457 195 T N 2.226 116.671 114.554 -0.183 0.000 2.737 195 T HA -0.184 4.166 4.350 -0.000 0.000 0.269 195 T C 2.032 176.393 174.700 -0.565 0.000 1.040 195 T CA 1.486 63.486 62.100 -0.168 0.000 1.142 195 T CB -0.428 68.463 68.868 0.038 0.000 0.861 195 T HN 0.338 nan 8.240 nan 0.000 0.456 196 I N -0.950 119.051 120.570 -0.949 0.000 2.916 196 I HA -0.065 4.105 4.170 -0.000 0.000 0.267 196 I C 1.766 177.149 176.117 -1.223 0.000 1.263 196 I CA 1.391 61.755 61.300 -1.560 0.000 1.471 196 I CB -0.514 36.511 38.000 -1.625 0.000 1.089 196 I HN 0.232 nan 8.210 nan 0.000 0.468 197 H N 1.392 120.152 119.070 -0.517 0.000 2.551 197 H HA 0.356 4.912 4.556 -0.000 0.000 0.271 197 H C 0.059 175.303 175.328 -0.140 0.000 0.984 197 H CA -0.122 55.769 56.048 -0.262 0.000 1.164 197 H CB -0.014 29.644 29.762 -0.173 0.000 1.437 197 H HN 0.554 nan 8.280 nan 0.000 0.550 198 E N 1.525 121.655 120.200 -0.117 0.000 2.366 198 E HA 0.032 4.382 4.350 -0.000 0.000 0.266 198 E C -1.525 175.029 176.600 -0.078 0.000 1.051 198 E CA -1.829 54.551 56.400 -0.035 0.000 0.884 198 E CB 1.045 30.784 29.700 0.064 0.000 1.006 198 E HN 0.026 nan 8.360 nan 0.000 0.417 199 P HA -0.243 nan 4.420 nan 0.000 0.216 199 P C 1.174 178.515 177.300 0.069 0.000 1.157 199 P CA 1.400 64.542 63.100 0.071 0.000 0.880 199 P CB -0.160 31.619 31.700 0.132 0.000 0.791 200 W N -0.728 120.663 121.300 0.151 0.000 2.342 200 W HA -0.188 4.471 4.660 -0.000 0.000 0.297 200 W C 1.845 178.464 176.519 0.167 0.000 1.213 200 W CA 0.520 57.969 57.345 0.173 0.000 1.251 200 W CB -1.928 27.668 29.460 0.226 0.000 1.136 200 W HN -0.056 nan 8.180 nan 0.000 0.526 201 F N 2.856 122.100 119.950 -1.175 0.000 2.146 201 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 201 F C 2.809 178.294 175.800 -0.525 0.000 1.096 201 F CA 2.467 59.748 58.000 -1.198 0.000 1.275 201 F CB -0.378 37.835 39.000 -1.311 0.000 1.008 201 F HN -0.228 nan 8.300 nan 0.000 0.480 202 Q N 0.491 120.116 119.800 -0.291 0.000 2.135 202 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 202 Q C 1.929 177.769 176.000 -0.266 0.000 0.981 202 Q CA 1.501 57.147 55.803 -0.262 0.000 0.856 202 Q CB -0.732 27.962 28.738 -0.074 0.000 0.902 202 Q HN 0.509 nan 8.270 nan 0.000 0.425 203 E N 0.792 120.885 120.200 -0.178 0.000 2.107 203 E HA -0.016 4.333 4.350 -0.000 0.000 0.191 203 E C 1.963 178.404 176.600 -0.264 0.000 0.982 203 E CA 0.979 57.286 56.400 -0.155 0.000 0.809 203 E CB -0.307 29.379 29.700 -0.022 0.000 0.756 203 E HN 0.340 nan 8.360 nan 0.000 0.459 204 A N 1.653 124.295 122.820 -0.295 0.000 1.933 204 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 204 A C 2.275 179.737 177.584 -0.202 0.000 1.175 204 A CA 0.943 52.751 52.037 -0.381 0.000 0.628 204 A CB -0.726 17.949 19.000 -0.541 0.000 0.814 204 A HN 0.194 nan 8.150 nan 0.000 0.444 205 L N -0.892 120.137 121.223 -0.323 0.000 2.549 205 L HA -0.103 4.236 4.340 -0.000 0.000 0.229 205 L C 1.969 178.794 176.870 -0.074 0.000 1.158 205 L CA 0.829 55.580 54.840 -0.148 0.000 0.842 205 L CB -0.375 41.358 42.059 -0.544 0.000 0.952 205 L HN 0.389 nan 8.230 nan 0.000 0.452 206 K N -0.949 119.328 120.400 -0.204 0.000 2.418 206 K HA 0.021 4.340 4.320 -0.000 0.000 0.195 206 K C 0.158 176.657 176.600 -0.167 0.000 1.035 206 K CA 0.100 56.262 56.287 -0.209 0.000 1.003 206 K CB 0.017 32.360 32.500 -0.263 0.000 0.793 206 K HN 0.388 nan 8.250 nan 0.000 0.494 207 H N 1.102 120.175 119.070 0.005 0.000 2.707 207 H HA 0.054 4.609 4.556 -0.000 0.000 0.359 207 H C 0.074 175.492 175.328 0.151 0.000 1.113 207 H CA -0.078 55.963 56.048 -0.011 0.000 1.422 207 H CB 0.685 30.375 29.762 -0.120 0.000 1.443 207 H HN -0.126 nan 8.280 nan 0.000 0.591 208 E N 2.549 122.901 120.200 0.253 0.000 2.180 208 E HA 0.159 4.509 4.350 -0.000 0.000 0.283 208 E C -0.640 176.155 176.600 0.324 0.000 1.061 208 E CA -0.273 56.282 56.400 0.257 0.000 0.861 208 E CB 0.792 30.589 29.700 0.161 0.000 1.056 208 E HN 0.412 nan 8.360 nan 0.000 0.407 209 V N 0.602 120.691 119.914 0.293 0.000 3.001 209 V HA 0.441 4.561 4.120 -0.000 0.000 0.314 209 V C 0.251 176.393 176.094 0.080 0.000 1.099 209 V CA -0.765 61.626 62.300 0.152 0.000 0.989 209 V CB 2.218 34.067 31.823 0.044 0.000 1.040 209 V HN 0.384 nan 8.190 nan 0.000 0.434 210 D N 0.969 121.363 120.400 -0.011 0.000 2.366 210 D HA 0.305 4.944 4.640 -0.000 0.000 0.205 210 D C -0.092 176.190 176.300 -0.030 0.000 1.022 210 D CA 0.908 54.902 54.000 -0.011 0.000 0.868 210 D CB 1.526 42.303 40.800 -0.038 0.000 0.953 210 D HN 0.458 nan 8.370 nan 0.000 0.514 211 L N 0.744 121.916 121.223 -0.084 0.000 2.565 211 L HA 0.387 4.727 4.340 -0.000 0.000 0.261 211 L C -1.908 174.872 176.870 -0.149 0.000 0.932 211 L CA -0.503 54.289 54.840 -0.080 0.000 0.878 211 L CB 2.127 44.159 42.059 -0.046 0.000 1.333 211 L HN -0.242 nan 8.230 nan 0.000 0.409 212 I N 5.711 126.190 120.570 -0.152 0.000 2.354 212 I HA 0.472 4.641 4.170 -0.000 0.000 0.292 212 I C -0.500 175.520 176.117 -0.161 0.000 0.989 212 I CA -0.452 60.737 61.300 -0.185 0.000 1.188 212 I CB 1.624 39.483 38.000 -0.235 0.000 1.342 212 I HN 0.480 nan 8.210 nan 0.000 0.457 213 I N 6.695 127.195 120.570 -0.118 0.000 2.354 213 I HA 0.365 4.535 4.170 -0.000 0.000 0.292 213 I C -0.449 175.611 176.117 -0.095 0.000 0.989 213 I CA -0.600 60.641 61.300 -0.099 0.000 1.188 213 I CB 1.549 39.571 38.000 0.036 0.000 1.342 213 I HN 0.314 nan 8.210 nan 0.000 0.457 214 I N 7.714 128.127 120.570 -0.261 0.000 2.405 214 I HA 0.225 4.394 4.170 -0.000 0.000 0.280 214 I C 0.133 176.224 176.117 -0.044 0.000 1.027 214 I CA -0.597 60.601 61.300 -0.171 0.000 1.161 214 I CB 1.262 38.946 38.000 -0.527 0.000 1.300 214 I HN 0.251 nan 8.210 nan 0.000 0.463 215 V N 3.496 123.478 119.914 0.113 0.000 2.686 215 V HA 1.046 5.166 4.120 -0.000 0.000 0.295 215 V C 0.207 176.499 176.094 0.330 0.000 1.057 215 V CA -0.068 62.351 62.300 0.197 0.000 1.012 215 V CB 1.415 33.296 31.823 0.097 0.000 1.006 215 V HN 0.907 nan 8.190 nan 0.000 0.477 216 G N 1.755 110.829 108.800 0.456 0.000 2.716 216 G HA2 0.371 4.331 3.960 -0.000 0.000 0.299 216 G HA3 0.371 4.331 3.960 -0.000 0.000 0.299 216 G C -1.576 173.589 174.900 0.442 0.000 1.450 216 G CA -0.787 44.645 45.100 0.553 0.000 0.968 216 G HN 1.286 nan 8.290 nan 0.000 0.566 217 H N 1.055 120.268 119.070 0.239 0.000 3.045 217 H HA 0.573 5.128 4.556 -0.000 0.000 0.254 217 H C -0.205 175.210 175.328 0.145 0.000 1.747 217 H CA 0.931 57.090 56.048 0.185 0.000 1.444 217 H CB 0.032 29.880 29.762 0.142 0.000 1.778 217 H HN 0.377 nan 8.280 nan 0.000 0.544 218 T N 5.059 119.512 114.554 -0.169 0.000 3.193 218 T HA 0.200 4.549 4.350 -0.000 0.000 0.332 218 T C -2.873 171.482 174.700 -0.575 0.000 1.208 218 T CA -1.244 60.568 62.100 -0.480 0.000 1.080 218 T CB 1.888 70.338 68.868 -0.696 0.000 1.180 218 T HN 0.208 nan 8.240 nan 0.000 0.469 219 P HA 0.200 nan 4.420 nan 0.000 0.266 219 P C 1.005 178.148 177.300 -0.261 0.000 1.195 219 P CA -0.296 62.476 63.100 -0.547 0.000 0.768 219 P CB 0.321 31.588 31.700 -0.721 0.000 0.838 220 I N -0.606 119.951 120.570 -0.021 0.000 3.419 220 I HA 0.071 4.241 4.170 -0.000 0.000 0.286 220 I C 0.837 176.907 176.117 -0.079 0.000 1.268 220 I CA 0.209 61.586 61.300 0.129 0.000 1.414 220 I CB -0.200 37.871 38.000 0.119 0.000 1.074 220 I HN 0.147 nan 8.210 nan 0.000 0.457 221 S N 1.362 117.011 115.700 -0.085 0.000 2.558 221 S HA -0.064 4.406 4.470 -0.000 0.000 0.293 221 S C 1.331 175.871 174.600 -0.100 0.000 1.292 221 S CA -0.074 58.058 58.200 -0.113 0.000 1.063 221 S CB 0.102 63.308 63.200 0.010 0.000 0.831 221 S HN 0.422 nan 8.310 nan 0.000 0.499 222 H N 4.196 123.196 119.070 -0.116 0.000 2.457 222 H HA -0.048 4.507 4.556 -0.000 0.000 0.297 222 H C 1.745 177.017 175.328 -0.094 0.000 1.092 222 H CA 1.355 57.301 56.048 -0.170 0.000 1.309 222 H CB -0.159 29.449 29.762 -0.255 0.000 1.382 222 H HN 0.587 nan 8.280 nan 0.000 0.535 223 N N 0.022 118.768 118.700 0.076 0.000 2.381 223 N HA -0.147 4.592 4.740 -0.000 0.000 0.182 223 N C 1.889 177.438 175.510 0.066 0.000 1.025 223 N CA 0.346 53.426 53.050 0.051 0.000 0.888 223 N CB -0.132 38.392 38.487 0.061 0.000 0.965 223 N HN 0.513 nan 8.380 nan 0.000 0.438 224 W N 0.850 122.113 121.300 -0.062 0.000 2.501 224 W HA 0.009 4.669 4.660 -0.000 0.000 0.309 224 W C 1.142 177.636 176.519 -0.041 0.000 1.165 224 W CA 1.920 59.221 57.345 -0.073 0.000 1.381 224 W CB -0.093 29.302 29.460 -0.108 0.000 1.142 224 W HN 0.230 nan 8.180 nan 0.000 0.509 225 G N 0.675 109.601 108.800 0.211 0.000 2.176 225 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.253 225 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.253 225 G C 0.893 175.915 174.900 0.204 0.000 0.979 225 G CA 0.632 45.823 45.100 0.152 0.000 0.641 225 G HN 0.444 nan 8.290 nan 0.000 0.530 226 E N -0.665 119.671 120.200 0.227 0.000 2.046 226 E HA 0.024 4.373 4.350 -0.000 0.000 0.190 226 E C 1.993 178.740 176.600 0.245 0.000 0.982 226 E CA 0.970 57.473 56.400 0.172 0.000 0.800 226 E CB -0.167 29.639 29.700 0.177 0.000 0.756 226 E HN 0.445 nan 8.360 nan 0.000 0.449 227 F N 0.112 120.205 119.950 0.237 0.000 2.216 227 F HA -0.191 4.335 4.527 -0.000 0.000 0.300 227 F C 2.223 178.153 175.800 0.216 0.000 1.085 227 F CA 0.755 58.850 58.000 0.158 0.000 1.326 227 F CB -0.920 38.116 39.000 0.060 0.000 1.027 227 F HN 0.119 nan 8.300 nan 0.000 0.497 228 Y N 0.940 121.500 120.300 0.433 0.000 2.181 228 Y HA -0.256 4.294 4.550 -0.000 0.000 0.288 228 Y C 2.429 178.502 175.900 0.288 0.000 1.146 228 Y CA 1.878 60.217 58.100 0.399 0.000 1.164 228 Y CB -0.514 38.110 38.460 0.272 0.000 0.982 228 Y HN 0.121 nan 8.280 nan 0.000 0.515 229 Q N -0.962 118.973 119.800 0.225 0.000 2.079 229 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 229 Q C 2.318 178.335 176.000 0.027 0.000 0.974 229 Q CA 1.876 57.725 55.803 0.076 0.000 0.840 229 Q CB -0.277 28.501 28.738 0.066 0.000 0.898 229 Q HN 0.383 nan 8.270 nan 0.000 0.430 230 V N 0.239 120.176 119.914 0.039 0.000 2.332 230 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 230 V C 2.087 178.274 176.094 0.154 0.000 1.055 230 V CA 2.279 64.583 62.300 0.007 0.000 1.038 230 V CB -0.679 31.127 31.823 -0.029 0.000 0.651 230 V HN 0.414 nan 8.190 nan 0.000 0.450 231 H N 0.089 119.207 119.070 0.081 0.000 2.352 231 H HA -0.151 4.405 4.556 -0.000 0.000 0.299 231 H C 2.412 177.763 175.328 0.040 0.000 1.097 231 H CA 1.913 58.006 56.048 0.074 0.000 1.311 231 H CB -0.014 29.756 29.762 0.013 0.000 1.377 231 H HN 0.329 nan 8.280 nan 0.000 0.504 232 Q N -0.682 119.068 119.800 -0.082 0.000 2.050 232 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 232 Q C 2.180 178.189 176.000 0.015 0.000 0.980 232 Q CA 1.646 57.380 55.803 -0.114 0.000 0.840 232 Q CB -0.817 27.834 28.738 -0.144 0.000 0.898 232 Q HN 0.590 nan 8.270 nan 0.000 0.424 233 Y N 1.202 121.494 120.300 -0.013 0.000 2.145 233 Y HA -0.201 4.348 4.550 -0.000 0.000 0.286 233 Y C 2.239 178.277 175.900 0.230 0.000 1.145 233 Y CA 1.367 59.530 58.100 0.104 0.000 1.148 233 Y CB -0.320 38.167 38.460 0.045 0.000 0.981 233 Y HN 0.011 nan 8.280 nan 0.000 0.507 234 L N -0.502 120.890 121.223 0.282 0.000 2.083 234 L HA -0.235 4.104 4.340 -0.000 0.000 0.209 234 L C 2.505 179.508 176.870 0.222 0.000 1.083 234 L CA 1.093 56.102 54.840 0.282 0.000 0.752 234 L CB -0.458 41.707 42.059 0.175 0.000 0.899 234 L HN 0.113 nan 8.230 nan 0.000 0.433 235 R N 0.046 120.539 120.500 -0.012 0.000 2.189 235 R HA -0.126 4.214 4.340 -0.000 0.000 0.223 235 R C 2.127 178.403 176.300 -0.040 0.000 1.092 235 R CA 0.907 56.979 56.100 -0.047 0.000 0.989 235 R CB -0.312 29.882 30.300 -0.177 0.000 0.876 235 R HN 0.557 nan 8.270 nan 0.000 0.457 236 Q N -0.925 118.818 119.800 -0.095 0.000 2.084 236 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 236 Q C 1.428 177.162 176.000 -0.442 0.000 0.978 236 Q CA 1.588 57.204 55.803 -0.312 0.000 0.844 236 Q CB -0.044 28.387 28.738 -0.511 0.000 0.898 236 Q HN 0.309 nan 8.270 nan 0.000 0.426 237 F N -2.048 117.778 119.950 -0.207 0.000 2.530 237 F HA 0.131 4.657 4.527 -0.000 0.000 0.292 237 F C 0.279 175.761 175.800 -0.529 0.000 1.109 237 F CA 0.129 57.916 58.000 -0.356 0.000 1.450 237 F CB 0.669 39.450 39.000 -0.366 0.000 1.114 237 F HN -0.121 nan 8.300 nan 0.000 0.560 238 F N 0.985 120.988 119.950 0.088 0.000 2.769 238 F HA 0.334 4.861 4.527 -0.000 0.000 0.358 238 F C -1.971 173.839 175.800 0.016 0.000 1.285 238 F CA -2.013 56.019 58.000 0.052 0.000 1.199 238 F CB 0.685 39.724 39.000 0.066 0.000 1.558 238 F HN -0.252 nan 8.300 nan 0.000 0.583 239 P HA -0.036 nan 4.420 nan 0.000 0.231 239 P C 0.017 177.375 177.300 0.098 0.000 1.168 239 P CA 1.049 64.189 63.100 0.067 0.000 0.779 239 P CB 0.203 31.907 31.700 0.007 0.000 0.844 240 D N -2.565 117.909 120.400 0.123 0.000 2.760 240 D HA 0.101 4.740 4.640 -0.000 0.000 0.314 240 D C -0.401 175.984 176.300 0.143 0.000 1.464 240 D CA -0.371 53.703 54.000 0.123 0.000 0.797 240 D CB -0.651 40.203 40.800 0.090 0.000 1.149 240 D HN -0.216 nan 8.370 nan 0.000 0.455 241 T N 0.690 115.352 114.554 0.180 0.000 2.875 241 T HA 0.422 4.771 4.350 -0.000 0.000 0.284 241 T C 0.598 175.377 174.700 0.132 0.000 0.995 241 T CA -0.541 61.652 62.100 0.155 0.000 1.060 241 T CB 1.303 70.282 68.868 0.186 0.000 0.967 241 T HN 0.089 nan 8.240 nan 0.000 0.476 242 I N 3.292 123.929 120.570 0.112 0.000 2.533 242 I HA 0.186 4.356 4.170 -0.000 0.000 0.284 242 I C 0.005 176.174 176.117 0.086 0.000 1.109 242 I CA 0.300 61.692 61.300 0.153 0.000 1.412 242 I CB 0.186 38.269 38.000 0.138 0.000 1.396 242 I HN 0.411 nan 8.210 nan 0.000 0.543 243 I N 6.351 126.981 120.570 0.100 0.000 2.418 243 I HA 0.315 4.485 4.170 -0.000 0.000 0.287 243 I C -0.460 175.556 176.117 -0.168 0.000 1.008 243 I CA -0.763 60.492 61.300 -0.077 0.000 1.104 243 I CB 1.729 39.701 38.000 -0.046 0.000 1.264 243 I HN 0.467 nan 8.210 nan 0.000 0.438 244 Q N 5.801 125.409 119.800 -0.320 0.000 2.331 244 Q HA 0.454 4.794 4.340 -0.000 0.000 0.267 244 Q C -1.842 173.686 176.000 -0.786 0.000 1.006 244 Q CA -0.401 55.129 55.803 -0.456 0.000 0.818 244 Q CB 1.312 29.827 28.738 -0.371 0.000 1.276 244 Q HN 0.424 nan 8.270 nan 0.000 0.450 245 Y N 2.810 122.612 120.300 -0.831 0.000 2.387 245 Y HA 0.586 5.136 4.550 -0.000 0.000 0.330 245 Y C -0.579 174.713 175.900 -1.014 0.000 1.133 245 Y CA -0.549 57.050 58.100 -0.836 0.000 1.152 245 Y CB 1.260 39.166 38.460 -0.924 0.000 1.215 245 Y HN 0.524 nan 8.280 nan 0.000 0.466 246 F N 1.325 121.146 119.950 -0.214 0.000 2.716 246 F HA 0.535 5.062 4.527 -0.000 0.000 0.354 246 F C 0.453 176.293 175.800 0.067 0.000 1.168 246 F CA -0.756 57.074 58.000 -0.282 0.000 1.045 246 F CB 1.170 39.833 39.000 -0.562 0.000 1.311 246 F HN 0.589 nan 8.300 nan 0.000 0.477 247 G N 0.519 109.539 108.800 0.367 0.000 2.753 247 G HA2 0.812 4.771 3.960 -0.000 0.000 0.285 247 G HA3 0.812 4.771 3.960 -0.000 0.000 0.285 247 G C -0.318 174.784 174.900 0.336 0.000 1.344 247 G CA -0.386 44.984 45.100 0.451 0.000 1.050 247 G HN 0.895 nan 8.290 nan 0.000 0.532 248 G N -3.133 105.724 108.800 0.096 0.000 2.529 248 G HA2 0.490 4.450 3.960 -0.000 0.000 0.238 248 G HA3 0.490 4.450 3.960 -0.000 0.000 0.238 248 G C 0.066 174.802 174.900 -0.273 0.000 1.207 248 G CA 1.116 46.202 45.100 -0.023 0.000 0.928 248 G HN 1.683 nan 8.290 nan 0.000 0.495 249 H N -1.104 117.633 119.070 -0.556 0.000 4.844 249 H HA -0.312 4.243 4.556 -0.000 0.000 0.071 249 H C 2.014 177.192 175.328 -0.249 0.000 0.589 249 H CA 3.693 59.396 56.048 -0.575 0.000 1.006 249 H CB -1.462 27.728 29.762 -0.954 0.000 0.443 249 H HN 1.222 nan 8.280 nan 0.000 0.779 250 S N 0.250 115.713 115.700 -0.395 0.000 2.631 250 S HA 0.086 4.556 4.470 -0.000 0.000 0.217 250 S C 0.694 175.256 174.600 -0.064 0.000 0.958 250 S CA 0.722 58.712 58.200 -0.349 0.000 0.920 250 S CB -0.414 62.615 63.200 -0.285 0.000 0.776 250 S HN 0.830 nan 8.310 nan 0.000 0.517 251 H N 0.155 119.132 119.070 -0.155 0.000 3.080 251 H HA -0.144 4.412 4.556 -0.000 0.000 0.254 251 H C 0.025 175.233 175.328 -0.199 0.000 1.179 251 H CA 0.724 56.682 56.048 -0.150 0.000 1.144 251 H CB -1.966 27.719 29.762 -0.129 0.000 1.261 251 H HN 0.778 nan 8.280 nan 0.000 0.333 252 I N -1.739 118.783 120.570 -0.081 0.000 2.750 252 I HA 0.525 4.695 4.170 -0.000 0.000 0.308 252 I C 0.311 176.274 176.117 -0.257 0.000 1.016 252 I CA -1.229 59.947 61.300 -0.206 0.000 1.098 252 I CB 1.754 39.678 38.000 -0.126 0.000 1.279 252 I HN -0.090 nan 8.210 nan 0.000 0.454 253 R N 2.528 122.751 120.500 -0.461 0.000 2.347 253 R HA 0.387 4.727 4.340 -0.000 0.000 0.304 253 R C -1.078 174.989 176.300 -0.388 0.000 1.072 253 R CA -0.116 55.608 56.100 -0.626 0.000 0.980 253 R CB 0.326 29.883 30.300 -1.238 0.000 0.986 253 R HN 0.633 nan 8.270 nan 0.000 0.448 254 D N 1.620 121.986 120.400 -0.057 0.000 2.623 254 D HA 0.372 5.012 4.640 -0.000 0.000 0.241 254 D C -1.836 174.694 176.300 0.384 0.000 1.241 254 D CA -0.546 53.534 54.000 0.133 0.000 0.788 254 D CB 1.405 42.226 40.800 0.034 0.000 1.413 254 D HN 0.233 nan 8.370 nan 0.000 0.429 255 F N 1.452 121.461 119.950 0.098 0.000 2.588 255 F HA 0.496 5.022 4.527 -0.000 0.000 0.318 255 F C -0.854 174.857 175.800 -0.147 0.000 1.155 255 F CA -0.236 57.745 58.000 -0.031 0.000 0.967 255 F CB 1.727 40.687 39.000 -0.067 0.000 1.236 255 F HN 0.244 nan 8.300 nan 0.000 0.455 256 T N 2.422 116.542 114.554 -0.723 0.000 2.887 256 T HA 0.782 5.132 4.350 -0.000 0.000 0.288 256 T C -1.234 172.977 174.700 -0.814 0.000 1.021 256 T CA -0.895 60.801 62.100 -0.673 0.000 1.000 256 T CB 1.758 70.117 68.868 -0.848 0.000 1.034 256 T HN 0.372 nan 8.240 nan 0.000 0.467 257 V N 3.156 122.787 119.914 -0.471 0.000 2.394 257 V HA 0.358 4.478 4.120 -0.000 0.000 0.282 257 V C 0.091 176.046 176.094 -0.231 0.000 1.031 257 V CA -0.512 61.607 62.300 -0.302 0.000 0.881 257 V CB 0.668 32.474 31.823 -0.027 0.000 0.982 257 V HN 0.946 nan 8.190 nan 0.000 0.451 258 F N 2.023 121.830 119.950 -0.239 0.000 2.220 258 F HA 0.138 4.665 4.527 -0.000 0.000 0.290 258 F C 1.030 176.827 175.800 -0.004 0.000 1.080 258 F CA 0.735 58.628 58.000 -0.177 0.000 1.318 258 F CB 0.391 38.987 39.000 -0.673 0.000 1.063 258 F HN 0.747 nan 8.300 nan 0.000 0.498 259 D N -3.175 117.344 120.400 0.197 0.000 2.970 259 D HA 0.108 4.748 4.640 -0.000 0.000 0.344 259 D C 0.497 176.919 176.300 0.202 0.000 1.365 259 D CA 0.027 54.156 54.000 0.215 0.000 0.910 259 D CB 0.257 41.229 40.800 0.287 0.000 1.445 259 D HN -0.168 nan 8.370 nan 0.000 0.532 260 S N -1.083 114.753 115.700 0.226 0.000 2.507 260 S HA -0.009 4.460 4.470 -0.000 0.000 0.235 260 S C 1.040 175.872 174.600 0.386 0.000 0.988 260 S CA 0.449 58.812 58.200 0.272 0.000 0.944 260 S CB -0.563 62.767 63.200 0.217 0.000 0.762 260 S HN 0.453 nan 8.310 nan 0.000 0.526 261 L N 1.157 122.594 121.223 0.356 0.000 3.110 261 L HA 0.489 4.829 4.340 -0.000 0.000 0.266 261 L C 0.234 177.368 176.870 0.441 0.000 1.257 261 L CA -0.302 54.802 54.840 0.439 0.000 1.038 261 L CB 0.681 42.915 42.059 0.292 0.000 1.395 261 L HN 0.244 nan 8.230 nan 0.000 0.566 262 S N 0.058 115.883 115.700 0.209 0.000 2.563 262 S HA 0.606 5.076 4.470 -0.000 0.000 0.279 262 S C -0.516 173.885 174.600 -0.332 0.000 1.155 262 S CA -0.317 57.877 58.200 -0.010 0.000 0.928 262 S CB 1.485 64.755 63.200 0.117 0.000 1.107 262 S HN 0.259 nan 8.310 nan 0.000 0.462 263 T N 1.050 115.275 114.554 -0.548 0.000 2.865 263 T HA 0.908 5.258 4.350 -0.000 0.000 0.294 263 T C 0.006 174.442 174.700 -0.440 0.000 1.119 263 T CA -0.506 61.210 62.100 -0.640 0.000 1.007 263 T CB 1.442 69.577 68.868 -1.223 0.000 1.225 263 T HN 1.074 nan 8.240 nan 0.000 0.515 264 G N 0.146 108.623 108.800 -0.539 0.000 2.542 264 G HA2 0.643 4.603 3.960 -0.000 0.000 0.311 264 G HA3 0.643 4.603 3.960 -0.000 0.000 0.311 264 G C -1.881 172.743 174.900 -0.459 0.000 1.298 264 G CA -0.796 44.087 45.100 -0.362 0.000 0.973 264 G HN 0.870 nan 8.290 nan 0.000 0.487 265 L N 0.484 121.542 121.223 -0.275 0.000 2.365 265 L HA 0.742 5.081 4.340 -0.000 0.000 0.273 265 L C -0.378 176.626 176.870 0.224 0.000 1.000 265 L CA -0.642 54.249 54.840 0.085 0.000 0.819 265 L CB 2.243 44.391 42.059 0.147 0.000 1.284 265 L HN 0.575 nan 8.230 nan 0.000 0.418 266 Q N 2.047 122.060 119.800 0.355 0.000 2.356 266 Q HA 0.552 4.892 4.340 -0.000 0.000 0.270 266 Q C -1.114 175.100 176.000 0.356 0.000 1.058 266 Q CA -0.442 55.575 55.803 0.356 0.000 0.802 266 Q CB 2.032 30.875 28.738 0.174 0.000 1.303 266 Q HN 0.758 nan 8.270 nan 0.000 0.444 267 S N 2.306 118.176 115.700 0.283 0.000 2.592 267 S HA 0.461 4.930 4.470 -0.000 0.000 0.243 267 S C 0.252 174.860 174.600 0.014 0.000 1.160 267 S CA 0.024 58.344 58.200 0.200 0.000 1.145 267 S CB 0.659 63.977 63.200 0.197 0.000 0.909 267 S HN 1.056 nan 8.310 nan 0.000 0.487 268 G N 2.695 111.436 108.800 -0.097 0.000 2.512 268 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.254 268 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.254 268 G C -0.423 174.330 174.900 -0.245 0.000 1.199 268 G CA 0.000 44.963 45.100 -0.230 0.000 0.941 268 G HN 0.855 nan 8.290 nan 0.000 0.569 269 R N -2.930 117.363 120.500 -0.346 0.000 2.692 269 R HA 0.551 4.891 4.340 -0.000 0.000 0.269 269 R C 0.018 176.096 176.300 -0.371 0.000 1.030 269 R CA -0.372 55.412 56.100 -0.526 0.000 0.882 269 R CB 0.448 30.066 30.300 -1.136 0.000 1.250 269 R HN 1.502 nan 8.270 nan 0.000 0.465 270 Y N -0.389 119.709 120.300 -0.336 0.000 3.825 270 Y HA -0.276 4.274 4.550 -0.000 0.000 0.221 270 Y C 0.110 175.719 175.900 -0.486 0.000 1.195 270 Y CA 0.011 57.768 58.100 -0.571 0.000 1.699 270 Y CB -2.768 35.054 38.460 -1.062 0.000 1.531 270 Y HN 0.936 nan 8.280 nan 0.000 0.640 271 C N -0.816 118.390 119.300 -0.156 0.000 4.235 271 C HA -0.259 4.201 4.460 -0.000 0.000 0.301 271 C C 1.737 176.457 174.990 -0.450 0.000 1.409 271 C CA 1.098 59.882 59.018 -0.390 0.000 2.024 271 C CB -2.023 25.358 27.740 -0.598 0.000 1.286 271 C HN 0.729 nan 8.230 nan 0.000 0.746 272 E N -0.869 119.115 120.200 -0.361 0.000 2.400 272 E HA 0.029 4.379 4.350 -0.000 0.000 0.195 272 E C 0.729 177.321 176.600 -0.013 0.000 1.012 272 E CA 0.659 56.701 56.400 -0.596 0.000 0.875 272 E CB 0.413 29.458 29.700 -1.092 0.000 0.859 272 E HN 0.737 nan 8.360 nan 0.000 0.498 273 T N 0.566 115.212 114.554 0.153 0.000 2.952 273 T HA 0.340 4.690 4.350 -0.000 0.000 0.305 273 T C -0.858 174.051 174.700 0.348 0.000 1.064 273 T CA -0.600 61.652 62.100 0.254 0.000 1.008 273 T CB 2.497 71.433 68.868 0.113 0.000 1.078 273 T HN -0.250 nan 8.240 nan 0.000 0.459 274 V N 2.568 122.691 119.914 0.349 0.000 2.347 274 V HA 0.653 4.773 4.120 -0.000 0.000 0.280 274 V C 0.945 177.276 176.094 0.396 0.000 1.021 274 V CA -0.718 61.780 62.300 0.329 0.000 0.847 274 V CB 1.351 33.359 31.823 0.308 0.000 0.990 274 V HN 1.056 nan 8.190 nan 0.000 0.444 275 G N 4.213 113.265 108.800 0.419 0.000 2.467 275 G HA2 0.361 4.321 3.960 -0.000 0.000 0.257 275 G HA3 0.361 4.321 3.960 -0.000 0.000 0.257 275 G C -0.944 174.272 174.900 0.528 0.000 1.227 275 G CA -0.269 45.131 45.100 0.500 0.000 0.835 275 G HN 0.737 nan 8.290 nan 0.000 0.556 276 W N 1.345 122.763 121.300 0.196 0.000 2.998 276 W HA 0.613 5.272 4.660 -0.000 0.000 0.335 276 W C -1.477 175.113 176.519 0.118 0.000 1.110 276 W CA -0.618 56.799 57.345 0.121 0.000 1.230 276 W CB 2.329 31.770 29.460 -0.033 0.000 1.405 276 W HN 0.532 nan 8.180 nan 0.000 0.493 277 T N 3.263 117.593 114.554 -0.372 0.000 2.993 277 T HA 0.325 4.675 4.350 -0.000 0.000 0.312 277 T C -0.632 173.812 174.700 -0.427 0.000 1.115 277 T CA -0.434 61.549 62.100 -0.195 0.000 1.027 277 T CB 1.764 70.757 68.868 0.210 0.000 1.116 277 T HN 0.374 nan 8.240 nan 0.000 0.464 278 S N 1.242 116.802 115.700 -0.234 0.000 2.566 278 S HA 0.914 5.384 4.470 -0.000 0.000 0.298 278 S C -0.981 173.641 174.600 0.037 0.000 1.083 278 S CA -0.730 57.365 58.200 -0.174 0.000 0.978 278 S CB 1.629 64.765 63.200 -0.108 0.000 1.073 278 S HN 0.519 nan 8.310 nan 0.000 0.491 279 V N 2.417 122.319 119.914 -0.020 0.000 2.623 279 V HA 0.477 4.597 4.120 -0.000 0.000 0.304 279 V C -0.523 175.495 176.094 -0.127 0.000 1.054 279 V CA -0.934 61.303 62.300 -0.106 0.000 0.882 279 V CB 1.811 33.627 31.823 -0.010 0.000 1.002 279 V HN 0.997 nan 8.190 nan 0.000 0.424 280 N N 3.587 122.181 118.700 -0.177 0.000 2.497 280 N HA 0.314 5.053 4.740 -0.000 0.000 0.271 280 N C 0.045 175.483 175.510 -0.120 0.000 1.142 280 N CA -0.100 52.885 53.050 -0.109 0.000 0.965 280 N CB 1.480 39.917 38.487 -0.083 0.000 1.077 280 N HN 0.729 nan 8.380 nan 0.000 0.462 281 L N 1.863 123.046 121.223 -0.066 0.000 2.872 281 L HA 0.224 4.563 4.340 -0.000 0.000 0.245 281 L C 0.031 176.886 176.870 -0.025 0.000 1.211 281 L CA -0.452 54.359 54.840 -0.047 0.000 1.013 281 L CB -0.122 41.914 42.059 -0.039 0.000 1.326 281 L HN 0.346 nan 8.230 nan 0.000 0.525 282 D N 1.737 122.123 120.400 -0.023 0.000 2.419 282 D HA 0.021 4.660 4.640 -0.000 0.000 0.236 282 D C 0.439 176.743 176.300 0.006 0.000 1.165 282 D CA 0.389 54.386 54.000 -0.005 0.000 0.882 282 D CB 0.753 41.553 40.800 -0.001 0.000 1.201 282 D HN 0.070 nan 8.370 nan 0.000 0.443 283 K N 0.820 121.230 120.400 0.016 0.000 2.485 283 K HA 0.124 4.443 4.320 -0.000 0.000 0.277 283 K C 0.950 177.572 176.600 0.036 0.000 0.990 283 K CA -0.208 56.095 56.287 0.027 0.000 0.994 283 K CB 0.446 32.962 32.500 0.026 0.000 0.906 283 K HN 0.398 nan 8.250 nan 0.000 0.488 284 A N 3.323 126.173 122.820 0.049 0.000 1.978 284 A HA -0.207 4.112 4.320 -0.000 0.000 0.220 284 A C 1.212 178.830 177.584 0.057 0.000 1.170 284 A CA 1.895 53.970 52.037 0.064 0.000 0.636 284 A CB -0.432 18.615 19.000 0.079 0.000 0.810 284 A HN 0.850 nan 8.150 nan 0.000 0.448 285 D N 0.149 120.577 120.400 0.046 0.000 2.221 285 D HA -0.126 4.513 4.640 -0.000 0.000 0.204 285 D C 1.463 177.785 176.300 0.037 0.000 0.982 285 D CA 0.816 54.840 54.000 0.039 0.000 0.857 285 D CB -0.351 40.467 40.800 0.031 0.000 0.934 285 D HN 0.490 nan 8.370 nan 0.000 0.475 286 L N -0.137 121.108 121.223 0.036 0.000 2.551 286 L HA -0.019 4.321 4.340 -0.000 0.000 0.228 286 L C 0.025 176.919 176.870 0.041 0.000 1.153 286 L CA 0.061 54.921 54.840 0.034 0.000 0.851 286 L CB -0.515 41.560 42.059 0.028 0.000 0.959 286 L HN 0.001 nan 8.230 nan 0.000 0.451 287 N N 0.650 119.380 118.700 0.051 0.000 2.714 287 N HA -0.167 4.572 4.740 -0.000 0.000 0.253 287 N C -0.608 174.942 175.510 0.066 0.000 1.024 287 N CA 0.611 53.697 53.050 0.061 0.000 0.726 287 N CB -1.351 37.168 38.487 0.053 0.000 0.908 287 N HN 0.221 nan 8.380 nan 0.000 0.542 288 L N -0.079 121.187 121.223 0.071 0.000 2.380 288 L HA 0.363 4.703 4.340 -0.000 0.000 0.273 288 L C -1.314 175.618 176.870 0.104 0.000 1.138 288 L CA -1.588 53.296 54.840 0.074 0.000 0.832 288 L CB 0.061 42.156 42.059 0.060 0.000 1.124 288 L HN -0.014 nan 8.230 nan 0.000 0.454 289 P HA -0.053 nan 4.420 nan 0.000 0.267 289 P C 0.771 178.177 177.300 0.176 0.000 1.200 289 P CA -0.168 62.999 63.100 0.112 0.000 0.772 289 P CB 0.898 32.639 31.700 0.068 0.000 0.855 290 V N 3.649 123.708 119.914 0.242 0.000 2.392 290 V HA -0.261 3.859 4.120 -0.000 0.000 0.249 290 V C 1.990 178.383 176.094 0.497 0.000 1.059 290 V CA 1.868 64.435 62.300 0.445 0.000 1.051 290 V CB -0.570 31.524 31.823 0.452 0.000 0.658 290 V HN 0.485 nan 8.190 nan 0.000 0.455 291 R N -0.820 119.755 120.500 0.126 0.000 2.280 291 R HA -0.067 4.273 4.340 -0.000 0.000 0.207 291 R C 2.259 178.583 176.300 0.039 0.000 1.043 291 R CA 1.030 57.035 56.100 -0.158 0.000 1.006 291 R CB -0.149 29.860 30.300 -0.484 0.000 0.885 291 R HN 0.628 nan 8.270 nan 0.000 0.467 292 Q N 0.314 120.173 119.800 0.097 0.000 2.204 292 Q HA -0.044 4.295 4.340 -0.000 0.000 0.198 292 Q C 2.031 178.087 176.000 0.093 0.000 0.946 292 Q CA 0.720 56.573 55.803 0.083 0.000 0.859 292 Q CB 0.290 29.063 28.738 0.059 0.000 0.946 292 Q HN 0.196 nan 8.270 nan 0.000 0.474 293 R N -0.890 119.674 120.500 0.106 0.000 2.062 293 R HA 0.011 4.350 4.340 -0.000 0.000 0.226 293 R C -0.224 175.981 176.300 -0.159 0.000 1.125 293 R CA 0.568 56.622 56.100 -0.076 0.000 0.966 293 R CB 0.185 30.375 30.300 -0.184 0.000 0.861 293 R HN -0.005 nan 8.270 nan 0.000 0.433 294 F N -0.238 119.882 119.950 0.283 0.000 2.422 294 F HA 0.399 4.925 4.527 -0.000 0.000 0.333 294 F C 0.132 176.162 175.800 0.383 0.000 1.095 294 F CA -0.591 57.612 58.000 0.338 0.000 1.038 294 F CB 1.997 41.264 39.000 0.444 0.000 1.156 294 F HN -0.157 nan 8.300 nan 0.000 0.483 295 S N 1.976 117.926 115.700 0.417 0.000 2.541 295 S HA 0.854 5.324 4.470 -0.000 0.000 0.280 295 S C -1.201 173.450 174.600 0.085 0.000 1.112 295 S CA -0.836 57.532 58.200 0.281 0.000 0.925 295 S CB 1.205 64.549 63.200 0.240 0.000 1.067 295 S HN 0.726 nan 8.310 nan 0.000 0.479 296 R N 1.123 121.555 120.500 -0.113 0.000 2.771 296 R HA 0.899 5.239 4.340 -0.000 0.000 0.274 296 R C -1.247 174.936 176.300 -0.195 0.000 0.987 296 R CA -0.580 55.349 56.100 -0.285 0.000 0.908 296 R CB 1.301 31.003 30.300 -0.997 0.000 1.213 296 R HN 0.422 nan 8.270 nan 0.000 0.468 297 S N 0.419 116.044 115.700 -0.124 0.000 2.618 297 S HA 0.561 5.031 4.470 -0.000 0.000 0.277 297 S C -1.641 172.778 174.600 -0.302 0.000 1.138 297 S CA -0.776 57.291 58.200 -0.220 0.000 0.844 297 S CB 0.977 64.136 63.200 -0.068 0.000 1.127 297 S HN 0.514 nan 8.310 nan 0.000 0.474 298 Y N 0.796 121.197 120.300 0.167 0.000 2.326 298 Y HA 0.583 5.132 4.550 -0.000 0.000 0.331 298 Y C -0.281 175.741 175.900 0.202 0.000 0.962 298 Y CA -0.749 57.467 58.100 0.194 0.000 1.167 298 Y CB 0.661 39.218 38.460 0.162 0.000 1.148 298 Y HN 0.403 nan 8.280 nan 0.000 0.463 299 I N 4.027 124.805 120.570 0.347 0.000 2.336 299 I HA 0.193 4.363 4.170 -0.000 0.000 0.292 299 I C -0.393 175.907 176.117 0.305 0.000 0.991 299 I CA -0.704 60.771 61.300 0.291 0.000 1.227 299 I CB 0.778 38.922 38.000 0.241 0.000 1.366 299 I HN 0.554 nan 8.210 nan 0.000 0.466 300 D N 5.158 125.733 120.400 0.292 0.000 2.443 300 D HA -0.012 4.627 4.640 -0.000 0.000 0.239 300 D C -0.237 176.151 176.300 0.147 0.000 1.136 300 D CA 0.310 54.494 54.000 0.307 0.000 0.879 300 D CB 0.786 41.746 40.800 0.267 0.000 1.195 300 D HN 0.317 nan 8.370 nan 0.000 0.443 301 F N 3.106 123.124 119.950 0.113 0.000 2.626 301 F HA 0.067 4.594 4.527 -0.000 0.000 0.353 301 F C 0.169 175.807 175.800 -0.271 0.000 1.230 301 F CA -0.535 57.433 58.000 -0.054 0.000 1.298 301 F CB -0.433 38.647 39.000 0.134 0.000 1.670 301 F HN 0.252 nan 8.300 nan 0.000 0.633 302 N N -1.790 116.533 118.700 -0.628 0.000 2.610 302 N HA 0.216 4.956 4.740 -0.000 0.000 0.264 302 N C 0.340 175.336 175.510 -0.857 0.000 1.348 302 N CA -0.366 52.403 53.050 -0.468 0.000 0.819 302 N CB 0.866 39.297 38.487 -0.093 0.000 1.521 302 N HN -0.038 nan 8.380 nan 0.000 0.497 303 T N -3.642 110.649 114.554 -0.438 0.000 2.995 303 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 303 T C 0.963 175.444 174.700 -0.365 0.000 1.091 303 T CA 1.434 63.286 62.100 -0.413 0.000 1.128 303 T CB -0.438 68.301 68.868 -0.214 0.000 0.891 303 T HN 0.608 nan 8.240 nan 0.000 0.492 304 D N 1.375 121.632 120.400 -0.238 0.000 2.097 304 D HA -0.086 4.554 4.640 -0.000 0.000 0.195 304 D C 2.320 178.496 176.300 -0.206 0.000 0.989 304 D CA 1.326 55.239 54.000 -0.146 0.000 0.827 304 D CB -0.269 40.495 40.800 -0.061 0.000 0.966 304 D HN 0.327 nan 8.370 nan 0.000 0.456 305 S N -0.753 114.780 115.700 -0.278 0.000 2.356 305 S HA -0.111 4.359 4.470 -0.000 0.000 0.223 305 S C 1.707 176.155 174.600 -0.253 0.000 1.032 305 S CA 0.658 58.589 58.200 -0.448 0.000 1.005 305 S CB -0.405 62.668 63.200 -0.211 0.000 0.867 305 S HN 0.269 nan 8.310 nan 0.000 0.449 306 F N 1.865 121.575 119.950 -0.399 0.000 2.095 306 F HA -0.060 4.466 4.527 -0.001 0.000 0.298 306 F C 2.186 177.902 175.800 -0.141 0.000 1.104 306 F CA 0.797 58.551 58.000 -0.411 0.000 1.232 306 F CB -1.021 37.696 39.000 -0.471 0.000 0.987 306 F HN 0.181 nan 8.300 nan 0.000 0.475 307 K N -1.167 119.105 120.400 -0.214 0.000 2.097 307 K HA -0.216 4.104 4.320 -0.000 0.000 0.205 307 K C 2.053 178.625 176.600 -0.047 0.000 1.050 307 K CA 1.383 57.574 56.287 -0.160 0.000 0.938 307 K CB -0.602 31.755 32.500 -0.238 0.000 0.718 307 K HN 0.223 nan 8.250 nan 0.000 0.442 308 Y N 1.343 121.488 120.300 -0.258 0.000 2.128 308 Y HA -0.283 4.267 4.550 -0.000 0.000 0.284 308 Y C 2.247 178.028 175.900 -0.198 0.000 1.154 308 Y CA 1.736 59.646 58.100 -0.316 0.000 1.149 308 Y CB -0.067 37.982 38.460 -0.686 0.000 0.976 308 Y HN 0.178 nan 8.280 nan 0.000 0.505 309 H N -1.342 117.817 119.070 0.150 0.000 2.462 309 H HA -0.032 4.524 4.556 -0.000 0.000 0.292 309 H C 2.220 177.653 175.328 0.175 0.000 1.049 309 H CA 1.694 57.846 56.048 0.172 0.000 1.334 309 H CB -0.758 29.180 29.762 0.293 0.000 1.404 309 H HN 0.494 nan 8.280 nan 0.000 0.544 310 T N -2.332 112.409 114.554 0.312 0.000 3.081 310 T HA -0.014 4.336 4.350 -0.000 0.000 0.255 310 T C 0.797 175.515 174.700 0.031 0.000 1.113 310 T CA 0.431 62.656 62.100 0.209 0.000 1.082 310 T CB -0.173 68.891 68.868 0.328 0.000 0.939 310 T HN 0.227 nan 8.240 nan 0.000 0.506 311 N N 0.339 119.014 118.700 -0.042 0.000 2.747 311 N HA -0.107 4.633 4.740 -0.000 0.000 0.249 311 N C -1.201 174.266 175.510 -0.071 0.000 1.107 311 N CA 0.459 53.444 53.050 -0.109 0.000 0.707 311 N CB -1.477 36.930 38.487 -0.132 0.000 1.054 311 N HN 0.576 nan 8.380 nan 0.000 0.555 312 L N -1.295 119.916 121.223 -0.019 0.000 2.401 312 L HA 0.493 4.832 4.340 -0.000 0.000 0.266 312 L C 0.301 177.206 176.870 0.058 0.000 0.991 312 L CA -0.743 54.093 54.840 -0.006 0.000 0.818 312 L CB 2.078 44.093 42.059 -0.074 0.000 1.321 312 L HN -0.013 nan 8.230 nan 0.000 0.413 313 D N -0.220 120.210 120.400 0.050 0.000 3.195 313 D HA 0.007 4.647 4.640 -0.000 0.000 0.245 313 D C 1.341 177.703 176.300 0.104 0.000 1.462 313 D CA -0.153 53.883 54.000 0.060 0.000 1.259 313 D CB 0.380 41.187 40.800 0.012 0.000 1.199 313 D HN 0.335 nan 8.370 nan 0.000 0.345 314 K N 0.963 121.401 120.400 0.062 0.000 2.097 314 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 314 K C 0.934 177.580 176.600 0.078 0.000 1.049 314 K CA 1.303 57.627 56.287 0.062 0.000 0.933 314 K CB 0.123 32.642 32.500 0.032 0.000 0.717 314 K HN -0.054 nan 8.250 nan 0.000 0.442 315 E N -0.550 119.685 120.200 0.058 0.000 2.419 315 E HA 0.002 4.352 4.350 -0.000 0.000 0.190 315 E C 0.953 177.579 176.600 0.043 0.000 1.040 315 E CA -0.084 56.334 56.400 0.030 0.000 0.900 315 E CB -0.270 29.413 29.700 -0.028 0.000 1.054 315 E HN 0.296 nan 8.360 nan 0.000 0.462 316 F N 1.982 121.937 119.950 0.008 0.000 2.084 316 F HA -0.072 4.455 4.527 -0.001 0.000 0.296 316 F C 0.557 176.524 175.800 0.277 0.000 1.111 316 F CA 0.689 58.748 58.000 0.097 0.000 1.224 316 F CB 0.260 39.329 39.000 0.115 0.000 0.991 316 F HN -0.190 nan 8.300 nan 0.000 0.471 317 D N 1.349 121.817 120.400 0.113 0.000 2.455 317 D HA 0.102 4.741 4.640 -0.000 0.000 0.241 317 D C 0.352 176.620 176.300 -0.055 0.000 1.138 317 D CA 0.727 54.727 54.000 -0.000 0.000 0.877 317 D CB 0.823 41.690 40.800 0.113 0.000 1.187 317 D HN 0.251 nan 8.370 nan 0.000 0.451 318 T N -2.089 112.385 114.554 -0.134 0.000 2.932 318 T HA 0.609 4.959 4.350 -0.000 0.000 0.289 318 T C 1.129 175.782 174.700 -0.078 0.000 1.039 318 T CA -0.569 61.456 62.100 -0.125 0.000 1.024 318 T CB 1.887 70.608 68.868 -0.245 0.000 1.090 318 T HN 0.190 nan 8.240 nan 0.000 0.496 319 A N 1.216 123.999 122.820 -0.062 0.000 1.883 319 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 319 A C 2.260 179.816 177.584 -0.045 0.000 1.186 319 A CA 1.987 54.001 52.037 -0.040 0.000 0.624 319 A CB -0.917 18.062 19.000 -0.035 0.000 0.822 319 A HN 0.965 nan 8.150 nan 0.000 0.444 320 K N -0.717 119.638 120.400 -0.075 0.000 2.057 320 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 320 K C 2.039 178.601 176.600 -0.063 0.000 1.049 320 K CA 1.376 57.618 56.287 -0.074 0.000 0.931 320 K CB -0.518 31.917 32.500 -0.109 0.000 0.714 320 K HN 0.392 nan 8.250 nan 0.000 0.440 321 G N 1.200 109.946 108.800 -0.090 0.000 2.421 321 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 321 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 321 G C 1.290 176.204 174.900 0.023 0.000 1.171 321 G CA 0.803 45.870 45.100 -0.054 0.000 0.775 321 G HN 0.289 nan 8.290 nan 0.000 0.543 322 K N -0.157 120.255 120.400 0.021 0.000 2.147 322 K HA 0.154 4.474 4.320 -0.000 0.000 0.205 322 K C 2.425 179.055 176.600 0.050 0.000 1.049 322 K CA 0.404 56.723 56.287 0.053 0.000 0.936 322 K CB -0.214 32.312 32.500 0.043 0.000 0.722 322 K HN 0.232 nan 8.250 nan 0.000 0.446 323 L N 0.408 121.648 121.223 0.028 0.000 2.046 323 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 323 L C 2.193 179.091 176.870 0.046 0.000 1.077 323 L CA 0.988 55.845 54.840 0.028 0.000 0.747 323 L CB -0.288 41.775 42.059 0.008 0.000 0.896 323 L HN 0.031 nan 8.230 nan 0.000 0.432 324 V N -1.043 118.906 119.914 0.059 0.000 2.307 324 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 324 V C 2.519 178.694 176.094 0.134 0.000 1.045 324 V CA 1.894 64.254 62.300 0.101 0.000 1.024 324 V CB -0.309 31.588 31.823 0.123 0.000 0.651 324 V HN 0.392 nan 8.190 nan 0.000 0.449 325 S N -0.402 115.382 115.700 0.140 0.000 2.383 325 S HA -0.281 4.189 4.470 -0.000 0.000 0.229 325 S C 1.999 176.665 174.600 0.110 0.000 1.030 325 S CA 1.886 60.177 58.200 0.151 0.000 1.002 325 S CB -0.326 62.968 63.200 0.157 0.000 0.829 325 S HN 0.595 nan 8.310 nan 0.000 0.467 326 K N 0.779 121.230 120.400 0.085 0.000 2.057 326 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 326 K C 2.167 178.799 176.600 0.055 0.000 1.049 326 K CA 1.081 57.406 56.287 0.063 0.000 0.931 326 K CB -0.282 32.247 32.500 0.049 0.000 0.714 326 K HN 0.256 nan 8.250 nan 0.000 0.440 327 L N 1.589 122.847 121.223 0.057 0.000 2.083 327 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 327 L C 1.863 178.764 176.870 0.052 0.000 1.083 327 L CA 1.470 56.338 54.840 0.047 0.000 0.752 327 L CB -0.193 41.893 42.059 0.046 0.000 0.899 327 L HN 0.221 nan 8.230 nan 0.000 0.433 328 I N -0.864 119.753 120.570 0.079 0.000 2.202 328 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 328 I C 2.626 178.770 176.117 0.045 0.000 1.091 328 I CA 1.182 62.528 61.300 0.077 0.000 1.368 328 I CB -0.382 37.696 38.000 0.129 0.000 1.058 328 I HN 0.207 nan 8.210 nan 0.000 0.410 329 R N 0.735 121.266 120.500 0.051 0.000 2.083 329 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 329 R C 2.208 178.520 176.300 0.021 0.000 1.137 329 R CA 1.666 57.788 56.100 0.036 0.000 0.951 329 R CB -0.437 29.891 30.300 0.046 0.000 0.851 329 R HN 0.465 nan 8.270 nan 0.000 0.434 330 E N -0.286 119.928 120.200 0.022 0.000 2.077 330 E HA -0.139 4.210 4.350 -0.000 0.000 0.193 330 E C 1.968 178.568 176.600 0.000 0.000 0.989 330 E CA 1.709 58.116 56.400 0.012 0.000 0.800 330 E CB -0.037 29.671 29.700 0.014 0.000 0.746 330 E HN 0.318 nan 8.360 nan 0.000 0.452 331 T N 0.835 115.388 114.554 -0.001 0.000 2.746 331 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 331 T C 1.783 176.462 174.700 -0.036 0.000 1.039 331 T CA 1.058 63.147 62.100 -0.018 0.000 1.142 331 T CB -0.155 68.704 68.868 -0.015 0.000 0.866 331 T HN 0.131 nan 8.240 nan 0.000 0.444 332 R N 0.871 121.351 120.500 -0.034 0.000 2.083 332 R HA -0.038 4.301 4.340 -0.000 0.000 0.237 332 R C 2.640 178.915 176.300 -0.042 0.000 1.137 332 R CA 0.976 57.044 56.100 -0.053 0.000 0.951 332 R CB -0.157 30.115 30.300 -0.046 0.000 0.851 332 R HN 0.183 nan 8.270 nan 0.000 0.434 333 K N 1.010 121.397 120.400 -0.022 0.000 2.009 333 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 333 K C 1.957 178.546 176.600 -0.018 0.000 1.049 333 K CA 1.392 57.670 56.287 -0.015 0.000 0.929 333 K CB -0.335 32.163 32.500 -0.003 0.000 0.714 333 K HN 0.302 nan 8.250 nan 0.000 0.440 334 E N 0.617 120.805 120.200 -0.020 0.000 2.070 334 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 334 E C 1.813 178.395 176.600 -0.030 0.000 1.004 334 E CA 1.142 57.529 56.400 -0.021 0.000 0.805 334 E CB -0.010 29.676 29.700 -0.022 0.000 0.744 334 E HN 0.230 nan 8.360 nan 0.000 0.451 335 L N -0.120 121.075 121.223 -0.047 0.000 2.599 335 L HA 0.080 4.420 4.340 -0.000 0.000 0.230 335 L C 0.717 177.555 176.870 -0.053 0.000 1.141 335 L CA 0.205 55.007 54.840 -0.064 0.000 0.877 335 L CB -0.032 41.963 42.059 -0.106 0.000 1.009 335 L HN 0.075 nan 8.230 nan 0.000 0.447 336 K N -0.439 119.938 120.400 -0.039 0.000 3.069 336 K HA -0.204 4.116 4.320 -0.000 0.000 0.267 336 K C 1.018 177.597 176.600 -0.036 0.000 1.082 336 K CA 0.103 56.374 56.287 -0.026 0.000 0.782 336 K CB -1.530 30.964 32.500 -0.009 0.000 1.230 336 K HN 0.297 nan 8.250 nan 0.000 0.488 337 L N -0.057 121.128 121.223 -0.063 0.000 2.131 337 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 337 L C 1.364 178.189 176.870 -0.076 0.000 1.092 337 L CA 1.266 56.055 54.840 -0.086 0.000 0.759 337 L CB -0.126 41.850 42.059 -0.137 0.000 0.903 337 L HN 0.265 nan 8.230 nan 0.000 0.435 338 D N -0.974 119.392 120.400 -0.057 0.000 2.342 338 D HA 0.032 4.672 4.640 -0.000 0.000 0.221 338 D C 0.442 176.720 176.300 -0.035 0.000 1.101 338 D CA 0.210 54.180 54.000 -0.050 0.000 0.837 338 D CB 0.217 40.998 40.800 -0.033 0.000 0.938 338 D HN 0.115 nan 8.370 nan 0.000 0.508 339 T N 1.867 116.405 114.554 -0.027 0.000 2.829 339 T HA 0.030 4.380 4.350 -0.000 0.000 0.293 339 T C 0.433 175.122 174.700 -0.020 0.000 0.970 339 T CA -0.377 61.715 62.100 -0.013 0.000 1.168 339 T CB 0.606 69.474 68.868 0.000 0.000 0.911 339 T HN 0.006 nan 8.240 nan 0.000 0.535 340 L N 5.264 126.475 121.223 -0.020 0.000 2.455 340 L HA 0.224 4.563 4.340 -0.000 0.000 0.272 340 L C 0.852 177.727 176.870 0.008 0.000 1.174 340 L CA 0.629 55.447 54.840 -0.036 0.000 0.869 340 L CB 0.099 42.127 42.059 -0.052 0.000 1.130 340 L HN 0.713 nan 8.230 nan 0.000 0.474 341 I N 3.079 123.677 120.570 0.047 0.000 3.039 341 I HA 0.346 4.515 4.170 -0.000 0.000 0.270 341 I C 1.087 177.255 176.117 0.086 0.000 1.150 341 I CA 0.609 61.975 61.300 0.110 0.000 1.448 341 I CB 0.232 38.378 38.000 0.244 0.000 1.197 341 I HN 0.778 nan 8.210 nan 0.000 0.450 342 G N -0.967 107.871 108.800 0.064 0.000 2.427 342 G HA2 0.363 4.323 3.960 -0.000 0.000 0.306 342 G HA3 0.363 4.323 3.960 -0.000 0.000 0.306 342 G C -2.109 172.737 174.900 -0.090 0.000 1.280 342 G CA -0.496 44.625 45.100 0.035 0.000 0.837 342 G HN -0.134 nan 8.290 nan 0.000 0.482 343 Y N -0.691 119.649 120.300 0.066 0.000 2.409 343 Y HA 0.574 5.123 4.550 -0.001 0.000 0.343 343 Y C 0.252 176.196 175.900 0.074 0.000 0.973 343 Y CA -0.740 57.413 58.100 0.088 0.000 1.064 343 Y CB 2.620 41.117 38.460 0.062 0.000 1.207 343 Y HN 0.312 nan 8.280 nan 0.000 0.452 344 V N 4.409 124.476 119.914 0.254 0.000 2.407 344 V HA 0.186 4.305 4.120 -0.000 0.000 0.278 344 V C 0.587 176.814 176.094 0.220 0.000 1.037 344 V CA -0.695 61.739 62.300 0.224 0.000 0.900 344 V CB 1.456 33.426 31.823 0.245 0.000 0.983 344 V HN 0.848 nan 8.190 nan 0.000 0.459 345 K N 1.749 122.265 120.400 0.194 0.000 2.243 345 K HA 0.090 4.410 4.320 -0.000 0.000 0.201 345 K C 0.745 177.391 176.600 0.077 0.000 1.051 345 K CA 0.732 57.097 56.287 0.130 0.000 0.970 345 K CB 0.330 32.894 32.500 0.107 0.000 0.755 345 K HN 0.686 nan 8.250 nan 0.000 0.465 346 T N -0.164 114.414 114.554 0.040 0.000 2.843 346 T HA 0.228 4.578 4.350 -0.000 0.000 0.302 346 T C -1.573 172.946 174.700 -0.302 0.000 1.232 346 T CA -0.936 61.080 62.100 -0.139 0.000 1.009 346 T CB 1.229 69.955 68.868 -0.237 0.000 1.254 346 T HN -0.133 nan 8.240 nan 0.000 0.504 347 N N 1.696 120.175 118.700 -0.369 0.000 2.497 347 N HA 0.346 5.086 4.740 -0.000 0.000 0.268 347 N C -1.408 173.505 175.510 -0.996 0.000 1.171 347 N CA 0.397 53.108 53.050 -0.566 0.000 0.948 347 N CB 0.016 38.185 38.487 -0.529 0.000 1.069 347 N HN 0.458 nan 8.380 nan 0.000 0.460 348 Y N 1.610 121.492 120.300 -0.697 0.000 2.376 348 Y HA 0.386 4.936 4.550 -0.000 0.000 0.340 348 Y C -0.613 174.826 175.900 -0.768 0.000 0.965 348 Y CA -0.778 56.954 58.100 -0.613 0.000 1.078 348 Y CB 1.035 39.300 38.460 -0.324 0.000 1.193 348 Y HN 0.389 nan 8.280 nan 0.000 0.452 349 Y N 0.530 120.765 120.300 -0.108 0.000 2.446 349 Y HA 0.362 4.912 4.550 -0.000 0.000 0.338 349 Y C 0.893 176.642 175.900 -0.251 0.000 1.055 349 Y CA -1.222 56.727 58.100 -0.252 0.000 1.101 349 Y CB 1.107 39.449 38.460 -0.198 0.000 1.221 349 Y HN 0.403 nan 8.280 nan 0.000 0.460 350 V N 1.030 120.863 119.914 -0.135 0.000 2.270 350 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 350 V C 0.701 176.886 176.094 0.152 0.000 1.043 350 V CA 2.586 64.848 62.300 -0.063 0.000 1.014 350 V CB -0.307 31.523 31.823 0.011 0.000 0.645 350 V HN 0.978 nan 8.190 nan 0.000 0.447 351 D N -4.355 116.064 120.400 0.033 0.000 2.640 351 D HA 0.011 4.651 4.640 -0.000 0.000 0.282 351 D C 0.885 177.335 176.300 0.249 0.000 1.558 351 D CA -0.272 53.829 54.000 0.168 0.000 0.820 351 D CB -0.728 40.210 40.800 0.231 0.000 1.243 351 D HN 0.294 nan 8.370 nan 0.000 0.456 352 Y N 1.225 121.571 120.300 0.077 0.000 2.509 352 Y HA 0.188 4.738 4.550 -0.000 0.000 0.293 352 Y C 1.330 177.262 175.900 0.054 0.000 1.133 352 Y CA -0.122 57.959 58.100 -0.031 0.000 1.283 352 Y CB -0.088 38.086 38.460 -0.476 0.000 1.001 352 Y HN 0.121 nan 8.280 nan 0.000 0.555 353 V N -3.166 116.765 119.914 0.028 0.000 3.102 353 V HA 0.691 4.811 4.120 -0.000 0.000 0.312 353 V C -2.802 172.991 176.094 -0.502 0.000 1.135 353 V CA -2.752 59.246 62.300 -0.503 0.000 1.022 353 V CB 2.342 33.777 31.823 -0.646 0.000 1.056 353 V HN -0.310 nan 8.190 nan 0.000 0.436 354 P HA 0.387 nan 4.420 nan 0.000 0.279 354 P C 0.961 178.225 177.300 -0.061 0.000 1.276 354 P CA -0.454 62.439 63.100 -0.345 0.000 0.801 354 P CB 1.094 32.552 31.700 -0.402 0.000 1.127 355 I N -1.533 119.054 120.570 0.028 0.000 2.700 355 I HA -0.128 4.041 4.170 -0.000 0.000 0.261 355 I C 1.109 177.283 176.117 0.094 0.000 1.219 355 I CA 1.701 63.068 61.300 0.112 0.000 1.463 355 I CB -1.231 36.802 38.000 0.054 0.000 1.092 355 I HN 0.143 nan 8.210 nan 0.000 0.452 356 D N -0.833 119.597 120.400 0.050 0.000 2.349 356 D HA -0.076 4.563 4.640 -0.000 0.000 0.214 356 D C 0.754 177.085 176.300 0.052 0.000 1.063 356 D CA 0.005 54.030 54.000 0.041 0.000 0.847 356 D CB -0.744 40.064 40.800 0.013 0.000 0.933 356 D HN 0.507 nan 8.370 nan 0.000 0.513 357 H N 1.894 120.943 119.070 -0.034 0.000 2.582 357 H HA 0.112 4.667 4.556 -0.000 0.000 0.345 357 H C -1.519 173.821 175.328 0.020 0.000 1.104 357 H CA -1.249 54.779 56.048 -0.032 0.000 1.390 357 H CB 2.005 31.715 29.762 -0.087 0.000 1.461 357 H HN -0.169 nan 8.280 nan 0.000 0.551 358 P HA -0.098 nan 4.420 nan 0.000 0.222 358 P C 0.472 177.908 177.300 0.226 0.000 1.147 358 P CA 1.223 64.349 63.100 0.044 0.000 0.790 358 P CB 0.327 31.980 31.700 -0.078 0.000 0.780 359 K N -0.235 120.423 120.400 0.431 0.000 2.417 359 K HA 0.121 4.441 4.320 -0.000 0.000 0.196 359 K C 0.858 177.591 176.600 0.223 0.000 1.023 359 K CA -0.076 56.336 56.287 0.208 0.000 1.122 359 K CB 0.099 32.722 32.500 0.206 0.000 0.850 359 K HN -0.004 nan 8.250 nan 0.000 0.521 360 S N 1.233 117.099 115.700 0.277 0.000 2.499 360 S HA 0.139 4.609 4.470 -0.000 0.000 0.275 360 S C 1.187 175.863 174.600 0.127 0.000 1.257 360 S CA -0.484 57.826 58.200 0.184 0.000 1.050 360 S CB 0.527 63.843 63.200 0.193 0.000 0.937 360 S HN 0.283 nan 8.310 nan 0.000 0.490 361 I N 4.672 125.207 120.570 -0.059 0.000 2.423 361 I HA -0.142 4.028 4.170 -0.000 0.000 0.254 361 I C 0.801 176.723 176.117 -0.324 0.000 1.151 361 I CA 1.480 62.617 61.300 -0.273 0.000 1.421 361 I CB -0.072 37.671 38.000 -0.428 0.000 1.079 361 I HN 0.738 nan 8.210 nan 0.000 0.431 362 F N 0.237 120.189 119.950 0.002 0.000 2.293 362 F HA -0.133 4.394 4.527 -0.000 0.000 0.297 362 F C 2.328 178.114 175.800 -0.024 0.000 1.089 362 F CA 1.077 59.074 58.000 -0.005 0.000 1.377 362 F CB -1.093 37.916 39.000 0.016 0.000 1.051 362 F HN 0.175 nan 8.300 nan 0.000 0.511 363 N N 0.824 119.612 118.700 0.147 0.000 2.106 363 N HA -0.181 4.558 4.740 -0.000 0.000 0.188 363 N C 2.083 177.579 175.510 -0.023 0.000 1.029 363 N CA 0.993 54.086 53.050 0.071 0.000 0.848 363 N CB -0.217 38.327 38.487 0.095 0.000 1.007 363 N HN 0.232 nan 8.380 nan 0.000 0.423 364 L N 1.763 122.919 121.223 -0.112 0.000 2.043 364 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 364 L C 2.261 178.942 176.870 -0.315 0.000 1.075 364 L CA 1.324 55.972 54.840 -0.319 0.000 0.752 364 L CB -0.580 41.052 42.059 -0.712 0.000 0.891 364 L HN 0.212 nan 8.230 nan 0.000 0.432 365 L N -0.924 120.171 121.223 -0.214 0.000 2.017 365 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 365 L C 2.640 179.462 176.870 -0.079 0.000 1.073 365 L CA 1.313 56.073 54.840 -0.135 0.000 0.745 365 L CB -0.887 41.169 42.059 -0.004 0.000 0.894 365 L HN 0.368 nan 8.230 nan 0.000 0.432 366 A N -0.609 122.196 122.820 -0.025 0.000 1.968 366 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 366 A C 2.130 179.688 177.584 -0.044 0.000 1.169 366 A CA 1.413 53.440 52.037 -0.016 0.000 0.638 366 A CB -0.414 18.596 19.000 0.017 0.000 0.812 366 A HN 0.333 nan 8.150 nan 0.000 0.446 367 L N -1.947 119.240 121.223 -0.059 0.000 2.249 367 L HA 0.197 4.536 4.340 -0.000 0.000 0.207 367 L C 1.834 178.659 176.870 -0.074 0.000 1.090 367 L CA 1.876 56.684 54.840 -0.054 0.000 0.802 367 L CB -0.021 42.016 42.059 -0.036 0.000 0.947 367 L HN 0.264 nan 8.230 nan 0.000 0.453 368 K N -1.695 118.618 120.400 -0.144 0.000 2.485 368 K HA 0.293 4.613 4.320 -0.000 0.000 0.200 368 K C 1.839 178.313 176.600 -0.211 0.000 1.344 368 K CA 0.503 56.693 56.287 -0.160 0.000 0.948 368 K CB 0.434 32.805 32.500 -0.214 0.000 1.454 368 K HN 0.071 nan 8.250 nan 0.000 0.502 369 I N 1.551 121.913 120.570 -0.346 0.000 2.277 369 I HA -0.157 4.013 4.170 -0.000 0.000 0.243 369 I C 1.992 178.029 176.117 -0.133 0.000 1.094 369 I CA 1.028 62.149 61.300 -0.298 0.000 1.393 369 I CB -0.042 37.713 38.000 -0.409 0.000 1.078 369 I HN 0.049 nan 8.210 nan 0.000 0.417 370 L N 0.684 121.837 121.223 -0.116 0.000 2.191 370 L HA -0.178 4.161 4.340 -0.000 0.000 0.212 370 L C 2.340 179.127 176.870 -0.139 0.000 1.103 370 L CA 1.232 56.001 54.840 -0.119 0.000 0.769 370 L CB -0.521 41.479 42.059 -0.098 0.000 0.908 370 L HN 0.189 nan 8.230 nan 0.000 0.438 371 K N -0.339 120.001 120.400 -0.100 0.000 2.362 371 K HA -0.116 4.204 4.320 -0.000 0.000 0.200 371 K C 1.956 178.521 176.600 -0.059 0.000 1.046 371 K CA 1.636 57.878 56.287 -0.075 0.000 0.952 371 K CB -0.152 32.319 32.500 -0.049 0.000 0.753 371 K HN 0.472 nan 8.250 nan 0.000 0.466 372 T N -0.922 113.603 114.554 -0.050 0.000 3.088 372 T HA 0.024 4.374 4.350 -0.000 0.000 0.259 372 T C 0.709 175.379 174.700 -0.049 0.000 1.122 372 T CA -0.261 61.826 62.100 -0.022 0.000 1.095 372 T CB -0.091 68.795 68.868 0.030 0.000 0.930 372 T HN -0.065 nan 8.240 nan 0.000 0.508 373 L N 3.244 124.406 121.223 -0.102 0.000 2.499 373 L HA 0.310 4.650 4.340 -0.000 0.000 0.273 373 L C -2.327 174.494 176.870 -0.082 0.000 1.195 373 L CA -1.827 52.930 54.840 -0.138 0.000 0.882 373 L CB 0.053 41.930 42.059 -0.304 0.000 1.133 373 L HN -0.019 nan 8.230 nan 0.000 0.483 374 P HA 0.023 nan 4.420 nan 0.000 0.260 374 P C -1.349 175.913 177.300 -0.062 0.000 1.185 374 P CA 0.376 63.427 63.100 -0.081 0.000 0.763 374 P CB 0.224 31.853 31.700 -0.119 0.000 0.776 375 K N 2.538 122.913 120.400 -0.042 0.000 2.397 375 K HA 0.401 4.721 4.320 -0.000 0.000 0.253 375 K C -0.407 176.173 176.600 -0.034 0.000 0.932 375 K CA -0.536 55.743 56.287 -0.013 0.000 0.795 375 K CB 1.191 33.687 32.500 -0.007 0.000 1.159 375 K HN 0.307 nan 8.250 nan 0.000 0.424 376 S N 2.651 118.337 115.700 -0.023 0.000 2.580 376 S HA 0.025 4.495 4.470 -0.000 0.000 0.266 376 S C 1.086 175.654 174.600 -0.055 0.000 1.354 376 S CA -0.600 57.580 58.200 -0.033 0.000 1.008 376 S CB 0.987 64.182 63.200 -0.008 0.000 0.898 376 S HN 0.589 nan 8.310 nan 0.000 0.555 377 K N 0.774 121.113 120.400 -0.101 0.000 2.097 377 K HA -0.103 4.216 4.320 -0.000 0.000 0.206 377 K C 0.643 177.032 176.600 -0.352 0.000 1.049 377 K CA 1.702 57.847 56.287 -0.237 0.000 0.933 377 K CB -0.231 32.086 32.500 -0.305 0.000 0.717 377 K HN 0.683 nan 8.250 nan 0.000 0.442 378 H N -0.740 118.329 119.070 -0.002 0.000 2.567 378 H HA 0.183 4.738 4.556 -0.000 0.000 0.267 378 H C -0.476 174.853 175.328 0.002 0.000 1.148 378 H CA -0.384 55.663 56.048 -0.002 0.000 1.031 378 H CB 0.843 30.604 29.762 -0.002 0.000 1.691 378 H HN 0.124 nan 8.280 nan 0.000 0.588 379 E N 1.971 122.219 120.200 0.079 0.000 2.392 379 E HA 0.008 4.358 4.350 -0.000 0.000 0.264 379 E C -0.484 176.144 176.600 0.046 0.000 1.024 379 E CA 0.016 56.453 56.400 0.062 0.000 0.903 379 E CB 0.720 30.453 29.700 0.054 0.000 0.963 379 E HN 0.437 nan 8.360 nan 0.000 0.432 380 E N 3.934 124.156 120.200 0.036 0.000 2.145 380 E HA 0.328 4.678 4.350 -0.000 0.000 0.270 380 E C -0.728 175.869 176.600 -0.005 0.000 0.906 380 E CA -0.610 55.798 56.400 0.013 0.000 0.761 380 E CB 1.532 31.238 29.700 0.009 0.000 1.116 380 E HN 0.456 nan 8.360 nan 0.000 0.408 381 R N 2.051 122.536 120.500 -0.026 0.000 2.774 381 R HA 0.667 5.007 4.340 -0.000 0.000 0.272 381 R C -1.074 175.184 176.300 -0.070 0.000 1.000 381 R CA -0.835 55.228 56.100 -0.062 0.000 0.906 381 R CB 1.220 31.459 30.300 -0.102 0.000 1.227 381 R HN 0.327 nan 8.270 nan 0.000 0.468 382 I N 1.650 122.173 120.570 -0.078 0.000 2.439 382 I HA 0.266 4.436 4.170 -0.000 0.000 0.285 382 I C -0.696 175.378 176.117 -0.071 0.000 1.021 382 I CA -0.753 60.507 61.300 -0.066 0.000 1.091 382 I CB 2.535 40.506 38.000 -0.048 0.000 1.242 382 I HN 0.652 nan 8.210 nan 0.000 0.439 383 T N 7.105 121.606 114.554 -0.088 0.000 2.767 383 T HA 0.595 4.944 4.350 -0.000 0.000 0.288 383 T C -0.096 174.597 174.700 -0.012 0.000 0.963 383 T CA -0.201 61.850 62.100 -0.082 0.000 1.019 383 T CB 0.910 69.666 68.868 -0.187 0.000 0.923 383 T HN 0.270 nan 8.240 nan 0.000 0.468 384 I N 4.828 125.427 120.570 0.049 0.000 2.406 384 I HA 0.538 4.708 4.170 -0.000 0.000 0.290 384 I C -0.140 175.944 176.117 -0.054 0.000 0.999 384 I CA -1.063 60.242 61.300 0.008 0.000 1.124 384 I CB 1.419 39.413 38.000 -0.011 0.000 1.289 384 I HN 0.605 nan 8.210 nan 0.000 0.441 385 I N 3.770 124.283 120.570 -0.096 0.000 2.740 385 I HA 0.569 4.739 4.170 -0.000 0.000 0.303 385 I C -0.598 175.502 176.117 -0.027 0.000 1.044 385 I CA -0.847 60.311 61.300 -0.236 0.000 1.064 385 I CB 1.961 39.859 38.000 -0.171 0.000 1.249 385 I HN 0.491 nan 8.210 nan 0.000 0.433 386 N N 2.379 121.145 118.700 0.110 0.000 2.530 386 N HA 0.061 4.801 4.740 -0.000 0.000 0.277 386 N C 0.772 176.402 175.510 0.199 0.000 1.168 386 N CA 0.165 53.305 53.050 0.149 0.000 0.979 386 N CB 1.391 40.015 38.487 0.229 0.000 1.141 386 N HN 0.906 nan 8.380 nan 0.000 0.459 387 T N -2.052 112.520 114.554 0.030 0.000 2.915 387 T HA -0.021 4.329 4.350 -0.000 0.000 0.269 387 T C 1.822 176.688 174.700 0.276 0.000 1.071 387 T CA 0.993 63.064 62.100 -0.048 0.000 1.132 387 T CB -0.842 67.720 68.868 -0.510 0.000 0.878 387 T HN 0.646 nan 8.240 nan 0.000 0.479 388 G N 1.516 110.468 108.800 0.254 0.000 2.625 388 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.214 388 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.214 388 G C 1.708 176.873 174.900 0.442 0.000 1.132 388 G CA 0.812 46.099 45.100 0.312 0.000 0.782 388 G HN 0.710 nan 8.290 nan 0.000 0.538 389 S N -0.410 115.588 115.700 0.498 0.000 2.561 389 S HA 0.240 4.709 4.470 -0.000 0.000 0.225 389 S C 0.784 175.657 174.600 0.455 0.000 0.977 389 S CA -0.120 58.442 58.200 0.604 0.000 0.926 389 S CB 0.079 63.663 63.200 0.639 0.000 0.769 389 S HN 0.020 nan 8.310 nan 0.000 0.533 390 I N 2.438 123.259 120.570 0.419 0.000 2.359 390 I HA 0.473 4.643 4.170 -0.000 0.000 0.294 390 I C 0.711 176.982 176.117 0.258 0.000 0.987 390 I CA -0.390 61.066 61.300 0.260 0.000 1.225 390 I CB 1.667 39.765 38.000 0.164 0.000 1.366 390 I HN 0.188 nan 8.210 nan 0.000 0.466 391 R N 4.487 125.097 120.500 0.184 0.000 2.476 391 R HA 0.243 4.583 4.340 -0.000 0.000 0.276 391 R C -0.804 175.765 176.300 0.448 0.000 0.941 391 R CA -0.108 56.160 56.100 0.280 0.000 1.088 391 R CB 0.683 31.039 30.300 0.093 0.000 1.216 391 R HN 0.584 nan 8.270 nan 0.000 0.533 392 Y N -0.086 120.301 120.300 0.145 0.000 2.662 392 Y HA 0.180 4.729 4.550 -0.000 0.000 0.334 392 Y C -1.147 174.793 175.900 0.067 0.000 1.185 392 Y CA -1.615 56.590 58.100 0.175 0.000 1.074 392 Y CB 1.327 39.920 38.460 0.222 0.000 1.330 392 Y HN -0.091 nan 8.280 nan 0.000 0.458 393 D N 2.470 122.607 120.400 -0.438 0.000 2.368 393 D HA 0.173 4.813 4.640 -0.000 0.000 0.240 393 D C -0.866 175.306 176.300 -0.213 0.000 1.169 393 D CA 0.009 53.747 54.000 -0.436 0.000 0.906 393 D CB 1.451 41.803 40.800 -0.746 0.000 1.187 393 D HN 0.364 nan 8.370 nan 0.000 0.435 394 L N 2.369 123.457 121.223 -0.226 0.000 2.313 394 L HA 0.215 4.555 4.340 -0.000 0.000 0.273 394 L C -1.306 175.532 176.870 -0.054 0.000 1.028 394 L CA -0.512 54.334 54.840 0.010 0.000 0.871 394 L CB 0.041 42.133 42.059 0.054 0.000 1.242 394 L HN 0.192 nan 8.230 nan 0.000 0.434 395 Y N 3.323 123.695 120.300 0.120 0.000 2.304 395 Y HA 0.270 4.820 4.550 -0.000 0.000 0.327 395 Y C 0.681 176.655 175.900 0.122 0.000 1.209 395 Y CA -0.171 57.985 58.100 0.093 0.000 1.299 395 Y CB 0.839 39.386 38.460 0.145 0.000 1.249 395 Y HN 0.531 nan 8.280 nan 0.000 0.519 396 K N 1.930 122.475 120.400 0.242 0.000 2.355 396 K HA 0.557 4.877 4.320 -0.000 0.000 0.270 396 K C 0.410 177.153 176.600 0.237 0.000 1.003 396 K CA 0.357 56.765 56.287 0.201 0.000 0.957 396 K CB 0.514 33.089 32.500 0.125 0.000 0.939 396 K HN 0.872 nan 8.250 nan 0.000 0.482 397 G N 1.558 110.511 108.800 0.255 0.000 2.342 397 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.220 397 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.220 397 G C -2.915 172.106 174.900 0.202 0.000 1.243 397 G CA -0.787 44.486 45.100 0.289 0.000 1.083 397 G HN 0.570 nan 8.290 nan 0.000 0.500 398 P HA 0.377 nan 4.420 nan 0.000 0.267 398 P C -1.097 176.173 177.300 -0.050 0.000 1.205 398 P CA 0.378 63.302 63.100 -0.293 0.000 0.765 398 P CB 0.334 31.918 31.700 -0.193 0.000 0.828 399 Y N 3.403 123.580 120.300 -0.204 0.000 2.328 399 Y HA 0.499 5.048 4.550 -0.000 0.000 0.336 399 Y C 0.147 175.994 175.900 -0.089 0.000 0.960 399 Y CA -0.202 57.853 58.100 -0.075 0.000 1.134 399 Y CB 1.217 39.664 38.460 -0.022 0.000 1.166 399 Y HN 0.437 nan 8.280 nan 0.000 0.464 400 T N 2.005 116.343 114.554 -0.360 0.000 2.905 400 T HA 0.391 4.741 4.350 -0.000 0.000 0.283 400 T C 1.208 175.748 174.700 -0.267 0.000 1.031 400 T CA -0.747 61.224 62.100 -0.216 0.000 1.002 400 T CB 0.997 69.772 68.868 -0.155 0.000 1.200 400 T HN 0.685 nan 8.240 nan 0.000 0.560 401 I N 0.429 120.939 120.570 -0.100 0.000 2.194 401 I HA -0.175 3.995 4.170 -0.000 0.000 0.246 401 I C 2.393 178.527 176.117 0.027 0.000 1.093 401 I CA 1.970 63.263 61.300 -0.012 0.000 1.355 401 I CB -0.446 37.584 38.000 0.050 0.000 1.046 401 I HN 0.752 nan 8.210 nan 0.000 0.413 402 D N 0.643 121.007 120.400 -0.061 0.000 2.144 402 D HA -0.138 4.501 4.640 -0.000 0.000 0.199 402 D C 2.236 178.447 176.300 -0.148 0.000 0.984 402 D CA 1.231 55.186 54.000 -0.074 0.000 0.834 402 D CB 0.107 40.788 40.800 -0.199 0.000 0.955 402 D HN 0.119 nan 8.370 nan 0.000 0.465 403 S N -0.098 115.395 115.700 -0.346 0.000 2.383 403 S HA -0.212 4.258 4.470 -0.000 0.000 0.229 403 S C 1.771 176.160 174.600 -0.352 0.000 1.030 403 S CA 1.223 59.144 58.200 -0.465 0.000 1.002 403 S CB -0.279 62.326 63.200 -0.992 0.000 0.829 403 S HN 0.372 nan 8.310 nan 0.000 0.467 404 K N 0.367 120.545 120.400 -0.369 0.000 2.074 404 K HA -0.146 4.174 4.320 -0.000 0.000 0.209 404 K C 1.544 177.932 176.600 -0.352 0.000 1.048 404 K CA 1.621 57.745 56.287 -0.271 0.000 0.926 404 K CB -0.273 31.980 32.500 -0.410 0.000 0.713 404 K HN 0.347 nan 8.250 nan 0.000 0.444 405 F N 0.700 120.515 119.950 -0.225 0.000 2.367 405 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 405 F C 2.021 177.604 175.800 -0.360 0.000 1.094 405 F CA 0.551 58.379 58.000 -0.287 0.000 1.409 405 F CB -0.108 38.705 39.000 -0.311 0.000 1.064 405 F HN -0.029 nan 8.300 nan 0.000 0.528 406 I N -0.726 119.727 120.570 -0.195 0.000 2.202 406 I HA -0.238 3.931 4.170 -0.000 0.000 0.242 406 I C 2.148 178.220 176.117 -0.075 0.000 1.091 406 I CA 1.038 62.175 61.300 -0.272 0.000 1.368 406 I CB -0.391 37.421 38.000 -0.313 0.000 1.058 406 I HN -0.076 nan 8.210 nan 0.000 0.410 407 V N -1.323 118.582 119.914 -0.014 0.000 2.379 407 V HA -0.061 4.059 4.120 -0.000 0.000 0.243 407 V C 1.152 177.221 176.094 -0.042 0.000 1.035 407 V CA 1.158 63.488 62.300 0.049 0.000 1.035 407 V CB 0.087 31.965 31.823 0.091 0.000 0.673 407 V HN 0.342 nan 8.190 nan 0.000 0.457 408 S N 0.632 116.260 115.700 -0.120 0.000 2.216 408 S HA 0.343 4.813 4.470 -0.000 0.000 0.156 408 S C -1.761 172.649 174.600 -0.317 0.000 1.665 408 S CA -0.955 57.146 58.200 -0.165 0.000 1.262 408 S CB 1.176 64.352 63.200 -0.040 0.000 1.207 408 S HN 0.296 nan 8.310 nan 0.000 0.427 409 P HA 0.137 nan 4.420 nan 0.000 0.236 409 P C -0.121 176.917 177.300 -0.437 0.000 1.177 409 P CA 0.110 62.921 63.100 -0.483 0.000 0.773 409 P CB -0.092 31.253 31.700 -0.590 0.000 0.878 410 F N 1.228 121.070 119.950 -0.180 0.000 2.410 410 F HA 0.245 4.771 4.527 -0.000 0.000 0.348 410 F C 1.232 176.774 175.800 -0.431 0.000 1.106 410 F CA -1.140 56.686 58.000 -0.290 0.000 1.163 410 F CB 0.224 39.026 39.000 -0.330 0.000 1.129 410 F HN -0.231 nan 8.300 nan 0.000 0.516 411 E N 2.552 122.543 120.200 -0.349 0.000 2.122 411 E HA 0.113 4.463 4.350 -0.000 0.000 0.288 411 E C -0.813 175.514 176.600 -0.455 0.000 1.260 411 E CA -0.250 55.621 56.400 -0.882 0.000 1.344 411 E CB -0.337 28.816 29.700 -0.912 0.000 1.337 411 E HN 0.622 nan 8.360 nan 0.000 0.484 412 N N 1.991 120.491 118.700 -0.334 0.000 2.434 412 N HA 0.255 4.995 4.740 -0.000 0.000 0.272 412 N C -0.160 175.266 175.510 -0.140 0.000 1.040 412 N CA -0.481 52.385 53.050 -0.306 0.000 0.956 412 N CB 1.021 39.015 38.487 -0.822 0.000 1.108 412 N HN 0.297 nan 8.380 nan 0.000 0.481 413 I N -1.886 118.677 120.570 -0.013 0.000 2.677 413 I HA 0.582 4.752 4.170 -0.000 0.000 0.305 413 I C -0.800 175.271 176.117 -0.077 0.000 0.988 413 I CA -0.833 60.477 61.300 0.018 0.000 1.260 413 I CB 0.742 38.835 38.000 0.155 0.000 1.410 413 I HN 0.392 nan 8.210 nan 0.000 0.523 414 W N 4.298 125.724 121.300 0.211 0.000 2.361 414 W HA 0.620 5.280 4.660 -0.000 0.000 0.309 414 W C -0.200 176.342 176.519 0.038 0.000 1.122 414 W CA -0.690 56.740 57.345 0.141 0.000 1.208 414 W CB 1.293 30.864 29.460 0.185 0.000 1.246 414 W HN 0.488 nan 8.180 nan 0.000 0.490 415 V N 1.076 121.004 119.914 0.023 0.000 3.177 415 V HA 0.733 4.853 4.120 -0.000 0.000 0.319 415 V C -0.491 175.302 176.094 -0.501 0.000 1.125 415 V CA -1.196 61.006 62.300 -0.164 0.000 1.029 415 V CB 1.746 33.451 31.823 -0.196 0.000 1.119 415 V HN 0.733 nan 8.190 nan 0.000 0.452 416 N N 0.047 118.548 118.700 -0.332 0.000 2.396 416 N HA 0.699 5.439 4.740 -0.000 0.000 0.275 416 N C -1.598 173.883 175.510 -0.047 0.000 1.218 416 N CA -0.933 51.938 53.050 -0.298 0.000 0.812 416 N CB 2.568 40.953 38.487 -0.169 0.000 1.592 416 N HN 0.994 nan 8.380 nan 0.000 0.480 417 I N 0.769 121.392 120.570 0.088 0.000 2.647 417 I HA 0.439 4.608 4.170 -0.000 0.000 0.295 417 I C -1.017 175.167 176.117 0.113 0.000 1.078 417 I CA -0.497 60.897 61.300 0.156 0.000 1.048 417 I CB 2.345 40.501 38.000 0.260 0.000 1.239 417 I HN 0.664 nan 8.210 nan 0.000 0.421 418 T N 6.755 121.369 114.554 0.101 0.000 2.733 418 T HA 0.524 4.874 4.350 -0.000 0.000 0.294 418 T C -0.449 174.294 174.700 0.072 0.000 0.956 418 T CA -0.397 61.746 62.100 0.072 0.000 0.987 418 T CB 0.850 69.760 68.868 0.070 0.000 0.920 418 T HN 0.441 nan 8.240 nan 0.000 0.470 419 V N 2.050 121.963 119.914 -0.001 0.000 3.102 419 V HA 0.815 4.935 4.120 -0.000 0.000 0.312 419 V C -3.075 172.940 176.094 -0.133 0.000 1.135 419 V CA -3.407 58.828 62.300 -0.108 0.000 1.022 419 V CB 1.826 33.441 31.823 -0.348 0.000 1.056 419 V HN 0.415 nan 8.190 nan 0.000 0.436 420 P HA 0.212 nan 4.420 nan 0.000 0.268 420 P C 0.513 177.727 177.300 -0.143 0.000 1.205 420 P CA -0.085 62.946 63.100 -0.114 0.000 0.771 420 P CB 0.642 32.292 31.700 -0.083 0.000 0.858 421 K N 2.327 122.676 120.400 -0.085 0.000 2.127 421 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 421 K C 1.688 178.235 176.600 -0.089 0.000 1.047 421 K CA 2.354 58.596 56.287 -0.076 0.000 0.927 421 K CB -0.416 32.056 32.500 -0.047 0.000 0.716 421 K HN 0.531 nan 8.250 nan 0.000 0.450 422 S N -0.583 115.066 115.700 -0.086 0.000 2.442 422 S HA -0.087 4.383 4.470 -0.000 0.000 0.236 422 S C 1.827 176.360 174.600 -0.112 0.000 1.007 422 S CA 1.246 59.399 58.200 -0.078 0.000 0.965 422 S CB -0.032 63.138 63.200 -0.051 0.000 0.773 422 S HN 0.148 nan 8.310 nan 0.000 0.504 423 V N 1.470 121.271 119.914 -0.188 0.000 2.672 423 V HA 0.244 4.364 4.120 -0.000 0.000 0.242 423 V C 2.934 178.894 176.094 -0.222 0.000 1.059 423 V CA 0.898 63.041 62.300 -0.262 0.000 1.081 423 V CB -1.127 30.355 31.823 -0.568 0.000 0.752 423 V HN 0.555 nan 8.190 nan 0.000 0.472 424 A N 1.269 123.965 122.820 -0.207 0.000 1.978 424 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 424 A C 2.333 179.856 177.584 -0.101 0.000 1.170 424 A CA 2.406 54.357 52.037 -0.144 0.000 0.636 424 A CB -0.933 17.998 19.000 -0.114 0.000 0.810 424 A HN 0.635 nan 8.150 nan 0.000 0.448 425 T N -3.151 111.349 114.554 -0.090 0.000 3.113 425 T HA 0.048 4.398 4.350 -0.000 0.000 0.263 425 T C 1.274 175.937 174.700 -0.062 0.000 1.143 425 T CA 1.087 63.148 62.100 -0.066 0.000 1.090 425 T CB -0.015 68.820 68.868 -0.055 0.000 0.922 425 T HN 0.363 nan 8.240 nan 0.000 0.521 426 K N 0.565 120.920 120.400 -0.075 0.000 2.355 426 K HA 0.344 4.664 4.320 -0.000 0.000 0.198 426 K C 1.929 178.491 176.600 -0.063 0.000 1.039 426 K CA 0.108 56.356 56.287 -0.065 0.000 1.075 426 K CB 0.125 32.581 32.500 -0.072 0.000 0.870 426 K HN 0.298 nan 8.250 nan 0.000 0.540 427 V N 1.772 121.642 119.914 -0.074 0.000 2.307 427 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 427 V C 2.457 178.526 176.094 -0.042 0.000 1.045 427 V CA 2.146 64.404 62.300 -0.070 0.000 1.024 427 V CB -0.694 31.070 31.823 -0.099 0.000 0.651 427 V HN 0.252 nan 8.190 nan 0.000 0.449 428 A N 0.131 122.924 122.820 -0.044 0.000 1.908 428 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 428 A C 2.397 179.972 177.584 -0.015 0.000 1.181 428 A CA 2.211 54.227 52.037 -0.034 0.000 0.627 428 A CB -0.818 18.159 19.000 -0.039 0.000 0.818 428 A HN 0.581 nan 8.150 nan 0.000 0.445 429 A N -0.579 122.232 122.820 -0.015 0.000 1.969 429 A HA -0.107 4.212 4.320 -0.000 0.000 0.218 429 A C 2.050 179.647 177.584 0.022 0.000 1.169 429 A CA 2.235 54.271 52.037 -0.003 0.000 0.635 429 A CB -0.347 18.647 19.000 -0.010 0.000 0.810 429 A HN 0.444 nan 8.150 nan 0.000 0.445 430 K N 0.179 120.595 120.400 0.027 0.000 2.057 430 K HA 0.031 4.350 4.320 -0.000 0.000 0.206 430 K C 1.681 178.401 176.600 0.200 0.000 1.050 430 K CA 1.336 57.673 56.287 0.083 0.000 0.935 430 K CB -0.547 31.962 32.500 0.016 0.000 0.715 430 K HN 0.459 nan 8.250 nan 0.000 0.439 431 L N 0.711 122.019 121.223 0.141 0.000 2.131 431 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 431 L C 1.528 178.427 176.870 0.048 0.000 1.092 431 L CA 0.925 55.833 54.840 0.113 0.000 0.759 431 L CB -0.429 41.648 42.059 0.030 0.000 0.903 431 L HN 0.214 nan 8.230 nan 0.000 0.435 432 N N -0.785 117.934 118.700 0.032 0.000 2.463 432 N HA -0.028 4.712 4.740 -0.000 0.000 0.181 432 N C 0.454 175.978 175.510 0.023 0.000 1.078 432 N CA 0.324 53.379 53.050 0.007 0.000 0.902 432 N CB -0.174 38.305 38.487 -0.013 0.000 0.970 432 N HN 0.245 nan 8.380 nan 0.000 0.451 438 S N 5.513 121.108 115.700 -0.176 0.000 2.580 438 S HA 0.714 5.184 4.470 -0.000 0.000 0.274 438 S C 1.355 175.877 174.600 -0.130 0.000 1.329 438 S CA -0.179 57.905 58.200 -0.194 0.000 1.036 438 S CB 1.699 64.839 63.200 -0.100 0.000 0.919 438 S HN 1.156 nan 8.310 nan 0.000 0.515 439 A N 2.493 125.235 122.820 -0.130 0.000 1.972 439 A HA 0.178 4.498 4.320 -0.000 0.000 0.219 439 A C 0.937 178.532 177.584 0.020 0.000 1.169 439 A CA 0.713 52.709 52.037 -0.068 0.000 0.635 439 A CB -0.458 18.498 19.000 -0.073 0.000 0.810 439 A HN 0.759 nan 8.150 nan 0.000 0.446 440 S N -0.899 114.841 115.700 0.066 0.000 2.547 440 S HA 0.484 4.954 4.470 -0.000 0.000 0.281 440 S C -0.557 174.145 174.600 0.170 0.000 1.118 440 S CA -0.799 57.508 58.200 0.178 0.000 0.947 440 S CB 1.601 64.951 63.200 0.251 0.000 1.053 440 S HN 0.445 nan 8.310 nan 0.000 0.482 441 R N 1.715 122.322 120.500 0.177 0.000 2.484 441 R HA 0.138 4.478 4.340 -0.000 0.000 0.293 441 R C 0.491 176.943 176.300 0.253 0.000 1.023 441 R CA 0.088 56.278 56.100 0.149 0.000 1.037 441 R CB 0.047 30.323 30.300 -0.039 0.000 0.951 441 R HN 0.610 nan 8.270 nan 0.000 0.418 442 L N 2.517 123.897 121.223 0.263 0.000 2.477 442 L HA 0.077 4.417 4.340 -0.000 0.000 0.220 442 L C 0.620 177.613 176.870 0.206 0.000 1.106 442 L CA 0.682 55.660 54.840 0.229 0.000 0.851 442 L CB -0.007 42.133 42.059 0.136 0.000 0.994 442 L HN 0.450 nan 8.230 nan 0.000 0.462 443 K N 0.331 120.860 120.400 0.216 0.000 2.098 443 K HA 0.301 4.620 4.320 -0.000 0.000 0.244 443 K C -2.276 174.378 176.600 0.090 0.000 1.014 443 K CA -1.951 54.368 56.287 0.052 0.000 0.917 443 K CB 0.215 32.579 32.500 -0.226 0.000 1.072 443 K HN -0.270 nan 8.250 nan 0.000 0.477 444 P HA -0.046 nan 4.420 nan 0.000 0.265 444 P C -2.175 175.061 177.300 -0.107 0.000 1.187 444 P CA -0.786 62.316 63.100 0.004 0.000 0.766 444 P CB 0.062 31.747 31.700 -0.024 0.000 0.820 445 P HA -0.205 nan 4.420 nan 0.000 0.217 445 P C 1.165 178.430 177.300 -0.057 0.000 1.148 445 P CA 1.578 64.552 63.100 -0.209 0.000 0.828 445 P CB -0.509 30.752 31.700 -0.731 0.000 0.783 446 H N -1.840 117.211 119.070 -0.032 0.000 2.547 446 H HA 0.135 4.691 4.556 -0.000 0.000 0.266 446 H C 0.912 176.243 175.328 0.006 0.000 0.988 446 H CA 0.446 56.498 56.048 0.006 0.000 1.147 446 H CB -0.539 29.231 29.762 0.014 0.000 1.365 446 H HN 0.172 nan 8.280 nan 0.000 0.589 447 Q N 0.551 120.066 119.800 -0.475 0.000 2.291 447 Q HA 0.020 4.360 4.340 -0.000 0.000 0.211 447 Q C -0.236 175.383 176.000 -0.635 0.000 0.925 447 Q CA 0.054 55.541 55.803 -0.526 0.000 0.949 447 Q CB -0.045 28.328 28.738 -0.607 0.000 1.015 447 Q HN 0.687 nan 8.270 nan 0.000 0.477 448 Y N -1.659 118.602 120.300 -0.065 0.000 2.588 448 Y HA 0.209 4.759 4.550 -0.000 0.000 0.247 448 Y C 0.445 176.348 175.900 0.005 0.000 1.157 448 Y CA -0.366 57.725 58.100 -0.015 0.000 1.215 448 Y CB 1.120 39.589 38.460 0.014 0.000 1.245 448 Y HN -0.017 nan 8.280 nan 0.000 0.534 449 D N 0.519 120.979 120.400 0.099 0.000 2.891 449 D HA 0.265 4.904 4.640 -0.000 0.000 0.332 449 D C 0.646 176.978 176.300 0.052 0.000 1.369 449 D CA 0.218 54.265 54.000 0.078 0.000 0.827 449 D CB 0.533 41.377 40.800 0.074 0.000 1.141 449 D HN 0.320 nan 8.370 nan 0.000 0.464 450 L N 0.589 121.828 121.223 0.028 0.000 2.645 450 L HA 0.112 4.452 4.340 -0.000 0.000 0.234 450 L C 0.573 177.448 176.870 0.009 0.000 1.165 450 L CA 0.229 55.080 54.840 0.018 0.000 0.944 450 L CB -0.100 41.955 42.059 -0.008 0.000 1.149 450 L HN -0.168 nan 8.230 nan 0.000 0.446 451 Q N 1.112 120.922 119.800 0.016 0.000 2.361 451 Q HA 0.142 4.482 4.340 -0.000 0.000 0.276 451 Q C -0.301 175.692 176.000 -0.011 0.000 1.022 451 Q CA 0.376 56.181 55.803 0.004 0.000 0.898 451 Q CB 1.261 30.007 28.738 0.013 0.000 1.246 451 Q HN 0.178 nan 8.270 nan 0.000 0.410 452 V N 0.317 120.209 119.914 -0.037 0.000 2.628 452 V HA 0.869 4.989 4.120 -0.000 0.000 0.306 452 V C -0.616 175.398 176.094 -0.133 0.000 1.045 452 V CA -0.809 61.447 62.300 -0.074 0.000 0.905 452 V CB 1.794 33.585 31.823 -0.055 0.000 0.997 452 V HN 0.752 nan 8.190 nan 0.000 0.436 456 S N -1.207 114.493 115.700 -0.001 0.000 2.601 456 S HA 0.172 4.642 4.470 -0.000 0.000 0.244 456 S C 0.818 175.425 174.600 0.013 0.000 1.001 456 S CA 0.560 58.766 58.200 0.008 0.000 0.984 456 S CB -0.517 62.690 63.200 0.012 0.000 0.842 456 S HN 0.731 nan 8.310 nan 0.000 0.474 457 T N -1.693 112.867 114.554 0.010 0.000 3.107 457 T HA 0.263 4.612 4.350 -0.000 0.000 0.249 457 T C 0.665 175.372 174.700 0.011 0.000 1.096 457 T CA -0.215 61.895 62.100 0.016 0.000 1.012 457 T CB 0.090 68.972 68.868 0.024 0.000 0.977 457 T HN 0.154 nan 8.240 nan 0.000 0.527 458 S N 3.184 118.884 115.700 -0.001 0.000 2.584 458 S HA 0.499 4.969 4.470 -0.000 0.000 0.273 458 S C -2.154 172.442 174.600 -0.006 0.000 1.311 458 S CA -0.980 57.208 58.200 -0.019 0.000 1.034 458 S CB 0.625 63.795 63.200 -0.049 0.000 0.939 458 S HN 0.292 nan 8.310 nan 0.000 0.513 459 P HA 0.051 nan 4.420 nan 0.000 0.269 459 P C 1.025 178.305 177.300 -0.033 0.000 1.217 459 P CA -0.197 62.886 63.100 -0.028 0.000 0.783 459 P CB 0.244 31.886 31.700 -0.096 0.000 0.898 460 H N 1.192 120.265 119.070 0.005 0.000 2.491 460 H HA -0.103 4.453 4.556 -0.000 0.000 0.290 460 H C 0.642 175.984 175.328 0.023 0.000 1.050 460 H CA 1.177 57.232 56.048 0.011 0.000 1.309 460 H CB -0.232 29.536 29.762 0.010 0.000 1.392 460 H HN 0.546 nan 8.280 nan 0.000 0.554 461 Q N 0.983 120.547 119.800 -0.393 0.000 2.320 461 Q HA 0.449 4.788 4.340 -0.000 0.000 0.201 461 Q C 0.488 176.502 176.000 0.024 0.000 0.910 461 Q CA 0.095 55.801 55.803 -0.162 0.000 0.946 461 Q CB 0.466 29.070 28.738 -0.225 0.000 1.062 461 Q HN 0.358 nan 8.270 nan 0.000 0.503 462 A N 3.101 125.892 122.820 -0.048 0.000 2.492 462 A HA 0.211 4.531 4.320 -0.000 0.000 0.254 462 A C -0.275 177.277 177.584 -0.053 0.000 1.091 462 A CA -0.139 51.837 52.037 -0.102 0.000 0.768 462 A CB -0.172 18.741 19.000 -0.145 0.000 1.028 462 A HN 0.500 nan 8.150 nan 0.000 0.498 463 H N 0.442 119.420 119.070 -0.153 0.000 2.980 463 H HA 0.582 5.138 4.556 -0.000 0.000 0.367 463 H C -1.565 173.659 175.328 -0.173 0.000 1.206 463 H CA -1.209 54.764 56.048 -0.123 0.000 1.126 463 H CB 0.536 30.282 29.762 -0.027 0.000 1.838 463 H HN 0.348 nan 8.280 nan 0.000 0.552 464 F N 1.085 121.076 119.950 0.068 0.000 2.429 464 F HA 0.208 4.735 4.527 -0.000 0.000 0.348 464 F C 1.038 176.886 175.800 0.081 0.000 1.109 464 F CA 0.281 58.294 58.000 0.022 0.000 1.232 464 F CB 0.768 39.782 39.000 0.022 0.000 1.157 464 F HN 0.369 nan 8.300 nan 0.000 0.564 465 E N 2.692 123.036 120.200 0.240 0.000 2.195 465 E HA 0.267 4.617 4.350 -0.000 0.000 0.271 465 E C -0.733 175.941 176.600 0.123 0.000 0.923 465 E CA -0.947 55.555 56.400 0.170 0.000 0.790 465 E CB 1.955 31.716 29.700 0.101 0.000 1.155 465 E HN 0.514 nan 8.360 nan 0.000 0.402 466 M N 2.868 122.517 119.600 0.081 0.000 3.102 466 M HA -0.059 4.421 4.480 -0.000 0.000 0.269 466 M C 0.905 177.221 176.300 0.027 0.000 1.551 466 M CA 0.516 55.839 55.300 0.038 0.000 1.629 466 M CB -0.385 32.226 32.600 0.019 0.000 1.324 466 M HN 0.165 nan 8.290 nan 0.000 0.509 467 Q N 1.188 121.003 119.800 0.025 0.000 2.579 467 Q HA 0.096 4.436 4.340 -0.000 0.000 0.344 467 Q C -0.160 175.840 176.000 -0.000 0.000 0.997 467 Q CA -0.061 55.752 55.803 0.016 0.000 0.991 467 Q CB -0.090 28.660 28.738 0.022 0.000 1.279 467 Q HN 0.608 nan 8.270 nan 0.000 0.420 468 E N 1.455 121.653 120.200 -0.003 0.000 2.533 468 E HA -0.111 4.239 4.350 -0.000 0.000 0.203 468 E C 0.897 177.494 176.600 -0.005 0.000 1.101 468 E CA 0.374 56.767 56.400 -0.012 0.000 0.894 468 E CB 0.302 29.995 29.700 -0.012 0.000 0.843 468 E HN 0.516 nan 8.360 nan 0.000 0.552 469 K N 0.245 120.646 120.400 0.001 0.000 2.243 469 K HA 0.033 4.353 4.320 -0.000 0.000 0.201 469 K C 1.102 177.714 176.600 0.021 0.000 1.051 469 K CA 0.326 56.622 56.287 0.015 0.000 0.970 469 K CB 0.088 32.594 32.500 0.011 0.000 0.755 469 K HN 0.108 nan 8.250 nan 0.000 0.465 470 L N 4.082 125.296 121.223 -0.015 0.000 2.397 470 L HA 0.198 4.538 4.340 -0.000 0.000 0.271 470 L C -2.087 174.720 176.870 -0.105 0.000 1.148 470 L CA -2.198 52.608 54.840 -0.057 0.000 0.825 470 L CB 0.498 42.520 42.059 -0.063 0.000 1.117 470 L HN -0.038 nan 8.230 nan 0.000 0.456 471 P HA 0.120 nan 4.420 nan 0.000 0.274 471 P C -1.186 175.981 177.300 -0.221 0.000 1.231 471 P CA -0.519 62.389 63.100 -0.320 0.000 0.790 471 P CB 0.638 31.879 31.700 -0.765 0.000 0.951 472 K N 1.033 121.285 120.400 -0.246 0.000 2.350 472 K HA 0.543 4.862 4.320 -0.000 0.000 0.279 472 K C 0.789 177.133 176.600 -0.427 0.000 1.027 472 K CA 0.161 56.291 56.287 -0.262 0.000 0.969 472 K CB 0.324 32.676 32.500 -0.245 0.000 0.954 472 K HN 0.785 nan 8.250 nan 0.000 0.474 473 G N 1.435 109.950 108.800 -0.474 0.000 2.364 473 G HA2 0.123 4.083 3.960 -0.000 0.000 0.286 473 G HA3 0.123 4.083 3.960 -0.000 0.000 0.286 473 G C -1.927 172.637 174.900 -0.560 0.000 1.241 473 G CA -0.818 43.782 45.100 -0.834 0.000 0.887 473 G HN 0.351 nan 8.290 nan 0.000 0.484 474 Y N -0.240 119.877 120.300 -0.305 0.000 2.304 474 Y HA 0.533 5.082 4.550 -0.000 0.000 0.328 474 Y C 0.526 176.521 175.900 0.159 0.000 1.123 474 Y CA -0.538 57.551 58.100 -0.019 0.000 1.218 474 Y CB 1.826 40.270 38.460 -0.027 0.000 1.207 474 Y HN 0.208 nan 8.280 nan 0.000 0.495 475 V N 3.986 124.061 119.914 0.267 0.000 2.326 475 V HA 0.275 4.394 4.120 -0.000 0.000 0.281 475 V C -0.205 175.953 176.094 0.106 0.000 1.015 475 V CA -0.756 61.644 62.300 0.167 0.000 0.823 475 V CB 1.134 33.035 31.823 0.130 0.000 1.009 475 V HN 0.816 nan 8.190 nan 0.000 0.436 476 T N 4.739 119.317 114.554 0.040 0.000 2.799 476 T HA 0.436 4.786 4.350 -0.000 0.000 0.286 476 T C -0.328 174.323 174.700 -0.082 0.000 0.973 476 T CA -0.255 61.853 62.100 0.013 0.000 1.035 476 T CB 0.285 69.125 68.868 -0.047 0.000 0.932 476 T HN 0.571 nan 8.240 nan 0.000 0.469 477 H N 3.576 122.709 119.070 0.105 0.000 2.595 477 H HA 0.389 4.945 4.556 -0.000 0.000 0.313 477 H C -0.497 174.909 175.328 0.130 0.000 1.023 477 H CA -0.741 55.378 56.048 0.118 0.000 1.218 477 H CB 1.384 31.198 29.762 0.087 0.000 1.403 477 H HN 0.772 nan 8.280 nan 0.000 0.477 478 D N 0.802 121.354 120.400 0.253 0.000 2.801 478 D HA 0.071 4.711 4.640 -0.000 0.000 0.277 478 D C 0.358 176.817 176.300 0.264 0.000 1.125 478 D CA -0.613 53.536 54.000 0.248 0.000 1.102 478 D CB 0.382 41.378 40.800 0.325 0.000 1.400 478 D HN 0.049 nan 8.370 nan 0.000 0.601 479 D N -1.344 119.216 120.400 0.267 0.000 2.310 479 D HA -0.027 4.613 4.640 -0.000 0.000 0.212 479 D C 0.535 177.157 176.300 0.536 0.000 0.965 479 D CA 0.813 54.994 54.000 0.301 0.000 0.879 479 D CB -0.111 40.797 40.800 0.181 0.000 0.921 479 D HN 0.209 nan 8.370 nan 0.000 0.510 480 F N -0.187 119.915 119.950 0.254 0.000 2.693 480 F HA 0.387 4.914 4.527 -0.000 0.000 0.303 480 F C 1.670 177.527 175.800 0.096 0.000 1.097 480 F CA -0.020 58.074 58.000 0.156 0.000 1.330 480 F CB 0.139 39.175 39.000 0.059 0.000 1.067 480 F HN -0.053 nan 8.300 nan 0.000 0.565 481 G N 0.587 109.553 108.800 0.278 0.000 2.418 481 G HA2 0.114 4.074 3.960 -0.000 0.000 0.206 481 G HA3 0.114 4.074 3.960 -0.000 0.000 0.206 481 G C 0.115 175.087 174.900 0.120 0.000 1.202 481 G CA -0.213 44.992 45.100 0.174 0.000 1.061 481 G HN 0.475 nan 8.290 nan 0.000 0.563 482 A N -0.019 122.817 122.820 0.027 0.000 2.594 482 A HA 0.546 4.866 4.320 -0.000 0.000 0.287 482 A C 1.000 178.554 177.584 -0.050 0.000 1.227 482 A CA 1.314 53.267 52.037 -0.139 0.000 0.952 482 A CB 0.020 18.814 19.000 -0.344 0.000 1.161 482 A HN 1.158 nan 8.150 nan 0.000 0.524 483 D N -1.301 119.113 120.400 0.024 0.000 2.424 483 D HA 0.135 4.775 4.640 -0.000 0.000 0.220 483 D C 1.150 177.481 176.300 0.052 0.000 1.150 483 D CA 0.599 54.617 54.000 0.030 0.000 0.831 483 D CB -0.337 40.477 40.800 0.024 0.000 0.981 483 D HN 0.144 nan 8.370 nan 0.000 0.500 484 G N 0.241 109.100 108.800 0.098 0.000 2.408 484 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.215 484 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.215 484 G C 0.530 175.512 174.900 0.137 0.000 1.156 484 G CA -0.029 45.094 45.100 0.038 0.000 0.793 484 G HN 0.226 nan 8.290 nan 0.000 0.535 485 D N 1.653 122.234 120.400 0.302 0.000 2.458 485 D HA 0.007 4.647 4.640 -0.000 0.000 0.243 485 D C 0.689 177.086 176.300 0.161 0.000 1.146 485 D CA 0.185 54.376 54.000 0.317 0.000 0.877 485 D CB 1.324 42.308 40.800 0.306 0.000 1.176 485 D HN 0.357 nan 8.370 nan 0.000 0.461 486 D N 0.807 121.325 120.400 0.198 0.000 2.371 486 D HA -0.100 4.539 4.640 -0.000 0.000 0.221 486 D C -0.089 176.311 176.300 0.168 0.000 0.986 486 D CA 0.414 54.530 54.000 0.194 0.000 0.899 486 D CB 0.273 41.254 40.800 0.303 0.000 0.902 486 D HN 0.116 nan 8.370 nan 0.000 0.530 487 T N 0.754 115.308 114.554 -0.000 0.000 2.886 487 T HA 0.430 4.779 4.350 -0.000 0.000 0.292 487 T C -0.082 174.245 174.700 -0.622 0.000 1.012 487 T CA -0.774 61.172 62.100 -0.256 0.000 0.982 487 T CB 2.146 70.906 68.868 -0.180 0.000 1.018 487 T HN -0.010 nan 8.240 nan 0.000 0.451 488 L N 3.818 124.754 121.223 -0.479 0.000 2.360 488 L HA 0.444 4.784 4.340 -0.000 0.000 0.276 488 L C 0.086 176.690 176.870 -0.443 0.000 1.121 488 L CA -0.294 54.318 54.840 -0.380 0.000 0.845 488 L CB -0.065 41.868 42.059 -0.210 0.000 1.143 488 L HN 0.692 nan 8.230 nan 0.000 0.452 489 H N 1.695 120.707 119.070 -0.097 0.000 2.731 489 H HA 0.449 5.005 4.556 -0.000 0.000 0.368 489 H C -0.588 174.685 175.328 -0.091 0.000 1.168 489 H CA -1.050 54.917 56.048 -0.135 0.000 1.181 489 H CB 1.619 31.306 29.762 -0.125 0.000 1.743 489 H HN 0.423 nan 8.280 nan 0.000 0.547 490 R N 1.263 121.783 120.500 0.033 0.000 2.288 490 R HA 0.322 4.661 4.340 -0.000 0.000 0.330 490 R C -0.412 175.881 176.300 -0.012 0.000 1.069 490 R CA -0.476 55.624 56.100 0.001 0.000 0.941 490 R CB 0.532 30.800 30.300 -0.052 0.000 0.998 490 R HN 0.616 nan 8.270 nan 0.000 0.452 491 A N 3.772 126.613 122.820 0.035 0.000 2.548 491 A HA 0.072 4.392 4.320 -0.000 0.000 0.247 491 A C 0.412 177.962 177.584 -0.058 0.000 1.067 491 A CA -0.233 51.823 52.037 0.031 0.000 0.757 491 A CB 0.353 19.418 19.000 0.109 0.000 0.996 491 A HN 0.514 nan 8.150 nan 0.000 0.504 492 V N 3.908 123.759 119.914 -0.106 0.000 2.686 492 V HA 0.275 4.394 4.120 -0.000 0.000 0.295 492 V C 0.282 176.339 176.094 -0.062 0.000 1.055 492 V CA 0.025 62.223 62.300 -0.170 0.000 1.050 492 V CB 1.378 33.069 31.823 -0.220 0.000 0.984 492 V HN 0.631 nan 8.190 nan 0.000 0.482 493 V N 4.928 124.780 119.914 -0.103 0.000 2.604 493 V HA 0.480 4.600 4.120 -0.000 0.000 0.305 493 V C -0.382 175.745 176.094 0.056 0.000 1.043 493 V CA -0.941 61.333 62.300 -0.043 0.000 0.888 493 V CB 2.167 33.915 31.823 -0.125 0.000 0.995 493 V HN 1.008 nan 8.190 nan 0.000 0.429 494 N N 2.851 121.602 118.700 0.085 0.000 2.370 494 N HA 0.674 5.414 4.740 -0.000 0.000 0.303 494 N C -1.142 174.393 175.510 0.042 0.000 1.103 494 N CA -0.565 52.593 53.050 0.180 0.000 0.848 494 N CB 1.587 40.212 38.487 0.230 0.000 1.235 494 N HN 0.469 nan 8.380 nan 0.000 0.496 495 F N 1.027 121.025 119.950 0.079 0.000 2.375 495 F HA 0.372 4.899 4.527 -0.000 0.000 0.333 495 F C -1.728 174.087 175.800 0.025 0.000 1.104 495 F CA -1.835 56.191 58.000 0.044 0.000 1.149 495 F CB 0.842 39.869 39.000 0.044 0.000 1.190 495 F HN 0.286 nan 8.300 nan 0.000 0.533 496 P HA 0.103 nan 4.420 nan 0.000 0.268 496 P C -1.054 176.283 177.300 0.062 0.000 1.204 496 P CA -0.134 63.004 63.100 0.062 0.000 0.768 496 P CB 0.666 32.381 31.700 0.025 0.000 0.842 497 V N 1.421 121.315 119.914 -0.033 0.000 2.769 497 V HA 0.786 4.905 4.120 -0.000 0.000 0.312 497 V C -2.384 173.618 176.094 -0.152 0.000 1.058 497 V CA -2.700 59.545 62.300 -0.091 0.000 0.952 497 V CB 1.597 33.340 31.823 -0.133 0.000 1.019 497 V HN 0.374 nan 8.190 nan 0.000 0.445 498 P HA 0.375 nan 4.420 nan 0.000 0.279 498 P C 0.211 177.414 177.300 -0.161 0.000 1.276 498 P CA -0.396 62.621 63.100 -0.139 0.000 0.801 498 P CB 0.778 32.410 31.700 -0.113 0.000 1.127 499 N N -1.058 117.581 118.700 -0.101 0.000 2.120 499 N HA -0.050 4.690 4.740 -0.000 0.000 0.188 499 N C 0.706 176.168 175.510 -0.080 0.000 1.024 499 N CA 1.351 54.362 53.050 -0.065 0.000 0.852 499 N CB -0.502 37.969 38.487 -0.026 0.000 1.003 499 N HN 0.399 nan 8.380 nan 0.000 0.424 500 V N -1.647 118.210 119.914 -0.095 0.000 3.078 500 V HA 0.679 4.799 4.120 -0.000 0.000 0.311 500 V C -0.391 175.633 176.094 -0.117 0.000 1.138 500 V CA -1.373 60.871 62.300 -0.093 0.000 1.007 500 V CB 2.208 33.992 31.823 -0.064 0.000 1.045 500 V HN 0.097 nan 8.190 nan 0.000 0.432 501 I N 0.784 121.294 120.570 -0.100 0.000 2.797 501 I HA 0.854 5.024 4.170 -0.000 0.000 0.307 501 I C -0.425 175.675 176.117 -0.029 0.000 1.033 501 I CA -0.725 60.536 61.300 -0.065 0.000 1.071 501 I CB 2.080 40.055 38.000 -0.042 0.000 1.255 501 I HN 1.031 nan 8.210 nan 0.000 0.445 502 Q N 2.682 122.469 119.800 -0.021 0.000 2.394 502 Q HA 0.602 4.941 4.340 -0.000 0.000 0.273 502 Q C -1.415 174.573 176.000 -0.019 0.000 1.089 502 Q CA -0.806 54.984 55.803 -0.022 0.000 0.812 502 Q CB 2.049 30.769 28.738 -0.030 0.000 1.353 502 Q HN 0.727 nan 8.270 nan 0.000 0.438 503 S N 1.716 117.397 115.700 -0.031 0.000 2.530 503 S HA 0.463 4.933 4.470 -0.000 0.000 0.322 503 S C -0.982 173.589 174.600 -0.049 0.000 1.085 503 S CA -0.503 57.672 58.200 -0.041 0.000 1.096 503 S CB 0.969 64.133 63.200 -0.059 0.000 0.988 503 S HN 0.475 nan 8.310 nan 0.000 0.466 504 V N 5.668 125.558 119.914 -0.040 0.000 2.370 504 V HA 0.481 4.601 4.120 -0.000 0.000 0.279 504 V C -0.073 176.000 176.094 -0.035 0.000 1.029 504 V CA -0.413 61.864 62.300 -0.038 0.000 0.870 504 V CB 1.471 33.276 31.823 -0.031 0.000 0.984 504 V HN 0.883 nan 8.190 nan 0.000 0.451 505 E N 5.812 125.990 120.200 -0.037 0.000 2.873 505 E HA 0.438 4.788 4.350 -0.000 0.000 0.232 505 E C -0.781 175.808 176.600 -0.018 0.000 1.123 505 E CA -0.185 56.198 56.400 -0.028 0.000 0.809 505 E CB 1.507 31.186 29.700 -0.034 0.000 1.366 505 E HN 0.753 nan 8.360 nan 0.000 0.400 506 I N -1.522 119.041 120.570 -0.013 0.000 2.957 506 I HA 0.492 4.662 4.170 -0.000 0.000 0.310 506 I C 0.409 176.528 176.117 0.004 0.000 1.063 506 I CA -0.954 60.343 61.300 -0.006 0.000 1.033 506 I CB 1.838 39.830 38.000 -0.013 0.000 1.230 506 I HN -0.012 nan 8.210 nan 0.000 0.447 507 N N 1.471 120.178 118.700 0.012 0.000 2.409 507 N HA 0.062 4.802 4.740 -0.000 0.000 0.174 507 N C -0.532 174.984 175.510 0.009 0.000 1.037 507 N CA 0.668 53.731 53.050 0.021 0.000 0.898 507 N CB -0.124 38.386 38.487 0.038 0.000 1.010 507 N HN 0.862 nan 8.380 nan 0.000 0.445 508 D N -1.756 118.644 120.400 0.001 0.000 2.992 508 D HA -0.024 4.615 4.640 -0.000 0.000 0.349 508 D C 0.061 176.355 176.300 -0.009 0.000 1.393 508 D CA -0.473 53.524 54.000 -0.004 0.000 0.887 508 D CB 0.236 41.033 40.800 -0.006 0.000 1.447 508 D HN -0.100 nan 8.370 nan 0.000 0.524 509 E N 0.128 120.321 120.200 -0.011 0.000 2.474 509 E HA 0.155 4.505 4.350 -0.000 0.000 0.195 509 E C -0.132 176.459 176.600 -0.015 0.000 1.039 509 E CA -0.165 56.226 56.400 -0.014 0.000 0.881 509 E CB 0.087 29.779 29.700 -0.013 0.000 0.970 509 E HN 0.228 nan 8.360 nan 0.000 0.486 510 V N 2.656 122.561 119.914 -0.014 0.000 2.530 510 V HA 0.017 4.137 4.120 -0.000 0.000 0.282 510 V C 0.249 176.334 176.094 -0.016 0.000 1.048 510 V CA -0.482 61.809 62.300 -0.014 0.000 0.997 510 V CB 1.008 32.823 31.823 -0.014 0.000 0.987 510 V HN 0.095 nan 8.190 nan 0.000 0.477 511 D N 3.866 124.257 120.400 -0.016 0.000 2.472 511 D HA 0.260 4.899 4.640 -0.000 0.000 0.248 511 D C 0.100 176.392 176.300 -0.014 0.000 1.174 511 D CA 0.646 54.636 54.000 -0.018 0.000 0.883 511 D CB 0.452 41.243 40.800 -0.015 0.000 1.149 511 D HN 0.818 nan 8.370 nan 0.000 0.488 512 S N 2.362 118.053 115.700 -0.016 0.000 2.588 512 S HA 0.680 5.150 4.470 -0.000 0.000 0.269 512 S C -3.039 171.555 174.600 -0.010 0.000 1.157 512 S CA -1.527 56.668 58.200 -0.009 0.000 0.824 512 S CB 1.737 64.931 63.200 -0.009 0.000 1.126 512 S HN 0.090 nan 8.310 nan 0.000 0.464 513 P HA 0.437 nan 4.420 nan 0.000 0.268 513 P C -1.181 176.118 177.300 -0.001 0.000 1.205 513 P CA -0.319 62.784 63.100 0.004 0.000 0.771 513 P CB 0.568 32.281 31.700 0.022 0.000 0.858 514 V N 3.794 123.700 119.914 -0.013 0.000 2.709 514 V HA 0.275 4.395 4.120 -0.000 0.000 0.308 514 V C -0.181 175.905 176.094 -0.012 0.000 1.062 514 V CA -0.819 61.470 62.300 -0.018 0.000 0.901 514 V CB 2.079 33.877 31.823 -0.041 0.000 1.003 514 V HN 0.436 nan 8.190 nan 0.000 0.425 515 N N 3.517 122.211 118.700 -0.011 0.000 2.411 515 N HA 0.250 4.990 4.740 -0.000 0.000 0.259 515 N C -0.639 174.833 175.510 -0.063 0.000 1.103 515 N CA -0.370 52.663 53.050 -0.029 0.000 0.954 515 N CB 1.489 39.953 38.487 -0.038 0.000 1.085 515 N HN 0.432 nan 8.380 nan 0.000 0.485 516 L N 4.177 125.401 121.223 0.001 0.000 2.295 516 L HA 0.227 4.567 4.340 -0.000 0.000 0.288 516 L C -0.607 176.321 176.870 0.096 0.000 1.079 516 L CA -0.337 54.552 54.840 0.081 0.000 0.830 516 L CB 0.675 42.833 42.059 0.164 0.000 1.200 516 L HN 0.191 nan 8.230 nan 0.000 0.438 517 V N 6.873 126.754 119.914 -0.055 0.000 2.398 517 V HA 0.597 4.716 4.120 -0.000 0.000 0.286 517 V C -0.207 175.947 176.094 0.099 0.000 1.026 517 V CA -0.461 61.676 62.300 -0.272 0.000 0.868 517 V CB 0.882 32.309 31.823 -0.660 0.000 0.982 517 V HN 0.625 nan 8.190 nan 0.000 0.443 518 F N 2.544 122.570 119.950 0.127 0.000 2.711 518 F HA 0.706 5.233 4.527 -0.000 0.000 0.313 518 F C -1.198 174.709 175.800 0.179 0.000 1.141 518 F CA -1.749 56.327 58.000 0.126 0.000 0.941 518 F CB 0.882 39.871 39.000 -0.018 0.000 1.349 518 F HN 0.250 nan 8.300 nan 0.000 0.464 519 Y N 1.268 121.661 120.300 0.155 0.000 2.610 519 Y HA 0.149 4.699 4.550 -0.000 0.000 0.332 519 Y C 1.956 177.899 175.900 0.071 0.000 1.201 519 Y CA 0.316 58.367 58.100 -0.082 0.000 1.465 519 Y CB 0.590 38.994 38.460 -0.094 0.000 1.283 519 Y HN 0.881 nan 8.280 nan 0.000 0.563 520 S N 3.591 119.420 115.700 0.216 0.000 2.380 520 S HA -0.282 4.188 4.470 -0.000 0.000 0.229 520 S C 1.997 176.741 174.600 0.240 0.000 1.043 520 S CA 2.007 60.326 58.200 0.198 0.000 1.038 520 S CB -0.654 62.634 63.200 0.147 0.000 0.872 520 S HN 0.672 nan 8.310 nan 0.000 0.456 521 F N 2.569 122.592 119.950 0.121 0.000 2.333 521 F HA 0.117 4.644 4.527 -0.000 0.000 0.300 521 F C 1.603 177.479 175.800 0.127 0.000 1.083 521 F CA 0.965 59.016 58.000 0.085 0.000 1.395 521 F CB -0.616 38.379 39.000 -0.008 0.000 1.056 521 F HN 0.360 nan 8.300 nan 0.000 0.529 522 I N -1.400 118.855 120.570 -0.525 0.000 3.735 522 I HA 0.084 4.253 4.170 -0.000 0.000 0.310 522 I C 1.405 177.431 176.117 -0.151 0.000 1.270 522 I CA 0.349 61.389 61.300 -0.435 0.000 1.207 522 I CB -0.992 36.693 38.000 -0.524 0.000 1.013 522 I HN 0.018 nan 8.210 nan 0.000 0.452 523 T N 2.876 117.476 114.554 0.077 0.000 2.653 523 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 523 T C -0.348 174.360 174.700 0.014 0.000 1.035 523 T CA 2.314 64.502 62.100 0.147 0.000 1.154 523 T CB -1.319 67.718 68.868 0.282 0.000 0.862 523 T HN 0.405 nan 8.240 nan 0.000 0.441 524 P HA -0.043 nan 4.420 nan 0.000 0.216 524 P C 1.338 178.656 177.300 0.029 0.000 1.150 524 P CA 0.926 64.045 63.100 0.031 0.000 0.837 524 P CB -0.160 31.555 31.700 0.026 0.000 0.786 525 N N -0.407 118.270 118.700 -0.039 0.000 2.106 525 N HA -0.102 4.637 4.740 -0.000 0.000 0.188 525 N C 1.708 177.231 175.510 0.021 0.000 1.029 525 N CA 1.144 54.179 53.050 -0.024 0.000 0.848 525 N CB -0.526 37.894 38.487 -0.113 0.000 1.007 525 N HN 0.099 nan 8.380 nan 0.000 0.423 526 I N 1.848 122.309 120.570 -0.182 0.000 2.226 526 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 526 I C 2.319 178.373 176.117 -0.105 0.000 1.100 526 I CA 0.906 62.030 61.300 -0.293 0.000 1.374 526 I CB -0.823 36.675 38.000 -0.838 0.000 1.057 526 I HN 0.053 nan 8.210 nan 0.000 0.413 527 I N -0.178 120.373 120.570 -0.031 0.000 2.163 527 I HA -0.298 3.871 4.170 -0.000 0.000 0.243 527 I C 2.549 178.717 176.117 0.084 0.000 1.085 527 I CA 1.416 62.743 61.300 0.045 0.000 1.347 527 I CB -1.331 36.711 38.000 0.070 0.000 1.044 527 I HN 0.415 nan 8.210 nan 0.000 0.408 528 W N 1.903 123.172 121.300 -0.052 0.000 2.358 528 W HA -0.210 4.450 4.660 -0.000 0.000 0.303 528 W C 2.614 179.110 176.519 -0.038 0.000 1.208 528 W CA 2.576 59.898 57.345 -0.038 0.000 1.274 528 W CB -0.163 29.272 29.460 -0.041 0.000 1.138 528 W HN 0.123 nan 8.180 nan 0.000 0.515 529 A N 0.423 123.286 122.820 0.071 0.000 1.877 529 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 529 A C 2.079 179.532 177.584 -0.219 0.000 1.186 529 A CA 1.869 53.816 52.037 -0.151 0.000 0.620 529 A CB -1.167 17.856 19.000 0.039 0.000 0.822 529 A HN 0.393 nan 8.150 nan 0.000 0.443 530 L N -1.115 120.047 121.223 -0.102 0.000 2.079 530 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 530 L C 2.569 179.420 176.870 -0.032 0.000 1.081 530 L CA 1.573 56.401 54.840 -0.021 0.000 0.752 530 L CB -0.394 41.721 42.059 0.094 0.000 0.896 530 L HN 0.192 nan 8.230 nan 0.000 0.433 531 K N -0.076 120.248 120.400 -0.125 0.000 2.057 531 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 531 K C 2.060 178.507 176.600 -0.255 0.000 1.050 531 K CA 0.963 57.153 56.287 -0.161 0.000 0.935 531 K CB -0.237 32.167 32.500 -0.159 0.000 0.715 531 K HN 0.139 nan 8.250 nan 0.000 0.439 532 E N 0.307 120.226 120.200 -0.468 0.000 2.160 532 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 532 E C 1.555 178.000 176.600 -0.257 0.000 0.991 532 E CA 0.894 57.009 56.400 -0.475 0.000 0.810 532 E CB -0.066 29.154 29.700 -0.798 0.000 0.742 532 E HN 0.303 nan 8.360 nan 0.000 0.466 533 L N 0.941 122.051 121.223 -0.188 0.000 2.627 533 L HA 0.047 4.387 4.340 -0.000 0.000 0.233 533 L C 0.036 176.894 176.870 -0.020 0.000 1.144 533 L CA -0.104 54.682 54.840 -0.091 0.000 0.892 533 L CB -0.346 41.667 42.059 -0.076 0.000 1.039 533 L HN 0.015 nan 8.230 nan 0.000 0.442 534 N N -0.012 118.665 118.700 -0.037 0.000 2.735 534 N HA -0.266 4.474 4.740 -0.000 0.000 0.248 534 N C -0.370 175.174 175.510 0.058 0.000 1.083 534 N CA 0.805 53.848 53.050 -0.012 0.000 0.703 534 N CB -1.369 37.106 38.487 -0.020 0.000 1.005 534 N HN 0.214 nan 8.380 nan 0.000 0.550 535 F N 1.429 121.330 119.950 -0.081 0.000 2.313 535 F HA 0.312 4.839 4.527 -0.000 0.000 0.369 535 F C 0.284 176.055 175.800 -0.049 0.000 1.109 535 F CA -0.619 57.346 58.000 -0.058 0.000 1.132 535 F CB 0.702 39.669 39.000 -0.055 0.000 1.291 535 F HN -0.167 nan 8.300 nan 0.000 0.496 536 S N 4.205 119.630 115.700 -0.458 0.000 2.474 536 S HA 0.476 4.945 4.470 -0.000 0.000 0.276 536 S C -0.021 174.241 174.600 -0.563 0.000 1.227 536 S CA -0.107 57.867 58.200 -0.376 0.000 1.050 536 S CB 0.844 63.897 63.200 -0.245 0.000 0.939 536 S HN 0.735 nan 8.310 nan 0.000 0.490 537 T N 2.092 116.451 114.554 -0.325 0.000 2.957 537 T HA 0.249 4.599 4.350 -0.000 0.000 0.336 537 T C -0.837 173.821 174.700 -0.070 0.000 1.462 537 T CA -0.526 61.449 62.100 -0.209 0.000 1.073 537 T CB 1.536 70.294 68.868 -0.183 0.000 1.319 537 T HN 0.593 nan 8.240 nan 0.000 0.485 538 E N 2.024 122.200 120.200 -0.040 0.000 2.499 538 E HA 0.179 4.528 4.350 -0.000 0.000 0.207 538 E C 0.137 176.751 176.600 0.023 0.000 1.034 538 E CA -0.161 56.237 56.400 -0.003 0.000 1.098 538 E CB 0.423 30.117 29.700 -0.010 0.000 1.148 538 E HN 0.494 nan 8.360 nan 0.000 0.447 539 Q N 1.154 120.977 119.800 0.039 0.000 2.313 539 Q HA 0.130 4.470 4.340 -0.000 0.000 0.266 539 Q C -0.254 175.799 176.000 0.088 0.000 0.989 539 Q CA -0.376 55.468 55.803 0.067 0.000 0.890 539 Q CB 0.941 29.735 28.738 0.093 0.000 1.200 539 Q HN 0.108 nan 8.270 nan 0.000 0.396 540 V N 2.477 122.440 119.914 0.082 0.000 2.743 540 V HA 0.512 4.632 4.120 -0.000 0.000 0.301 540 V C -2.290 173.870 176.094 0.109 0.000 1.057 540 V CA -2.187 60.169 62.300 0.094 0.000 1.006 540 V CB 0.595 32.462 31.823 0.072 0.000 1.024 540 V HN 0.769 nan 8.190 nan 0.000 0.473 541 P HA 0.279 nan 4.420 nan 0.000 0.271 541 P C -0.066 177.274 177.300 0.067 0.000 1.220 541 P CA 0.176 63.340 63.100 0.106 0.000 0.768 541 P CB 0.366 32.142 31.700 0.127 0.000 0.848 542 T N 0.749 115.337 114.554 0.056 0.000 2.902 542 T HA 0.457 4.807 4.350 -0.000 0.000 0.283 542 T C -2.621 172.118 174.700 0.066 0.000 1.009 542 T CA -2.932 59.204 62.100 0.059 0.000 1.051 542 T CB 0.478 69.383 68.868 0.062 0.000 0.999 542 T HN 0.073 nan 8.240 nan 0.000 0.474 543 P HA -0.093 nan 4.420 nan 0.000 0.255 543 P C -0.809 176.562 177.300 0.118 0.000 1.132 543 P CA 0.582 63.734 63.100 0.087 0.000 0.766 543 P CB -0.090 31.644 31.700 0.056 0.000 0.715 544 Y N 2.903 123.224 120.300 0.037 0.000 2.506 544 Y HA 0.277 4.827 4.550 -0.000 0.000 0.287 544 Y C 0.870 176.803 175.900 0.055 0.000 1.147 544 Y CA 0.743 58.861 58.100 0.029 0.000 1.241 544 Y CB 0.866 39.332 38.460 0.009 0.000 1.279 544 Y HN 0.368 nan 8.280 nan 0.000 0.527 545 S N -0.499 115.358 115.700 0.261 0.000 2.552 545 S HA 0.208 4.677 4.470 -0.000 0.000 0.272 545 S C -0.784 173.997 174.600 0.302 0.000 1.150 545 S CA -0.165 58.155 58.200 0.201 0.000 0.849 545 S CB 0.901 64.210 63.200 0.181 0.000 1.113 545 S HN 0.494 nan 8.310 nan 0.000 0.458 546 D N 1.821 122.310 120.400 0.148 0.000 2.417 546 D HA 0.112 4.751 4.640 -0.000 0.000 0.207 546 D C 0.368 176.605 176.300 -0.105 0.000 1.075 546 D CA 0.028 54.047 54.000 0.032 0.000 0.851 546 D CB -0.008 40.767 40.800 -0.041 0.000 0.976 546 D HN 0.545 nan 8.370 nan 0.000 0.505 547 I N 2.305 122.907 120.570 0.054 0.000 2.505 547 I HA 0.022 4.191 4.170 -0.000 0.000 0.287 547 I C -0.031 176.254 176.117 0.280 0.000 1.104 547 I CA -0.403 60.919 61.300 0.037 0.000 1.387 547 I CB -0.050 38.001 38.000 0.085 0.000 1.404 547 I HN -0.180 nan 8.210 nan 0.000 0.528 548 Y N 5.173 125.620 120.300 0.246 0.000 2.379 548 Y HA -0.001 4.548 4.550 -0.000 0.000 0.337 548 Y C 0.877 176.953 175.900 0.294 0.000 1.238 548 Y CA -0.578 57.652 58.100 0.218 0.000 1.405 548 Y CB 0.279 38.783 38.460 0.074 0.000 1.310 548 Y HN 0.460 nan 8.280 nan 0.000 0.569 549 L N 2.233 123.766 121.223 0.516 0.000 2.042 549 L HA -0.086 4.253 4.340 -0.000 0.000 0.210 549 L C 2.163 179.177 176.870 0.240 0.000 1.076 549 L CA 2.324 57.429 54.840 0.441 0.000 0.749 549 L CB -1.202 41.133 42.059 0.460 0.000 0.893 549 L HN 0.905 nan 8.230 nan 0.000 0.432 550 G N -1.988 106.907 108.800 0.157 0.000 2.469 550 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.220 550 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.220 550 G C 1.426 176.368 174.900 0.070 0.000 1.136 550 G CA 1.312 46.436 45.100 0.041 0.000 0.759 550 G HN 0.459 nan 8.290 nan 0.000 0.562 551 T N 1.443 116.077 114.554 0.133 0.000 2.737 551 T HA -0.030 4.320 4.350 -0.000 0.000 0.265 551 T C 2.432 177.192 174.700 0.099 0.000 1.038 551 T CA 0.959 63.122 62.100 0.106 0.000 1.144 551 T CB -0.259 68.671 68.868 0.103 0.000 0.866 551 T HN 0.172 nan 8.240 nan 0.000 0.434 552 L N 0.435 121.736 121.223 0.129 0.000 2.043 552 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 552 L C 2.495 179.419 176.870 0.090 0.000 1.075 552 L CA 0.976 55.879 54.840 0.105 0.000 0.752 552 L CB -0.651 41.479 42.059 0.118 0.000 0.891 552 L HN 0.224 nan 8.230 nan 0.000 0.432 553 L N 0.100 121.367 121.223 0.074 0.000 2.027 553 L HA -0.174 4.166 4.340 -0.000 0.000 0.206 553 L C 2.205 179.079 176.870 0.006 0.000 1.074 553 L CA 1.754 56.612 54.840 0.029 0.000 0.745 553 L CB -0.779 41.300 42.059 0.033 0.000 0.898 553 L HN 0.180 nan 8.230 nan 0.000 0.433 554 N N 0.270 119.004 118.700 0.057 0.000 2.036 554 N HA -0.223 4.516 4.740 -0.000 0.000 0.195 554 N C 1.791 177.308 175.510 0.012 0.000 1.037 554 N CA 1.967 55.056 53.050 0.065 0.000 0.855 554 N CB -0.254 38.301 38.487 0.114 0.000 1.033 554 N HN 0.529 nan 8.380 nan 0.000 0.423 555 E N -0.817 119.407 120.200 0.041 0.000 2.106 555 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 555 E C 1.665 178.272 176.600 0.011 0.000 0.984 555 E CA 0.409 56.824 56.400 0.025 0.000 0.806 555 E CB -0.200 29.522 29.700 0.037 0.000 0.750 555 E HN 0.324 nan 8.360 nan 0.000 0.458 556 F N 1.278 121.173 119.950 -0.091 0.000 2.095 556 F HA -0.245 4.282 4.527 -0.000 0.000 0.298 556 F C 2.109 177.825 175.800 -0.141 0.000 1.104 556 F CA 1.242 59.175 58.000 -0.112 0.000 1.232 556 F CB -0.180 38.741 39.000 -0.131 0.000 0.987 556 F HN -0.208 nan 8.300 nan 0.000 0.475 557 V N 0.388 120.214 119.914 -0.146 0.000 2.358 557 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 557 V C 2.718 178.689 176.094 -0.206 0.000 1.047 557 V CA 1.579 63.715 62.300 -0.273 0.000 1.035 557 V CB -1.511 29.970 31.823 -0.571 0.000 0.658 557 V HN 0.486 nan 8.190 nan 0.000 0.452 558 A N 0.240 122.979 122.820 -0.135 0.000 1.908 558 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 558 A C 1.328 178.855 177.584 -0.095 0.000 1.181 558 A CA 1.490 53.486 52.037 -0.068 0.000 0.627 558 A CB -0.731 18.253 19.000 -0.027 0.000 0.818 558 A HN 0.719 nan 8.150 nan 0.000 0.445 559 N N 0.000 118.605 118.700 -0.159 0.000 1.763 559 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 559 N CA 0.000 52.947 53.050 -0.171 0.000 0.885 559 N CB 0.000 38.380 38.487 -0.179 0.000 1.341 559 N HN 0.000 nan 8.380 nan 0.000 0.667