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 1keh_1_A DATA FIRST_RESID 7 DATA SEQUENCE QAPIAAYKPR SNEILWDGYG VPHIYGVDAP SAFYGYGWAQ ARSHGDNILR DATA SEQUENCE LYGEARGKGA EYWGPDYEQT TVWLLTNGVP ERAQQWYAQQ SPDFRANLDA DATA SEQUENCE FAAGINAYAQ QNPDDISPEV RQVLPVSGAD VVAHAHRLMN FLYVASPGRT DATA SEQUENCE LGEGDPPDLA DQGANSWAVA PGKTANGNAL LLQNPHLSWT TDYFTYYEAH DATA SEQUENCE LVTPDFEIYG ATQIGLPVIR FAFNQRMGIT NTVNGMVGAT NYRLTLQDGG DATA SEQUENCE YLYDGQVRPF ERRQASYRLR QADGSTVDKP LEIRSSVHGP VFERADGTAV DATA SEQUENCE AVRVAGLDRP GMLEQYFDMI TAHSFDDYEA AMARMQVPTF NIVYADREGT DATA SEQUENCE INYSFNGVAP KRAEGDIAFW QGNVPGDSSR YLWTETHPLD DLPRVTNPPG DATA SEQUENCE GFVQNSNDPP WTPTWPVTYC PANHPSYLAP QTPHSLRAQQ SVRLMSENDD DATA SEQUENCE LTLERFMALQ FSHRAVMADR TLPDLIPAAL IDPDPEVQAA ARLLAAWDRD DATA SEQUENCE FTSDSRAALL FEEWARLFAG QNFAGQAAFA TPWSLDKPVS TPYGVRDPKA DATA SEQUENCE AVDQLRTAIA NTKRKYGAID RPFGDASRMI LNDVNVPGAA GYGNLGSFRV DATA SEQUENCE FTWSDPDENG IRTPVHGETW VAMIEFSTPV RAYGLMSYGN SRQPGTTHYS DATA SEQUENCE DQIERVSRAD FRELLLRREQ VEAAVQERTP FNF 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 7 Q HA 0.000 nan 4.340 nan 0.000 0.214 7 Q C 0.000 176.025 176.000 0.041 0.000 1.003 7 Q CA 0.000 55.823 55.803 0.033 0.000 1.022 7 Q CB 0.000 28.756 28.738 0.030 0.000 1.108 8 A N 1.965 124.812 122.820 0.044 0.000 2.293 8 A HA 0.761 5.082 4.320 0.003 0.000 0.302 8 A C -2.323 175.297 177.584 0.061 0.000 1.119 8 A CA -1.021 51.049 52.037 0.054 0.000 0.823 8 A CB -0.081 18.951 19.000 0.052 0.000 1.097 8 A HN 0.348 nan 8.150 nan 0.000 0.491 9 P HA 0.212 nan 4.420 nan 0.000 0.269 9 P C 0.017 177.364 177.300 0.078 0.000 1.215 9 P CA -0.121 63.029 63.100 0.083 0.000 0.780 9 P CB 0.222 31.981 31.700 0.099 0.000 0.898 10 I N -1.040 119.576 120.570 0.077 0.000 2.813 10 I HA 0.305 4.476 4.170 0.003 0.000 0.287 10 I C 0.327 176.496 176.117 0.087 0.000 1.196 10 I CA -0.838 60.506 61.300 0.073 0.000 1.421 10 I CB 0.199 38.239 38.000 0.068 0.000 1.365 10 I HN 0.263 nan 8.210 nan 0.000 0.591 11 A N 5.206 128.077 122.820 0.084 0.000 2.566 11 A HA 0.457 4.778 4.320 0.003 0.000 0.245 11 A C 0.688 178.344 177.584 0.119 0.000 1.056 11 A CA 0.182 52.275 52.037 0.094 0.000 0.757 11 A CB -0.467 18.584 19.000 0.085 0.000 0.979 11 A HN 1.160 nan 8.150 nan 0.000 0.508 12 A N 2.466 125.360 122.820 0.123 0.000 2.332 12 A HA 0.481 4.802 4.320 0.003 0.000 0.258 12 A C -0.084 177.611 177.584 0.184 0.000 1.087 12 A CA -0.277 51.850 52.037 0.151 0.000 0.802 12 A CB 0.024 19.100 19.000 0.127 0.000 1.042 12 A HN 1.064 nan 8.150 nan 0.000 0.489 13 Y N 1.327 121.677 120.300 0.084 0.000 2.359 13 Y HA 0.292 4.844 4.550 0.002 0.000 0.330 13 Y C 0.135 176.079 175.900 0.073 0.000 1.143 13 Y CA -0.150 58.003 58.100 0.089 0.000 1.318 13 Y CB 0.778 39.326 38.460 0.146 0.000 1.234 13 Y HN 0.439 nan 8.280 nan 0.000 0.522 14 K N 8.908 128.967 120.400 -0.569 0.000 2.300 14 K HA 0.260 4.582 4.320 0.003 0.000 0.264 14 K C -2.712 173.423 176.600 -0.775 0.000 1.083 14 K CA -1.947 54.059 56.287 -0.468 0.000 0.958 14 K CB 0.547 32.889 32.500 -0.262 0.000 1.318 14 K HN 0.523 nan 8.250 nan 0.000 0.448 15 P HA 0.132 nan 4.420 nan 0.000 0.267 15 P C -0.009 177.179 177.300 -0.187 0.000 1.205 15 P CA -0.072 62.861 63.100 -0.279 0.000 0.765 15 P CB 0.770 32.517 31.700 0.078 0.000 0.828 16 R N 1.217 121.632 120.500 -0.142 0.000 2.393 16 R HA 0.191 4.533 4.340 0.003 0.000 0.244 16 R C 0.287 176.546 176.300 -0.068 0.000 0.920 16 R CA 0.114 56.158 56.100 -0.093 0.000 1.076 16 R CB 0.276 30.532 30.300 -0.073 0.000 1.119 16 R HN 0.706 nan 8.270 nan 0.000 0.524 17 S N -1.013 114.645 115.700 -0.069 0.000 2.597 17 S HA 0.251 4.723 4.470 0.003 0.000 0.274 17 S C -1.559 172.952 174.600 -0.149 0.000 1.132 17 S CA -1.278 56.859 58.200 -0.105 0.000 0.835 17 S CB 1.055 64.198 63.200 -0.096 0.000 1.092 17 S HN -0.035 nan 8.310 nan 0.000 0.457 18 N N 2.430 120.938 118.700 -0.321 0.000 2.444 18 N HA 0.482 5.224 4.740 0.003 0.000 0.271 18 N C -0.400 174.722 175.510 -0.648 0.000 1.069 18 N CA -0.153 52.495 53.050 -0.671 0.000 0.965 18 N CB 0.858 38.541 38.487 -1.341 0.000 1.092 18 N HN 0.848 nan 8.380 nan 0.000 0.476 19 E N 1.017 121.128 120.200 -0.147 0.000 2.380 19 E HA 0.382 4.734 4.350 0.003 0.000 0.281 19 E C -1.462 175.390 176.600 0.419 0.000 0.999 19 E CA -0.704 55.801 56.400 0.175 0.000 0.800 19 E CB 0.968 30.698 29.700 0.050 0.000 1.228 19 E HN 0.291 nan 8.360 nan 0.000 0.436 20 I N 2.607 123.376 120.570 0.332 0.000 2.362 20 I HA 0.297 4.469 4.170 0.003 0.000 0.289 20 I C -0.451 175.738 176.117 0.121 0.000 0.994 20 I CA -0.980 60.393 61.300 0.123 0.000 1.158 20 I CB 1.215 39.126 38.000 -0.149 0.000 1.315 20 I HN 0.378 nan 8.210 nan 0.000 0.451 21 L N 6.012 127.336 121.223 0.169 0.000 2.276 21 L HA 0.362 4.704 4.340 0.003 0.000 0.286 21 L C -1.081 175.956 176.870 0.278 0.000 1.024 21 L CA -0.511 54.472 54.840 0.239 0.000 0.826 21 L CB 0.537 42.724 42.059 0.214 0.000 1.211 21 L HN 0.527 nan 8.230 nan 0.000 0.422 22 W N 2.337 123.779 121.300 0.237 0.000 2.376 22 W HA 0.296 4.958 4.660 0.003 0.000 0.322 22 W C 0.511 177.153 176.519 0.205 0.000 1.160 22 W CA -0.354 57.118 57.345 0.212 0.000 1.218 22 W CB 0.838 30.384 29.460 0.143 0.000 1.205 22 W HN 0.464 nan 8.180 nan 0.000 0.559 23 D N -0.001 120.675 120.400 0.460 0.000 2.437 23 D HA 0.312 4.953 4.640 0.003 0.000 0.259 23 D C 1.442 177.890 176.300 0.247 0.000 1.118 23 D CA -0.716 53.487 54.000 0.339 0.000 1.017 23 D CB 0.291 41.321 40.800 0.383 0.000 1.120 23 D HN 0.490 nan 8.370 nan 0.000 0.541 24 G N -1.289 107.625 108.800 0.190 0.000 2.537 24 G HA2 -0.249 3.713 3.960 0.003 0.000 0.220 24 G HA3 -0.249 3.713 3.960 0.003 0.000 0.220 24 G C 0.589 175.453 174.900 -0.060 0.000 1.111 24 G CA 0.612 45.749 45.100 0.061 0.000 0.748 24 G HN 0.513 nan 8.290 nan 0.000 0.564 25 Y N -0.455 119.897 120.300 0.087 0.000 2.507 25 Y HA 0.373 4.924 4.550 0.003 0.000 0.254 25 Y C 1.835 177.524 175.900 -0.353 0.000 1.171 25 Y CA -0.116 57.995 58.100 0.017 0.000 1.238 25 Y CB 0.667 39.188 38.460 0.101 0.000 1.148 25 Y HN 0.216 nan 8.280 nan 0.000 0.525 26 G N 0.495 109.025 108.800 -0.450 0.000 2.147 26 G HA2 -0.247 3.715 3.960 0.003 0.000 0.244 26 G HA3 -0.247 3.715 3.960 0.003 0.000 0.244 26 G C -0.396 174.617 174.900 0.188 0.000 1.005 26 G CA 0.152 45.040 45.100 -0.353 0.000 0.713 26 G HN 0.105 nan 8.290 nan 0.000 0.515 27 V N 2.984 123.006 119.914 0.179 0.000 2.348 27 V HA 0.431 4.552 4.120 0.003 0.000 0.270 27 V C -1.299 174.724 176.094 -0.118 0.000 1.037 27 V CA -1.397 60.898 62.300 -0.009 0.000 0.872 27 V CB 1.573 33.390 31.823 -0.010 0.000 1.002 27 V HN 0.282 nan 8.190 nan 0.000 0.464 28 P HA 0.205 nan 4.420 nan 0.000 0.281 28 P C -0.769 176.152 177.300 -0.631 0.000 1.252 28 P CA -0.172 62.453 63.100 -0.793 0.000 0.778 28 P CB 0.637 31.669 31.700 -1.115 0.000 0.895 29 H N 3.884 122.807 119.070 -0.244 0.000 2.643 29 H HA 0.300 4.858 4.556 0.003 0.000 0.259 29 H C 0.185 175.409 175.328 -0.173 0.000 1.298 29 H CA -0.640 55.345 56.048 -0.105 0.000 1.301 29 H CB 0.119 30.007 29.762 0.211 0.000 1.422 29 H HN 0.311 nan 8.280 nan 0.000 0.521 30 I N 3.124 123.532 120.570 -0.271 0.000 2.517 30 I HA -0.035 4.137 4.170 0.003 0.000 0.285 30 I C -0.249 175.723 176.117 -0.241 0.000 1.106 30 I CA 0.251 61.463 61.300 -0.146 0.000 1.402 30 I CB -0.084 37.811 38.000 -0.175 0.000 1.399 30 I HN 0.291 nan 8.210 nan 0.000 0.535 31 Y N 4.724 125.069 120.300 0.075 0.000 2.328 31 Y HA 0.696 5.247 4.550 0.003 0.000 0.336 31 Y C 0.621 176.567 175.900 0.077 0.000 0.960 31 Y CA -0.835 57.290 58.100 0.043 0.000 1.134 31 Y CB 1.972 40.475 38.460 0.072 0.000 1.166 31 Y HN 0.601 nan 8.280 nan 0.000 0.464 32 G N 0.569 109.450 108.800 0.136 0.000 2.524 32 G HA2 0.447 4.408 3.960 0.003 0.000 0.310 32 G HA3 0.447 4.408 3.960 0.003 0.000 0.310 32 G C 0.410 175.334 174.900 0.039 0.000 1.279 32 G CA -0.850 44.321 45.100 0.118 0.000 0.974 32 G HN 0.670 nan 8.290 nan 0.000 0.484 33 V N -1.459 118.468 119.914 0.023 0.000 3.141 33 V HA 0.205 4.327 4.120 0.003 0.000 0.265 33 V C 0.366 176.482 176.094 0.035 0.000 1.126 33 V CA 1.431 63.733 62.300 0.004 0.000 1.141 33 V CB -1.501 30.316 31.823 -0.010 0.000 0.743 33 V HN 0.764 nan 8.190 nan 0.000 0.492 34 D N -2.992 117.457 120.400 0.081 0.000 2.665 34 D HA 0.645 5.287 4.640 0.003 0.000 0.287 34 D C 0.722 177.139 176.300 0.195 0.000 1.266 34 D CA -0.060 54.016 54.000 0.127 0.000 0.830 34 D CB 1.123 42.007 40.800 0.140 0.000 1.356 34 D HN 0.087 nan 8.370 nan 0.000 0.437 35 A N -0.327 122.662 122.820 0.281 0.000 1.865 35 A HA 0.027 4.349 4.320 0.003 0.000 0.217 35 A C -0.621 177.209 177.584 0.410 0.000 1.191 35 A CA 2.057 54.365 52.037 0.451 0.000 0.623 35 A CB -1.888 17.400 19.000 0.479 0.000 0.826 35 A HN 0.615 nan 8.150 nan 0.000 0.444 36 P HA -0.116 nan 4.420 nan 0.000 0.216 36 P C 1.713 179.092 177.300 0.131 0.000 1.150 36 P CA 1.833 65.031 63.100 0.162 0.000 0.843 36 P CB -0.117 31.749 31.700 0.277 0.000 0.787 37 S N -0.428 115.427 115.700 0.259 0.000 2.356 37 S HA -0.168 4.304 4.470 0.003 0.000 0.223 37 S C 2.085 176.936 174.600 0.418 0.000 1.032 37 S CA 1.491 59.891 58.200 0.333 0.000 1.005 37 S CB -1.177 62.203 63.200 0.300 0.000 0.867 37 S HN 0.151 nan 8.310 nan 0.000 0.449 38 A N 0.744 123.769 122.820 0.341 0.000 1.902 38 A HA -0.048 4.273 4.320 0.003 0.000 0.217 38 A C 1.860 179.590 177.584 0.244 0.000 1.181 38 A CA 1.372 53.561 52.037 0.253 0.000 0.623 38 A CB -0.890 18.188 19.000 0.130 0.000 0.818 38 A HN 0.458 nan 8.150 nan 0.000 0.443 39 F N -1.876 118.189 119.950 0.193 0.000 2.234 39 F HA -0.106 4.422 4.527 0.003 0.000 0.299 39 F C 2.144 178.083 175.800 0.232 0.000 1.087 39 F CA 1.436 59.591 58.000 0.259 0.000 1.340 39 F CB -0.633 38.453 39.000 0.143 0.000 1.031 39 F HN 0.459 nan 8.300 nan 0.000 0.500 40 Y N 0.403 120.746 120.300 0.072 0.000 2.163 40 Y HA -0.063 4.489 4.550 0.003 0.000 0.288 40 Y C 2.472 178.265 175.900 -0.178 0.000 1.136 40 Y CA 1.564 59.576 58.100 -0.146 0.000 1.147 40 Y CB -0.900 37.325 38.460 -0.393 0.000 0.987 40 Y HN -0.012 nan 8.280 nan 0.000 0.509 41 G N -0.896 107.787 108.800 -0.195 0.000 2.418 41 G HA2 -0.338 3.623 3.960 0.003 0.000 0.217 41 G HA3 -0.338 3.623 3.960 0.003 0.000 0.217 41 G C 1.722 176.532 174.900 -0.150 0.000 1.158 41 G CA 0.922 45.694 45.100 -0.547 0.000 0.771 41 G HN 0.637 nan 8.290 nan 0.000 0.545 42 Y N 1.383 121.598 120.300 -0.141 0.000 2.165 42 Y HA -0.129 4.422 4.550 0.003 0.000 0.286 42 Y C 2.885 178.717 175.900 -0.112 0.000 1.155 42 Y CA 0.873 58.947 58.100 -0.044 0.000 1.164 42 Y CB -0.070 38.420 38.460 0.050 0.000 0.978 42 Y HN 0.237 nan 8.280 nan 0.000 0.513 43 G N 0.092 108.717 108.800 -0.290 0.000 2.408 43 G HA2 -0.301 3.661 3.960 0.003 0.000 0.217 43 G HA3 -0.301 3.661 3.960 0.003 0.000 0.217 43 G C 1.382 175.933 174.900 -0.581 0.000 1.150 43 G CA 0.569 45.077 45.100 -0.986 0.000 0.776 43 G HN 0.659 nan 8.290 nan 0.000 0.542 44 W N 1.850 122.801 121.300 -0.582 0.000 2.378 44 W HA -0.008 4.654 4.660 0.003 0.000 0.313 44 W C 2.474 178.788 176.519 -0.342 0.000 1.197 44 W CA 1.933 59.013 57.345 -0.441 0.000 1.304 44 W CB -0.676 28.506 29.460 -0.465 0.000 1.148 44 W HN 0.305 nan 8.180 nan 0.000 0.494 45 A N 0.967 123.874 122.820 0.144 0.000 1.908 45 A HA -0.288 4.033 4.320 0.003 0.000 0.218 45 A C 1.984 179.550 177.584 -0.029 0.000 1.181 45 A CA 2.117 54.292 52.037 0.229 0.000 0.627 45 A CB -1.101 17.967 19.000 0.112 0.000 0.818 45 A HN 0.568 nan 8.150 nan 0.000 0.445 46 Q N -1.000 118.623 119.800 -0.296 0.000 2.224 46 Q HA -0.053 4.288 4.340 0.003 0.000 0.203 46 Q C 2.388 178.064 176.000 -0.540 0.000 0.970 46 Q CA 1.048 56.513 55.803 -0.564 0.000 0.865 46 Q CB -0.306 28.068 28.738 -0.606 0.000 0.922 46 Q HN 0.718 nan 8.270 nan 0.000 0.445 47 A N 1.239 123.686 122.820 -0.622 0.000 1.873 47 A HA -0.203 4.118 4.320 0.003 0.000 0.215 47 A C 2.026 179.028 177.584 -0.970 0.000 1.186 47 A CA 1.498 53.110 52.037 -0.708 0.000 0.616 47 A CB -0.398 18.181 19.000 -0.701 0.000 0.823 47 A HN 0.175 nan 8.150 nan 0.000 0.442 48 R N 0.729 120.429 120.500 -1.332 0.000 2.080 48 R HA -0.100 4.241 4.340 0.003 0.000 0.236 48 R C 2.091 178.093 176.300 -0.497 0.000 1.137 48 R CA 2.760 58.178 56.100 -1.136 0.000 0.943 48 R CB -0.981 28.963 30.300 -0.595 0.000 0.846 48 R HN 0.396 nan 8.270 nan 0.000 0.431 49 S N -0.601 114.902 115.700 -0.328 0.000 2.414 49 S HA 0.011 4.483 4.470 0.003 0.000 0.227 49 S C 0.564 174.749 174.600 -0.693 0.000 1.022 49 S CA 0.931 58.926 58.200 -0.341 0.000 0.958 49 S CB -0.036 63.163 63.200 -0.002 0.000 0.797 49 S HN 0.512 nan 8.310 nan 0.000 0.493 50 H N -0.857 117.999 119.070 -0.358 0.000 2.904 50 H HA 0.256 4.813 4.556 0.003 0.000 0.242 50 H C 1.689 176.808 175.328 -0.348 0.000 1.193 50 H CA 0.203 56.053 56.048 -0.331 0.000 0.946 50 H CB -0.070 29.475 29.762 -0.362 0.000 2.135 50 H HN 0.367 nan 8.280 nan 0.000 0.652 51 G N 1.441 110.069 108.800 -0.287 0.000 2.574 51 G HA2 -0.324 3.637 3.960 0.003 0.000 0.220 51 G HA3 -0.324 3.637 3.960 0.003 0.000 0.220 51 G C 1.323 176.084 174.900 -0.232 0.000 1.173 51 G CA 1.296 46.227 45.100 -0.280 0.000 0.772 51 G HN 0.288 nan 8.290 nan 0.000 0.585 52 D N 0.809 121.091 120.400 -0.196 0.000 2.092 52 D HA -0.100 4.542 4.640 0.003 0.000 0.193 52 D C 2.399 178.569 176.300 -0.216 0.000 0.994 52 D CA 0.993 54.881 54.000 -0.188 0.000 0.828 52 D CB -0.342 40.354 40.800 -0.174 0.000 0.963 52 D HN 0.190 nan 8.370 nan 0.000 0.450 53 N N 0.523 119.097 118.700 -0.209 0.000 2.244 53 N HA -0.034 4.708 4.740 0.003 0.000 0.183 53 N C 2.133 177.484 175.510 -0.264 0.000 1.016 53 N CA 0.244 53.163 53.050 -0.218 0.000 0.866 53 N CB -0.093 38.285 38.487 -0.181 0.000 0.980 53 N HN 0.290 nan 8.380 nan 0.000 0.430 54 I N 0.980 121.351 120.570 -0.331 0.000 2.179 54 I HA -0.228 3.943 4.170 0.003 0.000 0.242 54 I C 2.025 177.803 176.117 -0.565 0.000 1.088 54 I CA 0.903 61.886 61.300 -0.528 0.000 1.357 54 I CB -0.215 37.419 38.000 -0.610 0.000 1.051 54 I HN 0.055 nan 8.210 nan 0.000 0.409 55 L N 0.084 121.086 121.223 -0.368 0.000 2.131 55 L HA -0.195 4.147 4.340 0.003 0.000 0.210 55 L C 2.739 179.616 176.870 0.011 0.000 1.092 55 L CA 1.110 55.847 54.840 -0.172 0.000 0.759 55 L CB -0.501 41.494 42.059 -0.106 0.000 0.903 55 L HN 0.218 nan 8.230 nan 0.000 0.435 56 R N 0.309 120.741 120.500 -0.113 0.000 2.066 56 R HA -0.115 4.227 4.340 0.003 0.000 0.232 56 R C 2.345 178.681 176.300 0.061 0.000 1.131 56 R CA 1.162 57.152 56.100 -0.183 0.000 0.955 56 R CB -0.110 29.910 30.300 -0.466 0.000 0.851 56 R HN 0.280 nan 8.270 nan 0.000 0.432 57 L N -0.465 120.752 121.223 -0.010 0.000 2.046 57 L HA -0.212 4.130 4.340 0.003 0.000 0.208 57 L C 2.292 179.322 176.870 0.267 0.000 1.077 57 L CA 1.081 55.971 54.840 0.084 0.000 0.747 57 L CB -0.568 41.404 42.059 -0.145 0.000 0.896 57 L HN 0.234 nan 8.230 nan 0.000 0.432 58 Y N 0.536 120.836 120.300 -0.000 0.000 2.224 58 Y HA -0.139 4.413 4.550 0.003 0.000 0.289 58 Y C 2.556 178.555 175.900 0.164 0.000 1.146 58 Y CA 0.875 59.019 58.100 0.073 0.000 1.182 58 Y CB -1.403 37.084 38.460 0.046 0.000 0.983 58 Y HN 0.112 nan 8.280 nan 0.000 0.524 59 G N -0.407 108.666 108.800 0.455 0.000 2.418 59 G HA2 -0.219 3.742 3.960 0.003 0.000 0.217 59 G HA3 -0.219 3.742 3.960 0.003 0.000 0.217 59 G C 1.592 176.671 174.900 0.297 0.000 1.158 59 G CA 0.838 46.221 45.100 0.471 0.000 0.771 59 G HN 0.407 nan 8.290 nan 0.000 0.545 60 E N 0.570 121.007 120.200 0.395 0.000 2.077 60 E HA -0.045 4.306 4.350 0.003 0.000 0.193 60 E C 2.896 179.587 176.600 0.151 0.000 0.989 60 E CA 0.707 57.280 56.400 0.288 0.000 0.800 60 E CB -0.194 29.712 29.700 0.342 0.000 0.746 60 E HN 0.405 nan 8.360 nan 0.000 0.452 61 A N 1.301 124.227 122.820 0.177 0.000 2.070 61 A HA -0.161 4.161 4.320 0.003 0.000 0.220 61 A C 1.937 179.532 177.584 0.019 0.000 1.159 61 A CA 1.022 53.122 52.037 0.104 0.000 0.656 61 A CB -0.314 18.782 19.000 0.161 0.000 0.800 61 A HN 0.075 nan 8.150 nan 0.000 0.453 62 R N -1.681 118.828 120.500 0.014 0.000 2.299 62 R HA 0.171 4.512 4.340 0.003 0.000 0.197 62 R C 1.319 177.558 176.300 -0.102 0.000 0.971 62 R CA 0.549 56.620 56.100 -0.048 0.000 1.030 62 R CB -0.058 30.215 30.300 -0.045 0.000 0.932 62 R HN 0.671 nan 8.270 nan 0.000 0.477 63 G N 1.197 109.938 108.800 -0.098 0.000 2.143 63 G HA2 -0.247 3.714 3.960 0.003 0.000 0.249 63 G HA3 -0.247 3.714 3.960 0.003 0.000 0.249 63 G C 0.692 175.462 174.900 -0.216 0.000 0.981 63 G CA 0.107 45.126 45.100 -0.136 0.000 0.665 63 G HN 0.150 nan 8.290 nan 0.000 0.528 64 K N 0.598 120.802 120.400 -0.326 0.000 2.374 64 K HA 0.223 4.544 4.320 0.003 0.000 0.196 64 K C 2.382 178.543 176.600 -0.731 0.000 1.023 64 K CA 0.703 56.578 56.287 -0.688 0.000 1.103 64 K CB 0.010 31.752 32.500 -1.263 0.000 0.848 64 K HN 0.402 nan 8.250 nan 0.000 0.528 65 G N 1.710 110.341 108.800 -0.281 0.000 2.469 65 G HA2 -0.315 3.647 3.960 0.003 0.000 0.219 65 G HA3 -0.315 3.647 3.960 0.003 0.000 0.219 65 G C 1.579 176.451 174.900 -0.046 0.000 1.150 65 G CA 1.268 46.358 45.100 -0.017 0.000 0.763 65 G HN 0.373 nan 8.290 nan 0.000 0.561 66 A N 0.239 123.023 122.820 -0.060 0.000 1.929 66 A HA 0.093 4.415 4.320 0.003 0.000 0.216 66 A C 2.145 179.699 177.584 -0.050 0.000 1.176 66 A CA 1.833 53.883 52.037 0.021 0.000 0.628 66 A CB -0.338 18.676 19.000 0.023 0.000 0.816 66 A HN 0.481 nan 8.150 nan 0.000 0.444 67 E N -1.083 119.001 120.200 -0.193 0.000 2.072 67 E HA -0.178 4.173 4.350 0.003 0.000 0.191 67 E C 1.711 178.189 176.600 -0.204 0.000 0.985 67 E CA 1.189 57.472 56.400 -0.196 0.000 0.801 67 E CB -0.233 29.285 29.700 -0.304 0.000 0.750 67 E HN 0.825 nan 8.360 nan 0.000 0.452 68 Y N -1.832 118.111 120.300 -0.594 0.000 2.243 68 Y HA -0.115 4.437 4.550 0.003 0.000 0.293 68 Y C 1.384 176.635 175.900 -1.081 0.000 1.124 68 Y CA -0.020 57.442 58.100 -1.063 0.000 1.159 68 Y CB 0.234 37.474 38.460 -2.032 0.000 1.008 68 Y HN 0.231 nan 8.280 nan 0.000 0.527 69 W N 0.207 121.485 121.300 -0.037 0.000 2.499 69 W HA 0.460 5.122 4.660 0.003 0.000 0.362 69 W C 0.789 177.325 176.519 0.028 0.000 0.945 69 W CA 0.328 57.593 57.345 -0.134 0.000 1.721 69 W CB -0.334 28.776 29.460 -0.583 0.000 1.156 69 W HN 0.180 nan 8.180 nan 0.000 0.547 70 G N 1.905 110.808 108.800 0.171 0.000 2.645 70 G HA2 -0.319 3.642 3.960 0.003 0.000 0.246 70 G HA3 -0.319 3.642 3.960 0.003 0.000 0.246 70 G C -1.241 173.817 174.900 0.265 0.000 1.322 70 G CA -0.102 45.113 45.100 0.193 0.000 0.898 70 G HN -0.061 nan 8.290 nan 0.000 0.573 71 P HA -0.180 nan 4.420 nan 0.000 0.225 71 P C 1.159 178.545 177.300 0.145 0.000 1.154 71 P CA 2.283 65.476 63.100 0.155 0.000 0.933 71 P CB -0.150 31.619 31.700 0.115 0.000 0.790 72 D N -3.219 117.281 120.400 0.167 0.000 2.392 72 D HA -0.099 4.543 4.640 0.003 0.000 0.228 72 D C 0.909 177.104 176.300 -0.174 0.000 1.003 72 D CA 1.008 55.005 54.000 -0.004 0.000 0.917 72 D CB -0.328 40.436 40.800 -0.061 0.000 0.890 72 D HN 0.403 nan 8.370 nan 0.000 0.532 73 Y N -0.159 120.199 120.300 0.097 0.000 2.527 73 Y HA 0.161 4.713 4.550 0.003 0.000 0.247 73 Y C 2.012 177.937 175.900 0.042 0.000 1.138 73 Y CA -0.516 57.648 58.100 0.107 0.000 1.228 73 Y CB 0.437 39.035 38.460 0.231 0.000 1.252 73 Y HN -0.123 nan 8.280 nan 0.000 0.531 74 E N 0.832 121.115 120.200 0.137 0.000 2.051 74 E HA -0.270 4.081 4.350 0.003 0.000 0.192 74 E C 1.618 178.201 176.600 -0.029 0.000 0.991 74 E CA 1.740 58.154 56.400 0.024 0.000 0.799 74 E CB 0.122 29.868 29.700 0.078 0.000 0.748 74 E HN 0.539 nan 8.360 nan 0.000 0.449 75 Q N -0.426 119.377 119.800 0.005 0.000 2.077 75 Q HA -0.169 4.173 4.340 0.003 0.000 0.206 75 Q C 2.255 178.277 176.000 0.037 0.000 0.989 75 Q CA 2.264 58.072 55.803 0.009 0.000 0.853 75 Q CB -0.128 28.596 28.738 -0.025 0.000 0.907 75 Q HN 0.275 nan 8.270 nan 0.000 0.418 76 T N 0.023 114.596 114.554 0.033 0.000 2.788 76 T HA -0.136 4.216 4.350 0.003 0.000 0.268 76 T C 1.872 176.629 174.700 0.095 0.000 1.044 76 T CA 1.608 63.763 62.100 0.092 0.000 1.139 76 T CB -0.338 68.583 68.868 0.088 0.000 0.867 76 T HN 0.338 nan 8.240 nan 0.000 0.454 77 T N 1.769 116.317 114.554 -0.010 0.000 2.708 77 T HA -0.082 4.269 4.350 0.003 0.000 0.266 77 T C 2.161 176.756 174.700 -0.176 0.000 1.037 77 T CA 1.032 63.046 62.100 -0.143 0.000 1.146 77 T CB -0.498 68.177 68.868 -0.323 0.000 0.865 77 T HN 0.153 nan 8.240 nan 0.000 0.435 78 V N 0.864 120.682 119.914 -0.160 0.000 2.407 78 V HA -0.155 3.967 4.120 0.003 0.000 0.248 78 V C 2.016 178.190 176.094 0.133 0.000 1.055 78 V CA 1.415 63.684 62.300 -0.052 0.000 1.049 78 V CB -0.659 31.185 31.823 0.035 0.000 0.662 78 V HN 0.678 nan 8.190 nan 0.000 0.455 79 W N 0.452 121.748 121.300 -0.007 0.000 2.355 79 W HA -0.145 4.517 4.660 0.003 0.000 0.309 79 W C 2.018 178.510 176.519 -0.044 0.000 1.206 79 W CA 1.485 58.855 57.345 0.042 0.000 1.284 79 W CB -0.154 29.274 29.460 -0.052 0.000 1.145 79 W HN 0.232 nan 8.180 nan 0.000 0.502 80 L N 0.434 121.578 121.223 -0.131 0.000 2.156 80 L HA -0.206 4.135 4.340 0.003 0.000 0.208 80 L C 2.589 179.253 176.870 -0.344 0.000 1.095 80 L CA 0.678 55.301 54.840 -0.362 0.000 0.770 80 L CB -0.917 41.031 42.059 -0.185 0.000 0.914 80 L HN 0.018 nan 8.230 nan 0.000 0.439 81 L N -0.765 120.329 121.223 -0.216 0.000 2.044 81 L HA -0.132 4.210 4.340 0.003 0.000 0.205 81 L C 2.621 179.370 176.870 -0.201 0.000 1.075 81 L CA 1.302 56.032 54.840 -0.184 0.000 0.747 81 L CB -0.758 41.227 42.059 -0.123 0.000 0.903 81 L HN 0.199 nan 8.230 nan 0.000 0.435 82 T N -0.308 114.136 114.554 -0.183 0.000 2.803 82 T HA -0.143 4.208 4.350 0.003 0.000 0.269 82 T C 1.444 175.972 174.700 -0.288 0.000 1.052 82 T CA 1.141 63.101 62.100 -0.234 0.000 1.136 82 T CB -0.208 68.506 68.868 -0.257 0.000 0.864 82 T HN 0.269 nan 8.240 nan 0.000 0.467 83 N N 0.469 118.936 118.700 -0.388 0.000 2.314 83 N HA 0.131 4.873 4.740 0.003 0.000 0.200 83 N C 1.268 176.523 175.510 -0.426 0.000 1.135 83 N CA 0.379 53.144 53.050 -0.475 0.000 0.835 83 N CB 0.255 38.150 38.487 -0.986 0.000 0.989 83 N HN 0.496 nan 8.380 nan 0.000 0.478 84 G N 0.917 109.527 108.800 -0.316 0.000 2.361 84 G HA2 -0.295 3.667 3.960 0.003 0.000 0.294 84 G HA3 -0.295 3.667 3.960 0.003 0.000 0.294 84 G C 1.172 175.919 174.900 -0.255 0.000 1.004 84 G CA 0.670 45.630 45.100 -0.234 0.000 0.870 84 G HN 0.234 nan 8.290 nan 0.000 0.510 85 V N 1.361 121.053 119.914 -0.371 0.000 2.295 85 V HA -0.154 3.968 4.120 0.003 0.000 0.246 85 V C 1.151 177.146 176.094 -0.165 0.000 1.049 85 V CA 2.536 64.656 62.300 -0.300 0.000 1.024 85 V CB -0.924 30.599 31.823 -0.500 0.000 0.648 85 V HN 0.500 nan 8.190 nan 0.000 0.447 86 P HA -0.207 nan 4.420 nan 0.000 0.217 86 P C 1.570 178.806 177.300 -0.106 0.000 1.150 86 P CA 1.782 64.814 63.100 -0.113 0.000 0.832 86 P CB 0.127 31.764 31.700 -0.106 0.000 0.787 87 E N 0.286 120.417 120.200 -0.114 0.000 2.072 87 E HA -0.183 4.169 4.350 0.003 0.000 0.191 87 E C 2.434 178.968 176.600 -0.109 0.000 0.985 87 E CA 0.629 56.975 56.400 -0.090 0.000 0.801 87 E CB -0.281 29.372 29.700 -0.078 0.000 0.750 87 E HN -0.037 nan 8.360 nan 0.000 0.452 88 R N -0.076 120.309 120.500 -0.191 0.000 2.152 88 R HA -0.094 4.248 4.340 0.003 0.000 0.232 88 R C 2.050 178.097 176.300 -0.422 0.000 1.117 88 R CA 1.078 56.979 56.100 -0.332 0.000 0.981 88 R CB -0.196 29.787 30.300 -0.530 0.000 0.870 88 R HN 0.233 nan 8.270 nan 0.000 0.451 89 A N 0.417 123.064 122.820 -0.289 0.000 1.969 89 A HA -0.139 4.183 4.320 0.003 0.000 0.218 89 A C 1.934 179.551 177.584 0.055 0.000 1.169 89 A CA 0.903 52.859 52.037 -0.135 0.000 0.635 89 A CB -0.218 18.743 19.000 -0.064 0.000 0.810 89 A HN 0.310 nan 8.150 nan 0.000 0.445 90 Q N -0.255 119.562 119.800 0.029 0.000 2.079 90 Q HA -0.185 4.156 4.340 0.003 0.000 0.200 90 Q C 2.141 178.254 176.000 0.189 0.000 0.974 90 Q CA 1.787 57.659 55.803 0.114 0.000 0.840 90 Q CB -0.442 28.327 28.738 0.052 0.000 0.898 90 Q HN 0.832 nan 8.270 nan 0.000 0.430 91 Q N -0.757 119.118 119.800 0.126 0.000 1.993 91 Q HA -0.167 4.175 4.340 0.003 0.000 0.202 91 Q C 1.896 178.066 176.000 0.284 0.000 0.984 91 Q CA 1.413 57.318 55.803 0.169 0.000 0.837 91 Q CB -0.209 28.614 28.738 0.142 0.000 0.902 91 Q HN 0.352 nan 8.270 nan 0.000 0.423 92 W N -0.194 121.116 121.300 0.017 0.000 2.321 92 W HA -0.246 4.416 4.660 0.003 0.000 0.306 92 W C 2.218 178.771 176.519 0.057 0.000 1.217 92 W CA 1.056 58.409 57.345 0.012 0.000 1.257 92 W CB -1.264 28.184 29.460 -0.019 0.000 1.145 92 W HN 0.282 nan 8.180 nan 0.000 0.509 93 Y N 0.929 121.374 120.300 0.242 0.000 2.097 93 Y HA -0.242 4.310 4.550 0.003 0.000 0.282 93 Y C 2.424 178.391 175.900 0.111 0.000 1.152 93 Y CA 2.757 60.948 58.100 0.151 0.000 1.136 93 Y CB -1.097 37.424 38.460 0.101 0.000 0.975 93 Y HN -0.110 nan 8.280 nan 0.000 0.498 94 A N 0.156 122.959 122.820 -0.028 0.000 1.940 94 A HA -0.250 4.072 4.320 0.003 0.000 0.219 94 A C 2.001 179.521 177.584 -0.106 0.000 1.176 94 A CA 1.883 53.849 52.037 -0.118 0.000 0.631 94 A CB -0.778 18.246 19.000 0.041 0.000 0.814 94 A HN 0.715 nan 8.150 nan 0.000 0.446 95 Q N 0.021 119.806 119.800 -0.026 0.000 2.515 95 Q HA 0.006 4.348 4.340 0.003 0.000 0.212 95 Q C 0.142 176.101 176.000 -0.069 0.000 0.970 95 Q CA 0.022 55.803 55.803 -0.037 0.000 0.941 95 Q CB 0.050 28.779 28.738 -0.014 0.000 0.998 95 Q HN 0.596 nan 8.270 nan 0.000 0.518 96 Q N 0.823 120.568 119.800 -0.092 0.000 2.443 96 Q HA 0.083 4.425 4.340 0.003 0.000 0.232 96 Q C 0.244 176.216 176.000 -0.047 0.000 1.026 96 Q CA 0.082 55.854 55.803 -0.052 0.000 0.924 96 Q CB 0.809 29.527 28.738 -0.033 0.000 1.256 96 Q HN 0.235 nan 8.270 nan 0.000 0.519 97 S N 0.177 115.877 115.700 0.001 0.000 2.580 97 S HA 0.180 4.651 4.470 0.003 0.000 0.274 97 S C -1.877 172.729 174.600 0.010 0.000 1.329 97 S CA -1.104 57.097 58.200 0.003 0.000 1.036 97 S CB 0.919 64.132 63.200 0.021 0.000 0.919 97 S HN 0.273 nan 8.310 nan 0.000 0.515 98 P HA -0.134 nan 4.420 nan 0.000 0.216 98 P C 0.789 178.093 177.300 0.006 0.000 1.154 98 P CA 1.389 64.484 63.100 -0.010 0.000 0.865 98 P CB -0.025 31.674 31.700 -0.001 0.000 0.789 99 D N -1.873 118.548 120.400 0.036 0.000 2.087 99 D HA -0.181 4.461 4.640 0.003 0.000 0.192 99 D C 1.618 177.929 176.300 0.018 0.000 0.993 99 D CA 1.132 55.161 54.000 0.049 0.000 0.828 99 D CB -0.908 39.947 40.800 0.091 0.000 0.968 99 D HN 0.018 nan 8.370 nan 0.000 0.448 100 F N 1.020 120.901 119.950 -0.116 0.000 2.171 100 F HA -0.037 4.492 4.527 0.003 0.000 0.300 100 F C 2.351 178.034 175.800 -0.195 0.000 1.090 100 F CA 1.123 59.000 58.000 -0.206 0.000 1.293 100 F CB -0.119 38.789 39.000 -0.153 0.000 1.013 100 F HN -0.187 nan 8.300 nan 0.000 0.486 101 R N 0.083 120.534 120.500 -0.082 0.000 2.159 101 R HA -0.147 4.195 4.340 0.003 0.000 0.237 101 R C 2.214 178.445 176.300 -0.116 0.000 1.131 101 R CA 1.159 57.180 56.100 -0.131 0.000 0.982 101 R CB -0.418 29.777 30.300 -0.175 0.000 0.868 101 R HN 0.331 nan 8.270 nan 0.000 0.453 102 A N 0.905 123.652 122.820 -0.122 0.000 1.897 102 A HA -0.129 4.193 4.320 0.003 0.000 0.215 102 A C 1.687 179.173 177.584 -0.165 0.000 1.181 102 A CA 1.327 53.332 52.037 -0.053 0.000 0.620 102 A CB -0.422 18.574 19.000 -0.006 0.000 0.821 102 A HN 0.368 nan 8.150 nan 0.000 0.443 103 N N 0.388 118.798 118.700 -0.484 0.000 2.120 103 N HA -0.099 4.643 4.740 0.003 0.000 0.188 103 N C 1.657 176.791 175.510 -0.626 0.000 1.024 103 N CA 1.360 53.868 53.050 -0.903 0.000 0.852 103 N CB -0.524 36.769 38.487 -1.991 0.000 1.003 103 N HN 0.503 nan 8.380 nan 0.000 0.424 104 L N 0.985 121.875 121.223 -0.554 0.000 2.046 104 L HA -0.149 4.192 4.340 0.003 0.000 0.208 104 L C 1.670 178.593 176.870 0.089 0.000 1.077 104 L CA 1.056 55.788 54.840 -0.180 0.000 0.747 104 L CB -0.363 41.635 42.059 -0.101 0.000 0.896 104 L HN 0.061 nan 8.230 nan 0.000 0.432 105 D N 0.232 120.692 120.400 0.100 0.000 2.144 105 D HA -0.151 4.490 4.640 0.003 0.000 0.199 105 D C 2.220 178.651 176.300 0.218 0.000 0.984 105 D CA 1.466 55.581 54.000 0.192 0.000 0.834 105 D CB 0.028 40.962 40.800 0.222 0.000 0.955 105 D HN 0.329 nan 8.370 nan 0.000 0.465 106 A N 0.895 123.798 122.820 0.139 0.000 1.858 106 A HA -0.196 4.126 4.320 0.003 0.000 0.216 106 A C 2.127 179.801 177.584 0.150 0.000 1.190 106 A CA 1.101 53.118 52.037 -0.033 0.000 0.617 106 A CB -1.150 17.679 19.000 -0.286 0.000 0.827 106 A HN 0.208 nan 8.150 nan 0.000 0.443 107 F N 1.035 121.034 119.950 0.083 0.000 2.063 107 F HA -0.246 4.283 4.527 0.003 0.000 0.298 107 F C 2.581 178.420 175.800 0.066 0.000 1.109 107 F CA 1.687 59.751 58.000 0.106 0.000 1.212 107 F CB -0.532 38.572 39.000 0.174 0.000 0.973 107 F HN 0.253 nan 8.300 nan 0.000 0.480 108 A N -0.005 122.961 122.820 0.244 0.000 1.933 108 A HA -0.057 4.265 4.320 0.003 0.000 0.218 108 A C 2.368 180.001 177.584 0.082 0.000 1.175 108 A CA 1.795 53.917 52.037 0.141 0.000 0.628 108 A CB -1.540 17.566 19.000 0.177 0.000 0.814 108 A HN 0.530 nan 8.150 nan 0.000 0.444 109 A N -0.483 122.445 122.820 0.179 0.000 1.930 109 A HA 0.170 4.492 4.320 0.003 0.000 0.217 109 A C 2.382 180.074 177.584 0.180 0.000 1.175 109 A CA 1.791 54.008 52.037 0.300 0.000 0.627 109 A CB -1.311 18.035 19.000 0.577 0.000 0.815 109 A HN 0.686 nan 8.150 nan 0.000 0.443 110 G N 0.304 109.016 108.800 -0.146 0.000 2.459 110 G HA2 -0.226 3.736 3.960 0.003 0.000 0.217 110 G HA3 -0.226 3.736 3.960 0.003 0.000 0.217 110 G C 1.536 176.234 174.900 -0.337 0.000 1.183 110 G CA 1.186 45.868 45.100 -0.697 0.000 0.776 110 G HN 0.466 nan 8.290 nan 0.000 0.552 111 I N 1.060 121.423 120.570 -0.345 0.000 2.127 111 I HA -0.226 3.946 4.170 0.003 0.000 0.241 111 I C 2.644 178.670 176.117 -0.150 0.000 1.075 111 I CA 1.112 62.230 61.300 -0.303 0.000 1.334 111 I CB -0.310 37.501 38.000 -0.314 0.000 1.040 111 I HN 0.107 nan 8.210 nan 0.000 0.405 112 N N 1.219 119.885 118.700 -0.057 0.000 2.043 112 N HA -0.189 4.553 4.740 0.003 0.000 0.193 112 N C 1.929 177.448 175.510 0.015 0.000 1.037 112 N CA 1.808 54.859 53.050 0.002 0.000 0.851 112 N CB -0.551 37.978 38.487 0.070 0.000 1.027 112 N HN 0.391 nan 8.380 nan 0.000 0.422 113 A N 0.847 123.729 122.820 0.104 0.000 1.873 113 A HA -0.237 4.085 4.320 0.003 0.000 0.218 113 A C 2.206 179.789 177.584 -0.002 0.000 1.193 113 A CA 1.616 53.789 52.037 0.228 0.000 0.629 113 A CB -1.308 18.015 19.000 0.538 0.000 0.826 113 A HN 0.449 nan 8.150 nan 0.000 0.447 114 Y N 0.658 120.654 120.300 -0.507 0.000 2.151 114 Y HA -0.183 4.369 4.550 0.003 0.000 0.284 114 Y C 2.601 178.137 175.900 -0.607 0.000 1.166 114 Y CA 1.648 58.993 58.100 -1.257 0.000 1.163 114 Y CB -0.518 37.054 38.460 -1.479 0.000 0.974 114 Y HN 0.307 nan 8.280 nan 0.000 0.511 115 A N -0.373 122.222 122.820 -0.375 0.000 2.015 115 A HA -0.196 4.125 4.320 0.003 0.000 0.219 115 A C 2.102 179.530 177.584 -0.260 0.000 1.163 115 A CA 1.625 53.481 52.037 -0.301 0.000 0.646 115 A CB -0.722 18.197 19.000 -0.135 0.000 0.806 115 A HN 0.572 nan 8.150 nan 0.000 0.448 116 Q N -0.264 119.431 119.800 -0.175 0.000 2.046 116 Q HA -0.185 4.157 4.340 0.003 0.000 0.200 116 Q C 2.063 178.002 176.000 -0.101 0.000 0.975 116 Q CA 2.243 57.996 55.803 -0.084 0.000 0.836 116 Q CB -0.345 28.401 28.738 0.013 0.000 0.896 116 Q HN 0.638 nan 8.270 nan 0.000 0.428 117 Q N -0.263 119.459 119.800 -0.131 0.000 2.432 117 Q HA 0.085 4.426 4.340 0.003 0.000 0.205 117 Q C -0.416 175.454 176.000 -0.216 0.000 0.945 117 Q CA 0.735 56.490 55.803 -0.081 0.000 0.924 117 Q CB 0.430 29.245 28.738 0.129 0.000 1.016 117 Q HN 0.302 nan 8.270 nan 0.000 0.503 118 N N 0.457 118.900 118.700 -0.429 0.000 2.664 118 N HA 0.142 4.883 4.740 0.003 0.000 0.287 118 N C -2.433 172.865 175.510 -0.353 0.000 1.869 118 N CA -0.747 52.033 53.050 -0.451 0.000 0.832 118 N CB 1.513 39.509 38.487 -0.819 0.000 1.293 118 N HN 0.208 nan 8.380 nan 0.000 0.498 119 P HA -0.157 nan 4.420 nan 0.000 0.219 119 P C 0.799 178.023 177.300 -0.128 0.000 1.146 119 P CA 1.334 64.339 63.100 -0.158 0.000 0.808 119 P CB 0.293 31.927 31.700 -0.110 0.000 0.779 120 D N -0.237 120.091 120.400 -0.121 0.000 2.224 120 D HA -0.151 4.491 4.640 0.003 0.000 0.205 120 D C 1.179 177.426 176.300 -0.088 0.000 0.965 120 D CA 0.780 54.725 54.000 -0.091 0.000 0.852 120 D CB -1.046 39.708 40.800 -0.077 0.000 0.947 120 D HN 0.102 nan 8.370 nan 0.000 0.494 121 D N 0.074 120.409 120.400 -0.107 0.000 2.363 121 D HA 0.036 4.678 4.640 0.003 0.000 0.226 121 D C 0.290 176.557 176.300 -0.056 0.000 1.020 121 D CA 0.144 54.106 54.000 -0.064 0.000 0.892 121 D CB 0.553 41.349 40.800 -0.007 0.000 0.900 121 D HN 0.266 nan 8.370 nan 0.000 0.531 122 I N 0.985 121.508 120.570 -0.079 0.000 2.330 122 I HA 0.063 4.235 4.170 0.003 0.000 0.289 122 I C 0.762 176.834 176.117 -0.076 0.000 1.001 122 I CA -0.794 60.459 61.300 -0.077 0.000 1.193 122 I CB 1.022 38.971 38.000 -0.085 0.000 1.345 122 I HN -0.270 nan 8.210 nan 0.000 0.461 123 S N 8.217 123.868 115.700 -0.082 0.000 2.558 123 S HA 0.064 4.535 4.470 0.003 0.000 0.293 123 S C -1.258 173.307 174.600 -0.059 0.000 1.292 123 S CA -0.502 57.653 58.200 -0.076 0.000 1.063 123 S CB 0.627 63.770 63.200 -0.095 0.000 0.831 123 S HN 0.404 nan 8.310 nan 0.000 0.499 124 P HA -0.128 nan 4.420 nan 0.000 0.215 124 P C 1.054 178.347 177.300 -0.012 0.000 1.157 124 P CA 1.194 64.273 63.100 -0.034 0.000 0.874 124 P CB 0.084 31.767 31.700 -0.028 0.000 0.790 125 E N -0.581 119.626 120.200 0.012 0.000 2.401 125 E HA -0.092 4.259 4.350 0.003 0.000 0.199 125 E C 1.110 177.838 176.600 0.213 0.000 1.023 125 E CA 0.736 57.196 56.400 0.100 0.000 0.859 125 E CB -0.073 29.685 29.700 0.097 0.000 0.780 125 E HN 0.151 nan 8.360 nan 0.000 0.523 126 V N -3.448 116.517 119.914 0.085 0.000 3.528 126 V HA 0.217 4.338 4.120 0.003 0.000 0.294 126 V C 1.563 177.646 176.094 -0.017 0.000 1.404 126 V CA -0.137 62.229 62.300 0.110 0.000 1.065 126 V CB 0.138 31.972 31.823 0.018 0.000 0.904 126 V HN 0.036 nan 8.190 nan 0.000 0.435 127 R N 1.979 122.447 120.500 -0.054 0.000 2.120 127 R HA -0.151 4.191 4.340 0.003 0.000 0.234 127 R C 2.356 178.576 176.300 -0.133 0.000 1.123 127 R CA 1.901 57.950 56.100 -0.084 0.000 0.975 127 R CB -0.338 29.918 30.300 -0.073 0.000 0.866 127 R HN 0.859 nan 8.270 nan 0.000 0.446 128 Q N 0.448 120.121 119.800 -0.211 0.000 2.439 128 Q HA -0.074 4.268 4.340 0.003 0.000 0.211 128 Q C 1.544 177.281 176.000 -0.439 0.000 0.978 128 Q CA 1.216 56.817 55.803 -0.335 0.000 0.897 128 Q CB -0.022 28.431 28.738 -0.474 0.000 0.956 128 Q HN 0.167 nan 8.270 nan 0.000 0.483 129 V N 1.119 120.816 119.914 -0.362 0.000 2.591 129 V HA -0.045 4.077 4.120 0.003 0.000 0.249 129 V C 1.416 177.482 176.094 -0.047 0.000 1.053 129 V CA 0.667 62.847 62.300 -0.199 0.000 1.068 129 V CB -0.323 31.499 31.823 -0.002 0.000 0.689 129 V HN 0.271 nan 8.190 nan 0.000 0.462 130 L N 2.226 123.414 121.223 -0.058 0.000 2.439 130 L HA 0.255 4.596 4.340 0.003 0.000 0.269 130 L C -1.648 175.212 176.870 -0.018 0.000 1.179 130 L CA -1.200 53.626 54.840 -0.023 0.000 0.828 130 L CB 0.066 42.102 42.059 -0.038 0.000 1.106 130 L HN 0.161 nan 8.230 nan 0.000 0.467 131 P HA 0.282 nan 4.420 nan 0.000 0.282 131 P C -1.034 176.294 177.300 0.047 0.000 1.259 131 P CA -0.427 62.688 63.100 0.025 0.000 0.826 131 P CB 1.748 33.467 31.700 0.032 0.000 1.064 132 V N -1.151 118.805 119.914 0.070 0.000 2.834 132 V HA 0.819 4.940 4.120 0.003 0.000 0.313 132 V C 0.084 176.219 176.094 0.069 0.000 1.060 132 V CA -0.617 61.745 62.300 0.103 0.000 0.989 132 V CB 1.105 33.064 31.823 0.228 0.000 1.041 132 V HN 0.835 nan 8.190 nan 0.000 0.459 133 S N 1.241 116.951 115.700 0.017 0.000 2.709 133 S HA 0.698 5.169 4.470 0.003 0.000 0.302 133 S C 1.075 175.622 174.600 -0.088 0.000 1.127 133 S CA -0.134 58.041 58.200 -0.042 0.000 0.905 133 S CB 1.140 64.262 63.200 -0.129 0.000 1.151 133 S HN 1.563 nan 8.310 nan 0.000 0.510 134 G N 0.517 109.239 108.800 -0.130 0.000 2.469 134 G HA2 -0.047 3.915 3.960 0.003 0.000 0.220 134 G HA3 -0.047 3.915 3.960 0.003 0.000 0.220 134 G C 1.450 176.210 174.900 -0.232 0.000 1.136 134 G CA 0.992 46.048 45.100 -0.073 0.000 0.759 134 G HN 1.175 nan 8.290 nan 0.000 0.562 135 A N 1.075 123.520 122.820 -0.624 0.000 1.902 135 A HA -0.067 4.255 4.320 0.003 0.000 0.217 135 A C 2.101 179.573 177.584 -0.186 0.000 1.181 135 A CA 1.994 53.785 52.037 -0.410 0.000 0.623 135 A CB -0.419 18.309 19.000 -0.453 0.000 0.818 135 A HN 0.294 nan 8.150 nan 0.000 0.443 136 D N -0.103 120.162 120.400 -0.224 0.000 2.123 136 D HA -0.127 4.515 4.640 0.003 0.000 0.196 136 D C 2.108 178.086 176.300 -0.537 0.000 0.992 136 D CA 1.603 55.414 54.000 -0.315 0.000 0.833 136 D CB -0.369 40.259 40.800 -0.286 0.000 0.954 136 D HN 0.253 nan 8.370 nan 0.000 0.455 137 V N 0.920 120.601 119.914 -0.388 0.000 2.261 137 V HA -0.213 3.908 4.120 0.003 0.000 0.246 137 V C 2.756 178.842 176.094 -0.014 0.000 1.047 137 V CA 1.076 63.243 62.300 -0.223 0.000 1.015 137 V CB -0.606 31.258 31.823 0.069 0.000 0.642 137 V HN 0.043 nan 8.190 nan 0.000 0.446 138 V N 0.317 120.274 119.914 0.070 0.000 2.332 138 V HA -0.296 3.826 4.120 0.003 0.000 0.248 138 V C 2.724 178.921 176.094 0.172 0.000 1.055 138 V CA 2.113 64.534 62.300 0.202 0.000 1.038 138 V CB -1.164 30.835 31.823 0.293 0.000 0.651 138 V HN 0.571 nan 8.190 nan 0.000 0.450 139 A N -0.482 122.373 122.820 0.059 0.000 1.883 139 A HA -0.323 3.999 4.320 0.003 0.000 0.217 139 A C 2.122 179.765 177.584 0.098 0.000 1.186 139 A CA 2.446 54.514 52.037 0.052 0.000 0.624 139 A CB -0.891 18.097 19.000 -0.020 0.000 0.822 139 A HN 0.740 nan 8.150 nan 0.000 0.444 140 H N 0.111 119.171 119.070 -0.016 0.000 2.290 140 H HA -0.014 4.544 4.556 0.003 0.000 0.298 140 H C 2.190 177.605 175.328 0.144 0.000 1.087 140 H CA 2.213 58.305 56.048 0.074 0.000 1.291 140 H CB -0.479 29.371 29.762 0.146 0.000 1.369 140 H HN 0.371 nan 8.280 nan 0.000 0.492 141 A N -0.268 122.571 122.820 0.032 0.000 1.940 141 A HA -0.259 4.063 4.320 0.003 0.000 0.219 141 A C 2.317 180.009 177.584 0.180 0.000 1.176 141 A CA 2.084 54.166 52.037 0.074 0.000 0.631 141 A CB -1.084 18.047 19.000 0.219 0.000 0.814 141 A HN 0.749 nan 8.150 nan 0.000 0.446 142 H N -0.168 118.981 119.070 0.131 0.000 2.353 142 H HA -0.082 4.476 4.556 0.003 0.000 0.300 142 H C 2.157 177.565 175.328 0.132 0.000 1.090 142 H CA 2.003 58.134 56.048 0.138 0.000 1.327 142 H CB -0.266 29.414 29.762 -0.136 0.000 1.383 142 H HN 0.446 nan 8.280 nan 0.000 0.508 143 R N -0.223 120.226 120.500 -0.085 0.000 2.070 143 R HA -0.123 4.219 4.340 0.003 0.000 0.233 143 R C 2.251 178.513 176.300 -0.063 0.000 1.137 143 R CA 1.599 57.639 56.100 -0.101 0.000 0.945 143 R CB -0.529 29.728 30.300 -0.072 0.000 0.845 143 R HN 0.406 nan 8.270 nan 0.000 0.430 144 L N 1.006 122.141 121.223 -0.146 0.000 1.955 144 L HA -0.232 4.110 4.340 0.003 0.000 0.213 144 L C 2.339 179.320 176.870 0.185 0.000 1.072 144 L CA 1.945 56.729 54.840 -0.093 0.000 0.755 144 L CB -0.572 41.417 42.059 -0.118 0.000 0.888 144 L HN 0.211 nan 8.230 nan 0.000 0.432 145 M N -0.218 119.528 119.600 0.243 0.000 2.065 145 M HA -0.194 4.288 4.480 0.003 0.000 0.259 145 M C 2.112 178.480 176.300 0.115 0.000 1.071 145 M CA 1.812 57.267 55.300 0.258 0.000 1.109 145 M CB -1.775 30.977 32.600 0.254 0.000 1.313 145 M HN 0.416 nan 8.290 nan 0.000 0.408 146 N N -0.720 118.002 118.700 0.038 0.000 2.290 146 N HA -0.016 4.726 4.740 0.003 0.000 0.179 146 N C 0.839 176.025 175.510 -0.539 0.000 1.016 146 N CA 0.999 53.906 53.050 -0.239 0.000 0.871 146 N CB 0.032 38.376 38.487 -0.238 0.000 0.987 146 N HN 0.296 nan 8.380 nan 0.000 0.431 147 F N 0.174 120.093 119.950 -0.051 0.000 2.791 147 F HA 0.405 4.933 4.527 0.003 0.000 0.308 147 F C 1.408 177.275 175.800 0.112 0.000 1.138 147 F CA -0.113 57.942 58.000 0.093 0.000 1.294 147 F CB 0.386 39.409 39.000 0.039 0.000 0.975 147 F HN -0.123 nan 8.300 nan 0.000 0.512 148 L N -2.650 118.616 121.223 0.072 0.000 2.511 148 L HA 0.080 4.422 4.340 0.003 0.000 0.173 148 L C 1.498 178.350 176.870 -0.029 0.000 1.160 148 L CA 0.268 55.053 54.840 -0.092 0.000 0.964 148 L CB -0.155 41.686 42.059 -0.364 0.000 1.892 148 L HN -0.009 nan 8.230 nan 0.000 0.497 149 Y N 0.100 120.417 120.300 0.030 0.000 2.092 149 Y HA -0.205 4.347 4.550 0.003 0.000 0.282 149 Y C 2.425 178.293 175.900 -0.053 0.000 1.126 149 Y CA 1.821 59.943 58.100 0.037 0.000 1.111 149 Y CB -0.134 38.324 38.460 -0.002 0.000 0.987 149 Y HN -0.141 nan 8.280 nan 0.000 0.489 150 V N -0.551 119.405 119.914 0.069 0.000 2.283 150 V HA -0.089 4.033 4.120 0.003 0.000 0.243 150 V C 0.757 176.835 176.094 -0.028 0.000 1.039 150 V CA 1.318 63.594 62.300 -0.040 0.000 1.016 150 V CB -0.833 30.921 31.823 -0.116 0.000 0.650 150 V HN 0.315 nan 8.190 nan 0.000 0.449 151 A N 0.710 123.503 122.820 -0.046 0.000 2.360 151 A HA 0.631 4.953 4.320 0.003 0.000 0.309 151 A C 0.118 177.818 177.584 0.193 0.000 1.311 151 A CA -0.170 51.901 52.037 0.057 0.000 0.805 151 A CB 0.721 19.722 19.000 0.001 0.000 1.144 151 A HN 0.410 nan 8.150 nan 0.000 0.486 152 S N 2.867 118.594 115.700 0.045 0.000 2.616 152 S HA 0.594 5.066 4.470 0.003 0.000 0.277 152 S C -1.614 172.682 174.600 -0.506 0.000 1.234 152 S CA -1.181 56.936 58.200 -0.138 0.000 1.028 152 S CB 1.248 64.365 63.200 -0.139 0.000 0.988 152 S HN 0.437 nan 8.310 nan 0.000 0.522 153 P HA 0.005 nan 4.420 nan 0.000 0.222 153 P C 1.524 178.346 177.300 -0.797 0.000 1.147 153 P CA 1.338 63.364 63.100 -1.791 0.000 0.790 153 P CB -0.485 30.063 31.700 -1.920 0.000 0.780 154 G N 1.009 109.515 108.800 -0.490 0.000 2.453 154 G HA2 -0.223 3.739 3.960 0.003 0.000 0.215 154 G HA3 -0.223 3.739 3.960 0.003 0.000 0.215 154 G C 1.852 176.625 174.900 -0.211 0.000 1.201 154 G CA 0.446 45.377 45.100 -0.282 0.000 0.784 154 G HN 0.186 nan 8.290 nan 0.000 0.545 155 R N -0.307 120.089 120.500 -0.173 0.000 2.094 155 R HA -0.086 4.255 4.340 0.003 0.000 0.239 155 R C 2.880 179.124 176.300 -0.092 0.000 1.137 155 R CA 1.911 57.952 56.100 -0.099 0.000 0.943 155 R CB -0.889 29.378 30.300 -0.053 0.000 0.850 155 R HN 0.311 nan 8.270 nan 0.000 0.433 156 T N 1.574 116.057 114.554 -0.118 0.000 2.746 156 T HA -0.061 4.291 4.350 0.003 0.000 0.267 156 T C 1.741 176.384 174.700 -0.095 0.000 1.039 156 T CA 0.969 63.032 62.100 -0.061 0.000 1.142 156 T CB -0.061 68.817 68.868 0.017 0.000 0.866 156 T HN 0.156 nan 8.240 nan 0.000 0.444 157 L N 0.527 121.635 121.223 -0.191 0.000 2.552 157 L HA 0.198 4.540 4.340 0.003 0.000 0.227 157 L C 1.655 178.482 176.870 -0.071 0.000 1.146 157 L CA 0.239 55.005 54.840 -0.124 0.000 0.858 157 L CB -0.743 41.209 42.059 -0.177 0.000 0.969 157 L HN 0.482 nan 8.230 nan 0.000 0.451 158 G N 0.929 109.684 108.800 -0.075 0.000 2.298 158 G HA2 -0.263 3.699 3.960 0.003 0.000 0.287 158 G HA3 -0.263 3.699 3.960 0.003 0.000 0.287 158 G C 0.415 175.282 174.900 -0.054 0.000 1.075 158 G CA 0.672 45.741 45.100 -0.051 0.000 0.960 158 G HN 0.534 nan 8.290 nan 0.000 0.502 159 E N -1.393 118.761 120.200 -0.076 0.000 2.538 159 E HA 0.509 4.861 4.350 0.003 0.000 0.188 159 E C 1.713 178.274 176.600 -0.065 0.000 1.014 159 E CA 0.350 56.708 56.400 -0.070 0.000 1.140 159 E CB 0.523 30.169 29.700 -0.090 0.000 1.262 159 E HN 1.084 nan 8.360 nan 0.000 0.488 160 G N 0.754 109.506 108.800 -0.081 0.000 2.060 160 G HA2 0.038 4.000 3.960 0.003 0.000 0.060 160 G HA3 0.038 4.000 3.960 0.003 0.000 0.060 160 G C -1.517 173.341 174.900 -0.071 0.000 0.724 160 G CA 0.053 45.114 45.100 -0.064 0.000 1.129 160 G HN 0.246 nan 8.290 nan 0.000 0.374 161 D N 0.185 120.553 120.400 -0.054 0.000 2.527 161 D HA 0.164 4.806 4.640 0.003 0.000 0.191 161 D C -3.165 173.129 176.300 -0.009 0.000 0.915 161 D CA -0.474 53.501 54.000 -0.041 0.000 0.963 161 D CB 0.586 41.369 40.800 -0.027 0.000 4.192 161 D HN 0.226 nan 8.370 nan 0.000 0.471 162 P HA 0.252 nan 4.420 nan 0.000 0.261 162 P C -2.368 174.972 177.300 0.067 0.000 1.203 162 P CA -0.170 62.942 63.100 0.019 0.000 0.767 162 P CB 0.010 31.714 31.700 0.006 0.000 0.785 163 P HA -0.228 nan 4.420 nan 0.000 0.122 163 P C -0.114 177.274 177.300 0.146 0.000 0.858 163 P CA 1.300 64.474 63.100 0.124 0.000 1.002 163 P CB -0.387 31.420 31.700 0.177 0.000 1.539 164 D N 0.790 121.219 120.400 0.049 0.000 2.738 164 D HA -0.009 4.633 4.640 0.003 0.000 0.345 164 D C 0.962 177.256 176.300 -0.010 0.000 1.465 164 D CA -0.318 53.687 54.000 0.009 0.000 0.935 164 D CB -0.305 40.557 40.800 0.104 0.000 1.543 164 D HN 0.095 nan 8.370 nan 0.000 0.399 165 L N 1.619 122.836 121.223 -0.010 0.000 1.978 165 L HA -0.096 4.246 4.340 0.003 0.000 0.235 165 L C 1.605 178.473 176.870 -0.003 0.000 1.094 165 L CA 3.134 57.971 54.840 -0.005 0.000 0.814 165 L CB -0.689 41.365 42.059 -0.009 0.000 0.911 165 L HN 0.074 nan 8.230 nan 0.000 0.442 166 A N -1.652 121.160 122.820 -0.014 0.000 2.456 166 A HA 0.213 4.535 4.320 0.003 0.000 0.237 166 A C 0.600 178.167 177.584 -0.027 0.000 1.217 166 A CA 0.380 52.418 52.037 0.001 0.000 0.962 166 A CB -0.530 18.483 19.000 0.023 0.000 1.079 166 A HN 0.674 nan 8.150 nan 0.000 0.536 167 D N -0.117 120.222 120.400 -0.102 0.000 3.032 167 D HA 0.080 4.721 4.640 0.003 0.000 0.241 167 D C 0.263 176.369 176.300 -0.324 0.000 1.196 167 D CA 0.100 53.951 54.000 -0.249 0.000 0.927 167 D CB -0.132 40.404 40.800 -0.440 0.000 1.129 167 D HN 0.440 nan 8.370 nan 0.000 0.458 168 Q N 0.079 119.806 119.800 -0.122 0.000 2.139 168 Q HA 0.299 4.641 4.340 0.003 0.000 0.301 168 Q C 0.011 176.017 176.000 0.011 0.000 0.874 168 Q CA -0.527 55.232 55.803 -0.073 0.000 1.116 168 Q CB 0.395 29.132 28.738 -0.001 0.000 1.278 168 Q HN 0.380 nan 8.270 nan 0.000 0.426 169 G N 0.140 108.948 108.800 0.014 0.000 2.532 169 G HA2 0.838 4.800 3.960 0.003 0.000 0.291 169 G HA3 0.838 4.800 3.960 0.003 0.000 0.291 169 G C -0.815 174.051 174.900 -0.057 0.000 1.349 169 G CA 0.122 45.238 45.100 0.027 0.000 1.038 169 G HN 0.379 nan 8.290 nan 0.000 0.518 170 A N -0.932 121.772 122.820 -0.193 0.000 2.515 170 A HA 0.659 4.981 4.320 0.003 0.000 0.292 170 A C -1.344 175.975 177.584 -0.441 0.000 1.065 170 A CA -0.795 50.911 52.037 -0.551 0.000 0.641 170 A CB 0.971 19.815 19.000 -0.261 0.000 1.306 170 A HN 0.588 nan 8.150 nan 0.000 0.441 171 N N 0.070 118.436 118.700 -0.557 0.000 2.328 171 N HA 0.847 5.588 4.740 0.003 0.000 0.299 171 N C -1.093 174.276 175.510 -0.235 0.000 1.179 171 N CA 0.149 52.956 53.050 -0.405 0.000 0.793 171 N CB 1.914 39.946 38.487 -0.758 0.000 1.366 171 N HN 1.168 nan 8.380 nan 0.000 0.493 172 S N -0.412 115.218 115.700 -0.116 0.000 2.584 172 S HA 0.613 5.085 4.470 0.003 0.000 0.280 172 S C -1.964 172.816 174.600 0.300 0.000 1.162 172 S CA -0.981 57.261 58.200 0.070 0.000 0.951 172 S CB 0.986 64.290 63.200 0.174 0.000 1.108 172 S HN 0.457 nan 8.310 nan 0.000 0.464 173 W N 0.941 122.404 121.300 0.272 0.000 3.032 173 W HA 0.832 5.493 4.660 0.003 0.000 0.335 173 W C -0.573 176.143 176.519 0.327 0.000 1.154 173 W CA -1.197 56.342 57.345 0.324 0.000 1.204 173 W CB 2.201 31.873 29.460 0.353 0.000 1.416 173 W HN 1.177 nan 8.180 nan 0.000 0.521 174 A N 1.962 125.094 122.820 0.521 0.000 2.402 174 A HA 0.734 5.056 4.320 0.003 0.000 0.291 174 A C -1.780 175.948 177.584 0.240 0.000 1.051 174 A CA -0.539 51.685 52.037 0.312 0.000 0.716 174 A CB 1.270 20.416 19.000 0.244 0.000 1.223 174 A HN 0.269 nan 8.150 nan 0.000 0.425 175 V N 2.161 122.133 119.914 0.096 0.000 2.459 175 V HA 0.674 4.796 4.120 0.003 0.000 0.295 175 V C 0.826 176.919 176.094 -0.001 0.000 1.029 175 V CA -0.268 62.054 62.300 0.037 0.000 0.874 175 V CB 1.470 33.217 31.823 -0.126 0.000 0.985 175 V HN 1.272 nan 8.190 nan 0.000 0.438 176 A N 6.343 129.178 122.820 0.026 0.000 2.386 176 A HA 0.530 4.851 4.320 0.003 0.000 0.248 176 A C -1.409 176.160 177.584 -0.025 0.000 1.082 176 A CA -1.070 50.963 52.037 -0.006 0.000 0.789 176 A CB 0.100 19.102 19.000 0.002 0.000 1.025 176 A HN 0.707 nan 8.150 nan 0.000 0.490 177 P HA -0.166 nan 4.420 nan 0.000 0.216 177 P C 1.608 178.890 177.300 -0.030 0.000 1.150 177 P CA 2.020 65.100 63.100 -0.033 0.000 0.843 177 P CB 0.100 31.784 31.700 -0.026 0.000 0.787 178 G N -0.392 108.395 108.800 -0.022 0.000 2.470 178 G HA2 -0.257 3.705 3.960 0.003 0.000 0.220 178 G HA3 -0.257 3.705 3.960 0.003 0.000 0.220 178 G C 1.469 176.357 174.900 -0.020 0.000 1.121 178 G CA 0.512 45.602 45.100 -0.018 0.000 0.766 178 G HN 0.306 nan 8.290 nan 0.000 0.553 179 K N 0.517 120.904 120.400 -0.021 0.000 2.404 179 K HA 0.098 4.420 4.320 0.003 0.000 0.194 179 K C 0.636 177.201 176.600 -0.058 0.000 1.023 179 K CA 0.342 56.611 56.287 -0.030 0.000 1.094 179 K CB 0.144 32.638 32.500 -0.010 0.000 0.841 179 K HN 0.416 nan 8.250 nan 0.000 0.523 180 T N -4.480 110.038 114.554 -0.061 0.000 2.950 180 T HA 0.534 4.886 4.350 0.003 0.000 0.288 180 T C 1.004 175.670 174.700 -0.057 0.000 1.035 180 T CA -0.578 61.477 62.100 -0.075 0.000 1.028 180 T CB 1.864 70.676 68.868 -0.094 0.000 1.109 180 T HN -0.043 nan 8.240 nan 0.000 0.514 181 A N 1.129 123.914 122.820 -0.057 0.000 1.898 181 A HA 0.063 4.384 4.320 0.003 0.000 0.214 181 A C 2.098 179.660 177.584 -0.037 0.000 1.183 181 A CA 0.633 52.643 52.037 -0.044 0.000 0.622 181 A CB -0.731 18.244 19.000 -0.042 0.000 0.824 181 A HN 0.801 nan 8.150 nan 0.000 0.444 182 N N -0.847 117.828 118.700 -0.041 0.000 2.424 182 N HA 0.102 4.843 4.740 0.003 0.000 0.178 182 N C 1.104 176.598 175.510 -0.027 0.000 1.060 182 N CA 1.108 54.139 53.050 -0.032 0.000 0.901 182 N CB 0.288 38.755 38.487 -0.033 0.000 0.979 182 N HN 0.656 nan 8.380 nan 0.000 0.451 183 G N 0.868 109.648 108.800 -0.033 0.000 2.132 183 G HA2 -0.214 3.748 3.960 0.003 0.000 0.228 183 G HA3 -0.214 3.748 3.960 0.003 0.000 0.228 183 G C -0.440 174.448 174.900 -0.021 0.000 1.000 183 G CA -0.387 44.698 45.100 -0.026 0.000 0.693 183 G HN 0.266 nan 8.290 nan 0.000 0.515 184 N N 0.347 119.031 118.700 -0.027 0.000 2.321 184 N HA 0.676 5.418 4.740 0.003 0.000 0.299 184 N C 0.410 175.909 175.510 -0.019 0.000 1.048 184 N CA 0.266 53.313 53.050 -0.005 0.000 0.836 184 N CB 1.873 40.360 38.487 0.001 0.000 1.269 184 N HN 0.615 nan 8.380 nan 0.000 0.486 185 A N 1.903 124.737 122.820 0.023 0.000 2.425 185 A HA 0.461 4.782 4.320 0.003 0.000 0.242 185 A C -0.028 177.576 177.584 0.034 0.000 1.077 185 A CA 0.048 52.092 52.037 0.011 0.000 0.781 185 A CB 0.106 19.100 19.000 -0.011 0.000 1.020 185 A HN 0.634 nan 8.150 nan 0.000 0.494 186 L N 1.124 122.273 121.223 -0.123 0.000 2.354 186 L HA 0.685 5.027 4.340 0.003 0.000 0.269 186 L C -0.775 176.013 176.870 -0.137 0.000 1.005 186 L CA -0.824 53.808 54.840 -0.348 0.000 0.819 186 L CB 1.749 43.189 42.059 -1.031 0.000 1.311 186 L HN 0.673 nan 8.230 nan 0.000 0.423 187 L N 3.067 124.292 121.223 0.003 0.000 2.422 187 L HA 0.696 5.038 4.340 0.003 0.000 0.264 187 L C -1.643 175.446 176.870 0.365 0.000 0.984 187 L CA -0.503 54.490 54.840 0.255 0.000 0.819 187 L CB 2.120 44.363 42.059 0.307 0.000 1.330 187 L HN 0.490 nan 8.230 nan 0.000 0.410 188 L N 3.688 125.165 121.223 0.423 0.000 2.349 188 L HA 0.596 4.937 4.340 0.003 0.000 0.278 188 L C -1.168 175.788 176.870 0.142 0.000 0.996 188 L CA 0.066 55.058 54.840 0.253 0.000 0.825 188 L CB 1.768 43.921 42.059 0.156 0.000 1.243 188 L HN 0.729 nan 8.230 nan 0.000 0.412 189 Q N 4.645 124.495 119.800 0.083 0.000 2.307 189 Q HA 0.412 4.754 4.340 0.003 0.000 0.262 189 Q C -0.713 175.218 176.000 -0.115 0.000 0.961 189 Q CA -0.206 55.683 55.803 0.144 0.000 0.882 189 Q CB 1.506 30.459 28.738 0.358 0.000 1.264 189 Q HN 0.716 nan 8.270 nan 0.000 0.446 190 N N 2.816 121.423 118.700 -0.156 0.000 2.732 190 N HA 0.168 4.910 4.740 0.003 0.000 0.230 190 N C -2.811 172.422 175.510 -0.461 0.000 1.487 190 N CA -1.160 51.697 53.050 -0.322 0.000 0.765 190 N CB 1.136 39.399 38.487 -0.373 0.000 1.384 190 N HN 0.323 nan 8.380 nan 0.000 0.530 191 P HA 0.120 nan 4.420 nan 0.000 0.279 191 P C -1.005 176.203 177.300 -0.152 0.000 1.239 191 P CA 0.280 63.172 63.100 -0.347 0.000 0.789 191 P CB 0.808 32.184 31.700 -0.540 0.000 0.933 192 H N 1.997 121.031 119.070 -0.059 0.000 2.351 192 H HA 0.343 4.900 4.556 0.003 0.000 0.232 192 H C 0.180 175.535 175.328 0.045 0.000 1.452 192 H CA -0.589 55.437 56.048 -0.037 0.000 1.236 192 H CB 0.057 29.750 29.762 -0.115 0.000 1.579 192 H HN 0.174 nan 8.280 nan 0.000 0.535 193 L N 0.223 121.594 121.223 0.247 0.000 2.400 193 L HA 0.266 4.607 4.340 0.003 0.000 0.264 193 L C 0.959 178.071 176.870 0.404 0.000 1.061 193 L CA -0.892 54.048 54.840 0.166 0.000 0.799 193 L CB 1.262 43.307 42.059 -0.023 0.000 1.240 193 L HN 0.301 nan 8.230 nan 0.000 0.461 194 S N -0.518 115.440 115.700 0.430 0.000 2.561 194 S HA -0.107 4.365 4.470 0.003 0.000 0.294 194 S C 0.306 175.254 174.600 0.579 0.000 1.294 194 S CA 0.125 58.630 58.200 0.507 0.000 1.055 194 S CB 0.173 63.631 63.200 0.430 0.000 0.819 194 S HN 0.462 nan 8.310 nan 0.000 0.503 195 W N 2.297 123.702 121.300 0.175 0.000 3.139 195 W HA 0.165 4.827 4.660 0.003 0.000 0.260 195 W C 2.382 178.988 176.519 0.145 0.000 1.312 195 W CA 0.593 58.108 57.345 0.282 0.000 1.606 195 W CB -0.909 28.680 29.460 0.214 0.000 1.118 195 W HN 0.963 nan 8.180 nan 0.000 0.675 196 T N -6.034 108.674 114.554 0.257 0.000 2.987 196 T HA 0.106 4.458 4.350 0.003 0.000 0.248 196 T C 0.907 175.594 174.700 -0.023 0.000 0.997 196 T CA 0.176 62.333 62.100 0.095 0.000 1.013 196 T CB -0.414 68.494 68.868 0.067 0.000 1.077 196 T HN -0.289 nan 8.240 nan 0.000 0.483 197 T N 4.460 118.999 114.554 -0.026 0.000 2.831 197 T HA 0.099 4.451 4.350 0.003 0.000 0.291 197 T C 1.088 175.591 174.700 -0.328 0.000 0.981 197 T CA 0.429 62.384 62.100 -0.241 0.000 1.174 197 T CB 0.741 69.432 68.868 -0.295 0.000 0.929 197 T HN 0.556 nan 8.240 nan 0.000 0.532 198 D N 3.885 124.059 120.400 -0.377 0.000 2.103 198 D HA -0.265 4.376 4.640 0.003 0.000 0.190 198 D C 1.731 177.883 176.300 -0.247 0.000 0.997 198 D CA 1.808 55.640 54.000 -0.279 0.000 0.833 198 D CB -0.812 39.869 40.800 -0.197 0.000 0.961 198 D HN 0.831 nan 8.370 nan 0.000 0.447 199 Y N -1.506 118.692 120.300 -0.170 0.000 2.651 199 Y HA 0.161 4.712 4.550 0.003 0.000 0.296 199 Y C 1.727 177.559 175.900 -0.113 0.000 1.150 199 Y CA -0.019 57.998 58.100 -0.140 0.000 1.348 199 Y CB -1.296 37.074 38.460 -0.150 0.000 0.983 199 Y HN 0.018 nan 8.280 nan 0.000 0.555 200 F N 0.242 120.107 119.950 -0.141 0.000 2.727 200 F HA 0.159 4.688 4.527 0.003 0.000 0.302 200 F C 0.695 176.323 175.800 -0.286 0.000 1.097 200 F CA -0.524 57.394 58.000 -0.138 0.000 1.330 200 F CB 0.279 39.236 39.000 -0.071 0.000 1.084 200 F HN -0.153 nan 8.300 nan 0.000 0.578 201 T N 0.910 115.396 114.554 -0.114 0.000 2.853 201 T HA 0.020 4.372 4.350 0.003 0.000 0.298 201 T C -0.608 173.953 174.700 -0.232 0.000 0.978 201 T CA 0.411 62.376 62.100 -0.226 0.000 1.152 201 T CB 0.118 68.770 68.868 -0.360 0.000 0.914 201 T HN 0.002 nan 8.240 nan 0.000 0.539 202 Y N 1.672 122.069 120.300 0.161 0.000 2.352 202 Y HA 0.485 5.037 4.550 0.003 0.000 0.326 202 Y C -0.157 175.840 175.900 0.162 0.000 1.166 202 Y CA -0.824 57.367 58.100 0.151 0.000 1.182 202 Y CB 1.056 39.599 38.460 0.138 0.000 1.216 202 Y HN 0.594 nan 8.280 nan 0.000 0.474 203 Y N 1.941 122.298 120.300 0.096 0.000 2.462 203 Y HA 0.351 4.902 4.550 0.003 0.000 0.346 203 Y C -0.826 175.009 175.900 -0.107 0.000 0.976 203 Y CA -1.474 56.645 58.100 0.031 0.000 1.044 203 Y CB 1.567 40.026 38.460 -0.001 0.000 1.230 203 Y HN 0.644 nan 8.280 nan 0.000 0.455 204 E N 3.816 123.635 120.200 -0.634 0.000 2.191 204 E HA 0.788 5.139 4.350 0.003 0.000 0.278 204 E C -1.531 174.536 176.600 -0.888 0.000 0.972 204 E CA -0.592 55.353 56.400 -0.758 0.000 0.804 204 E CB 1.151 30.510 29.700 -0.569 0.000 1.110 204 E HN 0.832 nan 8.360 nan 0.000 0.394 205 A N 3.433 125.778 122.820 -0.791 0.000 2.581 205 A HA 0.532 4.854 4.320 0.003 0.000 0.290 205 A C -1.908 175.170 177.584 -0.843 0.000 1.119 205 A CA -0.658 50.960 52.037 -0.699 0.000 0.670 205 A CB 1.599 20.402 19.000 -0.328 0.000 1.280 205 A HN 0.731 nan 8.150 nan 0.000 0.425 206 H N -0.275 118.329 119.070 -0.777 0.000 3.096 206 H HA 0.668 5.226 4.556 0.003 0.000 0.335 206 H C -2.204 172.848 175.328 -0.460 0.000 0.990 206 H CA -0.661 55.031 56.048 -0.594 0.000 1.393 206 H CB 0.872 30.421 29.762 -0.354 0.000 1.742 206 H HN 0.478 nan 8.280 nan 0.000 0.501 207 L N 5.438 126.361 121.223 -0.501 0.000 2.329 207 L HA 0.631 4.973 4.340 0.003 0.000 0.279 207 L C -0.694 175.826 176.870 -0.584 0.000 1.014 207 L CA -0.725 53.810 54.840 -0.509 0.000 0.814 207 L CB 1.885 43.751 42.059 -0.322 0.000 1.257 207 L HN 0.486 nan 8.230 nan 0.000 0.424 208 V N 1.263 120.781 119.914 -0.660 0.000 2.612 208 V HA 0.757 4.878 4.120 0.003 0.000 0.301 208 V C -0.156 175.671 176.094 -0.446 0.000 1.059 208 V CA -0.570 61.377 62.300 -0.589 0.000 0.886 208 V CB 1.897 33.324 31.823 -0.659 0.000 1.007 208 V HN 0.868 nan 8.190 nan 0.000 0.426 209 T N 1.799 116.030 114.554 -0.539 0.000 2.864 209 T HA 0.597 4.948 4.350 0.003 0.000 0.289 209 T C -2.527 172.047 174.700 -0.211 0.000 1.082 209 T CA -2.164 59.719 62.100 -0.362 0.000 1.009 209 T CB 2.520 71.099 68.868 -0.482 0.000 1.234 209 T HN 0.301 nan 8.240 nan 0.000 0.526 210 P HA 0.108 nan 4.420 nan 0.000 0.228 210 P C 0.436 177.742 177.300 0.010 0.000 1.151 210 P CA 0.768 63.836 63.100 -0.053 0.000 0.770 210 P CB 0.103 31.783 31.700 -0.034 0.000 0.786 211 D N -2.105 118.315 120.400 0.034 0.000 2.449 211 D HA 0.154 4.796 4.640 0.003 0.000 0.210 211 D C 0.429 176.895 176.300 0.276 0.000 1.094 211 D CA 0.375 54.478 54.000 0.172 0.000 0.846 211 D CB 0.581 41.534 40.800 0.255 0.000 1.003 211 D HN 0.233 nan 8.370 nan 0.000 0.504 212 F N -0.116 119.887 119.950 0.088 0.000 2.713 212 F HA 0.596 5.124 4.527 0.003 0.000 0.311 212 F C -1.592 174.223 175.800 0.025 0.000 1.141 212 F CA -1.223 56.804 58.000 0.046 0.000 0.939 212 F CB 1.661 40.680 39.000 0.032 0.000 1.325 212 F HN -0.320 nan 8.300 nan 0.000 0.453 213 E N 2.034 122.418 120.200 0.306 0.000 2.308 213 E HA 0.714 5.066 4.350 0.003 0.000 0.275 213 E C -2.052 174.691 176.600 0.239 0.000 0.890 213 E CA -0.769 55.729 56.400 0.162 0.000 0.754 213 E CB 2.392 32.172 29.700 0.133 0.000 1.207 213 E HN 0.785 nan 8.360 nan 0.000 0.426 214 I N 4.520 125.195 120.570 0.176 0.000 2.571 214 I HA 0.261 4.433 4.170 0.003 0.000 0.286 214 I C -1.496 174.629 176.117 0.013 0.000 1.134 214 I CA -0.807 60.545 61.300 0.086 0.000 1.052 214 I CB 1.540 39.589 38.000 0.082 0.000 1.237 214 I HN 0.571 nan 8.210 nan 0.000 0.435 215 Y N 5.163 125.295 120.300 -0.279 0.000 2.409 215 Y HA 0.868 5.420 4.550 0.003 0.000 0.339 215 Y C 0.404 176.002 175.900 -0.503 0.000 1.033 215 Y CA 0.261 58.083 58.100 -0.464 0.000 1.094 215 Y CB 2.039 39.962 38.460 -0.896 0.000 1.210 215 Y HN 0.707 nan 8.280 nan 0.000 0.456 216 G N 1.603 110.047 108.800 -0.594 0.000 2.359 216 G HA2 0.468 4.430 3.960 0.003 0.000 0.293 216 G HA3 0.468 4.430 3.960 0.003 0.000 0.293 216 G C -2.163 172.415 174.900 -0.537 0.000 1.300 216 G CA -0.409 44.528 45.100 -0.272 0.000 0.888 216 G HN 0.957 nan 8.290 nan 0.000 0.541 217 A N -1.044 121.443 122.820 -0.556 0.000 2.337 217 A HA 0.992 5.314 4.320 0.003 0.000 0.331 217 A C 0.032 177.624 177.584 0.013 0.000 1.137 217 A CA 0.204 51.899 52.037 -0.571 0.000 0.807 217 A CB 2.111 20.327 19.000 -1.307 0.000 1.250 217 A HN 1.769 nan 8.150 nan 0.000 0.468 218 T N -0.238 114.448 114.554 0.220 0.000 2.769 218 T HA 0.441 4.793 4.350 0.003 0.000 0.306 218 T C -1.235 173.672 174.700 0.345 0.000 1.400 218 T CA -0.423 61.904 62.100 0.379 0.000 1.007 218 T CB 1.239 70.257 68.868 0.251 0.000 1.392 218 T HN 0.713 nan 8.240 nan 0.000 0.500 219 Q N 1.638 121.565 119.800 0.213 0.000 2.327 219 Q HA 0.484 4.825 4.340 0.003 0.000 0.254 219 Q C 0.308 176.330 176.000 0.036 0.000 0.952 219 Q CA -0.280 55.532 55.803 0.015 0.000 0.884 219 Q CB 0.364 29.150 28.738 0.081 0.000 1.224 219 Q HN 0.632 nan 8.270 nan 0.000 0.422 220 I N -1.157 119.352 120.570 -0.101 0.000 2.775 220 I HA 0.251 4.423 4.170 0.003 0.000 0.290 220 I C 1.057 177.138 176.117 -0.060 0.000 1.203 220 I CA 0.720 61.895 61.300 -0.209 0.000 1.433 220 I CB -0.030 37.714 38.000 -0.428 0.000 1.354 220 I HN 0.786 nan 8.210 nan 0.000 0.579 221 G N 4.769 113.537 108.800 -0.053 0.000 2.195 221 G HA2 -0.204 3.757 3.960 0.003 0.000 0.246 221 G HA3 -0.204 3.757 3.960 0.003 0.000 0.246 221 G C -0.027 175.089 174.900 0.360 0.000 0.984 221 G CA -0.021 45.157 45.100 0.129 0.000 0.633 221 G HN 0.631 nan 8.290 nan 0.000 0.525 222 L N 1.732 123.066 121.223 0.185 0.000 2.289 222 L HA 0.409 4.751 4.340 0.003 0.000 0.285 222 L C -0.915 175.845 176.870 -0.182 0.000 1.049 222 L CA -1.973 52.918 54.840 0.085 0.000 0.804 222 L CB 1.906 44.041 42.059 0.128 0.000 1.195 222 L HN -0.066 nan 8.230 nan 0.000 0.428 223 P HA 0.037 nan 4.420 nan 0.000 0.249 223 P C -0.096 177.232 177.300 0.046 0.000 1.229 223 P CA 0.369 63.036 63.100 -0.722 0.000 0.788 223 P CB 0.622 31.741 31.700 -0.969 0.000 1.072 224 V N 0.927 120.938 119.914 0.162 0.000 2.823 224 V HA 0.331 4.453 4.120 0.003 0.000 0.312 224 V C 0.427 176.627 176.094 0.176 0.000 1.072 224 V CA -0.973 61.470 62.300 0.239 0.000 0.937 224 V CB 2.709 34.713 31.823 0.301 0.000 1.013 224 V HN -0.164 nan 8.190 nan 0.000 0.430 225 I N 4.034 124.685 120.570 0.135 0.000 2.294 225 I HA 0.309 4.481 4.170 0.003 0.000 0.295 225 I C 1.517 177.650 176.117 0.025 0.000 1.098 225 I CA -0.128 61.222 61.300 0.084 0.000 1.277 225 I CB 0.544 38.547 38.000 0.004 0.000 1.434 225 I HN 0.653 nan 8.210 nan 0.000 0.498 226 R N 4.043 124.511 120.500 -0.054 0.000 2.081 226 R HA -0.059 4.283 4.340 0.003 0.000 0.235 226 R C -0.030 176.155 176.300 -0.192 0.000 1.131 226 R CA 1.372 57.296 56.100 -0.293 0.000 0.960 226 R CB -0.009 30.039 30.300 -0.420 0.000 0.856 226 R HN 0.364 nan 8.270 nan 0.000 0.436 227 F N 0.685 120.648 119.950 0.021 0.000 2.318 227 F HA 0.408 4.936 4.527 0.003 0.000 0.356 227 F C 0.219 176.117 175.800 0.164 0.000 1.109 227 F CA -0.741 57.329 58.000 0.116 0.000 1.234 227 F CB 0.908 39.980 39.000 0.120 0.000 1.545 227 F HN -0.034 nan 8.300 nan 0.000 0.534 228 A N 2.972 125.962 122.820 0.282 0.000 2.350 228 A HA 0.974 5.295 4.320 0.003 0.000 0.318 228 A C -1.077 176.730 177.584 0.373 0.000 1.132 228 A CA -0.542 51.636 52.037 0.235 0.000 0.811 228 A CB 1.641 20.706 19.000 0.108 0.000 1.313 228 A HN 0.572 nan 8.150 nan 0.000 0.454 229 F N -0.697 119.390 119.950 0.228 0.000 2.773 229 F HA 0.771 5.299 4.527 0.002 0.000 0.314 229 F C -0.863 175.070 175.800 0.222 0.000 1.160 229 F CA -0.807 57.339 58.000 0.242 0.000 0.920 229 F CB 0.919 40.073 39.000 0.257 0.000 1.323 229 F HN 0.826 nan 8.300 nan 0.000 0.457 230 N N -1.306 117.666 118.700 0.452 0.000 3.517 230 N HA 0.200 4.942 4.740 0.003 0.000 0.329 230 N C -0.303 175.424 175.510 0.363 0.000 1.569 230 N CA -0.628 52.581 53.050 0.266 0.000 0.852 230 N CB 0.132 38.715 38.487 0.160 0.000 1.955 230 N HN 0.499 nan 8.380 nan 0.000 0.555 231 Q N -0.785 119.159 119.800 0.239 0.000 2.364 231 Q HA 0.079 4.421 4.340 0.003 0.000 0.207 231 Q C 0.916 177.065 176.000 0.249 0.000 0.970 231 Q CA 1.000 56.933 55.803 0.216 0.000 0.888 231 Q CB 0.003 28.832 28.738 0.152 0.000 0.951 231 Q HN 0.447 nan 8.270 nan 0.000 0.469 232 R N -0.298 120.334 120.500 0.221 0.000 2.121 232 R HA 0.221 4.563 4.340 0.003 0.000 0.206 232 R C 1.005 177.294 176.300 -0.017 0.000 1.094 232 R CA 0.715 56.888 56.100 0.122 0.000 1.055 232 R CB 0.520 30.859 30.300 0.065 0.000 0.964 232 R HN 0.356 nan 8.270 nan 0.000 0.473 233 M N -3.304 116.300 119.600 0.006 0.000 3.008 233 M HA 0.662 5.144 4.480 0.003 0.000 0.271 233 M C -0.771 175.543 176.300 0.024 0.000 1.265 233 M CA -0.948 54.114 55.300 -0.398 0.000 0.817 233 M CB 2.310 34.628 32.600 -0.470 0.000 1.638 233 M HN -0.041 nan 8.290 nan 0.000 0.479 234 G N 0.448 109.124 108.800 -0.207 0.000 2.646 234 G HA2 0.752 4.714 3.960 0.003 0.000 0.291 234 G HA3 0.752 4.714 3.960 0.003 0.000 0.291 234 G C -1.953 172.939 174.900 -0.013 0.000 1.445 234 G CA -0.742 44.480 45.100 0.203 0.000 0.814 234 G HN 1.375 nan 8.290 nan 0.000 0.495 235 I N -2.380 118.278 120.570 0.147 0.000 3.102 235 I HA 0.927 5.098 4.170 0.003 0.000 0.310 235 I C -0.664 175.553 176.117 0.165 0.000 1.246 235 I CA -0.909 60.467 61.300 0.127 0.000 0.979 235 I CB 2.304 40.399 38.000 0.158 0.000 1.267 235 I HN 0.677 nan 8.210 nan 0.000 0.451 236 T N 1.125 115.749 114.554 0.118 0.000 2.841 236 T HA 0.571 4.922 4.350 0.003 0.000 0.296 236 T C -1.493 173.138 174.700 -0.114 0.000 1.166 236 T CA -0.685 61.453 62.100 0.062 0.000 1.007 236 T CB 1.634 70.662 68.868 0.266 0.000 1.253 236 T HN 0.825 nan 8.240 nan 0.000 0.511 237 N N 0.931 119.457 118.700 -0.291 0.000 2.357 237 N HA 0.644 5.386 4.740 0.003 0.000 0.284 237 N C -1.282 174.222 175.510 -0.010 0.000 1.236 237 N CA -0.598 52.289 53.050 -0.270 0.000 0.774 237 N CB 2.298 40.347 38.487 -0.731 0.000 1.534 237 N HN 0.851 nan 8.380 nan 0.000 0.478 238 T N -3.096 111.475 114.554 0.029 0.000 2.894 238 T HA 0.395 4.747 4.350 0.003 0.000 0.309 238 T C -0.690 174.123 174.700 0.188 0.000 1.208 238 T CA -0.627 61.535 62.100 0.104 0.000 1.016 238 T CB 0.927 69.853 68.868 0.096 0.000 1.192 238 T HN 0.086 nan 8.240 nan 0.000 0.491 239 V N 3.331 123.371 119.914 0.210 0.000 2.637 239 V HA 0.291 4.412 4.120 0.003 0.000 0.296 239 V C 1.358 177.518 176.094 0.110 0.000 1.046 239 V CA 0.322 62.761 62.300 0.233 0.000 1.066 239 V CB 0.615 32.577 31.823 0.232 0.000 0.968 239 V HN 1.071 nan 8.190 nan 0.000 0.483 240 N N 2.957 121.666 118.700 0.015 0.000 2.159 240 N HA 0.220 4.961 4.740 0.003 0.000 0.217 240 N C 1.181 176.675 175.510 -0.027 0.000 1.223 240 N CA 0.317 53.344 53.050 -0.037 0.000 0.896 240 N CB 0.891 39.198 38.487 -0.299 0.000 1.064 240 N HN 0.863 nan 8.380 nan 0.000 0.518 241 G N 1.794 110.572 108.800 -0.036 0.000 2.187 241 G HA2 -0.388 3.574 3.960 0.003 0.000 0.261 241 G HA3 -0.388 3.574 3.960 0.003 0.000 0.261 241 G C 0.175 175.055 174.900 -0.032 0.000 1.000 241 G CA 0.577 45.673 45.100 -0.006 0.000 0.718 241 G HN 0.498 nan 8.290 nan 0.000 0.519 242 M N 0.663 120.176 119.600 -0.146 0.000 2.273 242 M HA 0.170 4.652 4.480 0.003 0.000 0.424 242 M C 0.676 176.939 176.300 -0.062 0.000 1.461 242 M CA 0.606 55.826 55.300 -0.133 0.000 0.819 242 M CB 0.411 32.837 32.600 -0.291 0.000 2.023 242 M HN 0.222 nan 8.290 nan 0.000 0.510 243 V N 7.492 127.409 119.914 0.005 0.000 2.302 243 V HA 0.201 4.323 4.120 0.003 0.000 0.244 243 V C 1.395 177.433 176.094 -0.093 0.000 1.160 243 V CA 0.668 62.962 62.300 -0.010 0.000 1.127 243 V CB -0.714 31.137 31.823 0.047 0.000 1.253 243 V HN 1.081 nan 8.190 nan 0.000 0.496 244 G N 2.977 111.720 108.800 -0.095 0.000 3.042 244 G HA2 0.477 4.439 3.960 0.003 0.000 0.212 244 G HA3 0.477 4.439 3.960 0.003 0.000 0.212 244 G C 0.451 175.322 174.900 -0.048 0.000 1.166 244 G CA 0.696 45.721 45.100 -0.126 0.000 0.767 244 G HN 0.789 nan 8.290 nan 0.000 0.546 245 A N -0.702 122.129 122.820 0.018 0.000 2.469 245 A HA 0.829 5.151 4.320 0.003 0.000 0.299 245 A C -0.734 176.964 177.584 0.189 0.000 1.098 245 A CA -0.447 51.682 52.037 0.153 0.000 0.737 245 A CB 1.663 20.730 19.000 0.111 0.000 1.312 245 A HN 0.025 nan 8.150 nan 0.000 0.414 246 T N 2.167 116.902 114.554 0.301 0.000 2.879 246 T HA 0.417 4.768 4.350 0.003 0.000 0.290 246 T C -0.929 173.794 174.700 0.038 0.000 0.993 246 T CA -0.649 61.543 62.100 0.154 0.000 0.975 246 T CB 0.954 69.959 68.868 0.228 0.000 0.981 246 T HN 0.569 nan 8.240 nan 0.000 0.439 247 N N 2.728 121.385 118.700 -0.073 0.000 2.457 247 N HA 0.300 5.041 4.740 0.003 0.000 0.250 247 N C -1.222 174.197 175.510 -0.151 0.000 0.982 247 N CA -0.286 52.758 53.050 -0.012 0.000 0.941 247 N CB 1.097 39.588 38.487 0.007 0.000 1.120 247 N HN 0.524 nan 8.380 nan 0.000 0.505 248 Y N 0.644 120.917 120.300 -0.045 0.000 2.323 248 Y HA 0.285 4.837 4.550 0.003 0.000 0.331 248 Y C 1.116 176.951 175.900 -0.108 0.000 1.092 248 Y CA -0.701 57.310 58.100 -0.148 0.000 1.150 248 Y CB 1.347 39.563 38.460 -0.406 0.000 1.200 248 Y HN 0.209 nan 8.280 nan 0.000 0.472 249 R N 3.839 124.375 120.500 0.060 0.000 2.357 249 R HA 0.517 4.859 4.340 0.003 0.000 0.296 249 R C -1.494 174.860 176.300 0.090 0.000 1.052 249 R CA -0.303 55.831 56.100 0.056 0.000 0.988 249 R CB 0.413 30.728 30.300 0.025 0.000 1.025 249 R HN 0.791 nan 8.270 nan 0.000 0.469 250 L N 2.434 123.721 121.223 0.106 0.000 2.334 250 L HA 0.386 4.728 4.340 0.003 0.000 0.273 250 L C -0.107 176.865 176.870 0.169 0.000 1.013 250 L CA -0.818 54.113 54.840 0.152 0.000 0.816 250 L CB 2.333 44.489 42.059 0.162 0.000 1.278 250 L HN 0.645 nan 8.230 nan 0.000 0.431 251 T N 3.636 118.314 114.554 0.206 0.000 2.929 251 T HA 0.427 4.779 4.350 0.003 0.000 0.331 251 T C 0.078 174.901 174.700 0.204 0.000 1.120 251 T CA -0.430 61.775 62.100 0.175 0.000 0.973 251 T CB 0.015 68.976 68.868 0.154 0.000 1.036 251 T HN 0.249 nan 8.240 nan 0.000 0.502 252 L N 3.573 124.913 121.223 0.196 0.000 2.416 252 L HA 0.427 4.768 4.340 0.003 0.000 0.272 252 L C 0.399 177.363 176.870 0.156 0.000 1.161 252 L CA -0.011 54.962 54.840 0.222 0.000 0.845 252 L CB 0.523 42.704 42.059 0.203 0.000 1.119 252 L HN 0.594 nan 8.230 nan 0.000 0.464 253 Q N 2.492 122.381 119.800 0.148 0.000 2.364 253 Q HA 0.110 4.452 4.340 0.003 0.000 0.257 253 Q C -1.393 174.652 176.000 0.075 0.000 0.956 253 Q CA -0.666 55.192 55.803 0.091 0.000 0.924 253 Q CB 1.501 30.277 28.738 0.064 0.000 1.413 253 Q HN 0.661 nan 8.270 nan 0.000 0.418 254 D N 3.290 123.729 120.400 0.064 0.000 2.704 254 D HA -0.237 4.405 4.640 0.003 0.000 0.232 254 D C 0.748 177.090 176.300 0.070 0.000 1.183 254 D CA 1.903 55.934 54.000 0.052 0.000 0.647 254 D CB -1.171 39.644 40.800 0.025 0.000 1.013 254 D HN 1.143 nan 8.370 nan 0.000 0.415 255 G N -1.463 107.405 108.800 0.113 0.000 2.189 255 G HA2 -0.243 3.718 3.960 0.003 0.000 0.267 255 G HA3 -0.243 3.718 3.960 0.003 0.000 0.267 255 G C 0.704 175.757 174.900 0.255 0.000 0.975 255 G CA 0.912 46.108 45.100 0.160 0.000 0.644 255 G HN 0.966 nan 8.290 nan 0.000 0.537 256 G N -0.963 107.935 108.800 0.162 0.000 3.212 256 G HA2 0.844 4.806 3.960 0.003 0.000 0.188 256 G HA3 0.844 4.806 3.960 0.003 0.000 0.188 256 G C -0.733 174.182 174.900 0.026 0.000 1.254 256 G CA -0.373 44.732 45.100 0.008 0.000 0.957 256 G HN 1.318 nan 8.290 nan 0.000 0.596 257 Y N -1.672 118.419 120.300 -0.349 0.000 2.457 257 Y HA 0.719 5.270 4.550 0.003 0.000 0.343 257 Y C -0.890 174.969 175.900 -0.069 0.000 0.994 257 Y CA -1.589 56.404 58.100 -0.178 0.000 1.031 257 Y CB 1.680 39.969 38.460 -0.284 0.000 1.246 257 Y HN 0.468 nan 8.280 nan 0.000 0.449 258 L N 4.885 126.169 121.223 0.102 0.000 2.410 258 L HA 0.350 4.692 4.340 0.003 0.000 0.273 258 L C -1.453 175.529 176.870 0.187 0.000 1.144 258 L CA 0.082 54.959 54.840 0.063 0.000 0.863 258 L CB -0.149 41.962 42.059 0.088 0.000 1.140 258 L HN 0.752 nan 8.230 nan 0.000 0.463 259 Y N 4.340 124.590 120.300 -0.083 0.000 2.401 259 Y HA 0.276 4.828 4.550 0.003 0.000 0.330 259 Y C -0.113 175.763 175.900 -0.040 0.000 1.071 259 Y CA -1.039 57.050 58.100 -0.018 0.000 1.049 259 Y CB 1.020 39.429 38.460 -0.085 0.000 1.239 259 Y HN 0.785 nan 8.280 nan 0.000 0.437 260 D N 4.562 124.739 120.400 -0.371 0.000 2.701 260 D HA -0.198 4.444 4.640 0.003 0.000 0.235 260 D C 1.251 177.484 176.300 -0.112 0.000 1.155 260 D CA 2.237 56.069 54.000 -0.279 0.000 0.649 260 D CB -1.026 39.576 40.800 -0.330 0.000 1.050 260 D HN 1.304 nan 8.370 nan 0.000 0.425 261 G N -1.381 107.381 108.800 -0.064 0.000 2.267 261 G HA2 -0.334 3.628 3.960 0.003 0.000 0.257 261 G HA3 -0.334 3.628 3.960 0.003 0.000 0.257 261 G C 0.245 175.127 174.900 -0.031 0.000 0.998 261 G CA 0.567 45.646 45.100 -0.035 0.000 0.620 261 G HN 0.435 nan 8.290 nan 0.000 0.529 262 Q N -0.326 119.451 119.800 -0.038 0.000 2.297 262 Q HA 0.629 4.970 4.340 0.003 0.000 0.268 262 Q C -0.088 175.857 176.000 -0.093 0.000 1.045 262 Q CA -0.755 55.015 55.803 -0.054 0.000 0.861 262 Q CB 2.263 30.967 28.738 -0.056 0.000 1.344 262 Q HN 0.238 nan 8.270 nan 0.000 0.452 263 V N 2.678 122.525 119.914 -0.112 0.000 2.338 263 V HA 0.187 4.308 4.120 0.003 0.000 0.255 263 V C 0.547 176.470 176.094 -0.284 0.000 1.082 263 V CA -0.121 62.076 62.300 -0.171 0.000 0.951 263 V CB 0.017 31.781 31.823 -0.099 0.000 1.102 263 V HN 0.394 nan 8.190 nan 0.000 0.489 264 R N 5.601 125.775 120.500 -0.544 0.000 2.390 264 R HA 0.328 4.670 4.340 0.003 0.000 0.291 264 R C -2.473 173.435 176.300 -0.653 0.000 1.070 264 R CA -1.518 54.174 56.100 -0.680 0.000 1.014 264 R CB 1.412 31.059 30.300 -1.088 0.000 1.007 264 R HN 0.395 nan 8.270 nan 0.000 0.466 265 P HA 0.138 nan 4.420 nan 0.000 0.277 265 P C -0.659 176.594 177.300 -0.077 0.000 1.240 265 P CA -0.218 62.791 63.100 -0.152 0.000 0.798 265 P CB 0.508 32.175 31.700 -0.055 0.000 0.979 266 F N -0.101 119.930 119.950 0.135 0.000 2.378 266 F HA 0.207 4.735 4.527 0.003 0.000 0.319 266 F C 1.444 177.272 175.800 0.047 0.000 1.155 266 F CA 0.021 58.106 58.000 0.141 0.000 1.157 266 F CB 0.555 39.603 39.000 0.079 0.000 1.252 266 F HN 0.234 nan 8.300 nan 0.000 0.550 267 E N 1.858 122.211 120.200 0.255 0.000 2.046 267 E HA 0.267 4.619 4.350 0.003 0.000 0.279 267 E C -0.903 175.744 176.600 0.077 0.000 0.989 267 E CA -0.509 55.955 56.400 0.107 0.000 0.798 267 E CB 0.561 30.293 29.700 0.053 0.000 1.086 267 E HN 0.439 nan 8.360 nan 0.000 0.399 268 R N 3.107 123.637 120.500 0.051 0.000 2.460 268 R HA 0.497 4.838 4.340 0.003 0.000 0.303 268 R C -0.277 176.013 176.300 -0.017 0.000 0.968 268 R CA -0.714 55.389 56.100 0.004 0.000 0.889 268 R CB 1.851 32.159 30.300 0.012 0.000 1.123 268 R HN 0.308 nan 8.270 nan 0.000 0.455 269 R N 1.994 122.470 120.500 -0.040 0.000 2.514 269 R HA 0.168 4.510 4.340 0.003 0.000 0.296 269 R C -1.288 174.985 176.300 -0.045 0.000 1.012 269 R CA -0.715 55.361 56.100 -0.040 0.000 0.897 269 R CB 1.436 31.708 30.300 -0.047 0.000 1.184 269 R HN 0.411 nan 8.270 nan 0.000 0.440 270 Q N 2.520 122.298 119.800 -0.036 0.000 2.349 270 Q HA 0.495 4.837 4.340 0.003 0.000 0.254 270 Q C -0.777 175.202 176.000 -0.035 0.000 0.980 270 Q CA 0.055 55.835 55.803 -0.037 0.000 0.924 270 Q CB 1.922 30.640 28.738 -0.034 0.000 1.209 270 Q HN 0.695 nan 8.270 nan 0.000 0.445 271 A N 1.941 124.742 122.820 -0.032 0.000 2.468 271 A HA 0.959 5.280 4.320 0.003 0.000 0.270 271 A C -0.764 176.808 177.584 -0.021 0.000 1.217 271 A CA -0.181 51.843 52.037 -0.022 0.000 0.908 271 A CB 1.276 20.268 19.000 -0.013 0.000 1.423 271 A HN 0.791 nan 8.150 nan 0.000 0.459 272 S N -2.000 113.697 115.700 -0.004 0.000 2.578 272 S HA 0.661 5.133 4.470 0.003 0.000 0.272 272 S C -1.178 173.437 174.600 0.025 0.000 1.145 272 S CA -0.416 57.752 58.200 -0.054 0.000 0.835 272 S CB 0.682 63.823 63.200 -0.099 0.000 1.104 272 S HN 1.997 nan 8.310 nan 0.000 0.458 273 Y N -1.080 119.186 120.300 -0.056 0.000 2.597 273 Y HA 0.904 5.456 4.550 0.003 0.000 0.340 273 Y C -0.971 174.890 175.900 -0.066 0.000 1.097 273 Y CA -1.333 56.724 58.100 -0.071 0.000 1.037 273 Y CB 0.768 39.185 38.460 -0.071 0.000 1.305 273 Y HN 0.679 nan 8.280 nan 0.000 0.463 274 R N 1.682 122.243 120.500 0.102 0.000 2.349 274 R HA 0.570 4.912 4.340 0.003 0.000 0.299 274 R C -1.591 174.781 176.300 0.119 0.000 1.027 274 R CA -0.848 55.265 56.100 0.021 0.000 0.958 274 R CB 1.213 31.500 30.300 -0.023 0.000 1.047 274 R HN 0.774 nan 8.270 nan 0.000 0.468 275 L N 2.833 124.096 121.223 0.066 0.000 2.294 275 L HA 0.465 4.807 4.340 0.003 0.000 0.283 275 L C -0.175 176.726 176.870 0.051 0.000 1.015 275 L CA -0.356 54.549 54.840 0.110 0.000 0.831 275 L CB 1.028 43.164 42.059 0.128 0.000 1.217 275 L HN 0.523 nan 8.230 nan 0.000 0.420 276 R N 3.490 124.017 120.500 0.045 0.000 2.570 276 R HA 0.195 4.536 4.340 0.003 0.000 0.277 276 R C -0.659 175.669 176.300 0.047 0.000 1.039 276 R CA -0.192 55.927 56.100 0.032 0.000 1.065 276 R CB 0.518 30.832 30.300 0.024 0.000 0.964 276 R HN 0.610 nan 8.270 nan 0.000 0.428 277 Q N 2.100 121.920 119.800 0.033 0.000 2.226 277 Q HA 0.224 4.565 4.340 0.003 0.000 0.256 277 Q C 0.798 176.820 176.000 0.036 0.000 0.962 277 Q CA 0.049 55.872 55.803 0.034 0.000 0.887 277 Q CB 1.719 30.469 28.738 0.019 0.000 1.282 277 Q HN 0.805 nan 8.270 nan 0.000 0.449 278 A N 2.065 124.908 122.820 0.038 0.000 1.958 278 A HA -0.243 4.079 4.320 0.003 0.000 0.221 278 A C 1.026 178.627 177.584 0.028 0.000 1.178 278 A CA 2.352 54.411 52.037 0.037 0.000 0.642 278 A CB -0.540 18.480 19.000 0.032 0.000 0.816 278 A HN 0.792 nan 8.150 nan 0.000 0.453 279 D N -2.156 118.257 120.400 0.020 0.000 2.324 279 D HA 0.305 4.946 4.640 0.003 0.000 0.235 279 D C 1.158 177.465 176.300 0.011 0.000 1.095 279 D CA 0.902 54.910 54.000 0.014 0.000 0.871 279 D CB -0.740 40.065 40.800 0.009 0.000 0.906 279 D HN 0.851 nan 8.370 nan 0.000 0.522 280 G N 0.053 108.863 108.800 0.016 0.000 2.225 280 G HA2 -0.308 3.654 3.960 0.003 0.000 0.254 280 G HA3 -0.308 3.654 3.960 0.003 0.000 0.254 280 G C 0.495 175.397 174.900 0.004 0.000 0.988 280 G CA 0.470 45.577 45.100 0.010 0.000 0.625 280 G HN 0.821 nan 8.290 nan 0.000 0.527 281 S N 0.071 115.773 115.700 0.004 0.000 2.652 281 S HA 0.731 5.202 4.470 0.003 0.000 0.270 281 S C 0.151 174.750 174.600 -0.001 0.000 1.243 281 S CA 0.646 58.845 58.200 -0.002 0.000 0.999 281 S CB 1.800 64.998 63.200 -0.003 0.000 0.973 281 S HN 1.507 nan 8.310 nan 0.000 0.544 282 T N -1.279 113.270 114.554 -0.008 0.000 2.856 282 T HA 0.650 5.002 4.350 0.003 0.000 0.283 282 T C -0.667 174.021 174.700 -0.020 0.000 1.008 282 T CA -0.802 61.292 62.100 -0.010 0.000 0.997 282 T CB 1.128 69.986 68.868 -0.016 0.000 0.992 282 T HN 0.539 nan 8.240 nan 0.000 0.454 283 V N 2.644 122.543 119.914 -0.025 0.000 2.417 283 V HA 0.313 4.435 4.120 0.003 0.000 0.291 283 V C 0.073 176.117 176.094 -0.083 0.000 1.024 283 V CA -0.864 61.409 62.300 -0.044 0.000 0.861 283 V CB 1.513 33.315 31.823 -0.036 0.000 0.985 283 V HN 0.961 nan 8.190 nan 0.000 0.436 284 D N 4.636 124.978 120.400 -0.095 0.000 2.401 284 D HA 0.171 4.813 4.640 0.003 0.000 0.254 284 D C -0.154 176.021 176.300 -0.208 0.000 1.192 284 D CA 0.420 54.336 54.000 -0.140 0.000 0.885 284 D CB 0.694 41.431 40.800 -0.104 0.000 1.147 284 D HN 0.439 nan 8.370 nan 0.000 0.478 285 K N 4.273 124.449 120.400 -0.374 0.000 2.376 285 K HA 0.387 4.708 4.320 0.003 0.000 0.257 285 K C -2.501 173.804 176.600 -0.491 0.000 0.939 285 K CA -1.739 54.260 56.287 -0.481 0.000 0.809 285 K CB 2.307 34.379 32.500 -0.713 0.000 1.121 285 K HN 0.131 nan 8.250 nan 0.000 0.425 286 P HA 0.102 nan 4.420 nan 0.000 0.271 286 P C -1.245 175.987 177.300 -0.113 0.000 1.218 286 P CA -0.483 62.520 63.100 -0.160 0.000 0.780 286 P CB 0.515 32.155 31.700 -0.101 0.000 0.901 287 L N 1.678 122.876 121.223 -0.042 0.000 2.620 287 L HA 0.302 4.643 4.340 0.003 0.000 0.261 287 L C -0.574 176.290 176.870 -0.009 0.000 0.978 287 L CA -0.418 54.442 54.840 0.033 0.000 0.897 287 L CB 1.280 43.442 42.059 0.171 0.000 1.207 287 L HN 0.244 nan 8.230 nan 0.000 0.425 288 E N 5.152 125.331 120.200 -0.034 0.000 2.223 288 E HA 0.332 4.683 4.350 0.003 0.000 0.282 288 E C -0.919 175.621 176.600 -0.100 0.000 1.046 288 E CA -0.333 56.028 56.400 -0.064 0.000 0.857 288 E CB 0.732 30.389 29.700 -0.072 0.000 1.055 288 E HN 0.670 nan 8.360 nan 0.000 0.409 289 I N 5.955 126.460 120.570 -0.108 0.000 2.307 289 I HA 0.273 4.445 4.170 0.003 0.000 0.289 289 I C 0.258 176.278 176.117 -0.162 0.000 1.021 289 I CA -0.432 60.774 61.300 -0.158 0.000 1.224 289 I CB 0.871 38.788 38.000 -0.138 0.000 1.376 289 I HN 0.385 nan 8.210 nan 0.000 0.470 290 R N 4.144 124.507 120.500 -0.228 0.000 2.474 290 R HA 0.682 5.024 4.340 0.003 0.000 0.295 290 R C -0.720 175.481 176.300 -0.165 0.000 0.980 290 R CA -0.549 55.422 56.100 -0.214 0.000 0.934 290 R CB 2.154 32.197 30.300 -0.428 0.000 1.101 290 R HN 0.487 nan 8.270 nan 0.000 0.469 291 S N 0.290 115.986 115.700 -0.006 0.000 2.570 291 S HA 0.490 4.961 4.470 0.003 0.000 0.286 291 S C -0.768 173.913 174.600 0.136 0.000 1.099 291 S CA -0.809 57.401 58.200 0.016 0.000 0.913 291 S CB 2.047 65.231 63.200 -0.026 0.000 1.085 291 S HN 0.706 nan 8.310 nan 0.000 0.480 292 S N -0.086 115.599 115.700 -0.024 0.000 2.751 292 S HA 0.540 5.012 4.470 0.003 0.000 0.310 292 S C 0.949 175.408 174.600 -0.235 0.000 1.128 292 S CA -0.517 57.523 58.200 -0.267 0.000 0.931 292 S CB 0.884 63.674 63.200 -0.683 0.000 1.177 292 S HN 0.547 nan 8.310 nan 0.000 0.530 293 V N 1.302 120.992 119.914 -0.372 0.000 2.568 293 V HA -0.192 3.929 4.120 0.003 0.000 0.253 293 V C 2.125 177.936 176.094 -0.472 0.000 1.072 293 V CA 2.083 64.111 62.300 -0.454 0.000 1.084 293 V CB -1.361 30.054 31.823 -0.681 0.000 0.676 293 V HN 0.887 nan 8.190 nan 0.000 0.469 294 H N 0.342 119.207 119.070 -0.342 0.000 2.284 294 H HA 0.352 4.910 4.556 0.003 0.000 0.304 294 H C 1.141 176.363 175.328 -0.177 0.000 1.069 294 H CA 1.233 57.069 56.048 -0.353 0.000 1.327 294 H CB -0.096 29.393 29.762 -0.455 0.000 1.387 294 H HN 0.594 nan 8.280 nan 0.000 0.498 295 G N -0.278 108.538 108.800 0.027 0.000 2.344 295 G HA2 0.141 4.103 3.960 0.003 0.000 0.282 295 G HA3 0.141 4.103 3.960 0.003 0.000 0.282 295 G C -2.973 171.935 174.900 0.013 0.000 1.281 295 G CA -1.086 44.033 45.100 0.032 0.000 0.877 295 G HN -0.097 nan 8.290 nan 0.000 0.494 296 P HA 0.355 nan 4.420 nan 0.000 0.266 296 P C -0.301 176.886 177.300 -0.190 0.000 1.193 296 P CA -0.116 62.883 63.100 -0.167 0.000 0.770 296 P CB 0.955 32.512 31.700 -0.239 0.000 0.836 297 V N 4.284 123.982 119.914 -0.359 0.000 2.417 297 V HA 0.435 4.556 4.120 0.003 0.000 0.291 297 V C -0.147 175.672 176.094 -0.459 0.000 1.024 297 V CA -0.167 61.980 62.300 -0.255 0.000 0.861 297 V CB 0.449 32.143 31.823 -0.215 0.000 0.985 297 V HN 0.361 nan 8.190 nan 0.000 0.436 298 F N 1.852 121.814 119.950 0.019 0.000 2.575 298 F HA 0.616 5.144 4.527 0.003 0.000 0.330 298 F C 0.267 176.081 175.800 0.023 0.000 1.056 298 F CA -0.856 57.168 58.000 0.041 0.000 0.964 298 F CB 1.700 40.776 39.000 0.126 0.000 1.258 298 F HN 0.440 nan 8.300 nan 0.000 0.484 299 E N 1.749 122.076 120.200 0.211 0.000 2.165 299 E HA 0.409 4.760 4.350 0.003 0.000 0.266 299 E C -0.789 175.880 176.600 0.115 0.000 0.889 299 E CA -0.705 55.766 56.400 0.118 0.000 0.756 299 E CB 1.125 30.858 29.700 0.055 0.000 1.131 299 E HN 0.562 nan 8.360 nan 0.000 0.411 300 R N 1.982 122.535 120.500 0.088 0.000 2.649 300 R HA 0.306 4.647 4.340 0.003 0.000 0.270 300 R C 1.058 177.383 176.300 0.040 0.000 1.105 300 R CA 0.379 56.513 56.100 0.057 0.000 1.193 300 R CB 0.640 30.965 30.300 0.040 0.000 1.120 300 R HN 0.698 nan 8.270 nan 0.000 0.561 301 A N 1.447 124.282 122.820 0.025 0.000 1.902 301 A HA -0.221 4.100 4.320 0.003 0.000 0.217 301 A C 1.404 179.000 177.584 0.019 0.000 1.181 301 A CA 2.118 54.167 52.037 0.019 0.000 0.623 301 A CB -0.718 18.287 19.000 0.008 0.000 0.818 301 A HN 0.900 nan 8.150 nan 0.000 0.443 302 D N -2.026 118.384 120.400 0.017 0.000 2.392 302 D HA 0.248 4.889 4.640 0.003 0.000 0.228 302 D C 1.160 177.475 176.300 0.024 0.000 1.003 302 D CA 1.117 55.127 54.000 0.017 0.000 0.917 302 D CB -0.592 40.216 40.800 0.014 0.000 0.890 302 D HN 0.883 nan 8.370 nan 0.000 0.532 303 G N -1.197 107.621 108.800 0.029 0.000 2.157 303 G HA2 -0.257 3.704 3.960 0.003 0.000 0.239 303 G HA3 -0.257 3.704 3.960 0.003 0.000 0.239 303 G C 0.318 175.244 174.900 0.043 0.000 0.982 303 G CA 0.204 45.325 45.100 0.035 0.000 0.650 303 G HN 0.447 nan 8.290 nan 0.000 0.527 304 T N 1.539 116.120 114.554 0.045 0.000 2.814 304 T HA 0.571 4.922 4.350 0.003 0.000 0.297 304 T C 0.651 175.393 174.700 0.070 0.000 0.956 304 T CA 0.657 62.789 62.100 0.054 0.000 1.123 304 T CB 1.476 70.371 68.868 0.044 0.000 0.902 304 T HN 1.292 nan 8.240 nan 0.000 0.528 305 A N 4.142 127.010 122.820 0.080 0.000 2.310 305 A HA 0.571 4.893 4.320 0.003 0.000 0.300 305 A C -0.096 177.552 177.584 0.107 0.000 1.269 305 A CA -0.515 51.575 52.037 0.089 0.000 0.909 305 A CB 0.098 19.160 19.000 0.102 0.000 1.144 305 A HN 0.683 nan 8.150 nan 0.000 0.540 306 V N 2.045 122.040 119.914 0.135 0.000 2.555 306 V HA 0.718 4.840 4.120 0.003 0.000 0.302 306 V C 0.417 176.641 176.094 0.216 0.000 1.038 306 V CA -0.314 62.083 62.300 0.161 0.000 0.887 306 V CB 1.630 33.551 31.823 0.164 0.000 0.991 306 V HN 1.104 nan 8.190 nan 0.000 0.434 307 A N 3.810 126.741 122.820 0.186 0.000 2.331 307 A HA 0.814 5.135 4.320 0.003 0.000 0.320 307 A C -0.833 176.928 177.584 0.296 0.000 1.138 307 A CA -0.614 51.542 52.037 0.199 0.000 0.790 307 A CB 1.752 20.801 19.000 0.082 0.000 1.206 307 A HN 0.900 nan 8.150 nan 0.000 0.470 308 V N 3.364 123.487 119.914 0.348 0.000 2.398 308 V HA 0.658 4.780 4.120 0.003 0.000 0.286 308 V C -0.052 176.233 176.094 0.319 0.000 1.026 308 V CA -0.732 61.781 62.300 0.354 0.000 0.868 308 V CB 1.345 33.400 31.823 0.387 0.000 0.982 308 V HN 0.907 nan 8.190 nan 0.000 0.443 309 R N 5.455 126.172 120.500 0.362 0.000 2.320 309 R HA 0.633 4.975 4.340 0.003 0.000 0.319 309 R C -1.650 174.886 176.300 0.395 0.000 0.969 309 R CA -0.449 55.833 56.100 0.304 0.000 0.857 309 R CB 1.564 32.017 30.300 0.254 0.000 1.160 309 R HN 0.626 nan 8.270 nan 0.000 0.491 310 V N 3.994 124.091 119.914 0.306 0.000 2.439 310 V HA 0.482 4.603 4.120 0.003 0.000 0.282 310 V C 0.633 176.938 176.094 0.352 0.000 1.039 310 V CA -0.714 61.742 62.300 0.260 0.000 0.913 310 V CB 1.289 33.141 31.823 0.048 0.000 0.983 310 V HN 0.911 nan 8.190 nan 0.000 0.460 311 A N 3.417 126.449 122.820 0.353 0.000 2.313 311 A HA 0.636 4.958 4.320 0.003 0.000 0.261 311 A C 1.412 179.108 177.584 0.188 0.000 1.090 311 A CA 0.289 52.512 52.037 0.310 0.000 0.807 311 A CB -0.063 18.960 19.000 0.038 0.000 1.055 311 A HN 2.190 nan 8.150 nan 0.000 0.492 312 G N -0.644 108.260 108.800 0.174 0.000 2.225 312 G HA2 -0.221 3.741 3.960 0.003 0.000 0.267 312 G HA3 -0.221 3.741 3.960 0.003 0.000 0.267 312 G C 0.466 175.525 174.900 0.265 0.000 1.024 312 G CA 0.602 45.791 45.100 0.149 0.000 0.784 312 G HN 0.789 nan 8.290 nan 0.000 0.507 313 L N 0.305 121.717 121.223 0.316 0.000 2.622 313 L HA 0.107 4.448 4.340 0.003 0.000 0.233 313 L C 1.692 178.866 176.870 0.507 0.000 1.156 313 L CA 1.191 56.306 54.840 0.457 0.000 0.866 313 L CB -0.056 42.197 42.059 0.323 0.000 0.980 313 L HN 0.486 nan 8.230 nan 0.000 0.448 314 D N -1.088 119.472 120.400 0.267 0.000 2.559 314 D HA 0.009 4.651 4.640 0.003 0.000 0.234 314 D C 0.327 176.561 176.300 -0.110 0.000 1.226 314 D CA -0.271 53.805 54.000 0.126 0.000 0.830 314 D CB 0.329 41.180 40.800 0.084 0.000 1.028 314 D HN 0.036 nan 8.370 nan 0.000 0.492 315 R N 1.872 122.217 120.500 -0.259 0.000 2.790 315 R HA 0.258 4.599 4.340 0.003 0.000 0.274 315 R C -1.906 173.727 176.300 -1.112 0.000 1.334 315 R CA -1.688 54.131 56.100 -0.469 0.000 1.543 315 R CB 0.819 30.963 30.300 -0.259 0.000 1.154 315 R HN 0.117 nan 8.270 nan 0.000 0.601 316 P HA -0.027 nan 4.420 nan 0.000 0.233 316 P C 0.829 177.734 177.300 -0.658 0.000 1.167 316 P CA 0.630 62.840 63.100 -1.483 0.000 0.770 316 P CB 0.400 31.554 31.700 -0.910 0.000 0.837 317 G N 0.097 108.613 108.800 -0.472 0.000 3.379 317 G HA2 -0.022 3.940 3.960 0.003 0.000 0.253 317 G HA3 -0.022 3.940 3.960 0.003 0.000 0.253 317 G C 1.162 175.923 174.900 -0.232 0.000 1.262 317 G CA -0.203 44.717 45.100 -0.301 0.000 0.959 317 G HN 0.048 nan 8.290 nan 0.000 0.524 318 M N 0.326 119.818 119.600 -0.180 0.000 2.115 318 M HA -0.066 4.415 4.480 0.003 0.000 0.258 318 M C 2.390 178.742 176.300 0.087 0.000 1.071 318 M CA 1.603 56.896 55.300 -0.012 0.000 1.100 318 M CB -0.697 31.972 32.600 0.115 0.000 1.292 318 M HN 0.311 nan 8.290 nan 0.000 0.415 319 L N -0.366 120.934 121.223 0.128 0.000 2.042 319 L HA -0.242 4.100 4.340 0.003 0.000 0.210 319 L C 2.453 179.283 176.870 -0.068 0.000 1.076 319 L CA 1.877 56.838 54.840 0.201 0.000 0.749 319 L CB -0.846 41.456 42.059 0.405 0.000 0.893 319 L HN 0.453 nan 8.230 nan 0.000 0.432 320 E N -0.205 119.634 120.200 -0.601 0.000 2.150 320 E HA -0.269 4.083 4.350 0.003 0.000 0.193 320 E C 2.214 178.651 176.600 -0.272 0.000 0.985 320 E CA 0.887 56.742 56.400 -0.908 0.000 0.814 320 E CB 0.077 29.138 29.700 -1.065 0.000 0.752 320 E HN 0.436 nan 8.360 nan 0.000 0.466 321 Q N -0.590 119.097 119.800 -0.187 0.000 2.050 321 Q HA -0.211 4.131 4.340 0.003 0.000 0.202 321 Q C 1.760 177.707 176.000 -0.089 0.000 0.980 321 Q CA 1.608 57.314 55.803 -0.162 0.000 0.840 321 Q CB -0.177 28.432 28.738 -0.216 0.000 0.898 321 Q HN 0.445 nan 8.270 nan 0.000 0.424 322 Y N -0.614 119.677 120.300 -0.014 0.000 2.165 322 Y HA -0.289 4.263 4.550 0.003 0.000 0.286 322 Y C 2.067 178.023 175.900 0.093 0.000 1.155 322 Y CA 1.570 59.700 58.100 0.051 0.000 1.164 322 Y CB -0.227 38.288 38.460 0.091 0.000 0.978 322 Y HN 0.271 nan 8.280 nan 0.000 0.513 323 F N 1.114 121.144 119.950 0.134 0.000 2.102 323 F HA -0.250 4.278 4.527 0.003 0.000 0.298 323 F C 1.968 177.765 175.800 -0.005 0.000 1.105 323 F CA 1.885 59.933 58.000 0.080 0.000 1.239 323 F CB -0.463 38.628 39.000 0.152 0.000 0.991 323 F HN 0.015 nan 8.300 nan 0.000 0.474 324 D N -0.032 120.318 120.400 -0.084 0.000 2.178 324 D HA -0.157 4.485 4.640 0.003 0.000 0.202 324 D C 2.424 178.653 176.300 -0.119 0.000 0.974 324 D CA 1.287 55.177 54.000 -0.184 0.000 0.841 324 D CB -0.315 40.429 40.800 -0.093 0.000 0.953 324 D HN 0.353 nan 8.370 nan 0.000 0.478 325 M N 0.603 120.180 119.600 -0.038 0.000 2.065 325 M HA -0.124 4.357 4.480 0.003 0.000 0.259 325 M C 2.440 178.861 176.300 0.203 0.000 1.071 325 M CA 1.328 56.700 55.300 0.120 0.000 1.109 325 M CB -0.482 32.177 32.600 0.097 0.000 1.313 325 M HN 0.061 nan 8.290 nan 0.000 0.408 326 I N -1.637 118.996 120.570 0.103 0.000 2.756 326 I HA -0.130 4.042 4.170 0.003 0.000 0.262 326 I C 1.713 177.778 176.117 -0.087 0.000 1.225 326 I CA 1.597 62.928 61.300 0.051 0.000 1.472 326 I CB -0.947 37.097 38.000 0.072 0.000 1.094 326 I HN 0.302 nan 8.210 nan 0.000 0.454 327 T N -0.961 113.444 114.554 -0.249 0.000 3.086 327 T HA 0.533 4.885 4.350 0.003 0.000 0.250 327 T C 0.947 175.478 174.700 -0.282 0.000 1.074 327 T CA 0.081 61.968 62.100 -0.355 0.000 0.988 327 T CB -0.288 68.162 68.868 -0.697 0.000 0.988 327 T HN 0.393 nan 8.240 nan 0.000 0.530 328 A N 1.331 124.083 122.820 -0.113 0.000 2.565 328 A HA 0.200 4.521 4.320 0.003 0.000 0.237 328 A C 0.789 178.332 177.584 -0.068 0.000 1.053 328 A CA 0.086 52.116 52.037 -0.012 0.000 0.755 328 A CB -0.097 18.997 19.000 0.156 0.000 0.980 328 A HN 0.629 nan 8.150 nan 0.000 0.506 329 H N 0.594 119.703 119.070 0.064 0.000 2.544 329 H HA 0.189 4.746 4.556 0.003 0.000 0.269 329 H C 0.888 176.272 175.328 0.093 0.000 0.970 329 H CA 1.233 57.324 56.048 0.072 0.000 1.219 329 H CB 0.254 30.049 29.762 0.056 0.000 1.421 329 H HN 0.775 nan 8.280 nan 0.000 0.555 330 S N -1.942 113.883 115.700 0.208 0.000 2.625 330 S HA 0.099 4.571 4.470 0.003 0.000 0.271 330 S C 0.333 175.068 174.600 0.225 0.000 1.161 330 S CA -0.911 57.409 58.200 0.201 0.000 0.820 330 S CB 0.597 63.889 63.200 0.154 0.000 1.137 330 S HN 0.023 nan 8.310 nan 0.000 0.470 331 F N 1.671 121.661 119.950 0.067 0.000 2.171 331 F HA 0.007 4.536 4.527 0.003 0.000 0.300 331 F C 1.703 177.491 175.800 -0.021 0.000 1.090 331 F CA 1.940 59.894 58.000 -0.077 0.000 1.293 331 F CB -0.571 38.345 39.000 -0.140 0.000 1.013 331 F HN 0.689 nan 8.300 nan 0.000 0.486 332 D N 0.532 120.885 120.400 -0.080 0.000 2.092 332 D HA -0.203 4.438 4.640 0.003 0.000 0.193 332 D C 1.910 178.101 176.300 -0.181 0.000 0.994 332 D CA 1.759 55.650 54.000 -0.181 0.000 0.828 332 D CB -0.535 40.237 40.800 -0.046 0.000 0.963 332 D HN 0.338 nan 8.370 nan 0.000 0.450 333 D N -0.176 120.189 120.400 -0.059 0.000 2.104 333 D HA -0.191 4.450 4.640 0.003 0.000 0.194 333 D C 2.021 178.268 176.300 -0.088 0.000 0.994 333 D CA 0.719 54.695 54.000 -0.041 0.000 0.830 333 D CB -0.575 40.256 40.800 0.052 0.000 0.959 333 D HN 0.289 nan 8.370 nan 0.000 0.452 334 Y N 2.110 122.289 120.300 -0.202 0.000 2.081 334 Y HA -0.241 4.311 4.550 0.003 0.000 0.280 334 Y C 2.165 177.851 175.900 -0.357 0.000 1.163 334 Y CA 1.871 59.826 58.100 -0.241 0.000 1.135 334 Y CB -0.284 38.023 38.460 -0.255 0.000 0.970 334 Y HN -0.028 nan 8.280 nan 0.000 0.498 335 E N -0.129 119.676 120.200 -0.658 0.000 2.110 335 E HA -0.217 4.134 4.350 0.003 0.000 0.193 335 E C 2.360 178.685 176.600 -0.458 0.000 0.988 335 E CA 0.904 56.889 56.400 -0.691 0.000 0.804 335 E CB -0.349 28.921 29.700 -0.717 0.000 0.745 335 E HN 0.607 nan 8.360 nan 0.000 0.458 336 A N 1.585 124.202 122.820 -0.338 0.000 1.902 336 A HA -0.137 4.185 4.320 0.003 0.000 0.217 336 A C 2.403 179.839 177.584 -0.246 0.000 1.181 336 A CA 1.763 53.658 52.037 -0.237 0.000 0.623 336 A CB -0.573 18.328 19.000 -0.165 0.000 0.818 336 A HN 0.297 nan 8.150 nan 0.000 0.443 337 A N -0.690 121.964 122.820 -0.276 0.000 1.877 337 A HA -0.158 4.164 4.320 0.003 0.000 0.216 337 A C 2.306 179.693 177.584 -0.328 0.000 1.186 337 A CA 1.962 53.839 52.037 -0.266 0.000 0.620 337 A CB -0.563 18.292 19.000 -0.242 0.000 0.822 337 A HN 0.596 nan 8.150 nan 0.000 0.443 338 M N -0.291 119.029 119.600 -0.467 0.000 2.213 338 M HA -0.120 4.362 4.480 0.003 0.000 0.263 338 M C 2.070 178.182 176.300 -0.314 0.000 1.062 338 M CA 1.486 56.516 55.300 -0.450 0.000 1.105 338 M CB -0.204 32.036 32.600 -0.600 0.000 1.385 338 M HN 0.421 nan 8.290 nan 0.000 0.417 339 A N 0.390 123.040 122.820 -0.283 0.000 2.125 339 A HA -0.149 4.173 4.320 0.003 0.000 0.219 339 A C 1.908 179.392 177.584 -0.167 0.000 1.156 339 A CA 1.256 53.171 52.037 -0.203 0.000 0.671 339 A CB -0.696 18.194 19.000 -0.183 0.000 0.794 339 A HN 0.609 nan 8.150 nan 0.000 0.459 340 R N -1.510 118.881 120.500 -0.182 0.000 2.285 340 R HA 0.007 4.348 4.340 0.003 0.000 0.213 340 R C 0.057 176.268 176.300 -0.150 0.000 1.068 340 R CA 0.613 56.618 56.100 -0.158 0.000 1.004 340 R CB -0.249 29.949 30.300 -0.171 0.000 0.873 340 R HN 0.379 nan 8.270 nan 0.000 0.467 341 M N 0.555 120.059 119.600 -0.159 0.000 2.360 341 M HA -0.225 4.257 4.480 0.003 0.000 0.202 341 M C -0.029 176.187 176.300 -0.140 0.000 0.390 341 M CA 0.901 56.118 55.300 -0.138 0.000 0.470 341 M CB -1.736 30.804 32.600 -0.100 0.000 1.637 341 M HN 0.205 nan 8.290 nan 0.000 0.885 342 Q N -0.871 118.829 119.800 -0.167 0.000 2.384 342 Q HA 0.295 4.637 4.340 0.003 0.000 0.207 342 Q C 0.683 176.611 176.000 -0.120 0.000 0.904 342 Q CA 0.414 56.115 55.803 -0.170 0.000 0.933 342 Q CB 0.906 29.521 28.738 -0.204 0.000 1.077 342 Q HN 0.521 nan 8.270 nan 0.000 0.522 343 V N 4.936 124.773 119.914 -0.127 0.000 2.334 343 V HA 0.113 4.234 4.120 0.003 0.000 0.267 343 V C -1.430 174.613 176.094 -0.085 0.000 1.040 343 V CA -1.075 61.186 62.300 -0.065 0.000 0.866 343 V CB 1.454 33.185 31.823 -0.153 0.000 1.019 343 V HN 0.063 nan 8.190 nan 0.000 0.468 344 P HA -0.022 nan 4.420 nan 0.000 0.236 344 P C 0.521 177.677 177.300 -0.240 0.000 1.172 344 P CA 1.006 64.035 63.100 -0.118 0.000 0.759 344 P CB 0.644 32.312 31.700 -0.054 0.000 0.843 345 T N -2.183 112.165 114.554 -0.342 0.000 2.661 345 T HA 0.488 4.840 4.350 0.003 0.000 0.303 345 T C -1.854 172.566 174.700 -0.467 0.000 1.658 345 T CA -0.468 61.316 62.100 -0.527 0.000 0.974 345 T CB -0.093 68.326 68.868 -0.748 0.000 1.857 345 T HN -0.060 nan 8.240 nan 0.000 0.475 346 F N 0.030 119.812 119.950 -0.280 0.000 2.183 346 F HA -0.085 4.444 4.527 0.003 0.000 0.319 346 F C 0.052 175.680 175.800 -0.287 0.000 1.295 346 F CA -0.841 57.013 58.000 -0.244 0.000 0.914 346 F CB -0.206 38.693 39.000 -0.169 0.000 4.132 346 F HN 0.541 nan 8.300 nan 0.000 0.141 347 N N 2.728 121.447 118.700 0.032 0.000 2.498 347 N HA 0.744 5.485 4.740 0.003 0.000 0.287 347 N C -0.754 174.759 175.510 0.005 0.000 1.097 347 N CA -0.281 52.748 53.050 -0.034 0.000 0.973 347 N CB 1.593 40.189 38.487 0.182 0.000 1.153 347 N HN 0.434 nan 8.380 nan 0.000 0.472 348 I N 1.342 121.872 120.570 -0.067 0.000 2.533 348 I HA 0.340 4.512 4.170 0.003 0.000 0.290 348 I C -0.496 175.685 176.117 0.107 0.000 1.056 348 I CA -0.960 60.357 61.300 0.027 0.000 1.057 348 I CB 2.183 40.199 38.000 0.027 0.000 1.240 348 I HN -0.041 nan 8.210 nan 0.000 0.423 349 V N 5.778 125.806 119.914 0.190 0.000 2.581 349 V HA 0.459 4.580 4.120 0.003 0.000 0.303 349 V C -1.086 175.166 176.094 0.263 0.000 1.041 349 V CA -0.730 61.728 62.300 0.263 0.000 0.907 349 V CB 2.107 34.104 31.823 0.290 0.000 0.994 349 V HN 0.615 nan 8.190 nan 0.000 0.442 350 Y N 2.464 122.813 120.300 0.082 0.000 2.576 350 Y HA 0.863 5.415 4.550 0.003 0.000 0.346 350 Y C -0.373 175.461 175.900 -0.111 0.000 1.018 350 Y CA -0.447 57.605 58.100 -0.080 0.000 1.050 350 Y CB 2.130 40.460 38.460 -0.217 0.000 1.280 350 Y HN 0.858 nan 8.280 nan 0.000 0.474 351 A N 3.456 125.791 122.820 -0.809 0.000 2.582 351 A HA 0.560 4.881 4.320 0.003 0.000 0.297 351 A C -2.163 174.633 177.584 -1.313 0.000 1.059 351 A CA -0.373 51.260 52.037 -0.675 0.000 0.705 351 A CB 1.212 20.038 19.000 -0.289 0.000 1.279 351 A HN 0.841 nan 8.150 nan 0.000 0.404 352 D N -0.467 119.364 120.400 -0.948 0.000 2.610 352 D HA 0.428 5.070 4.640 0.003 0.000 0.271 352 D C 0.732 176.716 176.300 -0.528 0.000 1.174 352 D CA -0.524 52.912 54.000 -0.940 0.000 0.949 352 D CB 0.656 41.187 40.800 -0.449 0.000 1.430 352 D HN 0.516 nan 8.370 nan 0.000 0.467 353 R N -0.503 119.827 120.500 -0.283 0.000 2.328 353 R HA 0.015 4.357 4.340 0.003 0.000 0.207 353 R C 0.191 176.477 176.300 -0.024 0.000 1.056 353 R CA 0.927 57.011 56.100 -0.026 0.000 1.016 353 R CB -0.316 30.030 30.300 0.077 0.000 0.872 353 R HN 0.311 nan 8.270 nan 0.000 0.471 354 E N 0.386 120.556 120.200 -0.051 0.000 2.442 354 E HA 0.104 4.456 4.350 0.003 0.000 0.195 354 E C 0.934 177.514 176.600 -0.033 0.000 1.030 354 E CA 0.927 57.318 56.400 -0.015 0.000 0.869 354 E CB 0.640 30.349 29.700 0.015 0.000 0.857 354 E HN 0.612 nan 8.360 nan 0.000 0.505 355 G N 0.111 108.871 108.800 -0.067 0.000 2.144 355 G HA2 -0.222 3.740 3.960 0.003 0.000 0.218 355 G HA3 -0.222 3.740 3.960 0.003 0.000 0.218 355 G C 0.292 175.139 174.900 -0.088 0.000 0.988 355 G CA 0.198 45.259 45.100 -0.065 0.000 0.659 355 G HN 0.208 nan 8.290 nan 0.000 0.522 356 T N 1.345 115.829 114.554 -0.116 0.000 2.795 356 T HA 0.652 5.004 4.350 0.003 0.000 0.282 356 T C 0.501 175.116 174.700 -0.143 0.000 0.980 356 T CA 0.176 62.165 62.100 -0.185 0.000 1.012 356 T CB 1.420 70.087 68.868 -0.336 0.000 0.936 356 T HN 0.939 nan 8.240 nan 0.000 0.457 357 I N 1.084 121.571 120.570 -0.139 0.000 2.740 357 I HA 0.862 5.034 4.170 0.003 0.000 0.303 357 I C -0.794 175.307 176.117 -0.028 0.000 1.044 357 I CA -1.016 60.272 61.300 -0.019 0.000 1.064 357 I CB 2.439 40.451 38.000 0.020 0.000 1.249 357 I HN 0.537 nan 8.210 nan 0.000 0.433 358 N N 2.626 121.401 118.700 0.125 0.000 2.405 358 N HA 0.470 5.212 4.740 0.003 0.000 0.274 358 N C -2.081 173.607 175.510 0.295 0.000 1.170 358 N CA -0.546 52.612 53.050 0.180 0.000 0.848 358 N CB 2.047 40.664 38.487 0.217 0.000 1.629 358 N HN 0.739 nan 8.380 nan 0.000 0.481 359 Y N 1.550 121.958 120.300 0.180 0.000 2.446 359 Y HA 0.760 5.311 4.550 0.003 0.000 0.345 359 Y C -1.415 174.598 175.900 0.189 0.000 0.984 359 Y CA -0.459 57.752 58.100 0.185 0.000 1.058 359 Y CB 1.905 40.463 38.460 0.162 0.000 1.220 359 Y HN 0.492 nan 8.280 nan 0.000 0.455 360 S N 6.101 121.287 115.700 -0.855 0.000 2.668 360 S HA 0.248 4.720 4.470 0.003 0.000 0.277 360 S C -1.612 172.565 174.600 -0.706 0.000 1.170 360 S CA -0.632 57.207 58.200 -0.601 0.000 0.994 360 S CB 0.630 63.701 63.200 -0.216 0.000 1.051 360 S HN 0.634 nan 8.310 nan 0.000 0.484 361 F N 5.219 124.791 119.950 -0.629 0.000 2.566 361 F HA 0.293 4.822 4.527 0.003 0.000 0.349 361 F C 0.547 176.209 175.800 -0.230 0.000 1.245 361 F CA -0.267 57.532 58.000 -0.334 0.000 1.169 361 F CB -0.165 38.718 39.000 -0.196 0.000 1.470 361 F HN 0.562 nan 8.300 nan 0.000 0.634 362 N N 3.287 121.774 118.700 -0.355 0.000 2.476 362 N HA 0.686 5.427 4.740 0.003 0.000 0.275 362 N C -0.141 175.162 175.510 -0.344 0.000 1.190 362 N CA 0.624 53.508 53.050 -0.275 0.000 0.977 362 N CB 1.657 40.020 38.487 -0.208 0.000 1.200 362 N HN 0.774 nan 8.380 nan 0.000 0.515 363 G N -0.262 108.398 108.800 -0.233 0.000 2.361 363 G HA2 0.077 4.039 3.960 0.003 0.000 0.305 363 G HA3 0.077 4.039 3.960 0.003 0.000 0.305 363 G C -1.879 172.938 174.900 -0.137 0.000 1.367 363 G CA -0.701 44.265 45.100 -0.225 0.000 0.951 363 G HN 0.405 nan 8.290 nan 0.000 0.615 364 V N 1.095 120.936 119.914 -0.122 0.000 2.293 364 V HA 0.680 4.801 4.120 0.003 0.000 0.275 364 V C 0.704 176.738 176.094 -0.100 0.000 1.021 364 V CA 0.091 62.342 62.300 -0.083 0.000 0.815 364 V CB 0.681 32.465 31.823 -0.066 0.000 1.025 364 V HN 1.612 nan 8.190 nan 0.000 0.448 365 A N 7.547 130.339 122.820 -0.047 0.000 2.292 365 A HA 0.864 5.186 4.320 0.003 0.000 0.319 365 A C -2.745 174.757 177.584 -0.137 0.000 1.206 365 A CA -1.905 50.092 52.037 -0.066 0.000 0.835 365 A CB 0.963 20.024 19.000 0.100 0.000 1.164 365 A HN 0.579 nan 8.150 nan 0.000 0.505 366 P HA 0.107 nan 4.420 nan 0.000 0.268 366 P C -0.531 176.462 177.300 -0.511 0.000 1.204 366 P CA 0.100 62.726 63.100 -0.789 0.000 0.768 366 P CB 0.477 30.997 31.700 -1.967 0.000 0.842 367 K N 4.102 124.280 120.400 -0.370 0.000 2.322 367 K HA 0.284 4.606 4.320 0.003 0.000 0.283 367 K C 0.331 176.802 176.600 -0.215 0.000 1.042 367 K CA 0.071 56.169 56.287 -0.315 0.000 0.958 367 K CB 0.650 32.945 32.500 -0.342 0.000 0.984 367 K HN 0.410 nan 8.250 nan 0.000 0.473 368 R N 0.511 120.912 120.500 -0.165 0.000 2.837 368 R HA 0.380 4.722 4.340 0.003 0.000 0.271 368 R C -0.145 176.284 176.300 0.215 0.000 0.993 368 R CA -0.489 55.520 56.100 -0.152 0.000 0.931 368 R CB 1.698 31.518 30.300 -0.801 0.000 1.206 368 R HN 0.666 nan 8.270 nan 0.000 0.474 369 A N 0.856 123.835 122.820 0.265 0.000 2.343 369 A HA 0.148 4.470 4.320 0.003 0.000 0.223 369 A C -0.194 177.568 177.584 0.296 0.000 1.214 369 A CA 0.337 52.531 52.037 0.260 0.000 0.900 369 A CB 0.040 19.146 19.000 0.177 0.000 0.942 369 A HN 0.742 nan 8.150 nan 0.000 0.507 370 E N -2.756 117.693 120.200 0.416 0.000 2.416 370 E HA 0.510 4.862 4.350 0.003 0.000 0.280 370 E C -0.156 176.752 176.600 0.514 0.000 1.055 370 E CA -0.808 55.805 56.400 0.354 0.000 0.825 370 E CB 0.659 30.475 29.700 0.193 0.000 1.312 370 E HN 1.365 nan 8.360 nan 0.000 0.452 371 G N 1.709 110.661 108.800 0.254 0.000 2.879 371 G HA2 0.016 3.977 3.960 0.003 0.000 0.686 371 G HA3 0.016 3.977 3.960 0.003 0.000 0.686 371 G C -0.781 174.458 174.900 0.565 0.000 1.115 371 G CA -0.198 45.009 45.100 0.177 0.000 0.770 371 G HN 0.929 nan 8.290 nan 0.000 0.601 372 D N 0.807 121.452 120.400 0.409 0.000 2.451 372 D HA 0.500 5.142 4.640 0.003 0.000 0.259 372 D C 1.897 178.538 176.300 0.568 0.000 1.201 372 D CA -0.475 53.788 54.000 0.440 0.000 1.028 372 D CB 0.636 41.594 40.800 0.264 0.000 1.095 372 D HN 0.574 nan 8.370 nan 0.000 0.539 373 I N -0.256 120.588 120.570 0.456 0.000 2.163 373 I HA -0.297 3.875 4.170 0.003 0.000 0.243 373 I C 2.113 178.420 176.117 0.317 0.000 1.085 373 I CA 1.820 63.371 61.300 0.419 0.000 1.347 373 I CB -0.275 37.909 38.000 0.307 0.000 1.044 373 I HN 0.516 nan 8.210 nan 0.000 0.408 374 A N 0.407 123.373 122.820 0.242 0.000 1.940 374 A HA -0.309 4.013 4.320 0.003 0.000 0.219 374 A C 2.182 179.838 177.584 0.120 0.000 1.176 374 A CA 1.985 54.117 52.037 0.160 0.000 0.631 374 A CB -1.185 17.898 19.000 0.139 0.000 0.814 374 A HN 0.642 nan 8.150 nan 0.000 0.446 375 F N -1.116 118.836 119.950 0.004 0.000 2.146 375 F HA -0.108 4.421 4.527 0.003 0.000 0.298 375 F C 1.774 177.404 175.800 -0.283 0.000 1.096 375 F CA 1.346 59.235 58.000 -0.186 0.000 1.275 375 F CB -0.449 38.369 39.000 -0.303 0.000 1.008 375 F HN 0.360 nan 8.300 nan 0.000 0.480 376 W N 0.684 121.940 121.300 -0.073 0.000 2.800 376 W HA 0.042 4.704 4.660 0.003 0.000 0.249 376 W C 1.990 178.398 176.519 -0.185 0.000 1.294 376 W CA 0.433 57.658 57.345 -0.200 0.000 1.402 376 W CB -0.303 29.153 29.460 -0.006 0.000 1.126 376 W HN 0.082 nan 8.180 nan 0.000 0.652 377 Q N -0.369 119.456 119.800 0.043 0.000 2.360 377 Q HA 0.157 4.498 4.340 0.003 0.000 0.202 377 Q C 1.236 177.194 176.000 -0.069 0.000 0.915 377 Q CA 0.216 56.031 55.803 0.020 0.000 0.943 377 Q CB 0.383 29.157 28.738 0.059 0.000 1.064 377 Q HN 0.176 nan 8.270 nan 0.000 0.511 378 G N 0.302 108.991 108.800 -0.186 0.000 2.795 378 G HA2 0.224 4.186 3.960 0.003 0.000 0.267 378 G HA3 0.224 4.186 3.960 0.003 0.000 0.267 378 G C -0.763 173.963 174.900 -0.290 0.000 1.362 378 G CA -0.813 44.163 45.100 -0.206 0.000 1.048 378 G HN 0.084 nan 8.290 nan 0.000 0.547 379 N N -0.079 118.475 118.700 -0.244 0.000 2.400 379 N HA 0.258 5.000 4.740 0.003 0.000 0.267 379 N C -0.260 175.024 175.510 -0.378 0.000 1.208 379 N CA -0.360 52.549 53.050 -0.235 0.000 0.951 379 N CB 0.874 39.285 38.487 -0.127 0.000 1.227 379 N HN 0.070 nan 8.380 nan 0.000 0.488 380 V N 4.702 124.311 119.914 -0.509 0.000 2.583 380 V HA 0.167 4.288 4.120 0.003 0.000 0.287 380 V C -1.892 174.035 176.094 -0.277 0.000 1.051 380 V CA -1.711 60.192 62.300 -0.663 0.000 1.010 380 V CB 1.041 32.373 31.823 -0.818 0.000 0.988 380 V HN 0.526 nan 8.190 nan 0.000 0.478 381 P HA 0.073 nan 4.420 nan 0.000 0.261 381 P C 0.576 178.021 177.300 0.241 0.000 1.183 381 P CA 0.423 63.506 63.100 -0.028 0.000 0.761 381 P CB 0.429 32.081 31.700 -0.079 0.000 0.785 382 G N 2.116 111.058 108.800 0.236 0.000 3.959 382 G HA2 0.113 4.075 3.960 0.003 0.000 0.298 382 G HA3 0.113 4.075 3.960 0.003 0.000 0.298 382 G C -0.014 175.169 174.900 0.471 0.000 1.211 382 G CA -0.287 44.950 45.100 0.227 0.000 1.001 382 G HN 0.484 nan 8.290 nan 0.000 0.561 383 D N -1.291 119.359 120.400 0.417 0.000 2.513 383 D HA 0.203 4.845 4.640 0.003 0.000 0.222 383 D C 0.451 176.825 176.300 0.124 0.000 1.210 383 D CA -0.379 53.833 54.000 0.354 0.000 0.825 383 D CB 0.573 41.509 40.800 0.225 0.000 1.037 383 D HN 0.053 nan 8.370 nan 0.000 0.506 384 S N -0.493 115.273 115.700 0.110 0.000 2.536 384 S HA 0.386 4.858 4.470 0.003 0.000 0.271 384 S C 0.594 175.067 174.600 -0.212 0.000 1.134 384 S CA -0.160 57.911 58.200 -0.215 0.000 0.897 384 S CB 1.452 64.664 63.200 0.020 0.000 1.094 384 S HN 0.071 nan 8.310 nan 0.000 0.473 385 S N 3.698 119.096 115.700 -0.503 0.000 2.603 385 S HA -0.039 4.432 4.470 0.003 0.000 0.229 385 S C 1.636 176.224 174.600 -0.020 0.000 0.972 385 S CA 0.540 58.681 58.200 -0.099 0.000 0.935 385 S CB -0.387 62.762 63.200 -0.084 0.000 0.769 385 S HN 0.765 nan 8.310 nan 0.000 0.536 386 R N 0.438 120.852 120.500 -0.144 0.000 2.120 386 R HA -0.077 4.265 4.340 0.003 0.000 0.234 386 R C 0.771 176.917 176.300 -0.257 0.000 1.123 386 R CA 1.406 57.328 56.100 -0.296 0.000 0.975 386 R CB -0.244 29.706 30.300 -0.584 0.000 0.866 386 R HN 0.632 nan 8.270 nan 0.000 0.446 387 Y N -0.344 120.175 120.300 0.365 0.000 2.485 387 Y HA 0.176 4.728 4.550 0.003 0.000 0.260 387 Y C 0.016 176.311 175.900 0.659 0.000 1.173 387 Y CA -0.703 57.768 58.100 0.619 0.000 1.252 387 Y CB 0.561 39.420 38.460 0.665 0.000 1.123 387 Y HN -0.012 nan 8.280 nan 0.000 0.524 388 L N 3.709 125.197 121.223 0.441 0.000 2.375 388 L HA 0.176 4.518 4.340 0.003 0.000 0.276 388 L C 0.248 177.181 176.870 0.105 0.000 1.162 388 L CA -1.037 53.913 54.840 0.184 0.000 0.991 388 L CB -0.506 41.608 42.059 0.091 0.000 1.315 388 L HN 0.171 nan 8.230 nan 0.000 0.431 389 W N 2.965 124.417 121.300 0.253 0.000 2.093 389 W HA 0.434 5.096 4.660 0.003 0.000 0.352 389 W C 0.238 176.799 176.519 0.070 0.000 1.294 389 W CA -0.048 57.353 57.345 0.094 0.000 1.290 389 W CB -0.087 29.351 29.460 -0.038 0.000 1.149 389 W HN 0.607 nan 8.180 nan 0.000 0.606 390 T N -3.623 111.153 114.554 0.370 0.000 3.100 390 T HA 0.124 4.476 4.350 0.003 0.000 0.255 390 T C 0.075 174.930 174.700 0.258 0.000 0.893 390 T CA -0.191 62.054 62.100 0.243 0.000 0.882 390 T CB 0.299 69.224 68.868 0.095 0.000 1.266 390 T HN 0.466 nan 8.240 nan 0.000 0.528 391 E N 2.344 122.655 120.200 0.186 0.000 2.250 391 E HA 0.557 4.909 4.350 0.003 0.000 0.269 391 E C -0.533 176.060 176.600 -0.010 0.000 1.018 391 E CA -0.554 55.886 56.400 0.067 0.000 0.873 391 E CB 1.789 31.488 29.700 -0.002 0.000 1.134 391 E HN 0.538 nan 8.360 nan 0.000 0.403 392 T N -1.721 112.798 114.554 -0.059 0.000 2.907 392 T HA 0.296 4.648 4.350 0.003 0.000 0.292 392 T C -0.145 174.478 174.700 -0.128 0.000 1.043 392 T CA -0.932 61.100 62.100 -0.114 0.000 1.003 392 T CB 1.156 69.993 68.868 -0.051 0.000 1.084 392 T HN 0.315 nan 8.240 nan 0.000 0.483 393 H N 1.752 120.807 119.070 -0.025 0.000 2.790 393 H HA 0.292 4.849 4.556 0.003 0.000 0.358 393 H C -2.196 173.122 175.328 -0.017 0.000 1.103 393 H CA -0.661 55.386 56.048 -0.002 0.000 1.426 393 H CB 0.686 30.462 29.762 0.024 0.000 1.424 393 H HN 0.447 nan 8.280 nan 0.000 0.599 394 P HA -0.020 nan 4.420 nan 0.000 0.279 394 P C 1.008 178.329 177.300 0.034 0.000 1.252 394 P CA -0.640 62.483 63.100 0.039 0.000 0.811 394 P CB 0.975 32.690 31.700 0.025 0.000 1.035 395 L N 1.550 122.761 121.223 -0.019 0.000 2.021 395 L HA -0.214 4.128 4.340 0.003 0.000 0.215 395 L C 1.146 178.006 176.870 -0.016 0.000 1.074 395 L CA 2.113 56.929 54.840 -0.040 0.000 0.760 395 L CB -1.147 40.857 42.059 -0.092 0.000 0.889 395 L HN 0.304 nan 8.230 nan 0.000 0.433 396 D N -0.549 119.847 120.400 -0.008 0.000 2.390 396 D HA -0.101 4.541 4.640 0.003 0.000 0.235 396 D C 0.975 177.292 176.300 0.029 0.000 1.040 396 D CA 0.643 54.647 54.000 0.007 0.000 0.923 396 D CB -0.051 40.749 40.800 0.000 0.000 0.886 396 D HN 0.497 nan 8.370 nan 0.000 0.532 397 D N -0.598 119.828 120.400 0.043 0.000 2.367 397 D HA 0.122 4.764 4.640 0.003 0.000 0.207 397 D C 0.570 176.884 176.300 0.022 0.000 1.034 397 D CA 0.086 54.114 54.000 0.046 0.000 0.861 397 D CB 0.755 41.628 40.800 0.123 0.000 0.943 397 D HN 0.185 nan 8.370 nan 0.000 0.515 398 L N 0.857 122.086 121.223 0.010 0.000 2.344 398 L HA 0.433 4.775 4.340 0.003 0.000 0.272 398 L C -2.223 174.591 176.870 -0.094 0.000 1.035 398 L CA -2.228 52.587 54.840 -0.042 0.000 0.807 398 L CB 0.970 43.050 42.059 0.036 0.000 1.237 398 L HN -0.359 nan 8.230 nan 0.000 0.442 399 P HA 0.132 nan 4.420 nan 0.000 0.262 399 P C -1.072 176.214 177.300 -0.023 0.000 1.199 399 P CA 0.368 63.163 63.100 -0.508 0.000 0.763 399 P CB 0.389 31.616 31.700 -0.789 0.000 0.790 400 R N 1.679 122.260 120.500 0.135 0.000 2.643 400 R HA 0.655 4.996 4.340 0.003 0.000 0.269 400 R C -1.573 174.976 176.300 0.415 0.000 1.037 400 R CA -1.005 55.251 56.100 0.260 0.000 0.894 400 R CB 2.046 32.413 30.300 0.112 0.000 1.238 400 R HN 0.116 nan 8.270 nan 0.000 0.459 401 V N 1.000 121.169 119.914 0.424 0.000 2.709 401 V HA 0.565 4.687 4.120 0.003 0.000 0.308 401 V C -0.620 175.599 176.094 0.209 0.000 1.062 401 V CA -0.694 61.795 62.300 0.315 0.000 0.901 401 V CB 2.346 34.335 31.823 0.275 0.000 1.003 401 V HN 0.811 nan 8.190 nan 0.000 0.425 402 T N 3.595 118.227 114.554 0.130 0.000 2.879 402 T HA 0.399 4.751 4.350 0.003 0.000 0.290 402 T C -0.062 174.634 174.700 -0.007 0.000 0.993 402 T CA -0.564 61.565 62.100 0.048 0.000 0.975 402 T CB 0.894 69.804 68.868 0.071 0.000 0.981 402 T HN 0.732 nan 8.240 nan 0.000 0.439 403 N N 2.435 121.104 118.700 -0.052 0.000 2.686 403 N HA -0.111 4.630 4.740 0.003 0.000 0.261 403 N C -2.164 173.322 175.510 -0.039 0.000 1.001 403 N CA 0.366 53.383 53.050 -0.054 0.000 0.764 403 N CB -0.816 37.632 38.487 -0.064 0.000 0.898 403 N HN 0.509 nan 8.380 nan 0.000 0.544 404 P HA 0.138 nan 4.420 nan 0.000 0.273 404 P C -1.641 175.617 177.300 -0.071 0.000 1.250 404 P CA -0.910 62.147 63.100 -0.072 0.000 0.793 404 P CB 0.460 32.082 31.700 -0.129 0.000 1.011 405 P HA -0.078 nan 4.420 nan 0.000 0.218 405 P C 1.696 178.974 177.300 -0.037 0.000 1.149 405 P CA 1.674 64.740 63.100 -0.056 0.000 0.817 405 P CB -0.490 31.167 31.700 -0.072 0.000 0.785 406 G N -0.640 108.124 108.800 -0.059 0.000 2.470 406 G HA2 -0.011 3.951 3.960 0.003 0.000 0.220 406 G HA3 -0.011 3.951 3.960 0.003 0.000 0.220 406 G C 1.172 176.161 174.900 0.148 0.000 1.121 406 G CA 0.748 45.872 45.100 0.039 0.000 0.766 406 G HN 0.474 nan 8.290 nan 0.000 0.553 407 G N -1.381 107.443 108.800 0.040 0.000 2.149 407 G HA2 0.044 4.006 3.960 0.003 0.000 0.235 407 G HA3 0.044 4.006 3.960 0.003 0.000 0.235 407 G C 0.121 175.144 174.900 0.204 0.000 1.018 407 G CA 0.434 45.590 45.100 0.093 0.000 0.728 407 G HN 1.748 nan 8.290 nan 0.000 0.508 408 F N -2.749 117.201 119.950 -0.000 0.000 2.878 408 F HA 0.690 5.219 4.527 0.003 0.000 0.322 408 F C -0.787 175.046 175.800 0.055 0.000 1.154 408 F CA -0.991 57.016 58.000 0.011 0.000 0.896 408 F CB 0.708 39.683 39.000 -0.041 0.000 1.313 408 F HN 0.937 nan 8.300 nan 0.000 0.451 409 V N 0.313 120.270 119.914 0.071 0.000 3.114 409 V HA 0.996 5.117 4.120 0.003 0.000 0.308 409 V C -1.485 174.839 176.094 0.383 0.000 1.168 409 V CA -0.532 61.782 62.300 0.024 0.000 1.015 409 V CB 1.465 33.363 31.823 0.125 0.000 1.050 409 V HN 1.637 nan 8.190 nan 0.000 0.433 410 Q N 1.182 121.163 119.800 0.302 0.000 2.647 410 Q HA 0.632 4.974 4.340 0.003 0.000 0.283 410 Q C -1.678 174.461 176.000 0.233 0.000 0.943 410 Q CA -0.537 55.540 55.803 0.458 0.000 0.813 410 Q CB 1.566 30.716 28.738 0.688 0.000 1.477 410 Q HN 1.039 nan 8.270 nan 0.000 0.393 411 N N 0.101 118.959 118.700 0.263 0.000 2.516 411 N HA 0.391 5.132 4.740 0.003 0.000 0.268 411 N C -1.532 174.062 175.510 0.139 0.000 1.096 411 N CA -0.315 52.827 53.050 0.154 0.000 0.954 411 N CB 2.067 40.669 38.487 0.193 0.000 1.676 411 N HN 0.617 nan 8.380 nan 0.000 0.490 412 S N 2.179 117.935 115.700 0.094 0.000 2.665 412 S HA 0.272 4.744 4.470 0.003 0.000 0.235 412 S C 0.060 174.676 174.600 0.027 0.000 1.084 412 S CA -0.441 57.789 58.200 0.050 0.000 1.151 412 S CB -0.562 62.702 63.200 0.107 0.000 1.151 412 S HN 0.809 nan 8.310 nan 0.000 0.461 413 N N 1.747 120.466 118.700 0.031 0.000 2.878 413 N HA -0.150 4.591 4.740 0.003 0.000 0.247 413 N C -0.722 174.778 175.510 -0.017 0.000 1.021 413 N CA 1.168 54.234 53.050 0.027 0.000 0.873 413 N CB -0.873 37.632 38.487 0.030 0.000 1.128 413 N HN 0.643 nan 8.380 nan 0.000 0.571 414 D N 0.067 120.421 120.400 -0.078 0.000 2.312 414 D HA 0.356 4.998 4.640 0.003 0.000 0.248 414 D C -2.505 173.627 176.300 -0.281 0.000 1.086 414 D CA -1.541 52.315 54.000 -0.240 0.000 0.948 414 D CB 0.324 40.870 40.800 -0.424 0.000 1.162 414 D HN -0.136 nan 8.370 nan 0.000 0.446 415 P HA 0.054 nan 4.420 nan 0.000 0.266 415 P C -1.729 175.205 177.300 -0.609 0.000 1.193 415 P CA -0.715 62.138 63.100 -0.411 0.000 0.770 415 P CB -0.025 31.551 31.700 -0.207 0.000 0.836 416 P HA -0.096 nan 4.420 nan 0.000 0.261 416 P C 0.193 177.264 177.300 -0.382 0.000 1.297 416 P CA 0.852 63.602 63.100 -0.584 0.000 0.757 416 P CB -0.411 30.981 31.700 -0.513 0.000 1.149 417 W N -0.189 121.220 121.300 0.182 0.000 2.800 417 W HA 0.072 4.734 4.660 0.003 0.000 0.249 417 W C 0.538 177.183 176.519 0.209 0.000 1.294 417 W CA 0.062 57.562 57.345 0.259 0.000 1.402 417 W CB -0.146 29.529 29.460 0.358 0.000 1.126 417 W HN -0.075 nan 8.180 nan 0.000 0.652 418 T N 0.613 115.366 114.554 0.333 0.000 3.741 418 T HA 0.083 4.434 4.350 0.003 0.000 0.242 418 T C -1.625 173.124 174.700 0.082 0.000 1.042 418 T CA -0.695 61.577 62.100 0.286 0.000 1.278 418 T CB 0.500 69.624 68.868 0.427 0.000 0.994 418 T HN -0.139 nan 8.240 nan 0.000 0.594 419 P HA 0.034 nan 4.420 nan 0.000 0.223 419 P C 0.595 177.769 177.300 -0.210 0.000 1.151 419 P CA 1.024 63.946 63.100 -0.297 0.000 0.787 419 P CB 0.481 31.830 31.700 -0.585 0.000 0.788 420 T N -2.258 112.194 114.554 -0.169 0.000 2.739 420 T HA 0.425 4.777 4.350 0.003 0.000 0.303 420 T C -2.657 172.088 174.700 0.074 0.000 1.389 420 T CA -0.722 61.146 62.100 -0.387 0.000 1.001 420 T CB 1.184 69.736 68.868 -0.527 0.000 1.436 420 T HN -0.023 nan 8.240 nan 0.000 0.500 421 W N 4.665 125.836 121.300 -0.215 0.000 2.756 421 W HA 0.427 5.089 4.660 0.003 0.000 0.333 421 W C -2.654 173.877 176.519 0.020 0.000 1.025 421 W CA -2.121 55.244 57.345 0.032 0.000 1.246 421 W CB 1.934 31.529 29.460 0.223 0.000 1.358 421 W HN 0.562 nan 8.180 nan 0.000 0.444 422 P HA 0.054 nan 4.420 nan 0.000 0.274 422 P C 0.196 177.311 177.300 -0.309 0.000 1.231 422 P CA 0.117 62.832 63.100 -0.641 0.000 0.790 422 P CB 1.565 32.931 31.700 -0.556 0.000 0.951 423 V N -0.086 119.664 119.914 -0.274 0.000 3.566 423 V HA 0.211 4.333 4.120 0.003 0.000 0.301 423 V C 1.172 177.144 176.094 -0.204 0.000 1.105 423 V CA 1.062 63.258 62.300 -0.174 0.000 1.142 423 V CB -0.629 31.135 31.823 -0.097 0.000 1.107 423 V HN 0.810 nan 8.190 nan 0.000 0.481 424 T N -2.043 112.358 114.554 -0.255 0.000 3.058 424 T HA 0.446 4.798 4.350 0.003 0.000 0.278 424 T C -0.103 174.625 174.700 0.047 0.000 0.974 424 T CA 0.498 62.537 62.100 -0.102 0.000 0.893 424 T CB -0.452 68.404 68.868 -0.021 0.000 1.138 424 T HN 1.452 nan 8.240 nan 0.000 0.529 425 Y N -0.717 119.650 120.300 0.112 0.000 2.895 425 Y HA 0.708 5.259 4.550 0.003 0.000 0.339 425 Y C -1.189 174.808 175.900 0.161 0.000 1.363 425 Y CA -2.231 55.951 58.100 0.137 0.000 1.085 425 Y CB 0.372 38.972 38.460 0.233 0.000 1.500 425 Y HN 0.419 nan 8.280 nan 0.000 0.442 426 C N -2.875 116.724 119.300 0.498 0.000 3.311 426 C HA 0.599 5.060 4.460 0.003 0.000 0.325 426 C C -2.162 172.804 174.990 -0.041 0.000 1.352 426 C CA -1.753 57.403 59.018 0.230 0.000 1.308 426 C CB 1.562 29.327 27.740 0.041 0.000 1.619 426 C HN 0.660 nan 8.230 nan 0.000 0.469 427 P HA -0.251 nan 4.420 nan 0.000 0.222 427 P C 1.724 178.801 177.300 -0.372 0.000 1.155 427 P CA 3.640 66.127 63.100 -1.022 0.000 0.890 427 P CB -0.072 31.054 31.700 -0.958 0.000 0.790 428 A N -0.923 121.765 122.820 -0.221 0.000 1.978 428 A HA -0.247 4.075 4.320 0.003 0.000 0.220 428 A C 1.878 179.386 177.584 -0.126 0.000 1.170 428 A CA 1.930 53.888 52.037 -0.133 0.000 0.636 428 A CB -1.641 17.302 19.000 -0.095 0.000 0.810 428 A HN 0.338 nan 8.150 nan 0.000 0.448 429 N N -0.976 117.641 118.700 -0.137 0.000 2.571 429 N HA -0.018 4.724 4.740 0.003 0.000 0.189 429 N C -0.192 174.960 175.510 -0.597 0.000 1.154 429 N CA 0.215 53.082 53.050 -0.306 0.000 0.907 429 N CB 0.040 38.343 38.487 -0.307 0.000 0.977 429 N HN 0.602 nan 8.380 nan 0.000 0.449 430 H N -0.582 118.421 119.070 -0.112 0.000 2.946 430 H HA 0.293 4.850 4.556 0.003 0.000 0.365 430 H C -2.443 172.773 175.328 -0.187 0.000 1.197 430 H CA -1.742 54.221 56.048 -0.143 0.000 1.131 430 H CB 1.410 31.112 29.762 -0.100 0.000 1.849 430 H HN -0.086 nan 8.280 nan 0.000 0.555 431 P HA -0.010 nan 4.420 nan 0.000 0.271 431 P C 0.725 177.803 177.300 -0.369 0.000 1.216 431 P CA -0.145 62.718 63.100 -0.395 0.000 0.771 431 P CB 0.812 32.025 31.700 -0.811 0.000 0.864 432 S N 1.811 117.399 115.700 -0.187 0.000 2.641 432 S HA -0.166 4.306 4.470 0.003 0.000 0.239 432 S C 1.117 175.791 174.600 0.123 0.000 0.972 432 S CA 0.393 58.593 58.200 0.001 0.000 0.954 432 S CB -1.267 61.978 63.200 0.076 0.000 0.767 432 S HN 0.593 nan 8.310 nan 0.000 0.539 433 Y N -1.128 119.282 120.300 0.183 0.000 2.467 433 Y HA 0.535 5.087 4.550 0.003 0.000 0.250 433 Y C 1.393 177.367 175.900 0.124 0.000 1.155 433 Y CA -1.245 56.980 58.100 0.208 0.000 1.249 433 Y CB -0.527 38.069 38.460 0.227 0.000 1.146 433 Y HN 0.128 nan 8.280 nan 0.000 0.524 434 L N 0.726 122.012 121.223 0.105 0.000 1.988 434 L HA 0.142 4.484 4.340 0.003 0.000 0.207 434 L C 1.232 178.185 176.870 0.139 0.000 1.071 434 L CA 1.192 56.091 54.840 0.098 0.000 0.744 434 L CB -0.395 41.562 42.059 -0.170 0.000 0.893 434 L HN 0.397 nan 8.230 nan 0.000 0.433 435 A N -1.708 121.149 122.820 0.062 0.000 2.532 435 A HA 0.711 5.032 4.320 0.003 0.000 0.290 435 A C -2.589 175.141 177.584 0.242 0.000 1.143 435 A CA -1.173 50.919 52.037 0.090 0.000 0.728 435 A CB 1.103 19.913 19.000 -0.317 0.000 1.317 435 A HN -0.121 nan 8.150 nan 0.000 0.414 436 P HA 0.494 nan 4.420 nan 0.000 0.280 436 P C -1.064 176.502 177.300 0.443 0.000 1.272 436 P CA -0.299 62.964 63.100 0.272 0.000 0.819 436 P CB 0.593 32.403 31.700 0.183 0.000 1.122 437 Q N -0.167 119.852 119.800 0.365 0.000 2.656 437 Q HA 0.243 4.585 4.340 0.003 0.000 0.389 437 Q C -0.580 175.589 176.000 0.282 0.000 0.883 437 Q CA -0.258 55.789 55.803 0.406 0.000 1.056 437 Q CB 0.422 29.300 28.738 0.233 0.000 1.391 437 Q HN 0.490 nan 8.270 nan 0.000 0.399 438 T N -3.102 111.576 114.554 0.205 0.000 2.952 438 T HA 0.565 4.916 4.350 0.003 0.000 0.286 438 T C -2.630 171.926 174.700 -0.240 0.000 1.024 438 T CA -2.574 59.555 62.100 0.047 0.000 1.029 438 T CB 1.377 70.269 68.868 0.040 0.000 1.094 438 T HN -0.082 nan 8.240 nan 0.000 0.515 439 P HA 0.053 nan 4.420 nan 0.000 0.261 439 P C -0.163 176.652 177.300 -0.808 0.000 1.183 439 P CA 0.147 62.513 63.100 -1.224 0.000 0.761 439 P CB -0.142 31.230 31.700 -0.547 0.000 0.785 440 H N 0.564 118.910 119.070 -1.206 0.000 2.764 440 H HA 0.139 4.697 4.556 0.003 0.000 0.341 440 H C 1.097 176.277 175.328 -0.247 0.000 1.072 440 H CA -0.682 55.111 56.048 -0.424 0.000 1.444 440 H CB 0.635 30.321 29.762 -0.127 0.000 1.458 440 H HN 0.474 nan 8.280 nan 0.000 0.572 441 S N 2.886 118.601 115.700 0.025 0.000 2.576 441 S HA -0.027 4.445 4.470 0.003 0.000 0.272 441 S C 1.469 176.146 174.600 0.128 0.000 1.352 441 S CA -0.702 57.540 58.200 0.071 0.000 1.021 441 S CB 0.618 63.874 63.200 0.094 0.000 0.887 441 S HN 0.593 nan 8.310 nan 0.000 0.542 442 L N 0.993 122.309 121.223 0.156 0.000 2.083 442 L HA -0.113 4.229 4.340 0.003 0.000 0.209 442 L C 3.038 180.031 176.870 0.205 0.000 1.083 442 L CA 1.887 56.837 54.840 0.184 0.000 0.752 442 L CB -0.598 41.588 42.059 0.212 0.000 0.899 442 L HN 0.852 nan 8.230 nan 0.000 0.433 443 R N 0.591 121.220 120.500 0.215 0.000 2.091 443 R HA -0.193 4.149 4.340 0.003 0.000 0.238 443 R C 2.329 178.803 176.300 0.289 0.000 1.136 443 R CA 1.560 57.813 56.100 0.257 0.000 0.959 443 R CB -0.263 30.154 30.300 0.195 0.000 0.856 443 R HN 0.309 nan 8.270 nan 0.000 0.437 444 A N 0.832 123.783 122.820 0.219 0.000 1.902 444 A HA -0.213 4.109 4.320 0.003 0.000 0.217 444 A C 2.088 179.812 177.584 0.233 0.000 1.181 444 A CA 1.561 53.730 52.037 0.219 0.000 0.623 444 A CB -0.479 18.600 19.000 0.132 0.000 0.818 444 A HN 0.555 nan 8.150 nan 0.000 0.443 445 Q N -1.091 118.836 119.800 0.211 0.000 2.084 445 Q HA -0.191 4.150 4.340 0.003 0.000 0.202 445 Q C 2.320 178.385 176.000 0.107 0.000 0.978 445 Q CA 1.323 57.222 55.803 0.159 0.000 0.844 445 Q CB -0.211 28.622 28.738 0.157 0.000 0.898 445 Q HN 0.586 nan 8.270 nan 0.000 0.426 446 Q N 0.127 120.016 119.800 0.149 0.000 2.135 446 Q HA -0.159 4.183 4.340 0.003 0.000 0.204 446 Q C 2.209 178.247 176.000 0.063 0.000 0.981 446 Q CA 1.299 57.167 55.803 0.108 0.000 0.856 446 Q CB -0.346 28.511 28.738 0.198 0.000 0.902 446 Q HN 0.251 nan 8.270 nan 0.000 0.425 447 S N -0.305 115.523 115.700 0.214 0.000 2.353 447 S HA -0.124 4.347 4.470 0.003 0.000 0.222 447 S C 2.020 176.679 174.600 0.099 0.000 1.035 447 S CA 1.457 59.833 58.200 0.294 0.000 1.025 447 S CB -0.109 63.437 63.200 0.576 0.000 0.902 447 S HN 0.218 nan 8.310 nan 0.000 0.440 448 V N 2.197 122.157 119.914 0.078 0.000 2.407 448 V HA -0.110 4.011 4.120 0.003 0.000 0.248 448 V C 2.683 178.647 176.094 -0.216 0.000 1.055 448 V CA 1.815 64.102 62.300 -0.022 0.000 1.049 448 V CB -0.717 31.083 31.823 -0.038 0.000 0.662 448 V HN 0.417 nan 8.190 nan 0.000 0.455 449 R N -0.243 120.142 120.500 -0.191 0.000 2.062 449 R HA -0.066 4.276 4.340 0.003 0.000 0.231 449 R C 2.334 178.460 176.300 -0.290 0.000 1.136 449 R CA 1.406 57.375 56.100 -0.217 0.000 0.948 449 R CB -0.520 29.693 30.300 -0.145 0.000 0.845 449 R HN 0.397 nan 8.270 nan 0.000 0.430 450 L N 0.200 121.226 121.223 -0.329 0.000 2.127 450 L HA -0.221 4.121 4.340 0.003 0.000 0.211 450 L C 2.569 179.052 176.870 -0.646 0.000 1.089 450 L CA 1.048 55.623 54.840 -0.442 0.000 0.757 450 L CB -0.303 41.474 42.059 -0.471 0.000 0.899 450 L HN 0.236 nan 8.230 nan 0.000 0.434 451 M N -0.694 118.395 119.600 -0.852 0.000 2.191 451 M HA -0.071 4.411 4.480 0.003 0.000 0.262 451 M C 2.743 178.500 176.300 -0.905 0.000 1.083 451 M CA 1.871 56.491 55.300 -1.133 0.000 1.154 451 M CB -1.045 30.483 32.600 -1.788 0.000 1.344 451 M HN 0.352 nan 8.290 nan 0.000 0.431 452 S N -0.103 115.149 115.700 -0.746 0.000 2.399 452 S HA -0.122 4.350 4.470 0.003 0.000 0.231 452 S C 1.649 176.161 174.600 -0.147 0.000 1.022 452 S CA 1.228 59.274 58.200 -0.256 0.000 0.983 452 S CB -0.548 62.701 63.200 0.082 0.000 0.803 452 S HN 0.513 nan 8.310 nan 0.000 0.480 453 E N 1.206 121.283 120.200 -0.204 0.000 2.358 453 E HA 0.144 4.495 4.350 0.003 0.000 0.195 453 E C 0.018 176.529 176.600 -0.148 0.000 1.010 453 E CA 0.085 56.400 56.400 -0.141 0.000 0.856 453 E CB 0.116 29.729 29.700 -0.144 0.000 0.795 453 E HN 0.543 nan 8.360 nan 0.000 0.504 454 N N 0.787 119.363 118.700 -0.207 0.000 2.430 454 N HA 0.225 4.966 4.740 0.003 0.000 0.298 454 N C -1.080 174.341 175.510 -0.149 0.000 1.130 454 N CA -0.268 52.676 53.050 -0.178 0.000 0.894 454 N CB 1.875 40.232 38.487 -0.218 0.000 1.209 454 N HN -0.078 nan 8.380 nan 0.000 0.503 455 D N -1.156 119.179 120.400 -0.107 0.000 2.579 455 D HA 0.198 4.840 4.640 0.003 0.000 0.257 455 D C -1.017 175.240 176.300 -0.072 0.000 1.176 455 D CA -0.218 53.734 54.000 -0.080 0.000 0.914 455 D CB 1.283 42.050 40.800 -0.056 0.000 1.431 455 D HN 0.529 nan 8.370 nan 0.000 0.454 456 D N 0.375 120.739 120.400 -0.061 0.000 2.751 456 D HA -0.185 4.457 4.640 0.003 0.000 0.233 456 D C -0.738 175.524 176.300 -0.063 0.000 1.149 456 D CA 0.537 54.504 54.000 -0.055 0.000 0.682 456 D CB -1.052 39.720 40.800 -0.047 0.000 1.068 456 D HN 0.346 nan 8.370 nan 0.000 0.429 457 L N -0.060 121.117 121.223 -0.076 0.000 2.483 457 L HA 0.265 4.606 4.340 0.003 0.000 0.275 457 L C 1.512 178.338 176.870 -0.074 0.000 1.220 457 L CA 0.990 55.786 54.840 -0.074 0.000 0.833 457 L CB 0.584 42.595 42.059 -0.080 0.000 1.102 457 L HN 0.309 nan 8.230 nan 0.000 0.490 458 T N -1.213 113.308 114.554 -0.055 0.000 2.926 458 T HA 0.324 4.675 4.350 0.003 0.000 0.289 458 T C 0.550 175.229 174.700 -0.035 0.000 1.054 458 T CA -0.908 61.159 62.100 -0.055 0.000 1.015 458 T CB 1.425 70.266 68.868 -0.044 0.000 1.167 458 T HN 0.375 nan 8.240 nan 0.000 0.526 459 L N 0.920 122.118 121.223 -0.042 0.000 2.017 459 L HA 0.047 4.389 4.340 0.003 0.000 0.208 459 L C 2.349 179.227 176.870 0.012 0.000 1.073 459 L CA 2.012 56.850 54.840 -0.003 0.000 0.745 459 L CB -1.344 40.714 42.059 -0.003 0.000 0.894 459 L HN 0.835 nan 8.230 nan 0.000 0.432 460 E N -0.617 119.553 120.200 -0.050 0.000 2.058 460 E HA -0.250 4.101 4.350 0.003 0.000 0.194 460 E C 2.310 178.844 176.600 -0.110 0.000 0.997 460 E CA 1.405 57.743 56.400 -0.104 0.000 0.801 460 E CB -0.330 29.317 29.700 -0.090 0.000 0.746 460 E HN 0.272 nan 8.360 nan 0.000 0.450 461 R N 0.148 120.608 120.500 -0.067 0.000 2.075 461 R HA -0.090 4.252 4.340 0.003 0.000 0.232 461 R C 1.961 178.209 176.300 -0.087 0.000 1.126 461 R CA 1.099 57.150 56.100 -0.082 0.000 0.963 461 R CB -0.959 29.304 30.300 -0.061 0.000 0.858 461 R HN 0.250 nan 8.270 nan 0.000 0.435 462 F N 0.483 120.317 119.950 -0.193 0.000 2.126 462 F HA -0.189 4.339 4.527 0.003 0.000 0.299 462 F C 1.922 177.596 175.800 -0.211 0.000 1.096 462 F CA 2.007 59.905 58.000 -0.169 0.000 1.255 462 F CB -0.225 38.704 39.000 -0.118 0.000 0.997 462 F HN 0.031 nan 8.300 nan 0.000 0.479 463 M N -0.392 119.015 119.600 -0.323 0.000 2.099 463 M HA -0.124 4.357 4.480 0.003 0.000 0.262 463 M C 2.502 178.063 176.300 -1.231 0.000 1.067 463 M CA 1.564 56.416 55.300 -0.748 0.000 1.124 463 M CB -0.881 31.333 32.600 -0.644 0.000 1.353 463 M HN 0.236 nan 8.290 nan 0.000 0.410 464 A N 0.854 123.198 122.820 -0.793 0.000 1.917 464 A HA -0.168 4.154 4.320 0.003 0.000 0.219 464 A C 2.117 179.405 177.584 -0.493 0.000 1.182 464 A CA 1.583 53.251 52.037 -0.614 0.000 0.633 464 A CB -1.095 17.770 19.000 -0.226 0.000 0.819 464 A HN 0.477 nan 8.150 nan 0.000 0.448 465 L N -0.870 120.122 121.223 -0.384 0.000 2.131 465 L HA -0.200 4.141 4.340 0.003 0.000 0.210 465 L C 2.830 179.597 176.870 -0.170 0.000 1.092 465 L CA 1.346 56.039 54.840 -0.244 0.000 0.759 465 L CB -0.472 41.432 42.059 -0.258 0.000 0.903 465 L HN 0.484 nan 8.230 nan 0.000 0.435 466 Q N 0.518 120.120 119.800 -0.331 0.000 2.224 466 Q HA -0.158 4.184 4.340 0.003 0.000 0.203 466 Q C 1.961 178.043 176.000 0.137 0.000 0.970 466 Q CA 1.523 57.233 55.803 -0.154 0.000 0.865 466 Q CB -0.062 28.427 28.738 -0.415 0.000 0.922 466 Q HN 0.575 nan 8.270 nan 0.000 0.445 467 F N 0.622 120.571 119.950 -0.001 0.000 2.802 467 F HA 0.065 4.593 4.527 0.003 0.000 0.300 467 F C 1.052 176.787 175.800 -0.108 0.000 1.168 467 F CA -0.779 57.208 58.000 -0.021 0.000 1.433 467 F CB 0.220 39.179 39.000 -0.067 0.000 1.115 467 F HN -0.204 nan 8.300 nan 0.000 0.582 468 S N 0.884 116.653 115.700 0.116 0.000 2.593 468 S HA -0.130 4.342 4.470 0.003 0.000 0.300 468 S C 0.368 175.081 174.600 0.189 0.000 1.267 468 S CA 0.102 58.335 58.200 0.056 0.000 1.065 468 S CB -0.383 62.875 63.200 0.096 0.000 0.807 468 S HN 0.507 nan 8.310 nan 0.000 0.499 469 H N 0.276 119.492 119.070 0.243 0.000 2.790 469 H HA 0.447 5.004 4.556 0.003 0.000 0.232 469 H C -0.054 175.442 175.328 0.281 0.000 1.313 469 H CA -0.971 55.267 56.048 0.317 0.000 1.011 469 H CB 0.184 30.148 29.762 0.337 0.000 2.105 469 H HN 0.296 nan 8.280 nan 0.000 0.580 470 R N 1.769 122.472 120.500 0.338 0.000 2.491 470 R HA 0.317 4.659 4.340 0.003 0.000 0.283 470 R C 0.126 176.455 176.300 0.047 0.000 1.072 470 R CA 0.210 56.363 56.100 0.087 0.000 1.048 470 R CB 0.565 30.891 30.300 0.043 0.000 0.983 470 R HN 0.543 nan 8.270 nan 0.000 0.450 471 A N 4.968 127.575 122.820 -0.356 0.000 3.202 471 A HA 0.180 4.502 4.320 0.003 0.000 0.258 471 A C 1.138 178.615 177.584 -0.179 0.000 1.572 471 A CA -0.497 51.335 52.037 -0.340 0.000 1.241 471 A CB -0.445 17.918 19.000 -1.061 0.000 1.127 471 A HN 0.705 nan 8.150 nan 0.000 0.648 472 V N 0.475 120.397 119.914 0.014 0.000 2.363 472 V HA -0.397 3.724 4.120 0.003 0.000 0.254 472 V C 2.557 178.728 176.094 0.128 0.000 1.074 472 V CA 2.780 65.113 62.300 0.055 0.000 1.069 472 V CB -0.913 30.986 31.823 0.127 0.000 0.659 472 V HN 0.920 nan 8.190 nan 0.000 0.455 473 M N 0.638 120.388 119.600 0.250 0.000 2.106 473 M HA -0.191 4.291 4.480 0.003 0.000 0.259 473 M C 2.034 178.578 176.300 0.406 0.000 1.068 473 M CA 2.391 57.953 55.300 0.437 0.000 1.100 473 M CB -0.550 32.426 32.600 0.627 0.000 1.351 473 M HN 0.279 nan 8.290 nan 0.000 0.404 474 A N -0.046 122.804 122.820 0.050 0.000 1.877 474 A HA -0.198 4.124 4.320 0.003 0.000 0.216 474 A C 1.909 179.435 177.584 -0.097 0.000 1.186 474 A CA 2.092 53.968 52.037 -0.269 0.000 0.620 474 A CB -1.188 17.255 19.000 -0.927 0.000 0.822 474 A HN 0.628 nan 8.150 nan 0.000 0.443 475 D N -0.502 119.840 120.400 -0.097 0.000 2.182 475 D HA -0.140 4.502 4.640 0.003 0.000 0.201 475 D C 1.887 178.283 176.300 0.160 0.000 0.986 475 D CA 0.945 54.941 54.000 -0.007 0.000 0.847 475 D CB -0.223 40.568 40.800 -0.015 0.000 0.942 475 D HN 0.294 nan 8.370 nan 0.000 0.467 476 R N -0.032 120.599 120.500 0.218 0.000 2.246 476 R HA 0.035 4.377 4.340 0.003 0.000 0.199 476 R C 2.024 178.364 176.300 0.066 0.000 0.984 476 R CA 0.859 57.134 56.100 0.292 0.000 1.015 476 R CB -0.280 30.254 30.300 0.391 0.000 0.930 476 R HN 0.371 nan 8.270 nan 0.000 0.475 477 T N -2.833 111.778 114.554 0.096 0.000 3.098 477 T HA 0.187 4.539 4.350 0.003 0.000 0.246 477 T C 2.076 176.705 174.700 -0.119 0.000 0.983 477 T CA -0.303 61.777 62.100 -0.033 0.000 1.094 477 T CB -0.326 68.536 68.868 -0.011 0.000 1.035 477 T HN -0.051 nan 8.240 nan 0.000 0.456 478 L N 1.563 122.733 121.223 -0.089 0.000 2.064 478 L HA -0.059 4.283 4.340 0.003 0.000 0.216 478 L C -0.541 176.269 176.870 -0.100 0.000 1.077 478 L CA 1.843 56.603 54.840 -0.134 0.000 0.766 478 L CB -1.840 40.151 42.059 -0.114 0.000 0.890 478 L HN 0.261 nan 8.230 nan 0.000 0.435 479 P HA -0.160 nan 4.420 nan 0.000 0.217 479 P C 0.820 178.109 177.300 -0.018 0.000 1.148 479 P CA 1.476 64.574 63.100 -0.003 0.000 0.828 479 P CB 0.036 31.786 31.700 0.084 0.000 0.783 480 D N -2.103 118.267 120.400 -0.050 0.000 2.277 480 D HA -0.001 4.641 4.640 0.003 0.000 0.209 480 D C 1.726 177.979 176.300 -0.077 0.000 0.970 480 D CA 0.319 54.292 54.000 -0.045 0.000 0.874 480 D CB -0.611 40.162 40.800 -0.045 0.000 0.982 480 D HN 0.029 nan 8.370 nan 0.000 0.504 481 L N 1.050 122.182 121.223 -0.152 0.000 2.007 481 L HA -0.084 4.258 4.340 0.003 0.000 0.205 481 L C 1.937 178.704 176.870 -0.172 0.000 1.073 481 L CA 1.216 55.923 54.840 -0.221 0.000 0.744 481 L CB -0.528 41.237 42.059 -0.491 0.000 0.898 481 L HN -0.116 nan 8.230 nan 0.000 0.435 482 I N 1.095 121.570 120.570 -0.159 0.000 2.074 482 I HA -0.268 3.903 4.170 0.003 0.000 0.238 482 I C -0.059 176.015 176.117 -0.071 0.000 1.037 482 I CA 2.349 63.584 61.300 -0.110 0.000 1.301 482 I CB -3.078 34.873 38.000 -0.082 0.000 1.016 482 I HN 0.292 nan 8.210 nan 0.000 0.400 483 P HA -0.189 nan 4.420 nan 0.000 0.214 483 P C 1.588 178.872 177.300 -0.027 0.000 1.163 483 P CA 2.525 65.606 63.100 -0.030 0.000 0.889 483 P CB -0.107 31.583 31.700 -0.018 0.000 0.790 484 A N 0.414 123.217 122.820 -0.028 0.000 1.978 484 A HA -0.087 4.235 4.320 0.003 0.000 0.220 484 A C 2.495 180.068 177.584 -0.019 0.000 1.170 484 A CA 2.313 54.341 52.037 -0.015 0.000 0.636 484 A CB -1.505 17.491 19.000 -0.007 0.000 0.810 484 A HN 0.290 nan 8.150 nan 0.000 0.448 485 A N -0.767 122.028 122.820 -0.042 0.000 2.016 485 A HA 0.193 4.515 4.320 0.003 0.000 0.217 485 A C 2.006 179.574 177.584 -0.028 0.000 1.162 485 A CA 0.972 52.985 52.037 -0.040 0.000 0.662 485 A CB -0.399 18.555 19.000 -0.077 0.000 0.812 485 A HN 0.451 nan 8.150 nan 0.000 0.450 486 L N 0.044 121.250 121.223 -0.028 0.000 2.291 486 L HA -0.045 4.297 4.340 0.003 0.000 0.214 486 L C 2.053 178.916 176.870 -0.011 0.000 1.120 486 L CA 0.925 55.752 54.840 -0.020 0.000 0.799 486 L CB -0.326 41.720 42.059 -0.021 0.000 0.925 486 L HN 0.641 nan 8.230 nan 0.000 0.446 487 I N -3.944 116.621 120.570 -0.008 0.000 3.735 487 I HA 0.084 4.255 4.170 0.003 0.000 0.310 487 I C 0.531 176.649 176.117 0.001 0.000 1.270 487 I CA -0.094 61.205 61.300 -0.002 0.000 1.207 487 I CB -0.297 37.704 38.000 0.001 0.000 1.013 487 I HN 0.043 nan 8.210 nan 0.000 0.452 488 D N 3.703 124.104 120.400 0.000 0.000 2.308 488 D HA 0.130 4.771 4.640 0.003 0.000 0.251 488 D C -1.299 175.003 176.300 0.004 0.000 1.127 488 D CA -1.685 52.318 54.000 0.005 0.000 0.876 488 D CB 1.905 42.709 40.800 0.007 0.000 1.176 488 D HN 0.033 nan 8.370 nan 0.000 0.446 489 P HA -0.149 nan 4.420 nan 0.000 0.217 489 P C 0.361 177.663 177.300 0.005 0.000 1.148 489 P CA 0.654 63.757 63.100 0.005 0.000 0.828 489 P CB 0.219 31.923 31.700 0.007 0.000 0.783 490 D N 1.211 121.615 120.400 0.007 0.000 2.346 490 D HA 0.022 4.664 4.640 0.003 0.000 0.260 490 D C -0.993 175.309 176.300 0.003 0.000 1.252 490 D CA -2.191 51.813 54.000 0.007 0.000 0.895 490 D CB 0.824 41.630 40.800 0.010 0.000 1.097 490 D HN 0.099 nan 8.370 nan 0.000 0.489 491 P HA -0.205 nan 4.420 nan 0.000 0.217 491 P C 1.147 178.446 177.300 -0.001 0.000 1.148 491 P CA 1.037 64.137 63.100 -0.001 0.000 0.828 491 P CB 0.369 32.069 31.700 -0.001 0.000 0.783 492 E N 0.063 120.264 120.200 0.002 0.000 2.150 492 E HA -0.101 4.250 4.350 0.003 0.000 0.193 492 E C 1.878 178.478 176.600 0.001 0.000 0.985 492 E CA 0.833 57.234 56.400 0.002 0.000 0.814 492 E CB -0.277 29.428 29.700 0.007 0.000 0.752 492 E HN -0.009 nan 8.360 nan 0.000 0.466 493 V N 1.042 120.957 119.914 0.003 0.000 2.379 493 V HA -0.242 3.880 4.120 0.003 0.000 0.245 493 V C 2.341 178.427 176.094 -0.013 0.000 1.044 493 V CA 1.958 64.257 62.300 -0.001 0.000 1.036 493 V CB -0.577 31.249 31.823 0.005 0.000 0.664 493 V HN 0.305 nan 8.190 nan 0.000 0.453 494 Q N 0.161 119.955 119.800 -0.011 0.000 2.084 494 Q HA -0.181 4.160 4.340 0.003 0.000 0.202 494 Q C 2.415 178.404 176.000 -0.018 0.000 0.978 494 Q CA 1.853 57.647 55.803 -0.016 0.000 0.844 494 Q CB -0.464 28.267 28.738 -0.011 0.000 0.898 494 Q HN 0.663 nan 8.270 nan 0.000 0.426 495 A N 0.982 123.794 122.820 -0.014 0.000 1.972 495 A HA -0.115 4.206 4.320 0.003 0.000 0.219 495 A C 2.261 179.833 177.584 -0.021 0.000 1.169 495 A CA 1.542 53.569 52.037 -0.015 0.000 0.635 495 A CB -0.684 18.309 19.000 -0.011 0.000 0.810 495 A HN 0.402 nan 8.150 nan 0.000 0.446 496 A N -0.180 122.628 122.820 -0.021 0.000 1.898 496 A HA 0.227 4.548 4.320 0.003 0.000 0.216 496 A C 2.483 180.043 177.584 -0.040 0.000 1.181 496 A CA 1.825 53.846 52.037 -0.026 0.000 0.620 496 A CB -0.934 18.055 19.000 -0.018 0.000 0.819 496 A HN 1.005 nan 8.150 nan 0.000 0.442 497 A N -0.129 122.663 122.820 -0.046 0.000 1.933 497 A HA -0.154 4.168 4.320 0.003 0.000 0.218 497 A C 2.253 179.813 177.584 -0.041 0.000 1.175 497 A CA 1.454 53.456 52.037 -0.059 0.000 0.628 497 A CB -0.438 18.526 19.000 -0.059 0.000 0.814 497 A HN 0.537 nan 8.150 nan 0.000 0.444 498 R N -1.234 119.247 120.500 -0.031 0.000 2.092 498 R HA -0.058 4.284 4.340 0.003 0.000 0.231 498 R C 2.119 178.408 176.300 -0.019 0.000 1.119 498 R CA 1.278 57.364 56.100 -0.023 0.000 0.970 498 R CB -0.562 29.726 30.300 -0.020 0.000 0.864 498 R HN 0.500 nan 8.270 nan 0.000 0.440 499 L N 1.297 122.505 121.223 -0.026 0.000 2.017 499 L HA -0.147 4.194 4.340 0.003 0.000 0.208 499 L C 1.995 178.852 176.870 -0.022 0.000 1.073 499 L CA 1.671 56.490 54.840 -0.034 0.000 0.745 499 L CB -0.376 41.652 42.059 -0.053 0.000 0.894 499 L HN 0.109 nan 8.230 nan 0.000 0.432 500 L N -0.607 120.607 121.223 -0.014 0.000 2.056 500 L HA -0.147 4.195 4.340 0.003 0.000 0.207 500 L C 2.601 179.519 176.870 0.079 0.000 1.078 500 L CA 1.128 55.993 54.840 0.041 0.000 0.749 500 L CB -0.899 41.171 42.059 0.018 0.000 0.901 500 L HN 0.384 nan 8.230 nan 0.000 0.433 501 A N -0.243 122.587 122.820 0.017 0.000 2.066 501 A HA 0.025 4.347 4.320 0.003 0.000 0.218 501 A C 2.298 179.890 177.584 0.014 0.000 1.157 501 A CA 1.326 53.362 52.037 -0.000 0.000 0.670 501 A CB -0.414 18.573 19.000 -0.022 0.000 0.804 501 A HN 0.384 nan 8.150 nan 0.000 0.453 502 A N -2.030 120.813 122.820 0.037 0.000 2.218 502 A HA 0.223 4.545 4.320 0.003 0.000 0.209 502 A C 0.565 178.208 177.584 0.098 0.000 1.168 502 A CA -0.280 51.780 52.037 0.037 0.000 0.804 502 A CB -0.337 18.675 19.000 0.019 0.000 0.834 502 A HN 0.623 nan 8.150 nan 0.000 0.482 503 W N 2.650 123.874 121.300 -0.127 0.000 2.216 503 W HA 0.324 4.985 4.660 0.003 0.000 0.326 503 W C 0.200 176.611 176.519 -0.179 0.000 1.319 503 W CA -0.585 56.661 57.345 -0.164 0.000 1.213 503 W CB 0.704 30.039 29.460 -0.208 0.000 1.171 503 W HN 0.406 nan 8.180 nan 0.000 0.557 504 D N 3.853 124.156 120.400 -0.162 0.000 2.363 504 D HA -0.122 4.520 4.640 0.003 0.000 0.226 504 D C 0.572 176.414 176.300 -0.763 0.000 1.020 504 D CA 0.242 54.029 54.000 -0.355 0.000 0.892 504 D CB -0.266 40.425 40.800 -0.181 0.000 0.900 504 D HN 0.651 nan 8.370 nan 0.000 0.531 505 R N -0.561 118.922 120.500 -1.696 0.000 3.651 505 R HA -0.111 4.231 4.340 0.003 0.000 0.292 505 R C -0.988 174.444 176.300 -1.446 0.000 1.161 505 R CA 0.917 55.757 56.100 -2.101 0.000 0.787 505 R CB -1.969 27.647 30.300 -1.140 0.000 1.249 505 R HN 0.310 nan 8.270 nan 0.000 0.476 506 D N -0.335 119.411 120.400 -1.091 0.000 2.646 506 D HA 0.193 4.834 4.640 0.003 0.000 0.245 506 D C -0.300 175.723 176.300 -0.461 0.000 1.099 506 D CA -0.570 53.081 54.000 -0.582 0.000 0.849 506 D CB 0.792 41.431 40.800 -0.268 0.000 1.448 506 D HN -0.057 nan 8.370 nan 0.000 0.489 507 F N 1.879 121.613 119.950 -0.361 0.000 2.678 507 F HA 0.075 4.604 4.527 0.003 0.000 0.358 507 F C 1.484 176.869 175.800 -0.691 0.000 1.256 507 F CA -0.241 57.433 58.000 -0.543 0.000 1.278 507 F CB -0.110 38.632 39.000 -0.431 0.000 1.681 507 F HN 0.019 nan 8.300 nan 0.000 0.661 508 T N -3.173 111.175 114.554 -0.344 0.000 2.927 508 T HA 0.215 4.567 4.350 0.003 0.000 0.281 508 T C 1.362 176.072 174.700 0.018 0.000 0.998 508 T CA -0.798 61.199 62.100 -0.171 0.000 1.019 508 T CB 1.698 70.518 68.868 -0.081 0.000 1.061 508 T HN 0.228 nan 8.240 nan 0.000 0.518 509 S N 1.208 116.964 115.700 0.094 0.000 2.370 509 S HA -0.150 4.322 4.470 0.003 0.000 0.226 509 S C 1.662 176.315 174.600 0.088 0.000 1.033 509 S CA 1.773 60.050 58.200 0.129 0.000 1.011 509 S CB -0.643 62.591 63.200 0.057 0.000 0.852 509 S HN 0.996 nan 8.310 nan 0.000 0.457 510 D N 1.074 121.499 120.400 0.041 0.000 2.363 510 D HA 0.068 4.710 4.640 0.003 0.000 0.220 510 D C 0.687 176.984 176.300 -0.005 0.000 0.994 510 D CA 0.119 54.127 54.000 0.013 0.000 0.890 510 D CB -0.484 40.321 40.800 0.007 0.000 0.906 510 D HN 0.173 nan 8.370 nan 0.000 0.530 511 S N 0.071 115.767 115.700 -0.007 0.000 2.596 511 S HA -0.002 4.470 4.470 0.003 0.000 0.298 511 S C 1.007 175.510 174.600 -0.161 0.000 1.255 511 S CA -0.337 57.801 58.200 -0.103 0.000 1.083 511 S CB 0.329 63.428 63.200 -0.169 0.000 0.837 511 S HN 0.225 nan 8.310 nan 0.000 0.499 512 R N 3.292 123.666 120.500 -0.210 0.000 2.300 512 R HA 0.171 4.512 4.340 0.003 0.000 0.199 512 R C 1.664 177.791 176.300 -0.287 0.000 0.920 512 R CA 0.730 56.716 56.100 -0.190 0.000 1.046 512 R CB 0.062 30.287 30.300 -0.124 0.000 0.984 512 R HN 0.686 nan 8.270 nan 0.000 0.493 513 A N 0.214 122.709 122.820 -0.542 0.000 2.167 513 A HA 0.293 4.614 4.320 0.003 0.000 0.208 513 A C 2.058 179.118 177.584 -0.874 0.000 1.198 513 A CA 0.589 52.225 52.037 -0.669 0.000 0.863 513 A CB 0.114 18.669 19.000 -0.741 0.000 0.904 513 A HN 0.228 nan 8.150 nan 0.000 0.484 514 A N 0.927 123.105 122.820 -1.070 0.000 1.869 514 A HA -0.196 4.126 4.320 0.003 0.000 0.218 514 A C 2.088 179.673 177.584 0.003 0.000 1.203 514 A CA 1.827 53.474 52.037 -0.650 0.000 0.638 514 A CB -0.920 17.880 19.000 -0.333 0.000 0.831 514 A HN 0.480 nan 8.150 nan 0.000 0.450 515 L N -1.249 120.001 121.223 0.044 0.000 1.990 515 L HA -0.235 4.107 4.340 0.003 0.000 0.213 515 L C 2.637 179.544 176.870 0.062 0.000 1.072 515 L CA 1.655 56.485 54.840 -0.015 0.000 0.755 515 L CB -0.784 41.019 42.059 -0.428 0.000 0.889 515 L HN 0.529 nan 8.230 nan 0.000 0.432 516 L N -0.437 120.788 121.223 0.005 0.000 2.013 516 L HA -0.273 4.069 4.340 0.003 0.000 0.212 516 L C 2.408 179.381 176.870 0.171 0.000 1.073 516 L CA 1.768 56.654 54.840 0.076 0.000 0.753 516 L CB -0.756 41.310 42.059 0.012 0.000 0.890 516 L HN 0.107 nan 8.230 nan 0.000 0.432 517 F N 0.784 120.747 119.950 0.020 0.000 2.069 517 F HA -0.240 4.289 4.527 0.003 0.000 0.298 517 F C 2.367 178.364 175.800 0.328 0.000 1.113 517 F CA 2.195 60.302 58.000 0.178 0.000 1.214 517 F CB -0.479 38.615 39.000 0.158 0.000 0.978 517 F HN 0.261 nan 8.300 nan 0.000 0.474 518 E N -0.168 120.207 120.200 0.293 0.000 2.065 518 E HA -0.265 4.086 4.350 0.003 0.000 0.201 518 E C 2.116 178.846 176.600 0.216 0.000 1.016 518 E CA 1.647 58.187 56.400 0.233 0.000 0.818 518 E CB -0.254 29.689 29.700 0.407 0.000 0.749 518 E HN 0.410 nan 8.360 nan 0.000 0.453 519 E N -0.137 120.200 120.200 0.229 0.000 2.160 519 E HA -0.203 4.149 4.350 0.003 0.000 0.195 519 E C 1.600 178.286 176.600 0.143 0.000 0.991 519 E CA 0.805 57.323 56.400 0.195 0.000 0.810 519 E CB -0.354 29.467 29.700 0.203 0.000 0.742 519 E HN 0.441 nan 8.360 nan 0.000 0.466 520 W N 1.578 122.853 121.300 -0.042 0.000 2.378 520 W HA -0.073 4.589 4.660 0.003 0.000 0.313 520 W C 2.415 178.891 176.519 -0.071 0.000 1.197 520 W CA 2.179 59.471 57.345 -0.087 0.000 1.304 520 W CB -0.527 28.824 29.460 -0.182 0.000 1.148 520 W HN 0.031 nan 8.180 nan 0.000 0.494 521 A N 0.830 123.509 122.820 -0.235 0.000 1.978 521 A HA -0.212 4.109 4.320 0.003 0.000 0.220 521 A C 1.997 179.631 177.584 0.083 0.000 1.170 521 A CA 1.843 53.736 52.037 -0.240 0.000 0.636 521 A CB -0.762 18.084 19.000 -0.257 0.000 0.810 521 A HN 0.438 nan 8.150 nan 0.000 0.448 522 R N -0.740 119.872 120.500 0.186 0.000 2.120 522 R HA -0.050 4.292 4.340 0.003 0.000 0.234 522 R C 1.788 178.012 176.300 -0.126 0.000 1.123 522 R CA 1.503 57.612 56.100 0.015 0.000 0.975 522 R CB -0.374 29.908 30.300 -0.030 0.000 0.866 522 R HN 0.549 nan 8.270 nan 0.000 0.446 523 L N -1.334 119.780 121.223 -0.181 0.000 2.249 523 L HA 0.006 4.348 4.340 0.003 0.000 0.207 523 L C 2.021 178.718 176.870 -0.287 0.000 1.090 523 L CA 0.357 55.069 54.840 -0.213 0.000 0.802 523 L CB -0.215 41.734 42.059 -0.184 0.000 0.947 523 L HN 0.089 nan 8.230 nan 0.000 0.453 524 F N 1.053 120.604 119.950 -0.665 0.000 2.293 524 F HA 0.094 4.623 4.527 0.003 0.000 0.297 524 F C 1.752 177.293 175.800 -0.431 0.000 1.089 524 F CA 0.909 58.465 58.000 -0.739 0.000 1.377 524 F CB 0.175 38.267 39.000 -1.512 0.000 1.051 524 F HN -0.067 nan 8.300 nan 0.000 0.511 525 A N 0.147 122.806 122.820 -0.269 0.000 2.616 525 A HA 0.596 4.917 4.320 0.003 0.000 0.294 525 A C 0.705 178.238 177.584 -0.085 0.000 1.091 525 A CA 0.200 52.134 52.037 -0.172 0.000 0.971 525 A CB -0.952 18.125 19.000 0.128 0.000 1.222 525 A HN 0.862 nan 8.150 nan 0.000 0.521 526 G N -0.582 108.125 108.800 -0.155 0.000 2.787 526 G HA2 -0.179 3.782 3.960 0.003 0.000 0.685 526 G HA3 -0.179 3.782 3.960 0.003 0.000 0.685 526 G C 0.359 175.100 174.900 -0.265 0.000 1.437 526 G CA -0.098 44.902 45.100 -0.166 0.000 0.872 526 G HN 0.181 nan 8.290 nan 0.000 0.566 527 Q N 0.500 120.125 119.800 -0.291 0.000 2.234 527 Q HA -0.151 4.191 4.340 0.003 0.000 0.206 527 Q C 2.329 177.910 176.000 -0.698 0.000 0.980 527 Q CA 2.173 57.712 55.803 -0.440 0.000 0.869 527 Q CB -0.193 28.381 28.738 -0.273 0.000 0.912 527 Q HN 0.849 nan 8.270 nan 0.000 0.436 528 N N -1.103 117.318 118.700 -0.465 0.000 2.336 528 N HA -0.055 4.687 4.740 0.003 0.000 0.189 528 N C 0.025 175.395 175.510 -0.233 0.000 1.113 528 N CA 0.018 52.843 53.050 -0.376 0.000 0.858 528 N CB -0.424 37.984 38.487 -0.132 0.000 0.970 528 N HN 0.195 nan 8.380 nan 0.000 0.471 529 F N -2.097 117.831 119.950 -0.036 0.000 2.884 529 F HA -0.290 4.239 4.527 0.003 0.000 0.294 529 F C 1.185 177.031 175.800 0.077 0.000 0.723 529 F CA 0.237 58.249 58.000 0.019 0.000 1.294 529 F CB -1.576 37.453 39.000 0.048 0.000 1.551 529 F HN 0.305 nan 8.300 nan 0.000 0.363 530 A N 0.331 123.253 122.820 0.170 0.000 2.303 530 A HA 0.528 4.850 4.320 0.003 0.000 0.217 530 A C 1.547 179.199 177.584 0.115 0.000 1.205 530 A CA 0.569 52.690 52.037 0.140 0.000 0.875 530 A CB -0.342 18.707 19.000 0.081 0.000 0.910 530 A HN 0.493 nan 8.150 nan 0.000 0.501 531 G N -0.526 108.316 108.800 0.070 0.000 2.353 531 G HA2 0.315 4.277 3.960 0.003 0.000 0.239 531 G HA3 0.315 4.277 3.960 0.003 0.000 0.239 531 G C 0.416 175.382 174.900 0.110 0.000 1.295 531 G CA -0.133 44.977 45.100 0.017 0.000 0.884 531 G HN 0.267 nan 8.290 nan 0.000 0.537 532 Q N 1.661 121.531 119.800 0.116 0.000 2.353 532 Q HA 0.112 4.454 4.340 0.003 0.000 0.240 532 Q C 2.553 178.666 176.000 0.190 0.000 0.868 532 Q CA 0.562 56.534 55.803 0.282 0.000 0.944 532 Q CB 0.313 29.173 28.738 0.204 0.000 1.104 532 Q HN 0.698 nan 8.270 nan 0.000 0.531 533 A N 1.163 123.986 122.820 0.005 0.000 2.194 533 A HA -0.066 4.256 4.320 0.003 0.000 0.220 533 A C 1.867 179.368 177.584 -0.138 0.000 1.162 533 A CA 1.700 53.709 52.037 -0.047 0.000 0.674 533 A CB -0.232 18.722 19.000 -0.078 0.000 0.789 533 A HN 0.267 nan 8.150 nan 0.000 0.470 534 A N -1.778 120.815 122.820 -0.379 0.000 2.348 534 A HA 0.560 4.882 4.320 0.003 0.000 0.224 534 A C 0.194 177.588 177.584 -0.315 0.000 1.227 534 A CA -0.483 51.221 52.037 -0.556 0.000 0.885 534 A CB -0.046 18.119 19.000 -1.392 0.000 0.933 534 A HN 0.289 nan 8.150 nan 0.000 0.506 535 F N -1.323 118.657 119.950 0.049 0.000 2.371 535 F HA 0.510 5.039 4.527 0.003 0.000 0.329 535 F C 1.539 177.418 175.800 0.131 0.000 1.107 535 F CA 0.081 58.190 58.000 0.182 0.000 1.137 535 F CB 1.291 40.402 39.000 0.186 0.000 1.214 535 F HN 0.079 nan 8.300 nan 0.000 0.536 536 A N 0.814 123.824 122.820 0.316 0.000 1.898 536 A HA 0.044 4.365 4.320 0.003 0.000 0.214 536 A C 0.893 178.610 177.584 0.221 0.000 1.183 536 A CA 0.968 53.134 52.037 0.214 0.000 0.622 536 A CB -0.533 18.567 19.000 0.168 0.000 0.824 536 A HN 0.629 nan 8.150 nan 0.000 0.444 537 T N 2.782 117.497 114.554 0.267 0.000 2.756 537 T HA 0.469 4.821 4.350 0.003 0.000 0.290 537 T C -2.742 172.075 174.700 0.195 0.000 0.985 537 T CA -1.220 61.008 62.100 0.214 0.000 0.955 537 T CB 1.724 70.732 68.868 0.233 0.000 0.930 537 T HN 0.217 nan 8.240 nan 0.000 0.451 538 P HA 0.064 nan 4.420 nan 0.000 0.272 538 P C -0.290 177.089 177.300 0.131 0.000 1.230 538 P CA -0.663 62.532 63.100 0.158 0.000 0.788 538 P CB 0.910 32.695 31.700 0.141 0.000 0.949 539 W N 2.200 123.491 121.300 -0.016 0.000 2.148 539 W HA 0.281 4.942 4.660 0.003 0.000 0.347 539 W C -0.065 176.445 176.519 -0.015 0.000 1.288 539 W CA 1.156 58.478 57.345 -0.038 0.000 1.252 539 W CB 0.477 29.910 29.460 -0.046 0.000 1.156 539 W HN 0.345 nan 8.180 nan 0.000 0.580 540 S N 5.035 120.076 115.700 -1.099 0.000 2.546 540 S HA 0.212 4.683 4.470 0.003 0.000 0.272 540 S C -0.187 173.478 174.600 -1.558 0.000 1.140 540 S CA -0.841 56.774 58.200 -0.975 0.000 0.920 540 S CB 1.114 64.039 63.200 -0.458 0.000 1.083 540 S HN 0.647 nan 8.310 nan 0.000 0.476 541 L N 3.369 123.899 121.223 -1.155 0.000 2.456 541 L HA 0.206 4.547 4.340 0.003 0.000 0.224 541 L C 1.345 178.013 176.870 -0.337 0.000 1.148 541 L CA 1.863 56.273 54.840 -0.716 0.000 0.825 541 L CB -0.409 41.537 42.059 -0.189 0.000 0.937 541 L HN 0.741 nan 8.230 nan 0.000 0.450 542 D N -0.151 120.062 120.400 -0.313 0.000 2.289 542 D HA -0.037 4.604 4.640 0.003 0.000 0.207 542 D C 0.612 176.846 176.300 -0.109 0.000 0.966 542 D CA 0.791 54.709 54.000 -0.137 0.000 0.868 542 D CB 0.255 40.984 40.800 -0.118 0.000 0.943 542 D HN 0.362 nan 8.370 nan 0.000 0.514 543 K N 0.895 121.143 120.400 -0.253 0.000 3.146 543 K HA 0.149 4.471 4.320 0.003 0.000 0.168 543 K C -2.018 174.388 176.600 -0.324 0.000 1.075 543 K CA -1.019 55.148 56.287 -0.201 0.000 0.843 543 K CB 2.290 34.684 32.500 -0.175 0.000 1.002 543 K HN -0.096 nan 8.250 nan 0.000 0.597 544 P HA -0.153 nan 4.420 nan 0.000 0.221 544 P C 0.931 178.256 177.300 0.041 0.000 1.145 544 P CA 1.242 64.235 63.100 -0.179 0.000 0.795 544 P CB 0.133 31.781 31.700 -0.087 0.000 0.775 545 V N -3.587 116.270 119.914 -0.095 0.000 3.176 545 V HA 0.350 4.472 4.120 0.003 0.000 0.332 545 V C 1.062 177.146 176.094 -0.017 0.000 1.414 545 V CA 0.583 62.860 62.300 -0.039 0.000 1.133 545 V CB -0.547 31.178 31.823 -0.163 0.000 1.088 545 V HN 0.169 nan 8.190 nan 0.000 0.473 546 S N -0.685 115.001 115.700 -0.023 0.000 2.960 546 S HA 0.341 4.813 4.470 0.003 0.000 0.256 546 S C 0.557 175.172 174.600 0.025 0.000 1.017 546 S CA 0.393 58.586 58.200 -0.012 0.000 1.144 546 S CB 0.235 63.399 63.200 -0.061 0.000 1.109 546 S HN 0.924 nan 8.310 nan 0.000 0.638 547 T N -0.047 114.533 114.554 0.044 0.000 2.896 547 T HA 0.711 5.063 4.350 0.003 0.000 0.297 547 T C -3.493 171.351 174.700 0.240 0.000 1.108 547 T CA -2.116 60.026 62.100 0.069 0.000 1.004 547 T CB 2.157 70.964 68.868 -0.101 0.000 1.159 547 T HN -0.053 nan 8.240 nan 0.000 0.499 548 P HA 0.325 nan 4.420 nan 0.000 0.274 548 P C -1.540 175.740 177.300 -0.033 0.000 1.256 548 P CA -0.299 62.729 63.100 -0.120 0.000 0.795 548 P CB 0.555 31.944 31.700 -0.518 0.000 1.038 549 Y N -0.695 119.644 120.300 0.065 0.000 2.562 549 Y HA 0.497 5.049 4.550 0.003 0.000 0.345 549 Y C 0.112 176.244 175.900 0.387 0.000 1.045 549 Y CA 0.686 58.922 58.100 0.227 0.000 1.028 549 Y CB 1.602 40.137 38.460 0.125 0.000 1.297 549 Y HN 0.985 nan 8.280 nan 0.000 0.463 550 G N 1.301 109.532 108.800 -0.947 0.000 2.855 550 G HA2 -0.054 3.907 3.960 0.003 0.000 0.352 550 G HA3 -0.054 3.907 3.960 0.003 0.000 0.352 550 G C -1.992 172.915 174.900 0.011 0.000 1.415 550 G CA -0.516 44.230 45.100 -0.590 0.000 0.871 550 G HN 1.123 nan 8.290 nan 0.000 0.543 551 V N 1.246 121.169 119.914 0.014 0.000 2.384 551 V HA 0.482 4.604 4.120 0.003 0.000 0.287 551 V C 1.617 177.794 176.094 0.137 0.000 1.020 551 V CA 0.254 62.636 62.300 0.137 0.000 0.850 551 V CB 1.354 33.232 31.823 0.092 0.000 0.987 551 V HN 0.970 nan 8.190 nan 0.000 0.436 552 R N 2.497 123.092 120.500 0.158 0.000 2.066 552 R HA -0.070 4.271 4.340 0.003 0.000 0.232 552 R C 0.535 176.895 176.300 0.099 0.000 1.131 552 R CA 1.526 57.697 56.100 0.118 0.000 0.955 552 R CB 0.288 30.645 30.300 0.095 0.000 0.851 552 R HN 0.791 nan 8.270 nan 0.000 0.432 553 D N -0.241 120.226 120.400 0.113 0.000 2.412 553 D HA 0.142 4.784 4.640 0.003 0.000 0.276 553 D C -1.890 174.479 176.300 0.115 0.000 1.196 553 D CA -2.132 51.925 54.000 0.096 0.000 0.905 553 D CB 1.555 42.401 40.800 0.077 0.000 1.081 553 D HN 0.038 nan 8.370 nan 0.000 0.502 554 P HA -0.238 nan 4.420 nan 0.000 0.217 554 P C 1.173 178.523 177.300 0.083 0.000 1.151 554 P CA 1.310 64.460 63.100 0.083 0.000 0.849 554 P CB 0.342 32.071 31.700 0.048 0.000 0.787 555 K N 0.347 120.789 120.400 0.070 0.000 2.026 555 K HA -0.053 4.268 4.320 0.003 0.000 0.208 555 K C 2.413 179.061 176.600 0.081 0.000 1.048 555 K CA 1.540 57.864 56.287 0.062 0.000 0.929 555 K CB -1.230 31.299 32.500 0.048 0.000 0.713 555 K HN -0.023 nan 8.250 nan 0.000 0.439 556 A N 2.150 125.023 122.820 0.089 0.000 1.877 556 A HA -0.059 4.263 4.320 0.003 0.000 0.216 556 A C 2.582 180.255 177.584 0.149 0.000 1.186 556 A CA 1.904 53.997 52.037 0.094 0.000 0.620 556 A CB -0.979 18.067 19.000 0.077 0.000 0.822 556 A HN 0.438 nan 8.150 nan 0.000 0.443 557 A N -0.711 122.237 122.820 0.214 0.000 2.024 557 A HA -0.012 4.310 4.320 0.003 0.000 0.220 557 A C 2.145 179.953 177.584 0.374 0.000 1.164 557 A CA 1.852 54.116 52.037 0.378 0.000 0.643 557 A CB -0.741 18.526 19.000 0.445 0.000 0.806 557 A HN 0.418 nan 8.150 nan 0.000 0.451 558 V N 0.057 120.088 119.914 0.194 0.000 2.591 558 V HA -0.154 3.967 4.120 0.003 0.000 0.249 558 V C 1.994 178.170 176.094 0.136 0.000 1.053 558 V CA 1.895 64.271 62.300 0.127 0.000 1.068 558 V CB -0.583 31.276 31.823 0.060 0.000 0.689 558 V HN 0.480 nan 8.190 nan 0.000 0.462 559 D N -0.117 120.357 120.400 0.124 0.000 2.144 559 D HA -0.162 4.480 4.640 0.003 0.000 0.200 559 D C 2.315 178.688 176.300 0.121 0.000 0.978 559 D CA 1.110 55.168 54.000 0.097 0.000 0.833 559 D CB -0.087 40.755 40.800 0.070 0.000 0.961 559 D HN 0.516 nan 8.370 nan 0.000 0.470 560 Q N -0.027 119.874 119.800 0.167 0.000 2.084 560 Q HA -0.141 4.200 4.340 0.003 0.000 0.202 560 Q C 2.230 178.395 176.000 0.275 0.000 0.978 560 Q CA 0.672 56.569 55.803 0.157 0.000 0.844 560 Q CB -0.106 28.693 28.738 0.101 0.000 0.898 560 Q HN 0.179 nan 8.270 nan 0.000 0.426 561 L N 0.972 122.452 121.223 0.428 0.000 2.093 561 L HA -0.157 4.185 4.340 0.003 0.000 0.208 561 L C 2.335 179.316 176.870 0.185 0.000 1.085 561 L CA 1.673 56.742 54.840 0.382 0.000 0.755 561 L CB -0.434 41.700 42.059 0.124 0.000 0.904 561 L HN 0.052 nan 8.230 nan 0.000 0.435 562 R N -1.149 119.431 120.500 0.132 0.000 2.080 562 R HA -0.183 4.159 4.340 0.003 0.000 0.236 562 R C 2.040 178.388 176.300 0.079 0.000 1.137 562 R CA 2.296 58.446 56.100 0.083 0.000 0.943 562 R CB -0.506 29.833 30.300 0.065 0.000 0.846 562 R HN 0.425 nan 8.270 nan 0.000 0.431 563 T N 0.530 115.134 114.554 0.084 0.000 2.708 563 T HA -0.097 4.255 4.350 0.003 0.000 0.266 563 T C 1.813 176.558 174.700 0.075 0.000 1.037 563 T CA 1.328 63.466 62.100 0.063 0.000 1.146 563 T CB -0.345 68.551 68.868 0.047 0.000 0.865 563 T HN 0.469 nan 8.240 nan 0.000 0.435 564 A N 1.059 123.947 122.820 0.115 0.000 1.978 564 A HA -0.074 4.247 4.320 0.003 0.000 0.220 564 A C 2.274 179.931 177.584 0.122 0.000 1.170 564 A CA 1.287 53.405 52.037 0.134 0.000 0.636 564 A CB -0.861 18.276 19.000 0.229 0.000 0.810 564 A HN 0.543 nan 8.150 nan 0.000 0.448 565 I N -0.514 120.120 120.570 0.107 0.000 2.226 565 I HA -0.284 3.888 4.170 0.003 0.000 0.245 565 I C 2.987 179.144 176.117 0.067 0.000 1.100 565 I CA 1.019 62.367 61.300 0.081 0.000 1.374 565 I CB -0.336 37.699 38.000 0.059 0.000 1.057 565 I HN 0.376 nan 8.210 nan 0.000 0.413 566 A N 1.021 123.874 122.820 0.055 0.000 1.877 566 A HA -0.229 4.093 4.320 0.003 0.000 0.216 566 A C 2.052 179.659 177.584 0.038 0.000 1.186 566 A CA 1.984 54.044 52.037 0.039 0.000 0.620 566 A CB -0.719 18.298 19.000 0.029 0.000 0.822 566 A HN 0.409 nan 8.150 nan 0.000 0.443 567 N N -0.133 118.595 118.700 0.047 0.000 2.104 567 N HA -0.116 4.626 4.740 0.003 0.000 0.190 567 N C 1.726 177.273 175.510 0.061 0.000 1.024 567 N CA 1.969 55.042 53.050 0.039 0.000 0.853 567 N CB -0.911 37.605 38.487 0.048 0.000 1.008 567 N HN 0.518 nan 8.380 nan 0.000 0.424 568 T N 1.356 115.983 114.554 0.121 0.000 2.746 568 T HA -0.049 4.302 4.350 0.003 0.000 0.267 568 T C 1.857 176.664 174.700 0.178 0.000 1.039 568 T CA 1.058 63.289 62.100 0.219 0.000 1.142 568 T CB 0.012 68.995 68.868 0.191 0.000 0.866 568 T HN 0.306 nan 8.240 nan 0.000 0.444 569 K N 0.569 121.025 120.400 0.092 0.000 2.097 569 K HA 0.030 4.352 4.320 0.003 0.000 0.205 569 K C 2.579 179.190 176.600 0.017 0.000 1.050 569 K CA 0.715 57.038 56.287 0.059 0.000 0.938 569 K CB -0.091 32.432 32.500 0.037 0.000 0.718 569 K HN 0.144 nan 8.250 nan 0.000 0.442 570 R N 1.498 121.993 120.500 -0.008 0.000 2.075 570 R HA -0.102 4.240 4.340 0.003 0.000 0.232 570 R C 1.884 178.115 176.300 -0.116 0.000 1.126 570 R CA 1.498 57.570 56.100 -0.047 0.000 0.963 570 R CB 0.145 30.420 30.300 -0.041 0.000 0.858 570 R HN 0.071 nan 8.270 nan 0.000 0.435 571 K N -1.071 119.209 120.400 -0.201 0.000 2.076 571 K HA -0.113 4.209 4.320 0.003 0.000 0.204 571 K C 1.315 177.523 176.600 -0.655 0.000 1.051 571 K CA 1.346 57.334 56.287 -0.499 0.000 0.949 571 K CB 0.144 32.168 32.500 -0.794 0.000 0.726 571 K HN 0.296 nan 8.250 nan 0.000 0.443 572 Y N -1.342 118.945 120.300 -0.021 0.000 2.445 572 Y HA 0.243 4.795 4.550 0.003 0.000 0.247 572 Y C 1.293 177.173 175.900 -0.034 0.000 1.129 572 Y CA 0.061 58.139 58.100 -0.037 0.000 1.251 572 Y CB 1.336 39.767 38.460 -0.048 0.000 1.176 572 Y HN 0.213 nan 8.280 nan 0.000 0.522 573 G N 0.433 109.277 108.800 0.074 0.000 2.176 573 G HA2 -0.009 3.953 3.960 0.003 0.000 0.253 573 G HA3 -0.009 3.953 3.960 0.003 0.000 0.253 573 G C 0.090 175.017 174.900 0.045 0.000 0.979 573 G CA 0.020 45.145 45.100 0.042 0.000 0.641 573 G HN 0.861 nan 8.290 nan 0.000 0.530 574 A N -1.151 121.712 122.820 0.071 0.000 2.590 574 A HA 0.696 5.018 4.320 0.003 0.000 0.294 574 A C 0.704 178.318 177.584 0.051 0.000 1.046 574 A CA -0.006 52.057 52.037 0.043 0.000 0.684 574 A CB -0.022 18.989 19.000 0.019 0.000 1.279 574 A HN 1.392 nan 8.150 nan 0.000 0.415 575 I N -1.619 118.967 120.570 0.026 0.000 3.251 575 I HA 0.165 4.336 4.170 0.003 0.000 0.277 575 I C 0.564 176.666 176.117 -0.026 0.000 1.268 575 I CA 1.203 62.514 61.300 0.017 0.000 1.449 575 I CB 0.024 38.030 38.000 0.011 0.000 1.083 575 I HN 0.490 nan 8.210 nan 0.000 0.464 576 D N 1.716 122.095 120.400 -0.035 0.000 2.788 576 D HA 0.089 4.730 4.640 0.003 0.000 0.289 576 D C 0.360 176.616 176.300 -0.074 0.000 1.340 576 D CA -0.452 53.508 54.000 -0.067 0.000 0.831 576 D CB -0.071 40.695 40.800 -0.057 0.000 1.103 576 D HN 0.324 nan 8.370 nan 0.000 0.476 577 R N 1.417 121.869 120.500 -0.079 0.000 2.442 577 R HA 0.266 4.607 4.340 0.003 0.000 0.291 577 R C -2.376 173.848 176.300 -0.126 0.000 1.069 577 R CA -1.102 54.945 56.100 -0.088 0.000 1.022 577 R CB 0.407 30.662 30.300 -0.075 0.000 0.976 577 R HN -0.126 nan 8.270 nan 0.000 0.443 578 P HA -0.102 nan 4.420 nan 0.000 0.262 578 P C -0.158 177.077 177.300 -0.107 0.000 1.182 578 P CA 0.229 63.281 63.100 -0.080 0.000 0.761 578 P CB 0.242 31.905 31.700 -0.062 0.000 0.795 579 F N 4.239 124.050 119.950 -0.230 0.000 2.063 579 F HA -0.191 4.338 4.527 0.003 0.000 0.298 579 F C 2.145 177.753 175.800 -0.320 0.000 1.109 579 F CA 2.627 60.457 58.000 -0.283 0.000 1.212 579 F CB -0.843 38.043 39.000 -0.190 0.000 0.973 579 F HN 0.395 nan 8.300 nan 0.000 0.480 580 G N -1.101 107.634 108.800 -0.109 0.000 2.776 580 G HA2 -0.174 3.788 3.960 0.003 0.000 0.209 580 G HA3 -0.174 3.788 3.960 0.003 0.000 0.209 580 G C 1.303 176.068 174.900 -0.225 0.000 1.145 580 G CA 0.695 45.672 45.100 -0.206 0.000 0.791 580 G HN 0.479 nan 8.290 nan 0.000 0.530 581 D N 0.204 120.474 120.400 -0.217 0.000 2.301 581 D HA 0.134 4.776 4.640 0.003 0.000 0.206 581 D C 2.373 178.554 176.300 -0.198 0.000 0.979 581 D CA 0.738 54.641 54.000 -0.162 0.000 0.874 581 D CB 0.364 41.098 40.800 -0.111 0.000 0.968 581 D HN 0.237 nan 8.370 nan 0.000 0.510 582 A N 0.015 122.652 122.820 -0.306 0.000 2.014 582 A HA 0.173 4.494 4.320 0.003 0.000 0.210 582 A C 1.165 178.494 177.584 -0.426 0.000 1.188 582 A CA 0.105 51.979 52.037 -0.271 0.000 0.731 582 A CB 0.227 19.063 19.000 -0.274 0.000 0.858 582 A HN 0.082 nan 8.150 nan 0.000 0.464 583 S N 2.058 117.295 115.700 -0.772 0.000 2.399 583 S HA 0.520 4.991 4.470 0.003 0.000 0.301 583 S C -0.220 173.989 174.600 -0.652 0.000 1.093 583 S CA -0.530 56.964 58.200 -1.178 0.000 1.077 583 S CB 0.224 62.070 63.200 -2.258 0.000 0.980 583 S HN 0.382 nan 8.310 nan 0.000 0.494 584 R N 2.137 122.473 120.500 -0.273 0.000 2.854 584 R HA 0.526 4.868 4.340 0.003 0.000 0.271 584 R C -0.730 175.661 176.300 0.153 0.000 0.994 584 R CA -0.736 55.335 56.100 -0.049 0.000 0.945 584 R CB 1.161 31.438 30.300 -0.038 0.000 1.194 584 R HN 0.520 nan 8.270 nan 0.000 0.476 585 M N 2.909 122.584 119.600 0.125 0.000 2.043 585 M HA 0.475 4.956 4.480 0.003 0.000 0.322 585 M C -0.567 175.812 176.300 0.131 0.000 0.962 585 M CA -0.249 55.155 55.300 0.174 0.000 0.927 585 M CB 1.039 33.745 32.600 0.177 0.000 1.466 585 M HN 0.320 nan 8.290 nan 0.000 0.412 586 I N 5.181 125.835 120.570 0.141 0.000 2.359 586 I HA 0.457 4.629 4.170 0.003 0.000 0.284 586 I C -0.881 175.302 176.117 0.111 0.000 1.018 586 I CA -0.410 60.952 61.300 0.102 0.000 1.173 586 I CB 0.995 39.046 38.000 0.085 0.000 1.326 586 I HN 0.579 nan 8.210 nan 0.000 0.462 587 L N 6.851 128.106 121.223 0.053 0.000 2.376 587 L HA 0.511 4.853 4.340 0.003 0.000 0.275 587 L C 0.275 177.166 176.870 0.035 0.000 0.987 587 L CA -0.446 54.387 54.840 -0.013 0.000 0.828 587 L CB 1.493 43.393 42.059 -0.264 0.000 1.249 587 L HN 0.675 nan 8.230 nan 0.000 0.409 588 N N 2.246 121.033 118.700 0.144 0.000 1.629 588 N HA -0.283 4.459 4.740 0.003 0.000 0.153 588 N C 0.482 176.037 175.510 0.075 0.000 0.652 588 N CA 2.155 55.286 53.050 0.135 0.000 1.156 588 N CB -0.588 37.982 38.487 0.138 0.000 1.324 588 N HN 0.959 nan 8.380 nan 0.000 0.449 589 D N 1.049 121.480 120.400 0.051 0.000 2.402 589 D HA 0.209 4.851 4.640 0.003 0.000 0.216 589 D C -0.112 176.204 176.300 0.025 0.000 1.128 589 D CA 0.094 54.114 54.000 0.034 0.000 0.833 589 D CB -0.139 40.676 40.800 0.025 0.000 0.971 589 D HN 0.204 nan 8.370 nan 0.000 0.503 590 V N 1.618 121.547 119.914 0.025 0.000 2.394 590 V HA 0.311 4.433 4.120 0.003 0.000 0.282 590 V C -0.115 175.993 176.094 0.024 0.000 1.031 590 V CA -0.776 61.535 62.300 0.018 0.000 0.881 590 V CB 1.313 33.142 31.823 0.009 0.000 0.982 590 V HN 0.158 nan 8.190 nan 0.000 0.451 591 N N 4.341 123.053 118.700 0.019 0.000 2.576 591 N HA 0.442 5.184 4.740 0.003 0.000 0.269 591 N C -0.986 174.530 175.510 0.010 0.000 1.058 591 N CA -0.195 52.867 53.050 0.020 0.000 0.860 591 N CB 1.932 40.427 38.487 0.013 0.000 1.249 591 N HN 0.540 nan 8.380 nan 0.000 0.525 592 V N 1.634 121.557 119.914 0.014 0.000 2.815 592 V HA 0.804 4.926 4.120 0.003 0.000 0.314 592 V C -2.438 173.649 176.094 -0.011 0.000 1.064 592 V CA -2.248 60.053 62.300 0.002 0.000 0.952 592 V CB 1.825 33.652 31.823 0.006 0.000 1.020 592 V HN 0.395 nan 8.190 nan 0.000 0.439 593 P HA 0.272 nan 4.420 nan 0.000 0.271 593 P C 0.154 177.421 177.300 -0.055 0.000 1.216 593 P CA 0.543 63.611 63.100 -0.055 0.000 0.776 593 P CB 1.076 32.751 31.700 -0.041 0.000 0.881 594 G N 1.249 109.980 108.800 -0.116 0.000 2.477 594 G HA2 0.621 4.583 3.960 0.003 0.000 0.304 594 G HA3 0.621 4.583 3.960 0.003 0.000 0.304 594 G C -1.068 173.855 174.900 0.037 0.000 1.175 594 G CA -0.435 44.624 45.100 -0.068 0.000 0.907 594 G HN 0.730 nan 8.290 nan 0.000 0.509 595 A N -0.926 121.987 122.820 0.155 0.000 2.612 595 A HA 0.998 5.320 4.320 0.003 0.000 0.293 595 A C 0.123 177.954 177.584 0.412 0.000 1.075 595 A CA 0.428 52.650 52.037 0.309 0.000 0.680 595 A CB 0.859 19.988 19.000 0.214 0.000 1.279 595 A HN 2.838 nan 8.150 nan 0.000 0.411 596 A N -1.270 121.840 122.820 0.484 0.000 3.112 596 A HA 0.471 4.793 4.320 0.003 0.000 0.660 596 A C 0.980 178.868 177.584 0.507 0.000 0.470 596 A CA 1.081 53.445 52.037 0.545 0.000 0.194 596 A CB -1.818 17.588 19.000 0.677 0.000 3.812 596 A HN 3.128 nan 8.150 nan 0.000 0.537 597 G N -1.463 107.447 108.800 0.183 0.000 2.726 597 G HA2 0.635 4.596 3.960 0.003 0.000 0.198 597 G HA3 0.635 4.596 3.960 0.003 0.000 0.198 597 G C -0.630 174.141 174.900 -0.216 0.000 1.195 597 G CA -0.025 45.063 45.100 -0.020 0.000 0.951 597 G HN 1.492 nan 8.290 nan 0.000 0.532 598 Y N 1.676 121.951 120.300 -0.042 0.000 2.721 598 Y HA 0.270 4.822 4.550 0.003 0.000 0.329 598 Y C 1.869 177.797 175.900 0.046 0.000 1.211 598 Y CA 0.836 58.963 58.100 0.045 0.000 1.512 598 Y CB 0.979 39.544 38.460 0.175 0.000 1.249 598 Y HN 0.534 nan 8.280 nan 0.000 0.549 599 G N 2.387 111.298 108.800 0.186 0.000 2.422 599 G HA2 -0.263 3.698 3.960 0.003 0.000 0.218 599 G HA3 -0.263 3.698 3.960 0.003 0.000 0.218 599 G C 1.360 176.393 174.900 0.221 0.000 1.140 599 G CA 0.547 45.740 45.100 0.155 0.000 0.775 599 G HN 0.555 nan 8.290 nan 0.000 0.545 600 N N 0.112 118.978 118.700 0.276 0.000 2.550 600 N HA 0.066 4.808 4.740 0.003 0.000 0.186 600 N C 1.623 177.293 175.510 0.267 0.000 1.110 600 N CA 0.284 53.501 53.050 0.279 0.000 0.912 600 N CB 0.026 38.722 38.487 0.348 0.000 0.968 600 N HN 0.296 nan 8.380 nan 0.000 0.448 601 L N -1.318 120.053 121.223 0.246 0.000 2.628 601 L HA 0.271 4.612 4.340 0.003 0.000 0.229 601 L C 1.154 178.247 176.870 0.372 0.000 1.137 601 L CA 0.058 55.069 54.840 0.285 0.000 0.909 601 L CB 0.059 42.289 42.059 0.286 0.000 1.137 601 L HN 0.177 nan 8.230 nan 0.000 0.470 602 G N -0.509 108.478 108.800 0.311 0.000 2.194 602 G HA2 -0.276 3.686 3.960 0.003 0.000 0.236 602 G HA3 -0.276 3.686 3.960 0.003 0.000 0.236 602 G C 0.445 175.538 174.900 0.322 0.000 0.987 602 G CA 0.252 45.526 45.100 0.290 0.000 0.635 602 G HN 0.281 nan 8.290 nan 0.000 0.520 603 S N 0.252 116.168 115.700 0.361 0.000 2.481 603 S HA 0.461 4.933 4.470 0.003 0.000 0.282 603 S C 1.208 175.968 174.600 0.267 0.000 1.243 603 S CA 0.237 58.652 58.200 0.360 0.000 1.078 603 S CB 0.068 63.447 63.200 0.300 0.000 0.916 603 S HN 0.602 nan 8.310 nan 0.000 0.495 604 F N 5.695 125.737 119.950 0.154 0.000 2.060 604 F HA 0.123 4.652 4.527 0.003 0.000 0.295 604 F C 1.522 177.347 175.800 0.042 0.000 1.120 604 F CA 1.213 59.266 58.000 0.088 0.000 1.205 604 F CB -0.118 38.925 39.000 0.071 0.000 0.986 604 F HN 0.527 nan 8.300 nan 0.000 0.470 605 R N 1.270 121.819 120.500 0.083 0.000 2.401 605 R HA 0.317 4.659 4.340 0.003 0.000 0.299 605 R C -1.404 174.791 176.300 -0.175 0.000 1.064 605 R CA -0.114 55.955 56.100 -0.052 0.000 1.000 605 R CB 0.425 30.850 30.300 0.207 0.000 0.973 605 R HN 0.038 nan 8.270 nan 0.000 0.438 606 V N 6.152 125.707 119.914 -0.599 0.000 2.513 606 V HA 0.479 4.601 4.120 0.003 0.000 0.299 606 V C -0.775 174.673 176.094 -1.077 0.000 1.035 606 V CA -0.506 61.368 62.300 -0.710 0.000 0.889 606 V CB 1.598 32.918 31.823 -0.838 0.000 0.988 606 V HN 0.638 nan 8.190 nan 0.000 0.440 607 F N 1.178 120.798 119.950 -0.550 0.000 3.034 607 F HA 0.277 4.806 4.527 0.003 0.000 0.371 607 F C 0.487 175.578 175.800 -1.182 0.000 1.233 607 F CA -0.440 57.011 58.000 -0.915 0.000 1.134 607 F CB 1.735 40.080 39.000 -1.091 0.000 1.495 607 F HN 0.330 nan 8.300 nan 0.000 0.563 608 T N 2.191 116.311 114.554 -0.725 0.000 2.848 608 T HA 0.026 4.378 4.350 0.003 0.000 0.283 608 T C -0.169 174.190 174.700 -0.569 0.000 0.919 608 T CA -0.188 61.609 62.100 -0.505 0.000 1.071 608 T CB -0.398 68.466 68.868 -0.007 0.000 0.912 608 T HN 0.292 nan 8.240 nan 0.000 0.570 609 W N 3.022 124.069 121.300 -0.421 0.000 2.181 609 W HA 0.294 4.955 4.660 0.003 0.000 0.335 609 W C 1.265 177.805 176.519 0.035 0.000 1.310 609 W CA -0.769 56.465 57.345 -0.184 0.000 1.226 609 W CB 0.242 29.594 29.460 -0.180 0.000 1.155 609 W HN 0.566 nan 8.180 nan 0.000 0.565 610 S N 1.299 117.117 115.700 0.196 0.000 2.634 610 S HA 0.216 4.687 4.470 0.003 0.000 0.261 610 S C -0.016 174.692 174.600 0.179 0.000 1.271 610 S CA -1.013 57.264 58.200 0.129 0.000 0.985 610 S CB 0.738 63.964 63.200 0.043 0.000 0.968 610 S HN 0.434 nan 8.310 nan 0.000 0.568 611 D N 2.514 122.978 120.400 0.106 0.000 2.368 611 D HA 0.315 4.956 4.640 0.003 0.000 0.240 611 D C -1.971 174.355 176.300 0.044 0.000 1.169 611 D CA -0.701 53.343 54.000 0.073 0.000 0.906 611 D CB 0.369 41.182 40.800 0.021 0.000 1.187 611 D HN 0.442 nan 8.370 nan 0.000 0.435 612 P HA 0.108 nan 4.420 nan 0.000 0.279 612 P C -0.595 176.668 177.300 -0.062 0.000 1.252 612 P CA -0.465 62.606 63.100 -0.048 0.000 0.811 612 P CB 1.041 32.626 31.700 -0.193 0.000 1.035 613 D N -0.486 119.889 120.400 -0.042 0.000 2.507 613 D HA 0.009 4.651 4.640 0.003 0.000 0.280 613 D C 1.408 177.675 176.300 -0.054 0.000 1.219 613 D CA -0.466 53.511 54.000 -0.038 0.000 1.085 613 D CB -0.283 40.506 40.800 -0.017 0.000 1.134 613 D HN 0.523 nan 8.370 nan 0.000 0.583 614 E N -0.438 119.738 120.200 -0.041 0.000 2.169 614 E HA -0.314 4.038 4.350 0.003 0.000 0.202 614 E C 0.412 176.985 176.600 -0.044 0.000 1.016 614 E CA 1.404 57.779 56.400 -0.041 0.000 0.817 614 E CB -0.543 29.140 29.700 -0.028 0.000 0.736 614 E HN 0.342 nan 8.360 nan 0.000 0.462 615 N N 0.337 119.016 118.700 -0.035 0.000 2.279 615 N HA 0.120 4.862 4.740 0.003 0.000 0.226 615 N C 0.700 176.196 175.510 -0.023 0.000 1.126 615 N CA 0.695 53.729 53.050 -0.027 0.000 0.846 615 N CB 1.134 39.611 38.487 -0.016 0.000 1.050 615 N HN 0.452 nan 8.380 nan 0.000 0.502 616 G N 0.643 109.410 108.800 -0.054 0.000 2.168 616 G HA2 -0.260 3.701 3.960 0.003 0.000 0.263 616 G HA3 -0.260 3.701 3.960 0.003 0.000 0.263 616 G C 0.103 175.032 174.900 0.048 0.000 0.977 616 G CA -0.104 44.971 45.100 -0.041 0.000 0.659 616 G HN 0.272 nan 8.290 nan 0.000 0.533 617 I N 0.772 121.345 120.570 0.005 0.000 2.532 617 I HA 0.548 4.719 4.170 0.003 0.000 0.292 617 I C 0.922 177.045 176.117 0.011 0.000 1.014 617 I CA -0.236 61.062 61.300 -0.004 0.000 1.340 617 I CB 1.150 39.144 38.000 -0.011 0.000 1.422 617 I HN 0.562 nan 8.210 nan 0.000 0.528 618 R N 2.441 122.944 120.500 0.005 0.000 2.680 618 R HA 0.763 5.105 4.340 0.003 0.000 0.269 618 R C -1.061 175.332 176.300 0.156 0.000 1.026 618 R CA -0.790 55.355 56.100 0.075 0.000 0.889 618 R CB 1.944 32.313 30.300 0.116 0.000 1.241 618 R HN 0.642 nan 8.270 nan 0.000 0.463 619 T N -1.786 112.894 114.554 0.211 0.000 2.887 619 T HA 0.605 4.957 4.350 0.003 0.000 0.292 619 T C -2.872 171.815 174.700 -0.021 0.000 1.087 619 T CA -2.547 59.691 62.100 0.229 0.000 1.009 619 T CB 2.076 71.006 68.868 0.103 0.000 1.203 619 T HN 0.380 nan 8.240 nan 0.000 0.518 620 P HA 0.220 nan 4.420 nan 0.000 0.271 620 P C 0.656 177.451 177.300 -0.842 0.000 1.226 620 P CA -0.403 62.085 63.100 -1.020 0.000 0.765 620 P CB 1.032 31.692 31.700 -1.734 0.000 0.835 621 V N 3.983 123.495 119.914 -0.670 0.000 2.492 621 V HA 0.026 4.147 4.120 0.003 0.000 0.241 621 V C 0.148 175.780 176.094 -0.770 0.000 1.041 621 V CA 1.565 63.505 62.300 -0.601 0.000 1.057 621 V CB -0.403 31.083 31.823 -0.562 0.000 0.711 621 V HN 0.595 nan 8.190 nan 0.000 0.468 622 H N -1.611 117.214 119.070 -0.408 0.000 2.941 622 H HA 0.848 5.405 4.556 0.003 0.000 0.344 622 H C 0.086 175.130 175.328 -0.473 0.000 1.235 622 H CA -0.225 55.675 56.048 -0.248 0.000 1.149 622 H CB 1.711 31.432 29.762 -0.068 0.000 1.885 622 H HN 0.478 nan 8.280 nan 0.000 0.558 623 G N -0.632 108.132 108.800 -0.061 0.000 2.302 623 G HA2 -0.011 3.951 3.960 0.003 0.000 0.276 623 G HA3 -0.011 3.951 3.960 0.003 0.000 0.276 623 G C -1.313 173.499 174.900 -0.147 0.000 1.316 623 G CA -1.094 43.772 45.100 -0.390 0.000 0.988 623 G HN 0.546 nan 8.290 nan 0.000 0.479 624 E N 0.559 120.425 120.200 -0.556 0.000 2.604 624 E HA 0.254 4.606 4.350 0.003 0.000 0.267 624 E C 1.136 177.718 176.600 -0.031 0.000 0.970 624 E CA 1.399 57.638 56.400 -0.269 0.000 0.956 624 E CB 0.896 30.310 29.700 -0.477 0.000 0.939 624 E HN 0.944 nan 8.360 nan 0.000 0.465 625 T N -1.295 113.165 114.554 -0.156 0.000 3.384 625 T HA 0.046 4.398 4.350 0.003 0.000 0.151 625 T C 0.026 174.559 174.700 -0.278 0.000 0.896 625 T CA -0.683 61.173 62.100 -0.408 0.000 0.896 625 T CB 0.051 68.798 68.868 -0.201 0.000 1.319 625 T HN 0.609 nan 8.240 nan 0.000 0.293 626 W N 3.505 124.573 121.300 -0.386 0.000 2.331 626 W HA 0.620 5.282 4.660 0.002 0.000 0.306 626 W C -1.918 174.452 176.519 -0.248 0.000 1.162 626 W CA -0.683 56.461 57.345 -0.335 0.000 1.232 626 W CB 1.121 30.284 29.460 -0.495 0.000 1.235 626 W HN 0.295 nan 8.180 nan 0.000 0.479 627 V N 5.999 125.370 119.914 -0.905 0.000 2.577 627 V HA 0.778 4.899 4.120 0.003 0.000 0.303 627 V C -0.214 175.417 176.094 -0.772 0.000 1.042 627 V CA -0.750 61.179 62.300 -0.618 0.000 0.872 627 V CB 0.966 32.744 31.823 -0.075 0.000 0.998 627 V HN 0.664 nan 8.190 nan 0.000 0.423 628 A N 6.331 128.803 122.820 -0.580 0.000 2.520 628 A HA 0.983 5.304 4.320 0.003 0.000 0.298 628 A C -1.051 176.442 177.584 -0.152 0.000 1.051 628 A CA -0.685 51.142 52.037 -0.350 0.000 0.690 628 A CB 2.157 20.987 19.000 -0.283 0.000 1.281 628 A HN 0.739 nan 8.150 nan 0.000 0.402 629 M N 2.115 121.649 119.600 -0.109 0.000 2.259 629 M HA 0.640 5.122 4.480 0.003 0.000 0.304 629 M C -1.583 174.633 176.300 -0.140 0.000 1.019 629 M CA -0.460 54.846 55.300 0.008 0.000 0.922 629 M CB 0.367 33.013 32.600 0.078 0.000 1.600 629 M HN 0.385 nan 8.290 nan 0.000 0.433 630 I N 1.774 122.191 120.570 -0.255 0.000 2.509 630 I HA 0.436 4.608 4.170 0.003 0.000 0.293 630 I C -0.112 175.673 176.117 -0.553 0.000 1.020 630 I CA -0.322 60.623 61.300 -0.592 0.000 1.088 630 I CB 2.155 39.509 38.000 -1.076 0.000 1.267 630 I HN 0.772 nan 8.210 nan 0.000 0.430 631 E N 5.352 125.233 120.200 -0.533 0.000 2.155 631 E HA 0.357 4.709 4.350 0.003 0.000 0.264 631 E C -1.124 175.223 176.600 -0.421 0.000 0.886 631 E CA -0.567 55.609 56.400 -0.373 0.000 0.752 631 E CB 0.701 30.273 29.700 -0.215 0.000 1.133 631 E HN 0.460 nan 8.360 nan 0.000 0.414 632 F N 3.807 123.677 119.950 -0.134 0.000 2.651 632 F HA 0.067 4.596 4.527 0.003 0.000 0.369 632 F C 0.926 176.688 175.800 -0.063 0.000 1.187 632 F CA -0.193 57.753 58.000 -0.090 0.000 1.335 632 F CB -0.281 38.663 39.000 -0.092 0.000 1.707 632 F HN 0.277 nan 8.300 nan 0.000 0.637 633 S N -1.275 114.429 115.700 0.008 0.000 2.646 633 S HA 0.532 5.004 4.470 0.003 0.000 0.273 633 S C 0.169 174.787 174.600 0.031 0.000 1.168 633 S CA -0.799 57.409 58.200 0.013 0.000 1.013 633 S CB 1.199 64.384 63.200 -0.025 0.000 1.098 633 S HN 0.144 nan 8.310 nan 0.000 0.544 634 T N 2.925 117.494 114.554 0.025 0.000 2.912 634 T HA 0.509 4.860 4.350 0.003 0.000 0.326 634 T C -2.275 172.438 174.700 0.021 0.000 1.080 634 T CA -0.828 61.293 62.100 0.035 0.000 1.000 634 T CB 0.881 69.774 68.868 0.043 0.000 1.008 634 T HN 0.625 nan 8.240 nan 0.000 0.473 635 P HA 0.385 nan 4.420 nan 0.000 0.274 635 P C 0.223 177.517 177.300 -0.011 0.000 1.246 635 P CA -0.594 62.517 63.100 0.019 0.000 0.795 635 P CB 0.584 32.293 31.700 0.015 0.000 1.006 636 V N -1.004 118.900 119.914 -0.016 0.000 3.287 636 V HA 0.315 4.437 4.120 0.003 0.000 0.306 636 V C 0.409 176.409 176.094 -0.157 0.000 1.103 636 V CA -0.317 61.917 62.300 -0.109 0.000 1.159 636 V CB -0.078 31.650 31.823 -0.159 0.000 1.036 636 V HN 0.497 nan 8.190 nan 0.000 0.487 637 R N 1.563 121.918 120.500 -0.242 0.000 2.561 637 R HA 0.794 5.136 4.340 0.003 0.000 0.297 637 R C -0.822 175.256 176.300 -0.371 0.000 0.969 637 R CA -0.181 55.768 56.100 -0.252 0.000 0.879 637 R CB 2.031 32.244 30.300 -0.144 0.000 1.178 637 R HN 1.186 nan 8.270 nan 0.000 0.445 638 A N 3.091 125.626 122.820 -0.475 0.000 2.574 638 A HA 0.669 4.991 4.320 0.003 0.000 0.297 638 A C -2.006 175.209 177.584 -0.616 0.000 1.062 638 A CA -0.553 51.187 52.037 -0.495 0.000 0.686 638 A CB 1.328 19.960 19.000 -0.614 0.000 1.285 638 A HN 0.631 nan 8.150 nan 0.000 0.403 639 Y N -0.084 120.147 120.300 -0.115 0.000 2.499 639 Y HA 0.748 5.300 4.550 0.003 0.000 0.347 639 Y C 0.773 176.722 175.900 0.082 0.000 0.987 639 Y CA 0.166 58.275 58.100 0.014 0.000 1.044 639 Y CB 2.948 41.420 38.460 0.021 0.000 1.245 639 Y HN 1.184 nan 8.280 nan 0.000 0.461 640 G N 1.436 110.437 108.800 0.335 0.000 2.608 640 G HA2 0.741 4.703 3.960 0.003 0.000 0.291 640 G HA3 0.741 4.703 3.960 0.003 0.000 0.291 640 G C -2.319 172.501 174.900 -0.132 0.000 1.425 640 G CA -0.806 44.348 45.100 0.089 0.000 0.787 640 G HN 0.549 nan 8.290 nan 0.000 0.484 641 L N -0.575 120.382 121.223 -0.444 0.000 2.582 641 L HA 0.619 4.960 4.340 0.003 0.000 0.257 641 L C -1.432 175.286 176.870 -0.254 0.000 0.974 641 L CA -0.814 53.758 54.840 -0.446 0.000 0.851 641 L CB 2.671 44.214 42.059 -0.860 0.000 1.424 641 L HN 0.602 nan 8.230 nan 0.000 0.412 642 M N 0.707 120.249 119.600 -0.098 0.000 2.053 642 M HA 0.364 4.846 4.480 0.003 0.000 0.297 642 M C 0.557 176.719 176.300 -0.230 0.000 0.921 642 M CA 0.071 55.355 55.300 -0.027 0.000 0.918 642 M CB 1.550 34.272 32.600 0.204 0.000 1.499 642 M HN 0.533 nan 8.290 nan 0.000 0.422 643 S N 3.315 118.730 115.700 -0.475 0.000 2.378 643 S HA -0.193 4.278 4.470 0.003 0.000 0.229 643 S C 0.665 174.951 174.600 -0.524 0.000 1.052 643 S CA 2.242 60.090 58.200 -0.586 0.000 1.084 643 S CB -0.565 62.037 63.200 -0.997 0.000 0.950 643 S HN 0.784 nan 8.310 nan 0.000 0.440 644 Y N 1.170 121.215 120.300 -0.425 0.000 2.811 644 Y HA 0.613 5.164 4.550 0.003 0.000 0.330 644 Y C 0.940 176.817 175.900 -0.037 0.000 1.081 644 Y CA -1.540 56.362 58.100 -0.330 0.000 1.408 644 Y CB -1.270 37.030 38.460 -0.268 0.000 1.235 644 Y HN 0.256 nan 8.280 nan 0.000 0.529 645 G N 1.698 110.626 108.800 0.214 0.000 2.806 645 G HA2 -0.395 3.567 3.960 0.003 0.000 0.236 645 G HA3 -0.395 3.567 3.960 0.003 0.000 0.236 645 G C 0.055 175.191 174.900 0.394 0.000 1.387 645 G CA 0.217 45.496 45.100 0.300 0.000 0.884 645 G HN 0.527 nan 8.290 nan 0.000 0.560 646 N N -0.263 118.648 118.700 0.351 0.000 2.238 646 N HA 0.448 5.189 4.740 0.003 0.000 0.222 646 N C -0.046 175.694 175.510 0.383 0.000 1.133 646 N CA 1.029 54.296 53.050 0.362 0.000 0.854 646 N CB 0.379 38.980 38.487 0.189 0.000 1.041 646 N HN 0.883 nan 8.380 nan 0.000 0.510 647 S N -0.992 114.845 115.700 0.227 0.000 2.552 647 S HA 0.455 4.927 4.470 0.003 0.000 0.272 647 S C -0.798 173.718 174.600 -0.141 0.000 1.150 647 S CA -0.643 57.436 58.200 -0.201 0.000 0.849 647 S CB 0.786 63.939 63.200 -0.078 0.000 1.113 647 S HN 0.215 nan 8.310 nan 0.000 0.458 648 R N 1.065 121.340 120.500 -0.375 0.000 2.592 648 R HA 0.218 4.560 4.340 0.003 0.000 0.439 648 R C -0.620 175.500 176.300 -0.300 0.000 0.995 648 R CA -0.436 55.468 56.100 -0.327 0.000 1.141 648 R CB 0.807 30.963 30.300 -0.240 0.000 1.495 648 R HN 0.518 nan 8.270 nan 0.000 0.579 649 Q N 1.880 121.518 119.800 -0.270 0.000 2.293 649 Q HA 0.212 4.554 4.340 0.003 0.000 0.263 649 Q C -2.363 173.535 176.000 -0.169 0.000 1.002 649 Q CA -1.976 53.700 55.803 -0.211 0.000 0.910 649 Q CB 0.948 29.567 28.738 -0.198 0.000 1.185 649 Q HN -0.068 nan 8.270 nan 0.000 0.401 650 P HA -0.125 nan 4.420 nan 0.000 0.259 650 P C 0.651 177.892 177.300 -0.097 0.000 1.155 650 P CA 1.372 64.398 63.100 -0.123 0.000 0.759 650 P CB 0.244 31.881 31.700 -0.106 0.000 0.753 651 G N 1.482 110.233 108.800 -0.082 0.000 2.176 651 G HA2 -0.241 3.720 3.960 0.003 0.000 0.253 651 G HA3 -0.241 3.720 3.960 0.003 0.000 0.253 651 G C 0.449 175.305 174.900 -0.073 0.000 0.979 651 G CA 0.191 45.251 45.100 -0.067 0.000 0.641 651 G HN 0.788 nan 8.290 nan 0.000 0.530 652 T N 0.698 115.206 114.554 -0.076 0.000 2.907 652 T HA 0.480 4.832 4.350 0.003 0.000 0.298 652 T C 1.875 176.524 174.700 -0.084 0.000 1.017 652 T CA 1.265 63.319 62.100 -0.076 0.000 1.118 652 T CB 0.830 69.672 68.868 -0.043 0.000 0.948 652 T HN 0.897 nan 8.240 nan 0.000 0.531 653 T N 1.486 115.902 114.554 -0.230 0.000 3.129 653 T HA 0.107 4.459 4.350 0.003 0.000 0.251 653 T C 0.745 175.247 174.700 -0.330 0.000 1.117 653 T CA 0.232 62.155 62.100 -0.295 0.000 1.034 653 T CB -0.192 68.425 68.868 -0.418 0.000 0.968 653 T HN 0.738 nan 8.240 nan 0.000 0.526 654 H N -0.285 118.827 119.070 0.070 0.000 2.488 654 H HA 0.280 4.838 4.556 0.003 0.000 0.294 654 H C 0.300 175.753 175.328 0.208 0.000 1.088 654 H CA -0.543 55.577 56.048 0.121 0.000 1.086 654 H CB 0.108 29.937 29.762 0.111 0.000 1.569 654 H HN 0.448 nan 8.280 nan 0.000 0.548 655 Y N 1.746 122.115 120.300 0.114 0.000 2.382 655 Y HA -0.006 4.546 4.550 0.003 0.000 0.292 655 Y C 2.082 178.050 175.900 0.113 0.000 1.151 655 Y CA 1.161 59.324 58.100 0.106 0.000 1.198 655 Y CB 0.307 38.796 38.460 0.047 0.000 1.195 655 Y HN 0.079 nan 8.280 nan 0.000 0.530 656 S N -0.351 115.334 115.700 -0.026 0.000 2.557 656 S HA 0.036 4.508 4.470 0.003 0.000 0.223 656 S C 0.705 175.300 174.600 -0.007 0.000 0.969 656 S CA 0.144 58.264 58.200 -0.134 0.000 0.927 656 S CB -0.527 62.627 63.200 -0.077 0.000 0.806 656 S HN 0.590 nan 8.310 nan 0.000 0.489 657 D N 0.961 121.407 120.400 0.077 0.000 2.323 657 D HA 0.020 4.662 4.640 0.003 0.000 0.239 657 D C 1.004 177.444 176.300 0.234 0.000 1.129 657 D CA 0.130 54.209 54.000 0.132 0.000 0.865 657 D CB -0.063 40.820 40.800 0.138 0.000 0.913 657 D HN 0.559 nan 8.370 nan 0.000 0.517 658 Q N -0.960 118.919 119.800 0.132 0.000 2.167 658 Q HA 0.150 4.492 4.340 0.003 0.000 0.251 658 Q C 1.551 177.538 176.000 -0.021 0.000 0.768 658 Q CA -0.384 55.469 55.803 0.083 0.000 0.944 658 Q CB 0.370 29.125 28.738 0.029 0.000 1.179 658 Q HN 0.063 nan 8.270 nan 0.000 0.478 659 I N 2.299 122.847 120.570 -0.037 0.000 2.315 659 I HA -0.277 3.894 4.170 0.003 0.000 0.251 659 I C 2.235 178.344 176.117 -0.015 0.000 1.125 659 I CA 1.616 62.892 61.300 -0.040 0.000 1.392 659 I CB -0.003 37.977 38.000 -0.033 0.000 1.065 659 I HN 0.192 nan 8.210 nan 0.000 0.424 660 E N 0.746 120.946 120.200 -0.000 0.000 2.072 660 E HA -0.216 4.136 4.350 0.003 0.000 0.191 660 E C 2.374 178.967 176.600 -0.012 0.000 0.985 660 E CA 1.195 57.597 56.400 0.004 0.000 0.801 660 E CB -0.104 29.609 29.700 0.022 0.000 0.750 660 E HN 0.516 nan 8.360 nan 0.000 0.452 661 R N -0.033 120.454 120.500 -0.022 0.000 2.115 661 R HA -0.065 4.277 4.340 0.003 0.000 0.230 661 R C 2.502 178.730 176.300 -0.121 0.000 1.111 661 R CA 1.063 57.127 56.100 -0.059 0.000 0.976 661 R CB -0.185 30.068 30.300 -0.077 0.000 0.870 661 R HN 0.063 nan 8.270 nan 0.000 0.445 662 V N 1.179 121.016 119.914 -0.129 0.000 2.343 662 V HA -0.248 3.874 4.120 0.003 0.000 0.247 662 V C 2.389 178.445 176.094 -0.062 0.000 1.051 662 V CA 2.175 64.399 62.300 -0.127 0.000 1.036 662 V CB -0.532 31.259 31.823 -0.054 0.000 0.654 662 V HN 0.453 nan 8.190 nan 0.000 0.451 663 S N 0.122 115.797 115.700 -0.042 0.000 2.500 663 S HA -0.152 4.319 4.470 0.003 0.000 0.239 663 S C 1.776 176.352 174.600 -0.041 0.000 0.989 663 S CA 1.182 59.360 58.200 -0.038 0.000 0.951 663 S CB -0.335 62.852 63.200 -0.021 0.000 0.759 663 S HN 0.646 nan 8.310 nan 0.000 0.523 664 R N 0.197 120.664 120.500 -0.054 0.000 2.476 664 R HA 0.499 4.841 4.340 0.003 0.000 0.276 664 R C 0.693 176.933 176.300 -0.100 0.000 0.941 664 R CA 0.376 56.444 56.100 -0.054 0.000 1.088 664 R CB 0.340 30.625 30.300 -0.025 0.000 1.216 664 R HN 0.411 nan 8.270 nan 0.000 0.533 665 A N 2.136 124.865 122.820 -0.151 0.000 2.745 665 A HA -0.196 4.125 4.320 0.003 0.000 0.296 665 A C -0.211 177.398 177.584 0.042 0.000 1.500 665 A CA 1.140 53.053 52.037 -0.206 0.000 0.766 665 A CB -1.497 17.036 19.000 -0.778 0.000 1.030 665 A HN 0.366 nan 8.150 nan 0.000 0.489 666 D N -0.037 120.366 120.400 0.006 0.000 2.499 666 D HA 0.510 5.152 4.640 0.003 0.000 0.225 666 D C -0.208 176.131 176.300 0.064 0.000 1.124 666 D CA -0.222 53.820 54.000 0.070 0.000 0.938 666 D CB -0.335 40.477 40.800 0.020 0.000 1.014 666 D HN 0.217 nan 8.370 nan 0.000 0.517 667 F N 1.650 121.596 119.950 -0.006 0.000 2.459 667 F HA 0.268 4.797 4.527 0.003 0.000 0.346 667 F C 1.704 177.579 175.800 0.126 0.000 1.128 667 F CA -0.142 57.885 58.000 0.044 0.000 1.268 667 F CB 0.657 39.713 39.000 0.093 0.000 1.161 667 F HN -0.043 nan 8.300 nan 0.000 0.583 668 R N 1.359 121.975 120.500 0.193 0.000 2.410 668 R HA 0.176 4.518 4.340 0.003 0.000 0.288 668 R C -0.222 176.202 176.300 0.206 0.000 1.051 668 R CA -0.705 55.472 56.100 0.128 0.000 1.021 668 R CB 0.807 31.056 30.300 -0.085 0.000 1.032 668 R HN 0.640 nan 8.270 nan 0.000 0.481 669 E N 4.103 124.364 120.200 0.101 0.000 2.257 669 E HA 0.052 4.404 4.350 0.003 0.000 0.278 669 E C -0.705 175.780 176.600 -0.192 0.000 1.049 669 E CA -0.366 55.866 56.400 -0.280 0.000 0.876 669 E CB 0.598 30.168 29.700 -0.216 0.000 1.035 669 E HN 0.386 nan 8.360 nan 0.000 0.419 670 L N 5.755 126.813 121.223 -0.275 0.000 2.360 670 L HA 0.170 4.512 4.340 0.003 0.000 0.276 670 L C -0.117 176.563 176.870 -0.316 0.000 1.121 670 L CA -0.387 54.308 54.840 -0.242 0.000 0.845 670 L CB 0.257 42.164 42.059 -0.252 0.000 1.143 670 L HN 0.547 nan 8.230 nan 0.000 0.452 671 L N 5.068 126.152 121.223 -0.231 0.000 2.257 671 L HA 0.273 4.615 4.340 0.003 0.000 0.290 671 L C 0.765 177.484 176.870 -0.251 0.000 1.044 671 L CA -0.299 54.442 54.840 -0.166 0.000 0.810 671 L CB 1.208 43.242 42.059 -0.041 0.000 1.193 671 L HN 0.664 nan 8.230 nan 0.000 0.425 672 L N 1.880 122.959 121.223 -0.239 0.000 2.547 672 L HA 0.253 4.594 4.340 0.003 0.000 0.218 672 L C 1.113 178.011 176.870 0.046 0.000 1.048 672 L CA 0.092 54.807 54.840 -0.209 0.000 0.859 672 L CB 0.049 42.020 42.059 -0.146 0.000 1.128 672 L HN 0.649 nan 8.230 nan 0.000 0.483 673 R N 0.793 121.298 120.500 0.008 0.000 2.491 673 R HA 0.033 4.374 4.340 0.003 0.000 0.283 673 R C 0.983 177.287 176.300 0.007 0.000 1.072 673 R CA -0.270 55.850 56.100 0.033 0.000 1.048 673 R CB 1.060 31.361 30.300 0.002 0.000 0.983 673 R HN -0.026 nan 8.270 nan 0.000 0.450 674 R N 2.837 123.323 120.500 -0.024 0.000 2.112 674 R HA -0.251 4.091 4.340 0.003 0.000 0.242 674 R C 1.181 177.384 176.300 -0.162 0.000 1.137 674 R CA 2.281 58.277 56.100 -0.174 0.000 0.944 674 R CB -0.207 29.767 30.300 -0.544 0.000 0.857 674 R HN 0.738 nan 8.270 nan 0.000 0.435 675 E N -0.131 119.995 120.200 -0.123 0.000 2.049 675 E HA -0.291 4.061 4.350 0.003 0.000 0.198 675 E C 2.189 178.748 176.600 -0.068 0.000 1.007 675 E CA 1.900 58.247 56.400 -0.088 0.000 0.809 675 E CB -0.176 29.491 29.700 -0.054 0.000 0.749 675 E HN 0.538 nan 8.360 nan 0.000 0.450 676 Q N 0.189 119.955 119.800 -0.057 0.000 2.112 676 Q HA -0.185 4.157 4.340 0.003 0.000 0.206 676 Q C 2.401 178.361 176.000 -0.068 0.000 0.987 676 Q CA 1.714 57.487 55.803 -0.050 0.000 0.858 676 Q CB -0.162 28.543 28.738 -0.054 0.000 0.905 676 Q HN 0.181 nan 8.270 nan 0.000 0.420 677 V N 1.501 121.346 119.914 -0.114 0.000 2.295 677 V HA -0.241 3.881 4.120 0.003 0.000 0.246 677 V C 2.102 178.134 176.094 -0.102 0.000 1.049 677 V CA 1.868 64.056 62.300 -0.187 0.000 1.024 677 V CB -0.618 31.071 31.823 -0.223 0.000 0.648 677 V HN 0.351 nan 8.190 nan 0.000 0.447 678 E N 0.692 120.833 120.200 -0.098 0.000 2.110 678 E HA -0.198 4.153 4.350 0.003 0.000 0.193 678 E C 2.310 178.893 176.600 -0.029 0.000 0.988 678 E CA 1.484 57.840 56.400 -0.073 0.000 0.804 678 E CB -0.332 29.310 29.700 -0.097 0.000 0.745 678 E HN 0.610 nan 8.360 nan 0.000 0.458 679 A N 1.104 123.909 122.820 -0.024 0.000 2.014 679 A HA 0.090 4.412 4.320 0.003 0.000 0.218 679 A C 2.121 179.721 177.584 0.027 0.000 1.163 679 A CA 1.366 53.404 52.037 0.002 0.000 0.652 679 A CB -0.020 18.981 19.000 0.001 0.000 0.808 679 A HN 0.215 nan 8.150 nan 0.000 0.449 680 A N -0.862 121.977 122.820 0.033 0.000 2.465 680 A HA 0.490 4.812 4.320 0.003 0.000 0.255 680 A C 0.626 178.273 177.584 0.105 0.000 1.274 680 A CA 0.080 52.162 52.037 0.076 0.000 0.920 680 A CB -0.361 18.699 19.000 0.100 0.000 1.033 680 A HN 0.559 nan 8.150 nan 0.000 0.516 681 V N 0.599 120.565 119.914 0.086 0.000 2.585 681 V HA 0.114 4.236 4.120 0.003 0.000 0.296 681 V C 0.573 176.747 176.094 0.134 0.000 1.035 681 V CA 0.480 62.857 62.300 0.129 0.000 1.084 681 V CB 0.989 32.872 31.823 0.099 0.000 0.953 681 V HN 0.577 nan 8.190 nan 0.000 0.483 682 Q N 4.443 124.349 119.800 0.178 0.000 2.245 682 Q HA 0.337 4.678 4.340 0.003 0.000 0.236 682 Q C 0.103 176.196 176.000 0.155 0.000 0.842 682 Q CA 0.212 56.102 55.803 0.146 0.000 0.945 682 Q CB 1.192 30.015 28.738 0.140 0.000 1.122 682 Q HN 0.931 nan 8.270 nan 0.000 0.506 683 E N 0.243 120.580 120.200 0.228 0.000 2.397 683 E HA 0.295 4.647 4.350 0.003 0.000 0.293 683 E C -1.292 175.533 176.600 0.375 0.000 0.930 683 E CA -0.251 56.290 56.400 0.235 0.000 0.793 683 E CB 1.484 31.259 29.700 0.125 0.000 1.259 683 E HN -0.110 nan 8.360 nan 0.000 0.406 684 R N 2.402 123.070 120.500 0.279 0.000 2.387 684 R HA 0.429 4.771 4.340 0.003 0.000 0.314 684 R C -1.040 175.432 176.300 0.286 0.000 0.958 684 R CA -0.603 55.662 56.100 0.275 0.000 0.846 684 R CB 2.098 32.493 30.300 0.160 0.000 1.147 684 R HN 0.390 nan 8.270 nan 0.000 0.447 685 T N 5.676 120.435 114.554 0.341 0.000 2.977 685 T HA 0.264 4.615 4.350 0.003 0.000 0.346 685 T C -2.302 172.528 174.700 0.217 0.000 1.140 685 T CA -1.420 60.852 62.100 0.286 0.000 1.040 685 T CB 1.278 70.389 68.868 0.406 0.000 1.046 685 T HN 0.356 nan 8.240 nan 0.000 0.494 686 P HA 0.514 nan 4.420 nan 0.000 0.274 686 P C -0.892 176.493 177.300 0.141 0.000 1.231 686 P CA -0.428 62.729 63.100 0.094 0.000 0.790 686 P CB 0.682 32.405 31.700 0.038 0.000 0.951 687 F N -1.226 118.695 119.950 -0.048 0.000 2.693 687 F HA 0.598 5.126 4.527 0.003 0.000 0.309 687 F C -1.623 174.189 175.800 0.019 0.000 1.129 687 F CA -1.026 56.948 58.000 -0.043 0.000 0.948 687 F CB 1.201 40.149 39.000 -0.086 0.000 1.315 687 F HN 0.058 nan 8.300 nan 0.000 0.447 688 N N 1.389 120.194 118.700 0.175 0.000 2.225 688 N HA 0.505 5.247 4.740 0.003 0.000 0.298 688 N C -1.919 173.622 175.510 0.051 0.000 1.076 688 N CA -0.281 52.791 53.050 0.035 0.000 0.792 688 N CB 2.672 41.160 38.487 0.001 0.000 1.498 688 N HN 0.666 nan 8.380 nan 0.000 0.474 689 F N 0.000 119.820 119.950 -0.216 0.000 2.286 689 F HA 0.000 4.529 4.527 0.003 0.000 0.279 689 F CA 0.000 57.760 58.000 -0.400 0.000 1.383 689 F CB 0.000 38.772 39.000 -0.380 0.000 1.145 689 F HN 0.000 nan 8.300 nan 0.000 0.574