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 1nhu_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AAcRAAKLQD cTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.574 174.600 -0.044 0.000 1.055 1 S CA 0.000 58.182 58.200 -0.031 0.000 1.107 1 S CB 0.000 63.175 63.200 -0.042 0.000 0.593 2 M N 3.180 122.745 119.600 -0.058 0.000 2.200 2 M HA 0.281 4.760 4.480 -0.001 0.000 0.355 2 M C 1.858 178.041 176.300 -0.196 0.000 1.283 2 M CA -0.219 55.029 55.300 -0.087 0.000 1.124 2 M CB 0.839 33.406 32.600 -0.055 0.000 1.625 2 M HN 1.077 nan 8.290 nan 0.000 0.463 3 S N 2.939 118.450 115.700 -0.316 0.000 2.400 3 S HA -0.110 4.359 4.470 -0.001 0.000 0.232 3 S C 0.017 174.137 174.600 -0.800 0.000 1.025 3 S CA 1.050 58.914 58.200 -0.560 0.000 0.993 3 S CB -0.195 62.567 63.200 -0.730 0.000 0.808 3 S HN 0.643 nan 8.310 nan 0.000 0.478 4 Y N 0.452 120.566 120.300 -0.309 0.000 2.581 4 Y HA 0.525 5.074 4.550 -0.001 0.000 0.337 4 Y C -0.224 175.348 175.900 -0.546 0.000 1.108 4 Y CA -1.003 56.785 58.100 -0.520 0.000 1.033 4 Y CB 1.782 39.772 38.460 -0.784 0.000 1.318 4 Y HN 0.122 nan 8.280 nan 0.000 0.459 5 T N -2.211 112.075 114.554 -0.446 0.000 2.863 5 T HA 0.714 5.064 4.350 -0.001 0.000 0.285 5 T C -1.238 173.175 174.700 -0.479 0.000 1.009 5 T CA -0.785 61.132 62.100 -0.305 0.000 0.989 5 T CB 1.224 70.034 68.868 -0.096 0.000 1.004 5 T HN 0.533 nan 8.240 nan 0.000 0.455 6 W N 0.873 122.224 121.300 0.086 0.000 2.706 6 W HA 0.497 5.157 4.660 -0.001 0.000 0.346 6 W C 1.378 177.924 176.519 0.045 0.000 1.071 6 W CA -0.803 56.576 57.345 0.057 0.000 1.206 6 W CB 2.087 31.564 29.460 0.028 0.000 1.413 6 W HN 0.888 nan 8.180 nan 0.000 0.542 7 T N -2.516 112.226 114.554 0.312 0.000 3.037 7 T HA 0.349 4.698 4.350 -0.001 0.000 0.251 7 T C 1.382 176.167 174.700 0.141 0.000 1.079 7 T CA 0.748 62.954 62.100 0.176 0.000 1.067 7 T CB 0.155 69.102 68.868 0.132 0.000 0.948 7 T HN 1.137 nan 8.240 nan 0.000 0.496 8 G N 1.557 110.449 108.800 0.152 0.000 2.313 8 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.215 8 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.215 8 G C 0.491 175.413 174.900 0.038 0.000 1.023 8 G CA -0.182 44.960 45.100 0.070 0.000 0.626 8 G HN 1.178 nan 8.290 nan 0.000 0.503 9 A N 1.171 124.027 122.820 0.060 0.000 2.561 9 A HA 0.537 4.857 4.320 -0.001 0.000 0.234 9 A C 0.826 178.415 177.584 0.009 0.000 1.055 9 A CA 0.549 52.609 52.037 0.038 0.000 0.756 9 A CB 0.027 19.060 19.000 0.055 0.000 0.986 9 A HN 1.050 nan 8.150 nan 0.000 0.505 10 L N 1.856 123.072 121.223 -0.012 0.000 2.418 10 L HA 0.320 4.660 4.340 -0.001 0.000 0.265 10 L C 0.161 177.010 176.870 -0.035 0.000 1.143 10 L CA -0.352 54.461 54.840 -0.044 0.000 0.809 10 L CB 0.624 42.661 42.059 -0.037 0.000 1.124 10 L HN 0.546 nan 8.230 nan 0.000 0.456 11 I N 1.671 122.201 120.570 -0.067 0.000 2.379 11 I HA 0.106 4.275 4.170 -0.001 0.000 0.290 11 I C 0.423 176.529 176.117 -0.019 0.000 1.063 11 I CA -0.059 61.218 61.300 -0.039 0.000 1.351 11 I CB 0.857 38.814 38.000 -0.072 0.000 1.410 11 I HN 0.677 nan 8.210 nan 0.000 0.505 12 T N 5.017 119.572 114.554 0.002 0.000 2.929 12 T HA 0.528 4.878 4.350 -0.001 0.000 0.284 12 T C -2.418 172.295 174.700 0.022 0.000 1.014 12 T CA -2.070 60.035 62.100 0.009 0.000 1.051 12 T CB 1.590 70.464 68.868 0.010 0.000 1.028 12 T HN 0.290 nan 8.240 nan 0.000 0.485 13 P HA 0.195 nan 4.420 nan 0.000 0.272 13 P C 0.168 177.488 177.300 0.035 0.000 1.223 13 P CA -0.543 62.576 63.100 0.032 0.000 0.784 13 P CB 0.893 32.611 31.700 0.031 0.000 0.923 14 C N 1.411 120.736 119.300 0.042 0.000 2.791 14 C HA 0.621 5.080 4.460 -0.001 0.000 0.270 14 C C 0.719 175.730 174.990 0.034 0.000 1.257 14 C CA 0.783 59.826 59.018 0.042 0.000 1.699 14 C CB -1.619 26.154 27.740 0.055 0.000 1.904 14 C HN 0.760 nan 8.230 nan 0.000 0.603 15 A N -0.431 122.410 122.820 0.035 0.000 2.428 15 A HA 0.651 4.971 4.320 -0.001 0.000 0.304 15 A C -0.810 176.799 177.584 0.040 0.000 1.085 15 A CA 0.122 52.180 52.037 0.035 0.000 0.605 15 A CB -0.539 18.483 19.000 0.036 0.000 1.393 15 A HN 1.007 nan 8.150 nan 0.000 0.541 16 A N -0.109 122.737 122.820 0.044 0.000 2.462 16 A HA 0.550 4.870 4.320 -0.001 0.000 0.243 16 A C -0.004 177.620 177.584 0.067 0.000 1.076 16 A CA 0.502 52.570 52.037 0.051 0.000 0.773 16 A CB -0.260 18.770 19.000 0.050 0.000 1.010 16 A HN 0.599 nan 8.150 nan 0.000 0.493 17 E N 1.050 121.294 120.200 0.074 0.000 2.222 17 E HA 0.406 4.756 4.350 -0.001 0.000 0.267 17 E C -1.172 175.504 176.600 0.127 0.000 0.884 17 E CA -0.526 55.932 56.400 0.097 0.000 0.764 17 E CB 2.056 31.804 29.700 0.079 0.000 1.169 17 E HN 0.739 nan 8.360 nan 0.000 0.413 18 E N 0.952 121.268 120.200 0.193 0.000 2.171 18 E HA 0.175 4.525 4.350 -0.001 0.000 0.271 18 E C 0.028 176.837 176.600 0.347 0.000 0.916 18 E CA -0.239 56.311 56.400 0.251 0.000 0.774 18 E CB 1.624 31.506 29.700 0.304 0.000 1.128 18 E HN 0.566 nan 8.360 nan 0.000 0.403 19 S N 2.415 118.290 115.700 0.292 0.000 2.497 19 S HA 0.001 4.471 4.470 -0.001 0.000 0.221 19 S C 0.596 175.447 174.600 0.418 0.000 1.037 19 S CA -0.224 58.174 58.200 0.330 0.000 0.920 19 S CB -0.118 63.220 63.200 0.231 0.000 0.800 19 S HN 0.417 nan 8.310 nan 0.000 0.505 20 K N 1.565 122.143 120.400 0.295 0.000 2.174 20 K HA 0.527 4.846 4.320 -0.001 0.000 0.275 20 K C -0.523 176.122 176.600 0.075 0.000 1.015 20 K CA -0.950 55.467 56.287 0.215 0.000 0.933 20 K CB 0.846 33.412 32.500 0.111 0.000 1.025 20 K HN 0.116 nan 8.250 nan 0.000 0.463 21 L N 3.795 125.056 121.223 0.064 0.000 2.628 21 L HA 0.079 4.418 4.340 -0.001 0.000 0.274 21 L C -2.408 174.205 176.870 -0.428 0.000 1.209 21 L CA -0.885 53.808 54.840 -0.245 0.000 0.930 21 L CB -0.274 41.778 42.059 -0.012 0.000 1.183 21 L HN 0.577 nan 8.230 nan 0.000 0.492 22 P HA 0.230 nan 4.420 nan 0.000 0.276 22 P C -0.967 176.097 177.300 -0.394 0.000 1.230 22 P CA -0.064 62.734 63.100 -0.503 0.000 0.776 22 P CB 0.668 32.001 31.700 -0.612 0.000 0.888 23 I N 3.524 123.920 120.570 -0.289 0.000 2.433 23 I HA 0.351 4.520 4.170 -0.001 0.000 0.292 23 I C 0.408 176.418 176.117 -0.180 0.000 1.001 23 I CA -0.641 60.493 61.300 -0.277 0.000 1.119 23 I CB 1.449 39.273 38.000 -0.293 0.000 1.289 23 I HN 0.467 nan 8.210 nan 0.000 0.438 24 N N 4.478 123.089 118.700 -0.149 0.000 3.201 24 N HA 0.456 5.196 4.740 -0.001 0.000 0.344 24 N C 0.447 175.917 175.510 -0.067 0.000 1.465 24 N CA -0.515 52.477 53.050 -0.096 0.000 0.731 24 N CB 0.467 38.901 38.487 -0.088 0.000 1.677 24 N HN 0.379 nan 8.380 nan 0.000 0.631 25 A N -0.651 122.142 122.820 -0.046 0.000 2.119 25 A HA 0.147 4.466 4.320 -0.001 0.000 0.217 25 A C 1.775 179.346 177.584 -0.022 0.000 1.153 25 A CA 0.728 52.747 52.037 -0.029 0.000 0.692 25 A CB -0.896 18.089 19.000 -0.025 0.000 0.799 25 A HN 0.538 nan 8.150 nan 0.000 0.458 26 L N -1.250 119.957 121.223 -0.027 0.000 2.416 26 L HA -0.007 4.332 4.340 -0.001 0.000 0.216 26 L C 2.517 179.408 176.870 0.034 0.000 1.098 26 L CA 0.576 55.414 54.840 -0.003 0.000 0.840 26 L CB -0.310 41.732 42.059 -0.028 0.000 0.981 26 L HN 0.243 nan 8.230 nan 0.000 0.462 27 S N 0.849 116.544 115.700 -0.007 0.000 2.368 27 S HA -0.211 4.258 4.470 -0.001 0.000 0.226 27 S C 1.698 176.340 174.600 0.070 0.000 1.044 27 S CA 1.812 60.006 58.200 -0.010 0.000 1.062 27 S CB -0.403 62.711 63.200 -0.142 0.000 0.931 27 S HN 0.490 nan 8.310 nan 0.000 0.440 28 N N 1.513 120.267 118.700 0.089 0.000 2.289 28 N HA -0.073 4.666 4.740 -0.001 0.000 0.184 28 N C 1.915 177.457 175.510 0.054 0.000 1.016 28 N CA 1.323 54.441 53.050 0.113 0.000 0.872 28 N CB -0.579 37.961 38.487 0.089 0.000 0.973 28 N HN 0.627 nan 8.380 nan 0.000 0.433 29 S N 0.114 115.841 115.700 0.044 0.000 2.419 29 S HA -0.079 4.390 4.470 -0.001 0.000 0.233 29 S C 1.852 176.478 174.600 0.043 0.000 1.016 29 S CA 0.566 58.772 58.200 0.011 0.000 0.974 29 S CB -0.204 63.025 63.200 0.047 0.000 0.786 29 S HN 0.231 nan 8.310 nan 0.000 0.492 30 L N -0.040 121.228 121.223 0.074 0.000 2.262 30 L HA 0.591 4.931 4.340 -0.001 0.000 0.197 30 L C 0.210 177.136 176.870 0.093 0.000 1.073 30 L CA 0.782 55.662 54.840 0.067 0.000 0.800 30 L CB 0.210 42.092 42.059 -0.295 0.000 0.987 30 L HN 0.524 nan 8.230 nan 0.000 0.470 31 L N -1.213 120.056 121.223 0.076 0.000 2.482 31 L HA 0.404 4.743 4.340 -0.001 0.000 0.263 31 L C 0.212 177.139 176.870 0.094 0.000 0.957 31 L CA -0.531 54.349 54.840 0.068 0.000 0.836 31 L CB 1.789 43.903 42.059 0.092 0.000 1.324 31 L HN 0.011 nan 8.230 nan 0.000 0.406 32 R N 0.904 121.348 120.500 -0.093 0.000 2.225 32 R HA 0.197 4.536 4.340 -0.001 0.000 0.194 32 R C 0.111 176.192 176.300 -0.364 0.000 0.957 32 R CA 0.142 56.098 56.100 -0.240 0.000 1.042 32 R CB 0.226 30.425 30.300 -0.169 0.000 1.004 32 R HN 0.649 nan 8.270 nan 0.000 0.509 33 H N 0.567 119.531 119.070 -0.176 0.000 2.768 33 H HA 0.075 4.630 4.556 -0.001 0.000 0.219 33 H C 0.401 175.724 175.328 -0.008 0.000 1.898 33 H CA -0.326 55.650 56.048 -0.120 0.000 1.313 33 H CB -0.106 29.642 29.762 -0.023 0.000 1.701 33 H HN 0.368 nan 8.280 nan 0.000 0.534 34 H N 0.235 119.397 119.070 0.154 0.000 2.431 34 H HA -0.170 4.385 4.556 -0.001 0.000 0.297 34 H C 1.556 176.961 175.328 0.129 0.000 1.115 34 H CA 0.639 56.755 56.048 0.113 0.000 1.277 34 H CB 0.266 30.069 29.762 0.068 0.000 1.372 34 H HN 0.459 nan 8.280 nan 0.000 0.516 35 N N 0.097 118.922 118.700 0.208 0.000 2.520 35 N HA -0.073 4.667 4.740 -0.001 0.000 0.185 35 N C 1.397 177.011 175.510 0.172 0.000 1.068 35 N CA 0.680 53.824 53.050 0.156 0.000 0.911 35 N CB 0.067 38.602 38.487 0.080 0.000 0.961 35 N HN 0.433 nan 8.380 nan 0.000 0.446 36 M N -0.219 119.501 119.600 0.199 0.000 2.447 36 M HA 0.087 4.567 4.480 -0.001 0.000 0.264 36 M C 0.176 176.656 176.300 0.299 0.000 1.095 36 M CA 0.433 55.861 55.300 0.213 0.000 1.125 36 M CB 0.053 32.773 32.600 0.201 0.000 1.389 36 M HN -0.238 nan 8.290 nan 0.000 0.459 37 V N 1.199 121.299 119.914 0.309 0.000 2.532 37 V HA 0.369 4.488 4.120 -0.001 0.000 0.295 37 V C -0.675 175.691 176.094 0.453 0.000 1.041 37 V CA -0.720 61.782 62.300 0.337 0.000 0.926 37 V CB 1.059 33.055 31.823 0.288 0.000 0.992 37 V HN 0.401 nan 8.190 nan 0.000 0.457 38 Y N 1.794 122.255 120.300 0.269 0.000 2.624 38 Y HA 0.884 5.434 4.550 -0.001 0.000 0.334 38 Y C -0.611 175.386 175.900 0.161 0.000 1.155 38 Y CA -1.404 56.861 58.100 0.276 0.000 1.046 38 Y CB 1.305 39.883 38.460 0.198 0.000 1.316 38 Y HN 0.755 nan 8.280 nan 0.000 0.457 39 A N 1.503 124.397 122.820 0.122 0.000 2.350 39 A HA 0.724 5.043 4.320 -0.001 0.000 0.324 39 A C -0.120 177.537 177.584 0.121 0.000 1.118 39 A CA -0.369 51.536 52.037 -0.221 0.000 0.783 39 A CB 0.636 19.299 19.000 -0.560 0.000 1.236 39 A HN 1.140 nan 8.150 nan 0.000 0.457 40 T N -0.095 114.521 114.554 0.103 0.000 2.899 40 T HA 0.610 4.960 4.350 -0.001 0.000 0.295 40 T C 0.369 175.132 174.700 0.106 0.000 1.033 40 T CA 0.368 62.592 62.100 0.207 0.000 1.084 40 T CB 0.912 69.920 68.868 0.233 0.000 0.979 40 T HN 1.515 nan 8.240 nan 0.000 0.532 41 T N -2.320 112.298 114.554 0.106 0.000 2.812 41 T HA 0.466 4.816 4.350 -0.001 0.000 0.294 41 T C 1.341 176.073 174.700 0.053 0.000 1.159 41 T CA -0.234 61.909 62.100 0.072 0.000 1.008 41 T CB 1.152 70.069 68.868 0.082 0.000 1.289 41 T HN 0.741 nan 8.240 nan 0.000 0.514 42 S N 0.088 115.810 115.700 0.038 0.000 2.465 42 S HA -0.130 4.339 4.470 -0.001 0.000 0.241 42 S C 1.712 176.315 174.600 0.004 0.000 1.000 42 S CA 0.484 58.694 58.200 0.017 0.000 0.964 42 S CB -0.718 62.491 63.200 0.014 0.000 0.763 42 S HN 0.714 nan 8.310 nan 0.000 0.512 43 R N 1.444 121.955 120.500 0.018 0.000 2.293 43 R HA -0.010 4.329 4.340 -0.001 0.000 0.219 43 R C 1.885 178.183 176.300 -0.003 0.000 1.091 43 R CA 1.295 57.399 56.100 0.008 0.000 1.004 43 R CB -0.371 29.942 30.300 0.022 0.000 0.865 43 R HN 0.746 nan 8.270 nan 0.000 0.469 44 S N -1.516 114.186 115.700 0.002 0.000 2.559 44 S HA 0.247 4.716 4.470 -0.001 0.000 0.226 44 S C 1.774 176.354 174.600 -0.033 0.000 1.000 44 S CA 0.099 58.294 58.200 -0.008 0.000 0.948 44 S CB 0.941 64.151 63.200 0.018 0.000 0.870 44 S HN 0.228 nan 8.310 nan 0.000 0.497 45 A N 2.217 125.010 122.820 -0.046 0.000 1.917 45 A HA 0.081 4.400 4.320 -0.001 0.000 0.219 45 A C 2.277 179.766 177.584 -0.159 0.000 1.182 45 A CA 1.872 53.855 52.037 -0.089 0.000 0.633 45 A CB -1.755 17.187 19.000 -0.096 0.000 0.819 45 A HN 0.693 nan 8.150 nan 0.000 0.448 46 G N -0.422 108.283 108.800 -0.158 0.000 2.442 46 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.219 46 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.219 46 G C 1.542 176.349 174.900 -0.155 0.000 1.141 46 G CA 1.029 46.009 45.100 -0.201 0.000 0.763 46 G HN 0.457 nan 8.290 nan 0.000 0.554 47 L N -0.297 120.870 121.223 -0.093 0.000 2.056 47 L HA -0.029 4.310 4.340 -0.001 0.000 0.207 47 L C 2.919 179.762 176.870 -0.044 0.000 1.078 47 L CA 1.216 56.022 54.840 -0.056 0.000 0.749 47 L CB -0.299 41.739 42.059 -0.034 0.000 0.901 47 L HN 0.165 nan 8.230 nan 0.000 0.433 48 R N 0.514 120.982 120.500 -0.053 0.000 2.096 48 R HA -0.165 4.175 4.340 -0.001 0.000 0.235 48 R C 2.195 178.469 176.300 -0.044 0.000 1.127 48 R CA 1.520 57.605 56.100 -0.025 0.000 0.968 48 R CB -0.392 29.895 30.300 -0.021 0.000 0.861 48 R HN 0.369 nan 8.270 nan 0.000 0.440 49 Q N -0.022 119.677 119.800 -0.168 0.000 2.135 49 Q HA -0.172 4.167 4.340 -0.001 0.000 0.204 49 Q C 1.881 177.863 176.000 -0.031 0.000 0.981 49 Q CA 1.963 57.611 55.803 -0.260 0.000 0.856 49 Q CB -0.063 28.230 28.738 -0.741 0.000 0.902 49 Q HN 0.360 nan 8.270 nan 0.000 0.425 50 K N 0.570 120.954 120.400 -0.026 0.000 2.103 50 K HA -0.099 4.220 4.320 -0.001 0.000 0.204 50 K C 1.940 178.628 176.600 0.147 0.000 1.052 50 K CA 0.982 57.308 56.287 0.065 0.000 0.945 50 K CB 0.051 32.567 32.500 0.026 0.000 0.722 50 K HN 0.102 nan 8.250 nan 0.000 0.443 51 K N 0.759 121.239 120.400 0.134 0.000 2.103 51 K HA -0.074 4.245 4.320 -0.001 0.000 0.204 51 K C 1.982 178.791 176.600 0.349 0.000 1.052 51 K CA 1.384 57.790 56.287 0.199 0.000 0.945 51 K CB -0.020 32.565 32.500 0.141 0.000 0.722 51 K HN 0.100 nan 8.250 nan 0.000 0.443 52 V N -1.298 118.790 119.914 0.291 0.000 3.623 52 V HA 0.048 4.167 4.120 -0.001 0.000 0.271 52 V C 0.366 176.556 176.094 0.160 0.000 1.248 52 V CA 0.251 62.737 62.300 0.310 0.000 1.156 52 V CB -0.207 31.786 31.823 0.284 0.000 0.870 52 V HN -0.031 nan 8.190 nan 0.000 0.453 53 T N 4.435 119.143 114.554 0.257 0.000 2.781 53 T HA 0.711 5.060 4.350 -0.001 0.000 0.305 53 T C -0.747 174.058 174.700 0.175 0.000 1.001 53 T CA -0.052 62.170 62.100 0.204 0.000 0.950 53 T CB 0.130 69.258 68.868 0.432 0.000 0.955 53 T HN 0.606 nan 8.240 nan 0.000 0.471 54 F N -0.176 119.866 119.950 0.154 0.000 2.741 54 F HA 0.713 5.240 4.527 -0.001 0.000 0.313 54 F C -0.939 174.889 175.800 0.047 0.000 1.153 54 F CA -1.818 56.236 58.000 0.090 0.000 0.931 54 F CB 0.662 39.708 39.000 0.077 0.000 1.335 54 F HN 0.225 nan 8.300 nan 0.000 0.460 55 D N 0.359 120.942 120.400 0.304 0.000 2.283 55 D HA 0.548 5.187 4.640 -0.001 0.000 0.248 55 D C -0.983 175.459 176.300 0.237 0.000 1.072 55 D CA -0.023 54.079 54.000 0.171 0.000 0.929 55 D CB 0.985 41.850 40.800 0.109 0.000 1.182 55 D HN 0.594 nan 8.370 nan 0.000 0.433 56 R N 1.777 122.352 120.500 0.124 0.000 2.599 56 R HA 0.647 4.986 4.340 -0.001 0.000 0.295 56 R C -1.151 175.177 176.300 0.046 0.000 0.963 56 R CA -0.710 55.458 56.100 0.113 0.000 0.883 56 R CB 1.284 31.628 30.300 0.074 0.000 1.171 56 R HN 0.320 nan 8.270 nan 0.000 0.450 57 L N 1.572 122.814 121.223 0.033 0.000 2.370 57 L HA 0.528 4.867 4.340 -0.001 0.000 0.266 57 L C -0.850 176.014 176.870 -0.010 0.000 1.002 57 L CA -0.306 54.537 54.840 0.004 0.000 0.818 57 L CB 2.179 44.239 42.059 0.001 0.000 1.325 57 L HN 0.543 nan 8.230 nan 0.000 0.418 58 Q N 1.811 121.595 119.800 -0.027 0.000 2.305 58 Q HA 0.632 4.971 4.340 -0.001 0.000 0.271 58 Q C -1.606 174.363 176.000 -0.051 0.000 1.046 58 Q CA -0.652 55.127 55.803 -0.041 0.000 0.798 58 Q CB 3.118 31.812 28.738 -0.073 0.000 1.286 58 Q HN 0.335 nan 8.270 nan 0.000 0.435 59 V N 4.590 124.481 119.914 -0.038 0.000 2.326 59 V HA 0.369 4.488 4.120 -0.001 0.000 0.281 59 V C -0.571 175.521 176.094 -0.003 0.000 1.015 59 V CA -0.459 61.820 62.300 -0.035 0.000 0.823 59 V CB 0.991 32.788 31.823 -0.044 0.000 1.009 59 V HN 0.615 nan 8.190 nan 0.000 0.436 60 L N 5.887 127.065 121.223 -0.074 0.000 2.262 60 L HA 0.538 4.877 4.340 -0.001 0.000 0.288 60 L C 0.118 176.987 176.870 -0.001 0.000 1.035 60 L CA -0.553 54.200 54.840 -0.144 0.000 0.820 60 L CB 1.316 43.132 42.059 -0.405 0.000 1.204 60 L HN 0.659 nan 8.230 nan 0.000 0.424 61 D N 1.061 121.535 120.400 0.124 0.000 2.539 61 D HA 0.088 4.728 4.640 -0.001 0.000 0.276 61 D C 0.326 176.685 176.300 0.097 0.000 1.206 61 D CA -0.549 53.510 54.000 0.099 0.000 1.081 61 D CB 0.939 41.803 40.800 0.108 0.000 1.142 61 D HN 0.295 nan 8.370 nan 0.000 0.595 62 D N -1.238 119.162 120.400 -0.000 0.000 2.178 62 D HA -0.138 4.502 4.640 -0.001 0.000 0.202 62 D C 1.782 178.093 176.300 0.018 0.000 0.974 62 D CA 0.988 54.971 54.000 -0.028 0.000 0.841 62 D CB -0.121 40.614 40.800 -0.108 0.000 0.953 62 D HN 0.417 nan 8.370 nan 0.000 0.478 63 H N -0.320 118.811 119.070 0.101 0.000 2.387 63 H HA -0.145 4.411 4.556 -0.001 0.000 0.299 63 H C 1.957 177.318 175.328 0.055 0.000 1.090 63 H CA 0.825 56.922 56.048 0.082 0.000 1.332 63 H CB -0.568 29.265 29.762 0.118 0.000 1.386 63 H HN 0.325 nan 8.280 nan 0.000 0.516 64 Y N 1.862 122.191 120.300 0.047 0.000 2.114 64 Y HA -0.188 4.361 4.550 -0.001 0.000 0.284 64 Y C 2.645 178.494 175.900 -0.085 0.000 1.143 64 Y CA 1.540 59.548 58.100 -0.152 0.000 1.135 64 Y CB -0.064 38.207 38.460 -0.316 0.000 0.980 64 Y HN -0.064 nan 8.280 nan 0.000 0.499 65 R N 0.080 120.664 120.500 0.140 0.000 2.120 65 R HA -0.147 4.193 4.340 -0.001 0.000 0.234 65 R C 1.750 178.032 176.300 -0.029 0.000 1.123 65 R CA 1.397 57.519 56.100 0.037 0.000 0.975 65 R CB -0.324 30.027 30.300 0.085 0.000 0.866 65 R HN 0.401 nan 8.270 nan 0.000 0.446 66 D N 0.151 120.556 120.400 0.007 0.000 2.084 66 D HA -0.128 4.511 4.640 -0.001 0.000 0.194 66 D C 1.954 178.238 176.300 -0.027 0.000 0.990 66 D CA 1.100 55.106 54.000 0.010 0.000 0.826 66 D CB -0.239 40.599 40.800 0.064 0.000 0.971 66 D HN -0.033 nan 8.370 nan 0.000 0.453 67 V N 1.006 120.885 119.914 -0.059 0.000 2.343 67 V HA -0.211 3.909 4.120 -0.001 0.000 0.247 67 V C 2.464 178.487 176.094 -0.119 0.000 1.051 67 V CA 1.086 63.334 62.300 -0.087 0.000 1.036 67 V CB -0.435 31.306 31.823 -0.138 0.000 0.654 67 V HN 0.145 nan 8.190 nan 0.000 0.451 68 L N 0.562 121.651 121.223 -0.223 0.000 2.046 68 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 68 L C 2.427 179.231 176.870 -0.109 0.000 1.077 68 L CA 2.320 57.030 54.840 -0.216 0.000 0.747 68 L CB -0.776 41.093 42.059 -0.316 0.000 0.896 68 L HN 0.286 nan 8.230 nan 0.000 0.432 69 K N -0.483 119.870 120.400 -0.077 0.000 2.097 69 K HA -0.217 4.102 4.320 -0.001 0.000 0.206 69 K C 1.927 178.509 176.600 -0.031 0.000 1.049 69 K CA 1.890 58.151 56.287 -0.043 0.000 0.933 69 K CB -0.128 32.357 32.500 -0.025 0.000 0.717 69 K HN 0.522 nan 8.250 nan 0.000 0.442 70 E N 0.163 120.349 120.200 -0.023 0.000 2.072 70 E HA -0.184 4.165 4.350 -0.001 0.000 0.191 70 E C 2.096 178.691 176.600 -0.008 0.000 0.985 70 E CA 1.552 57.949 56.400 -0.005 0.000 0.801 70 E CB -0.075 29.633 29.700 0.014 0.000 0.750 70 E HN 0.356 nan 8.360 nan 0.000 0.452 71 M N 0.596 120.187 119.600 -0.015 0.000 2.117 71 M HA -0.178 4.301 4.480 -0.001 0.000 0.262 71 M C 2.101 178.370 176.300 -0.051 0.000 1.065 71 M CA 1.473 56.754 55.300 -0.031 0.000 1.114 71 M CB -0.097 32.482 32.600 -0.036 0.000 1.361 71 M HN -0.059 nan 8.290 nan 0.000 0.408 72 K N 0.088 120.458 120.400 -0.051 0.000 2.148 72 K HA -0.057 4.262 4.320 -0.001 0.000 0.204 72 K C 2.076 178.657 176.600 -0.031 0.000 1.050 72 K CA 1.222 57.482 56.287 -0.045 0.000 0.942 72 K CB -0.200 32.274 32.500 -0.044 0.000 0.724 72 K HN 0.296 nan 8.250 nan 0.000 0.446 73 A N 2.034 124.839 122.820 -0.025 0.000 1.877 73 A HA -0.201 4.119 4.320 -0.001 0.000 0.216 73 A C 1.887 179.459 177.584 -0.021 0.000 1.186 73 A CA 1.529 53.555 52.037 -0.018 0.000 0.620 73 A CB -0.252 18.741 19.000 -0.011 0.000 0.822 73 A HN 0.185 nan 8.150 nan 0.000 0.443 74 K N -0.286 120.097 120.400 -0.028 0.000 2.057 74 K HA 0.008 4.327 4.320 -0.001 0.000 0.206 74 K C 2.250 178.825 176.600 -0.042 0.000 1.050 74 K CA 1.023 57.288 56.287 -0.037 0.000 0.935 74 K CB -0.328 32.142 32.500 -0.050 0.000 0.715 74 K HN 0.417 nan 8.250 nan 0.000 0.439 75 A N 1.638 124.430 122.820 -0.046 0.000 2.024 75 A HA -0.174 4.145 4.320 -0.001 0.000 0.220 75 A C 2.109 179.681 177.584 -0.020 0.000 1.164 75 A CA 2.016 54.031 52.037 -0.038 0.000 0.643 75 A CB -0.655 18.324 19.000 -0.035 0.000 0.806 75 A HN 0.396 nan 8.150 nan 0.000 0.451 76 S N -0.342 115.347 115.700 -0.017 0.000 2.547 76 S HA -0.089 4.380 4.470 -0.001 0.000 0.235 76 S C 1.523 176.119 174.600 -0.008 0.000 0.980 76 S CA 1.542 59.737 58.200 -0.008 0.000 0.941 76 S CB -1.006 62.190 63.200 -0.007 0.000 0.763 76 S HN 0.783 nan 8.310 nan 0.000 0.532 77 T N -1.198 113.347 114.554 -0.015 0.000 3.107 77 T HA 0.337 4.686 4.350 -0.001 0.000 0.249 77 T C 0.359 175.050 174.700 -0.015 0.000 1.096 77 T CA -0.266 61.825 62.100 -0.014 0.000 1.012 77 T CB -0.221 68.637 68.868 -0.017 0.000 0.977 77 T HN 0.157 nan 8.240 nan 0.000 0.527 78 V N 2.070 121.973 119.914 -0.017 0.000 2.498 78 V HA 0.423 4.543 4.120 -0.001 0.000 0.279 78 V C 0.032 176.122 176.094 -0.006 0.000 1.048 78 V CA -0.832 61.457 62.300 -0.018 0.000 0.967 78 V CB 1.325 33.131 31.823 -0.027 0.000 0.988 78 V HN 0.397 nan 8.190 nan 0.000 0.473 79 K N 3.985 124.381 120.400 -0.006 0.000 2.358 79 K HA 0.774 5.093 4.320 -0.001 0.000 0.260 79 K C -0.709 175.892 176.600 0.002 0.000 0.956 79 K CA -0.396 55.892 56.287 0.002 0.000 0.834 79 K CB 1.514 34.016 32.500 0.003 0.000 1.102 79 K HN 0.809 nan 8.250 nan 0.000 0.431 80 A N 3.902 126.728 122.820 0.009 0.000 2.374 80 A HA 0.556 4.875 4.320 -0.001 0.000 0.317 80 A C -1.291 176.307 177.584 0.024 0.000 1.094 80 A CA -0.957 51.087 52.037 0.010 0.000 0.765 80 A CB 1.017 20.019 19.000 0.003 0.000 1.268 80 A HN 0.846 nan 8.150 nan 0.000 0.438 81 K N 0.937 121.354 120.400 0.028 0.000 2.166 81 K HA 0.750 5.069 4.320 -0.001 0.000 0.245 81 K C -0.964 175.661 176.600 0.042 0.000 0.967 81 K CA -0.755 55.552 56.287 0.032 0.000 0.863 81 K CB 1.287 33.802 32.500 0.025 0.000 1.107 81 K HN 0.358 nan 8.250 nan 0.000 0.436 82 L N 2.442 123.687 121.223 0.036 0.000 2.349 82 L HA 0.252 4.592 4.340 -0.001 0.000 0.275 82 L C -0.828 176.028 176.870 -0.022 0.000 1.115 82 L CA -0.475 54.380 54.840 0.024 0.000 0.820 82 L CB 0.674 42.750 42.059 0.029 0.000 1.135 82 L HN 0.645 nan 8.230 nan 0.000 0.445 83 L N 3.104 124.297 121.223 -0.049 0.000 2.399 83 L HA 0.442 4.782 4.340 -0.001 0.000 0.266 83 L C 0.490 177.261 176.870 -0.164 0.000 1.114 83 L CA 0.321 55.116 54.840 -0.076 0.000 0.804 83 L CB 1.426 43.447 42.059 -0.062 0.000 1.146 83 L HN 0.868 nan 8.230 nan 0.000 0.451 84 S N 0.970 116.585 115.700 -0.143 0.000 2.645 84 S HA 0.274 4.743 4.470 -0.001 0.000 0.266 84 S C 1.201 175.674 174.600 -0.213 0.000 1.258 84 S CA -0.674 57.423 58.200 -0.171 0.000 0.990 84 S CB 0.935 64.069 63.200 -0.111 0.000 0.967 84 S HN 0.335 nan 8.310 nan 0.000 0.556 85 V N 2.123 121.893 119.914 -0.239 0.000 2.295 85 V HA -0.180 3.940 4.120 -0.001 0.000 0.246 85 V C 2.903 178.894 176.094 -0.172 0.000 1.049 85 V CA 2.255 64.399 62.300 -0.261 0.000 1.024 85 V CB -1.191 30.447 31.823 -0.308 0.000 0.648 85 V HN 0.994 nan 8.190 nan 0.000 0.447 86 E N 0.427 120.551 120.200 -0.125 0.000 2.085 86 E HA -0.302 4.048 4.350 -0.001 0.000 0.194 86 E C 1.941 178.479 176.600 -0.102 0.000 0.994 86 E CA 1.765 58.108 56.400 -0.096 0.000 0.801 86 E CB -0.512 29.146 29.700 -0.070 0.000 0.743 86 E HN 0.715 nan 8.360 nan 0.000 0.453 87 E N 1.208 121.341 120.200 -0.111 0.000 2.077 87 E HA -0.131 4.219 4.350 -0.001 0.000 0.193 87 E C 2.186 178.690 176.600 -0.160 0.000 0.989 87 E CA 1.234 57.561 56.400 -0.121 0.000 0.800 87 E CB -0.184 29.450 29.700 -0.111 0.000 0.746 87 E HN 0.394 nan 8.360 nan 0.000 0.452 88 A N 0.733 123.453 122.820 -0.166 0.000 1.902 88 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 88 A C 2.441 179.940 177.584 -0.141 0.000 1.181 88 A CA 1.267 53.200 52.037 -0.173 0.000 0.623 88 A CB -0.883 18.023 19.000 -0.155 0.000 0.818 88 A HN 0.371 nan 8.150 nan 0.000 0.443 89 C N -0.224 119.006 119.300 -0.118 0.000 2.413 89 C HA -0.069 4.390 4.460 -0.001 0.000 0.276 89 C C 2.553 177.492 174.990 -0.085 0.000 1.236 89 C CA 1.237 60.202 59.018 -0.087 0.000 1.735 89 C CB -0.784 26.907 27.740 -0.082 0.000 2.031 89 C HN 0.489 nan 8.230 nan 0.000 0.474 90 K N 0.904 121.251 120.400 -0.088 0.000 2.360 90 K HA 0.035 4.354 4.320 -0.001 0.000 0.201 90 K C 1.426 177.996 176.600 -0.051 0.000 1.046 90 K CA 0.864 57.113 56.287 -0.062 0.000 0.945 90 K CB -0.496 31.970 32.500 -0.058 0.000 0.750 90 K HN 0.547 nan 8.250 nan 0.000 0.464 91 L N 0.922 122.076 121.223 -0.115 0.000 2.591 91 L HA 0.021 4.360 4.340 -0.001 0.000 0.228 91 L C 0.183 177.000 176.870 -0.089 0.000 1.133 91 L CA 0.116 54.871 54.840 -0.143 0.000 0.880 91 L CB -0.022 41.831 42.059 -0.343 0.000 1.033 91 L HN -0.100 nan 8.230 nan 0.000 0.450 92 T N 1.376 115.882 114.554 -0.081 0.000 2.780 92 T HA 0.230 4.580 4.350 -0.001 0.000 0.294 92 T C -2.323 172.274 174.700 -0.172 0.000 0.949 92 T CA -1.223 60.821 62.100 -0.094 0.000 1.074 92 T CB 1.098 69.921 68.868 -0.075 0.000 0.910 92 T HN -0.164 nan 8.240 nan 0.000 0.501 93 P HA 0.088 nan 4.420 nan 0.000 0.264 93 P C -1.856 175.232 177.300 -0.352 0.000 1.183 93 P CA -1.134 61.778 63.100 -0.313 0.000 0.763 93 P CB 0.216 31.841 31.700 -0.125 0.000 0.807 94 P HA -0.161 nan 4.420 nan 0.000 0.217 94 P C 0.234 177.291 177.300 -0.405 0.000 1.148 94 P CA 1.682 64.531 63.100 -0.418 0.000 0.828 94 P CB -0.095 31.355 31.700 -0.416 0.000 0.783 95 H N -2.662 116.297 119.070 -0.186 0.000 2.486 95 H HA 0.291 4.846 4.556 -0.001 0.000 0.284 95 H C 0.411 175.669 175.328 -0.116 0.000 1.103 95 H CA -0.355 55.620 56.048 -0.122 0.000 1.089 95 H CB -0.277 29.427 29.762 -0.097 0.000 1.603 95 H HN -0.047 nan 8.280 nan 0.000 0.557 96 S N 1.202 116.869 115.700 -0.054 0.000 2.568 96 S HA 0.342 4.811 4.470 -0.001 0.000 0.282 96 S C 0.782 175.344 174.600 -0.064 0.000 1.338 96 S CA -0.407 57.748 58.200 -0.075 0.000 1.045 96 S CB 0.169 63.321 63.200 -0.080 0.000 0.873 96 S HN 0.564 nan 8.310 nan 0.000 0.516 97 A N 4.528 127.297 122.820 -0.085 0.000 2.584 97 A HA 0.177 4.497 4.320 -0.001 0.000 0.239 97 A C 0.571 178.143 177.584 -0.019 0.000 1.043 97 A CA 0.098 52.111 52.037 -0.040 0.000 0.756 97 A CB -0.277 18.710 19.000 -0.022 0.000 0.963 97 A HN 0.853 nan 8.150 nan 0.000 0.511 98 K N 2.363 122.740 120.400 -0.039 0.000 2.276 98 K HA 0.353 4.673 4.320 -0.001 0.000 0.259 98 K C 0.389 176.895 176.600 -0.157 0.000 1.001 98 K CA 0.049 56.275 56.287 -0.103 0.000 0.927 98 K CB 0.451 32.892 32.500 -0.099 0.000 0.969 98 K HN 0.452 nan 8.250 nan 0.000 0.490 99 S N 0.330 115.816 115.700 -0.356 0.000 2.593 99 S HA 0.057 4.526 4.470 -0.001 0.000 0.269 99 S C 0.512 174.887 174.600 -0.375 0.000 1.334 99 S CA -0.564 57.382 58.200 -0.423 0.000 1.015 99 S CB 0.595 63.198 63.200 -0.994 0.000 0.912 99 S HN 0.681 nan 8.310 nan 0.000 0.541 100 K N 1.908 122.048 120.400 -0.434 0.000 2.487 100 K HA 0.082 4.401 4.320 -0.001 0.000 0.192 100 K C -0.145 175.972 176.600 -0.804 0.000 1.027 100 K CA 0.590 56.518 56.287 -0.599 0.000 1.054 100 K CB -0.044 32.026 32.500 -0.716 0.000 0.824 100 K HN 0.582 nan 8.250 nan 0.000 0.510 101 F N 0.284 120.066 119.950 -0.281 0.000 2.668 101 F HA 0.240 4.766 4.527 -0.001 0.000 0.297 101 F C 1.097 176.836 175.800 -0.102 0.000 1.124 101 F CA -0.337 57.520 58.000 -0.237 0.000 1.353 101 F CB 0.818 39.523 39.000 -0.492 0.000 0.992 101 F HN 0.078 nan 8.300 nan 0.000 0.524 102 G N 0.467 109.251 108.800 -0.027 0.000 2.140 102 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.211 102 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.211 102 G C -0.439 174.571 174.900 0.184 0.000 1.013 102 G CA -0.021 45.122 45.100 0.071 0.000 0.705 102 G HN 0.533 nan 8.290 nan 0.000 0.508 103 Y N -2.616 117.677 120.300 -0.012 0.000 2.641 103 Y HA 0.743 5.293 4.550 -0.001 0.000 0.333 103 Y C 0.315 176.212 175.900 -0.005 0.000 1.174 103 Y CA -1.027 57.071 58.100 -0.004 0.000 1.057 103 Y CB 0.490 38.957 38.460 0.011 0.000 1.322 103 Y HN 0.716 nan 8.280 nan 0.000 0.457 104 G N 0.077 108.942 108.800 0.108 0.000 3.016 104 G HA2 0.547 4.507 3.960 -0.001 0.000 0.270 104 G HA3 0.547 4.507 3.960 -0.001 0.000 0.270 104 G C 0.277 175.216 174.900 0.065 0.000 1.352 104 G CA -0.776 44.328 45.100 0.007 0.000 1.060 104 G HN 1.238 nan 8.290 nan 0.000 0.538 105 A N -0.635 122.175 122.820 -0.017 0.000 1.972 105 A HA 0.027 4.346 4.320 -0.001 0.000 0.219 105 A C 2.253 179.798 177.584 -0.065 0.000 1.169 105 A CA 1.617 53.629 52.037 -0.042 0.000 0.635 105 A CB -0.261 18.675 19.000 -0.105 0.000 0.810 105 A HN 0.359 nan 8.150 nan 0.000 0.446 106 K N 0.414 120.766 120.400 -0.079 0.000 2.103 106 K HA -0.062 4.258 4.320 -0.001 0.000 0.204 106 K C 1.347 177.926 176.600 -0.035 0.000 1.052 106 K CA 1.162 57.396 56.287 -0.088 0.000 0.945 106 K CB -0.573 31.864 32.500 -0.104 0.000 0.722 106 K HN 0.472 nan 8.250 nan 0.000 0.443 107 D N 0.773 121.183 120.400 0.017 0.000 2.123 107 D HA -0.123 4.516 4.640 -0.001 0.000 0.196 107 D C 2.010 178.317 176.300 0.013 0.000 0.992 107 D CA 0.860 54.882 54.000 0.037 0.000 0.833 107 D CB -0.068 40.804 40.800 0.121 0.000 0.954 107 D HN -0.107 nan 8.370 nan 0.000 0.455 108 V N 1.156 121.102 119.914 0.054 0.000 2.307 108 V HA -0.202 3.918 4.120 -0.001 0.000 0.245 108 V C 2.444 178.518 176.094 -0.032 0.000 1.045 108 V CA 1.505 63.816 62.300 0.019 0.000 1.024 108 V CB -0.328 31.541 31.823 0.077 0.000 0.651 108 V HN 0.125 nan 8.190 nan 0.000 0.449 109 R N 0.384 120.856 120.500 -0.047 0.000 2.193 109 R HA -0.078 4.261 4.340 -0.001 0.000 0.229 109 R C 1.628 177.895 176.300 -0.055 0.000 1.110 109 R CA 1.159 57.219 56.100 -0.067 0.000 0.988 109 R CB -0.280 29.959 30.300 -0.101 0.000 0.871 109 R HN 0.497 nan 8.270 nan 0.000 0.458 110 N N 0.591 119.262 118.700 -0.048 0.000 2.336 110 N HA 0.097 4.837 4.740 -0.001 0.000 0.189 110 N C 0.115 175.601 175.510 -0.041 0.000 1.113 110 N CA 0.216 53.242 53.050 -0.041 0.000 0.858 110 N CB 0.388 38.853 38.487 -0.036 0.000 0.970 110 N HN 0.100 nan 8.380 nan 0.000 0.471 111 L N 0.904 122.097 121.223 -0.049 0.000 3.634 111 L HA -0.218 4.122 4.340 -0.001 0.000 0.423 111 L C 0.222 177.060 176.870 -0.054 0.000 1.253 111 L CA -0.066 54.741 54.840 -0.055 0.000 0.885 111 L CB -2.604 39.426 42.059 -0.047 0.000 1.789 111 L HN 0.144 nan 8.230 nan 0.000 0.904 112 S N -0.863 114.802 115.700 -0.059 0.000 2.573 112 S HA 0.238 4.708 4.470 -0.001 0.000 0.277 112 S C 1.508 176.065 174.600 -0.073 0.000 1.346 112 S CA -0.015 58.152 58.200 -0.055 0.000 1.034 112 S CB 1.713 64.886 63.200 -0.046 0.000 0.879 112 S HN 0.531 nan 8.310 nan 0.000 0.528 113 S N 2.364 118.034 115.700 -0.051 0.000 2.399 113 S HA -0.174 4.295 4.470 -0.001 0.000 0.231 113 S C 1.694 176.254 174.600 -0.066 0.000 1.022 113 S CA 1.095 59.268 58.200 -0.046 0.000 0.983 113 S CB -0.561 62.623 63.200 -0.027 0.000 0.803 113 S HN 0.847 nan 8.310 nan 0.000 0.480 114 K N 1.523 121.874 120.400 -0.082 0.000 2.025 114 K HA 0.039 4.358 4.320 -0.001 0.000 0.207 114 K C 2.389 178.823 176.600 -0.277 0.000 1.049 114 K CA 1.091 57.319 56.287 -0.099 0.000 0.933 114 K CB -0.609 31.866 32.500 -0.041 0.000 0.714 114 K HN 0.439 nan 8.250 nan 0.000 0.438 115 A N 0.629 123.163 122.820 -0.476 0.000 1.858 115 A HA -0.114 4.205 4.320 -0.001 0.000 0.216 115 A C 2.241 179.552 177.584 -0.455 0.000 1.190 115 A CA 1.692 53.154 52.037 -0.958 0.000 0.617 115 A CB -0.763 17.846 19.000 -0.652 0.000 0.827 115 A HN 0.164 nan 8.150 nan 0.000 0.443 116 V N 0.966 120.743 119.914 -0.228 0.000 2.332 116 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 116 V C 2.345 178.437 176.094 -0.004 0.000 1.055 116 V CA 2.226 64.460 62.300 -0.109 0.000 1.038 116 V CB -1.094 30.709 31.823 -0.034 0.000 0.651 116 V HN 0.537 nan 8.190 nan 0.000 0.450 117 N N -0.540 118.160 118.700 -0.000 0.000 2.120 117 N HA -0.181 4.559 4.740 -0.001 0.000 0.188 117 N C 1.893 177.432 175.510 0.048 0.000 1.024 117 N CA 1.600 54.682 53.050 0.053 0.000 0.852 117 N CB -0.546 37.953 38.487 0.020 0.000 1.003 117 N HN 0.657 nan 8.380 nan 0.000 0.424 118 H N 0.348 119.361 119.070 -0.096 0.000 2.389 118 H HA 0.059 4.615 4.556 -0.001 0.000 0.299 118 H C 2.018 177.324 175.328 -0.037 0.000 1.081 118 H CA 0.871 56.880 56.048 -0.065 0.000 1.345 118 H CB 0.009 29.761 29.762 -0.016 0.000 1.393 118 H HN 0.151 nan 8.280 nan 0.000 0.520 119 I N 0.469 120.950 120.570 -0.148 0.000 2.226 119 I HA -0.292 3.877 4.170 -0.001 0.000 0.245 119 I C 2.584 178.593 176.117 -0.179 0.000 1.100 119 I CA 1.043 62.238 61.300 -0.175 0.000 1.374 119 I CB -0.405 37.488 38.000 -0.178 0.000 1.057 119 I HN 0.345 nan 8.210 nan 0.000 0.413 120 H N 0.109 119.133 119.070 -0.077 0.000 2.421 120 H HA -0.102 4.453 4.556 -0.001 0.000 0.298 120 H C 2.576 177.903 175.328 -0.003 0.000 1.087 120 H CA 1.831 57.869 56.048 -0.017 0.000 1.330 120 H CB -0.096 29.646 29.762 -0.033 0.000 1.388 120 H HN 0.400 nan 8.280 nan 0.000 0.526 121 S N 0.069 115.775 115.700 0.011 0.000 2.428 121 S HA -0.050 4.420 4.470 -0.001 0.000 0.230 121 S C 2.298 176.826 174.600 -0.121 0.000 1.014 121 S CA 0.863 59.031 58.200 -0.053 0.000 0.957 121 S CB -0.632 62.513 63.200 -0.093 0.000 0.784 121 S HN 0.068 nan 8.310 nan 0.000 0.499 122 V N 0.874 120.658 119.914 -0.217 0.000 2.323 122 V HA -0.086 4.033 4.120 -0.001 0.000 0.244 122 V C 2.238 178.317 176.094 -0.026 0.000 1.041 122 V CA 1.640 63.830 62.300 -0.183 0.000 1.025 122 V CB -1.060 30.624 31.823 -0.232 0.000 0.656 122 V HN 0.710 nan 8.190 nan 0.000 0.451 123 W N 1.614 122.834 121.300 -0.134 0.000 2.335 123 W HA -0.269 4.390 4.660 -0.001 0.000 0.311 123 W C 2.531 179.020 176.519 -0.051 0.000 1.213 123 W CA 2.483 59.780 57.345 -0.081 0.000 1.274 123 W CB -0.149 29.266 29.460 -0.074 0.000 1.148 123 W HN 0.248 nan 8.180 nan 0.000 0.498 124 K N 0.572 121.030 120.400 0.096 0.000 2.063 124 K HA -0.280 4.040 4.320 -0.001 0.000 0.208 124 K C 1.771 178.307 176.600 -0.106 0.000 1.048 124 K CA 2.317 58.599 56.287 -0.007 0.000 0.928 124 K CB -0.646 31.885 32.500 0.052 0.000 0.713 124 K HN 0.039 nan 8.250 nan 0.000 0.442 125 D N 0.233 120.575 120.400 -0.097 0.000 2.117 125 D HA -0.154 4.486 4.640 -0.001 0.000 0.197 125 D C 1.984 178.191 176.300 -0.156 0.000 0.987 125 D CA 1.040 54.975 54.000 -0.108 0.000 0.829 125 D CB 0.036 40.778 40.800 -0.096 0.000 0.961 125 D HN 0.231 nan 8.370 nan 0.000 0.460 126 L N -0.054 121.035 121.223 -0.222 0.000 2.042 126 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 126 L C 2.507 179.186 176.870 -0.319 0.000 1.076 126 L CA 0.762 55.428 54.840 -0.289 0.000 0.749 126 L CB -0.386 41.425 42.059 -0.414 0.000 0.893 126 L HN 0.237 nan 8.230 nan 0.000 0.432 127 L N -0.763 120.230 121.223 -0.383 0.000 2.141 127 L HA -0.165 4.174 4.340 -0.001 0.000 0.209 127 L C 2.477 179.246 176.870 -0.169 0.000 1.094 127 L CA 1.158 55.817 54.840 -0.301 0.000 0.763 127 L CB -0.452 41.429 42.059 -0.296 0.000 0.908 127 L HN 0.355 nan 8.230 nan 0.000 0.437 128 E N -0.915 119.204 120.200 -0.135 0.000 2.190 128 E HA -0.059 4.290 4.350 -0.001 0.000 0.191 128 E C 0.303 176.857 176.600 -0.077 0.000 0.978 128 E CA 0.304 56.652 56.400 -0.087 0.000 0.839 128 E CB 0.190 29.849 29.700 -0.067 0.000 0.787 128 E HN 0.247 nan 8.360 nan 0.000 0.473 129 D N 0.915 121.262 120.400 -0.089 0.000 2.425 129 D HA 0.059 4.698 4.640 -0.001 0.000 0.240 129 D C 0.005 176.256 176.300 -0.082 0.000 1.080 129 D CA -0.310 53.647 54.000 -0.071 0.000 0.836 129 D CB 1.518 42.281 40.800 -0.061 0.000 1.125 129 D HN -0.058 nan 8.370 nan 0.000 0.525 130 T N 0.404 114.918 114.554 -0.066 0.000 3.174 130 T HA 0.242 4.591 4.350 -0.001 0.000 0.269 130 T C 0.942 175.614 174.700 -0.046 0.000 1.017 130 T CA -0.145 61.916 62.100 -0.066 0.000 0.899 130 T CB 0.210 69.043 68.868 -0.057 0.000 1.077 130 T HN 0.150 nan 8.240 nan 0.000 0.552 131 V N 0.109 119.999 119.914 -0.039 0.000 3.251 131 V HA 0.190 4.309 4.120 -0.001 0.000 0.239 131 V C 0.917 177.003 176.094 -0.015 0.000 1.332 131 V CA 0.212 62.498 62.300 -0.023 0.000 1.224 131 V CB 0.260 32.072 31.823 -0.019 0.000 1.004 131 V HN 0.459 nan 8.190 nan 0.000 0.464 132 T N 4.101 118.645 114.554 -0.018 0.000 2.793 132 T HA 0.173 4.523 4.350 -0.001 0.000 0.289 132 T C -2.429 172.272 174.700 0.003 0.000 0.956 132 T CA -0.470 61.628 62.100 -0.004 0.000 1.177 132 T CB 0.623 69.488 68.868 -0.005 0.000 0.897 132 T HN 0.154 nan 8.240 nan 0.000 0.533 133 P HA 0.121 nan 4.420 nan 0.000 0.264 133 P C -0.180 177.132 177.300 0.019 0.000 1.183 133 P CA 0.045 63.170 63.100 0.043 0.000 0.763 133 P CB 0.332 32.107 31.700 0.125 0.000 0.807 134 I N 2.480 123.045 120.570 -0.009 0.000 2.440 134 I HA 0.152 4.322 4.170 -0.001 0.000 0.294 134 I C 0.939 177.050 176.117 -0.010 0.000 0.995 134 I CA -0.454 60.842 61.300 -0.008 0.000 1.306 134 I CB 0.914 38.896 38.000 -0.030 0.000 1.407 134 I HN 0.332 nan 8.210 nan 0.000 0.501 135 D N 4.094 124.500 120.400 0.010 0.000 2.382 135 D HA 0.252 4.891 4.640 -0.001 0.000 0.240 135 D C -0.434 175.834 176.300 -0.054 0.000 1.146 135 D CA 0.212 54.205 54.000 -0.011 0.000 0.897 135 D CB 0.838 41.644 40.800 0.011 0.000 1.197 135 D HN 0.624 nan 8.370 nan 0.000 0.432 136 T N -0.919 113.577 114.554 -0.097 0.000 2.883 136 T HA 0.576 4.925 4.350 -0.001 0.000 0.301 136 T C -0.499 174.061 174.700 -0.233 0.000 1.158 136 T CA -0.988 61.008 62.100 -0.174 0.000 1.007 136 T CB 1.497 70.289 68.868 -0.127 0.000 1.186 136 T HN 0.237 nan 8.240 nan 0.000 0.499 137 T N 2.089 116.368 114.554 -0.459 0.000 2.867 137 T HA 0.633 4.982 4.350 -0.001 0.000 0.282 137 T C -0.475 174.049 174.700 -0.293 0.000 1.000 137 T CA -0.637 61.201 62.100 -0.437 0.000 1.042 137 T CB 0.841 69.260 68.868 -0.748 0.000 0.973 137 T HN 0.740 nan 8.240 nan 0.000 0.465 138 I N 3.825 124.349 120.570 -0.075 0.000 2.433 138 I HA 0.553 4.722 4.170 -0.001 0.000 0.292 138 I C -1.077 175.094 176.117 0.090 0.000 1.001 138 I CA -0.836 60.493 61.300 0.048 0.000 1.119 138 I CB 0.818 38.874 38.000 0.093 0.000 1.289 138 I HN 0.419 nan 8.210 nan 0.000 0.438 139 M N 6.061 125.753 119.600 0.152 0.000 2.658 139 M HA 0.544 5.023 4.480 -0.001 0.000 0.295 139 M C -0.732 175.628 176.300 0.100 0.000 1.248 139 M CA -0.651 54.731 55.300 0.138 0.000 0.843 139 M CB 1.884 34.609 32.600 0.208 0.000 1.749 139 M HN 0.597 nan 8.290 nan 0.000 0.464 140 A N 1.763 124.623 122.820 0.067 0.000 2.276 140 A HA 0.546 4.866 4.320 -0.001 0.000 0.316 140 A C -0.235 177.380 177.584 0.052 0.000 1.229 140 A CA -0.626 51.442 52.037 0.051 0.000 0.851 140 A CB 0.393 19.410 19.000 0.030 0.000 1.165 140 A HN 0.740 nan 8.150 nan 0.000 0.513 141 K N 2.120 122.552 120.400 0.054 0.000 2.350 141 K HA 0.093 4.412 4.320 -0.001 0.000 0.279 141 K C -0.613 175.994 176.600 0.011 0.000 1.027 141 K CA 0.182 56.487 56.287 0.031 0.000 0.969 141 K CB 0.572 33.096 32.500 0.040 0.000 0.954 141 K HN 0.747 nan 8.250 nan 0.000 0.474 142 N N 2.776 121.453 118.700 -0.038 0.000 2.485 142 N HA 0.096 4.835 4.740 -0.001 0.000 0.243 142 N C -1.151 174.240 175.510 -0.198 0.000 0.987 142 N CA -0.260 52.736 53.050 -0.090 0.000 0.940 142 N CB 0.922 39.355 38.487 -0.090 0.000 1.122 142 N HN 0.397 nan 8.380 nan 0.000 0.509 143 E N 1.103 121.169 120.200 -0.225 0.000 2.266 143 E HA 0.383 4.732 4.350 -0.001 0.000 0.268 143 E C -0.909 175.270 176.600 -0.703 0.000 0.879 143 E CA -0.880 55.260 56.400 -0.432 0.000 0.762 143 E CB 2.608 32.119 29.700 -0.316 0.000 1.199 143 E HN 0.110 nan 8.360 nan 0.000 0.422 144 V N 3.433 122.787 119.914 -0.932 0.000 2.567 144 V HA 0.470 4.589 4.120 -0.001 0.000 0.289 144 V C -0.682 174.730 176.094 -1.137 0.000 1.049 144 V CA 0.012 61.768 62.300 -0.906 0.000 0.969 144 V CB 0.215 31.613 31.823 -0.709 0.000 0.995 144 V HN 0.519 nan 8.190 nan 0.000 0.471 145 F N 1.949 121.546 119.950 -0.589 0.000 2.754 145 F HA 0.620 5.146 4.527 -0.001 0.000 0.320 145 F C -0.054 175.568 175.800 -0.296 0.000 1.156 145 F CA -0.695 57.040 58.000 -0.442 0.000 0.950 145 F CB 1.301 40.014 39.000 -0.478 0.000 1.388 145 F HN 0.541 nan 8.300 nan 0.000 0.485 146 C N 2.101 121.532 119.300 0.219 0.000 2.435 146 C HA 0.836 5.296 4.460 -0.001 0.000 0.333 146 C C -0.066 175.162 174.990 0.397 0.000 1.202 146 C CA -0.689 58.490 59.018 0.268 0.000 1.830 146 C CB 0.488 28.326 27.740 0.163 0.000 2.326 146 C HN 0.741 nan 8.230 nan 0.000 0.507 147 V N 3.843 123.979 119.914 0.370 0.000 3.209 147 V HA 0.401 4.521 4.120 -0.001 0.000 0.305 147 V C -0.125 176.051 176.094 0.137 0.000 1.127 147 V CA 0.761 63.200 62.300 0.231 0.000 1.235 147 V CB -0.109 31.779 31.823 0.108 0.000 0.987 147 V HN 1.522 nan 8.190 nan 0.000 0.499 155 K N 2.559 122.953 120.400 -0.009 0.000 2.118 155 K HA 0.531 4.850 4.320 -0.001 0.000 0.267 155 K C -2.244 174.370 176.600 0.023 0.000 0.991 155 K CA -1.590 54.671 56.287 -0.043 0.000 0.916 155 K CB 1.360 33.756 32.500 -0.174 0.000 1.041 155 K HN 0.139 nan 8.250 nan 0.000 0.455 156 P HA 0.016 nan 4.420 nan 0.000 0.274 156 P C -0.556 176.782 177.300 0.063 0.000 1.246 156 P CA -0.418 62.703 63.100 0.035 0.000 0.795 156 P CB 0.690 32.395 31.700 0.008 0.000 1.006 157 A N 2.837 125.705 122.820 0.079 0.000 2.531 157 A HA 0.093 4.412 4.320 -0.001 0.000 0.236 157 A C 0.720 178.351 177.584 0.078 0.000 1.062 157 A CA -0.010 52.085 52.037 0.096 0.000 0.760 157 A CB -0.292 18.752 19.000 0.073 0.000 0.995 157 A HN 0.465 nan 8.150 nan 0.000 0.501 158 R N 0.214 120.777 120.500 0.105 0.000 2.577 158 R HA 0.436 4.775 4.340 -0.001 0.000 0.269 158 R C -1.064 175.289 176.300 0.089 0.000 1.084 158 R CA -0.681 55.480 56.100 0.102 0.000 1.163 158 R CB 0.361 30.738 30.300 0.128 0.000 1.100 158 R HN 0.498 nan 8.270 nan 0.000 0.547 159 L N 2.013 123.294 121.223 0.096 0.000 2.309 159 L HA 0.442 4.781 4.340 -0.001 0.000 0.282 159 L C -0.446 176.507 176.870 0.137 0.000 1.036 159 L CA -0.454 54.445 54.840 0.098 0.000 0.806 159 L CB 1.325 43.430 42.059 0.076 0.000 1.220 159 L HN 0.460 nan 8.230 nan 0.000 0.429 160 I N 3.224 123.889 120.570 0.158 0.000 2.436 160 I HA 0.601 4.770 4.170 -0.001 0.000 0.289 160 I C -1.106 175.183 176.117 0.287 0.000 1.010 160 I CA -0.320 61.104 61.300 0.207 0.000 1.098 160 I CB 1.760 39.861 38.000 0.168 0.000 1.266 160 I HN 0.212 nan 8.210 nan 0.000 0.434 161 V N 8.906 128.990 119.914 0.284 0.000 2.407 161 V HA 0.585 4.704 4.120 -0.001 0.000 0.291 161 V C -0.788 175.481 176.094 0.291 0.000 1.018 161 V CA -0.500 61.932 62.300 0.221 0.000 0.842 161 V CB 1.045 32.968 31.823 0.167 0.000 0.996 161 V HN 0.579 nan 8.190 nan 0.000 0.426 162 F N 5.101 125.094 119.950 0.072 0.000 2.601 162 F HA 0.957 5.484 4.527 -0.001 0.000 0.309 162 F C -3.053 172.786 175.800 0.065 0.000 1.089 162 F CA -2.850 55.194 58.000 0.073 0.000 0.940 162 F CB 1.733 40.770 39.000 0.062 0.000 1.273 162 F HN 0.300 nan 8.300 nan 0.000 0.450 163 P HA 0.185 nan 4.420 nan 0.000 0.279 163 P C -0.988 176.380 177.300 0.112 0.000 1.276 163 P CA -0.171 62.947 63.100 0.029 0.000 0.801 163 P CB 1.238 32.987 31.700 0.083 0.000 1.127 164 D N -0.723 119.740 120.400 0.104 0.000 2.390 164 D HA -0.080 4.559 4.640 -0.001 0.000 0.236 164 D C 1.366 177.792 176.300 0.210 0.000 1.189 164 D CA -0.228 53.872 54.000 0.167 0.000 0.887 164 D CB 0.268 41.222 40.800 0.257 0.000 1.198 164 D HN 0.119 nan 8.370 nan 0.000 0.444 165 L N 3.303 124.631 121.223 0.175 0.000 2.043 165 L HA -0.037 4.303 4.340 -0.001 0.000 0.212 165 L C 2.013 179.019 176.870 0.227 0.000 1.075 165 L CA 2.644 57.576 54.840 0.154 0.000 0.752 165 L CB -1.160 40.924 42.059 0.041 0.000 0.891 165 L HN 0.647 nan 8.230 nan 0.000 0.432 166 G N -1.110 107.894 108.800 0.341 0.000 2.446 166 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.217 166 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.217 166 G C 1.566 176.586 174.900 0.200 0.000 1.168 166 G CA 1.133 46.462 45.100 0.380 0.000 0.771 166 G HN 0.352 nan 8.290 nan 0.000 0.551 167 V N 0.752 120.777 119.914 0.185 0.000 2.332 167 V HA -0.203 3.917 4.120 -0.001 0.000 0.248 167 V C 2.967 179.145 176.094 0.140 0.000 1.055 167 V CA 2.067 64.445 62.300 0.129 0.000 1.038 167 V CB -0.463 31.426 31.823 0.111 0.000 0.651 167 V HN 0.339 nan 8.190 nan 0.000 0.450 168 R N -0.517 120.077 120.500 0.156 0.000 2.081 168 R HA -0.126 4.214 4.340 -0.001 0.000 0.235 168 R C 2.225 178.594 176.300 0.115 0.000 1.131 168 R CA 1.500 57.687 56.100 0.146 0.000 0.960 168 R CB -0.579 29.807 30.300 0.143 0.000 0.856 168 R HN 0.427 nan 8.270 nan 0.000 0.436 169 V N 0.367 120.342 119.914 0.102 0.000 2.407 169 V HA -0.295 3.825 4.120 -0.001 0.000 0.248 169 V C 2.464 178.589 176.094 0.051 0.000 1.055 169 V CA 1.529 63.858 62.300 0.048 0.000 1.049 169 V CB -0.446 31.399 31.823 0.036 0.000 0.662 169 V HN 0.459 nan 8.190 nan 0.000 0.455 170 C N -0.144 119.226 119.300 0.117 0.000 2.425 170 C HA -0.133 4.326 4.460 -0.001 0.000 0.277 170 C C 2.662 177.817 174.990 0.275 0.000 1.280 170 C CA 0.853 60.017 59.018 0.243 0.000 1.744 170 C CB -0.982 26.953 27.740 0.325 0.000 1.989 170 C HN 0.621 nan 8.230 nan 0.000 0.491 171 E N 0.827 121.146 120.200 0.199 0.000 2.077 171 E HA -0.212 4.137 4.350 -0.001 0.000 0.193 171 E C 2.155 178.872 176.600 0.194 0.000 0.989 171 E CA 1.145 57.673 56.400 0.212 0.000 0.800 171 E CB -0.135 29.700 29.700 0.225 0.000 0.746 171 E HN 0.636 nan 8.360 nan 0.000 0.452 172 K N 0.399 120.884 120.400 0.142 0.000 2.026 172 K HA -0.125 4.194 4.320 -0.001 0.000 0.208 172 K C 2.218 178.873 176.600 0.092 0.000 1.048 172 K CA 1.403 57.759 56.287 0.116 0.000 0.929 172 K CB -0.137 32.360 32.500 -0.005 0.000 0.713 172 K HN 0.103 nan 8.250 nan 0.000 0.439 173 M N 0.305 119.911 119.600 0.011 0.000 2.080 173 M HA -0.205 4.275 4.480 -0.001 0.000 0.260 173 M C 2.434 178.760 176.300 0.043 0.000 1.068 173 M CA 1.880 57.123 55.300 -0.095 0.000 1.109 173 M CB -0.353 31.996 32.600 -0.418 0.000 1.342 173 M HN 0.260 nan 8.290 nan 0.000 0.405 174 A N -0.725 122.235 122.820 0.233 0.000 1.970 174 A HA 0.021 4.340 4.320 -0.001 0.000 0.216 174 A C 1.841 179.520 177.584 0.159 0.000 1.170 174 A CA 1.192 53.412 52.037 0.306 0.000 0.645 174 A CB -0.215 19.031 19.000 0.411 0.000 0.816 174 A HN 0.502 nan 8.150 nan 0.000 0.447 175 L N -3.190 118.115 121.223 0.136 0.000 3.039 175 L HA 0.191 4.530 4.340 -0.001 0.000 0.269 175 L C 1.826 178.732 176.870 0.061 0.000 1.169 175 L CA -0.001 54.864 54.840 0.041 0.000 0.986 175 L CB 0.071 42.122 42.059 -0.014 0.000 1.377 175 L HN 0.434 nan 8.230 nan 0.000 0.575 176 Y N 1.516 121.833 120.300 0.028 0.000 2.114 176 Y HA -0.366 4.184 4.550 -0.001 0.000 0.282 176 Y C 2.195 178.128 175.900 0.055 0.000 1.165 176 Y CA 2.360 60.495 58.100 0.057 0.000 1.148 176 Y CB 0.044 38.530 38.460 0.043 0.000 0.972 176 Y HN 0.252 nan 8.280 nan 0.000 0.504 177 D N -0.889 119.541 120.400 0.049 0.000 2.117 177 D HA -0.161 4.479 4.640 -0.001 0.000 0.198 177 D C 2.211 178.449 176.300 -0.103 0.000 0.982 177 D CA 1.451 55.428 54.000 -0.039 0.000 0.828 177 D CB -0.218 40.606 40.800 0.041 0.000 0.967 177 D HN 0.251 nan 8.370 nan 0.000 0.464 178 V N 0.482 120.342 119.914 -0.089 0.000 2.261 178 V HA -0.224 3.895 4.120 -0.001 0.000 0.246 178 V C 2.692 178.681 176.094 -0.175 0.000 1.047 178 V CA 1.816 64.042 62.300 -0.123 0.000 1.015 178 V CB -0.685 31.040 31.823 -0.164 0.000 0.642 178 V HN 0.345 nan 8.190 nan 0.000 0.446 179 V N -2.393 117.396 119.914 -0.208 0.000 2.913 179 V HA -0.103 4.017 4.120 -0.001 0.000 0.260 179 V C 1.999 177.937 176.094 -0.259 0.000 1.098 179 V CA 2.124 64.293 62.300 -0.218 0.000 1.121 179 V CB -0.443 31.271 31.823 -0.181 0.000 0.714 179 V HN 0.462 nan 8.190 nan 0.000 0.487 180 S N 0.148 115.685 115.700 -0.272 0.000 2.478 180 S HA 0.025 4.494 4.470 -0.001 0.000 0.222 180 S C 1.840 176.342 174.600 -0.164 0.000 1.008 180 S CA 1.272 59.328 58.200 -0.239 0.000 0.928 180 S CB 0.103 63.107 63.200 -0.327 0.000 0.781 180 S HN 0.773 nan 8.310 nan 0.000 0.518 181 T N 1.627 116.083 114.554 -0.165 0.000 3.038 181 T HA 0.284 4.633 4.350 -0.001 0.000 0.244 181 T C 1.667 176.265 174.700 -0.170 0.000 1.016 181 T CA -0.097 61.923 62.100 -0.133 0.000 1.098 181 T CB -0.135 68.679 68.868 -0.090 0.000 0.954 181 T HN 0.173 nan 8.240 nan 0.000 0.469 182 L N 1.907 123.024 121.223 -0.176 0.000 2.056 182 L HA 0.009 4.348 4.340 -0.001 0.000 0.207 182 L C -0.987 175.711 176.870 -0.286 0.000 1.078 182 L CA 1.377 56.114 54.840 -0.172 0.000 0.749 182 L CB -0.831 41.178 42.059 -0.083 0.000 0.901 182 L HN 0.134 nan 8.230 nan 0.000 0.433 183 P HA -0.232 nan 4.420 nan 0.000 0.215 183 P C 1.353 178.191 177.300 -0.772 0.000 1.153 183 P CA 1.252 63.894 63.100 -0.763 0.000 0.853 183 P CB -0.170 30.733 31.700 -1.329 0.000 0.788 184 Q N 0.085 119.489 119.800 -0.660 0.000 2.167 184 Q HA -0.102 4.238 4.340 -0.001 0.000 0.202 184 Q C 1.930 177.801 176.000 -0.216 0.000 0.970 184 Q CA 1.484 57.101 55.803 -0.309 0.000 0.855 184 Q CB -0.719 27.943 28.738 -0.127 0.000 0.911 184 Q HN 0.088 nan 8.270 nan 0.000 0.438 185 V N 0.020 119.810 119.914 -0.206 0.000 2.323 185 V HA -0.194 3.925 4.120 -0.001 0.000 0.244 185 V C 2.545 178.547 176.094 -0.154 0.000 1.041 185 V CA 1.407 63.622 62.300 -0.142 0.000 1.025 185 V CB -0.530 31.226 31.823 -0.111 0.000 0.656 185 V HN 0.120 nan 8.190 nan 0.000 0.451 186 V N -0.569 119.221 119.914 -0.207 0.000 2.427 186 V HA -0.215 3.904 4.120 -0.001 0.000 0.248 186 V C 2.075 177.987 176.094 -0.304 0.000 1.051 186 V CA 2.151 64.320 62.300 -0.218 0.000 1.048 186 V CB -0.443 31.238 31.823 -0.236 0.000 0.666 186 V HN 0.484 nan 8.190 nan 0.000 0.456 187 M N -1.289 118.071 119.600 -0.401 0.000 2.382 187 M HA 0.352 4.831 4.480 -0.001 0.000 0.247 187 M C 1.382 177.564 176.300 -0.196 0.000 1.104 187 M CA 0.694 55.688 55.300 -0.509 0.000 1.030 187 M CB 0.420 32.613 32.600 -0.678 0.000 1.424 187 M HN 0.458 nan 8.290 nan 0.000 0.486 188 G N 1.611 110.328 108.800 -0.138 0.000 2.582 188 G HA2 -0.382 3.578 3.960 -0.001 0.000 0.288 188 G HA3 -0.382 3.578 3.960 -0.001 0.000 0.288 188 G C 0.770 175.624 174.900 -0.076 0.000 1.247 188 G CA 0.697 45.757 45.100 -0.067 0.000 0.972 188 G HN 0.531 nan 8.290 nan 0.000 0.557 189 S N -0.808 114.861 115.700 -0.052 0.000 2.493 189 S HA 0.005 4.474 4.470 -0.001 0.000 0.243 189 S C 2.187 176.593 174.600 -0.323 0.000 0.991 189 S CA 2.051 60.149 58.200 -0.171 0.000 0.957 189 S CB -0.169 62.988 63.200 -0.073 0.000 0.756 189 S HN 1.067 nan 8.310 nan 0.000 0.521 190 S N 0.177 115.833 115.700 -0.073 0.000 2.489 190 S HA 0.113 4.583 4.470 -0.001 0.000 0.228 190 S C 0.268 174.855 174.600 -0.021 0.000 0.995 190 S CA -0.118 58.100 58.200 0.030 0.000 0.934 190 S CB -0.420 62.935 63.200 0.258 0.000 0.771 190 S HN 0.701 nan 8.310 nan 0.000 0.522 191 Y N 3.118 123.263 120.300 -0.257 0.000 2.637 191 Y HA 0.408 4.957 4.550 -0.001 0.000 0.350 191 Y C 1.279 176.940 175.900 -0.399 0.000 1.069 191 Y CA -1.327 56.591 58.100 -0.304 0.000 1.397 191 Y CB -0.056 38.226 38.460 -0.296 0.000 1.163 191 Y HN 0.062 nan 8.280 nan 0.000 0.527 192 G N 4.570 112.924 108.800 -0.743 0.000 2.443 192 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.219 192 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.219 192 G C 1.072 175.456 174.900 -0.860 0.000 1.131 192 G CA 0.209 44.897 45.100 -0.686 0.000 0.775 192 G HN 0.638 nan 8.290 nan 0.000 0.547 193 F N 1.395 120.618 119.950 -1.211 0.000 2.699 193 F HA 0.027 4.553 4.527 -0.001 0.000 0.298 193 F C 2.805 178.338 175.800 -0.444 0.000 1.154 193 F CA 0.785 58.177 58.000 -1.013 0.000 1.457 193 F CB -0.160 38.222 39.000 -1.030 0.000 1.106 193 F HN 0.395 nan 8.300 nan 0.000 0.585 194 Q N -0.896 118.633 119.800 -0.452 0.000 2.451 194 Q HA -0.066 4.274 4.340 -0.001 0.000 0.206 194 Q C -0.634 175.263 176.000 -0.172 0.000 0.947 194 Q CA 0.667 56.332 55.803 -0.230 0.000 0.937 194 Q CB -0.270 28.247 28.738 -0.368 0.000 1.025 194 Q HN 0.267 nan 8.270 nan 0.000 0.511 195 Y N 1.752 122.104 120.300 0.086 0.000 2.360 195 Y HA 0.331 4.880 4.550 -0.001 0.000 0.337 195 Y C 0.541 176.408 175.900 -0.055 0.000 1.039 195 Y CA -1.544 56.567 58.100 0.019 0.000 1.109 195 Y CB 1.540 39.963 38.460 -0.063 0.000 1.201 195 Y HN 0.098 nan 8.280 nan 0.000 0.458 196 S N 2.498 118.050 115.700 -0.248 0.000 2.624 196 S HA 0.279 4.748 4.470 -0.001 0.000 0.263 196 S C -2.022 172.298 174.600 -0.466 0.000 1.287 196 S CA -1.112 56.432 58.200 -1.093 0.000 0.990 196 S CB 1.296 63.902 63.200 -0.989 0.000 0.950 196 S HN 0.408 nan 8.310 nan 0.000 0.561 197 P HA -0.028 nan 4.420 nan 0.000 0.216 197 P C 1.676 178.923 177.300 -0.087 0.000 1.153 197 P CA 1.762 64.769 63.100 -0.155 0.000 0.858 197 P CB -0.496 31.157 31.700 -0.079 0.000 0.789 198 G N -0.426 108.297 108.800 -0.129 0.000 2.408 198 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.217 198 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.217 198 G C 1.475 176.325 174.900 -0.083 0.000 1.150 198 G CA 0.512 45.577 45.100 -0.059 0.000 0.776 198 G HN 0.318 nan 8.290 nan 0.000 0.542 199 Q N -0.509 119.223 119.800 -0.114 0.000 2.230 199 Q HA 0.070 4.410 4.340 -0.001 0.000 0.202 199 Q C 2.540 178.356 176.000 -0.306 0.000 0.963 199 Q CA 0.566 56.295 55.803 -0.123 0.000 0.866 199 Q CB -0.068 28.690 28.738 0.033 0.000 0.931 199 Q HN 0.422 nan 8.270 nan 0.000 0.452 200 R N 0.434 120.807 120.500 -0.211 0.000 2.070 200 R HA -0.132 4.207 4.340 -0.001 0.000 0.233 200 R C 2.113 178.319 176.300 -0.157 0.000 1.137 200 R CA 1.282 57.250 56.100 -0.220 0.000 0.945 200 R CB -0.181 30.106 30.300 -0.023 0.000 0.845 200 R HN 0.102 nan 8.270 nan 0.000 0.430 201 V N 1.382 121.233 119.914 -0.106 0.000 2.287 201 V HA -0.278 3.841 4.120 -0.001 0.000 0.248 201 V C 2.350 178.359 176.094 -0.142 0.000 1.053 201 V CA 2.336 64.573 62.300 -0.105 0.000 1.027 201 V CB -0.624 31.177 31.823 -0.037 0.000 0.646 201 V HN 0.510 nan 8.190 nan 0.000 0.447 202 E N -0.528 119.602 120.200 -0.117 0.000 2.118 202 E HA -0.276 4.073 4.350 -0.001 0.000 0.195 202 E C 2.071 178.604 176.600 -0.113 0.000 0.992 202 E CA 1.674 58.012 56.400 -0.103 0.000 0.804 202 E CB -0.212 29.447 29.700 -0.068 0.000 0.741 202 E HN 0.568 nan 8.360 nan 0.000 0.458 203 F N 0.943 120.692 119.950 -0.336 0.000 2.163 203 F HA -0.054 4.473 4.527 -0.001 0.000 0.297 203 F C 1.783 177.458 175.800 -0.208 0.000 1.094 203 F CA 1.104 58.909 58.000 -0.325 0.000 1.290 203 F CB -0.165 38.482 39.000 -0.589 0.000 1.017 203 F HN 0.001 nan 8.300 nan 0.000 0.483 204 L N -0.770 120.296 121.223 -0.263 0.000 2.017 204 L HA -0.209 4.131 4.340 -0.001 0.000 0.208 204 L C 2.387 179.084 176.870 -0.288 0.000 1.073 204 L CA 1.079 55.735 54.840 -0.307 0.000 0.745 204 L CB -0.865 41.067 42.059 -0.213 0.000 0.894 204 L HN -0.019 nan 8.230 nan 0.000 0.432 205 V N 0.057 119.791 119.914 -0.300 0.000 2.343 205 V HA -0.250 3.870 4.120 -0.001 0.000 0.247 205 V C 2.181 178.165 176.094 -0.183 0.000 1.051 205 V CA 1.779 63.886 62.300 -0.322 0.000 1.036 205 V CB -0.660 30.864 31.823 -0.499 0.000 0.654 205 V HN 0.478 nan 8.190 nan 0.000 0.451 206 N N -0.008 118.577 118.700 -0.192 0.000 2.188 206 N HA -0.118 4.622 4.740 -0.001 0.000 0.184 206 N C 1.907 177.308 175.510 -0.181 0.000 1.018 206 N CA 1.796 54.758 53.050 -0.146 0.000 0.858 206 N CB -0.592 37.830 38.487 -0.109 0.000 0.989 206 N HN 0.436 nan 8.380 nan 0.000 0.426 207 T N 0.344 114.701 114.554 -0.329 0.000 2.821 207 T HA -0.124 4.226 4.350 -0.001 0.000 0.267 207 T C 1.473 176.087 174.700 -0.145 0.000 1.046 207 T CA 0.566 62.461 62.100 -0.343 0.000 1.139 207 T CB -0.133 68.360 68.868 -0.625 0.000 0.871 207 T HN 0.426 nan 8.240 nan 0.000 0.454 208 W N 2.187 123.316 121.300 -0.286 0.000 2.381 208 W HA -0.042 4.618 4.660 -0.001 0.000 0.301 208 W C 1.744 178.171 176.519 -0.153 0.000 1.205 208 W CA 1.014 58.235 57.345 -0.206 0.000 1.285 208 W CB -0.131 29.200 29.460 -0.215 0.000 1.133 208 W HN 0.229 nan 8.180 nan 0.000 0.521 209 K N 0.341 120.761 120.400 0.033 0.000 2.365 209 K HA -0.120 4.200 4.320 -0.001 0.000 0.199 209 K C 2.095 178.642 176.600 -0.088 0.000 1.045 209 K CA 1.478 57.749 56.287 -0.026 0.000 0.962 209 K CB -0.201 32.297 32.500 -0.004 0.000 0.759 209 K HN 0.046 nan 8.250 nan 0.000 0.469 210 S N 0.464 116.098 115.700 -0.110 0.000 2.522 210 S HA 0.011 4.480 4.470 -0.001 0.000 0.227 210 S C 0.498 175.020 174.600 -0.131 0.000 0.986 210 S CA 0.230 58.367 58.200 -0.105 0.000 0.929 210 S CB 0.075 63.216 63.200 -0.098 0.000 0.769 210 S HN -0.042 nan 8.310 nan 0.000 0.529 211 K N 1.869 122.148 120.400 -0.201 0.000 2.143 211 K HA 0.382 4.702 4.320 -0.001 0.000 0.272 211 K C 0.550 177.030 176.600 -0.201 0.000 1.001 211 K CA -0.446 55.709 56.287 -0.220 0.000 0.915 211 K CB 1.171 33.475 32.500 -0.327 0.000 1.047 211 K HN 0.141 nan 8.250 nan 0.000 0.458 212 K N 1.088 121.402 120.400 -0.144 0.000 2.002 212 K HA -0.078 4.241 4.320 -0.001 0.000 0.209 212 K C 0.198 176.719 176.600 -0.132 0.000 1.048 212 K CA 1.199 57.420 56.287 -0.111 0.000 0.930 212 K CB 0.115 32.569 32.500 -0.078 0.000 0.714 212 K HN 0.433 nan 8.250 nan 0.000 0.438 213 N N 1.112 119.721 118.700 -0.153 0.000 2.762 213 N HA 0.197 4.936 4.740 -0.001 0.000 0.252 213 N C -2.802 172.564 175.510 -0.240 0.000 1.269 213 N CA -1.159 51.801 53.050 -0.150 0.000 0.799 213 N CB 1.569 40.009 38.487 -0.078 0.000 1.173 213 N HN 0.065 nan 8.380 nan 0.000 0.516 214 P HA 0.083 nan 4.420 nan 0.000 0.269 214 P C -0.249 176.676 177.300 -0.625 0.000 1.215 214 P CA -0.147 62.434 63.100 -0.865 0.000 0.780 214 P CB 1.167 31.668 31.700 -1.999 0.000 0.898 215 M N 1.737 121.025 119.600 -0.520 0.000 2.365 215 M HA 0.605 5.084 4.480 -0.001 0.000 0.287 215 M C -1.568 174.699 176.300 -0.055 0.000 1.154 215 M CA -0.224 54.935 55.300 -0.235 0.000 0.941 215 M CB 2.134 34.663 32.600 -0.119 0.000 1.704 215 M HN 0.615 nan 8.290 nan 0.000 0.479 216 G N 3.615 112.490 108.800 0.125 0.000 2.690 216 G HA2 0.848 4.808 3.960 -0.001 0.000 0.291 216 G HA3 0.848 4.808 3.960 -0.001 0.000 0.291 216 G C -2.070 172.911 174.900 0.135 0.000 1.403 216 G CA -0.631 44.545 45.100 0.127 0.000 0.864 216 G HN 0.847 nan 8.290 nan 0.000 0.480 217 F N -0.539 119.372 119.950 -0.066 0.000 2.654 217 F HA 0.809 5.335 4.527 -0.001 0.000 0.308 217 F C -0.134 175.650 175.800 -0.027 0.000 1.108 217 F CA -1.533 56.428 58.000 -0.064 0.000 0.957 217 F CB 1.446 40.398 39.000 -0.081 0.000 1.309 217 F HN 0.623 nan 8.300 nan 0.000 0.446 218 S N 0.956 116.734 115.700 0.130 0.000 2.578 218 S HA 0.605 5.075 4.470 -0.001 0.000 0.283 218 S C -1.515 173.257 174.600 0.286 0.000 1.195 218 S CA -0.558 57.690 58.200 0.080 0.000 1.050 218 S CB 1.508 64.736 63.200 0.047 0.000 1.012 218 S HN 0.847 nan 8.310 nan 0.000 0.511 219 Y N 1.653 122.059 120.300 0.177 0.000 2.388 219 Y HA 0.414 4.963 4.550 -0.001 0.000 0.328 219 Y C -0.802 175.222 175.900 0.206 0.000 0.963 219 Y CA -0.918 57.357 58.100 0.291 0.000 1.240 219 Y CB 1.041 39.771 38.460 0.450 0.000 1.118 219 Y HN 0.874 nan 8.280 nan 0.000 0.484 220 D N 4.290 124.542 120.400 -0.246 0.000 2.313 220 D HA 0.208 4.848 4.640 -0.001 0.000 0.239 220 D C -0.647 175.536 176.300 -0.195 0.000 1.142 220 D CA 0.020 53.945 54.000 -0.126 0.000 0.847 220 D CB 1.012 41.766 40.800 -0.076 0.000 1.082 220 D HN 0.465 nan 8.370 nan 0.000 0.480 221 T N 4.171 118.789 114.554 0.106 0.000 2.856 221 T HA 0.171 4.520 4.350 -0.001 0.000 0.292 221 T C 0.330 175.138 174.700 0.181 0.000 0.980 221 T CA -0.622 61.623 62.100 0.241 0.000 1.091 221 T CB 0.884 70.101 68.868 0.581 0.000 0.936 221 T HN 0.283 nan 8.240 nan 0.000 0.503 222 R N 2.170 122.738 120.500 0.114 0.000 2.288 222 R HA 0.138 4.477 4.340 -0.001 0.000 0.330 222 R C -0.354 176.055 176.300 0.182 0.000 1.069 222 R CA -0.128 56.027 56.100 0.092 0.000 0.941 222 R CB -0.741 29.556 30.300 -0.004 0.000 0.998 222 R HN 0.979 nan 8.270 nan 0.000 0.452 223 C N 5.677 125.115 119.300 0.229 0.000 3.514 223 C HA -0.171 4.288 4.460 -0.001 0.000 0.286 223 C C 1.437 176.643 174.990 0.361 0.000 1.302 223 C CA 0.177 59.380 59.018 0.308 0.000 2.239 223 C CB -2.982 24.996 27.740 0.396 0.000 1.429 223 C HN 1.002 nan 8.230 nan 0.000 0.565 224 F N 1.963 122.033 119.950 0.199 0.000 2.087 224 F HA -0.206 4.321 4.527 -0.001 0.000 0.299 224 F C 1.946 177.856 175.800 0.185 0.000 1.100 224 F CA 2.476 60.593 58.000 0.194 0.000 1.226 224 F CB -0.007 39.096 39.000 0.172 0.000 0.983 224 F HN 0.480 nan 8.300 nan 0.000 0.479 225 D N -0.425 120.234 120.400 0.432 0.000 2.133 225 D HA -0.176 4.464 4.640 -0.001 0.000 0.195 225 D C 2.467 178.833 176.300 0.110 0.000 0.997 225 D CA 1.694 55.863 54.000 0.283 0.000 0.840 225 D CB -0.607 40.355 40.800 0.269 0.000 0.947 225 D HN 0.255 nan 8.370 nan 0.000 0.452 226 S N -0.493 115.293 115.700 0.144 0.000 2.423 226 S HA -0.108 4.361 4.470 -0.001 0.000 0.231 226 S C 2.034 176.628 174.600 -0.010 0.000 1.014 226 S CA 1.444 59.639 58.200 -0.009 0.000 0.965 226 S CB -0.221 62.990 63.200 0.019 0.000 0.785 226 S HN 0.544 nan 8.310 nan 0.000 0.495 227 T N -0.582 114.038 114.554 0.109 0.000 3.067 227 T HA 0.133 4.482 4.350 -0.001 0.000 0.261 227 T C 0.601 175.233 174.700 -0.114 0.000 1.110 227 T CA 0.025 62.169 62.100 0.074 0.000 1.113 227 T CB -0.379 68.481 68.868 -0.014 0.000 0.917 227 T HN 0.027 nan 8.240 nan 0.000 0.499 228 V N 4.156 123.956 119.914 -0.190 0.000 2.446 228 V HA 0.287 4.406 4.120 -0.001 0.000 0.276 228 V C 1.181 177.219 176.094 -0.093 0.000 1.030 228 V CA -0.153 62.052 62.300 -0.159 0.000 1.033 228 V CB -0.104 31.666 31.823 -0.089 0.000 0.993 228 V HN 0.726 nan 8.190 nan 0.000 0.477 229 T N 0.927 115.441 114.554 -0.067 0.000 2.862 229 T HA 0.298 4.647 4.350 -0.001 0.000 0.276 229 T C 1.077 175.757 174.700 -0.033 0.000 0.974 229 T CA -0.243 61.825 62.100 -0.053 0.000 0.966 229 T CB 1.444 70.287 68.868 -0.041 0.000 1.072 229 T HN 0.685 nan 8.240 nan 0.000 0.538 230 E N 0.489 120.671 120.200 -0.030 0.000 2.085 230 E HA -0.281 4.068 4.350 -0.001 0.000 0.194 230 E C 1.955 178.555 176.600 0.000 0.000 0.994 230 E CA 1.691 58.085 56.400 -0.009 0.000 0.801 230 E CB -0.260 29.436 29.700 -0.007 0.000 0.743 230 E HN 0.771 nan 8.360 nan 0.000 0.453 231 N N 0.676 119.371 118.700 -0.008 0.000 2.036 231 N HA -0.214 4.526 4.740 -0.001 0.000 0.195 231 N C 1.490 177.011 175.510 0.018 0.000 1.037 231 N CA 2.203 55.252 53.050 -0.001 0.000 0.855 231 N CB -0.175 38.299 38.487 -0.022 0.000 1.033 231 N HN 0.134 nan 8.380 nan 0.000 0.423 232 D N 0.048 120.457 120.400 0.016 0.000 2.133 232 D HA -0.150 4.489 4.640 -0.001 0.000 0.195 232 D C 1.930 178.241 176.300 0.018 0.000 0.997 232 D CA 1.107 55.129 54.000 0.036 0.000 0.840 232 D CB -0.289 40.523 40.800 0.020 0.000 0.947 232 D HN 0.479 nan 8.370 nan 0.000 0.452 233 I N 0.293 120.873 120.570 0.017 0.000 2.439 233 I HA -0.146 4.024 4.170 -0.001 0.000 0.251 233 I C 2.386 178.515 176.117 0.020 0.000 1.139 233 I CA 0.707 62.023 61.300 0.027 0.000 1.438 233 I CB -0.008 38.027 38.000 0.059 0.000 1.085 233 I HN -0.097 nan 8.210 nan 0.000 0.427 234 R N -0.070 120.441 120.500 0.017 0.000 2.119 234 R HA -0.036 4.303 4.340 -0.001 0.000 0.222 234 R C 2.308 178.593 176.300 -0.024 0.000 1.088 234 R CA 0.801 56.907 56.100 0.011 0.000 0.984 234 R CB -0.254 30.055 30.300 0.015 0.000 0.884 234 R HN 0.179 nan 8.270 nan 0.000 0.447 235 V N 1.515 121.416 119.914 -0.021 0.000 2.343 235 V HA -0.229 3.891 4.120 -0.001 0.000 0.247 235 V C 1.921 177.929 176.094 -0.143 0.000 1.051 235 V CA 1.792 64.066 62.300 -0.043 0.000 1.036 235 V CB -0.355 31.481 31.823 0.022 0.000 0.654 235 V HN 0.332 nan 8.190 nan 0.000 0.451 236 E N -0.348 119.740 120.200 -0.186 0.000 2.085 236 E HA -0.270 4.080 4.350 -0.001 0.000 0.194 236 E C 2.328 178.479 176.600 -0.748 0.000 0.994 236 E CA 1.406 57.549 56.400 -0.429 0.000 0.801 236 E CB -0.157 29.342 29.700 -0.335 0.000 0.743 236 E HN 0.597 nan 8.360 nan 0.000 0.453 237 E N 0.530 120.508 120.200 -0.370 0.000 2.153 237 E HA -0.173 4.177 4.350 -0.001 0.000 0.194 237 E C 2.083 178.611 176.600 -0.119 0.000 0.988 237 E CA 1.366 57.664 56.400 -0.170 0.000 0.811 237 E CB 0.059 29.798 29.700 0.064 0.000 0.746 237 E HN 0.227 nan 8.360 nan 0.000 0.466 238 S N 0.061 115.689 115.700 -0.120 0.000 2.423 238 S HA -0.090 4.380 4.470 -0.001 0.000 0.231 238 S C 2.012 176.560 174.600 -0.087 0.000 1.014 238 S CA 0.619 58.779 58.200 -0.067 0.000 0.965 238 S CB -0.386 62.785 63.200 -0.049 0.000 0.785 238 S HN 0.259 nan 8.310 nan 0.000 0.495 239 I N -0.016 120.443 120.570 -0.185 0.000 2.333 239 I HA -0.078 4.092 4.170 -0.001 0.000 0.246 239 I C 2.193 178.281 176.117 -0.048 0.000 1.106 239 I CA 1.037 62.245 61.300 -0.153 0.000 1.411 239 I CB -0.433 37.432 38.000 -0.225 0.000 1.082 239 I HN 0.200 nan 8.210 nan 0.000 0.420 240 Y N 1.007 121.299 120.300 -0.013 0.000 2.165 240 Y HA -0.220 4.329 4.550 -0.001 0.000 0.286 240 Y C 2.606 178.508 175.900 0.002 0.000 1.155 240 Y CA 0.669 58.766 58.100 -0.006 0.000 1.164 240 Y CB -1.030 37.441 38.460 0.018 0.000 0.978 240 Y HN 0.216 nan 8.280 nan 0.000 0.513 241 Q N -1.151 118.739 119.800 0.151 0.000 2.437 241 Q HA -0.111 4.228 4.340 -0.001 0.000 0.210 241 Q C 2.224 178.256 176.000 0.053 0.000 0.972 241 Q CA 0.811 56.669 55.803 0.091 0.000 0.903 241 Q CB -0.791 27.985 28.738 0.062 0.000 0.967 241 Q HN 0.520 nan 8.270 nan 0.000 0.486 242 C N -0.140 119.184 119.300 0.039 0.000 2.468 242 C HA 0.020 4.479 4.460 -0.001 0.000 0.277 242 C C 1.524 176.528 174.990 0.023 0.000 1.400 242 C CA -0.826 58.203 59.018 0.019 0.000 1.770 242 C CB -0.643 27.096 27.740 -0.001 0.000 1.905 242 C HN 0.387 nan 8.230 nan 0.000 0.519 243 C N 2.026 121.350 119.300 0.040 0.000 2.727 243 C HA 0.147 4.606 4.460 -0.001 0.000 0.401 243 C C 0.545 175.552 174.990 0.029 0.000 1.294 243 C CA -0.104 58.933 59.018 0.031 0.000 2.134 243 C CB -0.230 27.535 27.740 0.041 0.000 2.724 243 C HN 0.524 nan 8.230 nan 0.000 0.677 244 D N 1.871 122.284 120.400 0.020 0.000 2.365 244 D HA 0.486 5.125 4.640 -0.001 0.000 0.237 244 D C -0.614 175.702 176.300 0.027 0.000 1.190 244 D CA 0.262 54.274 54.000 0.020 0.000 0.867 244 D CB -0.052 40.756 40.800 0.014 0.000 1.050 244 D HN 0.408 nan 8.370 nan 0.000 0.491 245 L N 1.955 123.199 121.223 0.034 0.000 2.333 245 L HA 0.713 5.053 4.340 -0.001 0.000 0.263 245 L C 0.355 177.253 176.870 0.047 0.000 1.014 245 L CA -1.627 53.239 54.840 0.044 0.000 0.820 245 L CB 1.779 43.871 42.059 0.054 0.000 1.352 245 L HN 0.346 nan 8.230 nan 0.000 0.421 246 A N 1.345 124.200 122.820 0.058 0.000 2.445 246 A HA 0.382 4.701 4.320 -0.001 0.000 0.242 246 A C -1.851 175.775 177.584 0.070 0.000 1.075 246 A CA -0.917 51.157 52.037 0.062 0.000 0.777 246 A CB -0.044 19.002 19.000 0.076 0.000 1.013 246 A HN 0.622 nan 8.150 nan 0.000 0.493 247 P HA -0.177 nan 4.420 nan 0.000 0.216 247 P C 1.246 178.582 177.300 0.059 0.000 1.150 247 P CA 1.605 64.735 63.100 0.049 0.000 0.843 247 P CB 0.234 31.957 31.700 0.039 0.000 0.787 248 E N -0.730 119.531 120.200 0.101 0.000 2.077 248 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 248 E C 2.005 178.696 176.600 0.153 0.000 0.989 248 E CA 1.099 57.587 56.400 0.145 0.000 0.800 248 E CB -0.441 29.435 29.700 0.294 0.000 0.746 248 E HN 0.089 nan 8.360 nan 0.000 0.452 249 A N 1.042 123.975 122.820 0.189 0.000 1.930 249 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 249 A C 2.038 179.675 177.584 0.088 0.000 1.175 249 A CA 1.204 53.352 52.037 0.185 0.000 0.627 249 A CB -0.353 18.743 19.000 0.159 0.000 0.815 249 A HN 0.130 nan 8.150 nan 0.000 0.443 250 R N -1.104 119.433 120.500 0.062 0.000 2.081 250 R HA -0.176 4.163 4.340 -0.001 0.000 0.235 250 R C 2.478 178.781 176.300 0.005 0.000 1.131 250 R CA 1.669 57.794 56.100 0.042 0.000 0.960 250 R CB -0.266 30.055 30.300 0.035 0.000 0.856 250 R HN 0.631 nan 8.270 nan 0.000 0.436 251 Q N 0.750 120.532 119.800 -0.031 0.000 2.079 251 Q HA -0.053 4.286 4.340 -0.001 0.000 0.200 251 Q C 1.922 177.831 176.000 -0.152 0.000 0.974 251 Q CA 1.949 57.700 55.803 -0.085 0.000 0.840 251 Q CB -0.210 28.463 28.738 -0.108 0.000 0.898 251 Q HN 0.319 nan 8.270 nan 0.000 0.430 252 A N 0.062 122.748 122.820 -0.224 0.000 1.933 252 A HA -0.103 4.216 4.320 -0.001 0.000 0.218 252 A C 2.110 179.612 177.584 -0.136 0.000 1.175 252 A CA 1.361 53.197 52.037 -0.334 0.000 0.628 252 A CB -0.649 18.010 19.000 -0.568 0.000 0.814 252 A HN 0.482 nan 8.150 nan 0.000 0.444 253 I N -0.695 119.861 120.570 -0.024 0.000 2.286 253 I HA -0.224 3.945 4.170 -0.001 0.000 0.245 253 I C 2.522 178.677 176.117 0.064 0.000 1.104 253 I CA 1.685 63.024 61.300 0.066 0.000 1.397 253 I CB -0.213 37.859 38.000 0.119 0.000 1.072 253 I HN 0.388 nan 8.210 nan 0.000 0.417 254 K N 0.633 121.047 120.400 0.024 0.000 2.002 254 K HA -0.224 4.096 4.320 -0.001 0.000 0.209 254 K C 2.376 178.960 176.600 -0.028 0.000 1.048 254 K CA 1.966 58.262 56.287 0.016 0.000 0.930 254 K CB -0.164 32.333 32.500 -0.004 0.000 0.714 254 K HN 0.109 nan 8.250 nan 0.000 0.438 255 S N 0.724 116.376 115.700 -0.081 0.000 2.353 255 S HA -0.128 4.342 4.470 -0.001 0.000 0.222 255 S C 2.009 176.519 174.600 -0.151 0.000 1.035 255 S CA 1.341 59.471 58.200 -0.118 0.000 1.025 255 S CB -0.340 62.758 63.200 -0.169 0.000 0.902 255 S HN 0.380 nan 8.310 nan 0.000 0.440 256 L N 0.665 121.769 121.223 -0.200 0.000 2.079 256 L HA -0.118 4.221 4.340 -0.001 0.000 0.210 256 L C 2.755 179.343 176.870 -0.470 0.000 1.081 256 L CA 1.601 56.206 54.840 -0.391 0.000 0.752 256 L CB -0.893 40.907 42.059 -0.431 0.000 0.896 256 L HN 0.375 nan 8.230 nan 0.000 0.433 257 T N -1.131 113.347 114.554 -0.126 0.000 2.737 257 T HA -0.137 4.212 4.350 -0.001 0.000 0.265 257 T C 1.782 176.497 174.700 0.025 0.000 1.038 257 T CA 1.074 63.230 62.100 0.093 0.000 1.144 257 T CB -0.064 68.925 68.868 0.203 0.000 0.866 257 T HN 0.297 nan 8.240 nan 0.000 0.434 258 E N 1.207 121.400 120.200 -0.011 0.000 2.072 258 E HA -0.049 4.301 4.350 -0.001 0.000 0.191 258 E C 2.347 178.931 176.600 -0.027 0.000 0.985 258 E CA 0.987 57.381 56.400 -0.009 0.000 0.801 258 E CB -0.135 29.554 29.700 -0.019 0.000 0.750 258 E HN 0.461 nan 8.360 nan 0.000 0.452 259 R N -0.461 119.994 120.500 -0.074 0.000 2.223 259 R HA 0.105 4.444 4.340 -0.001 0.000 0.198 259 R C 1.909 178.154 176.300 -0.093 0.000 0.984 259 R CA 0.355 56.411 56.100 -0.073 0.000 1.018 259 R CB 0.268 30.514 30.300 -0.090 0.000 0.945 259 R HN 0.056 nan 8.270 nan 0.000 0.479 260 L N -2.370 118.757 121.223 -0.161 0.000 2.688 260 L HA 0.185 4.525 4.340 -0.001 0.000 0.216 260 L C 1.217 178.086 176.870 -0.002 0.000 1.036 260 L CA 0.540 55.292 54.840 -0.147 0.000 0.906 260 L CB -0.069 41.826 42.059 -0.273 0.000 1.501 260 L HN -0.151 nan 8.230 nan 0.000 0.489 261 Y N 0.503 120.819 120.300 0.027 0.000 2.200 261 Y HA -0.047 4.503 4.550 -0.001 0.000 0.290 261 Y C 2.508 178.415 175.900 0.011 0.000 1.137 261 Y CA 1.527 59.650 58.100 0.039 0.000 1.163 261 Y CB -0.832 37.676 38.460 0.079 0.000 0.988 261 Y HN 0.135 nan 8.280 nan 0.000 0.518 262 I N -1.115 119.550 120.570 0.158 0.000 2.394 262 I HA -0.013 4.156 4.170 -0.001 0.000 0.251 262 I C 1.202 177.322 176.117 0.005 0.000 1.136 262 I CA 1.229 62.573 61.300 0.073 0.000 1.425 262 I CB -0.305 37.730 38.000 0.058 0.000 1.079 262 I HN 0.267 nan 8.210 nan 0.000 0.425 263 G N -0.936 107.846 108.800 -0.030 0.000 2.349 263 G HA2 0.526 4.485 3.960 -0.001 0.000 0.294 263 G HA3 0.526 4.485 3.960 -0.001 0.000 0.294 263 G C -1.175 173.558 174.900 -0.279 0.000 1.380 263 G CA -0.019 44.980 45.100 -0.167 0.000 0.811 263 G HN 0.340 nan 8.290 nan 0.000 0.519 264 G N -0.654 107.706 108.800 -0.733 0.000 2.340 264 G HA2 0.674 4.633 3.960 -0.001 0.000 0.298 264 G HA3 0.674 4.633 3.960 -0.001 0.000 0.298 264 G C -3.466 170.939 174.900 -0.825 0.000 1.498 264 G CA -0.146 44.577 45.100 -0.627 0.000 0.847 264 G HN 0.672 nan 8.290 nan 0.000 0.594 265 P HA 0.435 nan 4.420 nan 0.000 0.272 265 P C -0.543 176.701 177.300 -0.093 0.000 1.223 265 P CA -0.179 62.872 63.100 -0.081 0.000 0.784 265 P CB 1.232 32.999 31.700 0.113 0.000 0.923 266 L N 2.124 123.328 121.223 -0.031 0.000 2.305 266 L HA 0.433 4.772 4.340 -0.001 0.000 0.284 266 L C 0.463 177.349 176.870 0.026 0.000 1.013 266 L CA -0.234 54.605 54.840 -0.002 0.000 0.819 266 L CB 1.586 43.676 42.059 0.053 0.000 1.227 266 L HN 0.262 nan 8.230 nan 0.000 0.417 267 T N 1.503 116.050 114.554 -0.013 0.000 2.829 267 T HA 0.345 4.695 4.350 -0.001 0.000 0.280 267 T C -0.138 174.553 174.700 -0.015 0.000 0.999 267 T CA -0.828 61.265 62.100 -0.011 0.000 0.983 267 T CB 1.424 70.267 68.868 -0.041 0.000 0.968 267 T HN 0.633 nan 8.240 nan 0.000 0.446 268 N N 0.688 119.393 118.700 0.009 0.000 2.364 268 N HA 0.125 4.864 4.740 -0.001 0.000 0.264 268 N C 1.407 176.915 175.510 -0.003 0.000 1.263 268 N CA -0.407 52.649 53.050 0.011 0.000 0.959 268 N CB 0.145 38.645 38.487 0.021 0.000 1.204 268 N HN 0.458 nan 8.380 nan 0.000 0.550 269 S N -1.089 114.618 115.700 0.011 0.000 2.469 269 S HA -0.114 4.356 4.470 -0.001 0.000 0.238 269 S C 0.917 175.517 174.600 -0.001 0.000 0.998 269 S CA 0.747 58.954 58.200 0.011 0.000 0.957 269 S CB -0.447 62.771 63.200 0.030 0.000 0.764 269 S HN 0.647 nan 8.310 nan 0.000 0.514 270 K N 0.593 120.993 120.400 -0.000 0.000 2.417 270 K HA 0.301 4.620 4.320 -0.001 0.000 0.196 270 K C 1.179 177.773 176.600 -0.010 0.000 1.023 270 K CA 0.329 56.614 56.287 -0.004 0.000 1.122 270 K CB 0.030 32.531 32.500 0.002 0.000 0.850 270 K HN 0.517 nan 8.250 nan 0.000 0.521 271 G N 1.712 110.503 108.800 -0.016 0.000 2.159 271 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.256 271 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.256 271 G C -0.196 174.701 174.900 -0.005 0.000 0.977 271 G CA -0.022 45.066 45.100 -0.020 0.000 0.652 271 G HN 0.367 nan 8.290 nan 0.000 0.531 272 Q N 0.082 119.886 119.800 0.006 0.000 2.259 272 Q HA 0.340 4.679 4.340 -0.001 0.000 0.246 272 Q C 0.413 176.432 176.000 0.033 0.000 0.920 272 Q CA -0.530 55.285 55.803 0.019 0.000 0.895 272 Q CB 0.946 29.699 28.738 0.024 0.000 1.220 272 Q HN 0.409 nan 8.270 nan 0.000 0.439 273 N N 1.371 120.097 118.700 0.043 0.000 2.452 273 N HA 0.002 4.742 4.740 -0.001 0.000 0.266 273 N C -0.226 175.341 175.510 0.095 0.000 1.175 273 N CA -0.390 52.698 53.050 0.063 0.000 0.945 273 N CB 0.534 39.059 38.487 0.063 0.000 1.063 273 N HN 0.600 nan 8.380 nan 0.000 0.472 274 C N 2.957 122.333 119.300 0.127 0.000 2.634 274 C HA 0.394 4.854 4.460 -0.001 0.000 0.268 274 C C 1.210 176.381 174.990 0.303 0.000 1.322 274 C CA 0.521 59.669 59.018 0.217 0.000 1.737 274 C CB -1.123 26.771 27.740 0.256 0.000 1.976 274 C HN 0.977 nan 8.230 nan 0.000 0.547 275 G N -1.191 107.713 108.800 0.175 0.000 2.334 275 G HA2 0.230 4.189 3.960 -0.001 0.000 0.249 275 G HA3 0.230 4.189 3.960 -0.001 0.000 0.249 275 G C -2.049 172.896 174.900 0.075 0.000 1.327 275 G CA -0.440 44.719 45.100 0.099 0.000 0.979 275 G HN 0.016 nan 8.290 nan 0.000 0.471 276 Y N 0.881 121.067 120.300 -0.190 0.000 2.457 276 Y HA 0.753 5.302 4.550 -0.001 0.000 0.343 276 Y C 0.102 175.889 175.900 -0.188 0.000 0.994 276 Y CA -0.809 57.203 58.100 -0.147 0.000 1.031 276 Y CB 1.906 40.293 38.460 -0.122 0.000 1.246 276 Y HN 0.725 nan 8.280 nan 0.000 0.449 277 R N 4.720 124.926 120.500 -0.490 0.000 2.407 277 R HA 0.566 4.906 4.340 -0.001 0.000 0.303 277 R C -0.635 175.409 176.300 -0.426 0.000 0.981 277 R CA -0.510 55.345 56.100 -0.408 0.000 0.905 277 R CB 0.877 31.040 30.300 -0.229 0.000 1.099 277 R HN 0.930 nan 8.270 nan 0.000 0.459 278 R N 3.049 123.302 120.500 -0.413 0.000 2.642 278 R HA 0.202 4.541 4.340 -0.001 0.000 0.435 278 R C -0.561 175.582 176.300 -0.262 0.000 1.046 278 R CA -0.297 55.665 56.100 -0.231 0.000 1.103 278 R CB 0.522 30.743 30.300 -0.132 0.000 1.425 278 R HN 0.804 nan 8.270 nan 0.000 0.586 279 C N -1.704 117.394 119.300 -0.338 0.000 3.301 279 C HA 0.628 5.088 4.460 -0.001 0.000 0.367 279 C C -0.170 174.745 174.990 -0.124 0.000 1.980 279 C CA -1.464 57.403 59.018 -0.253 0.000 1.349 279 C CB 1.178 28.691 27.740 -0.379 0.000 2.412 279 C HN 0.317 nan 8.230 nan 0.000 0.451 280 R N 1.206 121.684 120.500 -0.037 0.000 2.522 280 R HA 0.484 4.823 4.340 -0.001 0.000 0.284 280 R C 0.057 176.412 176.300 0.092 0.000 1.032 280 R CA 0.903 57.036 56.100 0.056 0.000 1.049 280 R CB -0.102 30.273 30.300 0.126 0.000 0.956 280 R HN 1.154 nan 8.270 nan 0.000 0.422 281 A N 3.521 126.409 122.820 0.113 0.000 2.366 281 A HA 0.228 4.548 4.320 -0.001 0.000 0.272 281 A C 1.014 178.696 177.584 0.164 0.000 1.135 281 A CA 0.094 52.221 52.037 0.149 0.000 0.804 281 A CB 0.489 19.587 19.000 0.163 0.000 1.064 281 A HN 1.019 nan 8.150 nan 0.000 0.499 282 S N 2.045 117.855 115.700 0.183 0.000 2.489 282 S HA 0.064 4.533 4.470 -0.001 0.000 0.228 282 S C 1.086 175.783 174.600 0.160 0.000 0.995 282 S CA 0.813 59.115 58.200 0.170 0.000 0.934 282 S CB -0.002 63.303 63.200 0.176 0.000 0.771 282 S HN 1.256 nan 8.310 nan 0.000 0.522 283 G N 1.867 110.785 108.800 0.197 0.000 4.486 283 G HA2 0.522 4.481 3.960 -0.001 0.000 0.306 283 G HA3 0.522 4.481 3.960 -0.001 0.000 0.306 283 G C -0.164 174.868 174.900 0.219 0.000 1.331 283 G CA -0.053 45.172 45.100 0.210 0.000 1.113 283 G HN 0.636 nan 8.290 nan 0.000 0.594 284 V N -2.560 117.464 119.914 0.183 0.000 3.046 284 V HA 0.576 4.695 4.120 -0.001 0.000 0.316 284 V C 1.353 177.532 176.094 0.142 0.000 1.104 284 V CA -0.970 61.457 62.300 0.211 0.000 1.006 284 V CB 1.720 33.733 31.823 0.318 0.000 1.058 284 V HN 0.073 nan 8.190 nan 0.000 0.440 285 L N 2.493 123.817 121.223 0.169 0.000 2.081 285 L HA -0.079 4.261 4.340 -0.001 0.000 0.212 285 L C 2.348 179.241 176.870 0.038 0.000 1.080 285 L CA 3.149 58.069 54.840 0.134 0.000 0.754 285 L CB -0.688 41.478 42.059 0.179 0.000 0.893 285 L HN 1.103 nan 8.230 nan 0.000 0.433 286 T N -5.953 108.550 114.554 -0.086 0.000 3.148 286 T HA -0.010 4.339 4.350 -0.001 0.000 0.253 286 T C 1.583 176.225 174.700 -0.097 0.000 1.134 286 T CA 0.747 62.740 62.100 -0.179 0.000 1.051 286 T CB -0.731 67.867 68.868 -0.451 0.000 0.959 286 T HN 0.298 nan 8.240 nan 0.000 0.525 287 T N 2.063 116.594 114.554 -0.038 0.000 2.635 287 T HA -0.176 4.174 4.350 -0.001 0.000 0.267 287 T C 2.203 176.927 174.700 0.041 0.000 1.040 287 T CA 1.808 63.924 62.100 0.026 0.000 1.156 287 T CB -0.691 68.217 68.868 0.066 0.000 0.863 287 T HN 0.549 nan 8.240 nan 0.000 0.430 288 S N -0.283 115.420 115.700 0.006 0.000 2.348 288 S HA -0.153 4.317 4.470 -0.001 0.000 0.221 288 S C 2.438 177.075 174.600 0.062 0.000 1.033 288 S CA 1.431 59.635 58.200 0.007 0.000 1.010 288 S CB -0.941 62.160 63.200 -0.165 0.000 0.891 288 S HN 0.669 nan 8.310 nan 0.000 0.442 289 C N 1.204 120.510 119.300 0.010 0.000 2.446 289 C HA 0.143 4.602 4.460 -0.001 0.000 0.277 289 C C 2.843 177.886 174.990 0.089 0.000 1.275 289 C CA 0.997 60.037 59.018 0.036 0.000 1.727 289 C CB -1.791 25.936 27.740 -0.021 0.000 2.010 289 C HN 0.721 nan 8.230 nan 0.000 0.486 290 G N 0.556 109.415 108.800 0.098 0.000 2.421 290 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.216 290 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.216 290 G C 1.523 176.512 174.900 0.149 0.000 1.171 290 G CA 1.089 46.255 45.100 0.111 0.000 0.775 290 G HN 0.581 nan 8.290 nan 0.000 0.543 291 N N 0.393 119.190 118.700 0.161 0.000 2.120 291 N HA -0.078 4.661 4.740 -0.001 0.000 0.188 291 N C 2.431 177.992 175.510 0.085 0.000 1.024 291 N CA 1.628 54.786 53.050 0.181 0.000 0.852 291 N CB -0.773 37.725 38.487 0.018 0.000 1.003 291 N HN 0.247 nan 8.380 nan 0.000 0.424 292 T N 1.765 116.375 114.554 0.093 0.000 2.708 292 T HA -0.034 4.315 4.350 -0.001 0.000 0.266 292 T C 2.151 176.924 174.700 0.122 0.000 1.037 292 T CA 0.773 62.939 62.100 0.109 0.000 1.146 292 T CB -0.362 68.637 68.868 0.218 0.000 0.865 292 T HN 0.126 nan 8.240 nan 0.000 0.435 293 L N 0.604 121.878 121.223 0.084 0.000 2.046 293 L HA -0.122 4.218 4.340 -0.001 0.000 0.208 293 L C 2.930 179.882 176.870 0.137 0.000 1.077 293 L CA 1.240 56.114 54.840 0.057 0.000 0.747 293 L CB -0.921 41.128 42.059 -0.016 0.000 0.896 293 L HN 0.290 nan 8.230 nan 0.000 0.432 294 T N -1.619 113.042 114.554 0.179 0.000 2.857 294 T HA -0.207 4.143 4.350 -0.001 0.000 0.266 294 T C 2.004 176.895 174.700 0.319 0.000 1.048 294 T CA 1.312 63.551 62.100 0.231 0.000 1.139 294 T CB -0.405 68.629 68.868 0.275 0.000 0.874 294 T HN 0.447 nan 8.240 nan 0.000 0.455 295 C N 0.718 120.252 119.300 0.391 0.000 2.429 295 C HA -0.081 4.378 4.460 -0.001 0.000 0.277 295 C C 2.396 177.537 174.990 0.251 0.000 1.262 295 C CA 0.487 59.722 59.018 0.361 0.000 1.733 295 C CB -1.351 26.477 27.740 0.146 0.000 2.010 295 C HN 0.661 nan 8.230 nan 0.000 0.483 296 Y N 1.017 121.372 120.300 0.091 0.000 2.200 296 Y HA -0.091 4.459 4.550 -0.001 0.000 0.290 296 Y C 2.128 178.040 175.900 0.020 0.000 1.137 296 Y CA 2.022 60.154 58.100 0.053 0.000 1.163 296 Y CB -0.564 37.912 38.460 0.026 0.000 0.988 296 Y HN 0.339 nan 8.280 nan 0.000 0.518 297 L N 1.035 122.348 121.223 0.150 0.000 1.994 297 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 297 L C 2.123 178.906 176.870 -0.144 0.000 1.071 297 L CA 1.982 56.786 54.840 -0.059 0.000 0.745 297 L CB -0.885 41.099 42.059 -0.125 0.000 0.892 297 L HN 0.124 nan 8.230 nan 0.000 0.431 298 K N -0.310 120.075 120.400 -0.025 0.000 2.026 298 K HA -0.106 4.213 4.320 -0.001 0.000 0.208 298 K C 2.100 178.711 176.600 0.020 0.000 1.048 298 K CA 1.439 57.725 56.287 -0.002 0.000 0.929 298 K CB -0.482 32.107 32.500 0.147 0.000 0.713 298 K HN 0.504 nan 8.250 nan 0.000 0.439 299 A N 1.255 124.085 122.820 0.016 0.000 1.877 299 A HA -0.154 4.166 4.320 -0.001 0.000 0.216 299 A C 2.276 179.888 177.584 0.047 0.000 1.186 299 A CA 1.870 53.946 52.037 0.064 0.000 0.620 299 A CB -0.610 18.499 19.000 0.183 0.000 0.822 299 A HN 0.184 nan 8.150 nan 0.000 0.443 300 S N 0.054 115.656 115.700 -0.162 0.000 2.359 300 S HA -0.112 4.358 4.470 -0.001 0.000 0.224 300 S C 2.322 176.869 174.600 -0.088 0.000 1.035 300 S CA 1.382 59.451 58.200 -0.219 0.000 1.018 300 S CB -0.559 62.354 63.200 -0.477 0.000 0.876 300 S HN 0.816 nan 8.310 nan 0.000 0.448 301 A N 1.514 124.291 122.820 -0.073 0.000 1.902 301 A HA 0.108 4.427 4.320 -0.001 0.000 0.217 301 A C 2.357 180.010 177.584 0.115 0.000 1.181 301 A CA 1.727 53.780 52.037 0.026 0.000 0.623 301 A CB -1.075 17.924 19.000 -0.003 0.000 0.818 301 A HN 0.528 nan 8.150 nan 0.000 0.443 302 A N -0.915 121.983 122.820 0.129 0.000 1.972 302 A HA -0.187 4.133 4.320 -0.001 0.000 0.219 302 A C 2.389 180.011 177.584 0.063 0.000 1.169 302 A CA 1.676 53.673 52.037 -0.066 0.000 0.635 302 A CB -1.435 17.149 19.000 -0.693 0.000 0.810 302 A HN 1.022 nan 8.150 nan 0.000 0.446 303 c N 0.081 118.818 118.600 0.227 0.000 2.425 303 c HA -0.093 4.477 4.570 -0.001 0.000 0.277 303 c C 2.781 176.902 174.090 0.051 0.000 1.280 303 c CA 1.352 57.841 56.329 0.267 0.000 1.744 303 c CB -1.288 41.326 42.510 0.173 0.000 1.989 303 c HN 0.629 nan 8.230 nan 0.000 0.491 304 R N 1.005 121.445 120.500 -0.101 0.000 2.062 304 R HA -0.035 4.305 4.340 -0.001 0.000 0.231 304 R C 2.674 178.758 176.300 -0.360 0.000 1.136 304 R CA 1.639 57.536 56.100 -0.339 0.000 0.948 304 R CB -0.838 29.059 30.300 -0.671 0.000 0.845 304 R HN 0.606 nan 8.270 nan 0.000 0.430 305 A N 1.514 124.175 122.820 -0.265 0.000 1.917 305 A HA -0.161 4.158 4.320 -0.001 0.000 0.219 305 A C 2.285 179.878 177.584 0.015 0.000 1.182 305 A CA 1.919 53.952 52.037 -0.007 0.000 0.633 305 A CB -0.596 18.452 19.000 0.080 0.000 0.819 305 A HN 0.433 nan 8.150 nan 0.000 0.448 306 A N -1.510 121.331 122.820 0.035 0.000 2.206 306 A HA 0.234 4.553 4.320 -0.001 0.000 0.211 306 A C 1.031 178.644 177.584 0.050 0.000 1.158 306 A CA 0.975 53.054 52.037 0.071 0.000 0.761 306 A CB -0.431 18.675 19.000 0.176 0.000 0.801 306 A HN 0.545 nan 8.150 nan 0.000 0.473 307 K N -1.790 118.624 120.400 0.022 0.000 3.117 307 K HA -0.154 4.165 4.320 -0.001 0.000 0.269 307 K C -0.889 175.725 176.600 0.022 0.000 1.098 307 K CA 0.243 56.538 56.287 0.014 0.000 0.785 307 K CB -1.975 30.538 32.500 0.020 0.000 1.242 307 K HN 0.326 nan 8.250 nan 0.000 0.491 308 L N 1.345 122.590 121.223 0.038 0.000 2.410 308 L HA 0.077 4.416 4.340 -0.001 0.000 0.273 308 L C 0.753 177.631 176.870 0.013 0.000 1.152 308 L CA 0.590 55.453 54.840 0.038 0.000 0.855 308 L CB 0.784 42.885 42.059 0.070 0.000 1.129 308 L HN 0.159 nan 8.230 nan 0.000 0.463 309 Q N 2.762 122.564 119.800 0.003 0.000 2.294 309 Q HA 0.177 4.517 4.340 -0.001 0.000 0.257 309 Q C -0.260 175.726 176.000 -0.023 0.000 0.955 309 Q CA -0.060 55.736 55.803 -0.010 0.000 0.936 309 Q CB 0.336 29.065 28.738 -0.015 0.000 1.188 309 Q HN 0.490 nan 8.270 nan 0.000 0.420 310 D N 2.380 122.767 120.400 -0.022 0.000 2.803 310 D HA -0.193 4.447 4.640 -0.001 0.000 0.233 310 D C -1.076 175.202 176.300 -0.037 0.000 1.182 310 D CA 0.828 54.811 54.000 -0.028 0.000 0.726 310 D CB -1.023 39.752 40.800 -0.041 0.000 0.987 310 D HN 0.634 nan 8.370 nan 0.000 0.412 311 c N 0.492 119.077 118.600 -0.025 0.000 2.499 311 c HA 0.735 5.305 4.570 -0.001 0.000 0.386 311 c C 0.677 174.751 174.090 -0.027 0.000 1.293 311 c CA -0.682 55.626 56.329 -0.036 0.000 1.884 311 c CB 0.646 43.145 42.510 -0.018 0.000 2.509 311 c HN 0.439 nan 8.230 nan 0.000 0.566 312 T N 7.255 121.786 114.554 -0.039 0.000 2.786 312 T HA 0.508 4.857 4.350 -0.001 0.000 0.283 312 T C 0.145 174.858 174.700 0.021 0.000 0.992 312 T CA -0.289 61.822 62.100 0.019 0.000 0.954 312 T CB 0.902 69.766 68.868 -0.006 0.000 0.934 312 T HN 0.709 nan 8.240 nan 0.000 0.440 313 M N 3.228 122.884 119.600 0.093 0.000 2.409 313 M HA 0.571 5.050 4.480 -0.001 0.000 0.329 313 M C -0.749 175.670 176.300 0.198 0.000 1.180 313 M CA -1.141 54.211 55.300 0.086 0.000 1.053 313 M CB 1.250 33.906 32.600 0.095 0.000 1.586 313 M HN 0.396 nan 8.290 nan 0.000 0.461 314 L N 2.652 123.953 121.223 0.130 0.000 2.446 314 L HA 0.629 4.969 4.340 -0.001 0.000 0.268 314 L C -1.548 175.336 176.870 0.023 0.000 0.975 314 L CA -0.408 54.515 54.840 0.138 0.000 0.848 314 L CB 1.541 43.708 42.059 0.180 0.000 1.225 314 L HN 0.467 nan 8.230 nan 0.000 0.410 315 V N 4.277 124.181 119.914 -0.016 0.000 2.531 315 V HA 0.598 4.718 4.120 -0.001 0.000 0.301 315 V C -0.750 175.163 176.094 -0.302 0.000 1.034 315 V CA -0.612 61.647 62.300 -0.068 0.000 0.865 315 V CB 1.963 33.840 31.823 0.090 0.000 0.995 315 V HN 0.780 nan 8.190 nan 0.000 0.424 316 N N 3.631 122.083 118.700 -0.413 0.000 2.623 316 N HA 0.625 5.364 4.740 -0.001 0.000 0.256 316 N C 0.577 175.893 175.510 -0.324 0.000 1.045 316 N CA 0.560 53.083 53.050 -0.880 0.000 0.863 316 N CB 1.727 39.587 38.487 -1.045 0.000 1.182 316 N HN 1.057 nan 8.380 nan 0.000 0.523 317 G N 2.463 111.244 108.800 -0.032 0.000 2.622 317 G HA2 -0.400 3.559 3.960 -0.001 0.000 0.307 317 G HA3 -0.400 3.559 3.960 -0.001 0.000 0.307 317 G C 0.515 175.265 174.900 -0.250 0.000 1.226 317 G CA 0.810 45.916 45.100 0.010 0.000 0.997 317 G HN 0.638 nan 8.290 nan 0.000 0.551 318 D N 1.230 121.406 120.400 -0.373 0.000 2.349 318 D HA 0.093 4.733 4.640 -0.001 0.000 0.224 318 D C 0.399 176.572 176.300 -0.212 0.000 1.029 318 D CA 0.832 54.453 54.000 -0.631 0.000 0.879 318 D CB -0.131 40.265 40.800 -0.673 0.000 0.906 318 D HN 0.413 nan 8.370 nan 0.000 0.528 319 D N 0.626 120.951 120.400 -0.125 0.000 2.280 319 D HA 0.298 4.937 4.640 -0.001 0.000 0.243 319 D C -0.985 175.293 176.300 -0.036 0.000 1.129 319 D CA -0.549 53.422 54.000 -0.049 0.000 0.848 319 D CB 1.148 41.917 40.800 -0.053 0.000 1.107 319 D HN 0.065 nan 8.370 nan 0.000 0.471 320 L N 4.729 125.978 121.223 0.042 0.000 2.410 320 L HA 0.539 4.878 4.340 -0.001 0.000 0.270 320 L C -1.800 175.081 176.870 0.018 0.000 0.983 320 L CA -0.615 54.261 54.840 0.060 0.000 0.822 320 L CB 2.008 44.174 42.059 0.179 0.000 1.285 320 L HN 0.157 nan 8.230 nan 0.000 0.409 321 V N 5.308 125.185 119.914 -0.061 0.000 2.709 321 V HA 0.730 4.849 4.120 -0.001 0.000 0.308 321 V C -1.083 174.844 176.094 -0.278 0.000 1.062 321 V CA -0.453 61.744 62.300 -0.172 0.000 0.901 321 V CB 2.578 34.334 31.823 -0.110 0.000 1.003 321 V HN 0.589 nan 8.190 nan 0.000 0.425 322 V N 6.206 125.763 119.914 -0.595 0.000 2.588 322 V HA 0.607 4.726 4.120 -0.001 0.000 0.304 322 V C -0.826 174.990 176.094 -0.464 0.000 1.042 322 V CA -0.644 61.282 62.300 -0.624 0.000 0.877 322 V CB 1.953 33.117 31.823 -1.098 0.000 0.996 322 V HN 0.580 nan 8.190 nan 0.000 0.425 323 I N 4.355 124.790 120.570 -0.225 0.000 2.436 323 I HA 0.687 4.857 4.170 -0.001 0.000 0.289 323 I C 0.133 176.173 176.117 -0.128 0.000 1.010 323 I CA -0.189 61.046 61.300 -0.109 0.000 1.098 323 I CB 1.408 39.395 38.000 -0.023 0.000 1.266 323 I HN 0.978 nan 8.210 nan 0.000 0.434 324 C N 3.267 122.492 119.300 -0.125 0.000 3.295 324 C HA 0.728 5.187 4.460 -0.001 0.000 0.370 324 C C -0.075 174.829 174.990 -0.143 0.000 1.974 324 C CA -0.787 58.166 59.018 -0.108 0.000 1.282 324 C CB 1.614 29.328 27.740 -0.044 0.000 2.380 324 C HN 0.718 nan 8.230 nan 0.000 0.443 325 E N 1.390 121.531 120.200 -0.098 0.000 2.229 325 E HA 0.470 4.819 4.350 -0.001 0.000 0.283 325 E C 0.034 176.603 176.600 -0.051 0.000 1.030 325 E CA 0.439 56.781 56.400 -0.097 0.000 0.836 325 E CB 1.161 30.819 29.700 -0.071 0.000 1.068 325 E HN 0.767 nan 8.360 nan 0.000 0.401 326 S N 2.822 118.498 115.700 -0.041 0.000 2.576 326 S HA 0.412 4.882 4.470 -0.001 0.000 0.276 326 S C 0.310 174.922 174.600 0.021 0.000 1.339 326 S CA 0.247 58.471 58.200 0.040 0.000 1.039 326 S CB 0.632 63.903 63.200 0.117 0.000 0.902 326 S HN 0.579 nan 8.310 nan 0.000 0.516 327 A N 3.076 125.918 122.820 0.038 0.000 2.564 327 A HA 0.657 4.976 4.320 -0.001 0.000 0.279 327 A C 0.782 178.374 177.584 0.013 0.000 1.232 327 A CA 0.242 52.288 52.037 0.015 0.000 0.950 327 A CB -0.700 18.308 19.000 0.014 0.000 1.138 327 A HN 1.821 nan 8.150 nan 0.000 0.526 328 G N -1.241 107.571 108.800 0.020 0.000 2.617 328 G HA2 0.064 4.024 3.960 -0.001 0.000 0.686 328 G HA3 0.064 4.024 3.960 -0.001 0.000 0.686 328 G C 0.476 175.384 174.900 0.013 0.000 1.214 328 G CA 0.076 45.168 45.100 -0.014 0.000 0.796 328 G HN 0.842 nan 8.290 nan 0.000 0.654 329 T N -0.301 114.220 114.554 -0.055 0.000 2.624 329 T HA -0.234 4.115 4.350 -0.001 0.000 0.268 329 T C 2.133 176.864 174.700 0.052 0.000 1.041 329 T CA 2.190 64.283 62.100 -0.012 0.000 1.159 329 T CB -0.300 68.513 68.868 -0.091 0.000 0.863 329 T HN 0.611 nan 8.240 nan 0.000 0.434 330 Q N 0.647 120.456 119.800 0.015 0.000 2.050 330 Q HA -0.080 4.259 4.340 -0.001 0.000 0.202 330 Q C 2.496 178.509 176.000 0.021 0.000 0.980 330 Q CA 1.696 57.509 55.803 0.016 0.000 0.840 330 Q CB -0.430 28.309 28.738 0.002 0.000 0.898 330 Q HN 0.580 nan 8.270 nan 0.000 0.424 331 E N 1.367 121.579 120.200 0.020 0.000 2.077 331 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 331 E C 1.420 178.034 176.600 0.023 0.000 0.989 331 E CA 1.342 57.753 56.400 0.018 0.000 0.800 331 E CB -0.148 29.561 29.700 0.015 0.000 0.746 331 E HN 0.199 nan 8.360 nan 0.000 0.452 332 D N 0.150 120.579 120.400 0.049 0.000 2.116 332 D HA -0.202 4.438 4.640 -0.001 0.000 0.193 332 D C 1.794 178.093 176.300 -0.002 0.000 0.998 332 D CA 1.907 55.934 54.000 0.045 0.000 0.836 332 D CB -0.656 40.228 40.800 0.141 0.000 0.951 332 D HN 0.333 nan 8.370 nan 0.000 0.449 333 A N 0.853 123.686 122.820 0.021 0.000 1.940 333 A HA -0.106 4.214 4.320 -0.001 0.000 0.219 333 A C 2.298 179.869 177.584 -0.022 0.000 1.176 333 A CA 2.477 54.510 52.037 -0.005 0.000 0.631 333 A CB -0.660 18.351 19.000 0.017 0.000 0.814 333 A HN 0.267 nan 8.150 nan 0.000 0.446 334 A N -0.713 122.102 122.820 -0.008 0.000 1.872 334 A HA 0.000 4.319 4.320 -0.001 0.000 0.214 334 A C 2.444 180.021 177.584 -0.011 0.000 1.187 334 A CA 1.868 53.900 52.037 -0.007 0.000 0.614 334 A CB -0.858 18.142 19.000 0.001 0.000 0.826 334 A HN 0.457 nan 8.150 nan 0.000 0.442 335 S N 0.021 115.713 115.700 -0.014 0.000 2.359 335 S HA -0.136 4.334 4.470 -0.001 0.000 0.224 335 S C 1.863 176.449 174.600 -0.023 0.000 1.035 335 S CA 1.388 59.584 58.200 -0.006 0.000 1.018 335 S CB -0.533 62.663 63.200 -0.007 0.000 0.876 335 S HN 0.482 nan 8.310 nan 0.000 0.448 336 L N 1.012 122.161 121.223 -0.123 0.000 2.079 336 L HA -0.178 4.161 4.340 -0.001 0.000 0.210 336 L C 2.791 179.638 176.870 -0.039 0.000 1.081 336 L CA 1.374 56.073 54.840 -0.235 0.000 0.752 336 L CB -0.287 41.541 42.059 -0.385 0.000 0.896 336 L HN 0.293 nan 8.230 nan 0.000 0.433 337 R N -0.754 119.733 120.500 -0.022 0.000 2.081 337 R HA -0.151 4.188 4.340 -0.001 0.000 0.235 337 R C 2.098 178.412 176.300 0.023 0.000 1.131 337 R CA 1.581 57.686 56.100 0.009 0.000 0.960 337 R CB -0.095 30.203 30.300 -0.004 0.000 0.856 337 R HN 0.192 nan 8.270 nan 0.000 0.436 338 V N 0.601 120.529 119.914 0.023 0.000 2.453 338 V HA -0.201 3.918 4.120 -0.001 0.000 0.247 338 V C 1.930 178.031 176.094 0.011 0.000 1.048 338 V CA 1.666 63.972 62.300 0.010 0.000 1.049 338 V CB -0.629 31.204 31.823 0.017 0.000 0.672 338 V HN 0.321 nan 8.190 nan 0.000 0.457 339 F N 1.665 121.567 119.950 -0.080 0.000 2.095 339 F HA -0.238 4.289 4.527 -0.001 0.000 0.298 339 F C 2.407 178.149 175.800 -0.097 0.000 1.104 339 F CA 2.343 60.292 58.000 -0.084 0.000 1.232 339 F CB -0.505 38.440 39.000 -0.093 0.000 0.987 339 F HN 0.122 nan 8.300 nan 0.000 0.475 340 T N -0.076 114.546 114.554 0.113 0.000 2.821 340 T HA -0.171 4.179 4.350 -0.001 0.000 0.267 340 T C 1.690 176.369 174.700 -0.036 0.000 1.046 340 T CA 1.664 63.841 62.100 0.129 0.000 1.139 340 T CB -0.319 68.703 68.868 0.256 0.000 0.871 340 T HN 0.405 nan 8.240 nan 0.000 0.454 341 E N 0.990 121.146 120.200 -0.073 0.000 2.106 341 E HA -0.010 4.339 4.350 -0.001 0.000 0.192 341 E C 2.548 179.004 176.600 -0.241 0.000 0.984 341 E CA 0.879 57.209 56.400 -0.116 0.000 0.806 341 E CB -0.175 29.474 29.700 -0.086 0.000 0.750 341 E HN 0.481 nan 8.360 nan 0.000 0.458 342 A N 1.310 123.925 122.820 -0.342 0.000 1.873 342 A HA -0.175 4.145 4.320 -0.001 0.000 0.215 342 A C 2.166 179.267 177.584 -0.806 0.000 1.186 342 A CA 1.161 52.834 52.037 -0.606 0.000 0.616 342 A CB -0.316 18.373 19.000 -0.517 0.000 0.823 342 A HN 0.106 nan 8.150 nan 0.000 0.442 343 M N -0.143 119.119 119.600 -0.565 0.000 2.106 343 M HA -0.139 4.340 4.480 -0.001 0.000 0.259 343 M C 2.192 178.395 176.300 -0.163 0.000 1.068 343 M CA 2.131 57.236 55.300 -0.325 0.000 1.100 343 M CB -1.989 30.362 32.600 -0.415 0.000 1.351 343 M HN 0.459 nan 8.290 nan 0.000 0.404 344 T N 0.103 114.566 114.554 -0.152 0.000 2.746 344 T HA -0.131 4.218 4.350 -0.001 0.000 0.267 344 T C 1.959 176.587 174.700 -0.120 0.000 1.039 344 T CA 1.173 63.224 62.100 -0.081 0.000 1.142 344 T CB -0.222 68.609 68.868 -0.063 0.000 0.866 344 T HN 0.386 nan 8.240 nan 0.000 0.444 345 R N -0.001 120.354 120.500 -0.240 0.000 2.120 345 R HA -0.066 4.274 4.340 -0.001 0.000 0.234 345 R C 1.579 177.812 176.300 -0.111 0.000 1.123 345 R CA 1.111 57.075 56.100 -0.226 0.000 0.975 345 R CB -0.264 29.828 30.300 -0.347 0.000 0.866 345 R HN 0.449 nan 8.270 nan 0.000 0.446 346 Y N -0.071 120.169 120.300 -0.100 0.000 2.471 346 Y HA 0.119 4.669 4.550 -0.001 0.000 0.286 346 Y C 0.876 176.723 175.900 -0.088 0.000 1.188 346 Y CA -0.473 57.557 58.100 -0.116 0.000 1.286 346 Y CB -0.148 38.270 38.460 -0.069 0.000 1.072 346 Y HN -0.054 nan 8.280 nan 0.000 0.517 347 S N -0.067 115.669 115.700 0.061 0.000 3.858 347 S HA -0.129 4.341 4.470 -0.001 0.000 0.356 347 S C 0.044 174.656 174.600 0.019 0.000 1.013 347 S CA 0.484 58.702 58.200 0.029 0.000 1.083 347 S CB -1.408 61.800 63.200 0.013 0.000 0.883 347 S HN 0.687 nan 8.310 nan 0.000 0.475 348 A N 1.748 124.603 122.820 0.058 0.000 3.365 348 A HA 0.562 4.882 4.320 -0.001 0.000 0.258 348 A C -2.184 175.526 177.584 0.211 0.000 0.964 348 A CA -0.716 51.394 52.037 0.120 0.000 0.988 348 A CB 0.816 19.926 19.000 0.183 0.000 1.193 348 A HN 0.465 nan 8.150 nan 0.000 0.508 349 P HA 0.225 nan 4.420 nan 0.000 0.269 349 P C -2.878 174.493 177.300 0.119 0.000 1.209 349 P CA -0.736 62.419 63.100 0.092 0.000 0.776 349 P CB 0.766 32.444 31.700 -0.038 0.000 0.876 350 P HA 0.127 nan 4.420 nan 0.000 0.281 350 P C 0.485 177.724 177.300 -0.102 0.000 1.249 350 P CA 0.017 63.034 63.100 -0.138 0.000 0.810 350 P CB 1.175 32.740 31.700 -0.225 0.000 1.008 351 G N 1.680 110.408 108.800 -0.120 0.000 2.618 351 G HA2 0.043 4.002 3.960 -0.001 0.000 0.222 351 G HA3 0.043 4.002 3.960 -0.001 0.000 0.222 351 G C -0.140 174.714 174.900 -0.077 0.000 1.520 351 G CA 0.021 45.081 45.100 -0.066 0.000 0.930 351 G HN 0.459 nan 8.290 nan 0.000 0.547 352 D N 2.342 122.694 120.400 -0.080 0.000 2.383 352 D HA 0.304 4.943 4.640 -0.001 0.000 0.252 352 D C -2.198 174.048 176.300 -0.091 0.000 1.166 352 D CA -0.717 53.244 54.000 -0.065 0.000 0.879 352 D CB 1.305 42.078 40.800 -0.045 0.000 1.164 352 D HN -0.029 nan 8.370 nan 0.000 0.462 353 P HA 0.100 nan 4.420 nan 0.000 0.268 353 P C -2.289 174.990 177.300 -0.035 0.000 1.205 353 P CA -0.836 62.235 63.100 -0.048 0.000 0.771 353 P CB -0.066 31.621 31.700 -0.022 0.000 0.858 354 P HA 0.094 nan 4.420 nan 0.000 0.275 354 P C -1.157 176.132 177.300 -0.019 0.000 1.227 354 P CA -0.093 63.025 63.100 0.031 0.000 0.781 354 P CB 0.679 32.443 31.700 0.107 0.000 0.906 355 Q N 3.155 122.964 119.800 0.014 0.000 2.323 355 Q HA 0.567 4.906 4.340 -0.001 0.000 0.271 355 Q C -2.797 173.206 176.000 0.005 0.000 1.048 355 Q CA -2.319 53.481 55.803 -0.006 0.000 0.792 355 Q CB 2.143 30.889 28.738 0.014 0.000 1.280 355 Q HN 0.252 nan 8.270 nan 0.000 0.441 356 P HA 0.087 nan 4.420 nan 0.000 0.268 356 P C -0.844 176.334 177.300 -0.203 0.000 1.205 356 P CA 0.161 63.188 63.100 -0.121 0.000 0.771 356 P CB 0.915 32.516 31.700 -0.163 0.000 0.858 357 E N 1.803 121.838 120.200 -0.274 0.000 2.266 357 E HA 0.228 4.578 4.350 -0.001 0.000 0.268 357 E C -0.544 175.876 176.600 -0.300 0.000 0.879 357 E CA -0.497 55.789 56.400 -0.190 0.000 0.762 357 E CB 1.448 31.121 29.700 -0.045 0.000 1.199 357 E HN 0.422 nan 8.360 nan 0.000 0.422 358 Y N -0.209 120.232 120.300 0.236 0.000 2.531 358 Y HA 0.173 4.723 4.550 -0.001 0.000 0.249 358 Y C 0.266 176.404 175.900 0.396 0.000 1.168 358 Y CA -0.338 57.959 58.100 0.328 0.000 1.226 358 Y CB 1.026 39.586 38.460 0.167 0.000 1.177 358 Y HN 0.231 nan 8.280 nan 0.000 0.527 359 D N 0.560 121.106 120.400 0.242 0.000 2.505 359 D HA 0.105 4.744 4.640 -0.001 0.000 0.250 359 D C 0.804 176.890 176.300 -0.356 0.000 1.164 359 D CA -0.262 53.753 54.000 0.024 0.000 0.870 359 D CB 1.643 42.462 40.800 0.033 0.000 1.160 359 D HN 0.156 nan 8.370 nan 0.000 0.549 360 L N 4.534 125.219 121.223 -0.897 0.000 2.043 360 L HA -0.156 4.183 4.340 -0.001 0.000 0.212 360 L C 1.668 178.200 176.870 -0.564 0.000 1.075 360 L CA 2.017 56.137 54.840 -1.199 0.000 0.752 360 L CB -0.272 40.847 42.059 -1.567 0.000 0.891 360 L HN 0.491 nan 8.230 nan 0.000 0.432 361 E N -0.673 119.308 120.200 -0.364 0.000 2.265 361 E HA -0.188 4.161 4.350 -0.001 0.000 0.196 361 E C 2.049 178.554 176.600 -0.159 0.000 0.996 361 E CA 1.083 57.357 56.400 -0.210 0.000 0.832 361 E CB -0.223 29.407 29.700 -0.117 0.000 0.756 361 E HN 0.564 nan 8.360 nan 0.000 0.491 362 L N 0.802 121.931 121.223 -0.156 0.000 2.591 362 L HA 0.128 4.468 4.340 -0.001 0.000 0.228 362 L C 0.735 177.548 176.870 -0.096 0.000 1.133 362 L CA -0.065 54.718 54.840 -0.094 0.000 0.880 362 L CB 0.141 42.169 42.059 -0.051 0.000 1.033 362 L HN 0.029 nan 8.230 nan 0.000 0.450 363 I N -0.072 120.409 120.570 -0.148 0.000 2.342 363 I HA 0.099 4.269 4.170 -0.001 0.000 0.291 363 I C 0.050 176.113 176.117 -0.090 0.000 1.010 363 I CA 0.112 61.343 61.300 -0.116 0.000 1.308 363 I CB 1.347 39.251 38.000 -0.159 0.000 1.400 363 I HN -0.108 nan 8.210 nan 0.000 0.488 364 T N 5.020 119.544 114.554 -0.050 0.000 2.758 364 T HA 0.448 4.798 4.350 -0.001 0.000 0.285 364 T C -0.292 174.398 174.700 -0.016 0.000 0.981 364 T CA -0.623 61.459 62.100 -0.030 0.000 0.965 364 T CB 0.914 69.772 68.868 -0.017 0.000 0.927 364 T HN 0.720 nan 8.240 nan 0.000 0.448 365 S N 0.882 116.576 115.700 -0.010 0.000 2.575 365 S HA 0.438 4.907 4.470 -0.001 0.000 0.278 365 S C 0.101 174.716 174.600 0.025 0.000 1.139 365 S CA -0.812 57.386 58.200 -0.003 0.000 0.954 365 S CB 0.626 63.809 63.200 -0.028 0.000 1.054 365 S HN 0.896 nan 8.310 nan 0.000 0.483 366 C N 2.129 121.449 119.300 0.033 0.000 4.350 366 C HA -0.174 4.286 4.460 -0.001 0.000 0.302 366 C C 1.359 176.421 174.990 0.119 0.000 1.390 366 C CA 0.705 59.769 59.018 0.076 0.000 2.016 366 C CB -3.225 24.565 27.740 0.084 0.000 1.271 366 C HN 1.636 nan 8.230 nan 0.000 0.760 367 S N -1.298 114.452 115.700 0.083 0.000 3.402 367 S HA -0.207 4.262 4.470 -0.001 0.000 0.329 367 S C 0.366 175.010 174.600 0.073 0.000 1.194 367 S CA 1.309 59.553 58.200 0.073 0.000 0.951 367 S CB -0.782 62.473 63.200 0.091 0.000 0.975 367 S HN 1.058 nan 8.310 nan 0.000 0.574 368 S N 1.474 117.227 115.700 0.088 0.000 2.667 368 S HA 0.805 5.274 4.470 -0.001 0.000 0.292 368 S C -0.415 174.203 174.600 0.030 0.000 1.126 368 S CA -0.952 57.309 58.200 0.101 0.000 0.881 368 S CB 1.851 65.186 63.200 0.225 0.000 1.132 368 S HN 0.599 nan 8.310 nan 0.000 0.492 369 N N -1.000 117.704 118.700 0.006 0.000 2.591 369 N HA 0.385 5.125 4.740 -0.001 0.000 0.263 369 N C -1.636 173.808 175.510 -0.111 0.000 1.308 369 N CA -0.599 52.412 53.050 -0.065 0.000 0.837 369 N CB 1.141 39.580 38.487 -0.079 0.000 1.548 369 N HN 0.346 nan 8.380 nan 0.000 0.493 370 V N 0.589 120.408 119.914 -0.159 0.000 2.686 370 V HA 0.381 4.501 4.120 -0.001 0.000 0.295 370 V C 0.534 176.499 176.094 -0.215 0.000 1.055 370 V CA 0.158 62.342 62.300 -0.193 0.000 1.050 370 V CB 0.964 32.666 31.823 -0.203 0.000 0.984 370 V HN 0.846 nan 8.190 nan 0.000 0.482 371 S N 2.813 118.299 115.700 -0.358 0.000 2.720 371 S HA 0.807 5.276 4.470 -0.001 0.000 0.287 371 S C -1.293 173.205 174.600 -0.170 0.000 1.168 371 S CA -0.458 57.574 58.200 -0.280 0.000 0.832 371 S CB 2.060 65.061 63.200 -0.332 0.000 1.166 371 S HN 0.635 nan 8.310 nan 0.000 0.493 372 V N 0.818 120.743 119.914 0.018 0.000 2.876 372 V HA 0.995 5.115 4.120 -0.001 0.000 0.312 372 V C -0.305 175.771 176.094 -0.031 0.000 1.085 372 V CA 0.326 62.583 62.300 -0.072 0.000 0.945 372 V CB 1.376 32.992 31.823 -0.346 0.000 1.017 372 V HN 1.335 nan 8.190 nan 0.000 0.428 373 A N 4.240 126.871 122.820 -0.315 0.000 2.583 373 A HA 0.881 5.200 4.320 -0.001 0.000 0.299 373 A C -1.383 175.701 177.584 -0.832 0.000 1.258 373 A CA -0.556 51.142 52.037 -0.565 0.000 0.682 373 A CB 1.723 20.197 19.000 -0.876 0.000 1.332 373 A HN 0.921 nan 8.150 nan 0.000 0.485 374 H N 0.444 119.143 119.070 -0.619 0.000 2.717 374 H HA 0.361 4.917 4.556 -0.001 0.000 0.366 374 H C -1.104 173.854 175.328 -0.618 0.000 1.132 374 H CA -0.391 55.307 56.048 -0.583 0.000 1.180 374 H CB 1.908 31.299 29.762 -0.617 0.000 1.678 374 H HN 0.923 nan 8.280 nan 0.000 0.537 375 D N 0.983 121.258 120.400 -0.208 0.000 2.478 375 D HA 0.184 4.824 4.640 -0.001 0.000 0.274 375 D C 1.246 177.590 176.300 0.074 0.000 1.234 375 D CA -0.293 53.656 54.000 -0.086 0.000 1.069 375 D CB 0.465 41.230 40.800 -0.058 0.000 1.113 375 D HN 0.463 nan 8.370 nan 0.000 0.571 376 A N 0.382 123.262 122.820 0.101 0.000 1.849 376 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 376 A C 2.279 179.932 177.584 0.114 0.000 1.202 376 A CA 2.894 55.007 52.037 0.127 0.000 0.629 376 A CB -1.383 17.663 19.000 0.076 0.000 0.834 376 A HN 0.586 nan 8.150 nan 0.000 0.447 377 S N -1.571 114.170 115.700 0.068 0.000 2.423 377 S HA 0.068 4.537 4.470 -0.001 0.000 0.238 377 S C 1.591 176.229 174.600 0.064 0.000 1.028 377 S CA 1.817 60.048 58.200 0.052 0.000 1.000 377 S CB -0.477 62.743 63.200 0.034 0.000 0.797 377 S HN 1.942 nan 8.310 nan 0.000 0.487 378 G N 0.841 109.697 108.800 0.093 0.000 2.179 378 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.220 378 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.220 378 G C -0.003 174.968 174.900 0.118 0.000 0.990 378 G CA 0.141 45.295 45.100 0.091 0.000 0.646 378 G HN 0.577 nan 8.290 nan 0.000 0.517 379 K N 0.809 121.258 120.400 0.081 0.000 2.237 379 K HA 0.510 4.829 4.320 -0.001 0.000 0.270 379 K C 0.712 177.296 176.600 -0.027 0.000 1.015 379 K CA -0.675 55.644 56.287 0.054 0.000 0.949 379 K CB 0.359 32.858 32.500 -0.001 0.000 0.976 379 K HN 0.238 nan 8.250 nan 0.000 0.472 380 R N 1.841 122.263 120.500 -0.130 0.000 2.442 380 R HA 0.129 4.468 4.340 -0.001 0.000 0.291 380 R C -0.678 175.375 176.300 -0.411 0.000 1.069 380 R CA -0.234 55.579 56.100 -0.479 0.000 1.022 380 R CB 1.106 31.162 30.300 -0.406 0.000 0.976 380 R HN 0.376 nan 8.270 nan 0.000 0.443 381 V N 5.199 124.818 119.914 -0.491 0.000 2.588 381 V HA 0.397 4.517 4.120 -0.001 0.000 0.304 381 V C -1.463 174.454 176.094 -0.294 0.000 1.042 381 V CA -0.737 61.386 62.300 -0.295 0.000 0.877 381 V CB 1.403 33.100 31.823 -0.210 0.000 0.996 381 V HN 0.605 nan 8.190 nan 0.000 0.425 382 Y N 7.152 127.438 120.300 -0.023 0.000 2.334 382 Y HA 0.731 5.280 4.550 -0.001 0.000 0.328 382 Y C -0.016 175.940 175.900 0.093 0.000 1.130 382 Y CA 0.029 58.127 58.100 -0.003 0.000 1.163 382 Y CB 1.588 40.006 38.460 -0.071 0.000 1.207 382 Y HN 0.809 nan 8.280 nan 0.000 0.471 383 Y N 0.404 120.753 120.300 0.082 0.000 2.655 383 Y HA 0.678 5.227 4.550 -0.001 0.000 0.336 383 Y C -2.269 173.683 175.900 0.087 0.000 1.154 383 Y CA -2.057 56.074 58.100 0.050 0.000 1.055 383 Y CB 0.673 39.129 38.460 -0.007 0.000 1.295 383 Y HN 0.436 nan 8.280 nan 0.000 0.465 384 L N 2.261 123.508 121.223 0.041 0.000 2.275 384 L HA 0.713 5.052 4.340 -0.001 0.000 0.288 384 L C 0.057 177.072 176.870 0.241 0.000 1.046 384 L CA 0.424 55.294 54.840 0.050 0.000 0.805 384 L CB 1.172 43.318 42.059 0.146 0.000 1.193 384 L HN 1.042 nan 8.230 nan 0.000 0.426 385 T N 4.585 119.220 114.554 0.134 0.000 2.693 385 T HA 0.891 5.240 4.350 -0.001 0.000 0.278 385 T C -0.994 173.805 174.700 0.165 0.000 0.994 385 T CA -0.557 61.725 62.100 0.303 0.000 1.033 385 T CB 1.123 70.161 68.868 0.285 0.000 1.342 385 T HN 0.837 nan 8.240 nan 0.000 0.538 386 R N 0.348 120.891 120.500 0.071 0.000 2.741 386 R HA 0.431 4.770 4.340 -0.001 0.000 0.276 386 R C -1.686 174.420 176.300 -0.323 0.000 1.028 386 R CA -0.976 55.043 56.100 -0.135 0.000 0.865 386 R CB 0.264 30.420 30.300 -0.240 0.000 1.268 386 R HN 0.516 nan 8.270 nan 0.000 0.475 387 D N 2.055 122.276 120.400 -0.298 0.000 2.417 387 D HA 0.074 4.713 4.640 -0.001 0.000 0.250 387 D C -1.401 174.537 176.300 -0.603 0.000 1.166 387 D CA -1.490 52.298 54.000 -0.353 0.000 0.881 387 D CB 1.316 41.995 40.800 -0.202 0.000 1.164 387 D HN 0.377 nan 8.370 nan 0.000 0.467 388 P HA 0.009 nan 4.420 nan 0.000 0.253 388 P C 1.040 178.039 177.300 -0.501 0.000 1.260 388 P CA 0.080 62.544 63.100 -1.061 0.000 0.800 388 P CB 0.312 31.215 31.700 -1.327 0.000 1.162 389 T N -0.219 114.147 114.554 -0.314 0.000 2.684 389 T HA -0.117 4.233 4.350 -0.001 0.000 0.267 389 T C 1.768 176.410 174.700 -0.097 0.000 1.036 389 T CA 2.263 64.272 62.100 -0.151 0.000 1.148 389 T CB -0.924 67.896 68.868 -0.080 0.000 0.863 389 T HN 0.214 nan 8.240 nan 0.000 0.436 390 T N 1.998 116.493 114.554 -0.098 0.000 2.770 390 T HA -0.020 4.330 4.350 -0.001 0.000 0.263 390 T C -0.579 174.086 174.700 -0.059 0.000 1.039 390 T CA 0.926 62.998 62.100 -0.047 0.000 1.142 390 T CB -1.149 67.715 68.868 -0.006 0.000 0.868 390 T HN 0.305 nan 8.240 nan 0.000 0.435 391 P HA -0.038 nan 4.420 nan 0.000 0.216 391 P C 1.457 178.797 177.300 0.066 0.000 1.153 391 P CA 1.026 64.133 63.100 0.012 0.000 0.858 391 P CB -0.184 31.489 31.700 -0.045 0.000 0.789 392 L N -1.632 119.587 121.223 -0.007 0.000 2.109 392 L HA -0.098 4.241 4.340 -0.001 0.000 0.207 392 L C 2.471 179.384 176.870 0.071 0.000 1.086 392 L CA 1.329 56.190 54.840 0.035 0.000 0.760 392 L CB -1.147 40.895 42.059 -0.029 0.000 0.910 392 L HN -0.060 nan 8.230 nan 0.000 0.437 393 A N 0.438 123.288 122.820 0.050 0.000 1.902 393 A HA -0.197 4.122 4.320 -0.001 0.000 0.217 393 A C 2.390 180.046 177.584 0.120 0.000 1.181 393 A CA 1.477 53.564 52.037 0.083 0.000 0.623 393 A CB -0.435 18.591 19.000 0.044 0.000 0.818 393 A HN 0.322 nan 8.150 nan 0.000 0.443 394 R N -0.609 119.932 120.500 0.069 0.000 2.115 394 R HA 0.024 4.364 4.340 -0.001 0.000 0.226 394 R C 2.393 178.840 176.300 0.245 0.000 1.100 394 R CA 0.956 57.112 56.100 0.093 0.000 0.980 394 R CB -0.378 29.916 30.300 -0.010 0.000 0.875 394 R HN 0.511 nan 8.270 nan 0.000 0.445 395 A N 1.342 124.326 122.820 0.274 0.000 1.930 395 A HA -0.065 4.255 4.320 -0.001 0.000 0.217 395 A C 2.361 180.178 177.584 0.389 0.000 1.175 395 A CA 1.523 53.829 52.037 0.449 0.000 0.627 395 A CB -0.514 18.762 19.000 0.459 0.000 0.815 395 A HN 0.363 nan 8.150 nan 0.000 0.443 396 A N -1.313 121.648 122.820 0.234 0.000 1.902 396 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 396 A C 2.095 179.788 177.584 0.183 0.000 1.181 396 A CA 1.379 53.510 52.037 0.157 0.000 0.623 396 A CB -0.816 18.265 19.000 0.134 0.000 0.818 396 A HN 0.827 nan 8.150 nan 0.000 0.443 397 W N 1.011 122.354 121.300 0.072 0.000 2.379 397 W HA -0.132 4.528 4.660 -0.001 0.000 0.307 397 W C 1.645 178.207 176.519 0.072 0.000 1.200 397 W CA 1.880 59.252 57.345 0.045 0.000 1.297 397 W CB -0.354 29.114 29.460 0.014 0.000 1.140 397 W HN 0.548 nan 8.180 nan 0.000 0.507 398 E N -0.742 119.718 120.200 0.434 0.000 2.409 398 E HA -0.132 4.217 4.350 -0.001 0.000 0.198 398 E C 1.894 178.665 176.600 0.285 0.000 1.024 398 E CA 1.364 57.984 56.400 0.367 0.000 0.861 398 E CB -0.152 29.804 29.700 0.426 0.000 0.788 398 E HN 0.074 nan 8.360 nan 0.000 0.521 399 T N 0.045 114.753 114.554 0.257 0.000 2.951 399 T HA -0.027 4.322 4.350 -0.001 0.000 0.268 399 T C 1.611 176.302 174.700 -0.014 0.000 1.073 399 T CA 1.165 63.355 62.100 0.149 0.000 1.134 399 T CB 0.129 69.087 68.868 0.150 0.000 0.884 399 T HN 0.222 nan 8.240 nan 0.000 0.479 400 A N 0.125 122.894 122.820 -0.085 0.000 2.419 400 A HA 0.377 4.696 4.320 -0.001 0.000 0.233 400 A C 0.707 178.166 177.584 -0.208 0.000 1.217 400 A CA -0.213 51.722 52.037 -0.170 0.000 0.944 400 A CB 0.619 19.485 19.000 -0.223 0.000 1.025 400 A HN 0.081 nan 8.150 nan 0.000 0.524 401 R N 0.626 121.021 120.500 -0.174 0.000 2.514 401 R HA 0.312 4.651 4.340 -0.001 0.000 0.296 401 R C -1.707 174.588 176.300 -0.009 0.000 1.012 401 R CA -0.465 55.577 56.100 -0.097 0.000 0.897 401 R CB 0.786 31.062 30.300 -0.040 0.000 1.184 401 R HN 0.486 nan 8.270 nan 0.000 0.440 402 H N 1.035 120.177 119.070 0.120 0.000 2.848 402 H HA 0.146 4.701 4.556 -0.001 0.000 0.317 402 H C 0.700 176.100 175.328 0.119 0.000 1.046 402 H CA 0.862 56.983 56.048 0.122 0.000 1.470 402 H CB 0.789 30.599 29.762 0.079 0.000 1.483 402 H HN 0.541 nan 8.280 nan 0.000 0.548 403 T N 0.128 114.810 114.554 0.213 0.000 2.916 403 T HA 0.270 4.619 4.350 -0.001 0.000 0.292 403 T C -1.682 173.041 174.700 0.038 0.000 1.064 403 T CA -2.076 60.099 62.100 0.125 0.000 1.011 403 T CB 1.614 70.551 68.868 0.115 0.000 1.152 403 T HN 0.233 nan 8.240 nan 0.000 0.510 404 P HA 0.076 nan 4.420 nan 0.000 0.215 404 P C -0.177 177.071 177.300 -0.086 0.000 1.153 404 P CA 0.507 63.549 63.100 -0.096 0.000 0.853 404 P CB 0.061 31.697 31.700 -0.107 0.000 0.788 405 V N 1.352 121.221 119.914 -0.075 0.000 2.357 405 V HA 0.202 4.322 4.120 -0.001 0.000 0.284 405 V C -0.082 175.949 176.094 -0.104 0.000 1.018 405 V CA -0.824 61.419 62.300 -0.096 0.000 0.841 405 V CB 1.287 33.051 31.823 -0.099 0.000 0.991 405 V HN 0.031 nan 8.190 nan 0.000 0.437 406 N N 3.293 121.885 118.700 -0.179 0.000 2.482 406 N HA 0.050 4.790 4.740 -0.001 0.000 0.242 406 N C 1.409 176.700 175.510 -0.365 0.000 1.100 406 N CA 0.189 53.063 53.050 -0.293 0.000 0.946 406 N CB 1.615 39.785 38.487 -0.530 0.000 1.227 406 N HN 0.839 nan 8.380 nan 0.000 0.508 407 S N 2.358 117.960 115.700 -0.163 0.000 2.399 407 S HA -0.113 4.357 4.470 -0.001 0.000 0.231 407 S C 1.856 176.417 174.600 -0.065 0.000 1.022 407 S CA 0.176 58.320 58.200 -0.093 0.000 0.983 407 S CB -0.392 62.800 63.200 -0.012 0.000 0.803 407 S HN 0.793 nan 8.310 nan 0.000 0.480 408 W N 1.273 122.481 121.300 -0.153 0.000 2.342 408 W HA -0.056 4.603 4.660 -0.001 0.000 0.297 408 W C 1.676 178.118 176.519 -0.128 0.000 1.213 408 W CA 0.535 57.758 57.345 -0.203 0.000 1.251 408 W CB -1.016 27.964 29.460 -0.800 0.000 1.136 408 W HN 0.368 nan 8.180 nan 0.000 0.526 409 L N 2.809 123.463 121.223 -0.948 0.000 2.044 409 L HA 0.173 4.513 4.340 -0.001 0.000 0.205 409 L C 2.701 179.379 176.870 -0.320 0.000 1.075 409 L CA 2.769 57.087 54.840 -0.871 0.000 0.747 409 L CB -1.411 39.889 42.059 -1.264 0.000 0.903 409 L HN 0.049 nan 8.230 nan 0.000 0.435 410 G N -0.503 108.126 108.800 -0.284 0.000 2.446 410 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.217 410 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.217 410 G C 1.472 176.370 174.900 -0.004 0.000 1.168 410 G CA 0.849 45.863 45.100 -0.143 0.000 0.771 410 G HN 0.450 nan 8.290 nan 0.000 0.551 411 N N 0.582 119.345 118.700 0.106 0.000 2.188 411 N HA -0.022 4.717 4.740 -0.001 0.000 0.184 411 N C 2.262 177.910 175.510 0.230 0.000 1.018 411 N CA 0.684 53.921 53.050 0.312 0.000 0.858 411 N CB -0.175 38.579 38.487 0.446 0.000 0.989 411 N HN 0.350 nan 8.380 nan 0.000 0.426 412 I N 0.941 121.611 120.570 0.167 0.000 2.286 412 I HA -0.213 3.956 4.170 -0.001 0.000 0.248 412 I C 1.996 178.168 176.117 0.091 0.000 1.115 412 I CA 0.882 62.265 61.300 0.139 0.000 1.392 412 I CB -0.145 38.004 38.000 0.249 0.000 1.065 412 I HN 0.049 nan 8.210 nan 0.000 0.418 413 I N -0.039 120.580 120.570 0.083 0.000 2.252 413 I HA -0.268 3.902 4.170 -0.001 0.000 0.245 413 I C 2.443 178.648 176.117 0.148 0.000 1.102 413 I CA 1.140 62.514 61.300 0.123 0.000 1.385 413 I CB -0.194 37.860 38.000 0.091 0.000 1.064 413 I HN 0.213 nan 8.210 nan 0.000 0.414 414 M N -0.719 118.877 119.600 -0.007 0.000 2.349 414 M HA -0.080 4.400 4.480 -0.001 0.000 0.266 414 M C 0.880 176.905 176.300 -0.459 0.000 1.076 414 M CA 1.587 56.754 55.300 -0.222 0.000 1.126 414 M CB -0.591 31.759 32.600 -0.416 0.000 1.392 414 M HN 0.193 nan 8.290 nan 0.000 0.440 415 Y N -0.686 119.611 120.300 -0.005 0.000 2.716 415 Y HA 0.490 5.039 4.550 -0.001 0.000 0.260 415 Y C 1.762 177.410 175.900 -0.420 0.000 1.141 415 Y CA -0.438 57.536 58.100 -0.210 0.000 1.168 415 Y CB -0.881 37.383 38.460 -0.327 0.000 1.189 415 Y HN 0.139 nan 8.280 nan 0.000 0.549 416 A N 0.889 123.514 122.820 -0.325 0.000 1.986 416 A HA -0.155 4.164 4.320 -0.001 0.000 0.220 416 A C -0.512 176.814 177.584 -0.430 0.000 1.171 416 A CA 1.673 53.503 52.037 -0.345 0.000 0.640 416 A CB -1.267 17.567 19.000 -0.276 0.000 0.811 416 A HN 0.279 nan 8.150 nan 0.000 0.451 417 P HA 0.044 nan 4.420 nan 0.000 0.241 417 P C 0.567 177.649 177.300 -0.362 0.000 1.191 417 P CA 1.051 63.896 63.100 -0.424 0.000 0.771 417 P CB -0.235 31.221 31.700 -0.407 0.000 0.929 418 T N -2.744 111.589 114.554 -0.367 0.000 2.899 418 T HA 0.138 4.487 4.350 -0.001 0.000 0.295 418 T C 1.103 175.419 174.700 -0.640 0.000 1.033 418 T CA -0.653 61.193 62.100 -0.422 0.000 1.084 418 T CB 0.607 69.019 68.868 -0.761 0.000 0.979 418 T HN -0.218 nan 8.240 nan 0.000 0.532 419 L N 1.815 122.560 121.223 -0.798 0.000 2.012 419 L HA 0.005 4.344 4.340 -0.001 0.000 0.210 419 L C 2.430 178.990 176.870 -0.517 0.000 1.073 419 L CA 1.745 56.043 54.840 -0.903 0.000 0.748 419 L CB -1.066 40.386 42.059 -1.012 0.000 0.891 419 L HN 0.930 nan 8.230 nan 0.000 0.431 420 W N -0.906 120.191 121.300 -0.338 0.000 2.388 420 W HA 0.039 4.699 4.660 -0.001 0.000 0.294 420 W C 1.977 178.374 176.519 -0.204 0.000 1.212 420 W CA 0.871 58.060 57.345 -0.260 0.000 1.271 420 W CB -1.410 27.930 29.460 -0.199 0.000 1.126 420 W HN 0.308 nan 8.180 nan 0.000 0.535 421 A N 1.909 124.284 122.820 -0.741 0.000 1.898 421 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 421 A C 2.248 179.686 177.584 -0.243 0.000 1.181 421 A CA 1.703 53.453 52.037 -0.479 0.000 0.620 421 A CB -0.743 17.834 19.000 -0.706 0.000 0.819 421 A HN 0.296 nan 8.150 nan 0.000 0.442 422 R N -0.897 119.379 120.500 -0.374 0.000 2.066 422 R HA 0.030 4.369 4.340 -0.001 0.000 0.232 422 R C 2.242 178.403 176.300 -0.232 0.000 1.131 422 R CA 1.738 57.635 56.100 -0.338 0.000 0.955 422 R CB -0.352 29.564 30.300 -0.640 0.000 0.851 422 R HN 0.504 nan 8.270 nan 0.000 0.432 423 M N -0.264 119.076 119.600 -0.433 0.000 2.288 423 M HA -0.007 4.473 4.480 -0.001 0.000 0.266 423 M C 1.937 178.228 176.300 -0.016 0.000 1.072 423 M CA 1.431 56.612 55.300 -0.197 0.000 1.132 423 M CB 0.115 32.537 32.600 -0.298 0.000 1.386 423 M HN 0.135 nan 8.290 nan 0.000 0.432 424 I N -0.706 119.684 120.570 -0.299 0.000 2.962 424 I HA -0.090 4.079 4.170 -0.001 0.000 0.246 424 I C 2.130 178.062 176.117 -0.308 0.000 1.091 424 I CA 0.362 61.202 61.300 -0.768 0.000 1.469 424 I CB -0.321 37.183 38.000 -0.826 0.000 1.324 424 I HN 0.145 nan 8.210 nan 0.000 0.461 425 L N 0.508 121.739 121.223 0.013 0.000 1.994 425 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 425 L C 2.747 179.898 176.870 0.469 0.000 1.071 425 L CA 1.711 56.748 54.840 0.330 0.000 0.745 425 L CB -0.526 41.782 42.059 0.414 0.000 0.892 425 L HN 0.282 nan 8.230 nan 0.000 0.431 426 M N -0.822 119.034 119.600 0.427 0.000 2.080 426 M HA -0.199 4.280 4.480 -0.001 0.000 0.260 426 M C 2.326 179.135 176.300 0.849 0.000 1.068 426 M CA 2.128 57.799 55.300 0.618 0.000 1.109 426 M CB -0.741 32.020 32.600 0.268 0.000 1.342 426 M HN 0.285 nan 8.290 nan 0.000 0.405 427 T N -1.277 113.738 114.554 0.769 0.000 2.643 427 T HA -0.229 4.120 4.350 -0.001 0.000 0.264 427 T C 1.664 176.643 174.700 0.466 0.000 1.045 427 T CA 1.962 64.469 62.100 0.678 0.000 1.155 427 T CB -0.590 68.712 68.868 0.722 0.000 0.863 427 T HN 0.457 nan 8.240 nan 0.000 0.420 428 H N 0.389 119.625 119.070 0.276 0.000 2.290 428 H HA -0.067 4.488 4.556 -0.001 0.000 0.298 428 H C 1.813 176.973 175.328 -0.279 0.000 1.087 428 H CA 1.764 57.833 56.048 0.035 0.000 1.291 428 H CB -0.518 29.109 29.762 -0.225 0.000 1.369 428 H HN 0.339 nan 8.280 nan 0.000 0.492 429 F N -1.215 118.659 119.950 -0.128 0.000 2.259 429 F HA -0.005 4.522 4.527 -0.001 0.000 0.298 429 F C 2.000 177.574 175.800 -0.377 0.000 1.088 429 F CA 0.558 58.231 58.000 -0.545 0.000 1.358 429 F CB -0.515 37.752 39.000 -1.222 0.000 1.040 429 F HN 0.146 nan 8.300 nan 0.000 0.505 430 F N -0.772 119.243 119.950 0.109 0.000 2.293 430 F HA -0.156 4.370 4.527 -0.001 0.000 0.300 430 F C 2.689 178.509 175.800 0.034 0.000 1.086 430 F CA 1.348 59.441 58.000 0.155 0.000 1.375 430 F CB -0.729 38.470 39.000 0.332 0.000 1.045 430 F HN -0.109 nan 8.300 nan 0.000 0.516 431 S N 0.260 116.015 115.700 0.092 0.000 2.368 431 S HA -0.133 4.336 4.470 -0.001 0.000 0.224 431 S C 2.127 176.673 174.600 -0.090 0.000 1.029 431 S CA 1.200 59.391 58.200 -0.015 0.000 0.988 431 S CB -0.371 62.798 63.200 -0.052 0.000 0.838 431 S HN 0.319 nan 8.310 nan 0.000 0.462 432 I N 1.329 121.777 120.570 -0.204 0.000 2.252 432 I HA -0.153 4.017 4.170 -0.001 0.000 0.245 432 I C 2.189 178.256 176.117 -0.082 0.000 1.102 432 I CA 0.999 62.186 61.300 -0.189 0.000 1.385 432 I CB -0.362 37.457 38.000 -0.302 0.000 1.064 432 I HN 0.303 nan 8.210 nan 0.000 0.414 433 L N 0.211 121.388 121.223 -0.077 0.000 2.079 433 L HA -0.238 4.101 4.340 -0.001 0.000 0.210 433 L C 2.562 179.444 176.870 0.019 0.000 1.081 433 L CA 1.338 56.163 54.840 -0.024 0.000 0.752 433 L CB -0.547 41.463 42.059 -0.082 0.000 0.896 433 L HN 0.290 nan 8.230 nan 0.000 0.433 434 L N -0.170 121.075 121.223 0.035 0.000 1.955 434 L HA -0.233 4.106 4.340 -0.001 0.000 0.213 434 L C 2.890 179.772 176.870 0.020 0.000 1.072 434 L CA 1.509 56.378 54.840 0.048 0.000 0.755 434 L CB -0.735 41.354 42.059 0.050 0.000 0.888 434 L HN 0.231 nan 8.230 nan 0.000 0.432 435 A N -1.099 121.719 122.820 -0.003 0.000 1.986 435 A HA -0.233 4.086 4.320 -0.001 0.000 0.220 435 A C 2.044 179.629 177.584 0.002 0.000 1.171 435 A CA 1.635 53.666 52.037 -0.010 0.000 0.640 435 A CB -0.326 18.655 19.000 -0.031 0.000 0.811 435 A HN 0.517 nan 8.150 nan 0.000 0.451 436 Q N -0.997 118.809 119.800 0.010 0.000 2.282 436 Q HA 0.119 4.459 4.340 -0.001 0.000 0.206 436 Q C -0.475 175.544 176.000 0.032 0.000 0.878 436 Q CA 0.139 55.957 55.803 0.025 0.000 0.944 436 Q CB 0.159 28.922 28.738 0.042 0.000 1.100 436 Q HN 0.771 nan 8.270 nan 0.000 0.509 437 E N 1.087 121.306 120.200 0.032 0.000 2.222 437 E HA -0.240 4.109 4.350 -0.001 0.000 0.189 437 E C -0.298 176.328 176.600 0.045 0.000 1.415 437 E CA 0.269 56.693 56.400 0.038 0.000 0.689 437 E CB -0.704 29.015 29.700 0.031 0.000 1.107 437 E HN 0.421 nan 8.360 nan 0.000 0.350 438 Q N -0.200 119.631 119.800 0.052 0.000 2.084 438 Q HA 0.086 4.425 4.340 -0.001 0.000 0.230 438 Q C 1.140 177.181 176.000 0.068 0.000 0.806 438 Q CA -0.383 55.456 55.803 0.060 0.000 1.083 438 Q CB 0.504 29.284 28.738 0.071 0.000 1.208 438 Q HN 0.226 nan 8.270 nan 0.000 0.462 439 L N 0.977 122.243 121.223 0.071 0.000 2.081 439 L HA -0.225 4.114 4.340 -0.001 0.000 0.212 439 L C 1.409 178.337 176.870 0.096 0.000 1.080 439 L CA 1.995 56.889 54.840 0.090 0.000 0.754 439 L CB -0.213 41.925 42.059 0.132 0.000 0.893 439 L HN 0.252 nan 8.230 nan 0.000 0.433 440 E N -1.037 119.213 120.200 0.082 0.000 2.437 440 E HA 0.032 4.382 4.350 -0.001 0.000 0.189 440 E C 0.532 177.172 176.600 0.066 0.000 1.054 440 E CA 0.022 56.467 56.400 0.076 0.000 0.874 440 E CB -0.285 29.454 29.700 0.064 0.000 1.011 440 E HN 0.196 nan 8.360 nan 0.000 0.474 441 K N 1.900 122.341 120.400 0.068 0.000 2.284 441 K HA 0.437 4.757 4.320 -0.001 0.000 0.287 441 K C -0.258 176.380 176.600 0.063 0.000 1.081 441 K CA -0.439 55.884 56.287 0.061 0.000 0.910 441 K CB 0.454 32.990 32.500 0.060 0.000 1.088 441 K HN 0.127 nan 8.250 nan 0.000 0.478 442 A N 4.937 127.791 122.820 0.057 0.000 2.520 442 A HA 0.243 4.563 4.320 -0.001 0.000 0.235 442 A C -0.436 177.171 177.584 0.039 0.000 1.065 442 A CA 0.135 52.203 52.037 0.052 0.000 0.764 442 A CB 0.108 19.145 19.000 0.061 0.000 1.002 442 A HN 0.785 nan 8.150 nan 0.000 0.502 443 L N 1.551 122.779 121.223 0.008 0.000 2.409 443 L HA 0.371 4.711 4.340 -0.001 0.000 0.262 443 L C -1.060 175.776 176.870 -0.056 0.000 0.992 443 L CA -1.072 53.752 54.840 -0.026 0.000 0.817 443 L CB 2.200 44.216 42.059 -0.072 0.000 1.350 443 L HN 0.578 nan 8.230 nan 0.000 0.411 444 D N 1.626 121.998 120.400 -0.048 0.000 2.308 444 D HA 0.458 5.098 4.640 -0.001 0.000 0.251 444 D C -0.359 175.867 176.300 -0.123 0.000 1.127 444 D CA 0.034 54.008 54.000 -0.043 0.000 0.876 444 D CB 1.561 42.357 40.800 -0.008 0.000 1.176 444 D HN 0.619 nan 8.370 nan 0.000 0.446 445 C N 0.605 119.829 119.300 -0.127 0.000 3.323 445 C HA 0.711 5.170 4.460 -0.001 0.000 0.324 445 C C -1.059 173.858 174.990 -0.122 0.000 1.428 445 C CA -0.831 58.083 59.018 -0.173 0.000 1.368 445 C CB 1.430 29.012 27.740 -0.264 0.000 1.731 445 C HN 0.537 nan 8.230 nan 0.000 0.455 446 Q N 0.363 120.089 119.800 -0.124 0.000 2.377 446 Q HA 0.780 5.119 4.340 -0.001 0.000 0.271 446 Q C -1.415 174.512 176.000 -0.121 0.000 1.077 446 Q CA -0.507 55.242 55.803 -0.091 0.000 0.820 446 Q CB 2.664 31.356 28.738 -0.076 0.000 1.347 446 Q HN 0.726 nan 8.270 nan 0.000 0.444 447 I N 2.285 122.784 120.570 -0.119 0.000 2.478 447 I HA 0.198 4.367 4.170 -0.001 0.000 0.287 447 I C -1.071 175.003 176.117 -0.072 0.000 1.042 447 I CA -0.808 60.335 61.300 -0.261 0.000 1.067 447 I CB 1.190 38.778 38.000 -0.687 0.000 1.233 447 I HN 0.659 nan 8.210 nan 0.000 0.431 448 Y N 5.288 125.583 120.300 -0.008 0.000 3.396 448 Y HA -0.270 4.279 4.550 -0.001 0.000 0.214 448 Y C 1.471 177.294 175.900 -0.128 0.000 1.203 448 Y CA 1.195 59.267 58.100 -0.047 0.000 1.401 448 Y CB -1.931 36.482 38.460 -0.079 0.000 1.409 448 Y HN 0.988 nan 8.280 nan 0.000 0.594 449 G N -2.217 106.626 108.800 0.071 0.000 2.299 449 G HA2 -0.060 3.899 3.960 -0.001 0.000 0.237 449 G HA3 -0.060 3.899 3.960 -0.001 0.000 0.237 449 G C 0.538 175.407 174.900 -0.051 0.000 1.027 449 G CA 0.142 45.247 45.100 0.007 0.000 0.619 449 G HN 1.547 nan 8.290 nan 0.000 0.513 450 A N -0.268 122.498 122.820 -0.090 0.000 2.340 450 A HA 0.612 4.931 4.320 -0.001 0.000 0.268 450 A C 0.710 178.030 177.584 -0.441 0.000 1.100 450 A CA 0.592 52.389 52.037 -0.400 0.000 0.803 450 A CB 0.759 19.329 19.000 -0.717 0.000 1.043 450 A HN 1.507 nan 8.150 nan 0.000 0.488 451 C N 2.104 121.073 119.300 -0.551 0.000 2.350 451 C HA 0.795 5.255 4.460 -0.001 0.000 0.348 451 C C -1.146 173.387 174.990 -0.762 0.000 1.260 451 C CA -0.401 58.385 59.018 -0.386 0.000 1.966 451 C CB -0.894 26.792 27.740 -0.089 0.000 2.380 451 C HN 0.659 nan 8.230 nan 0.000 0.535 452 Y N 2.448 122.513 120.300 -0.392 0.000 2.492 452 Y HA 0.418 4.967 4.550 -0.001 0.000 0.346 452 Y C 0.208 175.961 175.900 -0.245 0.000 0.997 452 Y CA -0.488 57.348 58.100 -0.440 0.000 1.025 452 Y CB 1.728 39.895 38.460 -0.488 0.000 1.263 452 Y HN 0.570 nan 8.280 nan 0.000 0.454 453 S N 4.001 119.684 115.700 -0.028 0.000 2.430 453 S HA 0.687 5.156 4.470 -0.001 0.000 0.289 453 S C -0.849 173.787 174.600 0.061 0.000 1.143 453 S CA -0.255 57.980 58.200 0.058 0.000 1.067 453 S CB -0.460 62.819 63.200 0.131 0.000 0.964 453 S HN 0.552 nan 8.310 nan 0.000 0.485 454 I N 3.995 124.583 120.570 0.030 0.000 2.545 454 I HA 0.361 4.531 4.170 -0.001 0.000 0.292 454 I C -0.212 175.926 176.117 0.035 0.000 1.040 454 I CA -0.674 60.654 61.300 0.047 0.000 1.068 454 I CB 2.185 40.198 38.000 0.023 0.000 1.251 454 I HN 0.582 nan 8.210 nan 0.000 0.424 455 E N 6.912 127.152 120.200 0.065 0.000 2.167 455 E HA 0.184 4.534 4.350 -0.001 0.000 0.284 455 E C -1.875 174.784 176.600 0.098 0.000 1.016 455 E CA -1.577 54.867 56.400 0.073 0.000 0.817 455 E CB 1.200 30.947 29.700 0.078 0.000 1.080 455 E HN 0.318 nan 8.360 nan 0.000 0.397 456 P HA -0.178 nan 4.420 nan 0.000 0.218 456 P C 0.988 178.459 177.300 0.285 0.000 1.146 456 P CA 1.051 64.253 63.100 0.170 0.000 0.813 456 P CB 0.227 31.982 31.700 0.091 0.000 0.778 457 L N -0.927 120.427 121.223 0.218 0.000 2.362 457 L HA -0.114 4.225 4.340 -0.001 0.000 0.219 457 L C 1.409 178.373 176.870 0.156 0.000 1.134 457 L CA 1.135 56.106 54.840 0.219 0.000 0.807 457 L CB -0.581 41.570 42.059 0.154 0.000 0.927 457 L HN -0.031 nan 8.230 nan 0.000 0.447 458 D N -0.326 120.153 120.400 0.132 0.000 2.349 458 D HA -0.013 4.627 4.640 -0.001 0.000 0.224 458 D C 2.255 178.618 176.300 0.105 0.000 1.029 458 D CA 0.332 54.385 54.000 0.087 0.000 0.879 458 D CB 0.309 41.151 40.800 0.069 0.000 0.906 458 D HN 0.296 nan 8.370 nan 0.000 0.528 459 L N 0.994 122.324 121.223 0.178 0.000 2.013 459 L HA -0.176 4.163 4.340 -0.001 0.000 0.212 459 L C -0.447 176.527 176.870 0.172 0.000 1.073 459 L CA 1.629 56.592 54.840 0.206 0.000 0.753 459 L CB -1.481 40.778 42.059 0.334 0.000 0.890 459 L HN 0.057 nan 8.230 nan 0.000 0.432 460 P HA -0.206 nan 4.420 nan 0.000 0.215 460 P C 1.394 178.751 177.300 0.094 0.000 1.157 460 P CA 1.416 64.548 63.100 0.052 0.000 0.868 460 P CB 0.005 31.580 31.700 -0.209 0.000 0.788 461 Q N -0.782 119.013 119.800 -0.008 0.000 2.046 461 Q HA -0.101 4.238 4.340 -0.001 0.000 0.200 461 Q C 2.276 178.269 176.000 -0.012 0.000 0.975 461 Q CA 1.210 56.995 55.803 -0.030 0.000 0.836 461 Q CB -0.774 27.929 28.738 -0.059 0.000 0.896 461 Q HN 0.244 nan 8.270 nan 0.000 0.428 462 I N 0.740 121.306 120.570 -0.007 0.000 2.194 462 I HA -0.307 3.863 4.170 -0.001 0.000 0.246 462 I C 2.247 178.363 176.117 -0.002 0.000 1.093 462 I CA 1.312 62.578 61.300 -0.056 0.000 1.355 462 I CB -0.297 37.712 38.000 0.016 0.000 1.046 462 I HN 0.228 nan 8.210 nan 0.000 0.413 463 I N 0.361 120.997 120.570 0.110 0.000 2.252 463 I HA -0.282 3.888 4.170 -0.001 0.000 0.245 463 I C 2.623 178.759 176.117 0.031 0.000 1.102 463 I CA 1.323 62.703 61.300 0.134 0.000 1.385 463 I CB -0.429 37.683 38.000 0.187 0.000 1.064 463 I HN 0.297 nan 8.210 nan 0.000 0.414 464 E N 1.182 121.438 120.200 0.093 0.000 2.070 464 E HA -0.267 4.083 4.350 -0.001 0.000 0.197 464 E C 2.406 178.987 176.600 -0.031 0.000 1.004 464 E CA 1.235 57.666 56.400 0.051 0.000 0.805 464 E CB 0.093 29.865 29.700 0.120 0.000 0.744 464 E HN 0.245 nan 8.360 nan 0.000 0.451 465 R N 0.126 120.589 120.500 -0.061 0.000 2.083 465 R HA -0.122 4.217 4.340 -0.001 0.000 0.237 465 R C 2.496 178.709 176.300 -0.146 0.000 1.137 465 R CA 1.192 57.224 56.100 -0.114 0.000 0.951 465 R CB -0.659 29.535 30.300 -0.176 0.000 0.851 465 R HN 0.361 nan 8.270 nan 0.000 0.434 466 L N -1.121 119.989 121.223 -0.189 0.000 2.249 466 L HA -0.020 4.320 4.340 -0.001 0.000 0.207 466 L C 1.859 178.436 176.870 -0.489 0.000 1.090 466 L CA 0.850 55.487 54.840 -0.338 0.000 0.802 466 L CB -0.268 41.553 42.059 -0.398 0.000 0.947 466 L HN 0.219 nan 8.230 nan 0.000 0.453 467 H N -0.623 118.366 119.070 -0.135 0.000 2.874 467 H HA 0.332 4.888 4.556 -0.001 0.000 0.264 467 H C 0.925 176.152 175.328 -0.169 0.000 1.007 467 H CA 0.727 56.678 56.048 -0.160 0.000 1.207 467 H CB 0.996 30.634 29.762 -0.205 0.000 1.487 467 H HN 0.270 nan 8.280 nan 0.000 0.505 468 G N 1.007 109.767 108.800 -0.065 0.000 2.746 468 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.685 468 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.685 468 G C 0.662 175.487 174.900 -0.125 0.000 1.350 468 G CA -0.189 44.872 45.100 -0.064 0.000 0.837 468 G HN 0.223 nan 8.290 nan 0.000 0.564 469 L N 0.995 122.207 121.223 -0.018 0.000 2.362 469 L HA -0.054 4.286 4.340 -0.001 0.000 0.219 469 L C 3.098 179.958 176.870 -0.017 0.000 1.134 469 L CA 1.876 56.763 54.840 0.078 0.000 0.807 469 L CB -0.473 41.716 42.059 0.216 0.000 0.927 469 L HN 0.886 nan 8.230 nan 0.000 0.447 470 S N 0.099 115.754 115.700 -0.075 0.000 2.474 470 S HA -0.114 4.355 4.470 -0.001 0.000 0.235 470 S C 2.086 176.576 174.600 -0.183 0.000 0.997 470 S CA 0.695 58.844 58.200 -0.084 0.000 0.949 470 S CB -0.230 62.919 63.200 -0.084 0.000 0.766 470 S HN 0.357 nan 8.310 nan 0.000 0.517 471 A N 0.574 123.176 122.820 -0.365 0.000 2.125 471 A HA 0.200 4.520 4.320 -0.001 0.000 0.219 471 A C 1.271 178.615 177.584 -0.401 0.000 1.156 471 A CA 0.768 52.516 52.037 -0.482 0.000 0.671 471 A CB -0.770 17.841 19.000 -0.649 0.000 0.794 471 A HN 0.612 nan 8.150 nan 0.000 0.459 472 F N -0.259 119.705 119.950 0.024 0.000 2.664 472 F HA 0.177 4.704 4.527 -0.001 0.000 0.303 472 F C 1.586 177.430 175.800 0.074 0.000 1.092 472 F CA 0.328 58.367 58.000 0.064 0.000 1.305 472 F CB 0.043 39.106 39.000 0.105 0.000 1.054 472 F HN 0.227 nan 8.300 nan 0.000 0.565 473 S N -1.753 114.036 115.700 0.149 0.000 2.820 473 S HA 0.301 4.770 4.470 -0.001 0.000 0.265 473 S C 0.077 174.738 174.600 0.102 0.000 1.043 473 S CA -0.351 57.939 58.200 0.150 0.000 1.245 473 S CB -0.485 62.798 63.200 0.138 0.000 1.187 473 S HN 0.056 nan 8.310 nan 0.000 0.673 474 L N 3.236 124.423 121.223 -0.060 0.000 2.506 474 L HA 0.400 4.739 4.340 -0.001 0.000 0.281 474 L C 0.570 177.316 176.870 -0.206 0.000 1.228 474 L CA 0.313 54.985 54.840 -0.280 0.000 0.850 474 L CB -0.083 41.671 42.059 -0.508 0.000 1.110 474 L HN 0.683 nan 8.230 nan 0.000 0.496 475 H N -1.897 116.936 119.070 -0.394 0.000 2.917 475 H HA 0.313 4.868 4.556 -0.001 0.000 0.299 475 H C -0.308 174.872 175.328 -0.247 0.000 1.418 475 H CA -0.729 55.171 56.048 -0.247 0.000 1.138 475 H CB 1.008 30.755 29.762 -0.025 0.000 1.830 475 H HN 0.382 nan 8.280 nan 0.000 0.514 476 S N -0.697 115.064 115.700 0.102 0.000 3.812 476 S HA -0.220 4.249 4.470 -0.001 0.000 0.341 476 S C -0.395 174.224 174.600 0.033 0.000 1.057 476 S CA 0.466 58.739 58.200 0.122 0.000 1.015 476 S CB -2.406 60.878 63.200 0.139 0.000 0.893 476 S HN 0.563 nan 8.310 nan 0.000 0.476 477 Y N 2.130 122.467 120.300 0.062 0.000 2.469 477 Y HA 0.194 4.743 4.550 -0.001 0.000 0.353 477 Y C 1.434 177.386 175.900 0.085 0.000 1.269 477 Y CA 0.774 58.910 58.100 0.059 0.000 1.504 477 Y CB 0.275 38.766 38.460 0.053 0.000 1.369 477 Y HN 0.481 nan 8.280 nan 0.000 0.654 478 S N 0.789 116.639 115.700 0.251 0.000 2.584 478 S HA 0.206 4.675 4.470 -0.001 0.000 0.273 478 S C -2.070 172.616 174.600 0.143 0.000 1.311 478 S CA -1.224 57.070 58.200 0.158 0.000 1.034 478 S CB 1.439 64.708 63.200 0.115 0.000 0.939 478 S HN 0.401 nan 8.310 nan 0.000 0.513 479 P HA -0.056 nan 4.420 nan 0.000 0.217 479 P C 1.659 179.003 177.300 0.074 0.000 1.151 479 P CA 1.732 64.883 63.100 0.085 0.000 0.849 479 P CB -0.360 31.380 31.700 0.067 0.000 0.787 480 G N -0.352 108.489 108.800 0.069 0.000 2.404 480 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.215 480 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.215 480 G C 1.654 176.589 174.900 0.058 0.000 1.174 480 G CA 0.835 45.966 45.100 0.052 0.000 0.780 480 G HN 0.248 nan 8.290 nan 0.000 0.537 481 E N 0.918 121.173 120.200 0.092 0.000 2.015 481 E HA -0.075 4.275 4.350 -0.001 0.000 0.191 481 E C 2.512 179.163 176.600 0.084 0.000 0.991 481 E CA 0.905 57.372 56.400 0.112 0.000 0.802 481 E CB -0.508 29.322 29.700 0.216 0.000 0.759 481 E HN 0.466 nan 8.360 nan 0.000 0.447 482 I N 1.000 121.629 120.570 0.097 0.000 2.145 482 I HA -0.354 3.816 4.170 -0.001 0.000 0.244 482 I C 2.304 178.447 176.117 0.044 0.000 1.075 482 I CA 1.498 62.836 61.300 0.063 0.000 1.332 482 I CB -0.598 37.456 38.000 0.089 0.000 1.033 482 I HN 0.222 nan 8.210 nan 0.000 0.410 483 N N 0.636 119.363 118.700 0.046 0.000 2.166 483 N HA -0.198 4.541 4.740 -0.001 0.000 0.186 483 N C 1.989 177.508 175.510 0.015 0.000 1.019 483 N CA 1.137 54.206 53.050 0.032 0.000 0.856 483 N CB -0.235 38.272 38.487 0.033 0.000 0.993 483 N HN 0.379 nan 8.380 nan 0.000 0.426 484 R N 1.009 121.513 120.500 0.007 0.000 2.075 484 R HA -0.052 4.287 4.340 -0.001 0.000 0.232 484 R C 2.018 178.291 176.300 -0.044 0.000 1.126 484 R CA 0.967 57.054 56.100 -0.021 0.000 0.963 484 R CB -0.096 30.184 30.300 -0.035 0.000 0.858 484 R HN -0.055 nan 8.270 nan 0.000 0.435 485 V N 1.133 121.027 119.914 -0.034 0.000 2.261 485 V HA -0.214 3.905 4.120 -0.001 0.000 0.246 485 V C 2.525 178.609 176.094 -0.017 0.000 1.047 485 V CA 1.944 64.216 62.300 -0.046 0.000 1.015 485 V CB -0.853 30.969 31.823 -0.002 0.000 0.642 485 V HN 0.563 nan 8.190 nan 0.000 0.446 486 A N -0.160 122.666 122.820 0.010 0.000 1.908 486 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 486 A C 2.464 180.059 177.584 0.020 0.000 1.181 486 A CA 2.455 54.508 52.037 0.027 0.000 0.627 486 A CB -0.747 18.274 19.000 0.035 0.000 0.818 486 A HN 0.529 nan 8.150 nan 0.000 0.445 487 S N -1.432 114.274 115.700 0.009 0.000 2.402 487 S HA -0.176 4.294 4.470 -0.001 0.000 0.229 487 S C 1.988 176.589 174.600 0.002 0.000 1.021 487 S CA 1.079 59.284 58.200 0.009 0.000 0.974 487 S CB -0.814 62.388 63.200 0.004 0.000 0.800 487 S HN 0.786 nan 8.310 nan 0.000 0.484 488 C N 2.052 121.338 119.300 -0.022 0.000 2.446 488 C HA 0.080 4.540 4.460 -0.001 0.000 0.277 488 C C 2.409 177.390 174.990 -0.016 0.000 1.275 488 C CA 0.352 59.348 59.018 -0.037 0.000 1.727 488 C CB -1.593 26.088 27.740 -0.099 0.000 2.010 488 C HN 0.563 nan 8.230 nan 0.000 0.486 489 L N 0.409 121.630 121.223 -0.003 0.000 2.079 489 L HA -0.154 4.185 4.340 -0.001 0.000 0.210 489 L C 3.011 179.883 176.870 0.003 0.000 1.081 489 L CA 1.720 56.572 54.840 0.019 0.000 0.752 489 L CB -0.845 41.253 42.059 0.065 0.000 0.896 489 L HN 0.396 nan 8.230 nan 0.000 0.433 490 R N 0.320 120.831 120.500 0.017 0.000 2.066 490 R HA -0.174 4.166 4.340 -0.001 0.000 0.232 490 R C 2.356 178.699 176.300 0.072 0.000 1.131 490 R CA 1.315 57.434 56.100 0.031 0.000 0.955 490 R CB -0.283 30.044 30.300 0.046 0.000 0.851 490 R HN 0.282 nan 8.270 nan 0.000 0.432 491 K N 0.703 121.148 120.400 0.075 0.000 2.074 491 K HA -0.175 4.144 4.320 -0.001 0.000 0.209 491 K C 1.557 178.284 176.600 0.212 0.000 1.048 491 K CA 1.381 57.744 56.287 0.126 0.000 0.926 491 K CB 0.052 32.595 32.500 0.071 0.000 0.713 491 K HN 0.014 nan 8.250 nan 0.000 0.444 492 L N -0.319 120.947 121.223 0.072 0.000 2.477 492 L HA 0.209 4.548 4.340 -0.001 0.000 0.220 492 L C 1.134 177.817 176.870 -0.313 0.000 1.106 492 L CA 1.377 56.228 54.840 0.019 0.000 0.851 492 L CB 0.242 42.312 42.059 0.017 0.000 0.994 492 L HN 0.528 nan 8.230 nan 0.000 0.462 493 G N -0.271 108.199 108.800 -0.551 0.000 2.171 493 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.238 493 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.238 493 G C 0.081 174.819 174.900 -0.269 0.000 1.039 493 G CA 0.139 44.775 45.100 -0.775 0.000 0.759 493 G HN 0.093 nan 8.290 nan 0.000 0.501 494 V N 0.938 120.791 119.914 -0.101 0.000 2.546 494 V HA 0.418 4.538 4.120 -0.001 0.000 0.284 494 V C -1.218 174.945 176.094 0.115 0.000 1.050 494 V CA -1.530 60.807 62.300 0.062 0.000 0.981 494 V CB 1.493 33.390 31.823 0.123 0.000 0.990 494 V HN 0.159 nan 8.190 nan 0.000 0.474 495 P HA 0.071 nan 4.420 nan 0.000 0.265 495 P C -2.439 174.960 177.300 0.166 0.000 1.187 495 P CA -0.584 62.528 63.100 0.021 0.000 0.766 495 P CB -0.169 31.369 31.700 -0.270 0.000 0.820 496 P HA 0.018 nan 4.420 nan 0.000 0.269 496 P C 0.950 178.395 177.300 0.242 0.000 1.215 496 P CA 0.113 63.298 63.100 0.141 0.000 0.780 496 P CB 0.751 32.491 31.700 0.067 0.000 0.898 497 L N 1.740 123.128 121.223 0.276 0.000 2.089 497 L HA -0.252 4.087 4.340 -0.001 0.000 0.213 497 L C 2.856 179.901 176.870 0.292 0.000 1.079 497 L CA 1.917 56.958 54.840 0.335 0.000 0.758 497 L CB -0.856 41.318 42.059 0.192 0.000 0.891 497 L HN 0.499 nan 8.230 nan 0.000 0.433 498 R N -0.252 120.356 120.500 0.181 0.000 2.127 498 R HA -0.130 4.210 4.340 -0.001 0.000 0.238 498 R C 1.955 178.333 176.300 0.129 0.000 1.134 498 R CA 1.596 57.783 56.100 0.146 0.000 0.975 498 R CB -1.088 29.260 30.300 0.080 0.000 0.865 498 R HN 0.228 nan 8.270 nan 0.000 0.447 499 V N 0.396 120.344 119.914 0.058 0.000 2.379 499 V HA -0.160 3.960 4.120 -0.001 0.000 0.245 499 V C 1.964 178.034 176.094 -0.040 0.000 1.044 499 V CA 1.642 63.904 62.300 -0.063 0.000 1.036 499 V CB -0.659 31.015 31.823 -0.249 0.000 0.664 499 V HN 0.344 nan 8.190 nan 0.000 0.453 500 W N 0.254 121.655 121.300 0.167 0.000 2.363 500 W HA -0.115 4.545 4.660 -0.001 0.000 0.296 500 W C 2.722 179.419 176.519 0.296 0.000 1.212 500 W CA 1.521 58.998 57.345 0.220 0.000 1.260 500 W CB -0.262 29.335 29.460 0.228 0.000 1.131 500 W HN 0.060 nan 8.180 nan 0.000 0.530 501 R N -0.287 120.519 120.500 0.510 0.000 2.081 501 R HA -0.232 4.107 4.340 -0.001 0.000 0.235 501 R C 2.098 178.523 176.300 0.208 0.000 1.131 501 R CA 2.103 58.467 56.100 0.440 0.000 0.960 501 R CB -0.712 29.830 30.300 0.404 0.000 0.856 501 R HN 0.227 nan 8.270 nan 0.000 0.436 502 H N 0.364 119.480 119.070 0.077 0.000 2.321 502 H HA -0.047 4.509 4.556 -0.001 0.000 0.300 502 H C 2.040 177.345 175.328 -0.037 0.000 1.087 502 H CA 2.195 58.239 56.048 -0.006 0.000 1.319 502 H CB 0.101 29.844 29.762 -0.032 0.000 1.379 502 H HN 0.143 nan 8.280 nan 0.000 0.501 503 R N -0.271 120.233 120.500 0.006 0.000 2.073 503 R HA -0.063 4.277 4.340 -0.001 0.000 0.234 503 R C 2.587 178.819 176.300 -0.113 0.000 1.134 503 R CA 1.026 57.081 56.100 -0.074 0.000 0.952 503 R CB -0.404 29.892 30.300 -0.006 0.000 0.850 503 R HN 0.392 nan 8.270 nan 0.000 0.433 504 A N 1.469 124.275 122.820 -0.024 0.000 1.948 504 A HA -0.222 4.097 4.320 -0.001 0.000 0.220 504 A C 2.083 179.388 177.584 -0.465 0.000 1.177 504 A CA 1.463 53.339 52.037 -0.269 0.000 0.636 504 A CB -0.446 18.460 19.000 -0.158 0.000 0.815 504 A HN 0.264 nan 8.150 nan 0.000 0.449 505 R N -0.682 119.618 120.500 -0.333 0.000 2.091 505 R HA -0.127 4.212 4.340 -0.001 0.000 0.238 505 R C 2.652 178.769 176.300 -0.305 0.000 1.136 505 R CA 1.582 57.495 56.100 -0.311 0.000 0.959 505 R CB -0.453 29.701 30.300 -0.243 0.000 0.856 505 R HN 0.586 nan 8.270 nan 0.000 0.437 506 S N 0.283 115.799 115.700 -0.307 0.000 2.357 506 S HA -0.086 4.384 4.470 -0.001 0.000 0.221 506 S C 2.083 176.531 174.600 -0.252 0.000 1.031 506 S CA 1.178 59.225 58.200 -0.254 0.000 0.982 506 S CB -0.125 62.934 63.200 -0.235 0.000 0.853 506 S HN 0.116 nan 8.310 nan 0.000 0.458 507 V N 2.860 122.581 119.914 -0.321 0.000 2.332 507 V HA -0.184 3.936 4.120 -0.001 0.000 0.248 507 V C 2.739 178.593 176.094 -0.401 0.000 1.055 507 V CA 2.338 64.428 62.300 -0.350 0.000 1.038 507 V CB -0.959 30.579 31.823 -0.474 0.000 0.651 507 V HN 0.534 nan 8.190 nan 0.000 0.450 508 R N 0.552 120.721 120.500 -0.552 0.000 2.073 508 R HA -0.177 4.163 4.340 -0.001 0.000 0.234 508 R C 2.319 178.512 176.300 -0.178 0.000 1.134 508 R CA 1.837 57.728 56.100 -0.348 0.000 0.952 508 R CB -0.540 29.568 30.300 -0.320 0.000 0.850 508 R HN 0.454 nan 8.270 nan 0.000 0.433 509 A N 0.915 123.627 122.820 -0.179 0.000 1.940 509 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 509 A C 2.219 179.751 177.584 -0.086 0.000 1.176 509 A CA 1.634 53.600 52.037 -0.118 0.000 0.631 509 A CB -0.432 18.496 19.000 -0.120 0.000 0.814 509 A HN 0.358 nan 8.150 nan 0.000 0.446 510 R N -0.527 119.916 120.500 -0.096 0.000 2.073 510 R HA 0.001 4.340 4.340 -0.001 0.000 0.234 510 R C 2.089 178.379 176.300 -0.017 0.000 1.134 510 R CA 1.469 57.537 56.100 -0.054 0.000 0.952 510 R CB -0.566 29.702 30.300 -0.054 0.000 0.850 510 R HN 0.543 nan 8.270 nan 0.000 0.433 511 L N 0.245 121.463 121.223 -0.009 0.000 2.012 511 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 511 L C 2.244 179.130 176.870 0.028 0.000 1.073 511 L CA 1.290 56.157 54.840 0.044 0.000 0.748 511 L CB -0.520 41.583 42.059 0.073 0.000 0.891 511 L HN 0.225 nan 8.230 nan 0.000 0.431 512 L N -0.950 120.273 121.223 -0.000 0.000 2.081 512 L HA -0.250 4.090 4.340 -0.001 0.000 0.212 512 L C 2.621 179.490 176.870 -0.001 0.000 1.080 512 L CA 1.170 56.008 54.840 -0.004 0.000 0.754 512 L CB -0.565 41.478 42.059 -0.027 0.000 0.893 512 L HN 0.236 nan 8.230 nan 0.000 0.433 513 S N -0.996 114.700 115.700 -0.007 0.000 2.447 513 S HA -0.130 4.339 4.470 -0.001 0.000 0.233 513 S C 1.898 176.503 174.600 0.008 0.000 1.006 513 S CA 0.798 58.995 58.200 -0.005 0.000 0.957 513 S CB -0.047 63.146 63.200 -0.012 0.000 0.773 513 S HN 0.435 nan 8.310 nan 0.000 0.507 514 Q N 0.386 120.198 119.800 0.020 0.000 2.245 514 Q HA 0.186 4.525 4.340 -0.001 0.000 0.201 514 Q C 1.425 177.443 176.000 0.030 0.000 0.955 514 Q CA 0.669 56.491 55.803 0.031 0.000 0.870 514 Q CB -0.574 28.194 28.738 0.050 0.000 0.945 514 Q HN 0.533 nan 8.270 nan 0.000 0.461 515 G N -0.232 108.585 108.800 0.028 0.000 2.796 515 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.226 515 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.226 515 G C 0.462 175.383 174.900 0.035 0.000 1.381 515 G CA 0.039 45.155 45.100 0.027 0.000 0.867 515 G HN 0.718 nan 8.290 nan 0.000 0.552 516 G N -0.647 108.171 108.800 0.030 0.000 2.582 516 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.288 516 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.288 516 G C 1.206 176.129 174.900 0.038 0.000 1.247 516 G CA 1.565 46.684 45.100 0.032 0.000 0.972 516 G HN 1.649 nan 8.290 nan 0.000 0.557 517 R N 0.239 120.765 120.500 0.043 0.000 2.091 517 R HA 0.073 4.412 4.340 -0.001 0.000 0.238 517 R C 3.219 179.565 176.300 0.076 0.000 1.136 517 R CA 2.217 58.347 56.100 0.050 0.000 0.959 517 R CB -0.631 29.706 30.300 0.061 0.000 0.856 517 R HN 0.757 nan 8.270 nan 0.000 0.437 518 A N 1.405 124.283 122.820 0.096 0.000 1.933 518 A HA -0.103 4.216 4.320 -0.001 0.000 0.218 518 A C 2.391 180.030 177.584 0.092 0.000 1.175 518 A CA 1.661 53.775 52.037 0.128 0.000 0.628 518 A CB -0.613 18.463 19.000 0.126 0.000 0.814 518 A HN 0.413 nan 8.150 nan 0.000 0.444 519 A N -1.023 121.836 122.820 0.064 0.000 1.930 519 A HA -0.037 4.283 4.320 -0.001 0.000 0.217 519 A C 2.276 179.895 177.584 0.058 0.000 1.175 519 A CA 2.125 54.191 52.037 0.049 0.000 0.627 519 A CB -1.151 17.870 19.000 0.037 0.000 0.815 519 A HN 0.426 nan 8.150 nan 0.000 0.443 520 T N -0.602 113.988 114.554 0.060 0.000 2.746 520 T HA -0.199 4.150 4.350 -0.001 0.000 0.267 520 T C 1.912 176.656 174.700 0.072 0.000 1.039 520 T CA 1.584 63.731 62.100 0.080 0.000 1.142 520 T CB -0.732 68.123 68.868 -0.023 0.000 0.866 520 T HN 0.570 nan 8.240 nan 0.000 0.444 521 C N 1.410 120.720 119.300 0.017 0.000 2.413 521 C HA 0.002 4.461 4.460 -0.001 0.000 0.276 521 C C 3.138 178.109 174.990 -0.030 0.000 1.236 521 C CA 0.589 59.569 59.018 -0.064 0.000 1.735 521 C CB -1.569 26.131 27.740 -0.065 0.000 2.031 521 C HN 0.737 nan 8.230 nan 0.000 0.474 522 G N 0.069 108.903 108.800 0.057 0.000 2.440 522 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.218 522 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.218 522 G C 1.625 176.564 174.900 0.066 0.000 1.154 522 G CA 1.279 46.451 45.100 0.119 0.000 0.767 522 G HN 0.655 nan 8.290 nan 0.000 0.552 523 K N -0.878 119.531 120.400 0.015 0.000 2.001 523 K HA -0.084 4.236 4.320 -0.001 0.000 0.208 523 K C 2.270 178.730 176.600 -0.232 0.000 1.048 523 K CA 1.243 57.478 56.287 -0.086 0.000 0.932 523 K CB -0.282 32.182 32.500 -0.060 0.000 0.715 523 K HN 0.381 nan 8.250 nan 0.000 0.437 524 Y N 0.887 120.992 120.300 -0.324 0.000 2.176 524 Y HA -0.025 4.525 4.550 -0.001 0.000 0.291 524 Y C 2.064 177.626 175.900 -0.564 0.000 1.122 524 Y CA 0.896 58.614 58.100 -0.637 0.000 1.128 524 Y CB -0.258 37.528 38.460 -1.122 0.000 1.005 524 Y HN -0.038 nan 8.280 nan 0.000 0.509 525 L N -1.721 119.309 121.223 -0.321 0.000 2.131 525 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 525 L C 0.758 177.352 176.870 -0.460 0.000 1.092 525 L CA 1.385 55.995 54.840 -0.384 0.000 0.759 525 L CB -0.395 41.230 42.059 -0.723 0.000 0.903 525 L HN 0.182 nan 8.230 nan 0.000 0.435 526 F N -1.626 118.275 119.950 -0.081 0.000 2.735 526 F HA 0.177 4.703 4.527 -0.001 0.000 0.304 526 F C 1.587 177.079 175.800 -0.512 0.000 1.119 526 F CA -0.447 57.303 58.000 -0.417 0.000 1.280 526 F CB -0.502 38.254 39.000 -0.407 0.000 0.994 526 F HN -0.075 nan 8.300 nan 0.000 0.520 527 N N 1.217 119.846 118.700 -0.118 0.000 2.272 527 N HA -0.205 4.534 4.740 -0.001 0.000 0.185 527 N C 1.954 177.435 175.510 -0.047 0.000 1.014 527 N CA 1.744 54.736 53.050 -0.096 0.000 0.870 527 N CB -0.199 38.245 38.487 -0.072 0.000 0.975 527 N HN 0.522 nan 8.380 nan 0.000 0.433 528 W N -0.524 120.823 121.300 0.077 0.000 2.525 528 W HA 0.177 4.836 4.660 -0.001 0.000 0.259 528 W C 1.104 177.685 176.519 0.103 0.000 1.253 528 W CA 0.587 57.987 57.345 0.092 0.000 1.262 528 W CB -0.931 28.599 29.460 0.116 0.000 1.122 528 W HN 0.078 nan 8.180 nan 0.000 0.607 529 A N 1.448 123.888 122.820 -0.632 0.000 2.251 529 A HA 0.288 4.607 4.320 -0.001 0.000 0.209 529 A C 0.714 178.163 177.584 -0.225 0.000 1.187 529 A CA 0.824 52.514 52.037 -0.578 0.000 0.823 529 A CB -0.804 17.608 19.000 -0.981 0.000 0.846 529 A HN 0.150 nan 8.150 nan 0.000 0.486 530 V N -2.822 117.009 119.914 -0.139 0.000 2.680 530 V HA 0.427 4.547 4.120 -0.001 0.000 0.309 530 V C 0.733 176.808 176.094 -0.032 0.000 1.052 530 V CA -0.594 61.656 62.300 -0.084 0.000 0.908 530 V CB 1.581 33.346 31.823 -0.098 0.000 1.001 530 V HN 0.460 nan 8.190 nan 0.000 0.431 531 K N 1.828 122.215 120.400 -0.021 0.000 2.148 531 K HA 0.010 4.329 4.320 -0.001 0.000 0.204 531 K C 0.539 177.127 176.600 -0.019 0.000 1.050 531 K CA 1.429 57.711 56.287 -0.009 0.000 0.942 531 K CB -0.379 32.118 32.500 -0.005 0.000 0.724 531 K HN 0.677 nan 8.250 nan 0.000 0.446 532 T N 2.306 116.843 114.554 -0.029 0.000 3.262 532 T HA 0.260 4.609 4.350 -0.001 0.000 0.374 532 T C -0.672 174.004 174.700 -0.040 0.000 1.504 532 T CA -0.774 61.307 62.100 -0.032 0.000 1.158 532 T CB 0.828 69.677 68.868 -0.032 0.000 1.157 532 T HN 0.009 nan 8.240 nan 0.000 0.644 533 K N 1.786 122.165 120.400 -0.036 0.000 2.402 533 K HA 0.295 4.614 4.320 -0.001 0.000 0.265 533 K C 0.144 176.709 176.600 -0.058 0.000 0.978 533 K CA -0.063 56.199 56.287 -0.043 0.000 0.913 533 K CB 0.147 32.633 32.500 -0.023 0.000 0.954 533 K HN 0.260 nan 8.250 nan 0.000 0.511 534 L N 1.418 122.590 121.223 -0.086 0.000 2.397 534 L HA 0.311 4.650 4.340 -0.001 0.000 0.266 534 L C 1.610 178.411 176.870 -0.114 0.000 1.040 534 L CA -0.210 54.566 54.840 -0.106 0.000 0.800 534 L CB 0.666 42.637 42.059 -0.147 0.000 1.324 534 L HN 0.706 nan 8.230 nan 0.000 0.469 535 K N 0.320 120.652 120.400 -0.114 0.000 1.965 535 K HA -0.098 4.221 4.320 -0.001 0.000 0.218 535 K C -0.449 176.076 176.600 -0.125 0.000 1.048 535 K CA 0.717 56.950 56.287 -0.091 0.000 0.960 535 K CB -0.442 32.021 32.500 -0.061 0.000 0.732 535 K HN 0.169 nan 8.250 nan 0.000 0.444 536 L N 2.032 123.110 121.223 -0.241 0.000 2.805 536 L HA -0.131 4.209 4.340 -0.001 0.000 0.688 536 L C -0.495 176.403 176.870 0.047 0.000 1.050 536 L CA 1.305 55.942 54.840 -0.338 0.000 1.362 536 L CB -1.987 39.879 42.059 -0.321 0.000 1.968 536 L HN 0.876 nan 8.230 nan 0.000 0.923 537 T N 0.651 115.322 114.554 0.195 0.000 2.942 537 T HA 0.895 5.244 4.350 -0.001 0.000 0.289 537 T C -2.604 172.244 174.700 0.247 0.000 1.044 537 T CA -2.374 59.839 62.100 0.189 0.000 1.023 537 T CB 2.128 71.066 68.868 0.117 0.000 1.123 537 T HN 0.179 nan 8.240 nan 0.000 0.512 538 P HA 0.168 nan 4.420 nan 0.000 0.261 538 P C -0.559 176.769 177.300 0.045 0.000 1.183 538 P CA 0.067 63.226 63.100 0.098 0.000 0.761 538 P CB -0.016 31.721 31.700 0.062 0.000 0.785 539 I N 6.991 127.544 120.570 -0.029 0.000 2.379 539 I HA 0.069 4.239 4.170 -0.001 0.000 0.290 539 I C -1.140 174.945 176.117 -0.053 0.000 1.063 539 I CA -1.702 59.539 61.300 -0.098 0.000 1.351 539 I CB 0.995 38.857 38.000 -0.230 0.000 1.410 539 I HN 0.341 nan 8.210 nan 0.000 0.505 540 P HA -0.271 nan 4.420 nan 0.000 0.216 540 P C 1.345 178.626 177.300 -0.033 0.000 1.154 540 P CA 1.340 64.426 63.100 -0.023 0.000 0.865 540 P CB 0.237 31.929 31.700 -0.014 0.000 0.789 541 A N -0.634 122.160 122.820 -0.043 0.000 2.119 541 A HA 0.050 4.370 4.320 -0.001 0.000 0.217 541 A C 2.226 179.777 177.584 -0.055 0.000 1.153 541 A CA 1.415 53.426 52.037 -0.043 0.000 0.692 541 A CB -1.323 17.652 19.000 -0.041 0.000 0.799 541 A HN 0.194 nan 8.150 nan 0.000 0.458 542 A N 0.632 123.415 122.820 -0.062 0.000 1.933 542 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 542 A C 2.442 179.982 177.584 -0.074 0.000 1.175 542 A CA 2.150 54.145 52.037 -0.070 0.000 0.628 542 A CB -0.866 18.099 19.000 -0.058 0.000 0.814 542 A HN 0.988 nan 8.150 nan 0.000 0.444 543 S N -0.731 114.935 115.700 -0.056 0.000 2.481 543 S HA -0.152 4.318 4.470 -0.001 0.000 0.231 543 S C 1.786 176.351 174.600 -0.057 0.000 0.996 543 S CA 1.104 59.272 58.200 -0.054 0.000 0.942 543 S CB -0.365 62.814 63.200 -0.036 0.000 0.768 543 S HN 0.699 nan 8.310 nan 0.000 0.520 544 Q N 0.583 120.351 119.800 -0.054 0.000 2.123 544 Q HA 0.210 4.549 4.340 -0.001 0.000 0.199 544 Q C 0.228 176.189 176.000 -0.065 0.000 0.966 544 Q CA 0.333 56.107 55.803 -0.049 0.000 0.845 544 Q CB -0.343 28.373 28.738 -0.037 0.000 0.907 544 Q HN 0.538 nan 8.270 nan 0.000 0.439 545 L N 2.523 123.692 121.223 -0.090 0.000 2.578 545 L HA -0.055 4.284 4.340 -0.001 0.000 0.279 545 L C 0.441 177.218 176.870 -0.154 0.000 1.227 545 L CA 0.013 54.777 54.840 -0.127 0.000 0.900 545 L CB 0.112 42.060 42.059 -0.186 0.000 1.144 545 L HN 0.107 nan 8.230 nan 0.000 0.496 546 D N 4.711 125.034 120.400 -0.130 0.000 2.522 546 D HA 0.103 4.743 4.640 -0.001 0.000 0.218 546 D C 0.205 176.388 176.300 -0.195 0.000 1.149 546 D CA -0.448 53.481 54.000 -0.118 0.000 0.981 546 D CB 0.788 41.558 40.800 -0.050 0.000 1.041 546 D HN 0.298 nan 8.370 nan 0.000 0.518 547 L N 2.702 123.720 121.223 -0.342 0.000 2.715 547 L HA 0.056 4.395 4.340 -0.001 0.000 0.238 547 L C 0.767 177.510 176.870 -0.211 0.000 1.212 547 L CA 0.028 54.494 54.840 -0.623 0.000 1.017 547 L CB -0.676 40.900 42.059 -0.806 0.000 1.269 547 L HN 0.202 nan 8.230 nan 0.000 0.452 548 S N -1.277 114.392 115.700 -0.051 0.000 2.430 548 S HA 0.663 5.132 4.470 -0.001 0.000 0.289 548 S C 1.094 175.762 174.600 0.115 0.000 1.143 548 S CA 0.001 58.225 58.200 0.040 0.000 1.067 548 S CB 1.304 64.511 63.200 0.012 0.000 0.964 548 S HN 0.491 nan 8.310 nan 0.000 0.485 549 G N 2.617 111.524 108.800 0.179 0.000 2.284 549 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.201 549 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.201 549 G C 0.512 175.621 174.900 0.348 0.000 0.998 549 G CA -0.074 45.134 45.100 0.180 0.000 0.651 549 G HN 0.606 nan 8.290 nan 0.000 0.489 550 W N 0.673 121.972 121.300 -0.002 0.000 2.353 550 W HA 0.364 5.023 4.660 -0.001 0.000 0.319 550 W C 1.230 177.453 176.519 -0.494 0.000 1.207 550 W CA 1.566 58.737 57.345 -0.289 0.000 1.291 550 W CB -0.461 28.680 29.460 -0.531 0.000 1.159 550 W HN 0.164 nan 8.180 nan 0.000 0.478 551 F N -0.404 119.764 119.950 0.365 0.000 2.438 551 F HA 0.303 4.829 4.527 -0.001 0.000 0.315 551 F C 0.599 176.561 175.800 0.271 0.000 1.258 551 F CA -0.403 57.793 58.000 0.326 0.000 1.180 551 F CB 0.010 39.156 39.000 0.242 0.000 1.412 551 F HN -0.374 nan 8.300 nan 0.000 0.544 552 V N -0.002 120.129 119.914 0.362 0.000 2.996 552 V HA 0.588 4.708 4.120 -0.001 0.000 0.235 552 V C 0.836 177.073 176.094 0.238 0.000 1.205 552 V CA 0.639 63.096 62.300 0.263 0.000 1.225 552 V CB 0.517 32.477 31.823 0.230 0.000 0.995 552 V HN 0.415 nan 8.190 nan 0.000 0.484 553 A N -0.711 122.212 122.820 0.171 0.000 2.602 553 A HA 0.792 5.111 4.320 -0.001 0.000 0.290 553 A C -0.306 176.928 177.584 -0.584 0.000 1.114 553 A CA 0.073 52.046 52.037 -0.108 0.000 0.683 553 A CB 1.111 19.895 19.000 -0.360 0.000 1.281 553 A HN 0.392 nan 8.150 nan 0.000 0.416 554 G N -1.273 106.897 108.800 -1.051 0.000 2.367 554 G HA2 0.543 4.503 3.960 -0.001 0.000 0.314 554 G HA3 0.543 4.503 3.960 -0.001 0.000 0.314 554 G C -0.914 173.345 174.900 -1.068 0.000 1.130 554 G CA -0.084 44.050 45.100 -1.611 0.000 0.864 554 G HN 0.582 nan 8.290 nan 0.000 0.486 555 Y N 1.031 121.103 120.300 -0.380 0.000 2.738 555 Y HA 0.300 4.850 4.550 -0.001 0.000 0.249 555 Y C 1.394 177.205 175.900 -0.150 0.000 1.153 555 Y CA -0.751 57.230 58.100 -0.199 0.000 1.165 555 Y CB 0.610 38.978 38.460 -0.154 0.000 1.235 555 Y HN 0.504 nan 8.280 nan 0.000 0.559 556 S N 0.872 116.532 115.700 -0.067 0.000 2.596 556 S HA 0.287 4.756 4.470 -0.001 0.000 0.298 556 S C 1.461 176.076 174.600 0.024 0.000 1.255 556 S CA 1.448 59.642 58.200 -0.011 0.000 1.083 556 S CB -0.069 63.130 63.200 -0.001 0.000 0.837 556 S HN 1.042 nan 8.310 nan 0.000 0.499 557 G N 3.556 112.372 108.800 0.027 0.000 2.184 557 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.264 557 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.264 557 G C 0.784 175.717 174.900 0.055 0.000 0.975 557 G CA 0.399 45.524 45.100 0.042 0.000 0.642 557 G HN 1.360 nan 8.290 nan 0.000 0.536 558 G N -0.185 108.651 108.800 0.059 0.000 3.088 558 G HA2 0.387 4.346 3.960 -0.001 0.000 0.212 558 G HA3 0.387 4.346 3.960 -0.001 0.000 0.212 558 G C 0.511 175.442 174.900 0.052 0.000 1.173 558 G CA 1.116 46.271 45.100 0.090 0.000 0.779 558 G HN 1.100 nan 8.290 nan 0.000 0.540 559 D N -0.463 119.935 120.400 -0.004 0.000 2.708 559 D HA -0.169 4.470 4.640 -0.001 0.000 0.236 559 D C 0.055 176.308 176.300 -0.079 0.000 1.146 559 D CA 0.391 54.366 54.000 -0.041 0.000 0.662 559 D CB -1.104 39.691 40.800 -0.007 0.000 1.059 559 D HN 0.125 nan 8.370 nan 0.000 0.428 560 I N 1.063 121.544 120.570 -0.148 0.000 2.392 560 I HA 0.354 4.523 4.170 -0.001 0.000 0.295 560 I C 0.020 175.917 176.117 -0.366 0.000 0.985 560 I CA -0.688 60.427 61.300 -0.308 0.000 1.221 560 I CB 1.124 38.780 38.000 -0.575 0.000 1.366 560 I HN 0.084 nan 8.210 nan 0.000 0.467 561 Y N 5.712 125.724 120.300 -0.479 0.000 2.373 561 Y HA 0.418 4.967 4.550 -0.001 0.000 0.336 561 Y C -0.804 174.862 175.900 -0.390 0.000 0.979 561 Y CA -0.587 57.242 58.100 -0.451 0.000 1.080 561 Y CB 1.230 39.534 38.460 -0.259 0.000 1.190 561 Y HN 0.546 nan 8.280 nan 0.000 0.446 562 H N 4.366 122.818 119.070 -1.029 0.000 2.691 562 H HA 0.327 4.883 4.556 -0.001 0.000 0.281 562 H C 0.155 175.015 175.328 -0.779 0.000 1.121 562 H CA -0.780 54.813 56.048 -0.759 0.000 1.254 562 H CB 0.965 30.265 29.762 -0.770 0.000 1.390 562 H HN 0.782 nan 8.280 nan 0.000 0.491 563 S N 0.000 115.445 115.700 -0.425 0.000 2.498 563 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 563 S CA 0.000 58.068 58.200 -0.221 0.000 1.107 563 S CB 0.000 63.271 63.200 0.119 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517