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 2akm_1_A DATA FIRST_RESID 1 DATA SEQUENCE SIEKIWAREI LDSRGNPTVE VDLYTAKGLF RAAVPSGAST GIYEALELRD DATA SEQUENCE GDKQRYLGKG VLKAVDHINS TIAPALISSG LSVVEQEKLD NLMLELDGTE DATA SEQUENCE NKSKFGANAI LGVSLAVCKA GAAERELPLY RHIAQLAGNS DLILPVPAFN DATA SEQUENCE VINGGSHAGN KLAMQEFMIL PVGAESFRDA MRLGAEVYHT LKGVIKDKYG DATA SEQUENCE KDATNVGDEG GFAPNILENS EALELVKEAI DKAGYTEKIV IGMDVAASEF DATA SEQUENCE YRDGKYDLDF KSPTDPSRYI TGDQLGALYQ DFVRDYPVVS IEDPFDQDDW DATA SEQUENCE AAWSKFTANV GIQIVGDDLT VTNPKRIERA VEEKACNCLL LKVNQIGSVT DATA SEQUENCE EAIQACKLAQ ENGWGVMVSH RSGETEDTFI ADLVVGLCTG QIKTGAPCRS DATA SEQUENCE ERLAKYNQLM RIEEELGDEA RFAGHNFRNP SVL 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 0.000 174.627 174.600 0.046 0.000 1.055 1 S CA 0.000 58.216 58.200 0.027 0.000 1.107 1 S CB 0.000 63.216 63.200 0.027 0.000 0.593 2 I N 1.987 122.588 120.570 0.051 0.000 2.395 2 I HA 0.322 4.492 4.170 -0.000 0.000 0.289 2 I C 1.377 177.546 176.117 0.086 0.000 1.023 2 I CA -0.299 61.048 61.300 0.079 0.000 1.350 2 I CB 1.029 39.072 38.000 0.072 0.000 1.409 2 I HN 0.843 nan 8.210 nan 0.000 0.507 3 E N 4.264 124.536 120.200 0.121 0.000 2.132 3 E HA 0.114 4.464 4.350 -0.000 0.000 0.193 3 E C 0.369 177.018 176.600 0.083 0.000 0.951 3 E CA 0.533 56.991 56.400 0.097 0.000 0.843 3 E CB 0.645 30.413 29.700 0.115 0.000 0.807 3 E HN 0.418 nan 8.360 nan 0.000 0.467 4 K N 0.518 121.006 120.400 0.146 0.000 2.557 4 K HA 0.385 4.705 4.320 -0.000 0.000 0.261 4 K C -1.904 174.860 176.600 0.274 0.000 0.932 4 K CA -0.363 55.998 56.287 0.123 0.000 0.829 4 K CB 1.539 33.999 32.500 -0.066 0.000 1.358 4 K HN -0.073 nan 8.250 nan 0.000 0.430 5 I N 3.186 123.899 120.570 0.238 0.000 2.498 5 I HA 0.457 4.627 4.170 -0.000 0.000 0.290 5 I C -1.187 175.136 176.117 0.344 0.000 1.032 5 I CA -0.665 60.792 61.300 0.263 0.000 1.073 5 I CB 1.728 39.811 38.000 0.138 0.000 1.251 5 I HN 0.575 nan 8.210 nan 0.000 0.426 6 W N 7.160 128.536 121.300 0.126 0.000 2.968 6 W HA 0.725 5.385 4.660 -0.000 0.000 0.337 6 W C -1.488 175.067 176.519 0.061 0.000 1.060 6 W CA -0.560 56.835 57.345 0.083 0.000 1.240 6 W CB 1.943 31.467 29.460 0.106 0.000 1.370 6 W HN 0.541 nan 8.180 nan 0.000 0.459 7 A N 5.936 128.299 122.820 -0.762 0.000 2.311 7 A HA 0.943 5.263 4.320 -0.000 0.000 0.334 7 A C -0.698 176.446 177.584 -0.734 0.000 1.139 7 A CA -0.705 50.995 52.037 -0.560 0.000 0.830 7 A CB 1.647 20.417 19.000 -0.384 0.000 1.234 7 A HN 0.764 nan 8.150 nan 0.000 0.483 8 R N 0.079 120.376 120.500 -0.338 0.000 2.766 8 R HA 0.639 4.979 4.340 -0.000 0.000 0.270 8 R C -1.246 174.980 176.300 -0.124 0.000 1.035 8 R CA -0.791 55.191 56.100 -0.197 0.000 0.911 8 R CB 1.135 31.420 30.300 -0.026 0.000 1.243 8 R HN 0.585 nan 8.270 nan 0.000 0.460 9 E N 1.621 121.774 120.200 -0.077 0.000 2.109 9 E HA 0.373 4.723 4.350 -0.000 0.000 0.278 9 E C -0.560 176.003 176.600 -0.061 0.000 0.954 9 E CA -0.776 55.574 56.400 -0.084 0.000 0.779 9 E CB 1.038 30.688 29.700 -0.083 0.000 1.093 9 E HN 0.464 nan 8.360 nan 0.000 0.401 10 I N 0.629 121.154 120.570 -0.073 0.000 3.170 10 I HA 0.516 4.686 4.170 -0.000 0.000 0.312 10 I C -1.024 175.043 176.117 -0.083 0.000 1.085 10 I CA -1.274 59.997 61.300 -0.049 0.000 0.999 10 I CB 1.441 39.426 38.000 -0.026 0.000 1.233 10 I HN 0.304 nan 8.210 nan 0.000 0.467 11 L N 2.506 123.698 121.223 -0.052 0.000 2.295 11 L HA 0.395 4.735 4.340 -0.000 0.000 0.285 11 L C -0.504 176.344 176.870 -0.037 0.000 1.035 11 L CA -0.793 54.012 54.840 -0.059 0.000 0.806 11 L CB 1.298 43.350 42.059 -0.011 0.000 1.214 11 L HN 0.737 nan 8.230 nan 0.000 0.426 12 D N 0.824 121.196 120.400 -0.047 0.000 2.414 12 D HA -0.008 4.632 4.640 -0.000 0.000 0.259 12 D C 1.123 177.412 176.300 -0.017 0.000 1.269 12 D CA -0.311 53.670 54.000 -0.032 0.000 1.028 12 D CB 0.620 41.394 40.800 -0.043 0.000 1.093 12 D HN 0.483 nan 8.370 nan 0.000 0.545 13 S N -1.202 114.488 115.700 -0.016 0.000 2.537 13 S HA -0.130 4.340 4.470 -0.000 0.000 0.240 13 S C 1.398 175.994 174.600 -0.007 0.000 0.981 13 S CA 0.430 58.625 58.200 -0.008 0.000 0.948 13 S CB -0.378 62.814 63.200 -0.012 0.000 0.759 13 S HN 0.506 nan 8.310 nan 0.000 0.531 14 R N 0.066 120.560 120.500 -0.010 0.000 2.397 14 R HA 0.271 4.611 4.340 -0.000 0.000 0.241 14 R C 1.351 177.663 176.300 0.020 0.000 0.914 14 R CA 0.469 56.569 56.100 0.001 0.000 1.071 14 R CB 0.348 30.643 30.300 -0.007 0.000 1.116 14 R HN 0.570 nan 8.270 nan 0.000 0.524 15 G N 1.290 110.102 108.800 0.020 0.000 2.157 15 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.239 15 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.239 15 G C -0.272 174.659 174.900 0.051 0.000 0.982 15 G CA -0.393 44.736 45.100 0.048 0.000 0.650 15 G HN 0.220 nan 8.290 nan 0.000 0.527 16 N N 1.219 119.915 118.700 -0.007 0.000 2.487 16 N HA 0.523 5.263 4.740 -0.000 0.000 0.292 16 N C -2.785 172.614 175.510 -0.186 0.000 1.108 16 N CA -1.405 51.605 53.050 -0.066 0.000 0.956 16 N CB 1.537 40.003 38.487 -0.034 0.000 1.176 16 N HN 0.020 nan 8.380 nan 0.000 0.484 17 P HA 0.119 nan 4.420 nan 0.000 0.269 17 P C -0.209 176.971 177.300 -0.200 0.000 1.209 17 P CA 0.260 63.128 63.100 -0.386 0.000 0.776 17 P CB 0.713 32.065 31.700 -0.581 0.000 0.876 18 T N 0.874 115.334 114.554 -0.157 0.000 2.816 18 T HA 0.382 4.732 4.350 -0.000 0.000 0.299 18 T C -1.169 173.473 174.700 -0.096 0.000 1.230 18 T CA -0.577 61.460 62.100 -0.105 0.000 1.007 18 T CB 0.768 69.588 68.868 -0.079 0.000 1.289 18 T HN -0.053 nan 8.240 nan 0.000 0.508 19 V N 2.694 122.559 119.914 -0.081 0.000 2.546 19 V HA 0.544 4.664 4.120 -0.000 0.000 0.284 19 V C 0.223 176.273 176.094 -0.074 0.000 1.050 19 V CA -0.165 62.084 62.300 -0.084 0.000 0.981 19 V CB 1.219 32.995 31.823 -0.078 0.000 0.990 19 V HN 0.839 nan 8.190 nan 0.000 0.474 20 E N 3.438 123.590 120.200 -0.081 0.000 2.293 20 E HA 0.701 5.051 4.350 -0.000 0.000 0.270 20 E C -1.969 174.590 176.600 -0.069 0.000 0.879 20 E CA -0.546 55.820 56.400 -0.057 0.000 0.756 20 E CB 2.397 32.076 29.700 -0.034 0.000 1.208 20 E HN 0.436 nan 8.360 nan 0.000 0.428 21 V N 2.954 122.844 119.914 -0.040 0.000 2.656 21 V HA 0.378 4.498 4.120 -0.000 0.000 0.307 21 V C -1.054 175.055 176.094 0.026 0.000 1.051 21 V CA -0.981 61.303 62.300 -0.027 0.000 0.893 21 V CB 2.037 33.840 31.823 -0.033 0.000 0.999 21 V HN 0.691 nan 8.190 nan 0.000 0.426 22 D N 3.624 124.072 120.400 0.080 0.000 2.344 22 D HA 0.566 5.206 4.640 -0.000 0.000 0.239 22 D C -0.734 175.638 176.300 0.120 0.000 1.064 22 D CA -0.013 54.033 54.000 0.077 0.000 0.829 22 D CB 2.263 43.176 40.800 0.189 0.000 1.129 22 D HN 0.453 nan 8.370 nan 0.000 0.506 23 L N 3.288 124.534 121.223 0.038 0.000 2.333 23 L HA 0.428 4.768 4.340 -0.000 0.000 0.280 23 L C -1.415 175.510 176.870 0.093 0.000 1.004 23 L CA -0.765 54.163 54.840 0.146 0.000 0.820 23 L CB 0.846 42.991 42.059 0.143 0.000 1.247 23 L HN 0.250 nan 8.230 nan 0.000 0.416 24 Y N 2.618 123.018 120.300 0.167 0.000 2.342 24 Y HA 0.669 5.219 4.550 -0.000 0.000 0.334 24 Y C 0.595 176.595 175.900 0.167 0.000 1.067 24 Y CA -0.413 57.780 58.100 0.154 0.000 1.128 24 Y CB 2.119 40.630 38.460 0.085 0.000 1.200 24 Y HN 0.600 nan 8.280 nan 0.000 0.464 25 T N -2.103 112.652 114.554 0.334 0.000 2.843 25 T HA 0.590 4.940 4.350 -0.000 0.000 0.302 25 T C 0.662 175.488 174.700 0.211 0.000 1.232 25 T CA -0.475 61.770 62.100 0.241 0.000 1.009 25 T CB 1.350 70.344 68.868 0.210 0.000 1.254 25 T HN 0.630 nan 8.240 nan 0.000 0.504 26 A N 0.743 123.647 122.820 0.140 0.000 2.084 26 A HA -0.069 4.251 4.320 -0.000 0.000 0.221 26 A C 2.007 179.661 177.584 0.117 0.000 1.161 26 A CA 1.248 53.348 52.037 0.106 0.000 0.653 26 A CB -0.732 18.310 19.000 0.069 0.000 0.802 26 A HN 0.697 nan 8.150 nan 0.000 0.457 27 K N -1.049 119.455 120.400 0.173 0.000 2.366 27 K HA 0.219 4.539 4.320 -0.000 0.000 0.198 27 K C 1.118 177.832 176.600 0.190 0.000 1.044 27 K CA 0.914 57.325 56.287 0.207 0.000 0.973 27 K CB -0.274 32.388 32.500 0.269 0.000 0.767 27 K HN 0.675 nan 8.250 nan 0.000 0.475 28 G N 0.375 109.254 108.800 0.132 0.000 2.302 28 G HA2 0.007 3.967 3.960 -0.000 0.000 0.264 28 G HA3 0.007 3.967 3.960 -0.000 0.000 0.264 28 G C -1.911 172.701 174.900 -0.479 0.000 1.335 28 G CA -0.820 44.164 45.100 -0.194 0.000 0.982 28 G HN 0.073 nan 8.290 nan 0.000 0.473 29 L N 0.266 120.991 121.223 -0.830 0.000 2.322 29 L HA 0.831 5.171 4.340 -0.000 0.000 0.281 29 L C -1.213 174.978 176.870 -1.132 0.000 1.014 29 L CA -0.958 53.345 54.840 -0.894 0.000 0.815 29 L CB 1.003 42.671 42.059 -0.651 0.000 1.247 29 L HN 0.431 nan 8.230 nan 0.000 0.421 30 F N 4.305 124.113 119.950 -0.236 0.000 2.529 30 F HA 0.601 5.128 4.527 -0.000 0.000 0.320 30 F C -0.037 175.703 175.800 -0.099 0.000 1.118 30 F CA -0.615 57.316 58.000 -0.115 0.000 0.915 30 F CB 1.621 40.583 39.000 -0.064 0.000 1.161 30 F HN 0.365 nan 8.300 nan 0.000 0.445 31 R N 2.155 122.694 120.500 0.064 0.000 2.750 31 R HA 0.952 5.292 4.340 -0.000 0.000 0.281 31 R C -1.712 174.629 176.300 0.069 0.000 0.972 31 R CA -0.633 55.491 56.100 0.040 0.000 0.912 31 R CB 2.024 32.322 30.300 -0.002 0.000 1.187 31 R HN 0.861 nan 8.270 nan 0.000 0.464 32 A N 1.771 124.616 122.820 0.043 0.000 2.593 32 A HA 0.886 5.206 4.320 -0.000 0.000 0.290 32 A C -1.744 175.837 177.584 -0.004 0.000 1.126 32 A CA -0.380 51.676 52.037 0.032 0.000 0.695 32 A CB 1.933 20.936 19.000 0.005 0.000 1.290 32 A HN 0.899 nan 8.150 nan 0.000 0.414 33 A N -0.313 122.498 122.820 -0.015 0.000 2.539 33 A HA 0.707 5.027 4.320 -0.000 0.000 0.296 33 A C -1.228 176.328 177.584 -0.046 0.000 1.073 33 A CA -0.445 51.575 52.037 -0.030 0.000 0.700 33 A CB 1.253 20.244 19.000 -0.015 0.000 1.296 33 A HN 1.449 nan 8.150 nan 0.000 0.405 34 V N 3.345 123.227 119.914 -0.054 0.000 2.439 34 V HA 0.501 4.621 4.120 -0.000 0.000 0.282 34 V C -1.846 174.221 176.094 -0.044 0.000 1.039 34 V CA -1.170 61.096 62.300 -0.057 0.000 0.913 34 V CB 1.347 33.134 31.823 -0.060 0.000 0.983 34 V HN 0.874 nan 8.190 nan 0.000 0.460 35 P HA 0.364 nan 4.420 nan 0.000 0.282 35 P C -0.787 176.490 177.300 -0.039 0.000 1.287 35 P CA -0.488 62.591 63.100 -0.034 0.000 0.792 35 P CB 1.620 33.306 31.700 -0.022 0.000 1.163 36 S N -1.436 114.237 115.700 -0.045 0.000 2.546 36 S HA 0.649 5.119 4.470 -0.000 0.000 0.272 36 S C -0.398 174.176 174.600 -0.043 0.000 1.140 36 S CA -0.636 57.541 58.200 -0.038 0.000 0.920 36 S CB 0.689 63.866 63.200 -0.037 0.000 1.083 36 S HN 0.646 nan 8.310 nan 0.000 0.476 37 G N 1.315 110.102 108.800 -0.022 0.000 2.462 37 G HA2 0.642 4.602 3.960 -0.000 0.000 0.319 37 G HA3 0.642 4.602 3.960 -0.000 0.000 0.319 37 G C 0.645 175.559 174.900 0.023 0.000 1.171 37 G CA -0.107 44.989 45.100 -0.006 0.000 0.920 37 G HN 1.014 nan 8.290 nan 0.000 0.499 38 A N -0.017 122.845 122.820 0.070 0.000 1.984 38 A HA 0.356 4.676 4.320 -0.000 0.000 0.203 38 A C 1.533 179.181 177.584 0.106 0.000 1.292 38 A CA 1.105 53.205 52.037 0.105 0.000 0.782 38 A CB -0.038 19.068 19.000 0.176 0.000 0.924 38 A HN 1.155 nan 8.150 nan 0.000 0.475 39 S N 1.716 117.486 115.700 0.116 0.000 2.567 39 S HA 0.450 4.920 4.470 -0.000 0.000 0.262 39 S C -0.142 174.480 174.600 0.037 0.000 1.237 39 S CA -0.015 58.218 58.200 0.055 0.000 1.093 39 S CB -0.217 62.985 63.200 0.004 0.000 1.095 39 S HN 0.534 nan 8.310 nan 0.000 0.489 40 T N 0.019 114.591 114.554 0.030 0.000 2.795 40 T HA 0.699 5.049 4.350 -0.000 0.000 0.282 40 T C 0.608 175.319 174.700 0.018 0.000 0.980 40 T CA -0.670 61.444 62.100 0.024 0.000 1.012 40 T CB 1.198 70.079 68.868 0.021 0.000 0.936 40 T HN 0.595 nan 8.240 nan 0.000 0.457 41 G N 2.304 111.121 108.800 0.028 0.000 2.442 41 G HA2 0.391 4.351 3.960 -0.000 0.000 0.249 41 G HA3 0.391 4.351 3.960 -0.000 0.000 0.249 41 G C 1.228 176.152 174.900 0.039 0.000 1.263 41 G CA -0.870 44.260 45.100 0.049 0.000 0.846 41 G HN 1.048 nan 8.290 nan 0.000 0.555 42 I N -0.608 119.955 120.570 -0.011 0.000 2.502 42 I HA -0.175 3.995 4.170 -0.000 0.000 0.258 42 I C 1.061 177.044 176.117 -0.224 0.000 1.172 42 I CA 1.100 62.304 61.300 -0.160 0.000 1.430 42 I CB -0.310 37.505 38.000 -0.309 0.000 1.086 42 I HN 0.452 nan 8.210 nan 0.000 0.440 43 Y N 1.972 122.269 120.300 -0.005 0.000 2.495 43 Y HA 0.335 4.885 4.550 -0.000 0.000 0.293 43 Y C 0.800 176.698 175.900 -0.003 0.000 1.186 43 Y CA -0.430 57.670 58.100 -0.000 0.000 1.266 43 Y CB -0.548 37.916 38.460 0.007 0.000 1.101 43 Y HN 0.239 nan 8.280 nan 0.000 0.517 44 E N 0.962 121.218 120.200 0.093 0.000 2.366 44 E HA 0.408 4.758 4.350 -0.000 0.000 0.266 44 E C 0.059 176.679 176.600 0.033 0.000 1.051 44 E CA -0.529 55.906 56.400 0.058 0.000 0.884 44 E CB 0.998 30.720 29.700 0.036 0.000 1.006 44 E HN 0.280 nan 8.360 nan 0.000 0.417 45 A N 3.885 126.721 122.820 0.027 0.000 2.548 45 A HA -0.023 4.297 4.320 -0.000 0.000 0.247 45 A C 0.325 177.912 177.584 0.004 0.000 1.067 45 A CA -0.201 51.843 52.037 0.012 0.000 0.757 45 A CB 0.078 19.082 19.000 0.007 0.000 0.996 45 A HN 0.558 nan 8.150 nan 0.000 0.504 46 L N 2.277 123.498 121.223 -0.002 0.000 2.578 46 L HA 0.042 4.382 4.340 -0.000 0.000 0.279 46 L C 0.550 177.421 176.870 0.001 0.000 1.227 46 L CA 0.955 55.793 54.840 -0.004 0.000 0.900 46 L CB 0.262 42.316 42.059 -0.010 0.000 1.144 46 L HN 0.893 nan 8.230 nan 0.000 0.496 47 E N 5.075 125.277 120.200 0.003 0.000 2.092 47 E HA 0.221 4.571 4.350 -0.000 0.000 0.271 47 E C -1.076 175.531 176.600 0.011 0.000 0.919 47 E CA -0.898 55.504 56.400 0.004 0.000 0.760 47 E CB 1.270 30.969 29.700 -0.000 0.000 1.106 47 E HN 0.564 nan 8.360 nan 0.000 0.408 48 L N 5.671 126.907 121.223 0.023 0.000 2.315 48 L HA 0.280 4.620 4.340 -0.000 0.000 0.283 48 L C -0.615 176.272 176.870 0.029 0.000 1.089 48 L CA 0.123 54.986 54.840 0.039 0.000 0.833 48 L CB 0.220 42.326 42.059 0.077 0.000 1.170 48 L HN 0.498 nan 8.230 nan 0.000 0.442 49 R N 3.032 123.546 120.500 0.025 0.000 2.787 49 R HA 0.284 4.624 4.340 -0.000 0.000 0.271 49 R C 0.275 176.589 176.300 0.024 0.000 0.993 49 R CA -0.753 55.357 56.100 0.016 0.000 0.993 49 R CB 1.220 31.529 30.300 0.015 0.000 1.155 49 R HN 0.570 nan 8.270 nan 0.000 0.486 50 D N 0.437 120.849 120.400 0.020 0.000 2.149 50 D HA -0.001 4.639 4.640 -0.000 0.000 0.201 50 D C 1.145 177.462 176.300 0.030 0.000 0.972 50 D CA 1.664 55.678 54.000 0.024 0.000 0.835 50 D CB 0.090 40.906 40.800 0.026 0.000 0.966 50 D HN 0.887 nan 8.370 nan 0.000 0.476 51 G N 0.999 109.820 108.800 0.034 0.000 2.184 51 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.264 51 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.264 51 G C 0.148 175.069 174.900 0.034 0.000 0.975 51 G CA 0.402 45.522 45.100 0.033 0.000 0.642 51 G HN 0.392 nan 8.290 nan 0.000 0.536 52 D N 0.833 121.257 120.400 0.039 0.000 2.416 52 D HA 0.394 5.034 4.640 -0.000 0.000 0.240 52 D C 1.729 178.053 176.300 0.041 0.000 1.250 52 D CA 0.210 54.232 54.000 0.037 0.000 0.967 52 D CB 0.450 41.274 40.800 0.040 0.000 1.059 52 D HN 0.137 nan 8.370 nan 0.000 0.512 53 K N 2.358 122.777 120.400 0.032 0.000 2.228 53 K HA -0.163 4.157 4.320 -0.000 0.000 0.205 53 K C 1.626 178.240 176.600 0.022 0.000 1.045 53 K CA 1.145 57.449 56.287 0.029 0.000 0.931 53 K CB -0.345 32.168 32.500 0.023 0.000 0.727 53 K HN 0.638 nan 8.250 nan 0.000 0.458 54 Q N -0.556 119.253 119.800 0.016 0.000 2.282 54 Q HA 0.157 4.497 4.340 -0.000 0.000 0.205 54 Q C 0.111 176.106 176.000 -0.008 0.000 0.915 54 Q CA 0.011 55.815 55.803 0.002 0.000 0.949 54 Q CB 0.205 28.943 28.738 0.000 0.000 1.035 54 Q HN 0.224 nan 8.270 nan 0.000 0.484 55 R N -0.827 119.681 120.500 0.013 0.000 2.518 55 R HA 0.074 4.414 4.340 -0.000 0.000 0.287 55 R C -1.157 175.211 176.300 0.113 0.000 1.135 55 R CA -0.393 55.715 56.100 0.013 0.000 0.967 55 R CB 0.581 30.921 30.300 0.067 0.000 1.212 55 R HN 0.180 nan 8.270 nan 0.000 0.422 56 Y N 5.158 125.462 120.300 0.008 0.000 3.978 56 Y HA -0.336 4.214 4.550 -0.000 0.000 0.219 56 Y C 0.544 176.450 175.900 0.010 0.000 1.153 56 Y CA 1.209 59.314 58.100 0.009 0.000 1.718 56 Y CB -1.074 37.390 38.460 0.007 0.000 1.541 56 Y HN 0.764 nan 8.280 nan 0.000 0.640 57 L N -1.751 119.535 121.223 0.105 0.000 4.040 57 L HA -0.368 3.972 4.340 -0.000 0.000 0.410 57 L C 1.425 178.342 176.870 0.078 0.000 1.187 57 L CA 1.006 55.892 54.840 0.076 0.000 0.956 57 L CB -1.778 40.325 42.059 0.074 0.000 2.022 57 L HN 0.899 nan 8.230 nan 0.000 0.897 58 G N -1.334 107.521 108.800 0.091 0.000 2.176 58 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.253 58 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.253 58 G C 0.758 175.699 174.900 0.068 0.000 0.979 58 G CA 0.427 45.570 45.100 0.071 0.000 0.641 58 G HN 0.314 nan 8.290 nan 0.000 0.530 59 K N 1.145 121.598 120.400 0.088 0.000 2.487 59 K HA 0.189 4.509 4.320 -0.000 0.000 0.192 59 K C 1.693 178.290 176.600 -0.004 0.000 1.027 59 K CA 0.506 56.819 56.287 0.043 0.000 1.054 59 K CB 0.001 32.526 32.500 0.042 0.000 0.824 59 K HN 0.560 nan 8.250 nan 0.000 0.510 60 G N 1.113 109.935 108.800 0.037 0.000 2.630 60 G HA2 0.150 4.110 3.960 -0.000 0.000 0.236 60 G HA3 0.150 4.110 3.960 -0.000 0.000 0.236 60 G C 0.568 175.443 174.900 -0.041 0.000 1.248 60 G CA -0.200 44.890 45.100 -0.018 0.000 0.844 60 G HN 0.100 nan 8.290 nan 0.000 0.588 61 V N 0.037 119.908 119.914 -0.072 0.000 2.909 61 V HA 0.320 4.440 4.120 -0.000 0.000 0.362 61 V C 1.435 177.492 176.094 -0.062 0.000 1.356 61 V CA -0.206 62.058 62.300 -0.059 0.000 1.195 61 V CB -0.399 31.378 31.823 -0.076 0.000 1.256 61 V HN 0.595 nan 8.190 nan 0.000 0.567 62 L N -0.464 120.729 121.223 -0.050 0.000 2.141 62 L HA -0.006 4.334 4.340 -0.000 0.000 0.209 62 L C 2.603 179.416 176.870 -0.095 0.000 1.094 62 L CA 1.672 56.473 54.840 -0.065 0.000 0.763 62 L CB -0.474 41.565 42.059 -0.033 0.000 0.908 62 L HN 0.340 nan 8.230 nan 0.000 0.437 63 K N 0.355 120.709 120.400 -0.076 0.000 2.025 63 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 63 K C 2.300 178.827 176.600 -0.121 0.000 1.049 63 K CA 1.331 57.539 56.287 -0.132 0.000 0.933 63 K CB -0.272 32.200 32.500 -0.046 0.000 0.714 63 K HN 0.259 nan 8.250 nan 0.000 0.438 64 A N 1.077 123.904 122.820 0.013 0.000 1.972 64 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 64 A C 2.336 179.893 177.584 -0.044 0.000 1.169 64 A CA 1.241 53.323 52.037 0.075 0.000 0.635 64 A CB -0.507 18.516 19.000 0.039 0.000 0.810 64 A HN 0.069 nan 8.150 nan 0.000 0.446 65 V N 0.335 120.176 119.914 -0.121 0.000 2.453 65 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 65 V C 2.104 178.049 176.094 -0.248 0.000 1.048 65 V CA 2.137 64.313 62.300 -0.207 0.000 1.049 65 V CB -0.689 30.993 31.823 -0.235 0.000 0.672 65 V HN 0.468 nan 8.190 nan 0.000 0.457 66 D N -0.945 119.318 120.400 -0.227 0.000 2.117 66 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 66 D C 2.133 178.300 176.300 -0.222 0.000 0.987 66 D CA 1.193 55.053 54.000 -0.233 0.000 0.829 66 D CB -0.333 40.319 40.800 -0.247 0.000 0.961 66 D HN 0.458 nan 8.370 nan 0.000 0.460 67 H N 0.129 119.085 119.070 -0.190 0.000 2.422 67 H HA -0.037 4.519 4.556 -0.000 0.000 0.298 67 H C 2.335 177.397 175.328 -0.443 0.000 1.098 67 H CA 0.650 56.499 56.048 -0.333 0.000 1.315 67 H CB -0.037 29.500 29.762 -0.375 0.000 1.382 67 H HN 0.259 nan 8.280 nan 0.000 0.523 68 I N 0.589 121.034 120.570 -0.209 0.000 2.277 68 I HA -0.210 3.960 4.170 -0.000 0.000 0.243 68 I C 2.014 178.031 176.117 -0.167 0.000 1.094 68 I CA 0.767 61.938 61.300 -0.215 0.000 1.393 68 I CB -0.111 37.773 38.000 -0.192 0.000 1.078 68 I HN 0.116 nan 8.210 nan 0.000 0.417 69 N N 0.572 119.160 118.700 -0.187 0.000 2.216 69 N HA -0.086 4.654 4.740 -0.000 0.000 0.183 69 N C 1.869 177.374 175.510 -0.009 0.000 1.017 69 N CA 1.449 54.439 53.050 -0.099 0.000 0.861 69 N CB -0.210 38.141 38.487 -0.226 0.000 0.986 69 N HN 0.229 nan 8.380 nan 0.000 0.428 70 S N -1.000 114.672 115.700 -0.048 0.000 2.486 70 S HA 0.123 4.593 4.470 -0.000 0.000 0.220 70 S C 1.522 176.110 174.600 -0.019 0.000 1.011 70 S CA 0.577 58.770 58.200 -0.013 0.000 0.921 70 S CB 0.534 63.724 63.200 -0.018 0.000 0.785 70 S HN 0.320 nan 8.310 nan 0.000 0.517 71 T N 1.447 115.957 114.554 -0.074 0.000 3.221 71 T HA 0.353 4.703 4.350 -0.000 0.000 0.250 71 T C 1.695 176.335 174.700 -0.100 0.000 0.988 71 T CA -0.138 61.920 62.100 -0.069 0.000 1.163 71 T CB -0.230 68.586 68.868 -0.087 0.000 1.098 71 T HN 0.137 nan 8.240 nan 0.000 0.422 72 I N 2.223 122.659 120.570 -0.224 0.000 2.226 72 I HA -0.113 4.057 4.170 -0.000 0.000 0.245 72 I C 2.965 179.048 176.117 -0.056 0.000 1.100 72 I CA 1.199 62.404 61.300 -0.158 0.000 1.374 72 I CB -0.495 37.362 38.000 -0.238 0.000 1.057 72 I HN 0.224 nan 8.210 nan 0.000 0.413 73 A N 2.027 124.821 122.820 -0.044 0.000 1.865 73 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 73 A C 0.225 177.824 177.584 0.025 0.000 1.191 73 A CA 1.980 54.023 52.037 0.010 0.000 0.623 73 A CB -2.082 16.942 19.000 0.040 0.000 0.826 73 A HN 0.308 nan 8.150 nan 0.000 0.444 74 P HA -0.068 nan 4.420 nan 0.000 0.221 74 P C 1.476 178.793 177.300 0.027 0.000 1.150 74 P CA 1.716 64.833 63.100 0.028 0.000 0.800 74 P CB -0.088 31.629 31.700 0.028 0.000 0.787 75 A N 0.612 123.447 122.820 0.025 0.000 1.873 75 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 75 A C 2.406 180.008 177.584 0.031 0.000 1.186 75 A CA 1.300 53.357 52.037 0.033 0.000 0.616 75 A CB -1.492 17.535 19.000 0.045 0.000 0.823 75 A HN 0.133 nan 8.150 nan 0.000 0.442 76 L N -0.637 120.603 121.223 0.028 0.000 2.156 76 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 76 L C 2.384 179.273 176.870 0.032 0.000 1.095 76 L CA 0.688 55.545 54.840 0.029 0.000 0.770 76 L CB -0.521 41.554 42.059 0.027 0.000 0.914 76 L HN 0.351 nan 8.230 nan 0.000 0.439 77 I N -0.506 120.084 120.570 0.035 0.000 2.252 77 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 77 I C 2.605 178.739 176.117 0.029 0.000 1.102 77 I CA 1.098 62.420 61.300 0.037 0.000 1.385 77 I CB -0.200 37.824 38.000 0.040 0.000 1.064 77 I HN 0.170 nan 8.210 nan 0.000 0.414 78 S N 0.711 116.428 115.700 0.027 0.000 2.382 78 S HA -0.190 4.280 4.470 -0.000 0.000 0.228 78 S C 2.147 176.760 174.600 0.021 0.000 1.027 78 S CA 1.640 59.854 58.200 0.023 0.000 0.991 78 S CB -0.427 62.787 63.200 0.023 0.000 0.823 78 S HN 0.637 nan 8.310 nan 0.000 0.469 79 S N 1.253 116.967 115.700 0.023 0.000 2.441 79 S HA -0.086 4.384 4.470 -0.000 0.000 0.242 79 S C 1.859 176.470 174.600 0.018 0.000 1.018 79 S CA 1.520 59.732 58.200 0.020 0.000 0.988 79 S CB -1.136 62.077 63.200 0.021 0.000 0.778 79 S HN 0.948 nan 8.310 nan 0.000 0.498 80 G N 0.701 109.513 108.800 0.019 0.000 2.196 80 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.268 80 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.268 80 G C 0.111 175.020 174.900 0.016 0.000 0.975 80 G CA 0.663 45.774 45.100 0.017 0.000 0.648 80 G HN 0.638 nan 8.290 nan 0.000 0.538 81 L N 0.875 122.108 121.223 0.016 0.000 2.483 81 L HA 0.412 4.752 4.340 -0.000 0.000 0.275 81 L C 1.241 178.118 176.870 0.011 0.000 1.220 81 L CA 0.312 55.160 54.840 0.013 0.000 0.833 81 L CB 0.982 43.050 42.059 0.014 0.000 1.102 81 L HN 0.218 nan 8.230 nan 0.000 0.490 82 S N 0.161 115.865 115.700 0.006 0.000 2.585 82 S HA 0.201 4.671 4.470 -0.000 0.000 0.277 82 S C 1.033 175.629 174.600 -0.007 0.000 1.241 82 S CA -0.855 57.344 58.200 -0.002 0.000 1.041 82 S CB 1.544 64.739 63.200 -0.008 0.000 0.987 82 S HN 0.435 nan 8.310 nan 0.000 0.512 83 V N 3.775 123.674 119.914 -0.026 0.000 3.140 83 V HA -0.081 4.039 4.120 -0.000 0.000 0.269 83 V C 1.841 177.923 176.094 -0.020 0.000 1.149 83 V CA 1.782 64.059 62.300 -0.037 0.000 1.162 83 V CB -1.807 29.957 31.823 -0.098 0.000 0.756 83 V HN 0.812 nan 8.190 nan 0.000 0.523 84 V N -1.622 118.281 119.914 -0.019 0.000 2.548 84 V HA 0.053 4.173 4.120 -0.000 0.000 0.249 84 V C 1.469 177.617 176.094 0.090 0.000 1.055 84 V CA 1.106 63.428 62.300 0.035 0.000 1.065 84 V CB -0.883 30.942 31.823 0.003 0.000 0.681 84 V HN 0.545 nan 8.190 nan 0.000 0.462 85 E N 1.739 121.964 120.200 0.043 0.000 2.222 85 E HA 0.050 4.400 4.350 -0.000 0.000 0.312 85 E C 1.174 177.793 176.600 0.031 0.000 1.263 85 E CA 0.076 56.496 56.400 0.032 0.000 1.356 85 E CB 0.898 30.609 29.700 0.018 0.000 1.180 85 E HN 0.700 nan 8.360 nan 0.000 0.494 86 Q N 1.798 121.622 119.800 0.041 0.000 2.045 86 Q HA -0.253 4.087 4.340 -0.000 0.000 0.206 86 Q C 1.873 177.878 176.000 0.009 0.000 0.991 86 Q CA 2.164 57.983 55.803 0.028 0.000 0.851 86 Q CB -0.008 28.739 28.738 0.015 0.000 0.911 86 Q HN 0.542 nan 8.270 nan 0.000 0.418 87 E N -0.432 119.768 120.200 0.000 0.000 2.130 87 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 87 E C 1.673 178.274 176.600 0.000 0.000 0.998 87 E CA 1.495 57.893 56.400 -0.004 0.000 0.806 87 E CB 0.025 29.720 29.700 -0.009 0.000 0.738 87 E HN 0.339 nan 8.360 nan 0.000 0.459 88 K N 0.064 120.467 120.400 0.005 0.000 2.007 88 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 88 K C 2.323 178.929 176.600 0.010 0.000 1.047 88 K CA 1.209 57.500 56.287 0.006 0.000 0.937 88 K CB -0.200 32.305 32.500 0.008 0.000 0.718 88 K HN 0.154 nan 8.250 nan 0.000 0.438 89 L N 1.380 122.611 121.223 0.013 0.000 2.127 89 L HA -0.233 4.107 4.340 -0.000 0.000 0.211 89 L C 1.860 178.739 176.870 0.015 0.000 1.089 89 L CA 1.071 55.921 54.840 0.015 0.000 0.757 89 L CB -0.339 41.729 42.059 0.016 0.000 0.899 89 L HN 0.197 nan 8.230 nan 0.000 0.434 90 D N -0.513 119.893 120.400 0.010 0.000 2.117 90 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 90 D C 1.999 178.305 176.300 0.009 0.000 0.982 90 D CA 0.838 54.842 54.000 0.006 0.000 0.828 90 D CB -0.166 40.633 40.800 -0.001 0.000 0.967 90 D HN 0.245 nan 8.370 nan 0.000 0.464 91 N N 0.508 119.212 118.700 0.006 0.000 2.142 91 N HA -0.113 4.627 4.740 -0.000 0.000 0.186 91 N C 1.903 177.420 175.510 0.012 0.000 1.023 91 N CA 0.249 53.302 53.050 0.004 0.000 0.852 91 N CB -0.321 38.166 38.487 -0.000 0.000 0.998 91 N HN 0.131 nan 8.380 nan 0.000 0.424 92 L N 1.448 122.682 121.223 0.018 0.000 2.043 92 L HA -0.087 4.253 4.340 -0.000 0.000 0.212 92 L C 2.229 179.128 176.870 0.048 0.000 1.075 92 L CA 1.520 56.378 54.840 0.029 0.000 0.752 92 L CB -0.468 41.609 42.059 0.030 0.000 0.891 92 L HN 0.158 nan 8.230 nan 0.000 0.432 93 M N -1.869 117.764 119.600 0.056 0.000 2.175 93 M HA -0.195 4.285 4.480 -0.000 0.000 0.264 93 M C 2.147 178.493 176.300 0.077 0.000 1.063 93 M CA 1.417 56.776 55.300 0.099 0.000 1.119 93 M CB -0.326 32.324 32.600 0.083 0.000 1.377 93 M HN 0.276 nan 8.290 nan 0.000 0.415 94 L N 0.186 121.426 121.223 0.028 0.000 2.027 94 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 94 L C 3.068 179.919 176.870 -0.032 0.000 1.074 94 L CA 1.860 56.696 54.840 -0.007 0.000 0.745 94 L CB -1.395 40.657 42.059 -0.011 0.000 0.898 94 L HN 0.398 nan 8.230 nan 0.000 0.433 95 E N 0.438 120.628 120.200 -0.016 0.000 2.106 95 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 95 E C 2.021 178.597 176.600 -0.040 0.000 0.984 95 E CA 1.384 57.767 56.400 -0.027 0.000 0.806 95 E CB -0.761 28.933 29.700 -0.010 0.000 0.750 95 E HN 0.330 nan 8.360 nan 0.000 0.458 96 L N 1.514 122.736 121.223 -0.002 0.000 2.093 96 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 96 L C 2.157 178.911 176.870 -0.194 0.000 1.085 96 L CA 2.565 57.414 54.840 0.015 0.000 0.755 96 L CB -0.146 42.024 42.059 0.184 0.000 0.904 96 L HN 0.519 nan 8.230 nan 0.000 0.435 97 D N -0.752 119.472 120.400 -0.293 0.000 2.084 97 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 97 D C 1.697 177.749 176.300 -0.413 0.000 0.985 97 D CA 1.669 55.270 54.000 -0.664 0.000 0.826 97 D CB 0.125 40.693 40.800 -0.386 0.000 0.978 97 D HN 0.486 nan 8.370 nan 0.000 0.456 98 G N 0.189 108.855 108.800 -0.224 0.000 2.205 98 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.261 98 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.261 98 G C 0.612 175.433 174.900 -0.132 0.000 0.980 98 G CA 1.197 46.204 45.100 -0.154 0.000 0.632 98 G HN 0.753 nan 8.290 nan 0.000 0.533 99 T N -2.344 112.120 114.554 -0.150 0.000 2.945 99 T HA 0.693 5.043 4.350 -0.000 0.000 0.286 99 T C 0.903 175.556 174.700 -0.078 0.000 1.025 99 T CA 0.475 62.509 62.100 -0.109 0.000 1.039 99 T CB 2.409 71.204 68.868 -0.122 0.000 1.068 99 T HN 0.139 nan 8.240 nan 0.000 0.497 100 E N 1.334 121.502 120.200 -0.054 0.000 2.107 100 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 100 E C 1.422 178.006 176.600 -0.027 0.000 0.982 100 E CA 1.420 57.800 56.400 -0.035 0.000 0.809 100 E CB -0.090 29.598 29.700 -0.021 0.000 0.756 100 E HN 0.770 nan 8.360 nan 0.000 0.459 101 N N 0.294 118.976 118.700 -0.030 0.000 2.238 101 N HA 0.022 4.762 4.740 -0.000 0.000 0.222 101 N C -0.741 174.750 175.510 -0.030 0.000 1.133 101 N CA 0.041 53.079 53.050 -0.020 0.000 0.854 101 N CB 0.179 38.658 38.487 -0.013 0.000 1.041 101 N HN 0.049 nan 8.380 nan 0.000 0.510 102 K N 0.083 120.452 120.400 -0.052 0.000 3.150 102 K HA -0.152 4.168 4.320 -0.000 0.000 0.267 102 K C 0.237 176.798 176.600 -0.064 0.000 1.028 102 K CA 0.782 57.031 56.287 -0.063 0.000 0.753 102 K CB -2.031 30.453 32.500 -0.025 0.000 1.288 102 K HN 0.549 nan 8.250 nan 0.000 0.473 103 S N -1.002 114.648 115.700 -0.083 0.000 2.593 103 S HA -0.014 4.456 4.470 -0.000 0.000 0.217 103 S C 1.532 176.074 174.600 -0.096 0.000 0.966 103 S CA 0.302 58.463 58.200 -0.066 0.000 0.914 103 S CB 0.452 63.620 63.200 -0.053 0.000 0.776 103 S HN 0.454 nan 8.310 nan 0.000 0.523 104 K N 0.975 121.255 120.400 -0.202 0.000 2.078 104 K HA 0.195 4.515 4.320 -0.000 0.000 0.203 104 K C 1.292 177.717 176.600 -0.293 0.000 1.043 104 K CA 0.826 56.933 56.287 -0.300 0.000 0.960 104 K CB -0.158 32.003 32.500 -0.566 0.000 0.761 104 K HN 0.491 nan 8.250 nan 0.000 0.448 105 F N 0.568 120.313 119.950 -0.342 0.000 2.619 105 F HA 0.197 4.724 4.527 -0.000 0.000 0.293 105 F C 0.916 176.627 175.800 -0.148 0.000 1.119 105 F CA -0.040 57.704 58.000 -0.426 0.000 1.445 105 F CB 0.819 39.655 39.000 -0.273 0.000 1.119 105 F HN 0.293 nan 8.300 nan 0.000 0.573 106 G N 0.526 109.371 108.800 0.076 0.000 2.785 106 G HA2 -0.013 3.946 3.960 -0.000 0.000 0.686 106 G HA3 -0.013 3.946 3.960 -0.000 0.000 0.686 106 G C 0.358 175.284 174.900 0.044 0.000 1.155 106 G CA -0.593 44.539 45.100 0.054 0.000 0.760 106 G HN 0.299 nan 8.290 nan 0.000 0.624 107 A N 1.676 124.506 122.820 0.017 0.000 2.015 107 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 107 A C 2.288 179.870 177.584 -0.003 0.000 1.163 107 A CA 2.187 54.227 52.037 0.006 0.000 0.646 107 A CB -0.413 18.585 19.000 -0.003 0.000 0.806 107 A HN 1.539 nan 8.150 nan 0.000 0.448 108 N N 1.021 119.720 118.700 -0.003 0.000 2.270 108 N HA -0.003 4.737 4.740 -0.000 0.000 0.181 108 N C 1.577 177.073 175.510 -0.024 0.000 1.016 108 N CA 1.629 54.667 53.050 -0.020 0.000 0.870 108 N CB -0.787 37.687 38.487 -0.022 0.000 0.979 108 N HN 0.356 nan 8.380 nan 0.000 0.431 109 A N 1.650 124.470 122.820 0.000 0.000 1.854 109 A HA 0.103 4.423 4.320 -0.000 0.000 0.214 109 A C 2.410 179.980 177.584 -0.023 0.000 1.192 109 A CA 0.912 52.940 52.037 -0.015 0.000 0.611 109 A CB -0.741 18.267 19.000 0.014 0.000 0.832 109 A HN 0.222 nan 8.150 nan 0.000 0.442 110 I N -0.667 119.913 120.570 0.016 0.000 2.163 110 I HA -0.246 3.924 4.170 -0.000 0.000 0.243 110 I C 2.471 178.572 176.117 -0.027 0.000 1.085 110 I CA 1.341 62.651 61.300 0.016 0.000 1.347 110 I CB -0.375 37.656 38.000 0.050 0.000 1.044 110 I HN 0.371 nan 8.210 nan 0.000 0.408 111 L N 1.387 122.585 121.223 -0.042 0.000 2.012 111 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 111 L C 2.395 179.199 176.870 -0.110 0.000 1.073 111 L CA 2.315 57.106 54.840 -0.083 0.000 0.748 111 L CB -1.367 40.642 42.059 -0.084 0.000 0.891 111 L HN 0.219 nan 8.230 nan 0.000 0.431 112 G N -0.968 107.779 108.800 -0.088 0.000 2.491 112 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 112 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 112 G C 1.550 176.402 174.900 -0.081 0.000 1.180 112 G CA 1.428 46.474 45.100 -0.090 0.000 0.774 112 G HN 0.355 nan 8.290 nan 0.000 0.562 113 V N 0.660 120.536 119.914 -0.064 0.000 2.343 113 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 113 V C 3.017 179.085 176.094 -0.044 0.000 1.051 113 V CA 2.233 64.507 62.300 -0.043 0.000 1.036 113 V CB -0.509 31.292 31.823 -0.036 0.000 0.654 113 V HN 0.494 nan 8.190 nan 0.000 0.451 114 S N -0.287 115.375 115.700 -0.063 0.000 2.370 114 S HA -0.167 4.303 4.470 -0.000 0.000 0.226 114 S C 1.937 176.472 174.600 -0.109 0.000 1.033 114 S CA 1.755 59.913 58.200 -0.069 0.000 1.011 114 S CB -0.335 62.818 63.200 -0.080 0.000 0.852 114 S HN 0.516 nan 8.310 nan 0.000 0.457 115 L N 1.016 122.116 121.223 -0.204 0.000 2.046 115 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 115 L C 2.962 179.790 176.870 -0.070 0.000 1.077 115 L CA 1.266 55.903 54.840 -0.338 0.000 0.747 115 L CB -0.700 41.075 42.059 -0.474 0.000 0.896 115 L HN 0.405 nan 8.230 nan 0.000 0.432 116 A N -0.392 122.412 122.820 -0.026 0.000 1.933 116 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 116 A C 2.344 179.952 177.584 0.039 0.000 1.175 116 A CA 1.677 53.744 52.037 0.050 0.000 0.628 116 A CB -0.768 18.261 19.000 0.048 0.000 0.814 116 A HN 0.195 nan 8.150 nan 0.000 0.444 117 V N -1.210 118.711 119.914 0.011 0.000 2.358 117 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 117 V C 2.643 178.740 176.094 0.004 0.000 1.047 117 V CA 1.823 64.120 62.300 -0.007 0.000 1.035 117 V CB -1.075 30.752 31.823 0.006 0.000 0.658 117 V HN 0.782 nan 8.190 nan 0.000 0.452 118 C N 0.308 119.659 119.300 0.085 0.000 2.413 118 C HA -0.203 4.257 4.460 -0.000 0.000 0.276 118 C C 2.873 177.953 174.990 0.150 0.000 1.236 118 C CA 1.566 60.705 59.018 0.202 0.000 1.735 118 C CB -0.988 26.969 27.740 0.362 0.000 2.031 118 C HN 0.553 nan 8.230 nan 0.000 0.474 119 K N 0.427 120.897 120.400 0.117 0.000 2.097 119 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 119 K C 2.208 178.555 176.600 -0.422 0.000 1.049 119 K CA 1.601 57.890 56.287 0.005 0.000 0.933 119 K CB -0.323 32.278 32.500 0.169 0.000 0.717 119 K HN 0.580 nan 8.250 nan 0.000 0.442 120 A N 1.080 123.512 122.820 -0.646 0.000 1.929 120 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 120 A C 2.391 179.566 177.584 -0.680 0.000 1.176 120 A CA 1.646 52.950 52.037 -1.222 0.000 0.628 120 A CB -0.906 17.675 19.000 -0.697 0.000 0.816 120 A HN 0.410 nan 8.150 nan 0.000 0.444 121 G N -0.386 108.173 108.800 -0.402 0.000 2.408 121 G HA2 0.037 3.997 3.960 -0.000 0.000 0.217 121 G HA3 0.037 3.997 3.960 -0.000 0.000 0.217 121 G C 1.722 176.154 174.900 -0.780 0.000 1.150 121 G CA 1.310 46.164 45.100 -0.410 0.000 0.776 121 G HN 0.732 nan 8.290 nan 0.000 0.542 122 A N 1.274 123.627 122.820 -0.777 0.000 1.902 122 A HA 0.242 4.562 4.320 -0.000 0.000 0.217 122 A C 2.814 180.170 177.584 -0.381 0.000 1.181 122 A CA 2.297 53.946 52.037 -0.646 0.000 0.623 122 A CB -0.814 18.041 19.000 -0.241 0.000 0.818 122 A HN 0.781 nan 8.150 nan 0.000 0.443 123 A N -0.570 122.050 122.820 -0.333 0.000 1.933 123 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 123 A C 1.938 179.428 177.584 -0.156 0.000 1.175 123 A CA 2.064 53.996 52.037 -0.175 0.000 0.628 123 A CB -0.429 18.510 19.000 -0.102 0.000 0.814 123 A HN 0.509 nan 8.150 nan 0.000 0.444 124 E N 0.160 120.219 120.200 -0.235 0.000 2.204 124 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 124 E C 1.904 178.420 176.600 -0.140 0.000 0.989 124 E CA 0.989 57.294 56.400 -0.157 0.000 0.824 124 E CB -0.108 29.490 29.700 -0.170 0.000 0.756 124 E HN 0.596 nan 8.360 nan 0.000 0.477 125 R N -0.315 120.064 120.500 -0.200 0.000 2.334 125 R HA 0.074 4.414 4.340 -0.000 0.000 0.216 125 R C -0.180 176.054 176.300 -0.110 0.000 0.905 125 R CA 0.582 56.593 56.100 -0.147 0.000 1.064 125 R CB 0.460 30.654 30.300 -0.178 0.000 1.046 125 R HN -0.094 nan 8.270 nan 0.000 0.508 126 E N 0.479 120.615 120.200 -0.107 0.000 2.320 126 E HA -0.156 4.194 4.350 -0.000 0.000 0.234 126 E C -0.596 175.954 176.600 -0.083 0.000 1.183 126 E CA 0.881 57.238 56.400 -0.072 0.000 0.713 126 E CB -2.131 27.542 29.700 -0.045 0.000 1.226 126 E HN 0.368 nan 8.360 nan 0.000 0.382 127 L N -0.875 120.276 121.223 -0.119 0.000 2.409 127 L HA 0.664 5.004 4.340 -0.000 0.000 0.262 127 L C -2.148 174.615 176.870 -0.179 0.000 0.992 127 L CA -2.832 51.923 54.840 -0.141 0.000 0.817 127 L CB 2.338 44.318 42.059 -0.130 0.000 1.350 127 L HN -0.032 nan 8.230 nan 0.000 0.411 128 P HA 0.028 nan 4.420 nan 0.000 0.272 128 P C 0.683 177.786 177.300 -0.327 0.000 1.223 128 P CA -0.482 62.441 63.100 -0.296 0.000 0.784 128 P CB 1.366 32.803 31.700 -0.438 0.000 0.923 129 L N 3.804 124.926 121.223 -0.168 0.000 2.010 129 L HA -0.270 4.070 4.340 -0.000 0.000 0.219 129 L C 2.624 179.410 176.870 -0.140 0.000 1.077 129 L CA 2.222 56.992 54.840 -0.116 0.000 0.773 129 L CB -1.949 40.041 42.059 -0.115 0.000 0.892 129 L HN 0.520 nan 8.230 nan 0.000 0.436 130 Y N -2.128 118.105 120.300 -0.113 0.000 2.333 130 Y HA -0.117 4.433 4.550 -0.000 0.000 0.290 130 Y C 2.416 178.278 175.900 -0.064 0.000 1.144 130 Y CA 0.943 58.973 58.100 -0.117 0.000 1.228 130 Y CB -0.842 37.549 38.460 -0.116 0.000 0.985 130 Y HN 0.019 nan 8.280 nan 0.000 0.542 131 R N 0.085 120.255 120.500 -0.550 0.000 2.062 131 R HA -0.143 4.197 4.340 -0.000 0.000 0.229 131 R C 2.163 178.404 176.300 -0.099 0.000 1.128 131 R CA 1.761 57.675 56.100 -0.310 0.000 0.960 131 R CB -1.190 28.870 30.300 -0.400 0.000 0.855 131 R HN 0.532 nan 8.270 nan 0.000 0.432 132 H N 0.970 119.925 119.070 -0.192 0.000 2.352 132 H HA 0.014 4.570 4.556 -0.000 0.000 0.299 132 H C 2.005 177.288 175.328 -0.075 0.000 1.097 132 H CA 1.804 57.781 56.048 -0.118 0.000 1.311 132 H CB -0.310 29.381 29.762 -0.119 0.000 1.377 132 H HN 0.090 nan 8.280 nan 0.000 0.504 133 I N -0.037 120.449 120.570 -0.139 0.000 2.286 133 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 133 I C 2.651 178.702 176.117 -0.110 0.000 1.115 133 I CA 1.011 62.217 61.300 -0.157 0.000 1.392 133 I CB -0.479 37.461 38.000 -0.101 0.000 1.065 133 I HN 0.413 nan 8.210 nan 0.000 0.418 134 A N 0.140 122.923 122.820 -0.062 0.000 1.898 134 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 134 A C 2.250 179.804 177.584 -0.050 0.000 1.181 134 A CA 1.382 53.401 52.037 -0.031 0.000 0.620 134 A CB -0.548 18.457 19.000 0.008 0.000 0.819 134 A HN 0.442 nan 8.150 nan 0.000 0.442 135 Q N -0.477 119.283 119.800 -0.066 0.000 2.124 135 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 135 Q C 2.072 178.020 176.000 -0.088 0.000 0.977 135 Q CA 1.333 57.102 55.803 -0.058 0.000 0.850 135 Q CB -0.308 28.414 28.738 -0.026 0.000 0.901 135 Q HN 0.686 nan 8.270 nan 0.000 0.429 136 L N -0.212 120.914 121.223 -0.162 0.000 2.027 136 L HA -0.142 4.198 4.340 -0.000 0.000 0.206 136 L C 2.344 179.164 176.870 -0.083 0.000 1.074 136 L CA 1.022 55.771 54.840 -0.152 0.000 0.745 136 L CB -0.489 41.436 42.059 -0.224 0.000 0.898 136 L HN 0.183 nan 8.230 nan 0.000 0.433 137 A N -0.510 122.269 122.820 -0.069 0.000 2.167 137 A HA 0.178 4.498 4.320 -0.000 0.000 0.214 137 A C 1.649 179.214 177.584 -0.032 0.000 1.151 137 A CA 0.861 52.874 52.037 -0.040 0.000 0.735 137 A CB -0.515 18.468 19.000 -0.028 0.000 0.802 137 A HN 0.572 nan 8.150 nan 0.000 0.467 138 G N -0.572 108.207 108.800 -0.035 0.000 2.171 138 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.238 138 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.238 138 G C -0.306 174.585 174.900 -0.016 0.000 1.039 138 G CA 0.136 45.221 45.100 -0.024 0.000 0.759 138 G HN 0.497 nan 8.290 nan 0.000 0.501 139 N N -0.658 118.033 118.700 -0.014 0.000 2.485 139 N HA 0.762 5.502 4.740 -0.000 0.000 0.280 139 N C 0.851 176.362 175.510 0.002 0.000 1.205 139 N CA 0.033 53.080 53.050 -0.004 0.000 0.959 139 N CB 1.859 40.346 38.487 -0.000 0.000 1.206 139 N HN 0.075 nan 8.380 nan 0.000 0.545 140 S N -0.370 115.335 115.700 0.008 0.000 3.429 140 S HA 0.127 4.597 4.470 -0.000 0.000 0.237 140 S C -0.685 173.931 174.600 0.025 0.000 1.037 140 S CA -0.008 58.200 58.200 0.014 0.000 0.806 140 S CB 0.152 63.357 63.200 0.010 0.000 0.882 140 S HN 0.513 nan 8.310 nan 0.000 0.556 141 D N 2.991 123.404 120.400 0.022 0.000 2.374 141 D HA 0.328 4.968 4.640 -0.000 0.000 0.240 141 D C -0.566 175.750 176.300 0.026 0.000 1.229 141 D CA -0.046 53.970 54.000 0.026 0.000 0.895 141 D CB 0.297 41.109 40.800 0.019 0.000 1.046 141 D HN 0.022 nan 8.370 nan 0.000 0.498 142 L N 2.645 123.893 121.223 0.040 0.000 2.464 142 L HA 0.445 4.785 4.340 -0.000 0.000 0.264 142 L C 0.426 177.297 176.870 0.002 0.000 1.199 142 L CA -0.470 54.388 54.840 0.029 0.000 0.818 142 L CB -0.182 41.914 42.059 0.061 0.000 1.102 142 L HN 0.398 nan 8.230 nan 0.000 0.473 143 I N -0.392 120.165 120.570 -0.021 0.000 2.692 143 I HA 0.401 4.571 4.170 -0.000 0.000 0.293 143 I C -0.985 175.107 176.117 -0.041 0.000 1.200 143 I CA -0.667 60.621 61.300 -0.020 0.000 1.036 143 I CB 1.701 39.690 38.000 -0.018 0.000 1.258 143 I HN 0.111 nan 8.210 nan 0.000 0.421 144 L N 6.806 128.027 121.223 -0.003 0.000 2.416 144 L HA 0.486 4.826 4.340 -0.000 0.000 0.272 144 L C -2.025 174.872 176.870 0.045 0.000 1.161 144 L CA -1.052 53.802 54.840 0.024 0.000 0.845 144 L CB 0.489 42.661 42.059 0.189 0.000 1.119 144 L HN 0.587 nan 8.230 nan 0.000 0.464 145 P HA 0.177 nan 4.420 nan 0.000 0.278 145 P C -0.674 176.712 177.300 0.143 0.000 1.258 145 P CA -0.505 62.611 63.100 0.028 0.000 0.811 145 P CB 1.518 33.233 31.700 0.025 0.000 1.063 146 V N 3.440 123.322 119.914 -0.054 0.000 2.461 146 V HA 0.232 4.352 4.120 -0.000 0.000 0.275 146 V C -1.684 174.394 176.094 -0.027 0.000 1.047 146 V CA -1.585 60.690 62.300 -0.043 0.000 0.955 146 V CB 0.708 32.368 31.823 -0.272 0.000 0.988 146 V HN 0.604 nan 8.190 nan 0.000 0.471 147 P HA 0.402 nan 4.420 nan 0.000 0.284 147 P C -1.041 175.887 177.300 -0.621 0.000 1.253 147 P CA -0.540 62.353 63.100 -0.345 0.000 0.800 147 P CB 1.641 32.956 31.700 -0.640 0.000 0.961 148 A N 3.926 126.431 122.820 -0.526 0.000 2.399 148 A HA 0.554 4.874 4.320 -0.000 0.000 0.327 148 A C -0.658 176.719 177.584 -0.344 0.000 1.367 148 A CA -0.631 51.181 52.037 -0.374 0.000 0.842 148 A CB -0.482 18.405 19.000 -0.189 0.000 1.142 148 A HN 0.336 nan 8.150 nan 0.000 0.495 149 F N 1.613 121.529 119.950 -0.057 0.000 2.445 149 F HA 0.203 4.730 4.527 -0.000 0.000 0.359 149 F C 1.158 176.961 175.800 0.005 0.000 1.101 149 F CA -0.242 57.724 58.000 -0.057 0.000 1.177 149 F CB 0.774 39.672 39.000 -0.169 0.000 1.110 149 F HN 0.678 nan 8.300 nan 0.000 0.522 150 N N 3.487 122.305 118.700 0.196 0.000 2.739 150 N HA 0.131 4.871 4.740 -0.000 0.000 0.266 150 N C 0.896 176.521 175.510 0.191 0.000 1.168 150 N CA -0.328 52.831 53.050 0.181 0.000 1.055 150 N CB 0.553 39.151 38.487 0.185 0.000 1.393 150 N HN 0.623 nan 8.380 nan 0.000 0.514 151 V N 1.160 121.208 119.914 0.223 0.000 3.510 151 V HA 0.207 4.327 4.120 -0.000 0.000 0.270 151 V C 0.581 176.814 176.094 0.231 0.000 1.201 151 V CA 0.665 63.121 62.300 0.260 0.000 1.166 151 V CB -0.639 31.377 31.823 0.322 0.000 0.825 151 V HN 0.467 nan 8.190 nan 0.000 0.484 152 I N 1.859 122.571 120.570 0.237 0.000 2.576 152 I HA 0.407 4.577 4.170 -0.000 0.000 0.279 152 I C -1.021 175.267 176.117 0.286 0.000 1.114 152 I CA -0.387 61.049 61.300 0.226 0.000 1.076 152 I CB 1.411 39.484 38.000 0.122 0.000 1.212 152 I HN 0.112 nan 8.210 nan 0.000 0.472 153 N N 3.774 122.604 118.700 0.215 0.000 2.530 153 N HA 0.672 5.412 4.740 -0.000 0.000 0.277 153 N C 0.254 175.888 175.510 0.207 0.000 1.168 153 N CA -0.095 53.091 53.050 0.227 0.000 0.979 153 N CB 1.976 40.583 38.487 0.200 0.000 1.141 153 N HN 0.764 nan 8.380 nan 0.000 0.459 154 G N -1.636 107.287 108.800 0.205 0.000 2.871 154 G HA2 0.578 4.538 3.960 -0.000 0.000 0.282 154 G HA3 0.578 4.538 3.960 -0.000 0.000 0.282 154 G C 0.259 175.245 174.900 0.144 0.000 1.212 154 G CA 0.127 45.325 45.100 0.164 0.000 0.812 154 G HN 0.719 nan 8.290 nan 0.000 0.547 155 G N -0.067 108.844 108.800 0.184 0.000 2.652 155 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.318 155 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.318 155 G C 1.376 176.449 174.900 0.289 0.000 1.295 155 G CA 1.324 46.643 45.100 0.365 0.000 0.999 155 G HN 1.630 nan 8.290 nan 0.000 0.548 156 S N 0.123 115.986 115.700 0.272 0.000 2.603 156 S HA 0.153 4.623 4.470 -0.000 0.000 0.220 156 S C 1.332 176.094 174.600 0.270 0.000 0.967 156 S CA 1.044 59.390 58.200 0.243 0.000 0.920 156 S CB -0.139 63.202 63.200 0.235 0.000 0.773 156 S HN 0.603 nan 8.310 nan 0.000 0.529 157 H N 0.521 119.660 119.070 0.115 0.000 2.563 157 H HA 0.491 5.047 4.556 -0.000 0.000 0.264 157 H C 0.714 176.081 175.328 0.065 0.000 0.957 157 H CA 0.074 56.167 56.048 0.076 0.000 1.173 157 H CB 0.457 30.262 29.762 0.072 0.000 1.420 157 H HN 0.382 nan 8.280 nan 0.000 0.551 158 A N 0.251 123.181 122.820 0.184 0.000 2.609 158 A HA 0.539 4.859 4.320 -0.000 0.000 0.291 158 A C -0.374 177.246 177.584 0.061 0.000 1.096 158 A CA -0.305 51.798 52.037 0.110 0.000 0.684 158 A CB 0.956 20.023 19.000 0.111 0.000 1.282 158 A HN 0.197 nan 8.150 nan 0.000 0.412 159 G N 1.721 110.544 108.800 0.037 0.000 2.391 159 G HA2 0.509 4.469 3.960 -0.000 0.000 0.305 159 G HA3 0.509 4.469 3.960 -0.000 0.000 0.305 159 G C -0.417 174.475 174.900 -0.014 0.000 1.072 159 G CA 0.223 45.326 45.100 0.005 0.000 1.016 159 G HN 1.364 nan 8.290 nan 0.000 0.418 160 N N 0.838 119.511 118.700 -0.044 0.000 3.836 160 N HA 0.039 4.779 4.740 -0.000 0.000 0.229 160 N C 0.133 175.583 175.510 -0.099 0.000 1.375 160 N CA -0.850 52.162 53.050 -0.063 0.000 0.838 160 N CB 0.821 39.277 38.487 -0.051 0.000 1.447 160 N HN 0.213 nan 8.380 nan 0.000 0.458 161 K N -0.550 119.790 120.400 -0.101 0.000 2.243 161 K HA 0.146 4.466 4.320 -0.000 0.000 0.201 161 K C 0.431 176.965 176.600 -0.110 0.000 1.051 161 K CA -0.152 56.062 56.287 -0.122 0.000 0.970 161 K CB -0.149 32.295 32.500 -0.093 0.000 0.755 161 K HN 0.353 nan 8.250 nan 0.000 0.465 162 L N 1.636 122.818 121.223 -0.069 0.000 2.795 162 L HA -0.229 4.111 4.340 -0.000 0.000 0.290 162 L C 1.059 177.939 176.870 0.016 0.000 1.206 162 L CA 0.235 55.065 54.840 -0.017 0.000 0.919 162 L CB 0.361 42.430 42.059 0.016 0.000 1.227 162 L HN 0.154 nan 8.230 nan 0.000 0.483 163 A N 5.660 128.486 122.820 0.009 0.000 1.826 163 A HA -0.042 4.278 4.320 -0.000 0.000 0.214 163 A C 1.234 178.857 177.584 0.065 0.000 1.212 163 A CA 0.854 52.891 52.037 -0.001 0.000 0.605 163 A CB -0.409 18.439 19.000 -0.252 0.000 0.861 163 A HN 0.745 nan 8.150 nan 0.000 0.447 164 M N -0.044 119.583 119.600 0.045 0.000 2.235 164 M HA -0.077 4.403 4.480 -0.000 0.000 0.316 164 M C 1.335 177.697 176.300 0.104 0.000 1.035 164 M CA 0.642 55.991 55.300 0.082 0.000 1.084 164 M CB 0.528 33.170 32.600 0.070 0.000 1.529 164 M HN 0.661 nan 8.290 nan 0.000 0.440 165 Q N 1.841 121.635 119.800 -0.010 0.000 2.084 165 Q HA 0.038 4.378 4.340 -0.000 0.000 0.194 165 Q C -0.585 175.396 176.000 -0.032 0.000 0.969 165 Q CA 0.989 56.770 55.803 -0.038 0.000 0.829 165 Q CB 0.471 29.123 28.738 -0.142 0.000 0.904 165 Q HN 0.743 nan 8.270 nan 0.000 0.464 166 E N -0.509 119.575 120.200 -0.194 0.000 2.266 166 E HA 0.399 4.749 4.350 -0.000 0.000 0.268 166 E C -1.588 174.742 176.600 -0.450 0.000 0.879 166 E CA -0.570 55.755 56.400 -0.125 0.000 0.762 166 E CB 1.783 31.476 29.700 -0.012 0.000 1.199 166 E HN 0.061 nan 8.360 nan 0.000 0.422 167 F N 2.063 122.025 119.950 0.020 0.000 2.496 167 F HA 0.415 4.942 4.527 -0.000 0.000 0.341 167 F C -0.166 175.646 175.800 0.022 0.000 1.134 167 F CA -0.569 57.422 58.000 -0.014 0.000 0.968 167 F CB 1.069 40.041 39.000 -0.046 0.000 1.205 167 F HN 0.198 nan 8.300 nan 0.000 0.436 168 M N 4.835 124.496 119.600 0.102 0.000 2.644 168 M HA 0.671 5.151 4.480 -0.000 0.000 0.316 168 M C -0.578 175.772 176.300 0.083 0.000 1.200 168 M CA -0.925 54.430 55.300 0.092 0.000 0.944 168 M CB 2.553 35.167 32.600 0.023 0.000 1.691 168 M HN 0.459 nan 8.290 nan 0.000 0.471 169 I N 0.108 120.745 120.570 0.112 0.000 2.465 169 I HA 0.643 4.813 4.170 -0.000 0.000 0.291 169 I C -1.638 174.513 176.117 0.057 0.000 1.014 169 I CA -1.085 60.274 61.300 0.098 0.000 1.093 169 I CB 1.474 39.555 38.000 0.136 0.000 1.267 169 I HN 0.421 nan 8.210 nan 0.000 0.431 170 L N 7.290 128.490 121.223 -0.039 0.000 2.342 170 L HA 0.514 4.854 4.340 -0.000 0.000 0.276 170 L C -2.389 174.410 176.870 -0.119 0.000 0.997 170 L CA -1.358 53.391 54.840 -0.151 0.000 0.838 170 L CB 1.636 43.497 42.059 -0.331 0.000 1.224 170 L HN 0.419 nan 8.230 nan 0.000 0.416 171 P HA 0.075 nan 4.420 nan 0.000 0.225 171 P C 1.157 178.440 177.300 -0.028 0.000 1.813 171 P CA -0.132 62.927 63.100 -0.069 0.000 1.013 171 P CB 0.226 31.876 31.700 -0.083 0.000 1.961 172 V N -1.105 118.728 119.914 -0.135 0.000 2.759 172 V HA -0.020 4.100 4.120 -0.000 0.000 0.256 172 V C 1.876 177.791 176.094 -0.298 0.000 1.080 172 V CA 2.028 64.179 62.300 -0.249 0.000 1.101 172 V CB -1.490 30.096 31.823 -0.395 0.000 0.698 172 V HN 0.321 nan 8.190 nan 0.000 0.477 173 G N -0.211 108.502 108.800 -0.145 0.000 2.985 173 G HA2 0.453 4.413 3.960 -0.000 0.000 0.209 173 G HA3 0.453 4.413 3.960 -0.000 0.000 0.209 173 G C 0.710 175.614 174.900 0.008 0.000 1.165 173 G CA 0.392 45.483 45.100 -0.015 0.000 0.776 173 G HN 0.871 nan 8.290 nan 0.000 0.541 174 A N 0.120 122.916 122.820 -0.040 0.000 2.429 174 A HA 0.386 4.706 4.320 -0.000 0.000 0.242 174 A C 1.369 178.840 177.584 -0.189 0.000 1.088 174 A CA -0.021 51.893 52.037 -0.205 0.000 0.784 174 A CB 0.527 19.259 19.000 -0.447 0.000 1.038 174 A HN 0.202 nan 8.150 nan 0.000 0.501 175 E N -0.287 119.775 120.200 -0.229 0.000 2.170 175 E HA 0.022 4.372 4.350 -0.000 0.000 0.191 175 E C 0.662 177.123 176.600 -0.231 0.000 0.981 175 E CA 1.335 57.653 56.400 -0.137 0.000 0.830 175 E CB 0.021 29.667 29.700 -0.091 0.000 0.775 175 E HN 0.779 nan 8.360 nan 0.000 0.470 176 S N -1.725 113.662 115.700 -0.521 0.000 2.727 176 S HA 0.242 4.712 4.470 -0.000 0.000 0.278 176 S C 0.337 174.358 174.600 -0.965 0.000 1.186 176 S CA -0.755 57.101 58.200 -0.573 0.000 0.836 176 S CB 0.230 63.316 63.200 -0.190 0.000 1.186 176 S HN 0.003 nan 8.310 nan 0.000 0.499 177 F N 1.496 121.113 119.950 -0.555 0.000 2.163 177 F HA 0.205 4.732 4.527 -0.000 0.000 0.297 177 F C 2.687 178.358 175.800 -0.215 0.000 1.094 177 F CA 1.722 59.541 58.000 -0.302 0.000 1.290 177 F CB -0.186 38.827 39.000 0.021 0.000 1.017 177 F HN 0.704 nan 8.300 nan 0.000 0.483 178 R N 0.232 120.713 120.500 -0.032 0.000 2.105 178 R HA -0.234 4.106 4.340 -0.000 0.000 0.239 178 R C 1.909 178.079 176.300 -0.216 0.000 1.135 178 R CA 2.202 58.266 56.100 -0.059 0.000 0.967 178 R CB -0.690 29.613 30.300 0.005 0.000 0.861 178 R HN 0.425 nan 8.270 nan 0.000 0.442 179 D N -0.581 119.650 120.400 -0.282 0.000 2.183 179 D HA -0.050 4.590 4.640 -0.000 0.000 0.203 179 D C 1.689 177.760 176.300 -0.381 0.000 0.969 179 D CA 1.126 54.952 54.000 -0.291 0.000 0.842 179 D CB 0.076 40.711 40.800 -0.276 0.000 0.957 179 D HN 0.364 nan 8.370 nan 0.000 0.484 180 A N 0.062 122.567 122.820 -0.524 0.000 2.019 180 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 180 A C 2.055 179.401 177.584 -0.397 0.000 1.164 180 A CA 1.003 52.751 52.037 -0.481 0.000 0.644 180 A CB -0.433 18.228 19.000 -0.564 0.000 0.805 180 A HN 0.232 nan 8.150 nan 0.000 0.449 181 M N -0.780 118.541 119.600 -0.466 0.000 2.132 181 M HA -0.051 4.429 4.480 -0.000 0.000 0.263 181 M C 2.174 178.259 176.300 -0.358 0.000 1.065 181 M CA 1.590 56.663 55.300 -0.379 0.000 1.122 181 M CB -1.197 31.232 32.600 -0.285 0.000 1.365 181 M HN 0.601 nan 8.290 nan 0.000 0.411 182 R N 0.146 120.476 120.500 -0.282 0.000 2.081 182 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 182 R C 2.084 178.225 176.300 -0.265 0.000 1.131 182 R CA 1.332 57.304 56.100 -0.214 0.000 0.960 182 R CB -0.178 30.034 30.300 -0.147 0.000 0.856 182 R HN 0.174 nan 8.270 nan 0.000 0.436 183 L N 0.190 121.184 121.223 -0.382 0.000 1.994 183 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 183 L C 2.537 179.161 176.870 -0.409 0.000 1.071 183 L CA 2.292 56.805 54.840 -0.544 0.000 0.745 183 L CB -1.132 40.510 42.059 -0.695 0.000 0.892 183 L HN 0.403 nan 8.230 nan 0.000 0.431 184 G N -1.448 107.056 108.800 -0.494 0.000 2.418 184 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 184 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 184 G C 1.685 176.134 174.900 -0.752 0.000 1.158 184 G CA 0.852 45.471 45.100 -0.802 0.000 0.771 184 G HN 0.511 nan 8.290 nan 0.000 0.545 185 A N 0.833 123.249 122.820 -0.673 0.000 1.902 185 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 185 A C 2.168 179.543 177.584 -0.347 0.000 1.181 185 A CA 1.900 53.612 52.037 -0.541 0.000 0.623 185 A CB -0.393 18.387 19.000 -0.368 0.000 0.818 185 A HN 0.449 nan 8.150 nan 0.000 0.443 186 E N -0.360 119.762 120.200 -0.131 0.000 2.051 186 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 186 E C 2.021 178.663 176.600 0.072 0.000 0.991 186 E CA 1.355 57.796 56.400 0.068 0.000 0.799 186 E CB -0.293 29.501 29.700 0.157 0.000 0.748 186 E HN 0.395 nan 8.360 nan 0.000 0.449 187 V N 0.860 120.794 119.914 0.032 0.000 2.343 187 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 187 V C 2.083 178.210 176.094 0.056 0.000 1.051 187 V CA 1.904 64.243 62.300 0.064 0.000 1.036 187 V CB -0.622 31.231 31.823 0.051 0.000 0.654 187 V HN 0.312 nan 8.190 nan 0.000 0.451 188 Y N 1.026 121.237 120.300 -0.149 0.000 2.128 188 Y HA -0.315 4.235 4.550 -0.000 0.000 0.284 188 Y C 2.567 178.506 175.900 0.065 0.000 1.154 188 Y CA 2.263 60.311 58.100 -0.087 0.000 1.149 188 Y CB -0.557 37.714 38.460 -0.315 0.000 0.976 188 Y HN 0.415 nan 8.280 nan 0.000 0.505 189 H N -1.556 117.597 119.070 0.139 0.000 2.353 189 H HA -0.147 4.409 4.556 -0.000 0.000 0.300 189 H C 2.109 177.409 175.328 -0.047 0.000 1.090 189 H CA 1.667 57.742 56.048 0.046 0.000 1.327 189 H CB -0.174 29.634 29.762 0.076 0.000 1.383 189 H HN 0.297 nan 8.280 nan 0.000 0.508 190 T N 1.231 115.840 114.554 0.091 0.000 2.708 190 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 190 T C 1.999 176.661 174.700 -0.063 0.000 1.037 190 T CA 1.081 63.188 62.100 0.012 0.000 1.146 190 T CB -0.369 68.512 68.868 0.022 0.000 0.865 190 T HN 0.104 nan 8.240 nan 0.000 0.435 191 L N 1.530 122.709 121.223 -0.073 0.000 2.081 191 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 191 L C 2.315 178.959 176.870 -0.377 0.000 1.080 191 L CA 1.828 56.583 54.840 -0.143 0.000 0.754 191 L CB -0.558 41.478 42.059 -0.038 0.000 0.893 191 L HN 0.129 nan 8.230 nan 0.000 0.433 192 K N -1.087 119.012 120.400 -0.501 0.000 2.057 192 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 192 K C 1.976 178.329 176.600 -0.411 0.000 1.049 192 K CA 1.346 57.164 56.287 -0.781 0.000 0.931 192 K CB -0.545 31.681 32.500 -0.456 0.000 0.714 192 K HN 0.498 nan 8.250 nan 0.000 0.440 193 G N 0.292 108.954 108.800 -0.230 0.000 2.402 193 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 193 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 193 G C 1.462 176.273 174.900 -0.148 0.000 1.162 193 G CA 0.765 45.773 45.100 -0.153 0.000 0.777 193 G HN 0.192 nan 8.290 nan 0.000 0.539 194 V N 1.240 121.065 119.914 -0.149 0.000 2.407 194 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 194 V C 2.752 178.772 176.094 -0.122 0.000 1.055 194 V CA 1.499 63.727 62.300 -0.121 0.000 1.049 194 V CB -0.332 31.431 31.823 -0.099 0.000 0.662 194 V HN 0.404 nan 8.190 nan 0.000 0.455 195 I N -0.326 120.145 120.570 -0.164 0.000 2.286 195 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 195 I C 2.545 178.618 176.117 -0.075 0.000 1.104 195 I CA 1.491 62.736 61.300 -0.091 0.000 1.397 195 I CB -0.453 37.406 38.000 -0.234 0.000 1.072 195 I HN 0.269 nan 8.210 nan 0.000 0.417 196 K N 1.224 121.535 120.400 -0.148 0.000 2.032 196 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 196 K C 1.497 178.049 176.600 -0.080 0.000 1.048 196 K CA 2.019 58.243 56.287 -0.105 0.000 0.927 196 K CB -0.024 32.404 32.500 -0.119 0.000 0.712 196 K HN 0.202 nan 8.250 nan 0.000 0.441 197 D N 0.016 120.357 120.400 -0.098 0.000 2.312 197 D HA -0.092 4.548 4.640 -0.000 0.000 0.211 197 D C 1.584 177.804 176.300 -0.134 0.000 0.964 197 D CA 0.908 54.848 54.000 -0.099 0.000 0.877 197 D CB 0.268 41.011 40.800 -0.094 0.000 0.924 197 D HN 0.330 nan 8.370 nan 0.000 0.515 198 K N -0.959 119.335 120.400 -0.176 0.000 2.350 198 K HA 0.023 4.343 4.320 -0.000 0.000 0.196 198 K C 0.767 177.073 176.600 -0.490 0.000 1.084 198 K CA 0.205 56.284 56.287 -0.347 0.000 0.967 198 K CB 0.471 32.711 32.500 -0.434 0.000 0.950 198 K HN 0.054 nan 8.250 nan 0.000 0.512 199 Y N -0.125 120.127 120.300 -0.080 0.000 2.527 199 Y HA 0.302 4.852 4.550 -0.000 0.000 0.247 199 Y C 0.334 176.196 175.900 -0.062 0.000 1.138 199 Y CA -0.002 58.057 58.100 -0.069 0.000 1.228 199 Y CB 2.008 40.423 38.460 -0.075 0.000 1.252 199 Y HN 0.223 nan 8.280 nan 0.000 0.531 200 G N 0.357 109.181 108.800 0.041 0.000 2.619 200 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.686 200 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.686 200 G C 0.465 175.363 174.900 -0.004 0.000 1.256 200 G CA -0.238 44.869 45.100 0.012 0.000 0.826 200 G HN 0.201 nan 8.290 nan 0.000 0.619 201 K N -0.026 120.366 120.400 -0.014 0.000 2.103 201 K HA 0.008 4.328 4.320 -0.000 0.000 0.204 201 K C 2.167 178.763 176.600 -0.007 0.000 1.052 201 K CA 2.183 58.457 56.287 -0.021 0.000 0.945 201 K CB -0.673 31.816 32.500 -0.017 0.000 0.722 201 K HN 1.218 nan 8.250 nan 0.000 0.443 202 D N -0.303 120.099 120.400 0.004 0.000 2.403 202 D HA 0.044 4.684 4.640 -0.000 0.000 0.227 202 D C 1.008 177.316 176.300 0.013 0.000 0.995 202 D CA 0.979 54.986 54.000 0.011 0.000 0.928 202 D CB -0.015 40.791 40.800 0.011 0.000 0.887 202 D HN 0.381 nan 8.370 nan 0.000 0.529 203 A N 0.453 123.276 122.820 0.005 0.000 2.564 203 A HA 0.205 4.525 4.320 -0.000 0.000 0.279 203 A C 1.423 179.000 177.584 -0.011 0.000 1.232 203 A CA -0.023 52.012 52.037 -0.002 0.000 0.950 203 A CB -0.079 18.916 19.000 -0.007 0.000 1.138 203 A HN 0.250 nan 8.150 nan 0.000 0.526 204 T N -2.745 111.809 114.554 -0.000 0.000 3.145 204 T HA 0.182 4.532 4.350 -0.000 0.000 0.255 204 T C 0.281 175.118 174.700 0.228 0.000 1.039 204 T CA -0.474 61.624 62.100 -0.002 0.000 0.928 204 T CB -0.320 68.497 68.868 -0.084 0.000 1.029 204 T HN 0.139 nan 8.240 nan 0.000 0.554 205 N N 2.062 120.873 118.700 0.184 0.000 2.445 205 N HA 0.479 5.219 4.740 -0.000 0.000 0.264 205 N C -0.054 175.593 175.510 0.229 0.000 1.227 205 N CA -0.505 52.656 53.050 0.185 0.000 0.963 205 N CB 1.584 40.135 38.487 0.107 0.000 1.188 205 N HN 0.364 nan 8.380 nan 0.000 0.491 206 V N -2.173 117.829 119.914 0.147 0.000 2.881 206 V HA 0.930 5.050 4.120 -0.000 0.000 0.316 206 V C 0.784 176.916 176.094 0.064 0.000 1.070 206 V CA -0.729 61.618 62.300 0.078 0.000 0.976 206 V CB 1.130 32.961 31.823 0.013 0.000 1.038 206 V HN 0.577 nan 8.190 nan 0.000 0.446 207 G N 0.568 109.400 108.800 0.054 0.000 2.543 207 G HA2 0.316 4.276 3.960 -0.000 0.000 0.267 207 G HA3 0.316 4.276 3.960 -0.000 0.000 0.267 207 G C 0.174 175.090 174.900 0.027 0.000 1.406 207 G CA 0.104 45.239 45.100 0.060 0.000 1.048 207 G HN 0.755 nan 8.290 nan 0.000 0.548 208 D N -0.062 120.341 120.400 0.006 0.000 2.182 208 D HA -0.078 4.562 4.640 -0.000 0.000 0.201 208 D C 1.759 178.014 176.300 -0.075 0.000 0.986 208 D CA 1.054 55.017 54.000 -0.061 0.000 0.847 208 D CB 0.205 40.911 40.800 -0.157 0.000 0.942 208 D HN 0.580 nan 8.370 nan 0.000 0.467 209 E N -0.651 119.521 120.200 -0.047 0.000 2.465 209 E HA 0.286 4.636 4.350 -0.000 0.000 0.195 209 E C 1.095 177.716 176.600 0.035 0.000 1.028 209 E CA 0.201 56.612 56.400 0.018 0.000 0.899 209 E CB 0.860 30.609 29.700 0.082 0.000 1.032 209 E HN 0.231 nan 8.360 nan 0.000 0.468 210 G N 1.450 110.249 108.800 -0.002 0.000 2.176 210 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.253 210 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.253 210 G C 0.603 175.443 174.900 -0.100 0.000 0.979 210 G CA -0.121 44.947 45.100 -0.052 0.000 0.641 210 G HN 0.486 nan 8.290 nan 0.000 0.530 211 G N -0.451 108.328 108.800 -0.034 0.000 2.507 211 G HA2 0.569 4.529 3.960 -0.000 0.000 0.271 211 G HA3 0.569 4.529 3.960 -0.000 0.000 0.271 211 G C -0.025 174.803 174.900 -0.120 0.000 1.189 211 G CA -0.712 44.362 45.100 -0.043 0.000 0.859 211 G HN 0.308 nan 8.290 nan 0.000 0.542 212 F N 0.172 120.210 119.950 0.148 0.000 2.429 212 F HA 0.422 4.949 4.527 -0.000 0.000 0.348 212 F C 0.943 176.762 175.800 0.031 0.000 1.109 212 F CA -0.094 57.936 58.000 0.050 0.000 1.232 212 F CB 1.502 40.479 39.000 -0.039 0.000 1.157 212 F HN 0.458 nan 8.300 nan 0.000 0.564 213 A N 4.767 127.709 122.820 0.203 0.000 2.923 213 A HA 0.436 4.756 4.320 -0.000 0.000 0.343 213 A C -2.424 175.174 177.584 0.024 0.000 1.199 213 A CA -1.462 50.632 52.037 0.095 0.000 0.878 213 A CB -0.656 18.393 19.000 0.081 0.000 1.104 213 A HN 0.420 nan 8.150 nan 0.000 0.483 214 P HA 0.156 nan 4.420 nan 0.000 0.274 214 P C -0.671 176.509 177.300 -0.200 0.000 1.256 214 P CA -0.361 62.638 63.100 -0.170 0.000 0.795 214 P CB 0.606 32.117 31.700 -0.315 0.000 1.038 215 N N 0.764 119.316 118.700 -0.247 0.000 3.034 215 N HA 0.352 5.092 4.740 -0.000 0.000 0.265 215 N C 0.172 175.533 175.510 -0.249 0.000 1.166 215 N CA -0.490 52.446 53.050 -0.190 0.000 1.081 215 N CB -0.713 37.702 38.487 -0.120 0.000 1.378 215 N HN 0.385 nan 8.380 nan 0.000 0.520 216 I N -3.538 116.888 120.570 -0.240 0.000 3.322 216 I HA 0.579 4.749 4.170 -0.000 0.000 0.313 216 I C -0.343 175.699 176.117 -0.125 0.000 1.129 216 I CA -1.183 59.991 61.300 -0.211 0.000 0.963 216 I CB 1.542 39.367 38.000 -0.290 0.000 1.273 216 I HN 0.129 nan 8.210 nan 0.000 0.473 217 L N 0.809 121.980 121.223 -0.086 0.000 2.678 217 L HA 0.334 4.674 4.340 -0.000 0.000 0.211 217 L C 0.679 177.531 176.870 -0.029 0.000 1.043 217 L CA 0.882 55.690 54.840 -0.054 0.000 0.881 217 L CB 0.370 42.407 42.059 -0.036 0.000 1.361 217 L HN 0.636 nan 8.230 nan 0.000 0.484 218 E N 0.832 121.021 120.200 -0.019 0.000 2.529 218 E HA -0.090 4.260 4.350 -0.000 0.000 0.259 218 E C 0.707 177.303 176.600 -0.006 0.000 0.966 218 E CA 0.708 57.117 56.400 0.016 0.000 0.937 218 E CB 0.307 30.023 29.700 0.028 0.000 0.923 218 E HN 0.462 nan 8.360 nan 0.000 0.468 219 N N 0.753 119.505 118.700 0.086 0.000 2.409 219 N HA -0.121 4.619 4.740 -0.000 0.000 0.179 219 N C 1.790 177.217 175.510 -0.139 0.000 1.032 219 N CA 0.848 53.960 53.050 0.103 0.000 0.898 219 N CB 0.106 38.797 38.487 0.340 0.000 0.971 219 N HN 0.493 nan 8.380 nan 0.000 0.441 220 S N 0.296 115.980 115.700 -0.027 0.000 2.436 220 S HA -0.043 4.427 4.470 -0.000 0.000 0.228 220 S C 1.812 176.313 174.600 -0.165 0.000 1.014 220 S CA 0.567 58.711 58.200 -0.094 0.000 0.950 220 S CB 0.004 63.374 63.200 0.283 0.000 0.784 220 S HN 0.167 nan 8.310 nan 0.000 0.504 221 E N 2.728 122.850 120.200 -0.130 0.000 2.051 221 E HA 0.024 4.374 4.350 -0.000 0.000 0.192 221 E C 2.068 178.501 176.600 -0.279 0.000 0.991 221 E CA 1.487 57.812 56.400 -0.126 0.000 0.799 221 E CB -0.896 28.762 29.700 -0.070 0.000 0.748 221 E HN 0.550 nan 8.360 nan 0.000 0.449 222 A N 0.446 122.969 122.820 -0.496 0.000 1.940 222 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 222 A C 2.328 179.479 177.584 -0.722 0.000 1.176 222 A CA 1.463 53.026 52.037 -0.789 0.000 0.631 222 A CB -0.727 17.260 19.000 -1.688 0.000 0.814 222 A HN 0.358 nan 8.150 nan 0.000 0.446 223 L N -1.177 119.602 121.223 -0.739 0.000 2.156 223 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 223 L C 2.593 178.984 176.870 -0.797 0.000 1.095 223 L CA 1.495 55.834 54.840 -0.834 0.000 0.770 223 L CB -0.295 40.952 42.059 -1.352 0.000 0.914 223 L HN 0.448 nan 8.230 nan 0.000 0.439 224 E N 0.613 120.522 120.200 -0.486 0.000 2.072 224 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 224 E C 2.188 178.735 176.600 -0.088 0.000 0.982 224 E CA 1.046 57.376 56.400 -0.116 0.000 0.803 224 E CB -0.130 29.588 29.700 0.030 0.000 0.755 224 E HN 0.314 nan 8.360 nan 0.000 0.453 225 L N -0.450 120.694 121.223 -0.131 0.000 1.989 225 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 225 L C 2.419 179.247 176.870 -0.070 0.000 1.071 225 L CA 1.207 55.997 54.840 -0.083 0.000 0.749 225 L CB -0.566 41.438 42.059 -0.092 0.000 0.890 225 L HN 0.095 nan 8.230 nan 0.000 0.431 226 V N -0.381 119.471 119.914 -0.104 0.000 2.287 226 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 226 V C 2.760 178.850 176.094 -0.007 0.000 1.053 226 V CA 2.104 64.380 62.300 -0.041 0.000 1.027 226 V CB -0.676 31.123 31.823 -0.040 0.000 0.646 226 V HN 0.408 nan 8.190 nan 0.000 0.447 227 K N -0.052 120.338 120.400 -0.017 0.000 2.103 227 K HA -0.251 4.069 4.320 -0.000 0.000 0.207 227 K C 2.181 178.815 176.600 0.056 0.000 1.048 227 K CA 2.148 58.473 56.287 0.064 0.000 0.930 227 K CB -0.372 32.228 32.500 0.166 0.000 0.716 227 K HN 0.801 nan 8.250 nan 0.000 0.444 228 E N -0.556 119.661 120.200 0.028 0.000 2.028 228 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 228 E C 2.054 178.659 176.600 0.009 0.000 0.988 228 E CA 1.250 57.660 56.400 0.016 0.000 0.799 228 E CB -0.506 29.192 29.700 -0.003 0.000 0.755 228 E HN 0.476 nan 8.360 nan 0.000 0.447 229 A N 1.088 123.911 122.820 0.005 0.000 1.892 229 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 229 A C 2.259 179.867 177.584 0.039 0.000 1.188 229 A CA 1.766 53.809 52.037 0.010 0.000 0.631 229 A CB -0.853 18.154 19.000 0.011 0.000 0.822 229 A HN 0.407 nan 8.150 nan 0.000 0.447 230 I N -0.047 120.559 120.570 0.060 0.000 2.127 230 I HA -0.276 3.894 4.170 -0.000 0.000 0.241 230 I C 1.953 178.117 176.117 0.078 0.000 1.075 230 I CA 1.753 63.113 61.300 0.100 0.000 1.334 230 I CB -0.549 37.513 38.000 0.103 0.000 1.040 230 I HN 0.277 nan 8.210 nan 0.000 0.405 231 D N 0.708 121.137 120.400 0.048 0.000 2.117 231 D HA -0.204 4.436 4.640 -0.000 0.000 0.198 231 D C 2.044 178.332 176.300 -0.020 0.000 0.982 231 D CA 1.119 55.130 54.000 0.019 0.000 0.828 231 D CB -0.323 40.492 40.800 0.024 0.000 0.967 231 D HN 0.255 nan 8.370 nan 0.000 0.464 232 K N 0.437 120.828 120.400 -0.015 0.000 2.280 232 K HA -0.020 4.300 4.320 -0.000 0.000 0.202 232 K C 1.583 178.147 176.600 -0.060 0.000 1.047 232 K CA 1.006 57.273 56.287 -0.035 0.000 0.942 232 K CB 0.067 32.551 32.500 -0.027 0.000 0.739 232 K HN 0.056 nan 8.250 nan 0.000 0.457 233 A N 0.101 122.886 122.820 -0.058 0.000 2.238 233 A HA 0.235 4.555 4.320 -0.000 0.000 0.210 233 A C 1.002 178.341 177.584 -0.408 0.000 1.179 233 A CA 0.568 52.534 52.037 -0.119 0.000 0.827 233 A CB -0.082 18.957 19.000 0.064 0.000 0.856 233 A HN 0.424 nan 8.150 nan 0.000 0.488 234 G N -1.414 107.206 108.800 -0.300 0.000 2.289 234 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.280 234 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.280 234 G C -0.066 174.532 174.900 -0.503 0.000 1.089 234 G CA 0.469 45.348 45.100 -0.369 0.000 0.939 234 G HN 0.644 nan 8.290 nan 0.000 0.499 235 Y N -1.007 119.298 120.300 0.008 0.000 2.712 235 Y HA 0.212 4.762 4.550 -0.000 0.000 0.250 235 Y C 2.139 178.055 175.900 0.027 0.000 1.101 235 Y CA 0.124 58.232 58.100 0.012 0.000 1.118 235 Y CB 0.719 39.179 38.460 0.000 0.000 1.203 235 Y HN 0.250 nan 8.280 nan 0.000 0.587 236 T N -0.336 114.298 114.554 0.134 0.000 2.833 236 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 236 T C 1.375 176.146 174.700 0.117 0.000 1.054 236 T CA 1.365 63.531 62.100 0.109 0.000 1.135 236 T CB -0.010 68.900 68.868 0.070 0.000 0.869 236 T HN 0.298 nan 8.240 nan 0.000 0.466 237 E N 0.501 120.775 120.200 0.125 0.000 2.419 237 E HA 0.151 4.501 4.350 -0.000 0.000 0.190 237 E C 1.070 177.766 176.600 0.160 0.000 1.040 237 E CA 0.170 56.646 56.400 0.127 0.000 0.900 237 E CB 0.384 30.145 29.700 0.102 0.000 1.054 237 E HN 0.531 nan 8.360 nan 0.000 0.462 238 K N -0.410 120.086 120.400 0.161 0.000 2.585 238 K HA 0.302 4.622 4.320 -0.000 0.000 0.210 238 K C 0.595 177.225 176.600 0.051 0.000 1.504 238 K CA 0.136 56.496 56.287 0.121 0.000 1.029 238 K CB 1.522 34.086 32.500 0.107 0.000 1.332 238 K HN -0.058 nan 8.250 nan 0.000 0.569 239 I N 3.082 123.693 120.570 0.068 0.000 2.406 239 I HA 0.225 4.395 4.170 -0.000 0.000 0.290 239 I C -0.047 176.102 176.117 0.053 0.000 0.999 239 I CA -1.177 60.139 61.300 0.027 0.000 1.124 239 I CB 1.892 39.907 38.000 0.026 0.000 1.289 239 I HN -0.214 nan 8.210 nan 0.000 0.441 240 V N 4.281 124.206 119.914 0.018 0.000 3.234 240 V HA 0.637 4.757 4.120 -0.000 0.000 0.317 240 V C -0.283 175.825 176.094 0.023 0.000 1.147 240 V CA -0.846 61.477 62.300 0.039 0.000 1.037 240 V CB 2.193 34.041 31.823 0.041 0.000 1.148 240 V HN 0.518 nan 8.190 nan 0.000 0.455 241 I N 0.625 121.224 120.570 0.047 0.000 2.562 241 I HA 0.798 4.968 4.170 -0.000 0.000 0.301 241 I C 0.513 176.643 176.117 0.023 0.000 1.003 241 I CA -0.276 61.050 61.300 0.044 0.000 1.127 241 I CB 1.849 39.891 38.000 0.070 0.000 1.304 241 I HN 0.984 nan 8.210 nan 0.000 0.446 242 G N 5.952 114.752 108.800 0.000 0.000 2.619 242 G HA2 0.844 4.804 3.960 -0.000 0.000 0.296 242 G HA3 0.844 4.804 3.960 -0.000 0.000 0.296 242 G C -1.125 173.734 174.900 -0.069 0.000 1.334 242 G CA -0.654 44.429 45.100 -0.029 0.000 0.934 242 G HN 0.592 nan 8.290 nan 0.000 0.476 243 M N 0.084 119.607 119.600 -0.128 0.000 2.603 243 M HA 0.611 5.091 4.480 -0.000 0.000 0.275 243 M C -2.535 173.611 176.300 -0.255 0.000 1.226 243 M CA -0.921 54.225 55.300 -0.256 0.000 0.870 243 M CB 2.752 35.111 32.600 -0.403 0.000 1.716 243 M HN 0.410 nan 8.290 nan 0.000 0.482 244 D N 1.612 121.839 120.400 -0.289 0.000 2.454 244 D HA 0.473 5.113 4.640 -0.000 0.000 0.247 244 D C 0.321 176.474 176.300 -0.244 0.000 1.129 244 D CA -0.505 53.363 54.000 -0.220 0.000 0.877 244 D CB 1.849 42.577 40.800 -0.120 0.000 1.082 244 D HN 0.469 nan 8.370 nan 0.000 0.537 245 V N 3.458 123.218 119.914 -0.256 0.000 2.343 245 V HA -0.076 4.044 4.120 -0.000 0.000 0.247 245 V C 1.621 177.707 176.094 -0.014 0.000 1.051 245 V CA 1.309 63.528 62.300 -0.136 0.000 1.036 245 V CB -1.163 30.557 31.823 -0.171 0.000 0.654 245 V HN 0.940 nan 8.190 nan 0.000 0.451 246 A N -0.472 122.277 122.820 -0.118 0.000 2.800 246 A HA -0.181 4.139 4.320 -0.000 0.000 0.292 246 A C 1.604 179.030 177.584 -0.264 0.000 1.474 246 A CA 1.106 53.068 52.037 -0.126 0.000 0.744 246 A CB -1.734 17.212 19.000 -0.090 0.000 1.044 246 A HN 1.193 nan 8.150 nan 0.000 0.489 247 A N -0.159 122.375 122.820 -0.476 0.000 1.958 247 A HA -0.065 4.255 4.320 -0.000 0.000 0.221 247 A C 2.397 179.430 177.584 -0.917 0.000 1.178 247 A CA 2.516 53.846 52.037 -1.178 0.000 0.642 247 A CB -0.803 17.718 19.000 -0.800 0.000 0.816 247 A HN 1.537 nan 8.150 nan 0.000 0.453 248 S N -0.474 114.985 115.700 -0.402 0.000 2.440 248 S HA -0.133 4.337 4.470 -0.000 0.000 0.238 248 S C 1.753 176.211 174.600 -0.236 0.000 1.010 248 S CA 1.199 59.262 58.200 -0.229 0.000 0.972 248 S CB -0.247 62.875 63.200 -0.130 0.000 0.774 248 S HN 0.582 nan 8.310 nan 0.000 0.501 249 E N 0.595 120.593 120.200 -0.338 0.000 2.274 249 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 249 E C 0.599 176.909 176.600 -0.484 0.000 0.996 249 E CA 0.632 56.838 56.400 -0.323 0.000 0.840 249 E CB 0.014 29.542 29.700 -0.286 0.000 0.772 249 E HN 0.810 nan 8.360 nan 0.000 0.491 250 F N -2.187 117.500 119.950 -0.437 0.000 2.835 250 F HA 0.295 4.822 4.527 -0.000 0.000 0.342 250 F C -0.298 175.478 175.800 -0.041 0.000 1.202 250 F CA -1.357 56.411 58.000 -0.387 0.000 1.240 250 F CB -0.628 38.101 39.000 -0.452 0.000 1.005 250 F HN -0.285 nan 8.300 nan 0.000 0.507 251 Y N 2.762 122.935 120.300 -0.212 0.000 2.336 251 Y HA 0.674 5.224 4.550 -0.000 0.000 0.335 251 Y C -0.329 175.520 175.900 -0.086 0.000 1.046 251 Y CA -0.941 57.056 58.100 -0.172 0.000 1.198 251 Y CB 0.684 39.047 38.460 -0.163 0.000 1.182 251 Y HN 0.268 nan 8.280 nan 0.000 0.502 252 R N 3.126 123.339 120.500 -0.479 0.000 2.569 252 R HA 0.245 4.585 4.340 -0.000 0.000 0.293 252 R C -1.077 175.056 176.300 -0.278 0.000 1.186 252 R CA -0.194 55.760 56.100 -0.244 0.000 0.956 252 R CB 1.107 31.440 30.300 0.055 0.000 1.196 252 R HN 0.769 nan 8.270 nan 0.000 0.444 253 D N 1.622 121.831 120.400 -0.319 0.000 2.746 253 D HA -0.138 4.502 4.640 -0.000 0.000 0.241 253 D C 0.914 177.030 176.300 -0.306 0.000 1.140 253 D CA 1.107 54.975 54.000 -0.220 0.000 0.707 253 D CB -1.153 39.603 40.800 -0.073 0.000 1.034 253 D HN 1.165 nan 8.370 nan 0.000 0.423 254 G N -0.229 108.217 108.800 -0.591 0.000 2.258 254 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.274 254 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.274 254 G C -0.007 174.670 174.900 -0.371 0.000 1.021 254 G CA 0.998 45.864 45.100 -0.391 0.000 0.798 254 G HN 0.834 nan 8.290 nan 0.000 0.507 255 K N -1.031 119.021 120.400 -0.579 0.000 2.535 255 K HA 0.422 4.742 4.320 -0.000 0.000 0.251 255 K C -1.159 175.213 176.600 -0.380 0.000 0.942 255 K CA -0.950 55.161 56.287 -0.293 0.000 0.798 255 K CB 1.590 34.128 32.500 0.063 0.000 1.267 255 K HN 0.077 nan 8.250 nan 0.000 0.434 256 Y N 1.112 121.458 120.300 0.077 0.000 2.365 256 Y HA 0.137 4.687 4.550 -0.000 0.000 0.340 256 Y C 0.149 176.101 175.900 0.086 0.000 1.016 256 Y CA -0.465 57.753 58.100 0.196 0.000 1.196 256 Y CB 0.732 39.397 38.460 0.341 0.000 1.167 256 Y HN 0.525 nan 8.280 nan 0.000 0.509 257 D N 3.537 124.059 120.400 0.203 0.000 2.329 257 D HA 0.249 4.889 4.640 -0.000 0.000 0.232 257 D C -0.172 176.053 176.300 -0.127 0.000 1.088 257 D CA -0.264 53.617 54.000 -0.199 0.000 0.835 257 D CB 0.773 41.238 40.800 -0.559 0.000 1.078 257 D HN 0.575 nan 8.370 nan 0.000 0.495 258 L N 3.262 124.379 121.223 -0.178 0.000 2.777 258 L HA 0.233 4.573 4.340 -0.000 0.000 0.244 258 L C 0.202 177.005 176.870 -0.112 0.000 1.235 258 L CA 0.262 54.940 54.840 -0.270 0.000 1.062 258 L CB -0.188 41.776 42.059 -0.158 0.000 1.340 258 L HN 0.425 nan 8.230 nan 0.000 0.439 259 D N -1.168 119.225 120.400 -0.011 0.000 3.888 259 D HA -0.017 4.623 4.640 -0.000 0.000 0.271 259 D C 0.862 177.193 176.300 0.051 0.000 1.399 259 D CA -0.346 53.651 54.000 -0.004 0.000 0.775 259 D CB -0.033 40.766 40.800 -0.003 0.000 1.356 259 D HN 0.107 nan 8.370 nan 0.000 0.753 260 F N 0.230 120.157 119.950 -0.038 0.000 2.325 260 F HA 0.266 4.793 4.527 -0.000 0.000 0.299 260 F C 1.504 177.328 175.800 0.040 0.000 1.090 260 F CA 0.557 58.576 58.000 0.032 0.000 1.392 260 F CB -0.381 38.675 39.000 0.093 0.000 1.053 260 F HN -0.080 nan 8.300 nan 0.000 0.521 261 K N 0.627 120.565 120.400 -0.770 0.000 2.555 261 K HA 0.116 4.436 4.320 -0.000 0.000 0.193 261 K C 0.060 176.529 176.600 -0.217 0.000 1.032 261 K CA 0.275 56.237 56.287 -0.541 0.000 1.004 261 K CB -0.101 32.017 32.500 -0.637 0.000 0.804 261 K HN 0.214 nan 8.250 nan 0.000 0.496 262 S N 1.202 116.824 115.700 -0.130 0.000 2.578 262 S HA 0.350 4.819 4.470 -0.000 0.000 0.301 262 S C -2.585 172.021 174.600 0.009 0.000 1.091 262 S CA -1.462 56.708 58.200 -0.049 0.000 1.032 262 S CB 1.621 64.800 63.200 -0.035 0.000 1.064 262 S HN -0.109 nan 8.310 nan 0.000 0.508 263 P HA 0.071 nan 4.420 nan 0.000 0.257 263 P C 0.020 177.361 177.300 0.068 0.000 1.162 263 P CA 0.613 63.736 63.100 0.039 0.000 0.762 263 P CB -0.554 31.161 31.700 0.026 0.000 0.753 264 T N 1.804 116.412 114.554 0.090 0.000 2.830 264 T HA 0.006 4.356 4.350 -0.000 0.000 0.282 264 T C 0.294 175.055 174.700 0.101 0.000 1.024 264 T CA 0.782 62.959 62.100 0.129 0.000 1.144 264 T CB -0.338 68.595 68.868 0.108 0.000 1.035 264 T HN 0.391 nan 8.240 nan 0.000 0.507 265 D N 3.632 124.121 120.400 0.150 0.000 2.445 265 D HA 0.343 4.983 4.640 -0.000 0.000 0.236 265 D C -2.188 174.111 176.300 -0.001 0.000 1.315 265 D CA -1.728 52.314 54.000 0.069 0.000 0.924 265 D CB 1.384 42.235 40.800 0.085 0.000 1.447 265 D HN 0.100 nan 8.370 nan 0.000 0.532 266 P HA -0.149 nan 4.420 nan 0.000 0.222 266 P C 1.399 178.440 177.300 -0.432 0.000 1.142 266 P CA 0.803 63.358 63.100 -0.907 0.000 0.788 266 P CB 0.416 31.768 31.700 -0.580 0.000 0.767 267 S N 0.314 115.935 115.700 -0.131 0.000 2.368 267 S HA -0.159 4.311 4.470 -0.000 0.000 0.225 267 S C 1.280 175.932 174.600 0.086 0.000 1.030 267 S CA 0.690 58.879 58.200 -0.020 0.000 0.999 267 S CB -0.548 62.653 63.200 0.001 0.000 0.844 267 S HN 0.207 nan 8.310 nan 0.000 0.459 268 R N 0.308 120.921 120.500 0.189 0.000 4.390 268 R HA 0.283 4.623 4.340 -0.000 0.000 0.229 268 R C -1.337 175.215 176.300 0.421 0.000 1.674 268 R CA -0.348 55.895 56.100 0.238 0.000 1.526 268 R CB -0.560 29.840 30.300 0.168 0.000 1.418 268 R HN 0.264 nan 8.270 nan 0.000 0.790 269 Y N 1.514 121.839 120.300 0.041 0.000 2.485 269 Y HA 0.509 5.059 4.550 -0.000 0.000 0.345 269 Y C 0.335 176.270 175.900 0.059 0.000 0.998 269 Y CA -2.159 55.974 58.100 0.055 0.000 1.059 269 Y CB 1.816 40.294 38.460 0.030 0.000 1.234 269 Y HN 0.299 nan 8.280 nan 0.000 0.461 270 I N -0.637 120.043 120.570 0.182 0.000 2.785 270 I HA 0.814 4.984 4.170 -0.000 0.000 0.302 270 I C -0.159 176.067 176.117 0.181 0.000 1.069 270 I CA -0.983 60.407 61.300 0.151 0.000 1.045 270 I CB 2.392 40.459 38.000 0.113 0.000 1.236 270 I HN 0.588 nan 8.210 nan 0.000 0.429 271 T N 0.815 115.462 114.554 0.155 0.000 2.874 271 T HA 0.379 4.729 4.350 -0.000 0.000 0.281 271 T C 1.231 176.104 174.700 0.288 0.000 0.994 271 T CA -0.090 62.111 62.100 0.169 0.000 1.015 271 T CB 1.359 70.289 68.868 0.105 0.000 1.028 271 T HN 0.906 nan 8.240 nan 0.000 0.523 272 G N 0.016 109.037 108.800 0.368 0.000 2.462 272 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.220 272 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.220 272 G C 1.183 176.219 174.900 0.226 0.000 1.121 272 G CA 0.512 45.917 45.100 0.507 0.000 0.758 272 G HN 0.847 nan 8.290 nan 0.000 0.559 273 D N 0.257 120.730 120.400 0.122 0.000 2.117 273 D HA -0.084 4.556 4.640 -0.000 0.000 0.198 273 D C 2.631 178.956 176.300 0.041 0.000 0.982 273 D CA 0.930 54.967 54.000 0.061 0.000 0.828 273 D CB 0.025 40.852 40.800 0.046 0.000 0.967 273 D HN 0.420 nan 8.370 nan 0.000 0.464 274 Q N 0.277 120.104 119.800 0.044 0.000 2.016 274 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 274 Q C 2.336 178.267 176.000 -0.115 0.000 0.978 274 Q CA 0.613 56.409 55.803 -0.013 0.000 0.833 274 Q CB -0.188 28.562 28.738 0.020 0.000 0.895 274 Q HN 0.129 nan 8.270 nan 0.000 0.427 275 L N 0.786 121.948 121.223 -0.101 0.000 2.051 275 L HA -0.160 4.180 4.340 -0.000 0.000 0.214 275 L C 2.077 178.448 176.870 -0.832 0.000 1.076 275 L CA 2.306 56.918 54.840 -0.381 0.000 0.758 275 L CB -0.906 41.010 42.059 -0.238 0.000 0.890 275 L HN 0.260 nan 8.230 nan 0.000 0.433 276 G N -1.720 106.864 108.800 -0.361 0.000 2.422 276 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 276 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 276 G C 1.586 176.349 174.900 -0.228 0.000 1.140 276 G CA 0.632 45.558 45.100 -0.290 0.000 0.775 276 G HN 0.632 nan 8.290 nan 0.000 0.545 277 A N 0.455 123.161 122.820 -0.189 0.000 1.933 277 A HA 0.078 4.397 4.320 -0.000 0.000 0.218 277 A C 2.300 179.740 177.584 -0.240 0.000 1.175 277 A CA 1.480 53.442 52.037 -0.125 0.000 0.628 277 A CB -0.371 18.574 19.000 -0.091 0.000 0.814 277 A HN 0.377 nan 8.150 nan 0.000 0.444 278 L N -1.220 119.729 121.223 -0.457 0.000 2.046 278 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 278 L C 2.300 178.659 176.870 -0.852 0.000 1.077 278 L CA 1.846 56.278 54.840 -0.682 0.000 0.747 278 L CB -0.777 40.829 42.059 -0.756 0.000 0.896 278 L HN 0.493 nan 8.230 nan 0.000 0.432 279 Y N -0.757 119.253 120.300 -0.484 0.000 2.181 279 Y HA -0.192 4.358 4.550 -0.000 0.000 0.288 279 Y C 2.657 178.571 175.900 0.023 0.000 1.146 279 Y CA 0.795 58.763 58.100 -0.222 0.000 1.164 279 Y CB -1.108 37.248 38.460 -0.173 0.000 0.982 279 Y HN 0.251 nan 8.280 nan 0.000 0.515 280 Q N 0.403 120.324 119.800 0.202 0.000 2.234 280 Q HA -0.167 4.173 4.340 -0.000 0.000 0.206 280 Q C 1.411 177.468 176.000 0.095 0.000 0.980 280 Q CA 1.477 57.385 55.803 0.174 0.000 0.869 280 Q CB -0.329 28.485 28.738 0.128 0.000 0.912 280 Q HN 0.585 nan 8.270 nan 0.000 0.436 281 D N -0.583 119.818 120.400 0.002 0.000 2.137 281 D HA -0.035 4.605 4.640 -0.000 0.000 0.202 281 D C 1.925 178.363 176.300 0.230 0.000 0.970 281 D CA 0.553 54.575 54.000 0.037 0.000 0.837 281 D CB -0.416 40.353 40.800 -0.051 0.000 0.981 281 D HN 0.278 nan 8.370 nan 0.000 0.475 282 F N 1.125 121.201 119.950 0.209 0.000 2.095 282 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 282 F C 2.533 178.487 175.800 0.258 0.000 1.104 282 F CA 0.314 58.509 58.000 0.325 0.000 1.232 282 F CB -0.254 38.953 39.000 0.344 0.000 0.987 282 F HN -0.169 nan 8.300 nan 0.000 0.475 283 V N 1.090 121.242 119.914 0.397 0.000 2.490 283 V HA -0.282 3.838 4.120 -0.000 0.000 0.250 283 V C 2.189 178.379 176.094 0.160 0.000 1.061 283 V CA 2.257 64.706 62.300 0.249 0.000 1.064 283 V CB -0.887 31.048 31.823 0.187 0.000 0.670 283 V HN 0.402 nan 8.190 nan 0.000 0.461 284 R N -0.171 120.405 120.500 0.127 0.000 2.173 284 R HA 0.013 4.353 4.340 -0.000 0.000 0.208 284 R C 1.492 177.787 176.300 -0.007 0.000 1.035 284 R CA 1.222 57.355 56.100 0.055 0.000 1.004 284 R CB -0.335 29.988 30.300 0.039 0.000 0.917 284 R HN 0.374 nan 8.270 nan 0.000 0.462 285 D N -0.119 120.243 120.400 -0.064 0.000 2.216 285 D HA 0.019 4.658 4.640 -0.000 0.000 0.208 285 D C -0.112 175.887 176.300 -0.501 0.000 0.960 285 D CA 1.012 54.803 54.000 -0.348 0.000 0.861 285 D CB 0.170 40.626 40.800 -0.573 0.000 0.985 285 D HN 0.141 nan 8.370 nan 0.000 0.493 286 Y N -0.325 120.046 120.300 0.119 0.000 2.587 286 Y HA 0.320 4.870 4.550 -0.000 0.000 0.337 286 Y C -1.831 174.122 175.900 0.089 0.000 1.065 286 Y CA -2.663 55.490 58.100 0.088 0.000 1.126 286 Y CB 0.907 39.409 38.460 0.070 0.000 1.279 286 Y HN -0.259 nan 8.280 nan 0.000 0.489 287 P HA 0.037 nan 4.420 nan 0.000 0.249 287 P C -0.615 176.778 177.300 0.155 0.000 1.686 287 P CA 0.350 63.548 63.100 0.163 0.000 0.873 287 P CB -0.468 31.315 31.700 0.139 0.000 1.828 288 V N 1.647 121.670 119.914 0.181 0.000 2.530 288 V HA 0.038 4.158 4.120 -0.000 0.000 0.282 288 V C 1.755 177.924 176.094 0.124 0.000 1.048 288 V CA 0.154 62.544 62.300 0.149 0.000 0.997 288 V CB 1.472 33.408 31.823 0.189 0.000 0.987 288 V HN 0.209 nan 8.190 nan 0.000 0.477 289 V N 1.141 121.119 119.914 0.107 0.000 3.398 289 V HA 0.519 4.639 4.120 -0.000 0.000 0.298 289 V C 0.286 176.448 176.094 0.114 0.000 1.496 289 V CA 0.387 62.763 62.300 0.126 0.000 1.044 289 V CB 0.543 32.485 31.823 0.198 0.000 0.880 289 V HN 0.742 nan 8.190 nan 0.000 0.443 290 S N 0.272 116.014 115.700 0.071 0.000 2.543 290 S HA 0.788 5.258 4.470 -0.000 0.000 0.273 290 S C -1.420 173.164 174.600 -0.026 0.000 1.152 290 S CA -0.475 57.747 58.200 0.037 0.000 0.910 290 S CB 1.775 65.014 63.200 0.064 0.000 1.105 290 S HN 0.366 nan 8.310 nan 0.000 0.465 291 I N 3.494 124.023 120.570 -0.068 0.000 2.497 291 I HA 0.365 4.535 4.170 -0.000 0.000 0.284 291 I C -0.233 175.749 176.117 -0.224 0.000 1.060 291 I CA -0.446 60.743 61.300 -0.186 0.000 1.071 291 I CB 1.820 39.661 38.000 -0.264 0.000 1.216 291 I HN 0.680 nan 8.210 nan 0.000 0.442 292 E N 5.827 125.902 120.200 -0.208 0.000 2.301 292 E HA 0.102 4.452 4.350 -0.000 0.000 0.275 292 E C -0.507 175.951 176.600 -0.236 0.000 1.030 292 E CA -0.373 55.938 56.400 -0.149 0.000 0.852 292 E CB 0.813 30.465 29.700 -0.080 0.000 1.060 292 E HN 0.482 nan 8.360 nan 0.000 0.401 293 D N 3.869 124.202 120.400 -0.113 0.000 2.755 293 D HA -0.148 4.492 4.640 -0.000 0.000 0.227 293 D C -1.762 174.210 176.300 -0.547 0.000 1.211 293 D CA 0.495 54.418 54.000 -0.129 0.000 0.663 293 D CB -0.341 40.436 40.800 -0.039 0.000 0.983 293 D HN 0.466 nan 8.370 nan 0.000 0.407 294 P HA -0.087 nan 4.420 nan 0.000 0.230 294 P C 0.234 176.557 177.300 -1.629 0.000 1.158 294 P CA 0.877 63.110 63.100 -1.445 0.000 0.769 294 P CB 0.267 30.843 31.700 -1.874 0.000 0.807 295 F N -0.972 118.482 119.950 -0.827 0.000 2.726 295 F HA 0.375 4.902 4.527 -0.000 0.000 0.324 295 F C 0.500 176.265 175.800 -0.058 0.000 1.140 295 F CA -1.409 56.246 58.000 -0.575 0.000 0.964 295 F CB -0.175 38.510 39.000 -0.524 0.000 1.399 295 F HN -0.363 nan 8.300 nan 0.000 0.491 296 D N 0.476 121.089 120.400 0.354 0.000 2.368 296 D HA 0.066 4.706 4.640 -0.000 0.000 0.240 296 D C 1.032 177.340 176.300 0.014 0.000 1.169 296 D CA 0.124 54.128 54.000 0.008 0.000 0.906 296 D CB 0.830 41.212 40.800 -0.698 0.000 1.187 296 D HN 0.607 nan 8.370 nan 0.000 0.435 297 Q N 1.012 120.724 119.800 -0.146 0.000 2.364 297 Q HA -0.145 4.195 4.340 -0.000 0.000 0.209 297 Q C -0.156 175.601 176.000 -0.405 0.000 0.977 297 Q CA 1.120 56.763 55.803 -0.265 0.000 0.885 297 Q CB 0.168 28.846 28.738 -0.100 0.000 0.941 297 Q HN 0.458 nan 8.270 nan 0.000 0.464 298 D N 0.443 120.684 120.400 -0.265 0.000 2.479 298 D HA 0.040 4.679 4.640 -0.000 0.000 0.218 298 D C -0.263 176.000 176.300 -0.061 0.000 1.177 298 D CA 0.034 53.963 54.000 -0.118 0.000 0.830 298 D CB 0.344 41.184 40.800 0.066 0.000 1.014 298 D HN 0.178 nan 8.370 nan 0.000 0.503 299 D N -0.275 120.050 120.400 -0.123 0.000 3.072 299 D HA 0.004 4.644 4.640 -0.000 0.000 0.250 299 D C 1.013 177.410 176.300 0.161 0.000 1.304 299 D CA -0.551 53.498 54.000 0.081 0.000 0.861 299 D CB -0.267 40.646 40.800 0.187 0.000 1.062 299 D HN 0.077 nan 8.370 nan 0.000 0.481 300 W N 1.362 122.689 121.300 0.045 0.000 2.276 300 W HA -0.339 4.321 4.660 -0.000 0.000 0.307 300 W C 2.463 179.049 176.519 0.112 0.000 1.240 300 W CA 1.430 58.785 57.345 0.015 0.000 1.249 300 W CB -0.644 28.785 29.460 -0.052 0.000 1.140 300 W HN 0.253 nan 8.180 nan 0.000 0.519 301 A N 0.673 123.662 122.820 0.281 0.000 1.852 301 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 301 A C 2.139 179.768 177.584 0.075 0.000 1.215 301 A CA 3.158 55.289 52.037 0.157 0.000 0.641 301 A CB -1.609 17.449 19.000 0.096 0.000 0.838 301 A HN 0.280 nan 8.150 nan 0.000 0.450 302 A N -1.705 121.059 122.820 -0.093 0.000 1.927 302 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 302 A C 1.952 179.331 177.584 -0.342 0.000 1.185 302 A CA 1.839 53.577 52.037 -0.500 0.000 0.639 302 A CB -1.091 17.126 19.000 -1.306 0.000 0.820 302 A HN 0.759 nan 8.150 nan 0.000 0.451 303 W N 0.422 121.593 121.300 -0.215 0.000 2.315 303 W HA -0.181 4.479 4.660 -0.000 0.000 0.323 303 W C 2.911 179.517 176.519 0.145 0.000 1.233 303 W CA 2.004 59.408 57.345 0.098 0.000 1.267 303 W CB -0.950 28.540 29.460 0.050 0.000 1.160 303 W HN 0.276 nan 8.180 nan 0.000 0.474 304 S N -0.202 115.723 115.700 0.375 0.000 2.400 304 S HA -0.245 4.225 4.470 -0.000 0.000 0.232 304 S C 1.753 176.467 174.600 0.190 0.000 1.025 304 S CA 1.728 60.085 58.200 0.262 0.000 0.993 304 S CB -0.428 62.904 63.200 0.221 0.000 0.808 304 S HN 0.315 nan 8.310 nan 0.000 0.478 305 K N 0.416 120.912 120.400 0.161 0.000 1.984 305 K HA -0.118 4.202 4.320 -0.000 0.000 0.209 305 K C 1.932 178.649 176.600 0.195 0.000 1.046 305 K CA 1.259 57.625 56.287 0.131 0.000 0.934 305 K CB -0.370 32.175 32.500 0.074 0.000 0.717 305 K HN 0.256 nan 8.250 nan 0.000 0.438 306 F N 2.356 122.355 119.950 0.081 0.000 2.043 306 F HA -0.244 4.283 4.527 -0.000 0.000 0.297 306 F C 2.205 178.054 175.800 0.083 0.000 1.121 306 F CA 2.251 60.328 58.000 0.128 0.000 1.199 306 F CB -0.917 38.239 39.000 0.261 0.000 0.968 306 F HN 0.094 nan 8.300 nan 0.000 0.478 307 T N 0.455 115.075 114.554 0.109 0.000 2.778 307 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 307 T C 2.121 176.793 174.700 -0.047 0.000 1.050 307 T CA 1.258 63.344 62.100 -0.024 0.000 1.137 307 T CB -0.786 68.130 68.868 0.081 0.000 0.860 307 T HN 0.377 nan 8.240 nan 0.000 0.468 308 A N 1.552 124.379 122.820 0.011 0.000 1.969 308 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 308 A C 2.122 179.688 177.584 -0.030 0.000 1.169 308 A CA 1.413 53.456 52.037 0.009 0.000 0.635 308 A CB -0.449 18.577 19.000 0.043 0.000 0.810 308 A HN 0.625 nan 8.150 nan 0.000 0.445 309 N N -0.440 118.220 118.700 -0.067 0.000 2.319 309 N HA 0.100 4.840 4.740 -0.000 0.000 0.189 309 N C 0.634 176.055 175.510 -0.150 0.000 1.042 309 N CA 0.640 53.641 53.050 -0.082 0.000 0.879 309 N CB -0.189 38.269 38.487 -0.047 0.000 1.052 309 N HN 0.366 nan 8.380 nan 0.000 0.446 310 V N -0.092 119.637 119.914 -0.308 0.000 2.999 310 V HA 0.290 4.410 4.120 -0.000 0.000 0.307 310 V C 1.082 177.050 176.094 -0.210 0.000 1.084 310 V CA 0.122 62.225 62.300 -0.328 0.000 1.155 310 V CB 0.993 32.430 31.823 -0.644 0.000 0.975 310 V HN 0.287 nan 8.190 nan 0.000 0.490 311 G N 3.346 112.063 108.800 -0.139 0.000 3.277 311 G HA2 0.351 4.311 3.960 -0.000 0.000 0.243 311 G HA3 0.351 4.311 3.960 -0.000 0.000 0.243 311 G C 0.405 175.258 174.900 -0.078 0.000 1.107 311 G CA 0.254 45.299 45.100 -0.090 0.000 0.771 311 G HN 1.011 nan 8.290 nan 0.000 0.544 312 I N -2.913 117.599 120.570 -0.097 0.000 3.640 312 I HA 0.559 4.729 4.170 -0.000 0.000 0.288 312 I C 0.111 176.187 176.117 -0.068 0.000 1.248 312 I CA -1.191 60.077 61.300 -0.053 0.000 0.911 312 I CB 0.824 38.811 38.000 -0.021 0.000 1.533 312 I HN -0.077 nan 8.210 nan 0.000 0.686 313 Q N 1.465 121.250 119.800 -0.026 0.000 2.267 313 Q HA 0.387 4.727 4.340 -0.000 0.000 0.255 313 Q C -1.402 174.570 176.000 -0.046 0.000 0.923 313 Q CA -0.571 55.208 55.803 -0.040 0.000 0.925 313 Q CB 1.173 29.922 28.738 0.017 0.000 1.195 313 Q HN 0.532 nan 8.270 nan 0.000 0.417 314 I N 5.464 125.989 120.570 -0.076 0.000 2.420 314 I HA 0.244 4.414 4.170 -0.000 0.000 0.282 314 I C -0.592 175.495 176.117 -0.050 0.000 1.019 314 I CA -0.652 60.621 61.300 -0.045 0.000 1.130 314 I CB 1.121 39.126 38.000 0.008 0.000 1.262 314 I HN 0.427 nan 8.210 nan 0.000 0.454 315 V N 5.102 125.003 119.914 -0.022 0.000 2.465 315 V HA 0.617 4.737 4.120 -0.000 0.000 0.279 315 V C 0.945 177.106 176.094 0.113 0.000 1.045 315 V CA -0.563 61.738 62.300 0.001 0.000 0.938 315 V CB 1.392 33.215 31.823 -0.001 0.000 0.986 315 V HN 0.855 nan 8.190 nan 0.000 0.467 316 G N 1.859 110.699 108.800 0.067 0.000 2.356 316 G HA2 0.473 4.433 3.960 -0.000 0.000 0.298 316 G HA3 0.473 4.433 3.960 -0.000 0.000 0.298 316 G C -0.242 174.677 174.900 0.032 0.000 1.145 316 G CA -0.090 45.043 45.100 0.055 0.000 0.850 316 G HN 0.722 nan 8.290 nan 0.000 0.487 317 D N 0.077 120.492 120.400 0.026 0.000 3.028 317 D HA 0.009 4.649 4.640 -0.000 0.000 0.205 317 D C 1.296 177.583 176.300 -0.021 0.000 1.489 317 D CA -0.022 53.986 54.000 0.015 0.000 1.452 317 D CB 0.262 41.078 40.800 0.027 0.000 1.052 317 D HN 0.188 nan 8.370 nan 0.000 0.221 318 D N 0.415 120.800 120.400 -0.025 0.000 2.348 318 D HA -0.050 4.590 4.640 -0.000 0.000 0.216 318 D C 1.904 178.128 176.300 -0.127 0.000 0.970 318 D CA 0.176 54.157 54.000 -0.033 0.000 0.889 318 D CB 0.215 41.005 40.800 -0.016 0.000 0.912 318 D HN 0.149 nan 8.370 nan 0.000 0.524 319 L N 0.448 121.508 121.223 -0.271 0.000 2.179 319 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 319 L C 2.054 178.674 176.870 -0.416 0.000 1.096 319 L CA 1.596 56.078 54.840 -0.597 0.000 0.779 319 L CB -0.260 41.088 42.059 -1.185 0.000 0.922 319 L HN 0.067 nan 8.230 nan 0.000 0.443 320 T N -4.627 109.798 114.554 -0.215 0.000 2.959 320 T HA 0.104 4.454 4.350 -0.000 0.000 0.254 320 T C 0.871 175.559 174.700 -0.019 0.000 1.003 320 T CA 0.441 62.500 62.100 -0.070 0.000 0.950 320 T CB -0.461 68.424 68.868 0.029 0.000 1.090 320 T HN 0.502 nan 8.240 nan 0.000 0.503 321 V N 1.152 121.058 119.914 -0.014 0.000 5.176 321 V HA -0.252 3.868 4.120 -0.000 0.000 0.252 321 V C 0.476 176.589 176.094 0.032 0.000 0.665 321 V CA 0.899 63.213 62.300 0.024 0.000 0.654 321 V CB -3.566 28.293 31.823 0.058 0.000 0.440 321 V HN 0.783 nan 8.190 nan 0.000 0.806 322 T N -1.074 113.502 114.554 0.036 0.000 3.703 322 T HA -0.286 4.064 4.350 -0.000 0.000 0.363 322 T C 0.295 175.012 174.700 0.028 0.000 0.761 322 T CA 1.597 63.720 62.100 0.040 0.000 1.855 322 T CB -1.576 67.314 68.868 0.037 0.000 1.827 322 T HN 1.271 nan 8.240 nan 0.000 0.732 323 N N 0.576 119.291 118.700 0.025 0.000 2.443 323 N HA 0.289 5.029 4.740 -0.000 0.000 0.269 323 N C -1.893 173.617 175.510 -0.000 0.000 0.985 323 N CA -2.328 50.731 53.050 0.014 0.000 0.921 323 N CB 2.201 40.702 38.487 0.022 0.000 1.195 323 N HN -0.106 nan 8.380 nan 0.000 0.492 324 P HA -0.247 nan 4.420 nan 0.000 0.218 324 P C 1.325 178.597 177.300 -0.046 0.000 1.152 324 P CA 1.382 64.459 63.100 -0.039 0.000 0.857 324 P CB 0.417 32.093 31.700 -0.040 0.000 0.787 325 K N 0.066 120.446 120.400 -0.035 0.000 2.002 325 K HA -0.151 4.169 4.320 -0.000 0.000 0.209 325 K C 2.055 178.628 176.600 -0.045 0.000 1.048 325 K CA 1.495 57.755 56.287 -0.045 0.000 0.930 325 K CB -0.337 32.144 32.500 -0.032 0.000 0.714 325 K HN 0.044 nan 8.250 nan 0.000 0.438 326 R N 0.330 120.819 120.500 -0.019 0.000 2.115 326 R HA -0.018 4.322 4.340 -0.000 0.000 0.230 326 R C 2.454 178.817 176.300 0.106 0.000 1.111 326 R CA 1.034 57.153 56.100 0.032 0.000 0.976 326 R CB -0.296 29.998 30.300 -0.010 0.000 0.870 326 R HN 0.324 nan 8.270 nan 0.000 0.445 327 I N 0.846 121.442 120.570 0.042 0.000 2.233 327 I HA -0.206 3.964 4.170 -0.000 0.000 0.243 327 I C 2.327 178.403 176.117 -0.069 0.000 1.093 327 I CA 1.022 62.339 61.300 0.028 0.000 1.380 327 I CB -0.307 37.662 38.000 -0.051 0.000 1.067 327 I HN 0.062 nan 8.210 nan 0.000 0.413 328 E N 0.849 120.987 120.200 -0.104 0.000 2.097 328 E HA -0.292 4.058 4.350 -0.000 0.000 0.196 328 E C 2.191 178.726 176.600 -0.109 0.000 1.000 328 E CA 1.401 57.721 56.400 -0.133 0.000 0.804 328 E CB -0.348 29.282 29.700 -0.116 0.000 0.740 328 E HN 0.424 nan 8.360 nan 0.000 0.454 329 R N 0.305 120.739 120.500 -0.109 0.000 2.073 329 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 329 R C 2.261 178.527 176.300 -0.056 0.000 1.134 329 R CA 1.435 57.398 56.100 -0.230 0.000 0.952 329 R CB -0.190 29.797 30.300 -0.521 0.000 0.850 329 R HN 0.129 nan 8.270 nan 0.000 0.433 330 A N 0.193 123.185 122.820 0.287 0.000 1.930 330 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 330 A C 2.247 180.143 177.584 0.520 0.000 1.175 330 A CA 1.446 53.841 52.037 0.596 0.000 0.627 330 A CB -0.462 18.932 19.000 0.656 0.000 0.815 330 A HN 0.233 nan 8.150 nan 0.000 0.443 331 V N 0.253 120.326 119.914 0.265 0.000 2.295 331 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 331 V C 2.640 178.805 176.094 0.118 0.000 1.049 331 V CA 2.494 64.850 62.300 0.093 0.000 1.024 331 V CB -0.709 30.879 31.823 -0.391 0.000 0.648 331 V HN 0.785 nan 8.190 nan 0.000 0.447 332 E N 1.204 121.424 120.200 0.033 0.000 2.051 332 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 332 E C 1.914 178.548 176.600 0.056 0.000 0.991 332 E CA 1.902 58.306 56.400 0.007 0.000 0.799 332 E CB -0.291 29.372 29.700 -0.061 0.000 0.748 332 E HN 0.705 nan 8.360 nan 0.000 0.449 333 E N 0.259 120.514 120.200 0.092 0.000 2.476 333 E HA 0.046 4.396 4.350 -0.000 0.000 0.191 333 E C -0.332 176.396 176.600 0.213 0.000 1.064 333 E CA 0.083 56.562 56.400 0.132 0.000 0.866 333 E CB 0.039 29.819 29.700 0.134 0.000 0.952 333 E HN 0.207 nan 8.360 nan 0.000 0.492 334 K N -0.322 120.235 120.400 0.261 0.000 3.012 334 K HA -0.279 4.041 4.320 -0.000 0.000 0.259 334 K C 0.938 177.698 176.600 0.267 0.000 0.989 334 K CA 0.238 56.695 56.287 0.284 0.000 0.728 334 K CB -1.440 31.177 32.500 0.195 0.000 1.260 334 K HN 0.264 nan 8.250 nan 0.000 0.480 335 A N -0.246 122.774 122.820 0.332 0.000 2.019 335 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 335 A C 1.158 178.939 177.584 0.330 0.000 1.164 335 A CA 1.335 53.584 52.037 0.354 0.000 0.644 335 A CB -0.393 18.780 19.000 0.288 0.000 0.805 335 A HN 0.812 nan 8.150 nan 0.000 0.449 336 C N -3.217 116.120 119.300 0.062 0.000 3.321 336 C HA 0.627 5.087 4.460 -0.000 0.000 0.329 336 C C 0.053 174.553 174.990 -0.817 0.000 1.394 336 C CA -0.354 58.530 59.018 -0.223 0.000 1.291 336 C CB 1.162 28.786 27.740 -0.193 0.000 1.606 336 C HN 0.528 nan 8.230 nan 0.000 0.463 337 N N -0.866 117.370 118.700 -0.773 0.000 2.197 337 N HA 0.289 5.029 4.740 -0.000 0.000 0.228 337 N C -0.352 174.726 175.510 -0.720 0.000 1.212 337 N CA 0.043 52.554 53.050 -0.899 0.000 0.883 337 N CB 1.081 39.366 38.487 -0.337 0.000 1.107 337 N HN 0.854 nan 8.380 nan 0.000 0.519 338 C N 0.977 119.868 119.300 -0.682 0.000 2.985 338 C HA 0.650 5.110 4.460 -0.000 0.000 0.314 338 C C -1.517 173.394 174.990 -0.132 0.000 1.215 338 C CA -0.869 58.006 59.018 -0.239 0.000 1.414 338 C CB 1.191 28.869 27.740 -0.105 0.000 1.842 338 C HN 0.391 nan 8.230 nan 0.000 0.477 339 L N 4.852 126.143 121.223 0.113 0.000 2.329 339 L HA 0.794 5.134 4.340 -0.000 0.000 0.279 339 L C -0.922 176.010 176.870 0.104 0.000 1.014 339 L CA -0.294 54.651 54.840 0.175 0.000 0.814 339 L CB 1.520 43.762 42.059 0.306 0.000 1.257 339 L HN 0.727 nan 8.230 nan 0.000 0.424 340 L N 5.189 126.460 121.223 0.080 0.000 2.265 340 L HA 0.439 4.779 4.340 -0.000 0.000 0.288 340 L C -0.837 176.075 176.870 0.069 0.000 1.058 340 L CA -0.068 54.811 54.840 0.065 0.000 0.809 340 L CB 1.109 43.200 42.059 0.054 0.000 1.179 340 L HN 0.713 nan 8.230 nan 0.000 0.429 341 L N 6.073 127.336 121.223 0.067 0.000 2.282 341 L HA 0.370 4.710 4.340 -0.000 0.000 0.287 341 L C -0.456 176.449 176.870 0.059 0.000 1.075 341 L CA 0.226 55.104 54.840 0.063 0.000 0.839 341 L CB -0.105 41.990 42.059 0.062 0.000 1.219 341 L HN 0.537 nan 8.230 nan 0.000 0.434 342 K N 3.736 124.167 120.400 0.052 0.000 2.389 342 K HA 0.222 4.542 4.320 -0.000 0.000 0.261 342 K C 1.098 177.717 176.600 0.031 0.000 1.014 342 K CA -0.308 56.006 56.287 0.045 0.000 0.920 342 K CB 1.584 34.108 32.500 0.040 0.000 1.149 342 K HN 0.571 nan 8.250 nan 0.000 0.444 343 V N 0.756 120.687 119.914 0.027 0.000 2.392 343 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 343 V C 1.685 177.770 176.094 -0.016 0.000 1.059 343 V CA 1.925 64.227 62.300 0.003 0.000 1.051 343 V CB -0.543 31.269 31.823 -0.018 0.000 0.658 343 V HN 0.850 nan 8.190 nan 0.000 0.455 344 N N 0.304 118.995 118.700 -0.016 0.000 2.550 344 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 344 N C 1.710 177.217 175.510 -0.005 0.000 1.110 344 N CA 1.363 54.401 53.050 -0.020 0.000 0.912 344 N CB -0.262 38.211 38.487 -0.024 0.000 0.968 344 N HN 0.712 nan 8.380 nan 0.000 0.448 345 Q N -0.494 119.309 119.800 0.006 0.000 2.245 345 Q HA 0.081 4.421 4.340 -0.000 0.000 0.201 345 Q C 1.280 177.289 176.000 0.016 0.000 0.955 345 Q CA 0.619 56.431 55.803 0.016 0.000 0.870 345 Q CB 0.182 28.935 28.738 0.026 0.000 0.945 345 Q HN 0.297 nan 8.270 nan 0.000 0.461 346 I N -1.540 119.035 120.570 0.009 0.000 3.339 346 I HA 0.164 4.334 4.170 -0.000 0.000 0.285 346 I C 1.182 177.297 176.117 -0.004 0.000 1.201 346 I CA 1.362 62.666 61.300 0.006 0.000 1.434 346 I CB 0.604 38.608 38.000 0.006 0.000 1.152 346 I HN 0.235 nan 8.210 nan 0.000 0.443 347 G N 0.395 109.188 108.800 -0.012 0.000 2.179 347 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.220 347 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.220 347 G C 0.409 175.290 174.900 -0.030 0.000 0.990 347 G CA 0.393 45.481 45.100 -0.019 0.000 0.646 347 G HN 0.997 nan 8.290 nan 0.000 0.517 348 S N -1.821 113.859 115.700 -0.034 0.000 2.552 348 S HA 0.625 5.095 4.470 -0.000 0.000 0.272 348 S C 0.901 175.476 174.600 -0.042 0.000 1.150 348 S CA 0.344 58.518 58.200 -0.043 0.000 0.849 348 S CB 1.516 64.701 63.200 -0.024 0.000 1.113 348 S HN 0.953 nan 8.310 nan 0.000 0.458 349 V N 2.285 122.167 119.914 -0.054 0.000 2.261 349 V HA -0.143 3.977 4.120 -0.000 0.000 0.246 349 V C 2.798 178.894 176.094 0.004 0.000 1.047 349 V CA 2.734 65.023 62.300 -0.018 0.000 1.015 349 V CB -1.547 30.279 31.823 0.004 0.000 0.642 349 V HN 1.027 nan 8.190 nan 0.000 0.446 350 T N -0.117 114.434 114.554 -0.005 0.000 2.653 350 T HA -0.292 4.058 4.350 -0.000 0.000 0.268 350 T C 1.797 176.493 174.700 -0.007 0.000 1.035 350 T CA 2.197 64.293 62.100 -0.007 0.000 1.154 350 T CB -0.346 68.516 68.868 -0.010 0.000 0.862 350 T HN 0.630 nan 8.240 nan 0.000 0.441 351 E N 0.655 120.850 120.200 -0.008 0.000 2.150 351 E HA 0.022 4.372 4.350 -0.000 0.000 0.193 351 E C 2.495 179.094 176.600 -0.001 0.000 0.985 351 E CA 0.804 57.199 56.400 -0.008 0.000 0.814 351 E CB -0.181 29.514 29.700 -0.009 0.000 0.752 351 E HN 0.494 nan 8.360 nan 0.000 0.466 352 A N 0.999 123.822 122.820 0.006 0.000 1.930 352 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 352 A C 2.132 179.729 177.584 0.022 0.000 1.175 352 A CA 0.884 52.933 52.037 0.019 0.000 0.627 352 A CB -0.402 18.616 19.000 0.030 0.000 0.815 352 A HN 0.125 nan 8.150 nan 0.000 0.443 353 I N -0.614 119.967 120.570 0.018 0.000 2.286 353 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 353 I C 3.301 179.416 176.117 -0.003 0.000 1.104 353 I CA 1.391 62.697 61.300 0.010 0.000 1.397 353 I CB -0.596 37.404 38.000 0.001 0.000 1.072 353 I HN 0.525 nan 8.210 nan 0.000 0.417 354 Q N 0.859 120.653 119.800 -0.009 0.000 2.124 354 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 354 Q C 2.381 178.368 176.000 -0.021 0.000 0.977 354 Q CA 1.842 57.633 55.803 -0.019 0.000 0.850 354 Q CB -1.097 27.628 28.738 -0.022 0.000 0.901 354 Q HN 0.642 nan 8.270 nan 0.000 0.429 355 A N -0.381 122.432 122.820 -0.011 0.000 1.969 355 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 355 A C 2.584 180.168 177.584 0.001 0.000 1.169 355 A CA 1.446 53.478 52.037 -0.008 0.000 0.635 355 A CB -1.113 17.892 19.000 0.008 0.000 0.810 355 A HN 0.921 nan 8.150 nan 0.000 0.445 356 C N -0.409 118.899 119.300 0.012 0.000 2.466 356 C HA -0.009 4.451 4.460 -0.000 0.000 0.278 356 C C 2.634 177.628 174.990 0.006 0.000 1.288 356 C CA 1.342 60.375 59.018 0.024 0.000 1.722 356 C CB -0.825 26.931 27.740 0.027 0.000 2.017 356 C HN 0.499 nan 8.230 nan 0.000 0.488 357 K N 0.689 121.082 120.400 -0.012 0.000 2.026 357 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 357 K C 1.856 178.424 176.600 -0.052 0.000 1.048 357 K CA 1.098 57.369 56.287 -0.026 0.000 0.929 357 K CB -1.126 31.356 32.500 -0.030 0.000 0.713 357 K HN 0.509 nan 8.250 nan 0.000 0.439 358 L N 1.293 122.473 121.223 -0.071 0.000 2.043 358 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 358 L C 2.218 178.975 176.870 -0.189 0.000 1.075 358 L CA 2.085 56.848 54.840 -0.127 0.000 0.752 358 L CB -0.840 41.140 42.059 -0.131 0.000 0.891 358 L HN 0.178 nan 8.230 nan 0.000 0.432 359 A N -1.230 121.514 122.820 -0.127 0.000 1.845 359 A HA -0.266 4.054 4.320 -0.000 0.000 0.215 359 A C 2.185 179.756 177.584 -0.022 0.000 1.195 359 A CA 1.822 53.804 52.037 -0.092 0.000 0.616 359 A CB -0.698 18.385 19.000 0.139 0.000 0.832 359 A HN 0.620 nan 8.150 nan 0.000 0.443 360 Q N -0.392 119.418 119.800 0.016 0.000 2.061 360 Q HA -0.232 4.108 4.340 -0.000 0.000 0.204 360 Q C 1.954 177.948 176.000 -0.009 0.000 0.984 360 Q CA 1.866 57.685 55.803 0.026 0.000 0.846 360 Q CB -0.268 28.479 28.738 0.016 0.000 0.902 360 Q HN 0.784 nan 8.270 nan 0.000 0.421 361 E N 0.363 120.533 120.200 -0.049 0.000 2.204 361 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 361 E C 0.932 177.486 176.600 -0.076 0.000 0.990 361 E CA 0.528 56.893 56.400 -0.058 0.000 0.821 361 E CB -0.026 29.631 29.700 -0.072 0.000 0.750 361 E HN 0.300 nan 8.360 nan 0.000 0.477 362 N N -0.006 118.613 118.700 -0.135 0.000 2.322 362 N HA 0.027 4.767 4.740 -0.000 0.000 0.216 362 N C 0.715 176.215 175.510 -0.015 0.000 1.144 362 N CA 0.721 53.668 53.050 -0.171 0.000 0.830 362 N CB 1.101 39.311 38.487 -0.462 0.000 1.034 362 N HN 0.273 nan 8.380 nan 0.000 0.484 363 G N -0.022 108.808 108.800 0.051 0.000 2.175 363 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.265 363 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.265 363 G C -0.062 174.996 174.900 0.264 0.000 0.979 363 G CA 0.112 45.288 45.100 0.127 0.000 0.663 363 G HN 0.255 nan 8.290 nan 0.000 0.533 364 W N 0.334 121.628 121.300 -0.010 0.000 2.086 364 W HA 0.630 5.290 4.660 -0.000 0.000 0.355 364 W C 1.023 177.533 176.519 -0.015 0.000 1.313 364 W CA 0.106 57.448 57.345 -0.005 0.000 1.358 364 W CB 0.340 29.804 29.460 0.007 0.000 1.166 364 W HN 0.409 nan 8.180 nan 0.000 0.630 365 G N -0.307 108.606 108.800 0.188 0.000 2.521 365 G HA2 0.623 4.583 3.960 -0.000 0.000 0.323 365 G HA3 0.623 4.583 3.960 -0.000 0.000 0.323 365 G C -1.840 173.134 174.900 0.122 0.000 1.211 365 G CA -0.692 44.461 45.100 0.087 0.000 0.979 365 G HN 0.250 nan 8.290 nan 0.000 0.490 366 V N 0.920 120.885 119.914 0.086 0.000 2.612 366 V HA 0.445 4.565 4.120 -0.000 0.000 0.301 366 V C -0.421 175.714 176.094 0.069 0.000 1.059 366 V CA -0.495 61.860 62.300 0.091 0.000 0.886 366 V CB 1.744 33.618 31.823 0.085 0.000 1.007 366 V HN 0.807 nan 8.190 nan 0.000 0.426 367 M N 5.561 125.201 119.600 0.066 0.000 2.078 367 M HA 0.558 5.038 4.480 -0.000 0.000 0.320 367 M C -1.080 175.246 176.300 0.044 0.000 0.969 367 M CA -0.513 54.818 55.300 0.052 0.000 0.929 367 M CB 1.436 34.066 32.600 0.050 0.000 1.504 367 M HN 0.478 nan 8.290 nan 0.000 0.419 368 V N 3.723 123.655 119.914 0.030 0.000 2.655 368 V HA 0.226 4.346 4.120 -0.000 0.000 0.300 368 V C 0.249 176.357 176.094 0.023 0.000 1.044 368 V CA 0.192 62.510 62.300 0.030 0.000 1.095 368 V CB 1.225 33.057 31.823 0.015 0.000 0.952 368 V HN 0.911 nan 8.190 nan 0.000 0.485 369 S N 2.843 118.575 115.700 0.053 0.000 2.599 369 S HA 0.607 5.077 4.470 -0.000 0.000 0.287 369 S C -0.460 174.236 174.600 0.159 0.000 1.105 369 S CA -0.786 57.473 58.200 0.098 0.000 0.899 369 S CB 1.288 64.569 63.200 0.135 0.000 1.100 369 S HN 0.966 nan 8.310 nan 0.000 0.482 370 H N 1.295 120.353 119.070 -0.020 0.000 2.584 370 H HA 0.768 5.324 4.556 -0.000 0.000 0.299 370 H C -0.288 175.035 175.328 -0.009 0.000 1.548 370 H CA -1.229 54.804 56.048 -0.025 0.000 1.544 370 H CB 0.474 30.204 29.762 -0.054 0.000 1.732 370 H HN 0.294 nan 8.280 nan 0.000 0.813 371 R N -0.251 120.145 120.500 -0.174 0.000 2.854 371 R HA 0.134 4.474 4.340 -0.000 0.000 0.271 371 R C 0.910 176.944 176.300 -0.443 0.000 0.994 371 R CA -0.294 55.660 56.100 -0.243 0.000 0.945 371 R CB 1.571 31.811 30.300 -0.101 0.000 1.194 371 R HN 0.928 nan 8.270 nan 0.000 0.476 372 S N -0.622 114.855 115.700 -0.372 0.000 2.442 372 S HA -0.047 4.423 4.470 -0.000 0.000 0.236 372 S C 0.990 175.425 174.600 -0.276 0.000 1.007 372 S CA 0.753 58.675 58.200 -0.462 0.000 0.965 372 S CB -0.007 62.827 63.200 -0.611 0.000 0.773 372 S HN 0.673 nan 8.310 nan 0.000 0.504 373 G N 1.307 110.002 108.800 -0.174 0.000 2.603 373 G HA2 0.548 4.508 3.960 -0.000 0.000 0.324 373 G HA3 0.548 4.508 3.960 -0.000 0.000 0.324 373 G C -0.448 174.403 174.900 -0.083 0.000 1.178 373 G CA -0.458 44.580 45.100 -0.102 0.000 1.023 373 G HN 0.093 nan 8.290 nan 0.000 0.482 374 E N 0.424 120.587 120.200 -0.061 0.000 2.405 374 E HA 0.711 5.061 4.350 -0.000 0.000 0.249 374 E C 0.445 177.036 176.600 -0.014 0.000 1.028 374 E CA -0.361 56.024 56.400 -0.025 0.000 0.897 374 E CB 2.014 31.722 29.700 0.013 0.000 1.262 374 E HN 0.572 nan 8.360 nan 0.000 0.442 375 T N -2.931 111.623 114.554 -0.001 0.000 2.804 375 T HA 0.219 4.569 4.350 -0.000 0.000 0.290 375 T C 0.646 175.353 174.700 0.012 0.000 1.099 375 T CA -0.702 61.399 62.100 0.001 0.000 1.011 375 T CB 0.954 69.820 68.868 -0.004 0.000 1.291 375 T HN 0.389 nan 8.240 nan 0.000 0.523 376 E N 0.293 120.502 120.200 0.014 0.000 2.516 376 E HA -0.070 4.280 4.350 -0.000 0.000 0.199 376 E C 0.146 176.762 176.600 0.027 0.000 1.069 376 E CA 0.083 56.495 56.400 0.020 0.000 0.876 376 E CB -0.287 29.426 29.700 0.021 0.000 0.843 376 E HN 0.733 nan 8.360 nan 0.000 0.530 377 D N 1.913 122.332 120.400 0.032 0.000 2.414 377 D HA -0.025 4.615 4.640 -0.000 0.000 0.242 377 D C 0.326 176.662 176.300 0.060 0.000 1.129 377 D CA 0.854 54.887 54.000 0.055 0.000 0.885 377 D CB 1.059 41.893 40.800 0.057 0.000 1.198 377 D HN 0.141 nan 8.370 nan 0.000 0.437 378 T N 0.805 115.406 114.554 0.079 0.000 3.200 378 T HA 0.030 4.380 4.350 -0.000 0.000 0.284 378 T C 1.498 176.238 174.700 0.066 0.000 1.009 378 T CA -0.575 61.552 62.100 0.046 0.000 0.907 378 T CB -0.472 68.403 68.868 0.013 0.000 1.120 378 T HN 0.365 nan 8.240 nan 0.000 0.534 379 F N 3.521 123.467 119.950 -0.006 0.000 2.087 379 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 379 F C 1.876 177.670 175.800 -0.011 0.000 1.100 379 F CA 2.139 60.140 58.000 0.002 0.000 1.226 379 F CB -0.308 38.696 39.000 0.006 0.000 0.983 379 F HN 0.378 nan 8.300 nan 0.000 0.479 380 I N -1.284 119.413 120.570 0.213 0.000 2.657 380 I HA -0.141 4.029 4.170 -0.000 0.000 0.261 380 I C 2.207 178.291 176.117 -0.054 0.000 1.212 380 I CA 1.217 62.577 61.300 0.099 0.000 1.453 380 I CB -1.257 36.791 38.000 0.080 0.000 1.092 380 I HN 0.154 nan 8.210 nan 0.000 0.452 381 A N 2.111 124.871 122.820 -0.101 0.000 1.855 381 A HA -0.202 4.118 4.320 -0.000 0.000 0.215 381 A C 1.793 179.273 177.584 -0.173 0.000 1.191 381 A CA 2.182 54.128 52.037 -0.153 0.000 0.613 381 A CB -0.889 18.024 19.000 -0.145 0.000 0.829 381 A HN 0.498 nan 8.150 nan 0.000 0.442 382 D N -0.686 119.600 120.400 -0.191 0.000 2.264 382 D HA -0.056 4.584 4.640 -0.000 0.000 0.208 382 D C 1.690 177.888 176.300 -0.171 0.000 0.966 382 D CA 0.712 54.621 54.000 -0.151 0.000 0.864 382 D CB -0.094 40.600 40.800 -0.176 0.000 0.933 382 D HN 0.332 nan 8.370 nan 0.000 0.499 383 L N 0.351 121.436 121.223 -0.230 0.000 1.988 383 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 383 L C 2.165 179.005 176.870 -0.050 0.000 1.071 383 L CA 1.343 56.113 54.840 -0.116 0.000 0.744 383 L CB -0.783 41.288 42.059 0.020 0.000 0.893 383 L HN 0.022 nan 8.230 nan 0.000 0.433 384 V N -1.110 118.772 119.914 -0.054 0.000 2.469 384 V HA -0.228 3.892 4.120 -0.000 0.000 0.251 384 V C 2.326 178.386 176.094 -0.057 0.000 1.064 384 V CA 1.893 64.166 62.300 -0.044 0.000 1.066 384 V CB -0.033 31.758 31.823 -0.054 0.000 0.667 384 V HN 0.356 nan 8.190 nan 0.000 0.461 385 V N 0.480 120.341 119.914 -0.088 0.000 2.346 385 V HA -0.018 4.102 4.120 -0.000 0.000 0.244 385 V C 2.714 178.797 176.094 -0.018 0.000 1.037 385 V CA 1.877 64.121 62.300 -0.093 0.000 1.029 385 V CB -1.230 30.473 31.823 -0.200 0.000 0.663 385 V HN 0.604 nan 8.190 nan 0.000 0.454 386 G N -0.334 108.473 108.800 0.012 0.000 2.448 386 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.219 386 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.219 386 G C 1.432 176.334 174.900 0.005 0.000 1.127 386 G CA 0.662 45.781 45.100 0.030 0.000 0.766 386 G HN 0.497 nan 8.290 nan 0.000 0.552 387 L N -0.496 120.724 121.223 -0.004 0.000 2.585 387 L HA 0.187 4.527 4.340 -0.000 0.000 0.226 387 L C 1.060 177.930 176.870 -0.000 0.000 1.113 387 L CA -0.522 54.318 54.840 -0.000 0.000 0.876 387 L CB 0.053 42.117 42.059 0.008 0.000 1.072 387 L HN 0.131 nan 8.230 nan 0.000 0.468 388 C N 1.198 120.494 119.300 -0.006 0.000 4.114 388 C HA -0.209 4.251 4.460 -0.000 0.000 0.300 388 C C 2.375 177.361 174.990 -0.006 0.000 1.423 388 C CA 0.961 59.973 59.018 -0.010 0.000 2.034 388 C CB -2.749 24.989 27.740 -0.005 0.000 1.299 388 C HN 0.749 nan 8.230 nan 0.000 0.727 389 T N -2.521 112.032 114.554 -0.001 0.000 2.821 389 T HA 0.205 4.555 4.350 -0.000 0.000 0.267 389 T C 1.907 176.614 174.700 0.011 0.000 1.046 389 T CA 2.389 64.496 62.100 0.012 0.000 1.139 389 T CB -0.171 68.711 68.868 0.023 0.000 0.871 389 T HN 2.263 nan 8.240 nan 0.000 0.454 390 G N 1.151 109.950 108.800 -0.001 0.000 2.194 390 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.236 390 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.236 390 G C -0.067 174.854 174.900 0.035 0.000 0.987 390 G CA 0.239 45.338 45.100 -0.003 0.000 0.635 390 G HN 1.098 nan 8.290 nan 0.000 0.520 391 Q N -0.786 119.042 119.800 0.047 0.000 2.320 391 Q HA 0.793 5.133 4.340 -0.000 0.000 0.272 391 Q C -1.177 174.833 176.000 0.017 0.000 1.023 391 Q CA -1.104 54.729 55.803 0.050 0.000 0.855 391 Q CB 2.564 31.384 28.738 0.136 0.000 1.367 391 Q HN 0.752 nan 8.270 nan 0.000 0.406 392 I N 1.616 122.180 120.570 -0.010 0.000 2.722 392 I HA 0.536 4.706 4.170 -0.000 0.000 0.295 392 I C -2.016 174.051 176.117 -0.083 0.000 1.161 392 I CA -0.871 60.407 61.300 -0.038 0.000 1.032 392 I CB 2.419 40.390 38.000 -0.047 0.000 1.244 392 I HN 0.815 nan 8.210 nan 0.000 0.421 393 K N 3.471 123.803 120.400 -0.114 0.000 2.559 393 K HA 0.433 4.753 4.320 -0.000 0.000 0.249 393 K C -0.715 175.637 176.600 -0.413 0.000 0.958 393 K CA -0.530 55.657 56.287 -0.167 0.000 0.901 393 K CB 1.751 34.211 32.500 -0.066 0.000 1.124 393 K HN 0.402 nan 8.250 nan 0.000 0.437 394 T N 2.108 116.315 114.554 -0.578 0.000 3.533 394 T HA 0.493 4.843 4.350 -0.000 0.000 0.275 394 T C 0.103 174.335 174.700 -0.781 0.000 1.000 394 T CA 0.365 61.769 62.100 -1.161 0.000 1.015 394 T CB -0.585 67.825 68.868 -0.764 0.000 1.153 394 T HN 1.160 nan 8.240 nan 0.000 0.504 395 G N 1.080 109.652 108.800 -0.380 0.000 2.603 395 G HA2 0.352 4.312 3.960 -0.000 0.000 0.686 395 G HA3 0.352 4.312 3.960 -0.000 0.000 0.686 395 G C -0.142 174.931 174.900 0.289 0.000 1.286 395 G CA -0.448 44.738 45.100 0.144 0.000 0.871 395 G HN 0.922 nan 8.290 nan 0.000 0.568 396 A N 0.535 123.451 122.820 0.160 0.000 2.287 396 A HA 0.820 5.140 4.320 -0.000 0.000 0.273 396 A C -1.032 176.486 177.584 -0.109 0.000 1.091 396 A CA -0.527 51.509 52.037 -0.001 0.000 0.817 396 A CB 0.528 19.388 19.000 -0.234 0.000 1.069 396 A HN 0.876 nan 8.150 nan 0.000 0.492 397 P HA 0.154 nan 4.420 nan 0.000 0.249 397 P C -0.539 176.469 177.300 -0.486 0.000 1.686 397 P CA 0.285 63.094 63.100 -0.486 0.000 0.873 397 P CB -0.616 30.592 31.700 -0.820 0.000 1.828 398 C N 1.279 120.370 119.300 -0.349 0.000 2.880 398 C HA 0.595 5.055 4.460 -0.000 0.000 0.320 398 C C -0.800 174.148 174.990 -0.070 0.000 1.176 398 C CA -0.260 58.617 59.018 -0.235 0.000 1.390 398 C CB 0.603 28.128 27.740 -0.358 0.000 1.846 398 C HN 0.524 nan 8.230 nan 0.000 0.478 399 R N 3.978 124.470 120.500 -0.013 0.000 1.124 399 R HA -0.097 4.243 4.340 -0.000 0.000 0.425 399 R C 0.742 177.061 176.300 0.032 0.000 1.336 399 R CA 0.575 56.685 56.100 0.016 0.000 0.984 399 R CB -1.330 28.978 30.300 0.014 0.000 3.079 399 R HN 0.925 nan 8.270 nan 0.000 0.509 400 S N 1.692 117.413 115.700 0.035 0.000 2.442 400 S HA -0.170 4.300 4.470 -0.000 0.000 0.236 400 S C 1.669 176.290 174.600 0.036 0.000 1.007 400 S CA 1.432 59.657 58.200 0.041 0.000 0.965 400 S CB -0.075 63.147 63.200 0.037 0.000 0.773 400 S HN 0.741 nan 8.310 nan 0.000 0.504 401 E N 1.468 121.685 120.200 0.030 0.000 2.333 401 E HA -0.169 4.181 4.350 -0.000 0.000 0.198 401 E C 1.450 178.063 176.600 0.022 0.000 1.007 401 E CA 0.738 57.153 56.400 0.024 0.000 0.845 401 E CB -0.052 29.661 29.700 0.022 0.000 0.766 401 E HN 0.392 nan 8.360 nan 0.000 0.507 402 R N 0.129 120.651 120.500 0.036 0.000 2.072 402 R HA 0.164 4.504 4.340 -0.000 0.000 0.214 402 R C 2.492 178.811 176.300 0.033 0.000 1.168 402 R CA 0.044 56.152 56.100 0.014 0.000 1.020 402 R CB -0.834 29.536 30.300 0.116 0.000 0.914 402 R HN 0.150 nan 8.270 nan 0.000 0.449 403 L N 1.759 123.073 121.223 0.152 0.000 2.129 403 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 403 L C 2.479 179.423 176.870 0.124 0.000 1.087 403 L CA 1.854 56.822 54.840 0.212 0.000 0.757 403 L CB -1.658 40.480 42.059 0.132 0.000 0.896 403 L HN 0.170 nan 8.230 nan 0.000 0.434 404 A N -0.263 122.589 122.820 0.053 0.000 1.917 404 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 404 A C 2.397 179.980 177.584 -0.000 0.000 1.182 404 A CA 1.993 54.047 52.037 0.029 0.000 0.633 404 A CB -0.348 18.662 19.000 0.016 0.000 0.819 404 A HN 0.274 nan 8.150 nan 0.000 0.448 405 K N -1.120 119.231 120.400 -0.082 0.000 2.001 405 K HA -0.048 4.272 4.320 -0.000 0.000 0.208 405 K C 1.717 178.260 176.600 -0.096 0.000 1.048 405 K CA 1.609 57.794 56.287 -0.170 0.000 0.932 405 K CB -0.618 31.660 32.500 -0.371 0.000 0.715 405 K HN 0.573 nan 8.250 nan 0.000 0.437 406 Y N 1.471 121.823 120.300 0.087 0.000 2.274 406 Y HA -0.151 4.399 4.550 -0.000 0.000 0.290 406 Y C 1.847 177.864 175.900 0.195 0.000 1.145 406 Y CA 0.932 59.161 58.100 0.215 0.000 1.203 406 Y CB -0.535 38.071 38.460 0.244 0.000 0.984 406 Y HN 0.135 nan 8.280 nan 0.000 0.533 407 N N -0.092 118.757 118.700 0.248 0.000 2.142 407 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 407 N C 1.901 177.462 175.510 0.085 0.000 1.023 407 N CA 1.268 54.413 53.050 0.159 0.000 0.852 407 N CB -0.529 38.022 38.487 0.105 0.000 0.998 407 N HN 0.316 nan 8.380 nan 0.000 0.424 408 Q N 1.037 120.858 119.800 0.034 0.000 2.124 408 Q HA 0.039 4.379 4.340 -0.000 0.000 0.202 408 Q C 1.993 177.932 176.000 -0.100 0.000 0.977 408 Q CA 1.101 56.890 55.803 -0.023 0.000 0.850 408 Q CB -0.411 28.306 28.738 -0.036 0.000 0.901 408 Q HN 0.385 nan 8.270 nan 0.000 0.429 409 L N -0.773 120.352 121.223 -0.163 0.000 2.056 409 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 409 L C 2.437 179.067 176.870 -0.401 0.000 1.078 409 L CA 1.198 55.764 54.840 -0.457 0.000 0.749 409 L CB -0.326 41.199 42.059 -0.891 0.000 0.901 409 L HN 0.345 nan 8.230 nan 0.000 0.433 410 M N -1.095 118.472 119.600 -0.056 0.000 2.279 410 M HA -0.185 4.295 4.480 -0.000 0.000 0.264 410 M C 2.319 178.627 176.300 0.012 0.000 1.062 410 M CA 1.527 56.895 55.300 0.114 0.000 1.099 410 M CB -0.273 32.459 32.600 0.221 0.000 1.394 410 M HN 0.178 nan 8.290 nan 0.000 0.426 411 R N 0.161 120.649 120.500 -0.020 0.000 2.090 411 R HA 0.021 4.361 4.340 -0.000 0.000 0.228 411 R C 2.029 178.295 176.300 -0.057 0.000 1.110 411 R CA 1.050 57.140 56.100 -0.016 0.000 0.973 411 R CB -0.253 30.047 30.300 -0.000 0.000 0.869 411 R HN 0.374 nan 8.270 nan 0.000 0.440 412 I N 0.733 121.213 120.570 -0.150 0.000 2.315 412 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 412 I C 2.519 178.478 176.117 -0.264 0.000 1.117 412 I CA 1.259 62.383 61.300 -0.292 0.000 1.404 412 I CB -0.221 37.462 38.000 -0.528 0.000 1.071 412 I HN 0.259 nan 8.210 nan 0.000 0.419 413 E N 1.076 121.162 120.200 -0.190 0.000 2.106 413 E HA -0.283 4.067 4.350 -0.000 0.000 0.192 413 E C 2.103 178.679 176.600 -0.039 0.000 0.984 413 E CA 1.192 57.532 56.400 -0.099 0.000 0.806 413 E CB 0.053 29.741 29.700 -0.020 0.000 0.750 413 E HN 0.450 nan 8.360 nan 0.000 0.458 414 E N 0.321 120.508 120.200 -0.023 0.000 2.072 414 E HA -0.257 4.093 4.350 -0.000 0.000 0.191 414 E C 1.928 178.535 176.600 0.012 0.000 0.985 414 E CA 1.341 57.744 56.400 0.004 0.000 0.801 414 E CB 0.004 29.712 29.700 0.013 0.000 0.750 414 E HN 0.128 nan 8.360 nan 0.000 0.452 415 E N 0.408 120.616 120.200 0.013 0.000 2.204 415 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 415 E C 1.893 178.537 176.600 0.074 0.000 0.989 415 E CA 0.762 57.198 56.400 0.059 0.000 0.824 415 E CB -0.091 29.682 29.700 0.121 0.000 0.756 415 E HN 0.339 nan 8.360 nan 0.000 0.477 416 L N -0.791 120.452 121.223 0.032 0.000 2.418 416 L HA 0.150 4.490 4.340 -0.000 0.000 0.218 416 L C 1.574 178.466 176.870 0.037 0.000 1.125 416 L CA 0.214 55.081 54.840 0.045 0.000 0.835 416 L CB -0.666 41.387 42.059 -0.009 0.000 0.953 416 L HN 0.397 nan 8.230 nan 0.000 0.454 417 G N 0.754 109.570 108.800 0.027 0.000 2.611 417 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.301 417 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.301 417 G C 0.541 175.457 174.900 0.027 0.000 1.233 417 G CA 0.448 45.564 45.100 0.027 0.000 0.993 417 G HN 0.320 nan 8.290 nan 0.000 0.553 418 D N 0.922 121.339 120.400 0.028 0.000 2.263 418 D HA 0.035 4.675 4.640 -0.000 0.000 0.208 418 D C 2.296 178.615 176.300 0.032 0.000 0.971 418 D CA 1.333 55.350 54.000 0.029 0.000 0.867 418 D CB -0.208 40.607 40.800 0.026 0.000 0.929 418 D HN 0.462 nan 8.370 nan 0.000 0.492 419 E N 0.288 120.508 120.200 0.034 0.000 2.482 419 E HA 0.155 4.505 4.350 -0.000 0.000 0.196 419 E C 0.910 177.530 176.600 0.034 0.000 1.047 419 E CA 0.107 56.529 56.400 0.036 0.000 0.869 419 E CB -0.053 29.673 29.700 0.043 0.000 0.836 419 E HN 0.405 nan 8.360 nan 0.000 0.520 420 A N 1.452 124.290 122.820 0.030 0.000 2.454 420 A HA 0.477 4.797 4.320 -0.000 0.000 0.260 420 A C 0.354 177.974 177.584 0.060 0.000 1.106 420 A CA 0.080 52.134 52.037 0.029 0.000 0.780 420 A CB 0.057 19.071 19.000 0.023 0.000 1.044 420 A HN 0.213 nan 8.150 nan 0.000 0.498 421 R N 2.239 122.782 120.500 0.071 0.000 2.532 421 R HA 0.432 4.772 4.340 -0.000 0.000 0.297 421 R C -1.551 174.847 176.300 0.164 0.000 0.984 421 R CA -0.560 55.603 56.100 0.104 0.000 0.884 421 R CB 1.087 31.425 30.300 0.064 0.000 1.182 421 R HN 0.680 nan 8.270 nan 0.000 0.442 422 F N 3.069 123.042 119.950 0.039 0.000 2.412 422 F HA 0.329 4.856 4.527 -0.000 0.000 0.348 422 F C 0.897 176.730 175.800 0.055 0.000 1.102 422 F CA -0.059 57.975 58.000 0.055 0.000 1.196 422 F CB 1.403 40.435 39.000 0.053 0.000 1.144 422 F HN 0.755 nan 8.300 nan 0.000 0.541 423 A N 4.785 127.233 122.820 -0.619 0.000 1.858 423 A HA 0.237 4.557 4.320 -0.000 0.000 0.216 423 A C 1.895 179.231 177.584 -0.412 0.000 1.190 423 A CA 1.608 53.389 52.037 -0.427 0.000 0.617 423 A CB -1.551 17.247 19.000 -0.338 0.000 0.827 423 A HN 1.729 nan 8.150 nan 0.000 0.443 424 G N -1.435 106.844 108.800 -0.869 0.000 2.583 424 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.292 424 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.292 424 G C 0.672 175.517 174.900 -0.092 0.000 1.203 424 G CA 0.536 45.443 45.100 -0.322 0.000 0.987 424 G HN 0.641 nan 8.290 nan 0.000 0.554 425 H N 1.890 121.045 119.070 0.141 0.000 2.545 425 H HA 0.029 4.585 4.556 -0.000 0.000 0.282 425 H C 1.722 177.131 175.328 0.135 0.000 1.020 425 H CA 1.239 57.419 56.048 0.221 0.000 1.243 425 H CB -0.001 29.840 29.762 0.132 0.000 1.377 425 H HN 0.333 nan 8.280 nan 0.000 0.581 426 N N 1.218 119.991 118.700 0.122 0.000 2.320 426 N HA -0.018 4.722 4.740 -0.000 0.000 0.237 426 N C 1.057 176.504 175.510 -0.104 0.000 1.129 426 N CA -0.128 52.897 53.050 -0.042 0.000 0.854 426 N CB -0.148 38.327 38.487 -0.020 0.000 1.083 426 N HN 0.344 nan 8.380 nan 0.000 0.504 427 F N 0.704 120.588 119.950 -0.110 0.000 2.250 427 F HA -0.002 4.525 4.527 -0.000 0.000 0.301 427 F C 1.969 177.727 175.800 -0.069 0.000 1.077 427 F CA 0.681 58.603 58.000 -0.130 0.000 1.348 427 F CB -0.386 38.527 39.000 -0.144 0.000 1.040 427 F HN -0.114 nan 8.300 nan 0.000 0.509 428 R N 0.873 120.912 120.500 -0.767 0.000 2.161 428 R HA 0.038 4.378 4.340 -0.000 0.000 0.213 428 R C 0.022 176.192 176.300 -0.217 0.000 1.055 428 R CA 1.081 56.895 56.100 -0.477 0.000 0.996 428 R CB -0.372 29.574 30.300 -0.591 0.000 0.901 428 R HN 0.453 nan 8.270 nan 0.000 0.456 429 N N -0.278 118.307 118.700 -0.192 0.000 2.726 429 N HA 0.090 4.830 4.740 -0.000 0.000 0.253 429 N C -2.524 172.944 175.510 -0.070 0.000 1.530 429 N CA -1.359 51.632 53.050 -0.097 0.000 0.772 429 N CB 1.215 39.651 38.487 -0.085 0.000 1.220 429 N HN -0.092 nan 8.380 nan 0.000 0.508 430 P HA -0.057 nan 4.420 nan 0.000 0.242 430 P C 0.998 178.285 177.300 -0.022 0.000 1.197 430 P CA 0.514 63.590 63.100 -0.039 0.000 0.765 430 P CB 0.158 31.834 31.700 -0.041 0.000 0.936 431 S N -0.174 115.514 115.700 -0.019 0.000 2.507 431 S HA -0.085 4.385 4.470 -0.000 0.000 0.235 431 S C 1.837 176.432 174.600 -0.007 0.000 0.988 431 S CA 1.042 59.236 58.200 -0.010 0.000 0.944 431 S CB -1.594 61.600 63.200 -0.009 0.000 0.762 431 S HN 0.182 nan 8.310 nan 0.000 0.526 432 V N -1.116 118.793 119.914 -0.010 0.000 2.951 432 V HA 0.347 4.467 4.120 -0.000 0.000 0.255 432 V C 1.021 177.117 176.094 0.003 0.000 1.088 432 V CA 0.032 62.330 62.300 -0.004 0.000 1.109 432 V CB -0.954 30.865 31.823 -0.007 0.000 0.724 432 V HN 0.432 nan 8.190 nan 0.000 0.471 433 L N 0.000 121.225 121.223 0.004 0.000 2.949 433 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 433 L CA 0.000 54.848 54.840 0.013 0.000 0.813 433 L CB 0.000 42.067 42.059 0.013 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502