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 1nua_1_A DATA FIRST_RESID 3 DATA SEQUENCE NPTKISILGR ESIIADFGLW RNYVAKDLIS DCSSTTYVLV TDTNIGSIYT DATA SEQUENCE PSFEEAFRKR AAEITPSPRL LIYNRPPGEV SKSRQTKADI EDWMLSQNPP DATA SEQUENCE CGRDTVVIAL GGGVIGDLTG FVASTYMRGV RYVQVPTTLL AMVDSSIGGK DATA SEQUENCE TAIDTPLGKN LIGAIWQPTK IYIDLEFLET LPVREFINGM AEVIKTAAIS DATA SEQUENCE SEEEFTALEE NAETILKAVR REVTPGEHRF EGTEEILKAR ILASARHKAY DATA SEQUENCE VVSAXXXXGG LRNLLNWGHS IGHAIEAILT PQILHGECVA IGMVKEAELA DATA SEQUENCE RHLGILKGVA VSRIVKCLAA YGLPTSLKDA RIRKLTAGKH CSVDQLMFNM DATA SEQUENCE ALDXXXXGPK KKIVLLSAIG TPYETRASVV ANEDIRVVLA 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.498 175.510 -0.020 0.000 1.280 3 N CA 0.000 53.055 53.050 0.008 0.000 0.885 3 N CB 0.000 38.499 38.487 0.021 0.000 1.341 4 P HA 0.195 nan 4.420 nan 0.000 0.249 4 P C -0.921 176.328 177.300 -0.086 0.000 1.737 4 P CA 0.404 63.428 63.100 -0.127 0.000 1.128 4 P CB -0.104 31.466 31.700 -0.216 0.000 1.942 5 T N 3.292 117.807 114.554 -0.065 0.000 2.765 5 T HA -0.068 4.282 4.350 -0.000 0.000 0.275 5 T C 0.472 175.142 174.700 -0.050 0.000 1.007 5 T CA 0.607 62.679 62.100 -0.047 0.000 1.175 5 T CB -0.061 68.777 68.868 -0.049 0.000 0.993 5 T HN 0.229 nan 8.240 nan 0.000 0.510 6 K N 3.456 123.838 120.400 -0.029 0.000 2.221 6 K HA 0.623 4.943 4.320 -0.000 0.000 0.258 6 K C -0.400 176.187 176.600 -0.022 0.000 0.944 6 K CA -0.680 55.593 56.287 -0.024 0.000 0.823 6 K CB 1.974 34.471 32.500 -0.004 0.000 1.113 6 K HN 0.486 nan 8.250 nan 0.000 0.431 7 I N 1.225 121.777 120.570 -0.030 0.000 2.545 7 I HA 0.212 4.382 4.170 -0.000 0.000 0.292 7 I C -0.205 175.896 176.117 -0.026 0.000 1.040 7 I CA -0.690 60.597 61.300 -0.022 0.000 1.068 7 I CB 2.302 40.289 38.000 -0.023 0.000 1.251 7 I HN 0.506 nan 8.210 nan 0.000 0.424 8 S N 5.767 121.458 115.700 -0.015 0.000 2.646 8 S HA 0.685 5.155 4.470 -0.000 0.000 0.276 8 S C -0.518 174.065 174.600 -0.028 0.000 1.222 8 S CA -0.523 57.663 58.200 -0.024 0.000 1.014 8 S CB 1.598 64.788 63.200 -0.016 0.000 0.991 8 S HN 0.536 nan 8.310 nan 0.000 0.533 9 I N 2.062 122.604 120.570 -0.047 0.000 2.667 9 I HA 0.285 4.455 4.170 -0.000 0.000 0.288 9 I C -0.919 175.155 176.117 -0.071 0.000 1.267 9 I CA -0.712 60.553 61.300 -0.058 0.000 1.055 9 I CB 0.572 38.535 38.000 -0.061 0.000 1.294 9 I HN 0.734 nan 8.210 nan 0.000 0.429 10 L N 7.783 128.959 121.223 -0.080 0.000 3.717 10 L HA -0.294 4.046 4.340 -0.000 0.000 0.414 10 L C 0.836 177.664 176.870 -0.069 0.000 1.228 10 L CA 0.873 55.665 54.840 -0.080 0.000 0.918 10 L CB -2.113 39.898 42.059 -0.080 0.000 1.865 10 L HN 1.175 nan 8.230 nan 0.000 0.922 11 G N -0.815 107.949 108.800 -0.060 0.000 2.992 11 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.229 11 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.229 11 G C 0.049 174.924 174.900 -0.042 0.000 1.969 11 G CA 0.207 45.278 45.100 -0.049 0.000 1.603 11 G HN 0.397 nan 8.290 nan 0.000 0.573 12 R N 2.313 122.785 120.500 -0.048 0.000 2.596 12 R HA 0.549 4.889 4.340 -0.000 0.000 0.267 12 R C 0.028 176.300 176.300 -0.047 0.000 1.026 12 R CA 0.032 56.107 56.100 -0.042 0.000 1.087 12 R CB 0.690 30.964 30.300 -0.043 0.000 1.132 12 R HN 0.573 nan 8.270 nan 0.000 0.531 13 E N 1.662 121.839 120.200 -0.038 0.000 2.052 13 E HA 0.093 4.443 4.350 -0.000 0.000 0.283 13 E C -0.332 176.231 176.600 -0.063 0.000 1.071 13 E CA -0.298 56.077 56.400 -0.042 0.000 0.851 13 E CB 1.278 30.965 29.700 -0.022 0.000 1.066 13 E HN 0.717 nan 8.360 nan 0.000 0.396 14 S N 3.585 119.230 115.700 -0.092 0.000 2.505 14 S HA 0.151 4.621 4.470 -0.000 0.000 0.216 14 S C 0.813 175.309 174.600 -0.173 0.000 1.018 14 S CA -0.391 57.725 58.200 -0.140 0.000 0.911 14 S CB -0.044 63.061 63.200 -0.159 0.000 0.818 14 S HN 0.509 nan 8.310 nan 0.000 0.497 15 I N 2.717 123.214 120.570 -0.121 0.000 2.337 15 I HA 0.367 4.537 4.170 -0.000 0.000 0.291 15 I C -0.836 175.225 176.117 -0.092 0.000 1.046 15 I CA -0.332 60.901 61.300 -0.113 0.000 1.324 15 I CB 0.922 38.877 38.000 -0.075 0.000 1.409 15 I HN 0.198 nan 8.210 nan 0.000 0.494 16 I N 6.717 127.228 120.570 -0.099 0.000 2.411 16 I HA 0.480 4.650 4.170 -0.000 0.000 0.284 16 I C -0.089 176.001 176.117 -0.045 0.000 1.012 16 I CA -0.346 60.921 61.300 -0.055 0.000 1.119 16 I CB 1.633 39.647 38.000 0.023 0.000 1.261 16 I HN 0.559 nan 8.210 nan 0.000 0.448 17 A N 4.582 127.351 122.820 -0.085 0.000 2.331 17 A HA 0.851 5.171 4.320 -0.000 0.000 0.320 17 A C -1.033 176.457 177.584 -0.157 0.000 1.138 17 A CA -0.249 51.720 52.037 -0.113 0.000 0.790 17 A CB 1.451 20.379 19.000 -0.120 0.000 1.206 17 A HN 0.689 nan 8.150 nan 0.000 0.470 18 D N 0.232 120.511 120.400 -0.202 0.000 2.807 18 D HA 0.357 4.997 4.640 -0.000 0.000 0.279 18 D C -1.633 174.530 176.300 -0.229 0.000 1.247 18 D CA -0.414 53.466 54.000 -0.200 0.000 0.749 18 D CB 0.452 41.178 40.800 -0.123 0.000 1.264 18 D HN 0.264 nan 8.370 nan 0.000 0.421 19 F N 1.352 121.254 119.950 -0.080 0.000 2.445 19 F HA 0.480 5.007 4.527 -0.000 0.000 0.359 19 F C 1.771 177.525 175.800 -0.076 0.000 1.101 19 F CA 1.104 59.052 58.000 -0.086 0.000 1.177 19 F CB 1.409 40.348 39.000 -0.102 0.000 1.110 19 F HN 0.599 nan 8.300 nan 0.000 0.522 20 G N 3.029 111.877 108.800 0.080 0.000 2.131 20 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.223 20 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.223 20 G C 0.959 175.894 174.900 0.059 0.000 0.990 20 G CA 0.154 45.293 45.100 0.065 0.000 0.671 20 G HN 0.668 nan 8.290 nan 0.000 0.521 21 L N -0.954 120.287 121.223 0.029 0.000 2.046 21 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 21 L C 2.631 179.585 176.870 0.139 0.000 1.077 21 L CA 1.989 56.875 54.840 0.076 0.000 0.747 21 L CB -0.324 41.770 42.059 0.058 0.000 0.896 21 L HN 0.599 nan 8.230 nan 0.000 0.432 22 W N 1.477 122.733 121.300 -0.074 0.000 2.364 22 W HA -0.202 4.458 4.660 -0.000 0.000 0.281 22 W C 2.308 178.903 176.519 0.127 0.000 1.219 22 W CA 1.310 58.652 57.345 -0.004 0.000 1.220 22 W CB 0.061 29.470 29.460 -0.084 0.000 1.127 22 W HN 0.182 nan 8.180 nan 0.000 0.556 23 R N -0.806 119.732 120.500 0.063 0.000 2.123 23 R HA 0.015 4.355 4.340 -0.000 0.000 0.209 23 R C 1.228 177.523 176.300 -0.010 0.000 1.078 23 R CA 0.981 57.087 56.100 0.010 0.000 1.028 23 R CB -0.385 29.971 30.300 0.095 0.000 0.939 23 R HN 0.098 nan 8.270 nan 0.000 0.463 24 N N -0.919 117.806 118.700 0.041 0.000 2.171 24 N HA 0.005 4.745 4.740 -0.000 0.000 0.212 24 N C 0.158 175.726 175.510 0.096 0.000 1.184 24 N CA 0.337 53.415 53.050 0.047 0.000 0.888 24 N CB 0.764 39.293 38.487 0.071 0.000 1.038 24 N HN 0.204 nan 8.380 nan 0.000 0.517 25 Y N 0.261 120.519 120.300 -0.070 0.000 2.731 25 Y HA 0.205 4.755 4.550 -0.000 0.000 0.269 25 Y C 1.842 177.650 175.900 -0.152 0.000 1.156 25 Y CA 0.120 58.177 58.100 -0.072 0.000 1.191 25 Y CB 0.081 38.530 38.460 -0.018 0.000 1.382 25 Y HN -0.247 nan 8.280 nan 0.000 0.477 26 V N 1.381 121.258 119.914 -0.063 0.000 2.214 26 V HA -0.379 3.741 4.120 -0.000 0.000 0.247 26 V C 2.632 178.624 176.094 -0.169 0.000 1.051 26 V CA 2.500 64.590 62.300 -0.350 0.000 1.003 26 V CB -1.650 29.977 31.823 -0.327 0.000 0.635 26 V HN 0.497 nan 8.190 nan 0.000 0.447 27 A N -0.106 122.698 122.820 -0.027 0.000 1.884 27 A HA -0.358 3.962 4.320 -0.000 0.000 0.219 27 A C 2.371 179.809 177.584 -0.245 0.000 1.197 27 A CA 2.732 54.693 52.037 -0.127 0.000 0.637 27 A CB -0.706 18.057 19.000 -0.394 0.000 0.827 27 A HN 0.539 nan 8.150 nan 0.000 0.450 28 K N -0.481 119.764 120.400 -0.258 0.000 2.009 28 K HA -0.254 4.066 4.320 -0.000 0.000 0.210 28 K C 1.786 178.238 176.600 -0.247 0.000 1.049 28 K CA 2.235 58.362 56.287 -0.266 0.000 0.929 28 K CB -0.486 31.858 32.500 -0.260 0.000 0.714 28 K HN 0.446 nan 8.250 nan 0.000 0.440 29 D N 0.445 120.664 120.400 -0.302 0.000 2.123 29 D HA -0.142 4.498 4.640 -0.000 0.000 0.196 29 D C 2.173 178.473 176.300 0.001 0.000 0.992 29 D CA 1.149 55.029 54.000 -0.200 0.000 0.833 29 D CB 0.021 40.711 40.800 -0.184 0.000 0.954 29 D HN 0.200 nan 8.370 nan 0.000 0.455 30 L N -0.208 121.032 121.223 0.028 0.000 1.990 30 L HA -0.217 4.123 4.340 -0.000 0.000 0.213 30 L C 2.323 179.259 176.870 0.110 0.000 1.072 30 L CA 0.766 55.679 54.840 0.123 0.000 0.755 30 L CB -0.427 41.640 42.059 0.014 0.000 0.889 30 L HN 0.155 nan 8.230 nan 0.000 0.432 31 I N -0.199 120.330 120.570 -0.068 0.000 2.163 31 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 31 I C 2.800 178.946 176.117 0.049 0.000 1.085 31 I CA 1.971 63.274 61.300 0.004 0.000 1.347 31 I CB -0.558 37.347 38.000 -0.157 0.000 1.044 31 I HN 0.339 nan 8.210 nan 0.000 0.408 32 S N -0.675 115.020 115.700 -0.010 0.000 2.406 32 S HA -0.096 4.374 4.470 -0.000 0.000 0.228 32 S C 1.441 176.061 174.600 0.033 0.000 1.020 32 S CA 1.333 59.532 58.200 -0.002 0.000 0.965 32 S CB -0.338 62.836 63.200 -0.044 0.000 0.798 32 S HN 0.420 nan 8.310 nan 0.000 0.488 33 D N -0.356 120.080 120.400 0.061 0.000 2.423 33 D HA 0.274 4.914 4.640 -0.000 0.000 0.208 33 D C -0.089 176.275 176.300 0.106 0.000 1.068 33 D CA 0.162 54.207 54.000 0.075 0.000 0.860 33 D CB 0.473 41.320 40.800 0.079 0.000 0.992 33 D HN 0.389 nan 8.370 nan 0.000 0.504 34 C N 1.188 120.589 119.300 0.169 0.000 2.808 34 C HA 0.407 4.867 4.460 -0.000 0.000 0.261 34 C C 0.551 175.690 174.990 0.249 0.000 1.574 34 C CA -1.105 58.039 59.018 0.210 0.000 1.611 34 C CB -1.323 26.599 27.740 0.304 0.000 2.726 34 C HN 0.125 nan 8.230 nan 0.000 0.528 35 S N 1.739 117.539 115.700 0.167 0.000 2.599 35 S HA 0.260 4.730 4.470 -0.000 0.000 0.303 35 S C 0.136 174.781 174.600 0.074 0.000 1.267 35 S CA 1.184 59.472 58.200 0.146 0.000 1.055 35 S CB 0.236 63.484 63.200 0.080 0.000 0.790 35 S HN 0.865 nan 8.310 nan 0.000 0.500 36 S N 1.488 117.212 115.700 0.040 0.000 2.645 36 S HA 0.421 4.891 4.470 -0.000 0.000 0.268 36 S C 0.460 175.014 174.600 -0.076 0.000 1.110 36 S CA 0.026 58.140 58.200 -0.143 0.000 0.823 36 S CB 0.584 63.492 63.200 -0.486 0.000 1.091 36 S HN 0.999 nan 8.310 nan 0.000 0.466 37 T N -0.752 113.756 114.554 -0.077 0.000 3.014 37 T HA 0.346 4.696 4.350 -0.000 0.000 0.250 37 T C 0.417 175.135 174.700 0.029 0.000 1.060 37 T CA 0.403 62.515 62.100 0.020 0.000 1.040 37 T CB -0.010 68.869 68.868 0.017 0.000 0.971 37 T HN 0.539 nan 8.240 nan 0.000 0.497 38 T N 1.625 116.114 114.554 -0.108 0.000 2.879 38 T HA 0.563 4.913 4.350 -0.000 0.000 0.290 38 T C -1.916 172.652 174.700 -0.219 0.000 0.993 38 T CA -0.478 61.583 62.100 -0.065 0.000 0.975 38 T CB 1.255 70.090 68.868 -0.055 0.000 0.981 38 T HN 0.227 nan 8.240 nan 0.000 0.439 39 Y N 1.600 121.976 120.300 0.127 0.000 2.332 39 Y HA 0.499 5.049 4.550 -0.000 0.000 0.326 39 Y C -0.220 175.740 175.900 0.100 0.000 0.978 39 Y CA -1.009 57.178 58.100 0.145 0.000 1.205 39 Y CB 1.350 39.942 38.460 0.220 0.000 1.131 39 Y HN 0.336 nan 8.280 nan 0.000 0.462 40 V N 5.593 125.646 119.914 0.233 0.000 2.350 40 V HA 0.273 4.393 4.120 -0.000 0.000 0.276 40 V C -0.413 175.834 176.094 0.255 0.000 1.028 40 V CA -0.699 61.743 62.300 0.236 0.000 0.860 40 V CB 1.300 33.224 31.823 0.168 0.000 0.990 40 V HN 0.526 nan 8.190 nan 0.000 0.453 41 L N 7.295 128.675 121.223 0.262 0.000 2.275 41 L HA 0.689 5.029 4.340 -0.000 0.000 0.288 41 L C -0.397 176.571 176.870 0.164 0.000 1.046 41 L CA 0.314 55.283 54.840 0.215 0.000 0.805 41 L CB 1.510 43.707 42.059 0.231 0.000 1.193 41 L HN 0.445 nan 8.230 nan 0.000 0.426 42 V N 4.368 124.350 119.914 0.112 0.000 2.628 42 V HA 0.866 4.986 4.120 -0.000 0.000 0.306 42 V C -0.147 175.970 176.094 0.038 0.000 1.045 42 V CA -0.257 62.087 62.300 0.072 0.000 0.905 42 V CB 1.838 33.673 31.823 0.020 0.000 0.997 42 V HN 0.977 nan 8.190 nan 0.000 0.436 43 T N 1.877 116.452 114.554 0.036 0.000 2.700 43 T HA 0.345 4.695 4.350 -0.000 0.000 0.307 43 T C -1.614 173.084 174.700 -0.004 0.000 1.580 43 T CA -0.967 61.127 62.100 -0.008 0.000 0.992 43 T CB 1.688 70.544 68.868 -0.019 0.000 1.577 43 T HN 0.890 nan 8.240 nan 0.000 0.496 44 D N -0.780 119.605 120.400 -0.024 0.000 2.277 44 D HA 0.452 5.092 4.640 -0.000 0.000 0.250 44 D C 1.600 177.877 176.300 -0.038 0.000 1.032 44 D CA -0.147 53.836 54.000 -0.028 0.000 0.947 44 D CB 0.659 41.444 40.800 -0.025 0.000 1.159 44 D HN 0.601 nan 8.370 nan 0.000 0.460 45 T N -0.223 114.299 114.554 -0.053 0.000 2.653 45 T HA -0.313 4.037 4.350 -0.000 0.000 0.268 45 T C 1.313 175.988 174.700 -0.040 0.000 1.035 45 T CA 1.500 63.567 62.100 -0.055 0.000 1.154 45 T CB -0.669 68.162 68.868 -0.061 0.000 0.862 45 T HN 0.395 nan 8.240 nan 0.000 0.441 46 N N 2.098 120.777 118.700 -0.035 0.000 2.028 46 N HA 0.018 4.758 4.740 -0.000 0.000 0.194 46 N C 2.084 177.570 175.510 -0.039 0.000 1.050 46 N CA 1.714 54.744 53.050 -0.034 0.000 0.848 46 N CB -0.647 37.827 38.487 -0.023 0.000 1.038 46 N HN 0.483 nan 8.380 nan 0.000 0.423 47 I N 0.640 121.200 120.570 -0.017 0.000 2.335 47 I HA -0.171 3.999 4.170 -0.000 0.000 0.251 47 I C 2.319 178.457 176.117 0.035 0.000 1.129 47 I CA 1.393 62.708 61.300 0.025 0.000 1.402 47 I CB -0.718 37.281 38.000 -0.001 0.000 1.069 47 I HN 0.178 nan 8.210 nan 0.000 0.424 48 G N 0.530 109.336 108.800 0.010 0.000 2.430 48 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 48 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 48 G C 1.757 176.674 174.900 0.028 0.000 1.146 48 G CA 0.756 45.881 45.100 0.042 0.000 0.793 48 G HN 0.508 nan 8.290 nan 0.000 0.537 49 S N 0.158 115.845 115.700 -0.022 0.000 2.474 49 S HA 0.087 4.557 4.470 -0.000 0.000 0.235 49 S C 2.131 176.689 174.600 -0.070 0.000 0.997 49 S CA 0.655 58.836 58.200 -0.031 0.000 0.949 49 S CB -0.182 62.993 63.200 -0.041 0.000 0.766 49 S HN 0.372 nan 8.310 nan 0.000 0.517 50 I N -1.063 119.402 120.570 -0.176 0.000 2.512 50 I HA 0.080 4.250 4.170 -0.000 0.000 0.247 50 I C 1.856 177.763 176.117 -0.351 0.000 1.094 50 I CA 0.803 61.873 61.300 -0.384 0.000 1.427 50 I CB -0.159 37.363 38.000 -0.797 0.000 1.149 50 I HN 0.210 nan 8.210 nan 0.000 0.438 51 Y N 0.424 120.828 120.300 0.173 0.000 2.479 51 Y HA 0.060 4.610 4.550 -0.000 0.000 0.283 51 Y C 2.713 178.921 175.900 0.513 0.000 1.109 51 Y CA 0.388 58.684 58.100 0.327 0.000 1.239 51 Y CB -1.105 37.441 38.460 0.143 0.000 1.108 51 Y HN -0.029 nan 8.280 nan 0.000 0.548 52 T N 1.717 116.547 114.554 0.460 0.000 2.635 52 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 52 T C -0.511 174.438 174.700 0.416 0.000 1.040 52 T CA 1.991 64.374 62.100 0.472 0.000 1.156 52 T CB -1.293 67.740 68.868 0.275 0.000 0.863 52 T HN 0.171 nan 8.240 nan 0.000 0.430 53 P HA -0.179 nan 4.420 nan 0.000 0.216 53 P C 2.017 179.440 177.300 0.205 0.000 1.167 53 P CA 2.085 65.301 63.100 0.194 0.000 0.914 53 P CB -0.290 31.490 31.700 0.135 0.000 0.793 54 S N -2.175 113.680 115.700 0.257 0.000 2.442 54 S HA -0.188 4.282 4.470 -0.000 0.000 0.236 54 S C 1.847 176.540 174.600 0.155 0.000 1.007 54 S CA 0.914 59.238 58.200 0.207 0.000 0.965 54 S CB -1.538 61.820 63.200 0.263 0.000 0.773 54 S HN 0.048 nan 8.310 nan 0.000 0.504 55 F N 2.540 122.523 119.950 0.055 0.000 2.179 55 F HA 0.173 4.700 4.527 -0.000 0.000 0.292 55 F C 2.247 178.022 175.800 -0.041 0.000 1.089 55 F CA 1.077 58.976 58.000 -0.169 0.000 1.295 55 F CB -0.480 38.406 39.000 -0.190 0.000 1.041 55 F HN 0.151 nan 8.300 nan 0.000 0.487 56 E N -0.138 120.087 120.200 0.041 0.000 2.114 56 E HA -0.318 4.032 4.350 -0.000 0.000 0.199 56 E C 1.996 178.553 176.600 -0.073 0.000 1.008 56 E CA 1.718 58.093 56.400 -0.042 0.000 0.810 56 E CB -0.277 29.459 29.700 0.059 0.000 0.739 56 E HN 0.347 nan 8.360 nan 0.000 0.456 57 E N 0.653 120.823 120.200 -0.050 0.000 2.047 57 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 57 E C 1.880 178.405 176.600 -0.125 0.000 0.987 57 E CA 1.285 57.652 56.400 -0.054 0.000 0.799 57 E CB -0.300 29.389 29.700 -0.018 0.000 0.752 57 E HN 0.243 nan 8.360 nan 0.000 0.449 58 A N -0.487 122.212 122.820 -0.201 0.000 2.076 58 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 58 A C 2.074 179.439 177.584 -0.363 0.000 1.160 58 A CA 1.193 53.069 52.037 -0.268 0.000 0.653 58 A CB -0.755 18.063 19.000 -0.303 0.000 0.801 58 A HN 0.397 nan 8.150 nan 0.000 0.455 59 F N 1.221 120.806 119.950 -0.609 0.000 2.074 59 F HA -0.096 4.431 4.527 -0.000 0.000 0.290 59 F C 2.603 178.214 175.800 -0.315 0.000 1.118 59 F CA 1.768 59.420 58.000 -0.581 0.000 1.199 59 F CB -0.353 38.245 39.000 -0.671 0.000 1.012 59 F HN 0.302 nan 8.300 nan 0.000 0.472 60 R N 0.572 121.029 120.500 -0.071 0.000 2.105 60 R HA -0.221 4.119 4.340 -0.000 0.000 0.239 60 R C 2.109 178.299 176.300 -0.184 0.000 1.135 60 R CA 1.765 57.803 56.100 -0.103 0.000 0.967 60 R CB -0.816 29.487 30.300 0.005 0.000 0.861 60 R HN 0.189 nan 8.270 nan 0.000 0.442 61 K N 1.009 121.306 120.400 -0.171 0.000 1.980 61 K HA -0.138 4.182 4.320 -0.000 0.000 0.223 61 K C 2.117 178.598 176.600 -0.199 0.000 1.052 61 K CA 1.915 58.108 56.287 -0.156 0.000 0.974 61 K CB -0.050 32.362 32.500 -0.147 0.000 0.734 61 K HN 0.083 nan 8.250 nan 0.000 0.447 62 R N -0.202 120.136 120.500 -0.270 0.000 2.276 62 R HA 0.084 4.424 4.340 -0.000 0.000 0.203 62 R C 1.872 177.959 176.300 -0.355 0.000 1.017 62 R CA 0.956 56.884 56.100 -0.286 0.000 1.010 62 R CB -0.344 29.775 30.300 -0.302 0.000 0.900 62 R HN 0.398 nan 8.270 nan 0.000 0.469 63 A N 0.379 122.914 122.820 -0.476 0.000 2.081 63 A HA 0.222 4.542 4.320 -0.000 0.000 0.214 63 A C 2.079 179.511 177.584 -0.253 0.000 1.158 63 A CA 0.833 52.566 52.037 -0.505 0.000 0.724 63 A CB 0.003 18.460 19.000 -0.905 0.000 0.826 63 A HN 0.221 nan 8.150 nan 0.000 0.463 64 A N 0.416 123.120 122.820 -0.193 0.000 2.119 64 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 64 A C 1.459 178.989 177.584 -0.090 0.000 1.153 64 A CA 1.009 52.980 52.037 -0.110 0.000 0.692 64 A CB -0.372 18.576 19.000 -0.087 0.000 0.799 64 A HN 0.601 nan 8.150 nan 0.000 0.458 65 E N -0.886 119.249 120.200 -0.108 0.000 2.512 65 E HA 0.129 4.479 4.350 -0.000 0.000 0.195 65 E C -0.833 175.727 176.600 -0.066 0.000 1.083 65 E CA -0.049 56.303 56.400 -0.081 0.000 0.873 65 E CB -0.006 29.641 29.700 -0.088 0.000 0.897 65 E HN 0.486 nan 8.360 nan 0.000 0.514 66 I N 0.088 120.617 120.570 -0.068 0.000 2.646 66 I HA 0.180 4.350 4.170 -0.000 0.000 0.299 66 I C -0.338 175.763 176.117 -0.026 0.000 1.036 66 I CA -0.459 60.814 61.300 -0.044 0.000 1.074 66 I CB 2.503 40.475 38.000 -0.046 0.000 1.258 66 I HN -0.311 nan 8.210 nan 0.000 0.430 67 T N 5.413 119.960 114.554 -0.013 0.000 2.890 67 T HA 0.545 4.895 4.350 -0.000 0.000 0.295 67 T C -2.309 172.394 174.700 0.005 0.000 0.993 67 T CA -0.855 61.242 62.100 -0.004 0.000 0.979 67 T CB 1.266 70.131 68.868 -0.005 0.000 0.967 67 T HN 0.458 nan 8.240 nan 0.000 0.441 68 P HA 0.399 nan 4.420 nan 0.000 0.276 68 P C -0.327 176.985 177.300 0.020 0.000 1.244 68 P CA -0.611 62.498 63.100 0.015 0.000 0.801 68 P CB 0.718 32.431 31.700 0.021 0.000 1.006 69 S N 1.502 117.215 115.700 0.021 0.000 2.548 69 S HA 0.324 4.794 4.470 -0.000 0.000 0.277 69 S C -1.752 172.895 174.600 0.078 0.000 1.315 69 S CA -0.958 57.255 58.200 0.022 0.000 1.050 69 S CB -0.084 63.119 63.200 0.006 0.000 0.918 69 S HN 0.389 nan 8.310 nan 0.000 0.497 70 P HA 0.253 nan 4.420 nan 0.000 0.272 70 P C -0.500 177.019 177.300 0.366 0.000 1.240 70 P CA -0.578 62.672 63.100 0.250 0.000 0.791 70 P CB 0.542 32.477 31.700 0.391 0.000 0.978 71 R N 0.391 121.112 120.500 0.368 0.000 2.782 71 R HA 0.783 5.123 4.340 -0.000 0.000 0.258 71 R C -1.092 175.374 176.300 0.277 0.000 1.055 71 R CA -1.158 55.132 56.100 0.317 0.000 1.065 71 R CB 0.575 30.968 30.300 0.154 0.000 1.172 71 R HN 0.295 nan 8.270 nan 0.000 0.510 72 L N 1.847 123.077 121.223 0.012 0.000 2.372 72 L HA 0.457 4.797 4.340 -0.000 0.000 0.274 72 L C -1.649 175.211 176.870 -0.016 0.000 0.988 72 L CA -0.663 54.028 54.840 -0.248 0.000 0.833 72 L CB 1.717 43.228 42.059 -0.913 0.000 1.236 72 L HN 0.647 nan 8.230 nan 0.000 0.410 73 L N 6.061 127.343 121.223 0.099 0.000 2.317 73 L HA 0.614 4.954 4.340 -0.000 0.000 0.281 73 L C -0.573 176.547 176.870 0.417 0.000 1.024 73 L CA -0.532 54.454 54.840 0.243 0.000 0.810 73 L CB 1.838 43.968 42.059 0.118 0.000 1.240 73 L HN 0.516 nan 8.230 nan 0.000 0.427 74 I N 2.363 123.203 120.570 0.450 0.000 2.509 74 I HA 0.368 4.538 4.170 -0.000 0.000 0.293 74 I C -1.348 174.777 176.117 0.014 0.000 1.020 74 I CA -0.769 60.690 61.300 0.266 0.000 1.088 74 I CB 2.208 40.300 38.000 0.154 0.000 1.267 74 I HN 0.437 nan 8.210 nan 0.000 0.430 75 Y N 5.025 125.123 120.300 -0.338 0.000 2.373 75 Y HA 0.446 4.996 4.550 -0.000 0.000 0.336 75 Y C -1.229 174.463 175.900 -0.346 0.000 0.979 75 Y CA -0.930 56.746 58.100 -0.706 0.000 1.080 75 Y CB 1.496 39.288 38.460 -1.113 0.000 1.190 75 Y HN 0.512 nan 8.280 nan 0.000 0.446 76 N N 4.298 122.670 118.700 -0.546 0.000 2.511 76 N HA 0.581 5.321 4.740 -0.000 0.000 0.249 76 N C -0.342 174.958 175.510 -0.351 0.000 0.971 76 N CA -0.529 52.348 53.050 -0.287 0.000 0.938 76 N CB 1.170 39.525 38.487 -0.220 0.000 1.131 76 N HN 0.797 nan 8.380 nan 0.000 0.505 77 R N 2.328 122.792 120.500 -0.060 0.000 2.500 77 R HA 0.554 4.894 4.340 -0.000 0.000 0.275 77 R C -2.521 173.761 176.300 -0.030 0.000 1.051 77 R CA -1.726 54.390 56.100 0.028 0.000 1.088 77 R CB -0.669 29.738 30.300 0.179 0.000 1.063 77 R HN 0.434 nan 8.270 nan 0.000 0.511 78 P HA 0.120 nan 4.420 nan 0.000 0.268 78 P C -2.546 174.743 177.300 -0.017 0.000 1.205 78 P CA -0.975 62.106 63.100 -0.031 0.000 0.771 78 P CB 0.334 32.019 31.700 -0.024 0.000 0.858 79 P HA 0.218 nan 4.420 nan 0.000 0.272 79 P C 0.383 177.677 177.300 -0.010 0.000 1.254 79 P CA 0.961 64.052 63.100 -0.016 0.000 0.795 79 P CB -0.053 31.637 31.700 -0.017 0.000 1.022 80 G N 0.311 109.106 108.800 -0.009 0.000 2.730 80 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.686 80 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.686 80 G C 0.288 175.184 174.900 -0.006 0.000 1.343 80 G CA -0.123 44.973 45.100 -0.006 0.000 0.826 80 G HN 0.600 nan 8.290 nan 0.000 0.582 81 E N -0.103 120.094 120.200 -0.005 0.000 2.485 81 E HA 0.162 4.512 4.350 -0.000 0.000 0.194 81 E C 1.935 178.533 176.600 -0.003 0.000 1.098 81 E CA 0.590 56.986 56.400 -0.006 0.000 0.878 81 E CB 0.144 29.838 29.700 -0.010 0.000 0.939 81 E HN 0.377 nan 8.360 nan 0.000 0.503 82 V N 1.661 121.575 119.914 -0.001 0.000 2.283 82 V HA -0.255 3.865 4.120 -0.000 0.000 0.243 82 V C 2.405 178.503 176.094 0.006 0.000 1.039 82 V CA 2.058 64.359 62.300 0.002 0.000 1.016 82 V CB -0.519 31.304 31.823 0.001 0.000 0.650 82 V HN 0.460 nan 8.190 nan 0.000 0.449 83 S N -0.144 115.561 115.700 0.008 0.000 2.584 83 S HA -0.151 4.319 4.470 -0.000 0.000 0.240 83 S C 1.257 175.865 174.600 0.014 0.000 0.975 83 S CA 0.786 58.995 58.200 0.016 0.000 0.949 83 S CB -0.524 62.689 63.200 0.022 0.000 0.761 83 S HN 0.618 nan 8.310 nan 0.000 0.536 84 K N 2.498 122.904 120.400 0.011 0.000 2.765 84 K HA 0.205 4.525 4.320 -0.000 0.000 0.246 84 K C -0.312 176.303 176.600 0.025 0.000 1.254 84 K CA -0.224 56.073 56.287 0.017 0.000 1.219 84 K CB -0.141 32.363 32.500 0.008 0.000 1.747 84 K HN 0.500 nan 8.250 nan 0.000 0.372 85 S N -0.647 115.070 115.700 0.027 0.000 2.704 85 S HA 0.387 4.857 4.470 -0.000 0.000 0.296 85 S C 0.745 175.366 174.600 0.035 0.000 1.138 85 S CA -1.028 57.190 58.200 0.030 0.000 0.875 85 S CB 1.544 64.755 63.200 0.019 0.000 1.151 85 S HN 0.408 nan 8.310 nan 0.000 0.500 86 R N 0.535 121.056 120.500 0.036 0.000 2.120 86 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 86 R C 2.465 178.767 176.300 0.003 0.000 1.123 86 R CA 1.888 58.005 56.100 0.028 0.000 0.975 86 R CB -0.359 29.958 30.300 0.029 0.000 0.866 86 R HN 0.884 nan 8.270 nan 0.000 0.446 87 Q N -0.584 119.221 119.800 0.009 0.000 2.269 87 Q HA -0.011 4.329 4.340 -0.000 0.000 0.201 87 Q C 1.146 177.151 176.000 0.009 0.000 0.946 87 Q CA 1.405 57.213 55.803 0.008 0.000 0.877 87 Q CB 0.128 28.875 28.738 0.015 0.000 0.963 87 Q HN 0.038 nan 8.270 nan 0.000 0.472 88 T N 1.282 115.840 114.554 0.007 0.000 2.896 88 T HA -0.075 4.275 4.350 -0.000 0.000 0.263 88 T C 1.577 176.247 174.700 -0.050 0.000 1.050 88 T CA 1.235 63.339 62.100 0.007 0.000 1.140 88 T CB -0.065 68.813 68.868 0.018 0.000 0.877 88 T HN 0.353 nan 8.240 nan 0.000 0.457 89 K N 1.346 121.710 120.400 -0.061 0.000 2.074 89 K HA -0.106 4.214 4.320 -0.000 0.000 0.209 89 K C 2.390 178.922 176.600 -0.114 0.000 1.048 89 K CA 1.403 57.618 56.287 -0.119 0.000 0.926 89 K CB -0.291 32.125 32.500 -0.140 0.000 0.713 89 K HN 0.285 nan 8.250 nan 0.000 0.444 90 A N 1.348 124.129 122.820 -0.064 0.000 1.897 90 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 90 A C 1.778 179.365 177.584 0.005 0.000 1.181 90 A CA 1.730 53.748 52.037 -0.032 0.000 0.620 90 A CB -0.541 18.451 19.000 -0.014 0.000 0.821 90 A HN 0.391 nan 8.150 nan 0.000 0.443 91 D N 0.107 120.520 120.400 0.020 0.000 2.158 91 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 91 D C 1.882 178.233 176.300 0.084 0.000 0.995 91 D CA 1.374 55.429 54.000 0.091 0.000 0.846 91 D CB -0.201 40.685 40.800 0.143 0.000 0.941 91 D HN 0.546 nan 8.370 nan 0.000 0.456 92 I N 1.116 121.604 120.570 -0.137 0.000 2.193 92 I HA -0.201 3.969 4.170 -0.000 0.000 0.240 92 I C 2.342 178.463 176.117 0.006 0.000 1.084 92 I CA 0.865 61.977 61.300 -0.313 0.000 1.365 92 I CB -0.270 37.411 38.000 -0.532 0.000 1.064 92 I HN -0.051 nan 8.210 nan 0.000 0.410 93 E N 1.123 121.321 120.200 -0.004 0.000 2.038 93 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 93 E C 1.736 178.426 176.600 0.150 0.000 1.000 93 E CA 1.693 58.152 56.400 0.098 0.000 0.803 93 E CB -0.253 29.491 29.700 0.074 0.000 0.750 93 E HN 0.452 nan 8.360 nan 0.000 0.448 94 D N 0.037 120.508 120.400 0.118 0.000 2.149 94 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 94 D C 1.426 177.817 176.300 0.150 0.000 0.990 94 D CA 0.710 54.780 54.000 0.116 0.000 0.839 94 D CB -0.416 40.445 40.800 0.102 0.000 0.948 94 D HN 0.299 nan 8.370 nan 0.000 0.460 95 W N 1.108 122.430 121.300 0.037 0.000 2.355 95 W HA -0.130 4.530 4.660 -0.000 0.000 0.309 95 W C 2.202 178.746 176.519 0.042 0.000 1.206 95 W CA 1.376 58.764 57.345 0.071 0.000 1.284 95 W CB -0.350 29.203 29.460 0.156 0.000 1.145 95 W HN -0.120 nan 8.180 nan 0.000 0.502 96 M N -0.014 119.498 119.600 -0.147 0.000 2.132 96 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 96 M C 2.120 178.310 176.300 -0.184 0.000 1.065 96 M CA 1.560 56.624 55.300 -0.393 0.000 1.122 96 M CB -0.820 31.550 32.600 -0.383 0.000 1.365 96 M HN -0.024 nan 8.290 nan 0.000 0.411 97 L N -0.681 120.558 121.223 0.027 0.000 2.362 97 L HA -0.136 4.204 4.340 -0.000 0.000 0.219 97 L C 2.162 179.013 176.870 -0.031 0.000 1.134 97 L CA 0.645 55.521 54.840 0.060 0.000 0.807 97 L CB -0.419 41.688 42.059 0.080 0.000 0.927 97 L HN 0.239 nan 8.230 nan 0.000 0.447 98 S N -1.791 113.855 115.700 -0.090 0.000 2.486 98 S HA 0.040 4.510 4.470 -0.000 0.000 0.220 98 S C 0.847 175.368 174.600 -0.132 0.000 1.011 98 S CA -0.062 58.085 58.200 -0.087 0.000 0.921 98 S CB 0.085 63.256 63.200 -0.047 0.000 0.785 98 S HN 0.321 nan 8.310 nan 0.000 0.517 99 Q N 2.668 122.325 119.800 -0.238 0.000 2.540 99 Q HA 0.110 4.450 4.340 -0.000 0.000 0.256 99 Q C -0.185 175.747 176.000 -0.114 0.000 1.084 99 Q CA 0.379 56.053 55.803 -0.216 0.000 0.956 99 Q CB 0.033 28.581 28.738 -0.317 0.000 1.303 99 Q HN 0.556 nan 8.270 nan 0.000 0.509 100 N N -0.284 118.369 118.700 -0.078 0.000 2.448 100 N HA 0.410 5.150 4.740 -0.000 0.000 0.279 100 N C -2.641 172.849 175.510 -0.034 0.000 1.025 100 N CA -1.283 51.739 53.050 -0.045 0.000 0.898 100 N CB 1.070 39.541 38.487 -0.028 0.000 1.303 100 N HN 0.215 nan 8.380 nan 0.000 0.495 101 P HA 0.386 nan 4.420 nan 0.000 0.274 101 P C -2.733 174.540 177.300 -0.044 0.000 1.231 101 P CA -1.087 61.996 63.100 -0.028 0.000 0.790 101 P CB 0.141 31.832 31.700 -0.014 0.000 0.951 102 P HA 0.002 nan 4.420 nan 0.000 0.267 102 P C -0.182 177.112 177.300 -0.010 0.000 1.200 102 P CA -0.082 62.999 63.100 -0.032 0.000 0.772 102 P CB 0.184 31.878 31.700 -0.010 0.000 0.855 103 C N 3.783 123.076 119.300 -0.011 0.000 2.638 103 C HA 0.323 4.783 4.460 -0.000 0.000 0.410 103 C C 1.625 176.714 174.990 0.166 0.000 1.404 103 C CA 0.380 59.406 59.018 0.013 0.000 1.651 103 C CB -1.082 26.590 27.740 -0.113 0.000 2.495 103 C HN 0.690 nan 8.230 nan 0.000 0.606 104 G N 2.938 111.799 108.800 0.102 0.000 2.509 104 G HA2 0.276 4.236 3.960 -0.000 0.000 0.269 104 G HA3 0.276 4.236 3.960 -0.000 0.000 0.269 104 G C 0.752 175.744 174.900 0.153 0.000 1.416 104 G CA -0.603 44.561 45.100 0.106 0.000 1.052 104 G HN 0.745 nan 8.290 nan 0.000 0.542 105 R N -0.016 120.539 120.500 0.092 0.000 2.307 105 R HA 0.015 4.355 4.340 -0.000 0.000 0.199 105 R C 1.441 177.798 176.300 0.094 0.000 1.000 105 R CA 0.985 57.148 56.100 0.105 0.000 1.023 105 R CB 0.153 30.490 30.300 0.061 0.000 0.908 105 R HN 0.673 nan 8.270 nan 0.000 0.473 106 D N -0.260 120.173 120.400 0.055 0.000 2.349 106 D HA -0.043 4.597 4.640 -0.000 0.000 0.215 106 D C 0.128 176.417 176.300 -0.019 0.000 1.016 106 D CA 0.153 54.164 54.000 0.018 0.000 0.870 106 D CB -0.125 40.670 40.800 -0.008 0.000 0.917 106 D HN -0.202 nan 8.370 nan 0.000 0.524 107 T N 0.606 115.164 114.554 0.006 0.000 2.934 107 T HA 0.151 4.501 4.350 -0.000 0.000 0.321 107 T C 0.090 174.785 174.700 -0.007 0.000 1.080 107 T CA 0.066 62.144 62.100 -0.036 0.000 1.132 107 T CB 1.557 70.414 68.868 -0.019 0.000 1.039 107 T HN -0.076 nan 8.240 nan 0.000 0.543 108 V N 3.866 123.758 119.914 -0.036 0.000 2.447 108 V HA 0.278 4.398 4.120 -0.000 0.000 0.292 108 V C -0.034 176.191 176.094 0.219 0.000 1.021 108 V CA -0.823 61.544 62.300 0.112 0.000 0.850 108 V CB 1.775 33.670 31.823 0.119 0.000 1.005 108 V HN 0.732 nan 8.190 nan 0.000 0.426 109 V N 5.913 125.976 119.914 0.248 0.000 2.546 109 V HA 0.438 4.558 4.120 -0.000 0.000 0.284 109 V C 0.051 176.334 176.094 0.315 0.000 1.050 109 V CA -0.439 62.005 62.300 0.241 0.000 0.981 109 V CB 1.519 33.446 31.823 0.172 0.000 0.990 109 V HN 0.557 nan 8.190 nan 0.000 0.474 110 I N 3.692 124.426 120.570 0.273 0.000 2.354 110 I HA 0.526 4.696 4.170 -0.000 0.000 0.292 110 I C 0.432 176.660 176.117 0.186 0.000 0.989 110 I CA -0.523 60.934 61.300 0.263 0.000 1.188 110 I CB 1.333 39.483 38.000 0.250 0.000 1.342 110 I HN 0.692 nan 8.210 nan 0.000 0.457 111 A N 7.410 130.340 122.820 0.184 0.000 2.540 111 A HA 0.515 4.835 4.320 -0.000 0.000 0.340 111 A C -0.552 177.030 177.584 -0.004 0.000 1.424 111 A CA -0.427 51.673 52.037 0.104 0.000 0.940 111 A CB 0.046 19.146 19.000 0.167 0.000 1.149 111 A HN 0.585 nan 8.150 nan 0.000 0.505 112 L N 3.348 124.519 121.223 -0.086 0.000 2.270 112 L HA 0.738 5.078 4.340 -0.000 0.000 0.286 112 L C 0.407 177.124 176.870 -0.254 0.000 1.059 112 L CA 1.126 55.802 54.840 -0.273 0.000 0.839 112 L CB 0.387 42.210 42.059 -0.393 0.000 1.221 112 L HN 0.923 nan 8.230 nan 0.000 0.431 113 G N 2.255 110.883 108.800 -0.287 0.000 2.344 113 G HA2 0.413 4.373 3.960 -0.000 0.000 0.282 113 G HA3 0.413 4.373 3.960 -0.000 0.000 0.282 113 G C -0.651 174.134 174.900 -0.190 0.000 1.281 113 G CA -0.248 44.715 45.100 -0.228 0.000 0.877 113 G HN 0.802 nan 8.290 nan 0.000 0.494 114 G N -1.233 107.492 108.800 -0.125 0.000 2.782 114 G HA2 0.576 4.536 3.960 -0.000 0.000 0.201 114 G HA3 0.576 4.536 3.960 -0.000 0.000 0.201 114 G C 1.495 176.363 174.900 -0.053 0.000 1.374 114 G CA 0.661 45.707 45.100 -0.091 0.000 1.039 114 G HN 1.721 nan 8.290 nan 0.000 0.576 115 G N -0.739 108.038 108.800 -0.038 0.000 2.529 115 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.219 115 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.219 115 G C 1.717 176.603 174.900 -0.022 0.000 1.177 115 G CA 1.828 46.911 45.100 -0.027 0.000 0.773 115 G HN 0.450 nan 8.290 nan 0.000 0.573 116 V N 1.411 121.310 119.914 -0.025 0.000 2.255 116 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 116 V C 2.821 178.908 176.094 -0.012 0.000 1.051 116 V CA 1.561 63.851 62.300 -0.017 0.000 1.018 116 V CB -0.408 31.404 31.823 -0.017 0.000 0.641 116 V HN 0.302 nan 8.190 nan 0.000 0.445 117 I N 0.888 121.445 120.570 -0.021 0.000 2.252 117 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 117 I C 2.652 178.770 176.117 0.001 0.000 1.102 117 I CA 1.977 63.266 61.300 -0.018 0.000 1.385 117 I CB -1.951 36.024 38.000 -0.042 0.000 1.064 117 I HN 0.403 nan 8.210 nan 0.000 0.414 118 G N 0.996 109.800 108.800 0.006 0.000 2.459 118 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 118 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 118 G C 1.307 176.242 174.900 0.059 0.000 1.183 118 G CA 0.835 45.964 45.100 0.048 0.000 0.776 118 G HN 0.330 nan 8.290 nan 0.000 0.552 119 D N 0.197 120.618 120.400 0.034 0.000 2.097 119 D HA -0.098 4.542 4.640 -0.000 0.000 0.195 119 D C 2.441 178.777 176.300 0.059 0.000 0.989 119 D CA 0.904 54.925 54.000 0.035 0.000 0.827 119 D CB -0.344 40.458 40.800 0.003 0.000 0.966 119 D HN 0.277 nan 8.370 nan 0.000 0.456 120 L N 1.049 122.300 121.223 0.045 0.000 1.976 120 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 120 L C 2.250 179.124 176.870 0.008 0.000 1.071 120 L CA 1.926 56.798 54.840 0.053 0.000 0.746 120 L CB -1.094 40.974 42.059 0.014 0.000 0.890 120 L HN -0.075 nan 8.230 nan 0.000 0.432 121 T N -0.173 114.365 114.554 -0.026 0.000 2.652 121 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 121 T C 1.740 176.330 174.700 -0.185 0.000 1.039 121 T CA 1.477 63.533 62.100 -0.073 0.000 1.153 121 T CB -1.255 67.607 68.868 -0.010 0.000 0.863 121 T HN 0.617 nan 8.240 nan 0.000 0.428 122 G N 0.740 109.427 108.800 -0.189 0.000 2.469 122 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 122 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 122 G C 1.342 176.093 174.900 -0.248 0.000 1.136 122 G CA 0.573 45.372 45.100 -0.501 0.000 0.759 122 G HN 0.458 nan 8.290 nan 0.000 0.562 123 F N 1.242 121.063 119.950 -0.214 0.000 2.325 123 F HA 0.092 4.619 4.527 -0.000 0.000 0.299 123 F C 2.506 178.187 175.800 -0.200 0.000 1.090 123 F CA 0.195 58.091 58.000 -0.173 0.000 1.392 123 F CB -0.305 38.631 39.000 -0.107 0.000 1.053 123 F HN 0.016 nan 8.300 nan 0.000 0.521 124 V N 0.473 120.233 119.914 -0.257 0.000 2.307 124 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 124 V C 2.796 178.740 176.094 -0.250 0.000 1.045 124 V CA 1.796 63.902 62.300 -0.324 0.000 1.024 124 V CB -1.541 30.145 31.823 -0.228 0.000 0.651 124 V HN 0.382 nan 8.190 nan 0.000 0.449 125 A N 0.732 123.416 122.820 -0.227 0.000 1.972 125 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 125 A C 2.528 179.945 177.584 -0.278 0.000 1.169 125 A CA 2.078 54.046 52.037 -0.116 0.000 0.635 125 A CB -0.719 18.256 19.000 -0.041 0.000 0.810 125 A HN 0.691 nan 8.150 nan 0.000 0.446 126 S N -0.279 115.065 115.700 -0.592 0.000 2.399 126 S HA -0.153 4.317 4.470 -0.000 0.000 0.231 126 S C 1.693 175.805 174.600 -0.812 0.000 1.022 126 S CA 1.987 59.428 58.200 -1.264 0.000 0.983 126 S CB -0.957 61.848 63.200 -0.660 0.000 0.803 126 S HN 0.797 nan 8.310 nan 0.000 0.480 127 T N -3.732 110.546 114.554 -0.461 0.000 3.001 127 T HA 0.241 4.591 4.350 -0.000 0.000 0.251 127 T C 0.334 174.898 174.700 -0.226 0.000 1.040 127 T CA -0.522 61.376 62.100 -0.336 0.000 0.985 127 T CB -0.682 67.981 68.868 -0.341 0.000 1.011 127 T HN 0.317 nan 8.240 nan 0.000 0.509 128 Y N 3.507 123.646 120.300 -0.268 0.000 2.802 128 Y HA 0.269 4.819 4.550 -0.000 0.000 0.351 128 Y C 0.948 176.773 175.900 -0.125 0.000 1.237 128 Y CA -0.643 57.355 58.100 -0.170 0.000 1.599 128 Y CB -0.669 37.718 38.460 -0.123 0.000 1.214 128 Y HN 0.259 nan 8.280 nan 0.000 0.520 129 M N 5.714 124.987 119.600 -0.544 0.000 2.302 129 M HA -0.437 4.043 4.480 -0.000 0.000 0.200 129 M C 0.626 176.812 176.300 -0.190 0.000 0.366 129 M CA 1.249 56.319 55.300 -0.383 0.000 0.440 129 M CB -0.829 31.519 32.600 -0.421 0.000 1.475 129 M HN 0.875 nan 8.290 nan 0.000 0.905 130 R N -2.543 117.844 120.500 -0.189 0.000 3.875 130 R HA -0.120 4.220 4.340 -0.000 0.000 0.321 130 R C 0.381 176.573 176.300 -0.180 0.000 1.196 130 R CA 0.823 56.825 56.100 -0.164 0.000 0.868 130 R CB -2.379 27.862 30.300 -0.098 0.000 1.333 130 R HN 1.251 nan 8.270 nan 0.000 0.522 131 G N -0.971 107.718 108.800 -0.185 0.000 3.239 131 G HA2 0.229 4.189 3.960 -0.000 0.000 0.666 131 G HA3 0.229 4.189 3.960 -0.000 0.000 0.666 131 G C -0.585 174.473 174.900 0.263 0.000 1.313 131 G CA -0.521 44.507 45.100 -0.121 0.000 1.001 131 G HN 0.761 nan 8.290 nan 0.000 0.573 132 V N -0.229 119.931 119.914 0.409 0.000 3.078 132 V HA 0.885 5.005 4.120 -0.000 0.000 0.311 132 V C 0.486 176.908 176.094 0.547 0.000 1.138 132 V CA -1.704 60.841 62.300 0.408 0.000 1.007 132 V CB 1.785 33.793 31.823 0.308 0.000 1.045 132 V HN 0.988 nan 8.190 nan 0.000 0.432 133 R N 1.452 122.164 120.500 0.352 0.000 2.694 133 R HA 0.538 4.878 4.340 -0.000 0.000 0.268 133 R C -0.889 175.654 176.300 0.406 0.000 1.061 133 R CA 0.191 56.469 56.100 0.297 0.000 1.133 133 R CB 0.475 30.868 30.300 0.155 0.000 1.020 133 R HN 0.989 nan 8.270 nan 0.000 0.475 134 Y N -1.822 118.573 120.300 0.158 0.000 2.624 134 Y HA 0.539 5.089 4.550 -0.000 0.000 0.334 134 Y C -1.467 174.513 175.900 0.133 0.000 1.155 134 Y CA -1.422 56.781 58.100 0.172 0.000 1.046 134 Y CB 0.852 39.437 38.460 0.209 0.000 1.316 134 Y HN 0.345 nan 8.280 nan 0.000 0.457 135 V N 0.215 120.200 119.914 0.119 0.000 3.001 135 V HA 0.688 4.808 4.120 -0.000 0.000 0.314 135 V C -1.162 174.999 176.094 0.111 0.000 1.099 135 V CA -0.913 61.388 62.300 0.002 0.000 0.989 135 V CB 2.090 34.034 31.823 0.202 0.000 1.040 135 V HN 0.903 nan 8.190 nan 0.000 0.434 136 Q N 1.506 121.324 119.800 0.029 0.000 2.316 136 Q HA 0.649 4.989 4.340 -0.000 0.000 0.264 136 Q C -1.247 174.833 176.000 0.134 0.000 0.987 136 Q CA -0.550 55.307 55.803 0.090 0.000 0.852 136 Q CB 2.475 31.232 28.738 0.032 0.000 1.287 136 Q HN 0.787 nan 8.270 nan 0.000 0.448 137 V N 4.187 124.162 119.914 0.102 0.000 2.313 137 V HA 0.211 4.331 4.120 -0.000 0.000 0.262 137 V C -2.225 173.799 176.094 -0.118 0.000 1.011 137 V CA -1.473 60.874 62.300 0.078 0.000 0.858 137 V CB 0.941 32.781 31.823 0.028 0.000 1.104 137 V HN 0.572 nan 8.190 nan 0.000 0.456 138 P HA 0.113 nan 4.420 nan 0.000 0.267 138 P C 0.516 177.628 177.300 -0.313 0.000 1.205 138 P CA 0.401 63.408 63.100 -0.154 0.000 0.765 138 P CB 1.546 33.205 31.700 -0.068 0.000 0.828 139 T N 0.431 114.693 114.554 -0.487 0.000 3.037 139 T HA 0.052 4.402 4.350 -0.000 0.000 0.251 139 T C 0.923 175.455 174.700 -0.279 0.000 1.079 139 T CA 0.779 62.424 62.100 -0.759 0.000 1.067 139 T CB -0.003 68.368 68.868 -0.827 0.000 0.948 139 T HN 0.596 nan 8.240 nan 0.000 0.496 140 T N -0.069 114.386 114.554 -0.165 0.000 2.925 140 T HA 0.529 4.879 4.350 -0.000 0.000 0.285 140 T C 1.066 175.718 174.700 -0.078 0.000 1.021 140 T CA -0.840 61.214 62.100 -0.076 0.000 1.042 140 T CB 1.565 70.397 68.868 -0.060 0.000 1.037 140 T HN -0.115 nan 8.240 nan 0.000 0.481 141 L N 2.075 123.238 121.223 -0.100 0.000 2.017 141 L HA 0.057 4.397 4.340 -0.000 0.000 0.208 141 L C 2.229 179.014 176.870 -0.143 0.000 1.073 141 L CA 1.517 56.245 54.840 -0.188 0.000 0.745 141 L CB -1.034 40.793 42.059 -0.386 0.000 0.894 141 L HN 0.822 nan 8.230 nan 0.000 0.432 142 L N -0.691 120.473 121.223 -0.098 0.000 2.079 142 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 142 L C 2.424 179.276 176.870 -0.031 0.000 1.081 142 L CA 1.799 56.612 54.840 -0.045 0.000 0.752 142 L CB -0.635 41.426 42.059 0.002 0.000 0.896 142 L HN 0.471 nan 8.230 nan 0.000 0.433 143 A N -0.629 122.164 122.820 -0.045 0.000 1.968 143 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 143 A C 2.177 179.736 177.584 -0.042 0.000 1.169 143 A CA 1.267 53.280 52.037 -0.040 0.000 0.638 143 A CB -0.300 18.665 19.000 -0.058 0.000 0.812 143 A HN 0.438 nan 8.150 nan 0.000 0.446 144 M N -0.240 119.324 119.600 -0.059 0.000 2.086 144 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 144 M C 2.065 178.334 176.300 -0.053 0.000 1.067 144 M CA 2.089 57.354 55.300 -0.057 0.000 1.116 144 M CB -0.350 32.204 32.600 -0.078 0.000 1.348 144 M HN 0.442 nan 8.290 nan 0.000 0.407 145 V N -3.927 115.951 119.914 -0.060 0.000 3.354 145 V HA 0.041 4.161 4.120 -0.000 0.000 0.258 145 V C 0.876 176.966 176.094 -0.008 0.000 1.159 145 V CA 1.532 63.807 62.300 -0.043 0.000 1.125 145 V CB -0.040 31.744 31.823 -0.066 0.000 0.774 145 V HN 0.324 nan 8.190 nan 0.000 0.464 146 D N -0.236 120.164 120.400 0.001 0.000 3.195 146 D HA 0.071 4.711 4.640 -0.000 0.000 0.245 146 D C 2.128 178.441 176.300 0.022 0.000 1.462 146 D CA 1.098 55.114 54.000 0.027 0.000 1.259 146 D CB 0.736 41.572 40.800 0.059 0.000 1.199 146 D HN 0.159 nan 8.370 nan 0.000 0.345 147 S N -0.081 115.628 115.700 0.015 0.000 2.404 147 S HA -0.261 4.209 4.470 -0.000 0.000 0.230 147 S C 2.146 176.757 174.600 0.018 0.000 1.046 147 S CA 3.364 61.570 58.200 0.010 0.000 1.135 147 S CB -0.962 62.236 63.200 -0.003 0.000 1.056 147 S HN 0.409 nan 8.310 nan 0.000 0.426 148 S N 1.040 116.746 115.700 0.011 0.000 2.400 148 S HA 0.010 4.480 4.470 -0.000 0.000 0.232 148 S C 0.883 175.490 174.600 0.013 0.000 1.025 148 S CA 0.849 59.061 58.200 0.020 0.000 0.993 148 S CB -0.906 62.294 63.200 0.001 0.000 0.808 148 S HN 0.580 nan 8.310 nan 0.000 0.478 149 I N 1.867 122.438 120.570 0.002 0.000 2.371 149 I HA 0.556 4.726 4.170 -0.000 0.000 0.290 149 I C 1.380 177.501 176.117 0.007 0.000 1.028 149 I CA 0.346 61.642 61.300 -0.006 0.000 1.345 149 I CB 1.121 39.117 38.000 -0.007 0.000 1.407 149 I HN 0.441 nan 8.210 nan 0.000 0.501 150 G N 3.593 112.393 108.800 0.001 0.000 2.705 150 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.193 150 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.193 150 G C 0.930 175.845 174.900 0.025 0.000 1.015 150 G CA -0.131 44.974 45.100 0.008 0.000 0.743 150 G HN 1.286 nan 8.290 nan 0.000 0.476 151 G N 0.092 108.925 108.800 0.055 0.000 2.148 151 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 151 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 151 G C 0.179 175.163 174.900 0.139 0.000 0.981 151 G CA 1.099 46.268 45.100 0.115 0.000 0.670 151 G HN 0.851 nan 8.290 nan 0.000 0.528 152 K N 1.678 122.130 120.400 0.087 0.000 2.316 152 K HA 0.485 4.805 4.320 -0.000 0.000 0.289 152 K C 0.497 177.127 176.600 0.050 0.000 1.070 152 K CA 0.596 56.913 56.287 0.050 0.000 0.928 152 K CB 0.784 33.291 32.500 0.013 0.000 1.039 152 K HN 0.414 nan 8.250 nan 0.000 0.480 153 T N -0.552 114.013 114.554 0.020 0.000 2.907 153 T HA 0.872 5.222 4.350 -0.000 0.000 0.292 153 T C -0.641 173.935 174.700 -0.206 0.000 1.043 153 T CA -0.836 61.260 62.100 -0.008 0.000 1.003 153 T CB 2.107 71.032 68.868 0.096 0.000 1.084 153 T HN 0.625 nan 8.240 nan 0.000 0.483 154 A N 1.308 124.004 122.820 -0.205 0.000 2.361 154 A HA 0.725 5.045 4.320 -0.000 0.000 0.297 154 A C -1.545 175.978 177.584 -0.103 0.000 1.036 154 A CA -0.744 51.052 52.037 -0.401 0.000 0.589 154 A CB 0.159 18.965 19.000 -0.323 0.000 1.418 154 A HN 1.703 nan 8.150 nan 0.000 0.539 155 I N -2.388 118.137 120.570 -0.076 0.000 3.239 155 I HA 0.802 4.972 4.170 -0.000 0.000 0.314 155 I C -1.502 174.607 176.117 -0.013 0.000 1.126 155 I CA -0.998 60.323 61.300 0.035 0.000 0.973 155 I CB 2.201 40.288 38.000 0.145 0.000 1.252 155 I HN 0.434 nan 8.210 nan 0.000 0.463 156 D N 1.560 121.960 120.400 -0.000 0.000 2.228 156 D HA 0.564 5.204 4.640 -0.000 0.000 0.247 156 D C -0.410 175.889 176.300 -0.002 0.000 0.995 156 D CA -0.034 53.957 54.000 -0.015 0.000 0.903 156 D CB 2.266 43.055 40.800 -0.019 0.000 1.205 156 D HN 0.828 nan 8.370 nan 0.000 0.459 157 T N -3.023 111.526 114.554 -0.009 0.000 2.907 157 T HA 0.474 4.824 4.350 -0.000 0.000 0.290 157 T C -2.245 172.452 174.700 -0.005 0.000 1.066 157 T CA -1.927 60.172 62.100 -0.002 0.000 1.012 157 T CB 1.884 70.751 68.868 -0.002 0.000 1.184 157 T HN -0.125 nan 8.240 nan 0.000 0.522 158 P HA 0.133 nan 4.420 nan 0.000 0.226 158 P C 0.950 178.249 177.300 -0.001 0.000 1.146 158 P CA 0.711 63.811 63.100 -0.000 0.000 0.773 158 P CB -0.038 31.664 31.700 0.003 0.000 0.772 159 L N -3.211 118.010 121.223 -0.004 0.000 2.616 159 L HA 0.398 4.738 4.340 -0.000 0.000 0.229 159 L C 1.072 177.934 176.870 -0.014 0.000 1.110 159 L CA -0.065 54.772 54.840 -0.006 0.000 0.884 159 L CB 0.009 42.065 42.059 -0.005 0.000 1.115 159 L HN 0.007 nan 8.230 nan 0.000 0.481 160 G N -0.614 108.173 108.800 -0.021 0.000 2.328 160 G HA2 0.110 4.070 3.960 -0.000 0.000 0.299 160 G HA3 0.110 4.070 3.960 -0.000 0.000 0.299 160 G C -1.600 173.274 174.900 -0.043 0.000 1.435 160 G CA -0.867 44.212 45.100 -0.035 0.000 0.865 160 G HN -0.285 nan 8.290 nan 0.000 0.601 161 K N 1.076 121.440 120.400 -0.060 0.000 2.144 161 K HA 0.279 4.599 4.320 -0.000 0.000 0.270 161 K C 0.383 176.933 176.600 -0.083 0.000 1.005 161 K CA -0.593 55.652 56.287 -0.070 0.000 0.932 161 K CB 0.567 33.015 32.500 -0.086 0.000 1.021 161 K HN 0.630 nan 8.250 nan 0.000 0.462 162 N N 2.205 120.854 118.700 -0.086 0.000 2.678 162 N HA -0.229 4.511 4.740 -0.000 0.000 0.268 162 N C 0.428 175.869 175.510 -0.115 0.000 1.010 162 N CA 0.448 53.432 53.050 -0.111 0.000 0.784 162 N CB -0.846 37.573 38.487 -0.113 0.000 0.905 162 N HN 0.490 nan 8.380 nan 0.000 0.552 163 L N -0.825 120.338 121.223 -0.100 0.000 2.408 163 L HA 0.203 4.543 4.340 -0.000 0.000 0.215 163 L C 0.598 177.404 176.870 -0.106 0.000 1.081 163 L CA 0.631 55.419 54.840 -0.087 0.000 0.840 163 L CB 0.196 42.221 42.059 -0.056 0.000 1.002 163 L HN 0.170 nan 8.230 nan 0.000 0.468 164 I N 0.337 120.824 120.570 -0.137 0.000 2.418 164 I HA 0.675 4.845 4.170 -0.000 0.000 0.287 164 I C 0.288 176.082 176.117 -0.539 0.000 1.008 164 I CA -0.318 60.877 61.300 -0.174 0.000 1.104 164 I CB 0.712 38.711 38.000 -0.002 0.000 1.264 164 I HN 0.029 nan 8.210 nan 0.000 0.438 165 G N 3.797 112.166 108.800 -0.719 0.000 2.340 165 G HA2 0.787 4.747 3.960 -0.000 0.000 0.299 165 G HA3 0.787 4.747 3.960 -0.000 0.000 0.299 165 G C -2.167 172.357 174.900 -0.627 0.000 1.291 165 G CA 0.028 44.316 45.100 -1.353 0.000 0.841 165 G HN 0.834 nan 8.290 nan 0.000 0.500 166 A N -0.970 121.606 122.820 -0.407 0.000 2.609 166 A HA 0.726 5.046 4.320 -0.000 0.000 0.291 166 A C -1.356 176.259 177.584 0.051 0.000 1.096 166 A CA -0.598 51.400 52.037 -0.064 0.000 0.684 166 A CB 1.379 20.419 19.000 0.066 0.000 1.282 166 A HN 0.856 nan 8.150 nan 0.000 0.412 167 I N 1.554 122.202 120.570 0.130 0.000 2.291 167 I HA 0.209 4.379 4.170 -0.000 0.000 0.290 167 I C -0.757 175.588 176.117 0.381 0.000 1.050 167 I CA 0.068 61.478 61.300 0.184 0.000 1.245 167 I CB -0.137 37.936 38.000 0.120 0.000 1.405 167 I HN 0.689 nan 8.210 nan 0.000 0.478 168 W N 6.985 128.356 121.300 0.119 0.000 2.587 168 W HA 0.290 4.950 4.660 -0.000 0.000 0.324 168 W C -0.604 176.069 176.519 0.258 0.000 1.008 168 W CA -0.712 56.749 57.345 0.193 0.000 1.265 168 W CB 1.948 31.542 29.460 0.224 0.000 1.328 168 W HN 0.407 nan 8.180 nan 0.000 0.432 169 Q N 5.919 125.665 119.800 -0.090 0.000 2.314 169 Q HA 0.215 4.555 4.340 -0.000 0.000 0.258 169 Q C -1.970 173.811 176.000 -0.364 0.000 0.954 169 Q CA -1.712 53.994 55.803 -0.161 0.000 0.890 169 Q CB 0.856 29.472 28.738 -0.203 0.000 1.210 169 Q HN 0.241 nan 8.270 nan 0.000 0.410 170 P HA 0.095 nan 4.420 nan 0.000 0.280 170 P C 0.123 177.123 177.300 -0.500 0.000 1.244 170 P CA -0.124 62.434 63.100 -0.902 0.000 0.784 170 P CB 0.910 32.159 31.700 -0.752 0.000 0.913 171 T N 1.509 115.807 114.554 -0.427 0.000 2.833 171 T HA -0.047 4.303 4.350 -0.000 0.000 0.269 171 T C 0.802 175.376 174.700 -0.210 0.000 1.054 171 T CA 1.428 63.388 62.100 -0.235 0.000 1.135 171 T CB -0.073 68.726 68.868 -0.115 0.000 0.869 171 T HN 0.402 nan 8.240 nan 0.000 0.466 172 K N 0.111 120.357 120.400 -0.257 0.000 2.508 172 K HA 0.571 4.891 4.320 -0.000 0.000 0.260 172 K C -1.359 175.017 176.600 -0.374 0.000 0.949 172 K CA -0.588 55.492 56.287 -0.345 0.000 0.834 172 K CB 2.598 34.837 32.500 -0.436 0.000 1.365 172 K HN 0.024 nan 8.250 nan 0.000 0.437 173 I N 2.586 122.902 120.570 -0.424 0.000 2.542 173 I HA 0.213 4.383 4.170 -0.000 0.000 0.278 173 I C -1.222 174.744 176.117 -0.252 0.000 1.069 173 I CA -0.740 60.407 61.300 -0.254 0.000 1.100 173 I CB 0.837 38.745 38.000 -0.153 0.000 1.204 173 I HN 0.394 nan 8.210 nan 0.000 0.470 174 Y N 6.053 126.391 120.300 0.063 0.000 2.477 174 Y HA 0.321 4.871 4.550 -0.000 0.000 0.349 174 Y C 0.530 176.469 175.900 0.066 0.000 0.977 174 Y CA -0.722 57.432 58.100 0.089 0.000 1.214 174 Y CB 0.613 39.185 38.460 0.188 0.000 1.124 174 Y HN 0.337 nan 8.280 nan 0.000 0.521 175 I N 3.941 124.589 120.570 0.130 0.000 2.241 175 I HA 0.040 4.210 4.170 -0.000 0.000 0.294 175 I C 0.144 176.265 176.117 0.007 0.000 1.145 175 I CA -0.343 60.986 61.300 0.049 0.000 1.261 175 I CB -0.004 37.972 38.000 -0.041 0.000 1.475 175 I HN 0.551 nan 8.210 nan 0.000 0.533 176 D N 6.365 126.809 120.400 0.073 0.000 2.393 176 D HA 0.118 4.758 4.640 -0.000 0.000 0.232 176 D C 1.107 177.297 176.300 -0.184 0.000 1.192 176 D CA -0.214 53.712 54.000 -0.123 0.000 0.882 176 D CB 0.948 41.533 40.800 -0.358 0.000 1.038 176 D HN 0.390 nan 8.370 nan 0.000 0.499 177 L N 2.887 123.905 121.223 -0.342 0.000 2.633 177 L HA -0.035 4.305 4.340 -0.000 0.000 0.235 177 L C 1.936 178.727 176.870 -0.132 0.000 1.163 177 L CA 0.468 55.055 54.840 -0.420 0.000 0.859 177 L CB -0.137 41.285 42.059 -1.062 0.000 0.973 177 L HN 0.440 nan 8.230 nan 0.000 0.451 178 E N -0.340 119.816 120.200 -0.074 0.000 2.442 178 E HA -0.093 4.257 4.350 -0.000 0.000 0.195 178 E C 1.763 178.400 176.600 0.061 0.000 1.030 178 E CA 0.219 56.693 56.400 0.122 0.000 0.869 178 E CB 0.213 29.936 29.700 0.037 0.000 0.857 178 E HN 0.364 nan 8.360 nan 0.000 0.505 179 F N 0.523 120.505 119.950 0.054 0.000 2.325 179 F HA -0.051 4.476 4.527 -0.000 0.000 0.299 179 F C 1.771 177.653 175.800 0.137 0.000 1.090 179 F CA 0.711 58.698 58.000 -0.022 0.000 1.392 179 F CB -0.155 38.740 39.000 -0.176 0.000 1.053 179 F HN 0.069 nan 8.300 nan 0.000 0.521 180 L N -0.394 121.063 121.223 0.391 0.000 2.201 180 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 180 L C 2.111 179.359 176.870 0.630 0.000 1.105 180 L CA 1.064 56.203 54.840 0.499 0.000 0.775 180 L CB -0.719 41.612 42.059 0.453 0.000 0.913 180 L HN 0.182 nan 8.230 nan 0.000 0.440 181 E N -0.019 120.533 120.200 0.587 0.000 2.209 181 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 181 E C 1.523 178.251 176.600 0.213 0.000 0.993 181 E CA 1.819 58.422 56.400 0.339 0.000 0.819 181 E CB -0.080 29.796 29.700 0.294 0.000 0.745 181 E HN 0.603 nan 8.360 nan 0.000 0.477 182 T N -1.655 113.071 114.554 0.286 0.000 3.091 182 T HA 0.203 4.553 4.350 -0.000 0.000 0.277 182 T C 0.225 175.068 174.700 0.238 0.000 0.996 182 T CA -0.524 61.718 62.100 0.237 0.000 0.897 182 T CB 0.027 69.066 68.868 0.284 0.000 1.109 182 T HN -0.098 nan 8.240 nan 0.000 0.534 183 L N 3.642 125.032 121.223 0.278 0.000 2.418 183 L HA 0.442 4.782 4.340 -0.000 0.000 0.274 183 L C -2.518 174.480 176.870 0.213 0.000 1.135 183 L CA -1.988 52.999 54.840 0.245 0.000 0.870 183 L CB 0.095 42.327 42.059 0.288 0.000 1.154 183 L HN -0.104 nan 8.230 nan 0.000 0.462 184 P HA -0.095 nan 4.420 nan 0.000 0.261 184 P C 1.063 178.453 177.300 0.150 0.000 1.165 184 P CA -0.005 63.168 63.100 0.121 0.000 0.759 184 P CB 0.426 32.181 31.700 0.092 0.000 0.772 185 V N 4.478 124.460 119.914 0.114 0.000 2.222 185 V HA -0.341 3.779 4.120 -0.000 0.000 0.252 185 V C 2.476 178.666 176.094 0.160 0.000 1.060 185 V CA 2.484 64.853 62.300 0.114 0.000 1.027 185 V CB -0.945 30.910 31.823 0.054 0.000 0.644 185 V HN 0.675 nan 8.190 nan 0.000 0.448 186 R N -0.444 120.125 120.500 0.114 0.000 2.133 186 R HA -0.241 4.099 4.340 -0.000 0.000 0.247 186 R C 2.307 178.683 176.300 0.126 0.000 1.151 186 R CA 1.985 58.149 56.100 0.107 0.000 0.971 186 R CB -0.262 30.081 30.300 0.071 0.000 0.866 186 R HN 0.514 nan 8.270 nan 0.000 0.447 187 E N -0.328 119.952 120.200 0.134 0.000 2.150 187 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 187 E C 1.549 178.236 176.600 0.144 0.000 0.985 187 E CA 0.864 57.334 56.400 0.116 0.000 0.814 187 E CB -0.253 29.508 29.700 0.102 0.000 0.752 187 E HN 0.316 nan 8.360 nan 0.000 0.466 188 F N 0.970 120.959 119.950 0.065 0.000 2.074 188 F HA -0.154 4.373 4.527 -0.000 0.000 0.293 188 F C 2.128 177.960 175.800 0.053 0.000 1.116 188 F CA 0.890 58.934 58.000 0.073 0.000 1.212 188 F CB -0.462 38.611 39.000 0.121 0.000 0.998 188 F HN -0.099 nan 8.300 nan 0.000 0.471 189 I N 1.229 122.077 120.570 0.463 0.000 2.185 189 I HA -0.394 3.776 4.170 -0.000 0.000 0.246 189 I C 2.214 178.402 176.117 0.119 0.000 1.088 189 I CA 1.916 63.398 61.300 0.302 0.000 1.347 189 I CB -1.151 36.972 38.000 0.205 0.000 1.041 189 I HN 0.262 nan 8.210 nan 0.000 0.415 190 N N 0.638 119.387 118.700 0.082 0.000 2.069 190 N HA -0.158 4.582 4.740 -0.000 0.000 0.191 190 N C 1.987 177.475 175.510 -0.038 0.000 1.031 190 N CA 1.850 54.910 53.050 0.017 0.000 0.852 190 N CB -0.601 37.904 38.487 0.031 0.000 1.018 190 N HN 0.379 nan 8.380 nan 0.000 0.423 191 G N -0.386 108.364 108.800 -0.083 0.000 2.448 191 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.218 191 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.218 191 G C 1.297 176.082 174.900 -0.191 0.000 1.135 191 G CA 0.351 45.364 45.100 -0.145 0.000 0.784 191 G HN 0.222 nan 8.290 nan 0.000 0.543 192 M N 1.244 120.712 119.600 -0.220 0.000 2.539 192 M HA 0.082 4.562 4.480 -0.000 0.000 0.261 192 M C 2.733 178.910 176.300 -0.205 0.000 1.069 192 M CA 0.689 55.828 55.300 -0.268 0.000 1.081 192 M CB -0.822 31.620 32.600 -0.264 0.000 1.412 192 M HN 0.339 nan 8.290 nan 0.000 0.482 193 A N 0.107 122.849 122.820 -0.129 0.000 1.897 193 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 193 A C 2.085 179.624 177.584 -0.075 0.000 1.181 193 A CA 1.147 53.120 52.037 -0.107 0.000 0.620 193 A CB -0.258 18.662 19.000 -0.134 0.000 0.821 193 A HN 0.394 nan 8.150 nan 0.000 0.443 194 E N 0.009 120.175 120.200 -0.057 0.000 2.107 194 E HA -0.075 4.275 4.350 -0.000 0.000 0.191 194 E C 2.194 178.783 176.600 -0.018 0.000 0.982 194 E CA 1.133 57.539 56.400 0.009 0.000 0.809 194 E CB -0.517 29.208 29.700 0.041 0.000 0.756 194 E HN 0.399 nan 8.360 nan 0.000 0.459 195 V N 1.879 121.739 119.914 -0.090 0.000 2.295 195 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 195 V C 2.434 178.469 176.094 -0.099 0.000 1.049 195 V CA 1.520 63.746 62.300 -0.122 0.000 1.024 195 V CB -0.471 31.224 31.823 -0.214 0.000 0.648 195 V HN 0.192 nan 8.190 nan 0.000 0.447 196 I N -0.348 120.156 120.570 -0.110 0.000 2.315 196 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 196 I C 2.593 178.808 176.117 0.164 0.000 1.117 196 I CA 1.521 62.797 61.300 -0.039 0.000 1.404 196 I CB -0.431 37.526 38.000 -0.070 0.000 1.071 196 I HN 0.291 nan 8.210 nan 0.000 0.419 197 K N 0.828 121.330 120.400 0.169 0.000 2.009 197 K HA -0.208 4.112 4.320 -0.000 0.000 0.210 197 K C 2.089 178.809 176.600 0.201 0.000 1.049 197 K CA 2.190 58.674 56.287 0.328 0.000 0.929 197 K CB -0.171 32.468 32.500 0.233 0.000 0.714 197 K HN 0.208 nan 8.250 nan 0.000 0.440 198 T N 0.908 115.478 114.554 0.028 0.000 2.684 198 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 198 T C 1.870 176.444 174.700 -0.209 0.000 1.036 198 T CA 1.546 63.534 62.100 -0.186 0.000 1.148 198 T CB -0.370 68.386 68.868 -0.188 0.000 0.863 198 T HN 0.459 nan 8.240 nan 0.000 0.436 199 A N 1.562 124.353 122.820 -0.048 0.000 1.865 199 A HA 0.106 4.426 4.320 -0.000 0.000 0.217 199 A C 2.612 180.244 177.584 0.081 0.000 1.191 199 A CA 1.924 53.981 52.037 0.034 0.000 0.623 199 A CB -1.192 17.870 19.000 0.103 0.000 0.826 199 A HN 0.524 nan 8.150 nan 0.000 0.444 200 A N -0.077 122.849 122.820 0.178 0.000 2.178 200 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 200 A C 1.711 179.101 177.584 -0.323 0.000 1.157 200 A CA 1.331 53.340 52.037 -0.048 0.000 0.689 200 A CB -0.792 18.225 19.000 0.027 0.000 0.787 200 A HN 1.101 nan 8.150 nan 0.000 0.465 201 I N -4.204 116.221 120.570 -0.243 0.000 3.936 201 I HA 0.315 4.485 4.170 -0.000 0.000 0.330 201 I C 0.725 176.763 176.117 -0.131 0.000 1.509 201 I CA 0.661 61.805 61.300 -0.260 0.000 1.126 201 I CB 0.490 38.372 38.000 -0.197 0.000 1.115 201 I HN 0.158 nan 8.210 nan 0.000 0.424 202 S N -1.075 114.562 115.700 -0.105 0.000 2.462 202 S HA 0.174 4.644 4.470 -0.000 0.000 0.269 202 S C 0.510 175.104 174.600 -0.011 0.000 1.005 202 S CA 0.177 58.373 58.200 -0.007 0.000 1.260 202 S CB 0.373 63.623 63.200 0.083 0.000 0.990 202 S HN 0.291 nan 8.310 nan 0.000 0.477 203 S N 1.182 116.870 115.700 -0.019 0.000 2.673 203 S HA 0.367 4.837 4.470 -0.000 0.000 0.256 203 S C 0.124 174.740 174.600 0.025 0.000 1.141 203 S CA -0.362 57.839 58.200 0.001 0.000 1.109 203 S CB 1.468 64.677 63.200 0.014 0.000 1.101 203 S HN 0.295 nan 8.310 nan 0.000 0.471 204 E N 3.025 123.222 120.200 -0.004 0.000 2.267 204 E HA -0.150 4.200 4.350 -0.000 0.000 0.197 204 E C 0.945 177.594 176.600 0.081 0.000 0.998 204 E CA 1.323 57.728 56.400 0.009 0.000 0.830 204 E CB 0.221 29.895 29.700 -0.044 0.000 0.751 204 E HN 0.858 nan 8.360 nan 0.000 0.491 205 E N -0.058 120.176 120.200 0.057 0.000 2.158 205 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 205 E C 1.890 178.538 176.600 0.080 0.000 0.982 205 E CA 0.746 57.183 56.400 0.062 0.000 0.823 205 E CB 0.016 29.736 29.700 0.032 0.000 0.766 205 E HN 0.067 nan 8.360 nan 0.000 0.468 206 E N 0.646 120.894 120.200 0.080 0.000 2.152 206 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 206 E C 1.506 178.166 176.600 0.100 0.000 0.983 206 E CA 0.704 57.145 56.400 0.068 0.000 0.818 206 E CB -0.209 29.518 29.700 0.045 0.000 0.758 206 E HN 0.211 nan 8.360 nan 0.000 0.467 207 F N 0.374 120.325 119.950 0.002 0.000 2.186 207 F HA -0.103 4.424 4.527 -0.000 0.000 0.299 207 F C 2.075 177.902 175.800 0.045 0.000 1.090 207 F CA 1.697 59.709 58.000 0.021 0.000 1.307 207 F CB -0.433 38.571 39.000 0.006 0.000 1.019 207 F HN -0.020 nan 8.300 nan 0.000 0.489 208 T N 0.192 114.910 114.554 0.272 0.000 2.821 208 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 208 T C 2.172 176.920 174.700 0.081 0.000 1.046 208 T CA 1.238 63.445 62.100 0.179 0.000 1.139 208 T CB -0.615 68.334 68.868 0.136 0.000 0.871 208 T HN 0.336 nan 8.240 nan 0.000 0.454 209 A N 0.729 123.586 122.820 0.061 0.000 2.015 209 A HA 0.116 4.436 4.320 -0.000 0.000 0.219 209 A C 2.215 179.823 177.584 0.040 0.000 1.163 209 A CA 0.917 52.980 52.037 0.043 0.000 0.646 209 A CB -0.626 18.397 19.000 0.038 0.000 0.806 209 A HN 0.458 nan 8.150 nan 0.000 0.448 210 L N -0.653 120.572 121.223 0.004 0.000 2.072 210 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 210 L C 2.564 179.488 176.870 0.090 0.000 1.079 210 L CA 1.476 56.342 54.840 0.044 0.000 0.752 210 L CB -0.493 41.482 42.059 -0.140 0.000 0.906 210 L HN 0.445 nan 8.230 nan 0.000 0.436 211 E N -0.029 120.147 120.200 -0.039 0.000 2.085 211 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 211 E C 2.016 178.604 176.600 -0.019 0.000 0.994 211 E CA 1.390 57.771 56.400 -0.031 0.000 0.801 211 E CB -0.111 29.599 29.700 0.017 0.000 0.743 211 E HN 0.564 nan 8.360 nan 0.000 0.453 212 E N 0.862 121.068 120.200 0.011 0.000 2.028 212 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 212 E C 1.752 178.352 176.600 0.000 0.000 0.988 212 E CA 0.807 57.212 56.400 0.009 0.000 0.799 212 E CB -0.105 29.610 29.700 0.025 0.000 0.755 212 E HN 0.202 nan 8.360 nan 0.000 0.447 213 N N 0.862 119.581 118.700 0.033 0.000 2.515 213 N HA -0.009 4.731 4.740 -0.000 0.000 0.185 213 N C 1.438 176.953 175.510 0.009 0.000 1.109 213 N CA 0.699 53.779 53.050 0.051 0.000 0.903 213 N CB -0.093 38.456 38.487 0.103 0.000 0.969 213 N HN 0.123 nan 8.380 nan 0.000 0.450 214 A N 1.754 124.490 122.820 -0.139 0.000 1.859 214 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 214 A C 2.170 179.534 177.584 -0.366 0.000 1.209 214 A CA 2.008 53.676 52.037 -0.615 0.000 0.639 214 A CB -0.885 17.670 19.000 -0.741 0.000 0.835 214 A HN 0.442 nan 8.150 nan 0.000 0.450 215 E N -1.052 119.019 120.200 -0.215 0.000 2.033 215 E HA -0.217 4.133 4.350 -0.000 0.000 0.199 215 E C 2.075 178.632 176.600 -0.071 0.000 1.011 215 E CA 2.239 58.563 56.400 -0.127 0.000 0.815 215 E CB -0.359 29.292 29.700 -0.081 0.000 0.755 215 E HN 0.629 nan 8.360 nan 0.000 0.451 216 T N 1.540 116.074 114.554 -0.035 0.000 2.580 216 T HA -0.217 4.133 4.350 -0.000 0.000 0.265 216 T C 2.015 176.739 174.700 0.040 0.000 1.063 216 T CA 1.862 63.968 62.100 0.010 0.000 1.170 216 T CB -0.520 68.368 68.868 0.033 0.000 0.863 216 T HN 0.199 nan 8.240 nan 0.000 0.418 217 I N 0.585 121.200 120.570 0.076 0.000 2.113 217 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 217 I C 2.433 178.589 176.117 0.065 0.000 1.064 217 I CA 1.156 62.543 61.300 0.145 0.000 1.320 217 I CB -0.440 37.728 38.000 0.281 0.000 1.028 217 I HN 0.134 nan 8.210 nan 0.000 0.406 218 L N 1.009 122.237 121.223 0.008 0.000 2.191 218 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 218 L C 2.396 179.234 176.870 -0.053 0.000 1.103 218 L CA 1.771 56.587 54.840 -0.040 0.000 0.769 218 L CB -0.755 41.259 42.059 -0.074 0.000 0.908 218 L HN 0.143 nan 8.230 nan 0.000 0.438 219 K N -0.887 119.491 120.400 -0.036 0.000 2.057 219 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 219 K C 1.989 178.563 176.600 -0.042 0.000 1.050 219 K CA 1.182 57.448 56.287 -0.036 0.000 0.935 219 K CB -0.129 32.357 32.500 -0.024 0.000 0.715 219 K HN 0.357 nan 8.250 nan 0.000 0.439 220 A N 0.920 123.731 122.820 -0.015 0.000 1.858 220 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 220 A C 2.244 179.742 177.584 -0.143 0.000 1.190 220 A CA 1.737 53.747 52.037 -0.045 0.000 0.617 220 A CB -0.853 18.221 19.000 0.123 0.000 0.827 220 A HN 0.164 nan 8.150 nan 0.000 0.443 221 V N 0.097 119.940 119.914 -0.118 0.000 2.317 221 V HA -0.327 3.793 4.120 -0.000 0.000 0.251 221 V C 2.590 178.588 176.094 -0.159 0.000 1.065 221 V CA 2.501 64.662 62.300 -0.230 0.000 1.049 221 V CB -0.875 30.674 31.823 -0.457 0.000 0.651 221 V HN 0.556 nan 8.190 nan 0.000 0.450 222 R N -0.346 120.087 120.500 -0.111 0.000 2.223 222 R HA 0.089 4.429 4.340 -0.000 0.000 0.198 222 R C 1.263 177.521 176.300 -0.070 0.000 0.984 222 R CA -0.177 55.880 56.100 -0.073 0.000 1.018 222 R CB -0.088 30.182 30.300 -0.051 0.000 0.945 222 R HN 0.615 nan 8.270 nan 0.000 0.479 223 R N 2.109 122.559 120.500 -0.084 0.000 2.698 223 R HA -0.015 4.325 4.340 -0.000 0.000 0.266 223 R C -0.592 175.662 176.300 -0.076 0.000 1.026 223 R CA 0.167 56.222 56.100 -0.075 0.000 1.102 223 R CB 0.471 30.724 30.300 -0.079 0.000 0.978 223 R HN -0.136 nan 8.270 nan 0.000 0.436 224 E N 2.984 123.150 120.200 -0.057 0.000 2.070 224 E HA 0.086 4.436 4.350 -0.000 0.000 0.282 224 E C -0.622 175.943 176.600 -0.058 0.000 1.104 224 E CA -0.262 56.108 56.400 -0.050 0.000 0.876 224 E CB 1.310 30.988 29.700 -0.036 0.000 1.055 224 E HN 0.354 nan 8.360 nan 0.000 0.401 225 V N 4.305 124.178 119.914 -0.068 0.000 2.427 225 V HA 0.026 4.146 4.120 -0.000 0.000 0.268 225 V C 0.653 176.713 176.094 -0.057 0.000 1.046 225 V CA -0.236 62.020 62.300 -0.075 0.000 0.970 225 V CB 0.889 32.653 31.823 -0.098 0.000 1.001 225 V HN 0.551 nan 8.190 nan 0.000 0.476 226 T N 8.733 123.255 114.554 -0.054 0.000 2.928 226 T HA 0.140 4.490 4.350 -0.000 0.000 0.305 226 T C -2.263 172.406 174.700 -0.052 0.000 1.035 226 T CA -0.520 61.552 62.100 -0.046 0.000 1.145 226 T CB 0.511 69.354 68.868 -0.042 0.000 0.963 226 T HN 0.465 nan 8.240 nan 0.000 0.545 227 P HA 0.246 nan 4.420 nan 0.000 0.263 227 P C 0.990 178.254 177.300 -0.059 0.000 1.195 227 P CA 0.801 63.873 63.100 -0.045 0.000 0.762 227 P CB 0.296 31.977 31.700 -0.031 0.000 0.799 228 G N 2.013 110.763 108.800 -0.084 0.000 2.195 228 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.224 228 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.224 228 G C -0.072 174.729 174.900 -0.165 0.000 0.990 228 G CA -0.403 44.631 45.100 -0.109 0.000 0.639 228 G HN 0.532 nan 8.290 nan 0.000 0.514 229 E N 0.412 120.519 120.200 -0.155 0.000 2.212 229 E HA 0.514 4.864 4.350 -0.000 0.000 0.270 229 E C -0.732 175.752 176.600 -0.194 0.000 0.956 229 E CA -0.990 55.316 56.400 -0.156 0.000 0.825 229 E CB 1.046 30.697 29.700 -0.082 0.000 1.167 229 E HN 0.307 nan 8.360 nan 0.000 0.400 230 H N 2.212 121.250 119.070 -0.054 0.000 2.723 230 H HA 0.055 4.611 4.556 -0.000 0.000 0.294 230 H C 1.043 176.293 175.328 -0.130 0.000 1.079 230 H CA -0.076 55.933 56.048 -0.064 0.000 1.411 230 H CB 1.194 30.918 29.762 -0.063 0.000 1.439 230 H HN 0.552 nan 8.280 nan 0.000 0.474 231 R N 3.109 123.548 120.500 -0.101 0.000 2.190 231 R HA -0.219 4.121 4.340 -0.000 0.000 0.255 231 R C 0.186 176.165 176.300 -0.535 0.000 1.143 231 R CA 1.848 57.680 56.100 -0.447 0.000 0.965 231 R CB -0.392 29.412 30.300 -0.827 0.000 0.889 231 R HN 0.391 nan 8.270 nan 0.000 0.448 232 F N 1.427 121.414 119.950 0.062 0.000 2.899 232 F HA 0.358 4.885 4.527 -0.000 0.000 0.308 232 F C -0.269 175.513 175.800 -0.029 0.000 1.221 232 F CA -0.615 57.402 58.000 0.029 0.000 1.265 232 F CB -0.032 39.021 39.000 0.087 0.000 1.253 232 F HN -0.046 nan 8.300 nan 0.000 0.534 233 E N 0.409 120.653 120.200 0.073 0.000 2.324 233 E HA 0.368 4.718 4.350 -0.000 0.000 0.271 233 E C 1.175 177.797 176.600 0.037 0.000 1.028 233 E CA 0.555 56.977 56.400 0.036 0.000 0.890 233 E CB 0.911 30.628 29.700 0.029 0.000 1.004 233 E HN 0.660 nan 8.360 nan 0.000 0.431 234 G N 2.926 111.736 108.800 0.018 0.000 2.268 234 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.240 234 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.240 234 G C 0.948 175.873 174.900 0.042 0.000 1.010 234 G CA 0.551 45.666 45.100 0.024 0.000 0.618 234 G HN 0.622 nan 8.290 nan 0.000 0.516 235 T N -1.705 112.894 114.554 0.075 0.000 3.132 235 T HA 0.495 4.845 4.350 -0.000 0.000 0.274 235 T C 1.319 176.084 174.700 0.108 0.000 1.011 235 T CA 0.928 63.087 62.100 0.098 0.000 0.899 235 T CB 0.690 69.641 68.868 0.138 0.000 1.089 235 T HN 0.347 nan 8.240 nan 0.000 0.543 236 E N 2.012 122.246 120.200 0.058 0.000 2.065 236 E HA -0.198 4.152 4.350 -0.000 0.000 0.201 236 E C 2.136 178.848 176.600 0.187 0.000 1.016 236 E CA 1.832 58.255 56.400 0.038 0.000 0.818 236 E CB -0.074 29.467 29.700 -0.266 0.000 0.749 236 E HN 0.478 nan 8.360 nan 0.000 0.453 237 E N 0.305 120.568 120.200 0.106 0.000 2.110 237 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 237 E C 2.275 178.924 176.600 0.082 0.000 0.988 237 E CA 0.712 57.172 56.400 0.100 0.000 0.804 237 E CB -0.163 29.573 29.700 0.059 0.000 0.745 237 E HN 0.375 nan 8.360 nan 0.000 0.458 238 I N 0.675 121.291 120.570 0.076 0.000 2.113 238 I HA -0.283 3.887 4.170 -0.000 0.000 0.238 238 I C 2.551 178.705 176.117 0.063 0.000 1.070 238 I CA 0.667 62.006 61.300 0.066 0.000 1.332 238 I CB -0.242 37.801 38.000 0.072 0.000 1.044 238 I HN 0.102 nan 8.210 nan 0.000 0.402 239 L N 1.265 122.532 121.223 0.074 0.000 1.971 239 L HA -0.292 4.048 4.340 -0.000 0.000 0.215 239 L C 2.519 179.385 176.870 -0.007 0.000 1.072 239 L CA 2.042 56.899 54.840 0.028 0.000 0.758 239 L CB -0.793 41.241 42.059 -0.041 0.000 0.889 239 L HN 0.114 nan 8.230 nan 0.000 0.433 240 K N -0.989 119.431 120.400 0.032 0.000 2.034 240 K HA -0.277 4.043 4.320 -0.000 0.000 0.214 240 K C 1.971 178.549 176.600 -0.037 0.000 1.051 240 K CA 1.865 58.131 56.287 -0.035 0.000 0.931 240 K CB -0.418 32.110 32.500 0.046 0.000 0.715 240 K HN 0.502 nan 8.250 nan 0.000 0.446 241 A N 1.743 124.563 122.820 0.000 0.000 1.859 241 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 241 A C 2.081 179.653 177.584 -0.019 0.000 1.198 241 A CA 1.830 53.865 52.037 -0.004 0.000 0.629 241 A CB -0.648 18.360 19.000 0.013 0.000 0.830 241 A HN 0.312 nan 8.150 nan 0.000 0.446 242 R N -0.465 120.026 120.500 -0.015 0.000 2.105 242 R HA -0.120 4.220 4.340 -0.000 0.000 0.239 242 R C 1.961 178.219 176.300 -0.070 0.000 1.135 242 R CA 1.388 57.469 56.100 -0.032 0.000 0.967 242 R CB -0.810 29.482 30.300 -0.014 0.000 0.861 242 R HN 0.572 nan 8.270 nan 0.000 0.442 243 I N 0.312 120.830 120.570 -0.087 0.000 2.206 243 I HA -0.160 4.010 4.170 -0.000 0.000 0.239 243 I C 2.270 178.330 176.117 -0.095 0.000 1.078 243 I CA 0.675 61.902 61.300 -0.122 0.000 1.367 243 I CB -1.165 36.738 38.000 -0.162 0.000 1.078 243 I HN 0.028 nan 8.210 nan 0.000 0.413 244 L N 1.415 122.587 121.223 -0.085 0.000 2.261 244 L HA -0.107 4.233 4.340 -0.000 0.000 0.216 244 L C 2.624 179.474 176.870 -0.034 0.000 1.114 244 L CA 1.594 56.396 54.840 -0.064 0.000 0.777 244 L CB -1.188 40.832 42.059 -0.064 0.000 0.910 244 L HN 0.209 nan 8.230 nan 0.000 0.440 245 A N -2.034 120.768 122.820 -0.031 0.000 1.930 245 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 245 A C 2.592 180.182 177.584 0.009 0.000 1.175 245 A CA 1.861 53.892 52.037 -0.009 0.000 0.627 245 A CB -0.716 18.276 19.000 -0.013 0.000 0.815 245 A HN 0.400 nan 8.150 nan 0.000 0.443 246 S N -0.466 115.223 115.700 -0.018 0.000 2.345 246 S HA 0.010 4.480 4.470 -0.000 0.000 0.220 246 S C 2.242 176.864 174.600 0.036 0.000 1.031 246 S CA 1.468 59.663 58.200 -0.008 0.000 0.996 246 S CB -0.514 62.654 63.200 -0.052 0.000 0.882 246 S HN 0.815 nan 8.310 nan 0.000 0.445 247 A N 1.711 124.534 122.820 0.004 0.000 1.940 247 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 247 A C 2.179 179.786 177.584 0.039 0.000 1.176 247 A CA 1.843 53.887 52.037 0.011 0.000 0.631 247 A CB -0.748 18.237 19.000 -0.025 0.000 0.814 247 A HN 0.637 nan 8.150 nan 0.000 0.446 248 R N -1.432 119.091 120.500 0.040 0.000 2.096 248 R HA -0.195 4.145 4.340 -0.000 0.000 0.235 248 R C 2.288 178.648 176.300 0.100 0.000 1.127 248 R CA 1.654 57.783 56.100 0.049 0.000 0.968 248 R CB -0.451 29.864 30.300 0.026 0.000 0.861 248 R HN 0.762 nan 8.270 nan 0.000 0.440 249 H N 0.581 119.665 119.070 0.024 0.000 2.357 249 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 249 H C 1.781 177.162 175.328 0.088 0.000 1.082 249 H CA 1.865 57.946 56.048 0.054 0.000 1.342 249 H CB 0.186 29.961 29.762 0.022 0.000 1.389 249 H HN 0.020 nan 8.280 nan 0.000 0.511 250 K N 1.177 121.720 120.400 0.238 0.000 2.032 250 K HA -0.074 4.246 4.320 -0.000 0.000 0.209 250 K C 2.312 178.953 176.600 0.068 0.000 1.048 250 K CA 1.732 58.112 56.287 0.156 0.000 0.927 250 K CB -0.822 31.736 32.500 0.096 0.000 0.712 250 K HN 0.271 nan 8.250 nan 0.000 0.441 251 A N -0.547 122.306 122.820 0.054 0.000 1.933 251 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 251 A C 2.257 179.848 177.584 0.012 0.000 1.175 251 A CA 1.682 53.732 52.037 0.021 0.000 0.628 251 A CB -1.001 18.012 19.000 0.021 0.000 0.814 251 A HN 0.549 nan 8.150 nan 0.000 0.444 252 Y N 0.412 120.650 120.300 -0.104 0.000 2.242 252 Y HA -0.125 4.425 4.550 -0.000 0.000 0.291 252 Y C 2.284 178.093 175.900 -0.152 0.000 1.137 252 Y CA 1.714 59.729 58.100 -0.141 0.000 1.181 252 Y CB -0.067 38.271 38.460 -0.204 0.000 0.989 252 Y HN 0.080 nan 8.280 nan 0.000 0.527 253 V N -1.311 118.543 119.914 -0.100 0.000 2.453 253 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 253 V C 2.239 178.261 176.094 -0.119 0.000 1.048 253 V CA 1.536 63.767 62.300 -0.115 0.000 1.049 253 V CB -0.697 31.114 31.823 -0.020 0.000 0.672 253 V HN 0.283 nan 8.190 nan 0.000 0.457 254 V N -0.069 119.792 119.914 -0.088 0.000 2.427 254 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 254 V C 2.466 178.490 176.094 -0.116 0.000 1.051 254 V CA 2.209 64.463 62.300 -0.077 0.000 1.048 254 V CB -0.615 31.178 31.823 -0.050 0.000 0.666 254 V HN 0.560 nan 8.190 nan 0.000 0.456 255 S N -0.298 115.300 115.700 -0.170 0.000 2.474 255 S HA 0.152 4.622 4.470 -0.000 0.000 0.235 255 S C 1.054 175.518 174.600 -0.226 0.000 0.997 255 S CA 0.685 58.769 58.200 -0.195 0.000 0.949 255 S CB -0.243 62.819 63.200 -0.230 0.000 0.766 255 S HN 0.625 nan 8.310 nan 0.000 0.517 262 G N 1.232 110.028 108.800 -0.005 0.000 2.616 262 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.215 262 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.215 262 G C 1.737 176.647 174.900 0.017 0.000 1.284 262 G CA 1.076 46.178 45.100 0.003 0.000 0.823 262 G HN 0.352 nan 8.290 nan 0.000 0.569 263 L N 0.251 121.485 121.223 0.018 0.000 1.997 263 L HA -0.197 4.143 4.340 -0.000 0.000 0.216 263 L C 3.209 180.111 176.870 0.053 0.000 1.074 263 L CA 1.767 56.633 54.840 0.043 0.000 0.763 263 L CB -0.474 41.603 42.059 0.030 0.000 0.890 263 L HN 0.191 nan 8.230 nan 0.000 0.434 264 R N -0.241 120.273 120.500 0.024 0.000 2.119 264 R HA -0.246 4.094 4.340 -0.000 0.000 0.246 264 R C 2.062 178.379 176.300 0.029 0.000 1.146 264 R CA 2.041 58.155 56.100 0.023 0.000 0.962 264 R CB -0.767 29.534 30.300 0.001 0.000 0.863 264 R HN 0.516 nan 8.270 nan 0.000 0.442 265 N N 0.557 119.275 118.700 0.029 0.000 2.223 265 N HA -0.110 4.630 4.740 -0.000 0.000 0.185 265 N C 1.558 177.100 175.510 0.053 0.000 1.016 265 N CA 0.570 53.640 53.050 0.034 0.000 0.863 265 N CB 0.044 38.551 38.487 0.034 0.000 0.983 265 N HN 0.182 nan 8.380 nan 0.000 0.429 266 L N 0.682 121.946 121.223 0.068 0.000 2.362 266 L HA -0.089 4.251 4.340 -0.000 0.000 0.219 266 L C 1.591 178.529 176.870 0.112 0.000 1.134 266 L CA 0.430 55.326 54.840 0.092 0.000 0.807 266 L CB -0.213 41.898 42.059 0.086 0.000 0.927 266 L HN 0.279 nan 8.230 nan 0.000 0.447 267 L N -0.060 121.207 121.223 0.074 0.000 2.610 267 L HA -0.023 4.317 4.340 -0.000 0.000 0.232 267 L C 1.095 177.884 176.870 -0.136 0.000 1.149 267 L CA 0.268 55.122 54.840 0.024 0.000 0.872 267 L CB -0.310 41.764 42.059 0.025 0.000 0.992 267 L HN 0.329 nan 8.230 nan 0.000 0.447 268 N N -1.082 117.569 118.700 -0.082 0.000 2.234 268 N HA -0.010 4.730 4.740 -0.000 0.000 0.227 268 N C -0.238 175.302 175.510 0.050 0.000 1.151 268 N CA -0.217 52.714 53.050 -0.199 0.000 0.865 268 N CB 0.379 38.818 38.487 -0.079 0.000 1.066 268 N HN 0.207 nan 8.380 nan 0.000 0.515 269 W N 1.501 122.789 121.300 -0.020 0.000 2.251 269 W HA 0.334 4.994 4.660 -0.000 0.000 0.327 269 W C 1.322 177.910 176.519 0.115 0.000 1.361 269 W CA 1.180 58.548 57.345 0.037 0.000 1.234 269 W CB 0.242 29.716 29.460 0.023 0.000 1.212 269 W HN 0.357 nan 8.180 nan 0.000 0.557 270 G N 3.392 111.843 108.800 -0.582 0.000 2.304 270 G HA2 -0.438 3.522 3.960 -0.000 0.000 0.252 270 G HA3 -0.438 3.522 3.960 -0.000 0.000 0.252 270 G C 0.918 175.615 174.900 -0.339 0.000 1.014 270 G CA 0.720 45.446 45.100 -0.624 0.000 0.619 270 G HN 0.690 nan 8.290 nan 0.000 0.525 271 H N 0.829 119.685 119.070 -0.357 0.000 2.512 271 H HA 0.305 4.861 4.556 -0.000 0.000 0.279 271 H C 2.773 177.857 175.328 -0.408 0.000 0.999 271 H CA 1.504 57.252 56.048 -0.500 0.000 1.283 271 H CB 0.001 29.424 29.762 -0.565 0.000 1.421 271 H HN 0.434 nan 8.280 nan 0.000 0.554 272 S N 0.069 115.718 115.700 -0.085 0.000 2.351 272 S HA -0.117 4.353 4.470 -0.000 0.000 0.220 272 S C 2.122 176.700 174.600 -0.037 0.000 1.035 272 S CA 1.413 59.600 58.200 -0.023 0.000 1.031 272 S CB -0.157 63.046 63.200 0.005 0.000 0.928 272 S HN 0.329 nan 8.310 nan 0.000 0.433 273 I N 1.024 121.545 120.570 -0.083 0.000 2.584 273 I HA 0.004 4.174 4.170 -0.000 0.000 0.255 273 I C 2.647 178.703 176.117 -0.103 0.000 1.145 273 I CA 0.690 61.943 61.300 -0.079 0.000 1.462 273 I CB -0.854 37.089 38.000 -0.094 0.000 1.102 273 I HN 0.350 nan 8.210 nan 0.000 0.433 274 G N 0.458 109.145 108.800 -0.187 0.000 2.446 274 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 274 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 274 G C 1.439 176.289 174.900 -0.084 0.000 1.168 274 G CA 0.979 45.940 45.100 -0.232 0.000 0.771 274 G HN 0.436 nan 8.290 nan 0.000 0.551 275 H N 0.355 119.390 119.070 -0.058 0.000 2.387 275 H HA 0.045 4.601 4.556 -0.000 0.000 0.299 275 H C 2.970 178.283 175.328 -0.026 0.000 1.090 275 H CA 0.534 56.576 56.048 -0.009 0.000 1.332 275 H CB 0.130 29.909 29.762 0.029 0.000 1.386 275 H HN 0.446 nan 8.280 nan 0.000 0.516 276 A N 1.241 124.114 122.820 0.089 0.000 1.902 276 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 276 A C 2.259 179.849 177.584 0.011 0.000 1.181 276 A CA 1.274 53.328 52.037 0.029 0.000 0.623 276 A CB -0.342 18.661 19.000 0.005 0.000 0.818 276 A HN 0.247 nan 8.150 nan 0.000 0.443 277 I N -0.228 120.336 120.570 -0.010 0.000 2.163 277 I HA -0.213 3.957 4.170 -0.000 0.000 0.240 277 I C 2.481 178.594 176.117 -0.008 0.000 1.081 277 I CA 1.881 63.164 61.300 -0.029 0.000 1.353 277 I CB -1.486 36.478 38.000 -0.060 0.000 1.054 277 I HN 0.580 nan 8.210 nan 0.000 0.407 278 E N 1.244 121.452 120.200 0.013 0.000 2.118 278 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 278 E C 2.231 178.848 176.600 0.028 0.000 0.992 278 E CA 1.497 57.917 56.400 0.033 0.000 0.804 278 E CB 0.027 29.784 29.700 0.094 0.000 0.741 278 E HN 0.433 nan 8.360 nan 0.000 0.458 279 A N 0.617 123.453 122.820 0.026 0.000 2.024 279 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 279 A C 2.030 179.625 177.584 0.019 0.000 1.164 279 A CA 1.275 53.319 52.037 0.013 0.000 0.643 279 A CB -0.420 18.583 19.000 0.006 0.000 0.806 279 A HN 0.354 nan 8.150 nan 0.000 0.451 280 I N -1.179 119.401 120.570 0.017 0.000 2.556 280 I HA -0.064 4.106 4.170 -0.000 0.000 0.251 280 I C 1.949 178.071 176.117 0.009 0.000 1.105 280 I CA 0.673 61.982 61.300 0.014 0.000 1.436 280 I CB -0.217 37.784 38.000 0.002 0.000 1.139 280 I HN 0.198 nan 8.210 nan 0.000 0.438 281 L N 0.000 121.225 121.223 0.003 0.000 2.418 281 L HA 0.036 4.376 4.340 -0.000 0.000 0.218 281 L C 1.429 178.304 176.870 0.008 0.000 1.125 281 L CA 0.147 54.989 54.840 0.003 0.000 0.835 281 L CB -0.572 41.483 42.059 -0.006 0.000 0.953 281 L HN 0.216 nan 8.230 nan 0.000 0.454 282 T N 1.380 115.941 114.554 0.012 0.000 2.900 282 T HA 0.108 4.458 4.350 -0.000 0.000 0.307 282 T C -1.563 173.143 174.700 0.011 0.000 1.065 282 T CA -1.122 60.987 62.100 0.014 0.000 1.105 282 T CB 0.976 69.853 68.868 0.016 0.000 0.979 282 T HN 0.019 nan 8.240 nan 0.000 0.544 283 P HA 0.181 nan 4.420 nan 0.000 0.261 283 P C 0.530 177.838 177.300 0.013 0.000 1.352 283 P CA 0.067 63.174 63.100 0.012 0.000 0.891 283 P CB 0.430 32.135 31.700 0.008 0.000 1.383 284 Q N -0.104 119.703 119.800 0.012 0.000 2.123 284 Q HA 0.040 4.380 4.340 -0.000 0.000 0.199 284 Q C 0.922 176.929 176.000 0.012 0.000 0.966 284 Q CA 1.168 56.978 55.803 0.012 0.000 0.845 284 Q CB -0.127 28.618 28.738 0.011 0.000 0.907 284 Q HN 0.265 nan 8.270 nan 0.000 0.439 285 I N 1.147 121.723 120.570 0.011 0.000 2.377 285 I HA 0.238 4.408 4.170 -0.000 0.000 0.293 285 I C -0.020 176.105 176.117 0.015 0.000 0.987 285 I CA -0.883 60.422 61.300 0.008 0.000 1.185 285 I CB 0.863 38.862 38.000 -0.003 0.000 1.341 285 I HN 0.066 nan 8.210 nan 0.000 0.455 286 L N 4.060 125.293 121.223 0.017 0.000 2.466 286 L HA 0.189 4.529 4.340 -0.000 0.000 0.257 286 L C 1.804 178.699 176.870 0.041 0.000 1.189 286 L CA -0.461 54.400 54.840 0.036 0.000 0.813 286 L CB 0.130 42.210 42.059 0.036 0.000 1.118 286 L HN 0.604 nan 8.230 nan 0.000 0.471 287 H N 1.579 120.634 119.070 -0.025 0.000 2.265 287 H HA -0.168 4.388 4.556 -0.000 0.000 0.295 287 H C 1.809 177.089 175.328 -0.081 0.000 1.084 287 H CA 2.146 58.170 56.048 -0.040 0.000 1.261 287 H CB -0.294 29.460 29.762 -0.015 0.000 1.360 287 H HN 0.765 nan 8.280 nan 0.000 0.487 288 G N -0.037 108.656 108.800 -0.179 0.000 2.442 288 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.219 288 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.219 288 G C 1.552 176.330 174.900 -0.203 0.000 1.141 288 G CA 1.010 45.966 45.100 -0.239 0.000 0.763 288 G HN 0.612 nan 8.290 nan 0.000 0.554 289 E N -0.403 119.724 120.200 -0.120 0.000 2.051 289 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 289 E C 2.660 179.181 176.600 -0.131 0.000 0.991 289 E CA 1.083 57.429 56.400 -0.091 0.000 0.799 289 E CB -0.285 29.390 29.700 -0.042 0.000 0.748 289 E HN 0.447 nan 8.360 nan 0.000 0.449 290 C N 0.631 119.839 119.300 -0.154 0.000 2.453 290 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 290 C C 2.778 177.609 174.990 -0.265 0.000 1.262 290 C CA 0.282 59.200 59.018 -0.166 0.000 1.718 290 C CB -0.661 27.007 27.740 -0.119 0.000 2.031 290 C HN 0.252 nan 8.230 nan 0.000 0.480 291 V N 1.426 121.088 119.914 -0.421 0.000 2.568 291 V HA -0.215 3.905 4.120 -0.000 0.000 0.253 291 V C 2.595 178.457 176.094 -0.387 0.000 1.072 291 V CA 2.015 63.992 62.300 -0.539 0.000 1.084 291 V CB -1.183 30.142 31.823 -0.830 0.000 0.676 291 V HN 0.622 nan 8.190 nan 0.000 0.469 292 A N 0.525 123.181 122.820 -0.275 0.000 1.855 292 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 292 A C 2.086 179.561 177.584 -0.182 0.000 1.191 292 A CA 1.755 53.678 52.037 -0.190 0.000 0.613 292 A CB -0.436 18.497 19.000 -0.111 0.000 0.829 292 A HN 0.403 nan 8.150 nan 0.000 0.442 293 I N 0.286 120.761 120.570 -0.158 0.000 2.286 293 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 293 I C 2.647 178.658 176.117 -0.176 0.000 1.115 293 I CA 1.497 62.718 61.300 -0.131 0.000 1.392 293 I CB -2.182 35.754 38.000 -0.106 0.000 1.065 293 I HN 0.345 nan 8.210 nan 0.000 0.418 294 G N 0.880 109.536 108.800 -0.240 0.000 2.418 294 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 294 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 294 G C 1.774 176.443 174.900 -0.385 0.000 1.158 294 G CA 0.581 45.511 45.100 -0.284 0.000 0.771 294 G HN 0.271 nan 8.290 nan 0.000 0.545 295 M N -0.028 119.253 119.600 -0.532 0.000 2.117 295 M HA -0.055 4.425 4.480 -0.000 0.000 0.262 295 M C 2.694 178.754 176.300 -0.401 0.000 1.065 295 M CA 0.836 55.610 55.300 -0.876 0.000 1.114 295 M CB -0.361 31.633 32.600 -1.011 0.000 1.361 295 M HN 0.115 nan 8.290 nan 0.000 0.408 296 V N 0.709 120.499 119.914 -0.206 0.000 2.233 296 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 296 V C 2.462 178.531 176.094 -0.041 0.000 1.050 296 V CA 1.700 63.964 62.300 -0.060 0.000 1.010 296 V CB -0.763 31.032 31.823 -0.045 0.000 0.637 296 V HN 0.389 nan 8.190 nan 0.000 0.444 297 K N 0.253 120.605 120.400 -0.079 0.000 2.009 297 K HA -0.201 4.119 4.320 -0.000 0.000 0.210 297 K C 2.004 178.589 176.600 -0.026 0.000 1.049 297 K CA 1.691 57.946 56.287 -0.054 0.000 0.929 297 K CB -0.632 31.824 32.500 -0.075 0.000 0.714 297 K HN 0.585 nan 8.250 nan 0.000 0.440 298 E N 0.311 120.475 120.200 -0.059 0.000 2.333 298 E HA -0.114 4.236 4.350 -0.000 0.000 0.198 298 E C 1.763 178.467 176.600 0.173 0.000 1.007 298 E CA 0.798 57.213 56.400 0.025 0.000 0.845 298 E CB -0.008 29.652 29.700 -0.067 0.000 0.766 298 E HN 0.323 nan 8.360 nan 0.000 0.507 299 A N 0.942 123.867 122.820 0.176 0.000 1.975 299 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 299 A C 1.816 179.473 177.584 0.123 0.000 1.170 299 A CA 0.618 52.799 52.037 0.240 0.000 0.656 299 A CB -0.008 19.161 19.000 0.281 0.000 0.821 299 A HN 0.091 nan 8.150 nan 0.000 0.449 300 E N -0.591 119.657 120.200 0.081 0.000 2.107 300 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 300 E C 1.859 178.505 176.600 0.076 0.000 0.982 300 E CA 0.935 57.370 56.400 0.059 0.000 0.809 300 E CB -0.160 29.556 29.700 0.027 0.000 0.756 300 E HN 0.476 nan 8.360 nan 0.000 0.459 301 L N 1.023 122.291 121.223 0.076 0.000 2.046 301 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 301 L C 2.205 179.133 176.870 0.097 0.000 1.077 301 L CA 1.939 56.840 54.840 0.103 0.000 0.747 301 L CB -0.558 41.548 42.059 0.077 0.000 0.896 301 L HN 0.026 nan 8.230 nan 0.000 0.432 302 A N -0.501 122.356 122.820 0.061 0.000 1.972 302 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 302 A C 2.540 180.108 177.584 -0.027 0.000 1.169 302 A CA 1.778 53.807 52.037 -0.012 0.000 0.635 302 A CB -0.667 18.329 19.000 -0.006 0.000 0.810 302 A HN 0.529 nan 8.150 nan 0.000 0.446 303 R N -1.360 119.154 120.500 0.024 0.000 2.090 303 R HA -0.189 4.151 4.340 -0.000 0.000 0.228 303 R C 2.133 178.454 176.300 0.035 0.000 1.110 303 R CA 1.764 57.875 56.100 0.019 0.000 0.973 303 R CB -0.434 29.889 30.300 0.039 0.000 0.869 303 R HN 0.708 nan 8.270 nan 0.000 0.440 304 H N 0.524 119.579 119.070 -0.025 0.000 2.389 304 H HA -0.022 4.534 4.556 -0.000 0.000 0.299 304 H C 1.516 176.823 175.328 -0.035 0.000 1.081 304 H CA 1.697 57.731 56.048 -0.022 0.000 1.345 304 H CB -0.083 29.671 29.762 -0.014 0.000 1.393 304 H HN 0.203 nan 8.280 nan 0.000 0.520 305 L N -0.748 120.362 121.223 -0.188 0.000 2.599 305 L HA 0.208 4.548 4.340 -0.000 0.000 0.230 305 L C 1.699 178.450 176.870 -0.199 0.000 1.141 305 L CA 0.491 55.180 54.840 -0.251 0.000 0.877 305 L CB -0.027 41.926 42.059 -0.177 0.000 1.009 305 L HN 0.609 nan 8.230 nan 0.000 0.447 306 G N 0.051 108.760 108.800 -0.151 0.000 2.162 306 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 306 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 306 G C 0.833 175.660 174.900 -0.122 0.000 0.976 306 G CA 0.399 45.431 45.100 -0.113 0.000 0.655 306 G HN 0.222 nan 8.290 nan 0.000 0.533 307 I N -0.831 119.634 120.570 -0.175 0.000 2.277 307 I HA 0.250 4.420 4.170 -0.000 0.000 0.243 307 I C 1.479 177.518 176.117 -0.129 0.000 1.094 307 I CA 0.667 61.829 61.300 -0.231 0.000 1.393 307 I CB -0.861 36.874 38.000 -0.441 0.000 1.078 307 I HN 0.290 nan 8.210 nan 0.000 0.417 308 L N 0.806 121.972 121.223 -0.094 0.000 2.334 308 L HA 0.393 4.733 4.340 -0.000 0.000 0.275 308 L C -0.055 176.792 176.870 -0.038 0.000 1.036 308 L CA -0.445 54.359 54.840 -0.059 0.000 0.807 308 L CB 1.108 43.144 42.059 -0.038 0.000 1.231 308 L HN -0.130 nan 8.230 nan 0.000 0.438 309 K N 1.803 122.182 120.400 -0.035 0.000 2.174 309 K HA 0.466 4.786 4.320 -0.000 0.000 0.275 309 K C 1.017 177.609 176.600 -0.012 0.000 1.015 309 K CA 0.657 56.930 56.287 -0.023 0.000 0.933 309 K CB 1.396 33.881 32.500 -0.026 0.000 1.025 309 K HN 0.710 nan 8.250 nan 0.000 0.463 310 G N 1.412 110.211 108.800 -0.002 0.000 2.529 310 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.219 310 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.219 310 G C 1.222 176.127 174.900 0.010 0.000 1.177 310 G CA 1.576 46.681 45.100 0.009 0.000 0.773 310 G HN 0.544 nan 8.290 nan 0.000 0.573 311 V N -0.591 119.325 119.914 0.004 0.000 2.453 311 V HA -0.078 4.042 4.120 -0.000 0.000 0.252 311 V C 2.900 178.995 176.094 0.001 0.000 1.068 311 V CA 2.180 64.483 62.300 0.006 0.000 1.070 311 V CB -1.257 30.567 31.823 0.001 0.000 0.664 311 V HN 0.472 nan 8.190 nan 0.000 0.461 312 A N 0.471 123.279 122.820 -0.020 0.000 1.872 312 A HA -0.029 4.291 4.320 -0.000 0.000 0.214 312 A C 2.366 179.942 177.584 -0.014 0.000 1.187 312 A CA 1.920 53.925 52.037 -0.053 0.000 0.614 312 A CB -0.850 18.100 19.000 -0.085 0.000 0.826 312 A HN 0.470 nan 8.150 nan 0.000 0.442 313 V N 0.095 120.019 119.914 0.017 0.000 2.392 313 V HA -0.247 3.873 4.120 -0.000 0.000 0.249 313 V C 2.745 178.881 176.094 0.070 0.000 1.059 313 V CA 2.326 64.660 62.300 0.055 0.000 1.051 313 V CB -0.934 30.919 31.823 0.050 0.000 0.658 313 V HN 0.537 nan 8.190 nan 0.000 0.455 314 S N -0.611 115.122 115.700 0.056 0.000 2.368 314 S HA -0.178 4.292 4.470 -0.000 0.000 0.225 314 S C 2.138 176.799 174.600 0.103 0.000 1.030 314 S CA 1.492 59.732 58.200 0.067 0.000 0.999 314 S CB -0.282 62.948 63.200 0.050 0.000 0.844 314 S HN 0.547 nan 8.310 nan 0.000 0.459 315 R N 0.234 120.803 120.500 0.115 0.000 2.081 315 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 315 R C 2.045 178.556 176.300 0.352 0.000 1.131 315 R CA 1.225 57.452 56.100 0.211 0.000 0.960 315 R CB -0.493 29.913 30.300 0.177 0.000 0.856 315 R HN 0.295 nan 8.270 nan 0.000 0.436 316 I N 0.069 120.810 120.570 0.286 0.000 2.127 316 I HA -0.261 3.909 4.170 -0.000 0.000 0.241 316 I C 2.271 178.554 176.117 0.276 0.000 1.075 316 I CA 1.339 62.872 61.300 0.387 0.000 1.334 316 I CB -0.573 37.606 38.000 0.298 0.000 1.040 316 I HN -0.081 nan 8.210 nan 0.000 0.405 317 V N 0.565 120.585 119.914 0.176 0.000 2.295 317 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 317 V C 2.574 178.734 176.094 0.110 0.000 1.049 317 V CA 1.606 63.976 62.300 0.116 0.000 1.024 317 V CB -0.790 31.081 31.823 0.080 0.000 0.648 317 V HN 0.348 nan 8.190 nan 0.000 0.447 318 K N -0.395 120.076 120.400 0.118 0.000 2.026 318 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 318 K C 2.336 178.991 176.600 0.091 0.000 1.048 318 K CA 1.775 58.116 56.287 0.090 0.000 0.929 318 K CB -1.282 31.271 32.500 0.088 0.000 0.713 318 K HN 0.571 nan 8.250 nan 0.000 0.439 319 C N 1.514 120.899 119.300 0.142 0.000 2.432 319 C HA -0.057 4.403 4.460 -0.000 0.000 0.277 319 C C 2.770 177.856 174.990 0.160 0.000 1.249 319 C CA 0.494 59.572 59.018 0.101 0.000 1.725 319 C CB -1.070 26.668 27.740 -0.002 0.000 2.028 319 C HN 0.381 nan 8.230 nan 0.000 0.477 320 L N 1.065 122.384 121.223 0.160 0.000 2.012 320 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 320 L C 3.015 179.964 176.870 0.132 0.000 1.073 320 L CA 1.876 56.803 54.840 0.145 0.000 0.748 320 L CB -0.795 41.323 42.059 0.098 0.000 0.891 320 L HN 0.482 nan 8.230 nan 0.000 0.431 321 A N -0.200 122.673 122.820 0.087 0.000 1.930 321 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 321 A C 2.470 180.072 177.584 0.029 0.000 1.175 321 A CA 1.445 53.515 52.037 0.054 0.000 0.627 321 A CB -0.632 18.390 19.000 0.037 0.000 0.815 321 A HN 0.408 nan 8.150 nan 0.000 0.443 322 A N -2.079 120.738 122.820 -0.006 0.000 2.131 322 A HA -0.051 4.269 4.320 -0.000 0.000 0.220 322 A C 1.429 178.868 177.584 -0.242 0.000 1.158 322 A CA 1.160 53.117 52.037 -0.133 0.000 0.665 322 A CB -0.595 18.283 19.000 -0.202 0.000 0.795 322 A HN 0.574 nan 8.150 nan 0.000 0.460 323 Y N -0.785 119.525 120.300 0.016 0.000 2.658 323 Y HA 0.392 4.942 4.550 -0.000 0.000 0.276 323 Y C 1.630 177.560 175.900 0.051 0.000 1.167 323 Y CA -0.137 57.989 58.100 0.042 0.000 1.230 323 Y CB -0.011 38.475 38.460 0.045 0.000 1.144 323 Y HN 0.389 nan 8.280 nan 0.000 0.529 324 G N 0.480 109.350 108.800 0.117 0.000 2.175 324 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.265 324 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.265 324 G C 0.086 175.039 174.900 0.087 0.000 0.979 324 G CA 0.188 45.342 45.100 0.090 0.000 0.663 324 G HN 0.314 nan 8.290 nan 0.000 0.533 325 L N 1.987 123.269 121.223 0.097 0.000 2.375 325 L HA 0.458 4.798 4.340 -0.000 0.000 0.271 325 L C -1.209 175.681 176.870 0.032 0.000 1.107 325 L CA -2.173 52.702 54.840 0.057 0.000 0.806 325 L CB 1.090 43.178 42.059 0.048 0.000 1.146 325 L HN -0.032 nan 8.230 nan 0.000 0.447 326 P HA 0.100 nan 4.420 nan 0.000 0.274 326 P C -0.130 177.164 177.300 -0.009 0.000 1.231 326 P CA -0.268 62.832 63.100 0.000 0.000 0.790 326 P CB 1.108 32.803 31.700 -0.010 0.000 0.951 327 T N -3.469 111.082 114.554 -0.005 0.000 3.058 327 T HA 0.257 4.607 4.350 -0.000 0.000 0.278 327 T C 0.338 175.028 174.700 -0.016 0.000 0.974 327 T CA -0.124 61.971 62.100 -0.009 0.000 0.893 327 T CB -0.379 68.496 68.868 0.011 0.000 1.138 327 T HN 0.606 nan 8.240 nan 0.000 0.529 328 S N 0.319 116.010 115.700 -0.016 0.000 2.537 328 S HA 0.499 4.969 4.470 -0.000 0.000 0.271 328 S C 0.295 174.886 174.600 -0.015 0.000 1.148 328 S CA -0.992 57.198 58.200 -0.016 0.000 0.868 328 S CB 0.808 64.005 63.200 -0.005 0.000 1.115 328 S HN 0.117 nan 8.310 nan 0.000 0.461 329 L N 1.257 122.468 121.223 -0.020 0.000 2.549 329 L HA 0.002 4.342 4.340 -0.000 0.000 0.230 329 L C 1.980 178.854 176.870 0.005 0.000 1.162 329 L CA 0.621 55.452 54.840 -0.016 0.000 0.834 329 L CB -0.562 41.478 42.059 -0.031 0.000 0.947 329 L HN 0.627 nan 8.230 nan 0.000 0.452 330 K N -0.273 120.133 120.400 0.009 0.000 2.418 330 K HA -0.008 4.312 4.320 -0.000 0.000 0.195 330 K C 0.488 177.095 176.600 0.012 0.000 1.035 330 K CA 0.026 56.324 56.287 0.017 0.000 1.003 330 K CB -0.280 32.229 32.500 0.016 0.000 0.793 330 K HN 0.276 nan 8.250 nan 0.000 0.494 331 D N 1.256 121.660 120.400 0.007 0.000 2.586 331 D HA -0.093 4.547 4.640 -0.000 0.000 0.234 331 D C 0.992 177.297 176.300 0.009 0.000 1.132 331 D CA 0.235 54.239 54.000 0.007 0.000 0.860 331 D CB 1.073 41.875 40.800 0.003 0.000 1.159 331 D HN 0.111 nan 8.370 nan 0.000 0.490 332 A N 6.396 129.222 122.820 0.010 0.000 1.849 332 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 332 A C 2.224 179.814 177.584 0.010 0.000 1.202 332 A CA 1.853 53.896 52.037 0.010 0.000 0.629 332 A CB -0.383 18.622 19.000 0.009 0.000 0.834 332 A HN 0.814 nan 8.150 nan 0.000 0.447 333 R N -0.809 119.697 120.500 0.010 0.000 2.159 333 R HA -0.216 4.124 4.340 -0.000 0.000 0.249 333 R C 2.048 178.354 176.300 0.010 0.000 1.136 333 R CA 1.867 57.974 56.100 0.011 0.000 0.951 333 R CB -0.717 29.591 30.300 0.013 0.000 0.876 333 R HN 0.524 nan 8.270 nan 0.000 0.440 334 I N 0.630 121.206 120.570 0.008 0.000 2.076 334 I HA -0.301 3.869 4.170 -0.000 0.000 0.237 334 I C 2.480 178.603 176.117 0.011 0.000 1.059 334 I CA 1.482 62.786 61.300 0.007 0.000 1.317 334 I CB -1.128 36.873 38.000 0.002 0.000 1.037 334 I HN 0.131 nan 8.210 nan 0.000 0.398 335 R N 1.694 122.202 120.500 0.013 0.000 2.162 335 R HA -0.240 4.100 4.340 -0.000 0.000 0.245 335 R C 2.218 178.528 176.300 0.016 0.000 1.129 335 R CA 2.087 58.198 56.100 0.018 0.000 0.940 335 R CB -0.545 29.766 30.300 0.018 0.000 0.875 335 R HN 0.390 nan 8.270 nan 0.000 0.437 336 K N -0.141 120.266 120.400 0.013 0.000 2.026 336 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 336 K C 2.194 178.801 176.600 0.012 0.000 1.048 336 K CA 1.830 58.124 56.287 0.011 0.000 0.929 336 K CB -0.323 32.183 32.500 0.010 0.000 0.713 336 K HN 0.219 nan 8.250 nan 0.000 0.439 337 L N 0.946 122.176 121.223 0.012 0.000 2.131 337 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 337 L C 2.394 179.271 176.870 0.012 0.000 1.092 337 L CA 1.467 56.314 54.840 0.012 0.000 0.759 337 L CB -0.793 41.273 42.059 0.012 0.000 0.903 337 L HN 0.385 nan 8.230 nan 0.000 0.435 338 T N -4.004 110.558 114.554 0.013 0.000 3.086 338 T HA 0.428 4.778 4.350 -0.000 0.000 0.250 338 T C 1.159 175.870 174.700 0.018 0.000 1.074 338 T CA 0.299 62.408 62.100 0.015 0.000 0.988 338 T CB 0.522 69.400 68.868 0.016 0.000 0.988 338 T HN 0.321 nan 8.240 nan 0.000 0.530 339 A N 0.519 123.349 122.820 0.016 0.000 2.847 339 A HA 0.137 4.457 4.320 -0.000 0.000 0.263 339 A C 1.683 179.279 177.584 0.020 0.000 1.391 339 A CA 1.150 53.197 52.037 0.016 0.000 0.866 339 A CB -2.181 16.827 19.000 0.013 0.000 1.057 339 A HN 2.165 nan 8.150 nan 0.000 0.673 340 G N -2.030 106.787 108.800 0.027 0.000 2.148 340 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.203 340 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.203 340 G C -0.043 174.893 174.900 0.061 0.000 0.993 340 G CA 0.758 45.881 45.100 0.038 0.000 0.661 340 G HN 1.178 nan 8.290 nan 0.000 0.518 341 K N 1.208 121.639 120.400 0.053 0.000 2.430 341 K HA 0.137 4.457 4.320 -0.000 0.000 0.280 341 K C -0.009 176.647 176.600 0.095 0.000 1.063 341 K CA -0.102 56.220 56.287 0.060 0.000 1.071 341 K CB 0.020 32.539 32.500 0.032 0.000 0.899 341 K HN 0.440 nan 8.250 nan 0.000 0.473 342 H N 4.408 123.480 119.070 0.003 0.000 2.511 342 H HA 0.198 4.754 4.556 -0.000 0.000 0.328 342 H C -1.039 174.293 175.328 0.006 0.000 1.044 342 H CA -0.826 55.223 56.048 0.003 0.000 1.212 342 H CB 0.675 30.438 29.762 0.001 0.000 1.428 342 H HN 0.612 nan 8.280 nan 0.000 0.483 343 C N 5.404 124.403 119.300 -0.502 0.000 2.349 343 C HA 0.236 4.696 4.460 -0.000 0.000 0.348 343 C C 1.110 175.769 174.990 -0.551 0.000 1.223 343 C CA -0.712 58.084 59.018 -0.371 0.000 1.746 343 C CB -1.271 26.340 27.740 -0.215 0.000 2.360 343 C HN 0.744 nan 8.230 nan 0.000 0.533 344 S N 2.507 118.052 115.700 -0.258 0.000 2.632 344 S HA 0.344 4.814 4.470 -0.000 0.000 0.271 344 S C 0.875 175.448 174.600 -0.045 0.000 1.260 344 S CA -0.656 57.490 58.200 -0.089 0.000 1.010 344 S CB 0.931 64.172 63.200 0.068 0.000 0.965 344 S HN 0.491 nan 8.310 nan 0.000 0.534 345 V N 1.318 121.230 119.914 -0.003 0.000 2.594 345 V HA -0.127 3.993 4.120 -0.000 0.000 0.253 345 V C 1.985 178.094 176.094 0.026 0.000 1.069 345 V CA 1.947 64.249 62.300 0.004 0.000 1.082 345 V CB -0.916 30.915 31.823 0.013 0.000 0.680 345 V HN 0.841 nan 8.190 nan 0.000 0.469 346 D N -0.448 119.974 120.400 0.037 0.000 2.120 346 D HA -0.140 4.500 4.640 -0.000 0.000 0.202 346 D C 2.217 178.572 176.300 0.092 0.000 0.972 346 D CA 1.187 55.218 54.000 0.052 0.000 0.837 346 D CB 0.003 40.821 40.800 0.029 0.000 0.989 346 D HN 0.398 nan 8.370 nan 0.000 0.469 347 Q N 0.995 120.840 119.800 0.075 0.000 2.046 347 Q HA -0.052 4.288 4.340 -0.000 0.000 0.200 347 Q C 2.317 178.406 176.000 0.149 0.000 0.975 347 Q CA 0.991 56.872 55.803 0.130 0.000 0.836 347 Q CB -0.506 28.274 28.738 0.070 0.000 0.896 347 Q HN 0.243 nan 8.270 nan 0.000 0.428 348 L N -0.657 120.603 121.223 0.062 0.000 1.989 348 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 348 L C 2.351 179.250 176.870 0.049 0.000 1.071 348 L CA 1.190 56.050 54.840 0.033 0.000 0.749 348 L CB -0.464 41.590 42.059 -0.010 0.000 0.890 348 L HN 0.340 nan 8.230 nan 0.000 0.431 349 M N -1.366 118.273 119.600 0.065 0.000 2.279 349 M HA -0.208 4.272 4.480 -0.000 0.000 0.264 349 M C 2.255 178.614 176.300 0.098 0.000 1.062 349 M CA 1.555 56.894 55.300 0.065 0.000 1.099 349 M CB -1.078 31.562 32.600 0.066 0.000 1.394 349 M HN 0.216 nan 8.290 nan 0.000 0.426 350 F N 1.944 121.895 119.950 0.001 0.000 2.128 350 F HA -0.106 4.421 4.527 -0.000 0.000 0.295 350 F C 1.923 177.727 175.800 0.006 0.000 1.100 350 F CA 1.382 59.384 58.000 0.004 0.000 1.260 350 F CB -0.508 38.493 39.000 0.002 0.000 1.009 350 F HN 0.188 nan 8.300 nan 0.000 0.476 351 N N 0.253 118.851 118.700 -0.170 0.000 2.453 351 N HA -0.126 4.614 4.740 -0.000 0.000 0.183 351 N C 1.868 177.271 175.510 -0.178 0.000 1.041 351 N CA 1.228 54.128 53.050 -0.251 0.000 0.900 351 N CB -0.315 38.143 38.487 -0.047 0.000 0.961 351 N HN 0.423 nan 8.380 nan 0.000 0.443 352 M N -0.085 119.452 119.600 -0.105 0.000 2.236 352 M HA 0.054 4.534 4.480 -0.000 0.000 0.266 352 M C 1.871 178.125 176.300 -0.077 0.000 1.070 352 M CA 0.829 56.096 55.300 -0.054 0.000 1.137 352 M CB 0.019 32.609 32.600 -0.016 0.000 1.378 352 M HN 0.062 nan 8.290 nan 0.000 0.426 353 A N -0.237 122.514 122.820 -0.115 0.000 2.208 353 A HA -0.013 4.307 4.320 -0.000 0.000 0.209 353 A C 1.853 179.334 177.584 -0.171 0.000 1.161 353 A CA 0.507 52.483 52.037 -0.102 0.000 0.782 353 A CB -0.492 18.473 19.000 -0.058 0.000 0.816 353 A HN 0.415 nan 8.150 nan 0.000 0.477 354 L N -0.342 120.706 121.223 -0.291 0.000 2.376 354 L HA 0.067 4.407 4.340 -0.000 0.000 0.219 354 L C 0.534 177.307 176.870 -0.162 0.000 1.133 354 L CA 1.067 55.717 54.840 -0.317 0.000 0.816 354 L CB -0.412 41.383 42.059 -0.441 0.000 0.933 354 L HN 0.363 nan 8.230 nan 0.000 0.449 361 P HA 0.130 nan 4.420 nan 0.000 0.220 361 P C 0.406 177.722 177.300 0.026 0.000 1.148 361 P CA 1.043 64.158 63.100 0.025 0.000 0.803 361 P CB 0.221 31.935 31.700 0.023 0.000 0.782 362 K N -0.764 119.651 120.400 0.025 0.000 2.331 362 K HA 0.475 4.795 4.320 -0.000 0.000 0.238 362 K C -0.109 176.507 176.600 0.027 0.000 1.058 362 K CA -0.655 55.648 56.287 0.028 0.000 0.871 362 K CB 1.438 33.955 32.500 0.030 0.000 1.292 362 K HN -0.281 nan 8.250 nan 0.000 0.470 363 K N 1.472 121.891 120.400 0.032 0.000 2.513 363 K HA 0.297 4.617 4.320 -0.000 0.000 0.251 363 K C -0.998 175.627 176.600 0.042 0.000 0.939 363 K CA -0.571 55.735 56.287 0.032 0.000 0.793 363 K CB 2.147 34.664 32.500 0.030 0.000 1.241 363 K HN 0.394 nan 8.250 nan 0.000 0.431 364 K N 3.165 123.591 120.400 0.042 0.000 2.250 364 K HA 0.355 4.675 4.320 -0.000 0.000 0.280 364 K C -0.085 176.553 176.600 0.064 0.000 1.098 364 K CA -0.562 55.757 56.287 0.053 0.000 0.916 364 K CB 0.421 32.949 32.500 0.047 0.000 1.209 364 K HN 0.261 nan 8.250 nan 0.000 0.461 365 I N 3.069 123.686 120.570 0.078 0.000 2.441 365 I HA 0.178 4.348 4.170 -0.000 0.000 0.295 365 I C 0.342 176.543 176.117 0.139 0.000 0.994 365 I CA -1.235 60.123 61.300 0.097 0.000 1.144 365 I CB 1.575 39.627 38.000 0.087 0.000 1.314 365 I HN 0.186 nan 8.210 nan 0.000 0.445 366 V N 7.171 127.200 119.914 0.192 0.000 2.470 366 V HA 0.181 4.301 4.120 -0.000 0.000 0.276 366 V C 0.390 176.655 176.094 0.285 0.000 1.040 366 V CA -0.180 62.263 62.300 0.239 0.000 1.008 366 V CB 0.649 32.663 31.823 0.318 0.000 0.990 366 V HN 0.411 nan 8.190 nan 0.000 0.477 367 L N 6.345 127.671 121.223 0.172 0.000 2.329 367 L HA 0.600 4.940 4.340 -0.000 0.000 0.279 367 L C -0.421 176.460 176.870 0.017 0.000 1.014 367 L CA -0.441 54.467 54.840 0.114 0.000 0.814 367 L CB 1.712 43.815 42.059 0.072 0.000 1.257 367 L HN 0.409 nan 8.230 nan 0.000 0.424 368 L N 1.560 122.741 121.223 -0.071 0.000 2.334 368 L HA 0.398 4.738 4.340 -0.000 0.000 0.276 368 L C 0.801 177.615 176.870 -0.092 0.000 1.014 368 L CA -0.288 54.454 54.840 -0.164 0.000 0.815 368 L CB 2.079 43.914 42.059 -0.374 0.000 1.268 368 L HN 0.753 nan 8.230 nan 0.000 0.428 369 S N 0.487 116.154 115.700 -0.055 0.000 2.502 369 S HA 0.517 4.987 4.470 -0.000 0.000 0.215 369 S C 0.378 174.939 174.600 -0.065 0.000 1.009 369 S CA 0.122 58.304 58.200 -0.029 0.000 0.908 369 S CB 0.669 63.912 63.200 0.073 0.000 0.801 369 S HN 0.718 nan 8.310 nan 0.000 0.505 370 A N 0.536 123.290 122.820 -0.110 0.000 2.590 370 A HA 0.568 4.888 4.320 -0.000 0.000 0.294 370 A C -0.948 176.510 177.584 -0.210 0.000 1.046 370 A CA -0.914 51.044 52.037 -0.133 0.000 0.684 370 A CB 0.197 19.140 19.000 -0.094 0.000 1.279 370 A HN 0.298 nan 8.150 nan 0.000 0.415 371 I N 1.964 122.377 120.570 -0.263 0.000 2.845 371 I HA 0.248 4.418 4.170 -0.000 0.000 0.290 371 I C 1.526 177.465 176.117 -0.298 0.000 1.202 371 I CA 2.247 63.308 61.300 -0.399 0.000 1.406 371 I CB 0.338 37.992 38.000 -0.577 0.000 1.383 371 I HN 1.529 nan 8.210 nan 0.000 0.549 372 G N 3.812 112.435 108.800 -0.295 0.000 2.176 372 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.253 372 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.253 372 G C 0.298 175.110 174.900 -0.147 0.000 0.979 372 G CA 0.026 45.017 45.100 -0.183 0.000 0.641 372 G HN 0.564 nan 8.290 nan 0.000 0.530 373 T N 2.264 116.716 114.554 -0.169 0.000 3.008 373 T HA 0.538 4.888 4.350 -0.000 0.000 0.328 373 T C -2.763 171.866 174.700 -0.118 0.000 1.020 373 T CA -0.784 61.248 62.100 -0.114 0.000 1.043 373 T CB 2.964 71.783 68.868 -0.081 0.000 1.010 373 T HN 0.051 nan 8.240 nan 0.000 0.466 374 P HA 0.124 nan 4.420 nan 0.000 0.272 374 P C 0.111 177.425 177.300 0.024 0.000 1.223 374 P CA -0.452 62.605 63.100 -0.072 0.000 0.784 374 P CB 0.709 32.375 31.700 -0.057 0.000 0.923 375 Y N 1.931 122.184 120.300 -0.079 0.000 2.109 375 Y HA -0.041 4.509 4.550 -0.000 0.000 0.285 375 Y C 0.613 176.492 175.900 -0.034 0.000 1.131 375 Y CA 1.604 59.674 58.100 -0.049 0.000 1.121 375 Y CB 0.058 38.499 38.460 -0.032 0.000 0.987 375 Y HN 0.360 nan 8.280 nan 0.000 0.495 376 E N -1.192 118.947 120.200 -0.101 0.000 2.281 376 E HA 0.227 4.577 4.350 -0.000 0.000 0.262 376 E C 0.180 176.742 176.600 -0.064 0.000 0.933 376 E CA 0.124 56.413 56.400 -0.185 0.000 0.809 376 E CB 1.577 31.178 29.700 -0.165 0.000 1.242 376 E HN 0.142 nan 8.360 nan 0.000 0.418 377 T N -0.911 113.606 114.554 -0.062 0.000 3.380 377 T HA 0.124 4.474 4.350 -0.000 0.000 0.250 377 T C 0.279 174.975 174.700 -0.007 0.000 1.082 377 T CA -0.114 61.970 62.100 -0.026 0.000 0.968 377 T CB -0.602 68.250 68.868 -0.027 0.000 1.027 377 T HN 0.468 nan 8.240 nan 0.000 0.575 378 R N -1.154 119.346 120.500 -0.001 0.000 2.781 378 R HA 0.792 5.132 4.340 -0.000 0.000 0.268 378 R C -1.352 174.973 176.300 0.042 0.000 1.047 378 R CA -1.176 54.935 56.100 0.017 0.000 0.925 378 R CB 0.560 30.864 30.300 0.007 0.000 1.246 378 R HN -0.006 nan 8.270 nan 0.000 0.456 379 A N 1.188 124.040 122.820 0.053 0.000 2.401 379 A HA 0.503 4.823 4.320 -0.000 0.000 0.259 379 A C -0.340 177.293 177.584 0.081 0.000 1.103 379 A CA -0.441 51.642 52.037 0.077 0.000 0.789 379 A CB 0.407 19.450 19.000 0.071 0.000 1.035 379 A HN 0.630 nan 8.150 nan 0.000 0.491 380 S N 0.123 115.893 115.700 0.116 0.000 2.669 380 S HA 0.482 4.952 4.470 -0.000 0.000 0.270 380 S C -0.046 174.613 174.600 0.098 0.000 1.225 380 S CA -0.587 57.692 58.200 0.131 0.000 0.991 380 S CB 1.325 64.658 63.200 0.222 0.000 0.987 380 S HN 0.562 nan 8.310 nan 0.000 0.552 381 V N 2.185 122.153 119.914 0.091 0.000 2.394 381 V HA 0.485 4.605 4.120 -0.000 0.000 0.282 381 V C -0.512 175.622 176.094 0.067 0.000 1.031 381 V CA -0.391 61.949 62.300 0.067 0.000 0.881 381 V CB 1.209 33.064 31.823 0.054 0.000 0.982 381 V HN 0.629 nan 8.190 nan 0.000 0.451 382 V N 3.716 123.665 119.914 0.058 0.000 2.709 382 V HA 0.704 4.824 4.120 -0.000 0.000 0.308 382 V C 0.419 176.543 176.094 0.049 0.000 1.062 382 V CA -0.899 61.433 62.300 0.054 0.000 0.901 382 V CB 1.926 33.784 31.823 0.058 0.000 1.003 382 V HN 0.988 nan 8.190 nan 0.000 0.425 383 A N 3.038 125.887 122.820 0.048 0.000 2.498 383 A HA 0.207 4.527 4.320 -0.000 0.000 0.239 383 A C 1.124 178.735 177.584 0.046 0.000 1.068 383 A CA 0.137 52.201 52.037 0.045 0.000 0.766 383 A CB -0.238 18.790 19.000 0.046 0.000 1.003 383 A HN 0.952 nan 8.150 nan 0.000 0.497 384 N N 1.002 119.725 118.700 0.038 0.000 2.069 384 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 384 N C 1.805 177.334 175.510 0.032 0.000 1.031 384 N CA 1.795 54.866 53.050 0.034 0.000 0.852 384 N CB -0.178 38.329 38.487 0.032 0.000 1.018 384 N HN 0.817 nan 8.380 nan 0.000 0.423 385 E N 0.794 121.016 120.200 0.036 0.000 2.118 385 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 385 E C 0.726 177.348 176.600 0.037 0.000 0.992 385 E CA 1.256 57.676 56.400 0.034 0.000 0.804 385 E CB -0.532 29.191 29.700 0.039 0.000 0.741 385 E HN 0.394 nan 8.360 nan 0.000 0.458 386 D N 0.870 121.313 120.400 0.072 0.000 2.178 386 D HA -0.010 4.630 4.640 -0.000 0.000 0.202 386 D C 2.191 178.508 176.300 0.028 0.000 0.974 386 D CA 0.723 54.797 54.000 0.124 0.000 0.841 386 D CB -0.022 40.897 40.800 0.197 0.000 0.953 386 D HN 0.291 nan 8.370 nan 0.000 0.478 387 I N 0.501 121.087 120.570 0.026 0.000 2.500 387 I HA -0.114 4.056 4.170 -0.000 0.000 0.252 387 I C 1.992 178.094 176.117 -0.024 0.000 1.142 387 I CA 0.513 61.815 61.300 0.004 0.000 1.451 387 I CB -0.064 37.947 38.000 0.018 0.000 1.093 387 I HN -0.165 nan 8.210 nan 0.000 0.430 388 R N 0.593 121.082 120.500 -0.018 0.000 2.357 388 R HA -0.071 4.269 4.340 -0.000 0.000 0.202 388 R C 2.062 178.331 176.300 -0.052 0.000 1.047 388 R CA 0.914 57.001 56.100 -0.022 0.000 1.034 388 R CB -0.220 30.077 30.300 -0.004 0.000 0.875 388 R HN 0.415 nan 8.270 nan 0.000 0.473 389 V N -1.744 118.108 119.914 -0.103 0.000 3.052 389 V HA 0.014 4.134 4.120 -0.000 0.000 0.254 389 V C 1.517 177.520 176.094 -0.151 0.000 1.100 389 V CA 0.703 62.903 62.300 -0.166 0.000 1.112 389 V CB 0.431 32.038 31.823 -0.362 0.000 0.738 389 V HN 0.109 nan 8.190 nan 0.000 0.469 390 V N -2.080 117.762 119.914 -0.120 0.000 3.342 390 V HA 0.515 4.635 4.120 -0.000 0.000 0.322 390 V C 0.153 176.214 176.094 -0.055 0.000 1.370 390 V CA -0.271 61.980 62.300 -0.082 0.000 1.170 390 V CB -0.362 31.424 31.823 -0.062 0.000 1.101 390 V HN 0.283 nan 8.190 nan 0.000 0.442 391 L N 2.301 123.494 121.223 -0.049 0.000 2.316 391 L HA 0.984 5.324 4.340 -0.000 0.000 0.280 391 L C 0.086 176.938 176.870 -0.030 0.000 1.006 391 L CA -0.090 54.726 54.840 -0.040 0.000 0.836 391 L CB 0.758 42.797 42.059 -0.034 0.000 1.221 391 L HN 0.503 nan 8.230 nan 0.000 0.418 392 A N 0.000 122.804 122.820 -0.027 0.000 2.254 392 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 392 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 392 A CB 0.000 19.004 19.000 0.007 0.000 0.831 392 A HN 0.000 nan 8.150 nan 0.000 0.486