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 1m1y_1_P DATA FIRST_RESID 1 DATA SEQUENCE AMRQCAIYGK GGIGKSTTTQ NLVAALAEMG KKVMIVGCDP KADSTRLILH DATA SEQUENCE SKAQNTIMEM AAEAGTVEDL ELEDVLKAGY GGVKCVESGG PEPGVGCAGR DATA SEQUENCE GVITAINFLE EEGAYEDDLD FVFYDVLGDV VCGGFAMPIR ENKAQEIYIV DATA SEQUENCE CSGEMMAMYA ANNISKGIVK YANSGSVRLG GLICNSRNTD REDELIIALA DATA SEQUENCE NKLGTQMIHF VPRDNVVQRA EIRRMTVIEY DPKAKQADEY RALARKVVDN DATA SEQUENCE KLLVIPNPIT MDELEELLME FGIMEVEDES IVGKTAEEV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.504 177.584 -0.133 0.000 1.274 1 A CA 0.000 51.987 52.037 -0.084 0.000 0.836 1 A CB 0.000 18.965 19.000 -0.058 0.000 0.831 2 M N 2.095 121.622 119.600 -0.122 0.000 2.113 2 M HA 0.517 4.997 4.480 -0.000 0.000 0.352 2 M C -0.771 175.413 176.300 -0.193 0.000 1.170 2 M CA -0.357 54.848 55.300 -0.159 0.000 1.053 2 M CB 0.588 33.145 32.600 -0.072 0.000 1.601 2 M HN 0.306 nan 8.290 nan 0.000 0.459 3 R N 4.037 124.333 120.500 -0.340 0.000 2.254 3 R HA 0.281 4.621 4.340 -0.000 0.000 0.318 3 R C -0.848 175.345 176.300 -0.179 0.000 1.031 3 R CA -0.324 55.608 56.100 -0.280 0.000 0.905 3 R CB 1.009 31.062 30.300 -0.412 0.000 1.050 3 R HN 0.653 nan 8.270 nan 0.000 0.456 4 Q N 2.704 122.457 119.800 -0.078 0.000 2.398 4 Q HA 0.286 4.626 4.340 -0.000 0.000 0.251 4 Q C -0.872 175.142 176.000 0.022 0.000 0.999 4 Q CA -0.451 55.352 55.803 -0.001 0.000 0.874 4 Q CB 1.350 30.139 28.738 0.084 0.000 1.215 4 Q HN 0.583 nan 8.270 nan 0.000 0.470 5 C N 1.559 120.818 119.300 -0.069 0.000 2.470 5 C HA 0.957 5.417 4.460 -0.000 0.000 0.341 5 C C 0.065 175.189 174.990 0.224 0.000 1.190 5 C CA -0.664 58.370 59.018 0.027 0.000 1.904 5 C CB 1.252 29.002 27.740 0.016 0.000 2.354 5 C HN 0.842 nan 8.230 nan 0.000 0.509 6 A N 2.026 125.048 122.820 0.337 0.000 2.427 6 A HA 0.768 5.088 4.320 -0.000 0.000 0.298 6 A C -1.118 176.720 177.584 0.422 0.000 1.036 6 A CA -0.284 52.006 52.037 0.421 0.000 0.701 6 A CB 0.605 19.850 19.000 0.409 0.000 1.250 6 A HN 0.676 nan 8.150 nan 0.000 0.412 7 I N 2.637 123.412 120.570 0.343 0.000 2.304 7 I HA 0.334 4.504 4.170 -0.000 0.000 0.291 7 I C -0.723 175.477 176.117 0.139 0.000 1.018 7 I CA -0.261 61.200 61.300 0.269 0.000 1.260 7 I CB -0.010 38.091 38.000 0.168 0.000 1.390 7 I HN 0.599 nan 8.210 nan 0.000 0.475 8 Y N 3.447 123.789 120.300 0.070 0.000 2.567 8 Y HA 0.816 5.366 4.550 -0.000 0.000 0.333 8 Y C 0.843 176.741 175.900 -0.002 0.000 1.106 8 Y CA -0.252 57.855 58.100 0.011 0.000 1.157 8 Y CB 2.278 40.737 38.460 -0.003 0.000 1.277 8 Y HN 0.723 nan 8.280 nan 0.000 0.490 9 G N 1.420 110.284 108.800 0.107 0.000 2.336 9 G HA2 0.134 4.094 3.960 -0.000 0.000 0.300 9 G HA3 0.134 4.094 3.960 -0.000 0.000 0.300 9 G C -1.894 172.997 174.900 -0.014 0.000 1.375 9 G CA -1.231 43.898 45.100 0.048 0.000 0.885 9 G HN 0.513 nan 8.290 nan 0.000 0.599 10 K N -0.203 120.196 120.400 -0.002 0.000 2.230 10 K HA 0.520 4.840 4.320 -0.000 0.000 0.253 10 K C 1.092 177.671 176.600 -0.036 0.000 1.008 10 K CA 0.378 56.657 56.287 -0.014 0.000 0.910 10 K CB 0.440 32.950 32.500 0.018 0.000 0.994 10 K HN 0.821 nan 8.250 nan 0.000 0.495 11 G N -0.430 108.346 108.800 -0.041 0.000 2.563 11 G HA2 0.342 4.302 3.960 -0.000 0.000 0.283 11 G HA3 0.342 4.302 3.960 -0.000 0.000 0.283 11 G C 0.251 175.136 174.900 -0.025 0.000 1.309 11 G CA -0.233 44.840 45.100 -0.046 0.000 1.022 11 G HN 0.882 nan 8.290 nan 0.000 0.501 12 G N -1.153 107.631 108.800 -0.027 0.000 2.422 12 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.301 12 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.301 12 G C 0.528 175.418 174.900 -0.018 0.000 0.981 12 G CA 1.023 46.111 45.100 -0.019 0.000 0.994 12 G HN 1.705 nan 8.290 nan 0.000 0.514 13 I N -5.048 115.508 120.570 -0.023 0.000 3.336 13 I HA 0.526 4.696 4.170 -0.000 0.000 0.323 13 I C 1.264 177.363 176.117 -0.030 0.000 1.520 13 I CA -0.078 61.209 61.300 -0.021 0.000 0.959 13 I CB 0.337 38.330 38.000 -0.011 0.000 1.463 13 I HN 0.884 nan 8.210 nan 0.000 0.571 14 G N 2.433 111.211 108.800 -0.037 0.000 2.166 14 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.260 14 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.260 14 G C 0.988 175.856 174.900 -0.054 0.000 0.986 14 G CA 1.103 46.176 45.100 -0.044 0.000 0.683 14 G HN 0.672 nan 8.290 nan 0.000 0.527 15 K N 0.530 120.900 120.400 -0.050 0.000 1.987 15 K HA -0.141 4.179 4.320 -0.000 0.000 0.216 15 K C 2.692 179.246 176.600 -0.078 0.000 1.051 15 K CA 2.144 58.398 56.287 -0.054 0.000 0.942 15 K CB -0.464 32.007 32.500 -0.048 0.000 0.722 15 K HN 0.367 nan 8.250 nan 0.000 0.444 16 S N 0.208 115.861 115.700 -0.079 0.000 2.387 16 S HA -0.168 4.302 4.470 -0.000 0.000 0.230 16 S C 1.940 176.471 174.600 -0.114 0.000 1.035 16 S CA 1.960 60.107 58.200 -0.088 0.000 1.014 16 S CB -0.564 62.592 63.200 -0.074 0.000 0.836 16 S HN 0.478 nan 8.310 nan 0.000 0.466 17 T N 1.725 116.212 114.554 -0.111 0.000 2.698 17 T HA -0.074 4.276 4.350 -0.000 0.000 0.260 17 T C 2.166 176.736 174.700 -0.216 0.000 1.044 17 T CA 1.648 63.665 62.100 -0.139 0.000 1.149 17 T CB -0.786 68.023 68.868 -0.098 0.000 0.864 17 T HN 0.392 nan 8.240 nan 0.000 0.419 18 T N 1.875 116.322 114.554 -0.179 0.000 2.624 18 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 18 T C 2.221 176.722 174.700 -0.332 0.000 1.041 18 T CA 1.941 63.898 62.100 -0.239 0.000 1.159 18 T CB -0.828 67.982 68.868 -0.097 0.000 0.863 18 T HN 0.400 nan 8.240 nan 0.000 0.434 19 T N 1.812 116.221 114.554 -0.242 0.000 2.570 19 T HA -0.203 4.147 4.350 -0.000 0.000 0.266 19 T C 2.122 176.614 174.700 -0.346 0.000 1.071 19 T CA 1.712 63.645 62.100 -0.280 0.000 1.172 19 T CB -0.477 68.286 68.868 -0.175 0.000 0.864 19 T HN 0.463 nan 8.240 nan 0.000 0.421 20 Q N 0.431 120.068 119.800 -0.272 0.000 2.112 20 Q HA -0.132 4.208 4.340 -0.000 0.000 0.206 20 Q C 2.442 178.241 176.000 -0.334 0.000 0.987 20 Q CA 1.267 56.916 55.803 -0.256 0.000 0.858 20 Q CB -0.142 28.483 28.738 -0.188 0.000 0.905 20 Q HN 0.467 nan 8.270 nan 0.000 0.420 21 N N 0.264 118.684 118.700 -0.468 0.000 2.188 21 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 21 N C 1.787 176.950 175.510 -0.578 0.000 1.018 21 N CA 0.679 53.354 53.050 -0.625 0.000 0.858 21 N CB -0.119 37.640 38.487 -1.213 0.000 0.989 21 N HN 0.167 nan 8.380 nan 0.000 0.426 22 L N 1.558 122.435 121.223 -0.576 0.000 1.970 22 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 22 L C 2.153 178.779 176.870 -0.408 0.000 1.071 22 L CA 1.521 56.086 54.840 -0.459 0.000 0.751 22 L CB -0.968 40.789 42.059 -0.503 0.000 0.889 22 L HN -0.138 nan 8.230 nan 0.000 0.432 23 V N 0.447 120.098 119.914 -0.438 0.000 2.332 23 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 23 V C 2.861 178.865 176.094 -0.150 0.000 1.055 23 V CA 1.746 63.866 62.300 -0.300 0.000 1.038 23 V CB -1.452 30.243 31.823 -0.214 0.000 0.651 23 V HN 0.690 nan 8.190 nan 0.000 0.450 24 A N 0.016 122.732 122.820 -0.173 0.000 1.865 24 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 24 A C 2.449 180.022 177.584 -0.018 0.000 1.191 24 A CA 2.370 54.345 52.037 -0.104 0.000 0.623 24 A CB -0.975 17.853 19.000 -0.287 0.000 0.826 24 A HN 0.607 nan 8.150 nan 0.000 0.444 25 A N -1.059 121.709 122.820 -0.086 0.000 1.933 25 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 25 A C 2.081 179.651 177.584 -0.023 0.000 1.175 25 A CA 1.732 53.752 52.037 -0.028 0.000 0.628 25 A CB -0.556 18.425 19.000 -0.033 0.000 0.814 25 A HN 0.520 nan 8.150 nan 0.000 0.444 26 L N -0.576 120.600 121.223 -0.079 0.000 2.131 26 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 26 L C 2.718 179.595 176.870 0.011 0.000 1.092 26 L CA 1.740 56.532 54.840 -0.080 0.000 0.759 26 L CB -0.639 41.313 42.059 -0.178 0.000 0.903 26 L HN 0.380 nan 8.230 nan 0.000 0.435 27 A N -1.193 121.662 122.820 0.058 0.000 1.872 27 A HA -0.173 4.147 4.320 -0.000 0.000 0.214 27 A C 2.165 179.797 177.584 0.079 0.000 1.187 27 A CA 1.370 53.464 52.037 0.095 0.000 0.614 27 A CB -0.494 18.611 19.000 0.176 0.000 0.826 27 A HN 0.486 nan 8.150 nan 0.000 0.442 28 E N -0.299 119.971 120.200 0.116 0.000 2.070 28 E HA -0.254 4.096 4.350 -0.000 0.000 0.197 28 E C 2.020 178.649 176.600 0.048 0.000 1.004 28 E CA 1.756 58.208 56.400 0.086 0.000 0.805 28 E CB -0.382 29.380 29.700 0.103 0.000 0.744 28 E HN 0.678 nan 8.360 nan 0.000 0.451 29 M N -1.116 118.510 119.600 0.044 0.000 2.337 29 M HA -0.128 4.352 4.480 -0.000 0.000 0.261 29 M C 1.564 177.890 176.300 0.044 0.000 1.067 29 M CA 1.512 56.836 55.300 0.040 0.000 1.074 29 M CB -0.001 32.623 32.600 0.040 0.000 1.395 29 M HN 0.391 nan 8.290 nan 0.000 0.431 30 G N -0.169 108.659 108.800 0.046 0.000 2.192 30 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.193 30 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.193 30 G C -0.171 174.768 174.900 0.064 0.000 0.999 30 G CA -0.577 44.548 45.100 0.042 0.000 0.659 30 G HN 0.256 nan 8.290 nan 0.000 0.503 31 K N 1.204 121.662 120.400 0.097 0.000 2.297 31 K HA 0.339 4.659 4.320 -0.000 0.000 0.286 31 K C 0.288 176.970 176.600 0.136 0.000 1.053 31 K CA -0.279 56.101 56.287 0.154 0.000 0.940 31 K CB 1.292 33.947 32.500 0.258 0.000 1.019 31 K HN 0.274 nan 8.250 nan 0.000 0.475 32 K N 2.250 122.724 120.400 0.123 0.000 2.316 32 K HA 0.230 4.550 4.320 -0.000 0.000 0.289 32 K C -0.151 176.530 176.600 0.137 0.000 1.070 32 K CA -0.321 56.020 56.287 0.091 0.000 0.928 32 K CB 0.800 33.332 32.500 0.053 0.000 1.039 32 K HN 0.217 nan 8.250 nan 0.000 0.480 33 V N 3.553 123.545 119.914 0.130 0.000 3.113 33 V HA 0.531 4.651 4.120 -0.000 0.000 0.316 33 V C -0.457 175.694 176.094 0.095 0.000 1.125 33 V CA -1.138 61.263 62.300 0.168 0.000 1.026 33 V CB 2.032 33.993 31.823 0.231 0.000 1.080 33 V HN 0.776 nan 8.190 nan 0.000 0.444 34 M N 2.629 122.283 119.600 0.090 0.000 2.324 34 M HA 0.624 5.104 4.480 -0.000 0.000 0.288 34 M C -2.139 174.169 176.300 0.012 0.000 1.097 34 M CA -0.306 54.999 55.300 0.008 0.000 0.928 34 M CB 1.761 34.315 32.600 -0.077 0.000 1.648 34 M HN 0.562 nan 8.290 nan 0.000 0.460 35 I N 4.504 125.074 120.570 -0.000 0.000 2.493 35 I HA 0.560 4.730 4.170 -0.000 0.000 0.298 35 I C -0.952 175.138 176.117 -0.045 0.000 0.998 35 I CA -1.063 60.241 61.300 0.006 0.000 1.137 35 I CB 2.085 40.097 38.000 0.019 0.000 1.310 35 I HN 0.385 nan 8.210 nan 0.000 0.445 36 V N 4.582 124.462 119.914 -0.057 0.000 2.419 36 V HA 0.376 4.496 4.120 -0.000 0.000 0.287 36 V C 0.480 176.613 176.094 0.065 0.000 1.017 36 V CA -0.617 61.676 62.300 -0.011 0.000 0.844 36 V CB 1.589 33.391 31.823 -0.034 0.000 1.011 36 V HN 0.924 nan 8.190 nan 0.000 0.429 37 G N 2.651 111.479 108.800 0.046 0.000 2.361 37 G HA2 0.305 4.265 3.960 -0.000 0.000 0.260 37 G HA3 0.305 4.265 3.960 -0.000 0.000 0.260 37 G C 0.428 175.368 174.900 0.067 0.000 1.261 37 G CA -0.028 45.096 45.100 0.041 0.000 0.897 37 G HN 0.856 nan 8.290 nan 0.000 0.499 38 C N 2.097 121.429 119.300 0.053 0.000 3.240 38 C HA 0.206 4.666 4.460 -0.000 0.000 0.271 38 C C 0.432 175.443 174.990 0.035 0.000 1.534 38 C CA -0.830 58.231 59.018 0.071 0.000 1.796 38 C CB -0.897 26.892 27.740 0.081 0.000 2.892 38 C HN 0.807 nan 8.230 nan 0.000 0.566 39 D N 1.482 121.877 120.400 -0.009 0.000 2.317 39 D HA 0.274 4.914 4.640 -0.000 0.000 0.234 39 D C -1.494 174.819 176.300 0.022 0.000 1.112 39 D CA -1.630 52.341 54.000 -0.049 0.000 0.840 39 D CB 1.385 42.137 40.800 -0.080 0.000 1.078 39 D HN -0.031 nan 8.370 nan 0.000 0.486 40 P HA -0.228 nan 4.420 nan 0.000 0.218 40 P C 1.161 178.491 177.300 0.050 0.000 1.146 40 P CA 0.921 64.085 63.100 0.107 0.000 0.820 40 P CB 0.207 32.018 31.700 0.184 0.000 0.778 41 K N -0.008 120.404 120.400 0.021 0.000 2.209 41 K HA -0.041 4.279 4.320 -0.000 0.000 0.204 41 K C 0.427 177.029 176.600 0.003 0.000 1.048 41 K CA 1.076 57.366 56.287 0.006 0.000 0.940 41 K CB -0.909 31.584 32.500 -0.012 0.000 0.729 41 K HN 0.061 nan 8.250 nan 0.000 0.451 42 A N 2.414 125.236 122.820 0.002 0.000 1.726 42 A HA -0.135 4.185 4.320 -0.000 0.000 0.224 42 A C -0.130 177.449 177.584 -0.009 0.000 1.317 42 A CA 1.123 53.160 52.037 0.000 0.000 0.685 42 A CB -1.633 17.371 19.000 0.005 0.000 1.175 42 A HN 0.629 nan 8.150 nan 0.000 0.230 43 D N -0.028 120.362 120.400 -0.017 0.000 2.902 43 D HA 0.015 4.655 4.640 -0.000 0.000 0.331 43 D C 0.422 176.702 176.300 -0.032 0.000 1.519 43 D CA 0.421 54.407 54.000 -0.023 0.000 0.925 43 D CB -1.065 39.720 40.800 -0.025 0.000 1.620 43 D HN 0.488 nan 8.370 nan 0.000 0.390 44 S N 0.092 115.774 115.700 -0.030 0.000 2.607 44 S HA -0.001 4.469 4.470 -0.000 0.000 0.224 44 S C 1.724 176.299 174.600 -0.042 0.000 0.969 44 S CA 1.341 59.518 58.200 -0.038 0.000 0.927 44 S CB 0.102 63.286 63.200 -0.027 0.000 0.772 44 S HN 0.621 nan 8.310 nan 0.000 0.533 45 T N -1.152 113.380 114.554 -0.037 0.000 2.954 45 T HA 0.229 4.579 4.350 -0.000 0.000 0.252 45 T C 1.469 176.141 174.700 -0.046 0.000 0.983 45 T CA -0.445 61.630 62.100 -0.042 0.000 0.941 45 T CB -0.047 68.801 68.868 -0.033 0.000 1.141 45 T HN 0.126 nan 8.240 nan 0.000 0.500 46 R N 1.198 121.678 120.500 -0.034 0.000 2.159 46 R HA -0.079 4.261 4.340 -0.000 0.000 0.252 46 R C 2.009 178.298 176.300 -0.018 0.000 1.144 46 R CA 1.962 58.050 56.100 -0.021 0.000 0.961 46 R CB -0.963 29.328 30.300 -0.015 0.000 0.877 46 R HN 0.358 nan 8.270 nan 0.000 0.444 47 L N 0.506 121.706 121.223 -0.037 0.000 2.549 47 L HA -0.089 4.251 4.340 -0.000 0.000 0.229 47 L C 1.758 178.591 176.870 -0.062 0.000 1.158 47 L CA 0.363 55.182 54.840 -0.035 0.000 0.842 47 L CB -0.040 41.975 42.059 -0.074 0.000 0.952 47 L HN 0.264 nan 8.230 nan 0.000 0.452 48 I N -1.152 119.356 120.570 -0.102 0.000 3.445 48 I HA -0.038 4.132 4.170 -0.000 0.000 0.288 48 I C 1.884 177.818 176.117 -0.306 0.000 1.198 48 I CA 0.871 62.084 61.300 -0.144 0.000 1.417 48 I CB 0.021 37.974 38.000 -0.079 0.000 1.205 48 I HN 0.180 nan 8.210 nan 0.000 0.448 49 L N -0.109 120.969 121.223 -0.243 0.000 2.567 49 L HA 0.106 4.446 4.340 -0.000 0.000 0.225 49 L C 0.951 177.689 176.870 -0.218 0.000 1.119 49 L CA 0.159 54.842 54.840 -0.261 0.000 0.871 49 L CB -0.311 41.689 42.059 -0.099 0.000 1.036 49 L HN 0.266 nan 8.230 nan 0.000 0.459 50 H N -2.204 116.870 119.070 0.006 0.000 4.158 50 H HA -0.197 4.359 4.556 -0.000 0.000 0.150 50 H C 1.284 176.611 175.328 -0.003 0.000 0.823 50 H CA 0.825 56.875 56.048 0.002 0.000 1.252 50 H CB -1.389 28.382 29.762 0.015 0.000 0.889 50 H HN 0.404 nan 8.280 nan 0.000 0.437 51 S N 0.611 116.360 115.700 0.083 0.000 2.573 51 S HA 0.116 4.586 4.470 -0.000 0.000 0.277 51 S C 1.601 176.219 174.600 0.030 0.000 1.346 51 S CA 0.613 58.841 58.200 0.046 0.000 1.034 51 S CB 1.435 64.645 63.200 0.017 0.000 0.879 51 S HN 0.525 nan 8.310 nan 0.000 0.528 52 K N 1.977 122.389 120.400 0.020 0.000 2.167 52 K HA 0.200 4.520 4.320 -0.000 0.000 0.203 52 K C 0.063 176.664 176.600 0.002 0.000 1.052 52 K CA 0.999 57.292 56.287 0.010 0.000 0.956 52 K CB -0.065 32.439 32.500 0.007 0.000 0.735 52 K HN 0.720 nan 8.250 nan 0.000 0.451 53 A N 1.519 124.341 122.820 0.002 0.000 2.495 53 A HA 0.120 4.440 4.320 -0.000 0.000 0.297 53 A C -1.186 176.396 177.584 -0.003 0.000 1.036 53 A CA -0.719 51.316 52.037 -0.002 0.000 0.982 53 A CB 0.767 19.766 19.000 -0.003 0.000 1.476 53 A HN 0.286 nan 8.150 nan 0.000 0.393 54 Q N 1.667 121.463 119.800 -0.006 0.000 2.474 54 Q HA 0.108 4.448 4.340 -0.000 0.000 0.256 54 Q C -0.243 175.753 176.000 -0.007 0.000 1.048 54 Q CA -0.209 55.590 55.803 -0.007 0.000 0.922 54 Q CB 0.435 29.166 28.738 -0.010 0.000 1.288 54 Q HN 0.750 nan 8.270 nan 0.000 0.484 55 N N 2.458 121.153 118.700 -0.008 0.000 2.411 55 N HA 0.050 4.790 4.740 -0.000 0.000 0.259 55 N C -0.393 175.107 175.510 -0.017 0.000 1.103 55 N CA 0.101 53.143 53.050 -0.012 0.000 0.954 55 N CB 0.975 39.455 38.487 -0.013 0.000 1.085 55 N HN 0.588 nan 8.380 nan 0.000 0.485 56 T N -0.522 114.021 114.554 -0.019 0.000 2.899 56 T HA 0.218 4.568 4.350 -0.000 0.000 0.295 56 T C 1.787 176.459 174.700 -0.047 0.000 1.033 56 T CA -0.628 61.459 62.100 -0.023 0.000 1.084 56 T CB 0.751 69.611 68.868 -0.013 0.000 0.979 56 T HN 0.180 nan 8.240 nan 0.000 0.532 57 I N 2.081 122.613 120.570 -0.063 0.000 2.069 57 I HA -0.185 3.985 4.170 -0.000 0.000 0.237 57 I C 2.640 178.690 176.117 -0.111 0.000 1.053 57 I CA 1.664 62.888 61.300 -0.128 0.000 1.311 57 I CB -0.601 37.305 38.000 -0.156 0.000 1.030 57 I HN 0.645 nan 8.210 nan 0.000 0.398 58 M N -0.278 119.278 119.600 -0.074 0.000 2.252 58 M HA -0.264 4.216 4.480 -0.000 0.000 0.257 58 M C 2.098 178.369 176.300 -0.048 0.000 1.077 58 M CA 1.637 56.904 55.300 -0.055 0.000 1.066 58 M CB -1.496 31.086 32.600 -0.030 0.000 1.380 58 M HN 0.413 nan 8.290 nan 0.000 0.412 59 E N -0.194 119.979 120.200 -0.045 0.000 2.014 59 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 59 E C 1.999 178.574 176.600 -0.042 0.000 0.980 59 E CA 1.066 57.445 56.400 -0.035 0.000 0.807 59 E CB -0.193 29.491 29.700 -0.026 0.000 0.770 59 E HN 0.483 nan 8.360 nan 0.000 0.451 60 M N 0.841 120.409 119.600 -0.053 0.000 2.358 60 M HA -0.084 4.396 4.480 -0.000 0.000 0.264 60 M C 2.281 178.540 176.300 -0.068 0.000 1.064 60 M CA 1.180 56.447 55.300 -0.054 0.000 1.093 60 M CB -0.132 32.432 32.600 -0.060 0.000 1.401 60 M HN 0.094 nan 8.290 nan 0.000 0.440 61 A N 0.452 123.218 122.820 -0.089 0.000 1.970 61 A HA 0.207 4.527 4.320 -0.000 0.000 0.216 61 A C 2.199 179.751 177.584 -0.054 0.000 1.170 61 A CA 1.373 53.354 52.037 -0.093 0.000 0.645 61 A CB -0.561 18.367 19.000 -0.121 0.000 0.816 61 A HN 0.469 nan 8.150 nan 0.000 0.447 62 A N -0.449 122.346 122.820 -0.043 0.000 2.302 62 A HA 0.247 4.567 4.320 -0.000 0.000 0.219 62 A C 0.679 178.250 177.584 -0.022 0.000 1.243 62 A CA 0.312 52.333 52.037 -0.028 0.000 0.856 62 A CB -0.274 18.712 19.000 -0.024 0.000 0.893 62 A HN 0.537 nan 8.150 nan 0.000 0.491 63 E N -1.325 118.860 120.200 -0.024 0.000 3.306 63 E HA 0.485 4.835 4.350 -0.000 0.000 0.197 63 E C 0.251 176.842 176.600 -0.015 0.000 0.980 63 E CA 0.467 56.857 56.400 -0.017 0.000 1.259 63 E CB 0.760 30.450 29.700 -0.017 0.000 1.112 63 E HN 0.460 nan 8.360 nan 0.000 0.458 64 A N -0.385 122.426 122.820 -0.016 0.000 2.461 64 A HA 0.530 4.850 4.320 -0.000 0.000 0.149 64 A C 1.063 178.644 177.584 -0.006 0.000 1.814 64 A CA 0.445 52.477 52.037 -0.010 0.000 1.337 64 A CB 0.480 19.473 19.000 -0.013 0.000 1.556 64 A HN 0.403 nan 8.150 nan 0.000 0.392 65 G N -1.157 107.637 108.800 -0.011 0.000 1.672 65 G HA2 0.053 4.013 3.960 -0.000 0.000 0.110 65 G HA3 0.053 4.013 3.960 -0.000 0.000 0.110 65 G C 0.875 175.769 174.900 -0.009 0.000 1.946 65 G CA 0.987 46.083 45.100 -0.006 0.000 1.302 65 G HN 0.615 nan 8.290 nan 0.000 0.416 66 T N -0.624 113.927 114.554 -0.005 0.000 3.480 66 T HA 0.552 4.902 4.350 -0.000 0.000 0.229 66 T C 1.585 176.272 174.700 -0.021 0.000 0.944 66 T CA 2.360 64.457 62.100 -0.005 0.000 1.388 66 T CB 0.236 69.111 68.868 0.011 0.000 1.180 66 T HN 0.779 nan 8.240 nan 0.000 0.414 67 V N 0.522 120.430 119.914 -0.011 0.000 4.905 67 V HA 0.083 4.203 4.120 -0.000 0.000 0.134 67 V C 0.358 176.450 176.094 -0.003 0.000 1.269 67 V CA -0.033 62.233 62.300 -0.055 0.000 1.048 67 V CB -0.126 31.694 31.823 -0.005 0.000 1.229 67 V HN 0.482 nan 8.190 nan 0.000 0.644 68 E N 2.047 122.340 120.200 0.155 0.000 2.357 68 E HA -0.047 4.303 4.350 -0.000 0.000 0.194 68 E C 0.638 177.338 176.600 0.167 0.000 1.177 68 E CA 0.735 57.310 56.400 0.293 0.000 0.998 68 E CB -0.971 28.861 29.700 0.220 0.000 1.106 68 E HN 0.711 nan 8.360 nan 0.000 0.470 69 D N 0.206 120.661 120.400 0.090 0.000 2.249 69 D HA 0.017 4.657 4.640 -0.000 0.000 0.205 69 D C 0.830 177.167 176.300 0.061 0.000 0.962 69 D CA 0.311 54.343 54.000 0.054 0.000 0.860 69 D CB -0.054 40.757 40.800 0.018 0.000 0.955 69 D HN 0.293 nan 8.370 nan 0.000 0.505 70 L N -0.978 120.289 121.223 0.073 0.000 2.585 70 L HA 0.791 5.131 4.340 -0.000 0.000 0.260 70 L C -0.209 176.785 176.870 0.208 0.000 1.085 70 L CA -1.401 53.490 54.840 0.083 0.000 0.913 70 L CB -0.374 41.689 42.059 0.006 0.000 1.638 70 L HN -0.358 nan 8.230 nan 0.000 0.531 71 E N -1.026 119.296 120.200 0.204 0.000 2.356 71 E HA 0.421 4.771 4.350 -0.000 0.000 0.275 71 E C 0.400 177.149 176.600 0.248 0.000 0.904 71 E CA -0.640 55.905 56.400 0.242 0.000 0.757 71 E CB 1.360 31.125 29.700 0.108 0.000 1.232 71 E HN 0.684 nan 8.360 nan 0.000 0.442 72 L N 1.203 122.564 121.223 0.231 0.000 2.357 72 L HA -0.095 4.245 4.340 -0.000 0.000 0.220 72 L C 1.088 178.015 176.870 0.095 0.000 1.123 72 L CA 1.651 56.600 54.840 0.183 0.000 0.782 72 L CB -1.041 41.043 42.059 0.042 0.000 0.910 72 L HN 0.553 nan 8.230 nan 0.000 0.442 73 E N 1.800 122.042 120.200 0.071 0.000 2.130 73 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 73 E C 1.195 177.817 176.600 0.036 0.000 0.998 73 E CA 1.774 58.198 56.400 0.040 0.000 0.806 73 E CB -0.131 29.589 29.700 0.033 0.000 0.738 73 E HN 0.927 nan 8.360 nan 0.000 0.459 74 D N -1.693 118.735 120.400 0.046 0.000 2.440 74 D HA 0.051 4.691 4.640 -0.000 0.000 0.216 74 D C 1.186 177.501 176.300 0.025 0.000 1.150 74 D CA -0.011 54.005 54.000 0.028 0.000 0.832 74 D CB 0.238 41.049 40.800 0.019 0.000 0.992 74 D HN -0.026 nan 8.370 nan 0.000 0.502 75 V N -0.467 119.475 119.914 0.048 0.000 3.151 75 V HA 0.224 4.344 4.120 -0.000 0.000 0.241 75 V C 0.237 176.355 176.094 0.039 0.000 1.173 75 V CA -0.080 62.244 62.300 0.040 0.000 1.154 75 V CB 0.310 32.176 31.823 0.071 0.000 0.898 75 V HN 0.162 nan 8.190 nan 0.000 0.473 76 L N 2.013 123.265 121.223 0.048 0.000 2.265 76 L HA 0.671 5.011 4.340 -0.000 0.000 0.289 76 L C -0.573 176.297 176.870 0.002 0.000 1.033 76 L CA -0.177 54.673 54.840 0.018 0.000 0.814 76 L CB 0.747 42.812 42.059 0.010 0.000 1.203 76 L HN -0.011 nan 8.230 nan 0.000 0.423 77 K N 3.916 124.310 120.400 -0.009 0.000 2.203 77 K HA 0.829 5.149 4.320 -0.000 0.000 0.251 77 K C -0.832 175.754 176.600 -0.024 0.000 0.944 77 K CA -0.314 55.964 56.287 -0.015 0.000 0.829 77 K CB 2.071 34.561 32.500 -0.016 0.000 1.125 77 K HN 0.635 nan 8.250 nan 0.000 0.430 78 A N 1.742 124.547 122.820 -0.024 0.000 2.249 78 A HA 0.690 5.010 4.320 -0.000 0.000 0.314 78 A C 0.264 177.826 177.584 -0.036 0.000 1.290 78 A CA -0.130 51.890 52.037 -0.029 0.000 0.893 78 A CB 0.415 19.399 19.000 -0.027 0.000 1.165 78 A HN 0.692 nan 8.150 nan 0.000 0.530 79 G N 0.342 109.118 108.800 -0.040 0.000 2.890 79 G HA2 0.440 4.400 3.960 -0.000 0.000 0.189 79 G HA3 0.440 4.400 3.960 -0.000 0.000 0.189 79 G C -0.087 174.806 174.900 -0.012 0.000 1.342 79 G CA -0.695 44.369 45.100 -0.060 0.000 1.026 79 G HN 0.799 nan 8.290 nan 0.000 0.579 80 Y N 0.588 120.812 120.300 -0.128 0.000 2.960 80 Y HA 0.227 4.777 4.550 -0.000 0.000 0.345 80 Y C 1.478 177.354 175.900 -0.039 0.000 1.277 80 Y CA 1.237 59.302 58.100 -0.059 0.000 1.508 80 Y CB 0.253 38.688 38.460 -0.043 0.000 1.317 80 Y HN 1.322 nan 8.280 nan 0.000 0.639 81 G N 2.979 111.267 108.800 -0.853 0.000 2.296 81 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.282 81 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.282 81 G C 1.070 175.871 174.900 -0.166 0.000 1.014 81 G CA 0.986 45.781 45.100 -0.508 0.000 0.812 81 G HN 2.250 nan 8.290 nan 0.000 0.508 82 G N -2.594 106.125 108.800 -0.135 0.000 2.212 82 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.267 82 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.267 82 G C 0.609 175.493 174.900 -0.028 0.000 1.002 82 G CA 0.684 45.744 45.100 -0.067 0.000 0.729 82 G HN 1.667 nan 8.290 nan 0.000 0.517 83 V N 0.087 119.999 119.914 -0.004 0.000 2.740 83 V HA 0.253 4.373 4.120 -0.000 0.000 0.303 83 V C 0.879 176.970 176.094 -0.004 0.000 1.054 83 V CA 0.397 62.708 62.300 0.018 0.000 1.106 83 V CB 1.177 33.028 31.823 0.047 0.000 0.957 83 V HN 0.370 nan 8.190 nan 0.000 0.486 84 K N 3.729 124.123 120.400 -0.010 0.000 2.206 84 K HA 0.694 5.014 4.320 -0.000 0.000 0.264 84 K C -0.883 175.699 176.600 -0.031 0.000 0.967 84 K CA -0.416 55.854 56.287 -0.029 0.000 0.844 84 K CB 1.391 33.863 32.500 -0.048 0.000 1.099 84 K HN 0.885 nan 8.250 nan 0.000 0.441 85 C N 0.236 119.518 119.300 -0.031 0.000 2.783 85 C HA 0.792 5.252 4.460 -0.000 0.000 0.312 85 C C -0.421 174.556 174.990 -0.021 0.000 1.182 85 C CA -1.143 57.858 59.018 -0.029 0.000 1.432 85 C CB 0.261 27.986 27.740 -0.025 0.000 1.933 85 C HN 0.660 nan 8.230 nan 0.000 0.473 86 V N -1.303 118.601 119.914 -0.015 0.000 2.888 86 V HA 0.719 4.839 4.120 -0.000 0.000 0.309 86 V C -0.964 175.136 176.094 0.011 0.000 1.114 86 V CA -0.459 61.842 62.300 0.002 0.000 0.940 86 V CB 1.851 33.685 31.823 0.018 0.000 1.021 86 V HN 0.959 nan 8.190 nan 0.000 0.426 87 E N 2.393 122.599 120.200 0.010 0.000 2.166 87 E HA 0.467 4.817 4.350 -0.000 0.000 0.275 87 E C 0.264 176.877 176.600 0.022 0.000 0.941 87 E CA -0.542 55.868 56.400 0.016 0.000 0.784 87 E CB 2.194 31.897 29.700 0.005 0.000 1.115 87 E HN 0.785 nan 8.360 nan 0.000 0.399 88 S N 1.827 117.552 115.700 0.042 0.000 2.380 88 S HA 0.018 4.488 4.470 -0.000 0.000 0.217 88 S C 0.812 175.423 174.600 0.019 0.000 1.036 88 S CA 0.976 59.203 58.200 0.045 0.000 1.050 88 S CB -0.131 63.112 63.200 0.071 0.000 1.016 88 S HN 0.811 nan 8.310 nan 0.000 0.419 89 G N -0.363 108.452 108.800 0.025 0.000 2.542 89 G HA2 0.405 4.365 3.960 -0.000 0.000 0.391 89 G HA3 0.405 4.365 3.960 -0.000 0.000 0.391 89 G C -0.321 174.594 174.900 0.025 0.000 1.551 89 G CA -0.682 44.426 45.100 0.013 0.000 0.946 89 G HN 0.585 nan 8.290 nan 0.000 0.662 90 G N 2.539 111.354 108.800 0.025 0.000 2.432 90 G HA2 0.605 4.565 3.960 -0.000 0.000 0.239 90 G HA3 0.605 4.565 3.960 -0.000 0.000 0.239 90 G C -1.233 173.680 174.900 0.021 0.000 1.291 90 G CA -0.400 44.721 45.100 0.035 0.000 0.863 90 G HN 0.633 nan 8.290 nan 0.000 0.560 91 P HA 0.130 nan 4.420 nan 0.000 0.272 91 P C -0.368 176.934 177.300 0.002 0.000 1.223 91 P CA -0.306 62.796 63.100 0.002 0.000 0.784 91 P CB 1.069 32.761 31.700 -0.012 0.000 0.923 92 E N 2.866 123.064 120.200 -0.004 0.000 2.328 92 E HA 0.141 4.491 4.350 -0.000 0.000 0.265 92 E C -1.956 174.643 176.600 -0.001 0.000 1.057 92 E CA -1.603 54.795 56.400 -0.003 0.000 0.916 92 E CB -0.728 28.969 29.700 -0.006 0.000 0.993 92 E HN 0.312 nan 8.360 nan 0.000 0.446 93 P HA -0.187 nan 4.420 nan 0.000 0.262 93 P C 1.002 178.302 177.300 0.001 0.000 1.151 93 P CA 1.629 64.731 63.100 0.004 0.000 0.757 93 P CB 0.398 32.101 31.700 0.006 0.000 0.754 94 G N 1.842 110.643 108.800 0.001 0.000 3.163 94 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.227 94 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.227 94 G C 0.123 175.020 174.900 -0.006 0.000 1.300 94 G CA 0.420 45.519 45.100 -0.001 0.000 0.867 94 G HN 0.810 nan 8.290 nan 0.000 0.533 95 V N -1.761 118.149 119.914 -0.007 0.000 2.384 95 V HA 0.886 5.006 4.120 -0.000 0.000 0.287 95 V C 0.391 176.477 176.094 -0.014 0.000 1.020 95 V CA -0.064 62.230 62.300 -0.010 0.000 0.850 95 V CB 0.788 32.607 31.823 -0.007 0.000 0.987 95 V HN 2.411 nan 8.190 nan 0.000 0.436 96 G N 2.093 110.881 108.800 -0.020 0.000 2.931 96 G HA2 0.051 4.011 3.960 -0.000 0.000 0.675 96 G HA3 0.051 4.011 3.960 -0.000 0.000 0.675 96 G C -0.640 174.235 174.900 -0.042 0.000 1.339 96 G CA -0.385 44.699 45.100 -0.025 0.000 0.866 96 G HN 1.688 nan 8.290 nan 0.000 0.616 97 C N 3.753 123.022 119.300 -0.052 0.000 2.394 97 C HA 0.716 5.176 4.460 -0.000 0.000 0.362 97 C C 2.161 177.090 174.990 -0.101 0.000 1.268 97 C CA 0.687 59.651 59.018 -0.090 0.000 1.828 97 C CB -0.124 27.567 27.740 -0.082 0.000 2.442 97 C HN 2.027 nan 8.230 nan 0.000 0.549 98 A N 5.234 127.958 122.820 -0.161 0.000 1.892 98 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 98 A C 2.285 179.818 177.584 -0.086 0.000 1.188 98 A CA 2.462 54.426 52.037 -0.122 0.000 0.631 98 A CB -1.378 17.495 19.000 -0.210 0.000 0.822 98 A HN 1.425 nan 8.150 nan 0.000 0.447 99 G N -0.307 108.401 108.800 -0.154 0.000 2.513 99 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.219 99 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.219 99 G C 1.738 176.626 174.900 -0.021 0.000 1.160 99 G CA 1.281 46.341 45.100 -0.066 0.000 0.767 99 G HN 0.535 nan 8.290 nan 0.000 0.571 100 R N 1.179 121.660 120.500 -0.032 0.000 2.115 100 R HA -0.125 4.215 4.340 -0.000 0.000 0.239 100 R C 2.731 179.034 176.300 0.005 0.000 1.133 100 R CA 2.370 58.464 56.100 -0.011 0.000 0.935 100 R CB -1.494 28.795 30.300 -0.018 0.000 0.853 100 R HN 0.287 nan 8.270 nan 0.000 0.433 101 G N 0.268 109.069 108.800 0.002 0.000 2.517 101 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.222 101 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.222 101 G C 1.601 176.523 174.900 0.036 0.000 1.109 101 G CA 1.110 46.218 45.100 0.014 0.000 0.746 101 G HN 0.296 nan 8.290 nan 0.000 0.576 102 V N 0.945 120.888 119.914 0.049 0.000 2.239 102 V HA -0.089 4.031 4.120 -0.000 0.000 0.242 102 V C 2.503 178.647 176.094 0.084 0.000 1.038 102 V CA 1.408 63.755 62.300 0.078 0.000 1.002 102 V CB -0.664 31.206 31.823 0.077 0.000 0.641 102 V HN 0.427 nan 8.190 nan 0.000 0.449 103 I N 1.114 121.719 120.570 0.059 0.000 2.113 103 I HA -0.389 3.781 4.170 -0.000 0.000 0.242 103 I C 2.794 178.965 176.117 0.090 0.000 1.064 103 I CA 2.690 64.028 61.300 0.063 0.000 1.320 103 I CB -0.387 37.636 38.000 0.039 0.000 1.028 103 I HN 0.650 nan 8.210 nan 0.000 0.406 104 T N -0.700 113.897 114.554 0.071 0.000 2.778 104 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 104 T C 1.779 176.549 174.700 0.117 0.000 1.050 104 T CA 1.273 63.420 62.100 0.079 0.000 1.137 104 T CB -0.766 68.123 68.868 0.034 0.000 0.860 104 T HN 0.505 nan 8.240 nan 0.000 0.468 105 A N 0.971 123.859 122.820 0.114 0.000 1.970 105 A HA 0.301 4.621 4.320 -0.000 0.000 0.216 105 A C 2.307 180.041 177.584 0.251 0.000 1.170 105 A CA 0.764 52.890 52.037 0.148 0.000 0.645 105 A CB -0.499 18.567 19.000 0.110 0.000 0.816 105 A HN 0.597 nan 8.150 nan 0.000 0.447 106 I N -0.120 120.598 120.570 0.246 0.000 2.141 106 I HA -0.220 3.950 4.170 -0.000 0.000 0.236 106 I C 2.063 178.362 176.117 0.303 0.000 1.071 106 I CA 1.441 62.934 61.300 0.322 0.000 1.345 106 I CB -0.737 37.417 38.000 0.256 0.000 1.066 106 I HN 0.210 nan 8.210 nan 0.000 0.406 107 N N 0.903 119.731 118.700 0.214 0.000 2.182 107 N HA -0.268 4.472 4.740 -0.000 0.000 0.192 107 N C 1.620 177.259 175.510 0.214 0.000 1.007 107 N CA 1.530 54.686 53.050 0.177 0.000 0.873 107 N CB -0.511 38.055 38.487 0.132 0.000 0.998 107 N HN 0.321 nan 8.380 nan 0.000 0.436 108 F N 1.045 121.051 119.950 0.092 0.000 2.060 108 F HA 0.013 4.540 4.527 -0.000 0.000 0.295 108 F C 1.841 177.690 175.800 0.082 0.000 1.120 108 F CA 1.088 59.129 58.000 0.068 0.000 1.205 108 F CB -0.412 38.618 39.000 0.049 0.000 0.986 108 F HN -0.049 nan 8.300 nan 0.000 0.470 109 L N 0.121 121.466 121.223 0.203 0.000 2.081 109 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 109 L C 2.388 179.327 176.870 0.115 0.000 1.080 109 L CA 1.813 56.674 54.840 0.035 0.000 0.754 109 L CB -0.954 41.110 42.059 0.009 0.000 0.893 109 L HN 0.272 nan 8.230 nan 0.000 0.433 110 E N 0.009 120.384 120.200 0.291 0.000 2.031 110 E HA -0.272 4.078 4.350 -0.000 0.000 0.193 110 E C 2.102 178.747 176.600 0.075 0.000 0.994 110 E CA 1.377 57.924 56.400 0.246 0.000 0.800 110 E CB -0.060 29.724 29.700 0.139 0.000 0.752 110 E HN 0.445 nan 8.360 nan 0.000 0.447 111 E N 0.730 120.929 120.200 -0.003 0.000 2.033 111 E HA -0.230 4.120 4.350 -0.000 0.000 0.199 111 E C 1.050 177.571 176.600 -0.132 0.000 1.011 111 E CA 1.343 57.701 56.400 -0.069 0.000 0.815 111 E CB 0.104 29.750 29.700 -0.089 0.000 0.755 111 E HN 0.059 nan 8.360 nan 0.000 0.451 112 E N -0.465 119.571 120.200 -0.272 0.000 2.321 112 E HA 0.141 4.491 4.350 -0.000 0.000 0.189 112 E C 0.017 176.531 176.600 -0.144 0.000 1.125 112 E CA 0.483 56.736 56.400 -0.246 0.000 1.005 112 E CB 0.253 29.720 29.700 -0.389 0.000 1.140 112 E HN 0.422 nan 8.360 nan 0.000 0.457 113 G N 1.106 109.868 108.800 -0.063 0.000 2.332 113 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.277 113 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.277 113 G C 0.835 175.714 174.900 -0.034 0.000 0.884 113 G CA 0.378 45.485 45.100 0.012 0.000 1.251 113 G HN 0.439 nan 8.290 nan 0.000 0.462 114 A N -0.382 122.363 122.820 -0.124 0.000 2.238 114 A HA 0.426 4.746 4.320 -0.000 0.000 0.208 114 A C 1.588 178.989 177.584 -0.305 0.000 1.177 114 A CA 1.382 53.277 52.037 -0.236 0.000 0.804 114 A CB -0.013 18.793 19.000 -0.323 0.000 0.823 114 A HN 0.660 nan 8.150 nan 0.000 0.482 115 Y N 0.575 120.860 120.300 -0.026 0.000 2.226 115 Y HA 0.080 4.630 4.550 -0.000 0.000 0.281 115 Y C 0.625 176.510 175.900 -0.025 0.000 1.107 115 Y CA 0.261 58.348 58.100 -0.022 0.000 1.109 115 Y CB -0.349 38.105 38.460 -0.011 0.000 1.047 115 Y HN 0.159 nan 8.280 nan 0.000 0.494 116 E N 2.227 122.523 120.200 0.160 0.000 2.481 116 E HA -0.051 4.299 4.350 -0.000 0.000 0.240 116 E C -0.845 175.776 176.600 0.034 0.000 1.193 116 E CA 0.843 57.285 56.400 0.070 0.000 0.955 116 E CB -0.212 29.515 29.700 0.045 0.000 1.006 116 E HN 0.424 nan 8.360 nan 0.000 0.483 117 D N 2.042 122.457 120.400 0.025 0.000 4.099 117 D HA 0.032 4.672 4.640 -0.000 0.000 0.262 117 D C -0.756 175.547 176.300 0.004 0.000 1.445 117 D CA -0.188 53.815 54.000 0.005 0.000 0.779 117 D CB -0.091 40.702 40.800 -0.013 0.000 1.348 117 D HN 0.247 nan 8.370 nan 0.000 0.803 118 D N -0.615 119.789 120.400 0.006 0.000 3.006 118 D HA -0.226 4.414 4.640 -0.000 0.000 0.208 118 D C 0.166 176.472 176.300 0.010 0.000 1.116 118 D CA 0.496 54.499 54.000 0.005 0.000 0.998 118 D CB -0.878 39.925 40.800 0.005 0.000 1.124 118 D HN 0.307 nan 8.370 nan 0.000 0.413 119 L N 2.043 123.276 121.223 0.016 0.000 2.540 119 L HA -0.020 4.320 4.340 -0.000 0.000 0.276 119 L C 1.653 178.524 176.870 0.002 0.000 1.212 119 L CA 1.223 56.080 54.840 0.027 0.000 0.893 119 L CB 0.399 42.480 42.059 0.037 0.000 1.138 119 L HN -0.072 nan 8.230 nan 0.000 0.491 120 D N 2.507 122.923 120.400 0.027 0.000 2.324 120 D HA 0.094 4.734 4.640 -0.000 0.000 0.212 120 D C -0.047 176.068 176.300 -0.308 0.000 0.984 120 D CA 0.991 54.937 54.000 -0.089 0.000 0.885 120 D CB 0.446 41.283 40.800 0.061 0.000 0.996 120 D HN 0.245 nan 8.370 nan 0.000 0.505 121 F N -0.346 119.601 119.950 -0.005 0.000 2.613 121 F HA 0.429 4.956 4.527 -0.000 0.000 0.314 121 F C -0.590 175.130 175.800 -0.134 0.000 1.075 121 F CA -1.154 56.788 58.000 -0.097 0.000 0.945 121 F CB 2.750 41.745 39.000 -0.008 0.000 1.310 121 F HN -0.409 nan 8.300 nan 0.000 0.467 122 V N 2.997 122.845 119.914 -0.109 0.000 2.653 122 V HA 0.543 4.663 4.120 -0.000 0.000 0.298 122 V C -2.017 173.825 176.094 -0.419 0.000 1.097 122 V CA -0.521 61.677 62.300 -0.170 0.000 0.908 122 V CB 1.118 32.878 31.823 -0.104 0.000 1.024 122 V HN 0.561 nan 8.190 nan 0.000 0.435 123 F N 6.782 126.696 119.950 -0.060 0.000 2.411 123 F HA 0.605 5.132 4.527 -0.000 0.000 0.352 123 F C -0.417 175.317 175.800 -0.110 0.000 1.123 123 F CA -0.507 57.485 58.000 -0.014 0.000 1.044 123 F CB 1.677 40.688 39.000 0.018 0.000 1.135 123 F HN 0.475 nan 8.300 nan 0.000 0.461 124 Y N 1.642 122.060 120.300 0.198 0.000 2.518 124 Y HA 0.174 4.724 4.550 -0.000 0.000 0.344 124 Y C 0.139 176.078 175.900 0.066 0.000 0.982 124 Y CA -1.035 57.134 58.100 0.116 0.000 1.234 124 Y CB 0.410 38.926 38.460 0.093 0.000 1.114 124 Y HN 0.463 nan 8.280 nan 0.000 0.515 125 D N 3.387 123.870 120.400 0.139 0.000 2.342 125 D HA 0.248 4.888 4.640 -0.000 0.000 0.260 125 D C -1.012 175.241 176.300 -0.079 0.000 1.278 125 D CA 0.239 54.254 54.000 0.025 0.000 0.910 125 D CB 0.454 41.252 40.800 -0.003 0.000 1.079 125 D HN 0.180 nan 8.370 nan 0.000 0.496 126 V N 5.376 125.133 119.914 -0.262 0.000 2.448 126 V HA 0.228 4.348 4.120 -0.000 0.000 0.295 126 V C 0.257 175.973 176.094 -0.631 0.000 1.025 126 V CA -1.111 60.871 62.300 -0.529 0.000 0.859 126 V CB 1.679 32.883 31.823 -1.031 0.000 0.988 126 V HN 0.515 nan 8.190 nan 0.000 0.431 127 L N 4.416 125.304 121.223 -0.557 0.000 2.433 127 L HA 0.548 4.888 4.340 -0.000 0.000 0.275 127 L C 0.886 177.361 176.870 -0.659 0.000 1.128 127 L CA 0.218 54.706 54.840 -0.586 0.000 0.875 127 L CB 0.593 42.240 42.059 -0.686 0.000 1.171 127 L HN 0.847 nan 8.230 nan 0.000 0.463 128 G N 3.819 112.451 108.800 -0.281 0.000 4.649 128 G HA2 0.068 4.028 3.960 -0.000 0.000 0.312 128 G HA3 0.068 4.028 3.960 -0.000 0.000 0.312 128 G C 0.090 174.973 174.900 -0.029 0.000 1.403 128 G CA -0.360 44.740 45.100 -0.001 0.000 1.248 128 G HN 0.733 nan 8.290 nan 0.000 0.581 129 D N 0.551 120.890 120.400 -0.101 0.000 2.454 129 D HA -0.084 4.556 4.640 -0.000 0.000 0.247 129 D C 2.143 178.490 176.300 0.078 0.000 1.143 129 D CA 1.055 55.053 54.000 -0.004 0.000 0.972 129 D CB 0.522 41.314 40.800 -0.013 0.000 1.070 129 D HN 0.225 nan 8.370 nan 0.000 0.433 130 V N 0.997 121.011 119.914 0.166 0.000 3.164 130 V HA 0.239 4.359 4.120 -0.000 0.000 0.388 130 V C 0.638 176.869 176.094 0.227 0.000 1.279 130 V CA -0.567 61.847 62.300 0.191 0.000 1.426 130 V CB -0.246 31.701 31.823 0.207 0.000 1.330 130 V HN -0.028 nan 8.190 nan 0.000 0.511 131 V N 2.398 122.430 119.914 0.197 0.000 3.375 131 V HA -0.240 3.880 4.120 -0.000 0.000 0.237 131 V C 1.230 177.421 176.094 0.161 0.000 0.948 131 V CA 1.230 63.650 62.300 0.199 0.000 1.077 131 V CB -2.559 29.310 31.823 0.076 0.000 0.727 131 V HN 1.070 nan 8.190 nan 0.000 0.473 132 C N 1.913 121.327 119.300 0.190 0.000 2.576 132 C HA 0.844 5.304 4.460 -0.000 0.000 0.394 132 C C 2.094 177.121 174.990 0.061 0.000 1.876 132 C CA -0.064 59.002 59.018 0.080 0.000 1.858 132 C CB 0.834 28.576 27.740 0.002 0.000 1.943 132 C HN 0.653 nan 8.230 nan 0.000 0.479 133 G N -0.014 108.801 108.800 0.024 0.000 2.448 133 G HA2 0.239 4.199 3.960 -0.000 0.000 0.218 133 G HA3 0.239 4.199 3.960 -0.000 0.000 0.218 133 G C 1.384 176.279 174.900 -0.007 0.000 1.135 133 G CA 0.995 46.117 45.100 0.037 0.000 0.784 133 G HN 1.194 nan 8.290 nan 0.000 0.543 134 G N 0.961 109.702 108.800 -0.098 0.000 2.484 134 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.215 134 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.215 134 G C 1.428 176.255 174.900 -0.121 0.000 1.219 134 G CA 0.695 45.677 45.100 -0.196 0.000 0.791 134 G HN 0.275 nan 8.290 nan 0.000 0.550 135 F N 1.835 121.812 119.950 0.045 0.000 2.546 135 F HA 0.210 4.737 4.527 -0.000 0.000 0.298 135 F C 2.788 178.663 175.800 0.125 0.000 1.120 135 F CA 0.104 58.145 58.000 0.069 0.000 1.456 135 F CB -0.346 38.708 39.000 0.089 0.000 1.088 135 F HN 0.244 nan 8.300 nan 0.000 0.572 136 A N -0.912 122.026 122.820 0.198 0.000 2.167 136 A HA -0.057 4.263 4.320 -0.000 0.000 0.214 136 A C 2.094 179.662 177.584 -0.026 0.000 1.151 136 A CA 0.526 52.595 52.037 0.053 0.000 0.735 136 A CB -0.589 18.377 19.000 -0.056 0.000 0.802 136 A HN 0.236 nan 8.150 nan 0.000 0.467 137 M N 0.828 120.440 119.600 0.021 0.000 2.894 137 M HA -0.192 4.288 4.480 -0.000 0.000 0.268 137 M C -1.028 175.229 176.300 -0.070 0.000 1.054 137 M CA 2.585 57.876 55.300 -0.014 0.000 1.062 137 M CB -1.430 31.175 32.600 0.008 0.000 1.242 137 M HN 0.138 nan 8.290 nan 0.000 0.508 138 P HA -0.150 nan 4.420 nan 0.000 0.223 138 P C 1.228 178.396 177.300 -0.220 0.000 1.140 138 P CA 1.386 64.345 63.100 -0.236 0.000 0.783 138 P CB -0.293 31.207 31.700 -0.332 0.000 0.759 139 I N -2.031 118.423 120.570 -0.193 0.000 2.927 139 I HA -0.007 4.163 4.170 -0.000 0.000 0.268 139 I C 2.571 178.526 176.117 -0.269 0.000 1.153 139 I CA 0.287 61.426 61.300 -0.269 0.000 1.459 139 I CB -0.160 37.593 38.000 -0.413 0.000 1.149 139 I HN -0.185 nan 8.210 nan 0.000 0.443 140 R N 1.437 121.774 120.500 -0.273 0.000 2.073 140 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 140 R C 1.831 178.158 176.300 0.045 0.000 1.134 140 R CA 1.433 57.530 56.100 -0.005 0.000 0.952 140 R CB 0.012 30.394 30.300 0.135 0.000 0.850 140 R HN 0.180 nan 8.270 nan 0.000 0.433 141 E N 0.651 120.838 120.200 -0.021 0.000 2.478 141 E HA -0.137 4.213 4.350 -0.000 0.000 0.198 141 E C -0.100 176.477 176.600 -0.039 0.000 1.046 141 E CA 0.410 56.798 56.400 -0.020 0.000 0.870 141 E CB -0.411 29.267 29.700 -0.038 0.000 0.818 141 E HN 0.383 nan 8.360 nan 0.000 0.527 142 N N 0.549 119.215 118.700 -0.057 0.000 2.746 142 N HA -0.156 4.584 4.740 -0.000 0.000 0.250 142 N C 0.185 175.642 175.510 -0.089 0.000 1.055 142 N CA 0.469 53.482 53.050 -0.061 0.000 0.699 142 N CB -0.259 38.214 38.487 -0.024 0.000 0.919 142 N HN -0.036 nan 8.380 nan 0.000 0.548 143 K N -1.106 119.211 120.400 -0.138 0.000 2.380 143 K HA 0.389 4.709 4.320 -0.000 0.000 0.198 143 K C 0.154 176.677 176.600 -0.127 0.000 1.070 143 K CA 0.635 56.831 56.287 -0.151 0.000 1.040 143 K CB 0.799 33.172 32.500 -0.212 0.000 0.903 143 K HN 0.358 nan 8.250 nan 0.000 0.549 144 A N 1.708 124.434 122.820 -0.157 0.000 2.304 144 A HA 0.442 4.762 4.320 -0.000 0.000 0.314 144 A C 0.470 178.023 177.584 -0.052 0.000 1.187 144 A CA -0.483 51.514 52.037 -0.066 0.000 0.810 144 A CB 1.192 20.129 19.000 -0.105 0.000 1.183 144 A HN -0.097 nan 8.150 nan 0.000 0.487 145 Q N 1.178 120.963 119.800 -0.025 0.000 2.388 145 Q HA 0.114 4.454 4.340 -0.000 0.000 0.204 145 Q C -0.224 175.733 176.000 -0.071 0.000 0.946 145 Q CA 0.994 56.769 55.803 -0.048 0.000 0.880 145 Q CB 0.074 28.787 28.738 -0.041 0.000 0.997 145 Q HN 0.867 nan 8.270 nan 0.000 0.552 146 E N 1.351 121.507 120.200 -0.074 0.000 2.174 146 E HA 0.329 4.679 4.350 -0.000 0.000 0.282 146 E C -0.545 175.918 176.600 -0.228 0.000 0.992 146 E CA -0.270 56.023 56.400 -0.179 0.000 0.803 146 E CB 1.399 31.008 29.700 -0.153 0.000 1.090 146 E HN 0.041 nan 8.360 nan 0.000 0.396 147 I N 3.705 124.081 120.570 -0.323 0.000 2.362 147 I HA 0.245 4.415 4.170 -0.000 0.000 0.289 147 I C -0.878 175.055 176.117 -0.306 0.000 0.994 147 I CA -0.758 60.419 61.300 -0.206 0.000 1.158 147 I CB 0.445 38.354 38.000 -0.152 0.000 1.315 147 I HN 0.488 nan 8.210 nan 0.000 0.451 148 Y N 6.030 126.429 120.300 0.165 0.000 2.326 148 Y HA 0.481 5.031 4.550 -0.000 0.000 0.331 148 Y C 0.414 176.396 175.900 0.137 0.000 0.962 148 Y CA -0.735 57.449 58.100 0.141 0.000 1.167 148 Y CB 1.599 40.156 38.460 0.161 0.000 1.148 148 Y HN 0.354 nan 8.280 nan 0.000 0.463 149 I N 4.126 124.848 120.570 0.253 0.000 2.428 149 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 149 I C -0.457 175.747 176.117 0.144 0.000 1.019 149 I CA -0.767 60.639 61.300 0.176 0.000 1.351 149 I CB 1.016 39.082 38.000 0.111 0.000 1.412 149 I HN 0.209 nan 8.210 nan 0.000 0.513 150 V N 6.016 125.996 119.914 0.111 0.000 2.513 150 V HA 0.535 4.655 4.120 -0.000 0.000 0.299 150 V C 0.016 176.140 176.094 0.051 0.000 1.035 150 V CA -0.274 62.067 62.300 0.068 0.000 0.889 150 V CB 1.345 33.192 31.823 0.041 0.000 0.988 150 V HN 1.087 nan 8.190 nan 0.000 0.440 151 C N 2.225 121.551 119.300 0.043 0.000 3.260 151 C HA 0.991 5.451 4.460 -0.000 0.000 0.366 151 C C -0.298 174.714 174.990 0.037 0.000 1.537 151 C CA -0.113 58.928 59.018 0.038 0.000 1.160 151 C CB 1.259 29.026 27.740 0.045 0.000 1.760 151 C HN 1.163 nan 8.230 nan 0.000 0.432 152 S N -0.877 114.846 115.700 0.038 0.000 2.703 152 S HA 0.688 5.158 4.470 -0.000 0.000 0.273 152 S C -0.306 174.314 174.600 0.033 0.000 1.178 152 S CA 0.097 58.325 58.200 0.046 0.000 0.838 152 S CB 0.511 63.732 63.200 0.034 0.000 1.178 152 S HN 2.548 nan 8.310 nan 0.000 0.494 153 G N 0.407 109.225 108.800 0.029 0.000 2.428 153 G HA2 0.477 4.437 3.960 -0.000 0.000 0.293 153 G HA3 0.477 4.437 3.960 -0.000 0.000 0.293 153 G C -0.322 174.591 174.900 0.023 0.000 1.059 153 G CA 0.282 45.386 45.100 0.007 0.000 1.194 153 G HN 0.701 nan 8.290 nan 0.000 0.435 154 E N 2.773 122.992 120.200 0.032 0.000 2.935 154 E HA -0.043 4.307 4.350 -0.000 0.000 0.321 154 E C 0.758 177.392 176.600 0.057 0.000 1.070 154 E CA -0.665 55.760 56.400 0.040 0.000 0.882 154 E CB 0.694 30.416 29.700 0.036 0.000 1.224 154 E HN 0.368 nan 8.360 nan 0.000 0.445 155 M N 3.942 123.576 119.600 0.056 0.000 2.255 155 M HA -0.265 4.215 4.480 -0.000 0.000 0.260 155 M C 1.430 177.800 176.300 0.115 0.000 1.069 155 M CA 2.006 57.348 55.300 0.070 0.000 1.089 155 M CB -0.083 32.535 32.600 0.030 0.000 1.269 155 M HN 0.631 nan 8.290 nan 0.000 0.434 156 M N 0.284 119.942 119.600 0.097 0.000 2.106 156 M HA -0.173 4.307 4.480 -0.000 0.000 0.259 156 M C 2.469 178.866 176.300 0.162 0.000 1.068 156 M CA 2.071 57.464 55.300 0.155 0.000 1.100 156 M CB -2.082 30.577 32.600 0.098 0.000 1.351 156 M HN 0.582 nan 8.290 nan 0.000 0.404 157 A N -0.043 122.836 122.820 0.100 0.000 1.908 157 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 157 A C 2.251 179.882 177.584 0.079 0.000 1.181 157 A CA 1.949 54.031 52.037 0.074 0.000 0.627 157 A CB -0.577 18.454 19.000 0.051 0.000 0.818 157 A HN 0.523 nan 8.150 nan 0.000 0.445 158 M N -2.660 116.996 119.600 0.094 0.000 2.236 158 M HA -0.003 4.477 4.480 -0.000 0.000 0.266 158 M C 2.115 178.482 176.300 0.113 0.000 1.070 158 M CA 1.164 56.516 55.300 0.087 0.000 1.137 158 M CB -0.308 32.343 32.600 0.084 0.000 1.378 158 M HN 0.555 nan 8.290 nan 0.000 0.426 159 Y N 1.229 121.548 120.300 0.032 0.000 2.384 159 Y HA -0.174 4.376 4.550 -0.000 0.000 0.289 159 Y C 2.130 178.051 175.900 0.035 0.000 1.152 159 Y CA 1.188 59.308 58.100 0.033 0.000 1.258 159 Y CB -0.280 38.198 38.460 0.031 0.000 0.979 159 Y HN 0.154 nan 8.280 nan 0.000 0.549 160 A N 0.184 122.980 122.820 -0.041 0.000 1.878 160 A HA 0.102 4.422 4.320 -0.000 0.000 0.213 160 A C 2.460 179.995 177.584 -0.081 0.000 1.192 160 A CA 1.200 53.175 52.037 -0.104 0.000 0.619 160 A CB -1.428 17.572 19.000 -0.001 0.000 0.837 160 A HN 0.506 nan 8.150 nan 0.000 0.446 161 A N 0.366 123.175 122.820 -0.018 0.000 1.958 161 A HA -0.295 4.025 4.320 -0.000 0.000 0.221 161 A C 1.985 179.548 177.584 -0.034 0.000 1.178 161 A CA 2.071 54.106 52.037 -0.003 0.000 0.642 161 A CB -0.965 18.050 19.000 0.025 0.000 0.816 161 A HN 0.745 nan 8.150 nan 0.000 0.453 162 N N -0.840 117.826 118.700 -0.057 0.000 2.062 162 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 162 N C 1.501 176.942 175.510 -0.114 0.000 1.042 162 N CA 1.393 54.404 53.050 -0.066 0.000 0.845 162 N CB -0.166 38.294 38.487 -0.045 0.000 1.024 162 N HN 0.509 nan 8.380 nan 0.000 0.424 163 N N 0.689 119.257 118.700 -0.220 0.000 2.272 163 N HA -0.079 4.661 4.740 -0.000 0.000 0.185 163 N C 1.560 176.997 175.510 -0.122 0.000 1.014 163 N CA 0.738 53.667 53.050 -0.202 0.000 0.870 163 N CB -0.035 38.256 38.487 -0.328 0.000 0.975 163 N HN 0.374 nan 8.380 nan 0.000 0.433 164 I N -0.338 120.165 120.570 -0.112 0.000 2.233 164 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 164 I C 1.920 177.960 176.117 -0.129 0.000 1.093 164 I CA 0.760 61.987 61.300 -0.121 0.000 1.380 164 I CB -0.253 37.687 38.000 -0.100 0.000 1.067 164 I HN 0.075 nan 8.210 nan 0.000 0.413 165 S N 0.973 116.619 115.700 -0.090 0.000 2.365 165 S HA -0.220 4.250 4.470 -0.000 0.000 0.225 165 S C 1.914 176.481 174.600 -0.055 0.000 1.039 165 S CA 1.454 59.614 58.200 -0.068 0.000 1.033 165 S CB -0.268 62.910 63.200 -0.037 0.000 0.887 165 S HN 0.363 nan 8.310 nan 0.000 0.447 166 K N 0.707 121.079 120.400 -0.047 0.000 2.034 166 K HA -0.141 4.179 4.320 -0.000 0.000 0.214 166 K C 2.422 179.016 176.600 -0.009 0.000 1.051 166 K CA 1.402 57.674 56.287 -0.024 0.000 0.931 166 K CB -0.806 31.678 32.500 -0.027 0.000 0.715 166 K HN 0.448 nan 8.250 nan 0.000 0.446 167 G N 1.750 110.532 108.800 -0.030 0.000 2.459 167 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 167 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 167 G C 1.552 176.444 174.900 -0.013 0.000 1.183 167 G CA 1.046 46.140 45.100 -0.010 0.000 0.776 167 G HN 0.178 nan 8.290 nan 0.000 0.552 168 I N 0.457 120.967 120.570 -0.100 0.000 2.185 168 I HA -0.244 3.926 4.170 -0.000 0.000 0.246 168 I C 2.814 178.934 176.117 0.005 0.000 1.088 168 I CA 0.907 62.145 61.300 -0.102 0.000 1.347 168 I CB -0.308 37.617 38.000 -0.125 0.000 1.041 168 I HN 0.069 nan 8.210 nan 0.000 0.415 169 V N 0.615 120.539 119.914 0.017 0.000 2.261 169 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 169 V C 2.446 178.586 176.094 0.077 0.000 1.047 169 V CA 2.008 64.329 62.300 0.034 0.000 1.015 169 V CB -0.738 31.095 31.823 0.015 0.000 0.642 169 V HN 0.348 nan 8.190 nan 0.000 0.446 170 K N -0.581 119.888 120.400 0.114 0.000 2.259 170 K HA -0.236 4.084 4.320 -0.000 0.000 0.206 170 K C 1.594 178.219 176.600 0.042 0.000 1.044 170 K CA 2.084 58.430 56.287 0.099 0.000 0.931 170 K CB -0.294 32.313 32.500 0.179 0.000 0.726 170 K HN 0.650 nan 8.250 nan 0.000 0.467 171 Y N -2.366 117.908 120.300 -0.044 0.000 2.589 171 Y HA 0.401 4.951 4.550 -0.000 0.000 0.271 171 Y C 1.866 177.741 175.900 -0.042 0.000 1.107 171 Y CA -0.031 58.044 58.100 -0.042 0.000 1.273 171 Y CB -0.654 37.776 38.460 -0.050 0.000 1.266 171 Y HN 0.011 nan 8.280 nan 0.000 0.504 172 A N 1.570 124.465 122.820 0.125 0.000 2.067 172 A HA -0.358 3.962 4.320 -0.000 0.000 0.224 172 A C 1.745 179.345 177.584 0.026 0.000 1.172 172 A CA 2.580 54.645 52.037 0.047 0.000 0.662 172 A CB -1.049 17.962 19.000 0.019 0.000 0.814 172 A HN 0.738 nan 8.150 nan 0.000 0.468 173 N N 0.100 118.811 118.700 0.020 0.000 2.148 173 N HA -0.084 4.656 4.740 -0.000 0.000 0.186 173 N C 1.354 176.862 175.510 -0.003 0.000 1.031 173 N CA 1.531 54.581 53.050 0.000 0.000 0.848 173 N CB -0.805 37.675 38.487 -0.012 0.000 1.005 173 N HN 0.428 nan 8.380 nan 0.000 0.427 174 S N -1.557 114.138 115.700 -0.008 0.000 2.710 174 S HA 0.503 4.973 4.470 -0.000 0.000 0.224 174 S C 0.553 175.160 174.600 0.011 0.000 0.948 174 S CA -0.313 57.879 58.200 -0.013 0.000 0.949 174 S CB -0.565 62.609 63.200 -0.044 0.000 0.778 174 S HN 0.578 nan 8.310 nan 0.000 0.498 175 G N 0.296 109.112 108.800 0.026 0.000 2.721 175 G HA2 0.489 4.449 3.960 -0.000 0.000 0.296 175 G HA3 0.489 4.449 3.960 -0.000 0.000 0.296 175 G C -0.064 174.844 174.900 0.013 0.000 1.383 175 G CA -0.166 44.953 45.100 0.032 0.000 0.788 175 G HN 0.390 nan 8.290 nan 0.000 0.500 176 S N -1.142 114.558 115.700 0.000 0.000 2.539 176 S HA 0.281 4.751 4.470 -0.000 0.000 0.221 176 S C 0.653 175.238 174.600 -0.025 0.000 0.987 176 S CA -0.149 58.044 58.200 -0.013 0.000 0.929 176 S CB 0.304 63.492 63.200 -0.019 0.000 0.832 176 S HN 0.539 nan 8.310 nan 0.000 0.492 177 V N 3.446 123.344 119.914 -0.027 0.000 2.788 177 V HA 0.287 4.407 4.120 -0.000 0.000 0.307 177 V C 0.443 176.504 176.094 -0.055 0.000 1.069 177 V CA 0.230 62.497 62.300 -0.056 0.000 1.173 177 V CB -0.087 31.690 31.823 -0.077 0.000 0.925 177 V HN 0.451 nan 8.190 nan 0.000 0.492 178 R N 2.628 123.080 120.500 -0.079 0.000 2.764 178 R HA 0.516 4.856 4.340 -0.000 0.000 0.270 178 R C -1.419 174.815 176.300 -0.110 0.000 1.014 178 R CA -1.077 54.979 56.100 -0.074 0.000 0.904 178 R CB 1.820 32.087 30.300 -0.055 0.000 1.236 178 R HN 0.513 nan 8.270 nan 0.000 0.466 179 L N 1.643 122.815 121.223 -0.085 0.000 2.287 179 L HA 0.393 4.733 4.340 -0.000 0.000 0.280 179 L C 1.094 177.921 176.870 -0.072 0.000 1.055 179 L CA 0.318 55.104 54.840 -0.090 0.000 0.863 179 L CB 0.877 42.911 42.059 -0.043 0.000 1.245 179 L HN 0.889 nan 8.230 nan 0.000 0.432 180 G N 3.186 111.861 108.800 -0.208 0.000 2.476 180 G HA2 0.270 4.230 3.960 -0.000 0.000 0.218 180 G HA3 0.270 4.230 3.960 -0.000 0.000 0.218 180 G C 0.629 175.676 174.900 0.246 0.000 1.164 180 G CA 0.796 45.840 45.100 -0.094 0.000 0.768 180 G HN 1.082 nan 8.290 nan 0.000 0.560 181 G N -1.997 106.996 108.800 0.321 0.000 2.317 181 G HA2 0.421 4.381 3.960 -0.000 0.000 0.293 181 G HA3 0.421 4.381 3.960 -0.000 0.000 0.293 181 G C -1.629 173.446 174.900 0.291 0.000 1.287 181 G CA -0.873 44.409 45.100 0.303 0.000 0.850 181 G HN 0.331 nan 8.290 nan 0.000 0.515 182 L N -0.054 121.281 121.223 0.186 0.000 2.330 182 L HA 0.713 5.053 4.340 -0.000 0.000 0.271 182 L C -0.419 176.521 176.870 0.116 0.000 1.013 182 L CA -1.003 53.923 54.840 0.143 0.000 0.816 182 L CB 2.047 44.163 42.059 0.095 0.000 1.287 182 L HN 0.371 nan 8.230 nan 0.000 0.435 183 I N 1.576 122.205 120.570 0.098 0.000 2.439 183 I HA 0.219 4.389 4.170 -0.000 0.000 0.285 183 I C -0.664 175.488 176.117 0.058 0.000 1.021 183 I CA -0.382 60.958 61.300 0.068 0.000 1.091 183 I CB 2.143 40.170 38.000 0.046 0.000 1.242 183 I HN 0.551 nan 8.210 nan 0.000 0.439 184 C N 6.731 126.076 119.300 0.076 0.000 2.265 184 C HA 0.355 4.815 4.460 -0.000 0.000 0.332 184 C C 0.268 175.221 174.990 -0.062 0.000 1.248 184 C CA -0.469 58.614 59.018 0.109 0.000 1.727 184 C CB -0.811 27.128 27.740 0.333 0.000 2.348 184 C HN 0.752 nan 8.230 nan 0.000 0.519 185 N N 4.047 122.703 118.700 -0.072 0.000 2.406 185 N HA 0.092 4.832 4.740 -0.000 0.000 0.251 185 N C -0.249 175.154 175.510 -0.179 0.000 1.069 185 N CA -0.109 52.841 53.050 -0.167 0.000 0.947 185 N CB 0.868 39.307 38.487 -0.080 0.000 1.111 185 N HN 0.766 nan 8.380 nan 0.000 0.497 186 S N 2.263 117.716 115.700 -0.411 0.000 2.673 186 S HA -0.057 4.413 4.470 -0.000 0.000 0.308 186 S C 0.876 175.433 174.600 -0.071 0.000 1.246 186 S CA 0.268 58.329 58.200 -0.232 0.000 1.077 186 S CB 0.132 63.114 63.200 -0.363 0.000 0.814 186 S HN 0.507 nan 8.310 nan 0.000 0.503 187 R N 3.549 124.058 120.500 0.016 0.000 2.662 187 R HA 0.168 4.508 4.340 -0.000 0.000 0.396 187 R C -0.040 176.274 176.300 0.024 0.000 1.096 187 R CA -0.300 55.806 56.100 0.009 0.000 1.081 187 R CB -0.340 29.969 30.300 0.016 0.000 1.382 187 R HN 0.775 nan 8.270 nan 0.000 0.580 188 N N 1.665 120.388 118.700 0.039 0.000 2.699 188 N HA -0.145 4.595 4.740 -0.000 0.000 0.256 188 N C -0.921 174.612 175.510 0.039 0.000 0.993 188 N CA 1.296 54.371 53.050 0.042 0.000 0.759 188 N CB -0.474 38.025 38.487 0.019 0.000 0.906 188 N HN 0.170 nan 8.380 nan 0.000 0.541 189 T N 0.485 115.069 114.554 0.050 0.000 2.888 189 T HA 0.296 4.646 4.350 -0.000 0.000 0.284 189 T C -0.145 174.567 174.700 0.020 0.000 1.017 189 T CA -0.621 61.497 62.100 0.031 0.000 1.022 189 T CB 1.463 70.347 68.868 0.026 0.000 1.013 189 T HN 0.013 nan 8.240 nan 0.000 0.465 190 D N 1.800 122.208 120.400 0.014 0.000 2.351 190 D HA 0.342 4.982 4.640 -0.000 0.000 0.251 190 D C 0.442 176.736 176.300 -0.010 0.000 1.137 190 D CA -0.145 53.858 54.000 0.006 0.000 0.879 190 D CB 0.415 41.226 40.800 0.018 0.000 1.181 190 D HN 0.456 nan 8.370 nan 0.000 0.448 191 R N 1.122 121.596 120.500 -0.043 0.000 3.770 191 R HA -0.282 4.058 4.340 -0.000 0.000 0.305 191 R C 0.910 177.087 176.300 -0.205 0.000 1.184 191 R CA 0.704 56.753 56.100 -0.085 0.000 0.823 191 R CB -1.566 28.759 30.300 0.041 0.000 1.285 191 R HN 0.642 nan 8.270 nan 0.000 0.499 192 E N 1.826 121.921 120.200 -0.175 0.000 2.051 192 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 192 E C 1.669 178.078 176.600 -0.318 0.000 0.991 192 E CA 1.704 57.998 56.400 -0.175 0.000 0.799 192 E CB 0.045 29.742 29.700 -0.005 0.000 0.748 192 E HN 0.505 nan 8.360 nan 0.000 0.449 193 D N 0.277 120.348 120.400 -0.549 0.000 2.218 193 D HA -0.219 4.421 4.640 -0.000 0.000 0.204 193 D C 1.405 177.439 176.300 -0.444 0.000 0.976 193 D CA 1.138 54.685 54.000 -0.755 0.000 0.853 193 D CB -0.338 39.744 40.800 -1.196 0.000 0.939 193 D HN 0.408 nan 8.370 nan 0.000 0.481 194 E N 0.073 120.038 120.200 -0.392 0.000 2.046 194 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 194 E C 2.213 178.471 176.600 -0.571 0.000 0.982 194 E CA 0.327 56.531 56.400 -0.327 0.000 0.800 194 E CB -0.185 29.406 29.700 -0.181 0.000 0.756 194 E HN 0.143 nan 8.360 nan 0.000 0.449 195 L N 1.487 122.115 121.223 -0.992 0.000 2.043 195 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 195 L C 1.957 178.533 176.870 -0.490 0.000 1.075 195 L CA 1.637 55.710 54.840 -1.277 0.000 0.752 195 L CB -0.328 41.178 42.059 -0.921 0.000 0.891 195 L HN 0.111 nan 8.230 nan 0.000 0.432 196 I N -0.346 120.045 120.570 -0.299 0.000 2.163 196 I HA -0.270 3.900 4.170 -0.000 0.000 0.240 196 I C 2.659 178.727 176.117 -0.081 0.000 1.081 196 I CA 1.485 62.709 61.300 -0.128 0.000 1.353 196 I CB -1.070 36.892 38.000 -0.064 0.000 1.054 196 I HN 0.271 nan 8.210 nan 0.000 0.407 197 I N 1.244 121.755 120.570 -0.099 0.000 2.151 197 I HA -0.343 3.827 4.170 -0.000 0.000 0.243 197 I C 2.806 178.921 176.117 -0.003 0.000 1.080 197 I CA 1.614 62.889 61.300 -0.041 0.000 1.339 197 I CB -0.550 37.419 38.000 -0.053 0.000 1.039 197 I HN 0.170 nan 8.210 nan 0.000 0.409 198 A N 0.839 123.660 122.820 0.001 0.000 1.873 198 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 198 A C 2.396 180.032 177.584 0.086 0.000 1.193 198 A CA 1.956 54.054 52.037 0.101 0.000 0.629 198 A CB -0.981 18.186 19.000 0.278 0.000 0.826 198 A HN 0.494 nan 8.150 nan 0.000 0.447 199 L N -0.821 120.435 121.223 0.055 0.000 2.046 199 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 199 L C 2.817 179.715 176.870 0.046 0.000 1.077 199 L CA 1.624 56.498 54.840 0.057 0.000 0.747 199 L CB -0.450 41.633 42.059 0.040 0.000 0.896 199 L HN 0.407 nan 8.230 nan 0.000 0.432 200 A N 0.552 123.393 122.820 0.034 0.000 1.884 200 A HA -0.309 4.011 4.320 -0.000 0.000 0.219 200 A C 1.992 179.601 177.584 0.041 0.000 1.197 200 A CA 2.311 54.371 52.037 0.040 0.000 0.637 200 A CB -1.000 18.023 19.000 0.040 0.000 0.827 200 A HN 0.675 nan 8.150 nan 0.000 0.450 201 N N -0.183 118.542 118.700 0.042 0.000 2.104 201 N HA -0.173 4.567 4.740 -0.000 0.000 0.190 201 N C 1.552 177.086 175.510 0.040 0.000 1.024 201 N CA 1.745 54.820 53.050 0.041 0.000 0.853 201 N CB -0.360 38.153 38.487 0.044 0.000 1.008 201 N HN 0.353 nan 8.380 nan 0.000 0.424 202 K N 0.844 121.271 120.400 0.045 0.000 2.152 202 K HA 0.041 4.361 4.320 -0.000 0.000 0.206 202 K C 1.804 178.425 176.600 0.035 0.000 1.048 202 K CA 0.408 56.720 56.287 0.042 0.000 0.933 202 K CB -0.205 32.326 32.500 0.052 0.000 0.721 202 K HN 0.131 nan 8.250 nan 0.000 0.447 203 L N -1.674 119.570 121.223 0.034 0.000 2.270 203 L HA 0.128 4.468 4.340 -0.000 0.000 0.210 203 L C 1.306 178.191 176.870 0.025 0.000 1.104 203 L CA 1.689 56.545 54.840 0.027 0.000 0.804 203 L CB -0.821 41.255 42.059 0.027 0.000 0.937 203 L HN 0.500 nan 8.230 nan 0.000 0.450 204 G N -0.596 108.222 108.800 0.030 0.000 2.163 204 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.213 204 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.213 204 G C 0.562 175.482 174.900 0.034 0.000 0.991 204 G CA 0.598 45.716 45.100 0.029 0.000 0.653 204 G HN 0.348 nan 8.290 nan 0.000 0.518 205 T N -0.631 113.947 114.554 0.040 0.000 2.960 205 T HA 0.730 5.080 4.350 -0.000 0.000 0.279 205 T C 0.033 174.768 174.700 0.059 0.000 1.171 205 T CA 1.099 63.230 62.100 0.052 0.000 0.952 205 T CB 0.969 69.872 68.868 0.058 0.000 2.127 205 T HN 1.075 nan 8.240 nan 0.000 0.573 206 Q N 0.047 119.893 119.800 0.076 0.000 2.435 206 Q HA 0.477 4.817 4.340 -0.000 0.000 0.282 206 Q C -1.028 175.024 176.000 0.087 0.000 1.020 206 Q CA -0.739 55.108 55.803 0.073 0.000 0.820 206 Q CB 1.525 30.308 28.738 0.076 0.000 1.436 206 Q HN 0.666 nan 8.270 nan 0.000 0.395 207 M N 3.503 123.144 119.600 0.068 0.000 2.319 207 M HA 0.209 4.689 4.480 -0.000 0.000 0.343 207 M C -0.173 176.178 176.300 0.087 0.000 1.364 207 M CA -0.393 54.950 55.300 0.072 0.000 1.292 207 M CB 0.325 32.950 32.600 0.042 0.000 1.432 207 M HN 1.019 nan 8.290 nan 0.000 0.448 208 I N 4.020 124.650 120.570 0.100 0.000 2.113 208 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 208 I C 0.445 176.650 176.117 0.146 0.000 1.057 208 I CA 2.132 63.484 61.300 0.087 0.000 1.314 208 I CB -0.169 37.828 38.000 -0.005 0.000 1.022 208 I HN 0.862 nan 8.210 nan 0.000 0.408 209 H N -2.411 116.675 119.070 0.027 0.000 3.014 209 H HA 0.340 4.896 4.556 -0.000 0.000 0.337 209 H C -1.672 173.730 175.328 0.124 0.000 1.320 209 H CA -1.204 54.876 56.048 0.054 0.000 1.128 209 H CB 0.863 30.628 29.762 0.005 0.000 1.862 209 H HN -0.074 nan 8.280 nan 0.000 0.536 210 F N 4.472 123.845 119.950 -0.961 0.000 2.366 210 F HA 0.473 5.000 4.527 -0.000 0.000 0.366 210 F C -1.231 174.166 175.800 -0.672 0.000 1.096 210 F CA -0.729 56.914 58.000 -0.596 0.000 1.060 210 F CB 0.576 39.354 39.000 -0.369 0.000 1.282 210 F HN 0.329 nan 8.300 nan 0.000 0.450 211 V N 9.090 128.569 119.914 -0.725 0.000 2.415 211 V HA 0.204 4.324 4.120 -0.000 0.000 0.267 211 V C -1.703 173.922 176.094 -0.782 0.000 1.042 211 V CA -1.231 60.766 62.300 -0.505 0.000 1.000 211 V CB -0.076 31.655 31.823 -0.153 0.000 1.015 211 V HN 0.586 nan 8.190 nan 0.000 0.478 212 P HA 0.169 nan 4.420 nan 0.000 0.275 212 P C -0.582 176.541 177.300 -0.296 0.000 1.266 212 P CA -0.756 62.057 63.100 -0.477 0.000 0.793 212 P CB 1.082 32.641 31.700 -0.234 0.000 1.074 213 R N 1.180 121.567 120.500 -0.189 0.000 2.471 213 R HA 0.194 4.534 4.340 -0.000 0.000 0.292 213 R C -0.229 176.019 176.300 -0.086 0.000 1.192 213 R CA -0.399 55.628 56.100 -0.122 0.000 1.257 213 R CB -0.351 29.897 30.300 -0.087 0.000 1.130 213 R HN 0.395 nan 8.270 nan 0.000 0.558 214 D N 0.954 121.298 120.400 -0.093 0.000 2.253 214 D HA -0.004 4.636 4.640 -0.000 0.000 0.249 214 D C 0.015 176.284 176.300 -0.052 0.000 1.049 214 D CA -0.179 53.779 54.000 -0.069 0.000 0.929 214 D CB 1.366 42.115 40.800 -0.085 0.000 1.176 214 D HN 0.504 nan 8.370 nan 0.000 0.437 215 N N 2.251 120.927 118.700 -0.039 0.000 2.422 215 N HA -0.107 4.633 4.740 -0.000 0.000 0.181 215 N C 1.679 177.161 175.510 -0.046 0.000 1.080 215 N CA 0.083 53.109 53.050 -0.040 0.000 0.893 215 N CB 0.301 38.770 38.487 -0.031 0.000 0.973 215 N HN 0.265 nan 8.380 nan 0.000 0.456 216 V N 0.824 120.720 119.914 -0.029 0.000 2.688 216 V HA -0.151 3.969 4.120 -0.000 0.000 0.256 216 V C 2.031 178.077 176.094 -0.080 0.000 1.084 216 V CA 1.129 63.419 62.300 -0.016 0.000 1.103 216 V CB -0.276 31.580 31.823 0.055 0.000 0.688 216 V HN 0.084 nan 8.190 nan 0.000 0.480 217 V N -0.342 119.539 119.914 -0.055 0.000 2.307 217 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 217 V C 2.467 178.498 176.094 -0.104 0.000 1.045 217 V CA 2.168 64.438 62.300 -0.050 0.000 1.024 217 V CB -0.740 31.080 31.823 -0.006 0.000 0.651 217 V HN 0.509 nan 8.190 nan 0.000 0.449 218 Q N -0.569 119.173 119.800 -0.097 0.000 2.364 218 Q HA -0.122 4.218 4.340 -0.000 0.000 0.209 218 Q C 2.216 178.123 176.000 -0.156 0.000 0.977 218 Q CA 1.224 56.965 55.803 -0.103 0.000 0.885 218 Q CB -0.424 28.269 28.738 -0.075 0.000 0.941 218 Q HN 0.524 nan 8.270 nan 0.000 0.464 219 R N -0.533 119.829 120.500 -0.230 0.000 2.057 219 R HA -0.003 4.337 4.340 -0.000 0.000 0.229 219 R C 1.998 177.985 176.300 -0.522 0.000 1.136 219 R CA 1.166 57.045 56.100 -0.368 0.000 0.952 219 R CB -0.257 29.757 30.300 -0.476 0.000 0.848 219 R HN 0.272 nan 8.270 nan 0.000 0.430 220 A N 1.027 123.498 122.820 -0.582 0.000 1.883 220 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 220 A C 1.907 179.364 177.584 -0.212 0.000 1.186 220 A CA 1.720 53.495 52.037 -0.437 0.000 0.624 220 A CB -0.559 18.300 19.000 -0.235 0.000 0.822 220 A HN 0.467 nan 8.150 nan 0.000 0.444 221 E N -0.274 119.829 120.200 -0.161 0.000 2.049 221 E HA -0.221 4.129 4.350 -0.000 0.000 0.198 221 E C 1.921 178.467 176.600 -0.090 0.000 1.007 221 E CA 1.561 57.900 56.400 -0.100 0.000 0.809 221 E CB -0.421 29.228 29.700 -0.085 0.000 0.749 221 E HN 0.715 nan 8.360 nan 0.000 0.450 222 I N 0.466 120.970 120.570 -0.110 0.000 2.264 222 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 222 I C 2.423 178.492 176.117 -0.080 0.000 1.111 222 I CA 1.031 62.279 61.300 -0.087 0.000 1.382 222 I CB -0.177 37.767 38.000 -0.093 0.000 1.060 222 I HN -0.051 nan 8.210 nan 0.000 0.418 223 R N 0.706 121.139 120.500 -0.112 0.000 2.307 223 R HA 0.059 4.399 4.340 -0.000 0.000 0.199 223 R C 0.794 177.057 176.300 -0.061 0.000 1.000 223 R CA 0.322 56.372 56.100 -0.083 0.000 1.023 223 R CB -0.060 30.189 30.300 -0.086 0.000 0.908 223 R HN 0.177 nan 8.270 nan 0.000 0.473 224 R N -1.276 119.201 120.500 -0.038 0.000 3.922 224 R HA -0.177 4.163 4.340 -0.000 0.000 0.447 224 R C -0.029 176.336 176.300 0.108 0.000 1.035 224 R CA 1.569 57.684 56.100 0.025 0.000 1.289 224 R CB -2.003 28.329 30.300 0.053 0.000 1.906 224 R HN 0.314 nan 8.270 nan 0.000 0.540 225 M N -0.746 118.889 119.600 0.057 0.000 2.849 225 M HA 0.514 4.994 4.480 -0.000 0.000 0.299 225 M C 0.606 176.903 176.300 -0.005 0.000 1.223 225 M CA -0.623 54.743 55.300 0.110 0.000 0.856 225 M CB 1.273 33.952 32.600 0.131 0.000 1.680 225 M HN 0.008 nan 8.290 nan 0.000 0.506 226 T N -1.460 113.061 114.554 -0.056 0.000 2.922 226 T HA 0.383 4.733 4.350 -0.000 0.000 0.285 226 T C 1.159 175.834 174.700 -0.042 0.000 1.005 226 T CA -0.929 61.102 62.100 -0.116 0.000 1.061 226 T CB 1.312 70.037 68.868 -0.239 0.000 1.007 226 T HN 0.469 nan 8.240 nan 0.000 0.502 227 V N 1.894 121.813 119.914 0.009 0.000 2.439 227 V HA -0.188 3.932 4.120 -0.000 0.000 0.253 227 V C 2.423 178.578 176.094 0.101 0.000 1.074 227 V CA 1.540 63.913 62.300 0.122 0.000 1.076 227 V CB -1.021 30.949 31.823 0.244 0.000 0.664 227 V HN 0.786 nan 8.190 nan 0.000 0.461 228 I N -0.263 120.300 120.570 -0.011 0.000 2.193 228 I HA -0.148 4.022 4.170 -0.000 0.000 0.240 228 I C 2.549 178.617 176.117 -0.083 0.000 1.084 228 I CA 1.544 62.812 61.300 -0.053 0.000 1.365 228 I CB -1.025 36.903 38.000 -0.122 0.000 1.064 228 I HN 0.443 nan 8.210 nan 0.000 0.410 229 E N -0.278 119.777 120.200 -0.242 0.000 2.268 229 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 229 E C 2.125 178.757 176.600 0.053 0.000 0.995 229 E CA 0.918 57.258 56.400 -0.100 0.000 0.836 229 E CB 0.023 29.629 29.700 -0.157 0.000 0.763 229 E HN 0.468 nan 8.360 nan 0.000 0.491 230 Y N 0.762 121.030 120.300 -0.054 0.000 2.177 230 Y HA -0.031 4.519 4.550 -0.000 0.000 0.291 230 Y C 0.750 176.642 175.900 -0.013 0.000 1.117 230 Y CA 1.311 59.394 58.100 -0.028 0.000 1.114 230 Y CB 0.551 38.991 38.460 -0.033 0.000 1.017 230 Y HN -0.164 nan 8.280 nan 0.000 0.505 231 D N 0.643 120.991 120.400 -0.088 0.000 2.405 231 D HA 0.208 4.848 4.640 -0.000 0.000 0.264 231 D C -2.348 173.934 176.300 -0.029 0.000 1.240 231 D CA -2.051 51.853 54.000 -0.159 0.000 0.893 231 D CB 1.055 41.798 40.800 -0.095 0.000 1.198 231 D HN 0.115 nan 8.370 nan 0.000 0.514 232 P HA -0.092 nan 4.420 nan 0.000 0.234 232 P C 0.352 177.652 177.300 0.000 0.000 1.162 232 P CA 0.581 63.685 63.100 0.007 0.000 0.759 232 P CB 0.259 31.973 31.700 0.022 0.000 0.813 233 K N -1.431 118.960 120.400 -0.015 0.000 2.438 233 K HA 0.340 4.660 4.320 -0.000 0.000 0.206 233 K C 0.898 177.491 176.600 -0.011 0.000 1.081 233 K CA -0.310 55.969 56.287 -0.014 0.000 1.053 233 K CB 0.944 33.431 32.500 -0.021 0.000 0.908 233 K HN 0.005 nan 8.250 nan 0.000 0.556 234 A N 1.847 124.666 122.820 -0.002 0.000 2.386 234 A HA 0.083 4.403 4.320 -0.000 0.000 0.246 234 A C 0.917 178.489 177.584 -0.020 0.000 1.089 234 A CA -0.076 51.961 52.037 0.001 0.000 0.790 234 A CB 0.444 19.463 19.000 0.032 0.000 1.042 234 A HN 0.184 nan 8.150 nan 0.000 0.497 235 K N 0.056 120.439 120.400 -0.029 0.000 1.985 235 K HA -0.202 4.118 4.320 -0.000 0.000 0.210 235 K C 1.972 178.518 176.600 -0.091 0.000 1.047 235 K CA 1.752 58.011 56.287 -0.047 0.000 0.932 235 K CB -0.187 32.288 32.500 -0.042 0.000 0.716 235 K HN 0.675 nan 8.250 nan 0.000 0.439 236 Q N 1.009 120.736 119.800 -0.121 0.000 2.248 236 Q HA -0.145 4.195 4.340 -0.000 0.000 0.208 236 Q C 1.847 177.659 176.000 -0.315 0.000 0.984 236 Q CA 1.714 57.365 55.803 -0.254 0.000 0.875 236 Q CB -0.329 28.274 28.738 -0.226 0.000 0.910 236 Q HN 0.394 nan 8.270 nan 0.000 0.433 237 A N 0.349 123.099 122.820 -0.118 0.000 1.858 237 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 237 A C 1.795 179.352 177.584 -0.045 0.000 1.190 237 A CA 1.722 53.746 52.037 -0.022 0.000 0.617 237 A CB -0.687 18.323 19.000 0.018 0.000 0.827 237 A HN 0.404 nan 8.150 nan 0.000 0.443 238 D N -0.433 119.930 120.400 -0.061 0.000 2.378 238 D HA -0.078 4.562 4.640 -0.000 0.000 0.222 238 D C 1.672 177.911 176.300 -0.101 0.000 0.980 238 D CA 0.523 54.488 54.000 -0.058 0.000 0.907 238 D CB -0.054 40.721 40.800 -0.042 0.000 0.899 238 D HN 0.455 nan 8.370 nan 0.000 0.527 239 E N 0.078 120.177 120.200 -0.169 0.000 2.028 239 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 239 E C 2.026 178.486 176.600 -0.235 0.000 0.984 239 E CA 0.673 56.956 56.400 -0.196 0.000 0.800 239 E CB -0.283 29.244 29.700 -0.289 0.000 0.758 239 E HN 0.395 nan 8.360 nan 0.000 0.448 240 Y N 1.204 121.437 120.300 -0.112 0.000 2.181 240 Y HA -0.103 4.447 4.550 -0.000 0.000 0.288 240 Y C 2.461 178.244 175.900 -0.195 0.000 1.146 240 Y CA 0.915 58.923 58.100 -0.153 0.000 1.164 240 Y CB -0.558 37.828 38.460 -0.124 0.000 0.982 240 Y HN -0.012 nan 8.280 nan 0.000 0.515 241 R N -0.208 120.297 120.500 0.007 0.000 2.127 241 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 241 R C 2.395 178.629 176.300 -0.111 0.000 1.134 241 R CA 1.109 57.182 56.100 -0.044 0.000 0.975 241 R CB -0.584 29.700 30.300 -0.027 0.000 0.865 241 R HN 0.347 nan 8.270 nan 0.000 0.447 242 A N 0.936 123.641 122.820 -0.193 0.000 1.969 242 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 242 A C 2.017 179.408 177.584 -0.322 0.000 1.169 242 A CA 0.857 52.736 52.037 -0.262 0.000 0.635 242 A CB -0.240 18.540 19.000 -0.366 0.000 0.810 242 A HN 0.221 nan 8.150 nan 0.000 0.445 243 L N -0.513 120.482 121.223 -0.380 0.000 2.109 243 L HA 0.116 4.456 4.340 -0.000 0.000 0.207 243 L C 2.563 179.323 176.870 -0.182 0.000 1.086 243 L CA 1.831 56.512 54.840 -0.265 0.000 0.760 243 L CB -0.823 41.142 42.059 -0.157 0.000 0.910 243 L HN 0.307 nan 8.230 nan 0.000 0.437 244 A N -0.109 122.616 122.820 -0.158 0.000 1.877 244 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 244 A C 2.409 179.939 177.584 -0.090 0.000 1.186 244 A CA 1.793 53.743 52.037 -0.144 0.000 0.620 244 A CB -0.502 18.430 19.000 -0.115 0.000 0.822 244 A HN 0.479 nan 8.150 nan 0.000 0.443 245 R N -0.227 120.232 120.500 -0.069 0.000 2.088 245 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 245 R C 2.312 178.606 176.300 -0.011 0.000 1.136 245 R CA 1.837 57.922 56.100 -0.025 0.000 0.926 245 R CB -0.422 29.860 30.300 -0.029 0.000 0.837 245 R HN 0.495 nan 8.270 nan 0.000 0.429 246 K N 0.236 120.613 120.400 -0.039 0.000 2.077 246 K HA -0.202 4.118 4.320 -0.000 0.000 0.213 246 K C 2.128 178.731 176.600 0.007 0.000 1.051 246 K CA 1.988 58.266 56.287 -0.015 0.000 0.929 246 K CB -0.379 32.100 32.500 -0.036 0.000 0.715 246 K HN 0.024 nan 8.250 nan 0.000 0.451 247 V N 0.930 120.816 119.914 -0.046 0.000 2.261 247 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 247 V C 2.290 178.493 176.094 0.183 0.000 1.047 247 V CA 1.621 63.923 62.300 0.003 0.000 1.015 247 V CB -0.419 31.343 31.823 -0.101 0.000 0.642 247 V HN 0.115 nan 8.190 nan 0.000 0.446 248 V N 0.207 120.217 119.914 0.161 0.000 2.370 248 V HA -0.276 3.844 4.120 -0.000 0.000 0.252 248 V C 1.401 177.629 176.094 0.224 0.000 1.068 248 V CA 2.227 64.698 62.300 0.286 0.000 1.061 248 V CB -0.526 31.420 31.823 0.204 0.000 0.656 248 V HN 0.624 nan 8.190 nan 0.000 0.455 249 D N -0.763 119.727 120.400 0.149 0.000 2.593 249 D HA 0.161 4.801 4.640 -0.000 0.000 0.241 249 D C 0.273 176.645 176.300 0.119 0.000 1.257 249 D CA -0.163 53.909 54.000 0.120 0.000 0.828 249 D CB -0.110 40.740 40.800 0.085 0.000 1.049 249 D HN 0.429 nan 8.370 nan 0.000 0.490 250 N N 1.104 119.900 118.700 0.160 0.000 2.415 250 N HA -0.029 4.711 4.740 -0.000 0.000 0.248 250 N C 0.985 176.577 175.510 0.136 0.000 1.271 250 N CA 0.431 53.582 53.050 0.169 0.000 0.913 250 N CB 0.733 39.388 38.487 0.280 0.000 1.129 250 N HN -0.271 nan 8.380 nan 0.000 0.444 251 K N 1.777 122.245 120.400 0.113 0.000 2.562 251 K HA 0.163 4.483 4.320 -0.000 0.000 0.218 251 K C 0.101 176.744 176.600 0.072 0.000 1.374 251 K CA 0.058 56.394 56.287 0.082 0.000 0.996 251 K CB 0.184 32.722 32.500 0.064 0.000 1.127 251 K HN 0.416 nan 8.250 nan 0.000 0.603 252 L N 2.936 124.213 121.223 0.089 0.000 2.930 252 L HA 0.060 4.400 4.340 -0.000 0.000 0.250 252 L C -0.183 176.720 176.870 0.055 0.000 1.320 252 L CA 0.277 55.161 54.840 0.073 0.000 1.163 252 L CB -0.377 41.734 42.059 0.087 0.000 1.542 252 L HN -0.140 nan 8.230 nan 0.000 0.428 253 L N 1.234 122.480 121.223 0.038 0.000 2.515 253 L HA 0.202 4.542 4.340 -0.000 0.000 0.281 253 L C 0.426 177.296 176.870 0.001 0.000 1.131 253 L CA 0.375 55.216 54.840 0.002 0.000 0.905 253 L CB -0.405 41.650 42.059 -0.007 0.000 1.246 253 L HN 0.093 nan 8.230 nan 0.000 0.463 254 V N 1.779 121.691 119.914 -0.003 0.000 3.139 254 V HA 0.626 4.746 4.120 -0.000 0.000 0.310 254 V C -0.050 176.038 176.094 -0.009 0.000 1.260 254 V CA -1.048 61.252 62.300 0.000 0.000 1.064 254 V CB 2.773 34.603 31.823 0.012 0.000 1.160 254 V HN 0.349 nan 8.190 nan 0.000 0.470 255 I N 3.257 123.825 120.570 -0.004 0.000 2.328 255 I HA 0.426 4.596 4.170 -0.000 0.000 0.287 255 I C -2.229 173.887 176.117 -0.002 0.000 1.012 255 I CA -1.876 59.420 61.300 -0.006 0.000 1.195 255 I CB 2.063 40.062 38.000 -0.002 0.000 1.350 255 I HN 0.631 nan 8.210 nan 0.000 0.464 256 P HA 0.032 nan 4.420 nan 0.000 0.269 256 P C -1.122 176.180 177.300 0.003 0.000 1.215 256 P CA -0.236 62.864 63.100 -0.000 0.000 0.780 256 P CB 0.681 32.376 31.700 -0.008 0.000 0.898 257 N N 2.126 120.832 118.700 0.009 0.000 2.707 257 N HA 0.292 5.032 4.740 -0.000 0.000 0.235 257 N C -2.435 173.082 175.510 0.013 0.000 1.028 257 N CA -1.401 51.656 53.050 0.011 0.000 0.906 257 N CB 0.217 38.712 38.487 0.014 0.000 1.131 257 N HN 0.254 nan 8.380 nan 0.000 0.509 258 P HA 0.052 nan 4.420 nan 0.000 0.269 258 P C 0.259 177.571 177.300 0.020 0.000 1.211 258 P CA 0.131 63.238 63.100 0.011 0.000 0.781 258 P CB 0.714 32.417 31.700 0.006 0.000 0.877 259 I N -2.565 118.022 120.570 0.028 0.000 3.133 259 I HA 0.674 4.844 4.170 -0.000 0.000 0.311 259 I C 0.054 176.199 176.117 0.046 0.000 1.072 259 I CA -1.037 60.285 61.300 0.037 0.000 1.015 259 I CB 2.018 40.045 38.000 0.045 0.000 1.233 259 I HN 0.248 nan 8.210 nan 0.000 0.473 260 T N -0.718 113.865 114.554 0.048 0.000 2.902 260 T HA 0.228 4.578 4.350 -0.000 0.000 0.280 260 T C 0.935 175.679 174.700 0.073 0.000 0.992 260 T CA -0.755 61.378 62.100 0.056 0.000 1.015 260 T CB 1.520 70.414 68.868 0.043 0.000 1.044 260 T HN 0.741 nan 8.240 nan 0.000 0.520 261 M N 0.879 120.531 119.600 0.086 0.000 2.144 261 M HA -0.148 4.332 4.480 -0.000 0.000 0.260 261 M C 1.085 177.423 176.300 0.063 0.000 1.067 261 M CA 2.083 57.441 55.300 0.097 0.000 1.095 261 M CB -1.306 31.343 32.600 0.082 0.000 1.365 261 M HN 0.779 nan 8.290 nan 0.000 0.406 262 D N -0.288 120.140 120.400 0.047 0.000 2.084 262 D HA -0.170 4.470 4.640 -0.000 0.000 0.196 262 D C 1.780 178.102 176.300 0.038 0.000 0.985 262 D CA 1.464 55.485 54.000 0.035 0.000 0.826 262 D CB -0.364 40.452 40.800 0.026 0.000 0.978 262 D HN 0.483 nan 8.370 nan 0.000 0.456 263 E N 0.365 120.590 120.200 0.041 0.000 2.130 263 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 263 E C 2.131 178.764 176.600 0.055 0.000 0.998 263 E CA 0.406 56.831 56.400 0.042 0.000 0.806 263 E CB -0.156 29.569 29.700 0.042 0.000 0.738 263 E HN 0.292 nan 8.360 nan 0.000 0.459 264 L N 1.188 122.452 121.223 0.068 0.000 1.976 264 L HA -0.253 4.087 4.340 -0.000 0.000 0.209 264 L C 2.249 179.167 176.870 0.079 0.000 1.071 264 L CA 1.644 56.535 54.840 0.085 0.000 0.746 264 L CB -0.191 41.932 42.059 0.107 0.000 0.890 264 L HN 0.127 nan 8.230 nan 0.000 0.432 265 E N -0.306 119.931 120.200 0.062 0.000 2.065 265 E HA -0.360 3.990 4.350 -0.000 0.000 0.201 265 E C 1.969 178.596 176.600 0.044 0.000 1.016 265 E CA 1.787 58.215 56.400 0.046 0.000 0.818 265 E CB -0.363 29.354 29.700 0.028 0.000 0.749 265 E HN 0.530 nan 8.360 nan 0.000 0.453 266 E N 1.040 121.260 120.200 0.033 0.000 2.136 266 E HA -0.280 4.070 4.350 -0.000 0.000 0.208 266 E C 2.127 178.735 176.600 0.013 0.000 1.035 266 E CA 1.353 57.762 56.400 0.015 0.000 0.838 266 E CB -0.190 29.517 29.700 0.012 0.000 0.748 266 E HN 0.285 nan 8.360 nan 0.000 0.459 267 L N 0.296 121.554 121.223 0.058 0.000 1.988 267 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 267 L C 2.820 179.798 176.870 0.179 0.000 1.071 267 L CA 0.981 55.891 54.840 0.117 0.000 0.744 267 L CB -0.536 41.663 42.059 0.232 0.000 0.893 267 L HN 0.254 nan 8.230 nan 0.000 0.433 268 L N -0.209 121.115 121.223 0.169 0.000 1.965 268 L HA -0.347 3.993 4.340 -0.000 0.000 0.226 268 L C 2.862 179.802 176.870 0.116 0.000 1.083 268 L CA 2.297 57.231 54.840 0.157 0.000 0.790 268 L CB -0.873 41.243 42.059 0.096 0.000 0.898 268 L HN 0.436 nan 8.230 nan 0.000 0.439 269 M N -0.059 119.576 119.600 0.057 0.000 2.108 269 M HA -0.245 4.235 4.480 -0.000 0.000 0.257 269 M C 1.998 178.296 176.300 -0.003 0.000 1.071 269 M CA 2.468 57.783 55.300 0.025 0.000 1.093 269 M CB -0.944 31.660 32.600 0.006 0.000 1.345 269 M HN 0.294 nan 8.290 nan 0.000 0.403 270 E N 1.102 121.272 120.200 -0.050 0.000 2.110 270 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 270 E C 1.349 177.801 176.600 -0.247 0.000 0.988 270 E CA 1.627 57.919 56.400 -0.180 0.000 0.804 270 E CB -0.798 28.728 29.700 -0.290 0.000 0.745 270 E HN 0.642 nan 8.360 nan 0.000 0.458 271 F N -0.017 119.932 119.950 -0.001 0.000 2.797 271 F HA 0.368 4.895 4.527 -0.000 0.000 0.302 271 F C 1.719 177.516 175.800 -0.004 0.000 1.130 271 F CA 0.733 58.730 58.000 -0.005 0.000 1.387 271 F CB 0.742 39.739 39.000 -0.006 0.000 1.107 271 F HN 0.311 nan 8.300 nan 0.000 0.577 272 G N -0.493 108.383 108.800 0.126 0.000 2.176 272 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.232 272 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.232 272 G C 1.123 176.070 174.900 0.078 0.000 0.986 272 G CA 0.354 45.502 45.100 0.081 0.000 0.643 272 G HN 0.164 nan 8.290 nan 0.000 0.522 273 I N 0.456 121.087 120.570 0.102 0.000 2.130 273 I HA 0.208 4.378 4.170 -0.000 0.000 0.232 273 I C 2.038 178.186 176.117 0.052 0.000 1.064 273 I CA 1.197 62.542 61.300 0.076 0.000 1.338 273 I CB -0.996 37.057 38.000 0.088 0.000 1.084 273 I HN 0.468 nan 8.210 nan 0.000 0.404 274 M N 0.805 120.437 119.600 0.053 0.000 2.202 274 M HA 0.103 4.583 4.480 -0.000 0.000 0.316 274 M C 0.483 176.798 176.300 0.024 0.000 1.138 274 M CA -0.185 55.135 55.300 0.033 0.000 1.151 274 M CB 1.019 33.639 32.600 0.033 0.000 1.422 274 M HN 0.052 nan 8.290 nan 0.000 0.471 275 E N 1.381 121.589 120.200 0.015 0.000 3.601 275 E HA 0.400 4.750 4.350 -0.000 0.000 0.273 275 E C -0.945 175.659 176.600 0.005 0.000 1.368 275 E CA -0.418 55.988 56.400 0.009 0.000 1.286 275 E CB 0.341 30.045 29.700 0.006 0.000 1.383 275 E HN 0.528 nan 8.360 nan 0.000 0.746 276 V N 0.426 120.341 119.914 0.001 0.000 2.483 276 V HA 0.187 4.307 4.120 -0.000 0.000 0.297 276 V C 0.130 176.223 176.094 -0.002 0.000 1.027 276 V CA -0.867 61.432 62.300 -0.002 0.000 0.855 276 V CB 1.322 33.142 31.823 -0.005 0.000 0.995 276 V HN 0.508 nan 8.190 nan 0.000 0.424 277 E N 2.887 123.086 120.200 -0.002 0.000 2.465 277 E HA -0.010 4.340 4.350 -0.000 0.000 0.260 277 E C -0.612 175.986 176.600 -0.003 0.000 0.980 277 E CA 0.013 56.411 56.400 -0.002 0.000 0.927 277 E CB 0.604 30.302 29.700 -0.003 0.000 0.934 277 E HN 0.761 nan 8.360 nan 0.000 0.459 278 D N 4.395 124.793 120.400 -0.003 0.000 2.514 278 D HA 0.051 4.691 4.640 -0.000 0.000 0.267 278 D C 0.648 176.947 176.300 -0.002 0.000 1.165 278 D CA -0.316 53.683 54.000 -0.003 0.000 0.958 278 D CB 0.391 41.190 40.800 -0.002 0.000 0.992 278 D HN 0.522 nan 8.370 nan 0.000 0.506 279 E N 0.864 121.063 120.200 -0.002 0.000 2.279 279 E HA -0.277 4.073 4.350 -0.000 0.000 0.205 279 E C 1.525 178.124 176.600 -0.002 0.000 1.028 279 E CA 1.994 58.392 56.400 -0.002 0.000 0.830 279 E CB 0.156 29.855 29.700 -0.002 0.000 0.736 279 E HN 0.479 nan 8.360 nan 0.000 0.478 280 S N 0.225 115.924 115.700 -0.002 0.000 2.329 280 S HA -0.164 4.306 4.470 -0.000 0.000 0.215 280 S C 2.175 176.774 174.600 -0.002 0.000 1.031 280 S CA 1.020 59.219 58.200 -0.002 0.000 0.985 280 S CB -1.092 62.107 63.200 -0.002 0.000 0.917 280 S HN 0.530 nan 8.310 nan 0.000 0.441 281 I N 1.258 121.827 120.570 -0.002 0.000 3.055 281 I HA 0.042 4.212 4.170 -0.000 0.000 0.277 281 I C -0.020 176.096 176.117 -0.002 0.000 1.306 281 I CA 0.121 61.420 61.300 -0.001 0.000 1.426 281 I CB -1.136 36.863 38.000 -0.001 0.000 1.081 281 I HN 0.012 nan 8.210 nan 0.000 0.502 282 V N 3.955 123.868 119.914 -0.002 0.000 2.441 282 V HA 0.229 4.349 4.120 -0.000 0.000 0.279 282 V C 1.466 177.559 176.094 -0.001 0.000 0.990 282 V CA 0.920 63.219 62.300 -0.002 0.000 1.116 282 V CB -0.698 31.124 31.823 -0.002 0.000 0.977 282 V HN 0.786 nan 8.190 nan 0.000 0.470 283 G N 3.760 112.559 108.800 -0.001 0.000 2.141 283 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.231 283 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.231 283 G C 0.029 174.928 174.900 -0.001 0.000 0.984 283 G CA -0.372 44.727 45.100 -0.001 0.000 0.660 283 G HN 0.547 nan 8.290 nan 0.000 0.525 284 K N 1.834 122.234 120.400 -0.001 0.000 2.185 284 K HA 0.583 4.903 4.320 -0.000 0.000 0.269 284 K C 0.848 177.447 176.600 -0.001 0.000 0.987 284 K CA 0.074 56.361 56.287 -0.001 0.000 0.865 284 K CB 1.381 33.881 32.500 -0.001 0.000 1.090 284 K HN 0.507 nan 8.250 nan 0.000 0.450 285 T N -1.852 112.702 114.554 -0.001 0.000 2.828 285 T HA 0.268 4.618 4.350 -0.000 0.000 0.290 285 T C 1.304 176.004 174.700 -0.000 0.000 1.019 285 T CA -0.319 61.780 62.100 -0.000 0.000 1.031 285 T CB 1.048 69.916 68.868 -0.000 0.000 1.001 285 T HN 0.464 nan 8.240 nan 0.000 0.531 286 A N 0.416 123.236 122.820 -0.000 0.000 2.259 286 A HA 0.034 4.354 4.320 -0.000 0.000 0.212 286 A C 1.900 179.484 177.584 -0.000 0.000 1.178 286 A CA 1.106 53.143 52.037 -0.000 0.000 0.734 286 A CB -0.867 18.133 19.000 -0.000 0.000 0.774 286 A HN 0.959 nan 8.150 nan 0.000 0.481 287 E N -0.549 119.651 120.200 -0.000 0.000 2.152 287 E HA -0.058 4.292 4.350 -0.000 0.000 0.195 287 E C 1.902 178.502 176.600 -0.000 0.000 0.934 287 E CA 0.714 57.113 56.400 -0.000 0.000 0.869 287 E CB -0.101 29.599 29.700 -0.000 0.000 0.842 287 E HN 0.859 nan 8.360 nan 0.000 0.472 288 E N 0.513 120.712 120.200 -0.000 0.000 2.268 288 E HA -0.034 4.316 4.350 -0.000 0.000 0.195 288 E C 0.521 177.121 176.600 -0.001 0.000 0.995 288 E CA 0.657 57.056 56.400 -0.000 0.000 0.836 288 E CB 0.347 30.047 29.700 -0.000 0.000 0.763 288 E HN -0.054 nan 8.360 nan 0.000 0.491 289 V N 0.000 119.914 119.914 -0.001 0.000 2.409 289 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 289 V CA 0.000 62.300 62.300 -0.001 0.000 1.235 289 V CB 0.000 31.823 31.823 -0.001 0.000 1.184 289 V HN 0.000 nan 8.190 nan 0.000 0.556