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 2rjh_1_D DATA FIRST_RESID 3 DATA SEQUENCE AATVVINRRA LRHNLQRLRE LAPASKMVAV VKANAYGHGL LETARTLPDA DATA SEQUENCE DAFGVARLEE ALRLRAGGIT KPVLLLEGFF DARDLPTISA QHFHTAVHNE DATA SEQUENCE EQLAALEEAS LDEPVTVWMX LDTGMHRLGV RPEQAEAFYH RLTQCKNVRQ DATA SEQUENCE PVNIVSHFAR ADEPKCGATE KQLAIFNTFC EGKPGQRSIA ASGGILLWPQ DATA SEQUENCE SHFDWVRPGI ILYGVSPLED RSTGADFGCQ PVMSLTSSLI AVREHKAGEP DATA SEQUENCE VGYGGTWVSE RDTRLGVVAM GYGDGYPRAA PSGTPVLVNG REVPIVGRVA DATA SEQUENCE MDMICVDLGP QAQDKAGDPV ILWGEGLPVE RIAEMTKVSA YELITRLTSR DATA SEQUENCE VAMKYVD 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 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.528 177.584 -0.093 0.000 1.274 3 A CA 0.000 51.991 52.037 -0.076 0.000 0.836 3 A CB 0.000 18.964 19.000 -0.061 0.000 0.831 4 A N 1.397 124.160 122.820 -0.096 0.000 2.513 4 A HA 0.534 4.854 4.320 -0.000 0.000 0.274 4 A C 0.355 177.875 177.584 -0.107 0.000 1.115 4 A CA 1.201 53.171 52.037 -0.112 0.000 0.792 4 A CB -0.921 18.020 19.000 -0.098 0.000 1.053 4 A HN 1.191 nan 8.150 nan 0.000 0.515 5 T N 2.427 116.903 114.554 -0.130 0.000 2.881 5 T HA 0.428 4.778 4.350 -0.000 0.000 0.290 5 T C -0.571 174.031 174.700 -0.163 0.000 1.000 5 T CA -0.414 61.611 62.100 -0.126 0.000 0.978 5 T CB 1.549 70.354 68.868 -0.106 0.000 0.997 5 T HN 0.333 nan 8.240 nan 0.000 0.443 6 V N 4.015 123.829 119.914 -0.167 0.000 2.350 6 V HA 0.357 4.476 4.120 -0.000 0.000 0.276 6 V C -0.045 175.922 176.094 -0.211 0.000 1.028 6 V CA -0.558 61.625 62.300 -0.196 0.000 0.860 6 V CB 1.358 33.069 31.823 -0.187 0.000 0.990 6 V HN 0.724 nan 8.190 nan 0.000 0.453 7 V N 6.819 126.627 119.914 -0.177 0.000 2.383 7 V HA 0.399 4.519 4.120 -0.000 0.000 0.275 7 V C 0.101 176.110 176.094 -0.142 0.000 1.036 7 V CA -0.486 61.713 62.300 -0.168 0.000 0.889 7 V CB 1.713 33.477 31.823 -0.099 0.000 0.985 7 V HN 0.672 nan 8.190 nan 0.000 0.459 8 I N 5.482 125.911 120.570 -0.235 0.000 2.315 8 I HA 0.359 4.529 4.170 -0.000 0.000 0.291 8 I C -0.163 175.986 176.117 0.053 0.000 1.006 8 I CA -0.041 61.207 61.300 -0.086 0.000 1.265 8 I CB 1.204 39.213 38.000 0.015 0.000 1.387 8 I HN 0.614 nan 8.210 nan 0.000 0.475 9 N N 7.825 126.592 118.700 0.112 0.000 2.437 9 N HA 0.215 4.954 4.740 -0.000 0.000 0.243 9 N C 0.862 176.457 175.510 0.142 0.000 1.041 9 N CA -0.180 52.935 53.050 0.110 0.000 0.940 9 N CB 0.827 39.367 38.487 0.088 0.000 1.133 9 N HN 0.629 nan 8.380 nan 0.000 0.506 10 R N 2.259 122.851 120.500 0.153 0.000 2.148 10 R HA -0.053 4.287 4.340 -0.000 0.000 0.227 10 R C 1.872 178.233 176.300 0.101 0.000 1.103 10 R CA 0.787 56.974 56.100 0.145 0.000 0.983 10 R CB 0.151 30.535 30.300 0.141 0.000 0.874 10 R HN 0.510 nan 8.270 nan 0.000 0.451 11 R N 1.027 121.578 120.500 0.086 0.000 2.073 11 R HA -0.052 4.287 4.340 -0.000 0.000 0.229 11 R C 2.139 178.490 176.300 0.085 0.000 1.120 11 R CA 1.321 57.465 56.100 0.073 0.000 0.967 11 R CB -0.156 30.176 30.300 0.054 0.000 0.862 11 R HN 0.199 nan 8.270 nan 0.000 0.436 12 A N 1.203 124.068 122.820 0.074 0.000 1.902 12 A HA -0.151 4.168 4.320 -0.000 0.000 0.217 12 A C 1.996 179.639 177.584 0.097 0.000 1.181 12 A CA 0.988 53.068 52.037 0.072 0.000 0.623 12 A CB -0.557 18.479 19.000 0.060 0.000 0.818 12 A HN 0.333 nan 8.150 nan 0.000 0.443 13 L N 0.066 121.334 121.223 0.075 0.000 2.012 13 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 13 L C 2.566 179.443 176.870 0.012 0.000 1.073 13 L CA 1.976 56.829 54.840 0.022 0.000 0.748 13 L CB -0.729 41.361 42.059 0.052 0.000 0.891 13 L HN 0.376 nan 8.230 nan 0.000 0.431 14 R N -1.849 118.678 120.500 0.046 0.000 2.092 14 R HA -0.183 4.157 4.340 -0.000 0.000 0.231 14 R C 2.325 178.641 176.300 0.026 0.000 1.119 14 R CA 1.157 57.274 56.100 0.029 0.000 0.970 14 R CB -0.723 29.602 30.300 0.042 0.000 0.864 14 R HN 0.546 nan 8.270 nan 0.000 0.440 15 H N 1.398 120.458 119.070 -0.016 0.000 2.353 15 H HA -0.059 4.497 4.556 -0.000 0.000 0.300 15 H C 1.217 176.527 175.328 -0.031 0.000 1.090 15 H CA 1.502 57.540 56.048 -0.016 0.000 1.327 15 H CB 0.182 29.942 29.762 -0.003 0.000 1.383 15 H HN 0.129 nan 8.280 nan 0.000 0.508 16 N N 1.064 119.790 118.700 0.044 0.000 2.244 16 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 16 N C 2.325 177.758 175.510 -0.128 0.000 1.016 16 N CA 0.458 53.487 53.050 -0.034 0.000 0.866 16 N CB -0.378 38.093 38.487 -0.028 0.000 0.980 16 N HN 0.386 nan 8.380 nan 0.000 0.430 17 L N 0.663 121.810 121.223 -0.127 0.000 2.056 17 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 17 L C 2.324 179.108 176.870 -0.144 0.000 1.078 17 L CA 1.457 56.215 54.840 -0.136 0.000 0.749 17 L CB -0.111 41.882 42.059 -0.110 0.000 0.901 17 L HN 0.115 nan 8.230 nan 0.000 0.433 18 Q N 0.284 119.990 119.800 -0.156 0.000 2.079 18 Q HA -0.253 4.086 4.340 -0.000 0.000 0.200 18 Q C 2.141 178.025 176.000 -0.192 0.000 0.974 18 Q CA 1.671 57.376 55.803 -0.164 0.000 0.840 18 Q CB -0.201 28.439 28.738 -0.163 0.000 0.898 18 Q HN 0.222 nan 8.270 nan 0.000 0.430 19 R N -0.137 120.200 120.500 -0.272 0.000 2.096 19 R HA -0.035 4.304 4.340 -0.000 0.000 0.235 19 R C 1.973 178.197 176.300 -0.127 0.000 1.127 19 R CA 1.553 57.515 56.100 -0.230 0.000 0.968 19 R CB -0.708 29.430 30.300 -0.270 0.000 0.861 19 R HN 0.436 nan 8.270 nan 0.000 0.440 20 L N -0.171 120.974 121.223 -0.130 0.000 2.156 20 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 20 L C 2.484 179.277 176.870 -0.128 0.000 1.095 20 L CA 1.246 56.014 54.840 -0.120 0.000 0.770 20 L CB -0.320 41.656 42.059 -0.138 0.000 0.914 20 L HN 0.167 nan 8.230 nan 0.000 0.439 21 R N 0.098 120.521 120.500 -0.128 0.000 2.148 21 R HA -0.146 4.194 4.340 -0.000 0.000 0.227 21 R C 1.998 178.244 176.300 -0.091 0.000 1.103 21 R CA 1.099 57.127 56.100 -0.120 0.000 0.983 21 R CB -0.183 30.047 30.300 -0.116 0.000 0.874 21 R HN 0.481 nan 8.270 nan 0.000 0.451 22 E N 0.526 120.678 120.200 -0.081 0.000 2.152 22 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 22 E C 1.876 178.462 176.600 -0.025 0.000 0.983 22 E CA 0.758 57.127 56.400 -0.051 0.000 0.818 22 E CB 0.083 29.752 29.700 -0.052 0.000 0.758 22 E HN 0.315 nan 8.360 nan 0.000 0.467 23 L N -0.156 121.048 121.223 -0.032 0.000 2.209 23 L HA 0.072 4.412 4.340 -0.000 0.000 0.207 23 L C 1.232 178.116 176.870 0.024 0.000 1.094 23 L CA 0.337 55.183 54.840 0.011 0.000 0.790 23 L CB 0.146 42.207 42.059 0.003 0.000 0.932 23 L HN -0.031 nan 8.230 nan 0.000 0.447 24 A N 0.006 122.764 122.820 -0.104 0.000 3.204 24 A HA 0.377 4.696 4.320 -0.000 0.000 0.327 24 A C -1.737 175.800 177.584 -0.078 0.000 0.998 24 A CA -0.933 51.004 52.037 -0.167 0.000 0.891 24 A CB -0.100 18.582 19.000 -0.530 0.000 1.061 24 A HN -0.043 nan 8.150 nan 0.000 0.478 25 P HA -0.092 nan 4.420 nan 0.000 0.228 25 P C 0.804 178.088 177.300 -0.026 0.000 1.151 25 P CA 1.600 64.684 63.100 -0.027 0.000 0.770 25 P CB 0.344 32.040 31.700 -0.007 0.000 0.786 26 A N -1.241 121.579 122.820 -0.001 0.000 2.564 26 A HA 0.414 4.734 4.320 -0.000 0.000 0.279 26 A C 0.469 178.046 177.584 -0.012 0.000 1.232 26 A CA -0.071 51.967 52.037 0.002 0.000 0.950 26 A CB 0.151 19.175 19.000 0.040 0.000 1.138 26 A HN 0.050 nan 8.150 nan 0.000 0.526 27 S N 0.320 115.983 115.700 -0.062 0.000 2.526 27 S HA 0.454 4.924 4.470 -0.000 0.000 0.293 27 S C -0.364 174.088 174.600 -0.246 0.000 1.092 27 S CA -0.725 57.415 58.200 -0.100 0.000 0.980 27 S CB 1.661 64.834 63.200 -0.044 0.000 1.048 27 S HN 0.444 nan 8.310 nan 0.000 0.483 28 K N 1.558 121.671 120.400 -0.478 0.000 2.107 28 K HA 0.433 4.752 4.320 -0.000 0.000 0.251 28 K C -0.479 175.853 176.600 -0.448 0.000 1.012 28 K CA -0.458 55.393 56.287 -0.726 0.000 0.920 28 K CB 0.377 31.866 32.500 -1.685 0.000 1.033 28 K HN 0.385 nan 8.250 nan 0.000 0.478 29 M N 2.148 121.537 119.600 -0.352 0.000 2.205 29 M HA 0.234 4.714 4.480 -0.000 0.000 0.344 29 M C -0.796 175.493 176.300 -0.019 0.000 1.085 29 M CA -0.757 54.454 55.300 -0.148 0.000 1.001 29 M CB 1.476 33.971 32.600 -0.174 0.000 1.626 29 M HN 0.212 nan 8.290 nan 0.000 0.442 30 V N 3.282 123.233 119.914 0.061 0.000 2.277 30 V HA 0.387 4.507 4.120 -0.000 0.000 0.269 30 V C 0.480 176.550 176.094 -0.040 0.000 1.036 30 V CA -0.953 61.371 62.300 0.040 0.000 0.821 30 V CB 0.883 32.718 31.823 0.020 0.000 1.052 30 V HN 0.936 nan 8.190 nan 0.000 0.462 31 A N 5.366 128.137 122.820 -0.083 0.000 2.444 31 A HA 0.454 4.774 4.320 -0.000 0.000 0.287 31 A C 0.119 177.762 177.584 0.098 0.000 1.195 31 A CA -0.126 51.903 52.037 -0.012 0.000 0.858 31 A CB -0.012 19.025 19.000 0.062 0.000 1.117 31 A HN 0.650 nan 8.150 nan 0.000 0.521 32 V N 4.775 124.703 119.914 0.023 0.000 2.397 32 V HA 0.124 4.243 4.120 -0.000 0.000 0.262 32 V C 1.053 177.233 176.094 0.143 0.000 1.047 32 V CA 0.597 62.943 62.300 0.077 0.000 1.003 32 V CB 0.649 32.508 31.823 0.061 0.000 1.037 32 V HN 0.926 nan 8.190 nan 0.000 0.480 33 V N 2.486 122.521 119.914 0.201 0.000 3.085 33 V HA 0.291 4.411 4.120 -0.000 0.000 0.345 33 V C 0.761 176.984 176.094 0.214 0.000 1.397 33 V CA -0.607 61.830 62.300 0.228 0.000 1.165 33 V CB -0.622 31.280 31.823 0.133 0.000 1.153 33 V HN 0.828 nan 8.190 nan 0.000 0.495 34 K N 0.957 121.505 120.400 0.247 0.000 2.180 34 K HA 0.641 4.960 4.320 -0.000 0.000 0.251 34 K C 0.664 177.371 176.600 0.178 0.000 1.014 34 K CA 0.233 56.624 56.287 0.173 0.000 0.913 34 K CB 0.638 33.219 32.500 0.136 0.000 1.008 34 K HN 1.207 nan 8.250 nan 0.000 0.490 35 A N 1.543 124.409 122.820 0.077 0.000 2.734 35 A HA -0.225 4.095 4.320 -0.000 0.000 0.296 35 A C 0.360 177.981 177.584 0.062 0.000 1.474 35 A CA 0.943 52.998 52.037 0.030 0.000 0.735 35 A CB -2.486 16.475 19.000 -0.065 0.000 1.062 35 A HN 1.079 nan 8.150 nan 0.000 0.463 36 N N -2.258 116.487 118.700 0.075 0.000 2.740 36 N HA 0.050 4.790 4.740 -0.000 0.000 0.248 36 N C 0.496 176.084 175.510 0.130 0.000 1.062 36 N CA 2.439 55.539 53.050 0.083 0.000 0.704 36 N CB -1.577 36.947 38.487 0.062 0.000 0.968 36 N HN 2.416 nan 8.380 nan 0.000 0.547 37 A N -0.312 122.613 122.820 0.175 0.000 2.739 37 A HA -0.213 4.107 4.320 -0.000 0.000 0.296 37 A C 0.678 178.328 177.584 0.110 0.000 1.488 37 A CA 1.285 53.451 52.037 0.215 0.000 0.746 37 A CB -2.390 16.748 19.000 0.230 0.000 1.047 37 A HN 1.318 nan 8.150 nan 0.000 0.477 38 Y N -3.058 117.171 120.300 -0.118 0.000 3.825 38 Y HA -0.134 4.416 4.550 -0.000 0.000 0.221 38 Y C 2.013 177.888 175.900 -0.042 0.000 1.195 38 Y CA 2.031 60.044 58.100 -0.146 0.000 1.699 38 Y CB -1.714 36.479 38.460 -0.445 0.000 1.531 38 Y HN 2.418 nan 8.280 nan 0.000 0.640 39 G N -1.767 107.087 108.800 0.090 0.000 2.176 39 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.253 39 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.253 39 G C 0.480 175.315 174.900 -0.109 0.000 0.979 39 G CA 0.486 45.573 45.100 -0.021 0.000 0.641 39 G HN 0.624 nan 8.290 nan 0.000 0.530 40 H N 0.211 119.265 119.070 -0.026 0.000 2.575 40 H HA 0.478 5.034 4.556 -0.000 0.000 0.267 40 H C 1.496 176.927 175.328 0.172 0.000 0.966 40 H CA 1.070 57.152 56.048 0.055 0.000 1.165 40 H CB 0.709 30.524 29.762 0.088 0.000 1.433 40 H HN 1.489 nan 8.280 nan 0.000 0.544 41 G N 0.738 109.682 108.800 0.240 0.000 3.380 41 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.685 41 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.685 41 G C 0.364 175.360 174.900 0.161 0.000 1.136 41 G CA -0.082 45.155 45.100 0.228 0.000 1.011 41 G HN 0.262 nan 8.290 nan 0.000 0.471 42 L N 3.075 124.354 121.223 0.093 0.000 1.956 42 L HA -0.031 4.309 4.340 -0.000 0.000 0.216 42 L C 2.641 179.485 176.870 -0.044 0.000 1.073 42 L CA 3.224 58.084 54.840 0.033 0.000 0.762 42 L CB -0.626 41.442 42.059 0.014 0.000 0.889 42 L HN 0.906 nan 8.230 nan 0.000 0.433 43 L N -0.632 120.559 121.223 -0.054 0.000 2.056 43 L HA -0.113 4.226 4.340 -0.000 0.000 0.207 43 L C 2.452 179.240 176.870 -0.136 0.000 1.078 43 L CA 1.606 56.380 54.840 -0.109 0.000 0.749 43 L CB -0.868 41.144 42.059 -0.079 0.000 0.901 43 L HN 0.337 nan 8.230 nan 0.000 0.433 44 E N -0.802 119.319 120.200 -0.133 0.000 2.106 44 E HA -0.149 4.200 4.350 -0.000 0.000 0.192 44 E C 2.107 178.646 176.600 -0.102 0.000 0.984 44 E CA 1.615 57.865 56.400 -0.251 0.000 0.806 44 E CB -0.558 28.741 29.700 -0.667 0.000 0.750 44 E HN 0.493 nan 8.360 nan 0.000 0.458 45 T N 1.153 115.723 114.554 0.027 0.000 2.788 45 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 45 T C 1.896 176.588 174.700 -0.012 0.000 1.044 45 T CA 1.342 63.499 62.100 0.095 0.000 1.139 45 T CB -0.104 68.886 68.868 0.204 0.000 0.867 45 T HN 0.265 nan 8.240 nan 0.000 0.454 46 A N 1.721 124.425 122.820 -0.194 0.000 1.897 46 A HA -0.030 4.289 4.320 -0.000 0.000 0.215 46 A C 2.355 179.842 177.584 -0.162 0.000 1.181 46 A CA 1.015 52.757 52.037 -0.492 0.000 0.620 46 A CB -0.390 18.062 19.000 -0.913 0.000 0.821 46 A HN 0.383 nan 8.150 nan 0.000 0.443 47 R N -0.543 119.884 120.500 -0.122 0.000 2.120 47 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 47 R C 2.255 178.556 176.300 0.000 0.000 1.123 47 R CA 1.726 57.794 56.100 -0.053 0.000 0.975 47 R CB -0.582 29.664 30.300 -0.090 0.000 0.866 47 R HN 0.692 nan 8.270 nan 0.000 0.446 48 T N -1.606 112.953 114.554 0.008 0.000 3.113 48 T HA 0.096 4.445 4.350 -0.000 0.000 0.256 48 T C 0.942 175.684 174.700 0.070 0.000 1.131 48 T CA 0.377 62.501 62.100 0.039 0.000 1.074 48 T CB 0.153 69.054 68.868 0.054 0.000 0.944 48 T HN 0.055 nan 8.240 nan 0.000 0.516 49 L N 2.134 123.431 121.223 0.123 0.000 2.892 49 L HA 0.364 4.704 4.340 -0.000 0.000 0.251 49 L C -1.696 175.301 176.870 0.212 0.000 1.339 49 L CA -1.683 53.250 54.840 0.155 0.000 0.900 49 L CB 1.257 43.432 42.059 0.193 0.000 1.246 49 L HN 0.040 nan 8.230 nan 0.000 0.524 50 P HA -0.139 nan 4.420 nan 0.000 0.230 50 P C 0.740 178.060 177.300 0.033 0.000 1.158 50 P CA 0.913 64.087 63.100 0.124 0.000 0.769 50 P CB 0.421 32.170 31.700 0.081 0.000 0.807 51 D N 0.122 120.521 120.400 -0.002 0.000 2.347 51 D HA 0.077 4.716 4.640 -0.000 0.000 0.213 51 D C 0.662 176.891 176.300 -0.118 0.000 0.985 51 D CA -0.038 53.931 54.000 -0.052 0.000 0.879 51 D CB -0.289 40.481 40.800 -0.049 0.000 0.919 51 D HN 0.013 nan 8.370 nan 0.000 0.526 52 A N 0.373 123.088 122.820 -0.175 0.000 2.483 52 A HA 0.028 4.348 4.320 -0.000 0.000 0.238 52 A C 1.094 178.488 177.584 -0.316 0.000 1.070 52 A CA 0.076 51.924 52.037 -0.316 0.000 0.770 52 A CB 0.280 18.918 19.000 -0.605 0.000 1.008 52 A HN 0.216 nan 8.150 nan 0.000 0.497 53 D N 0.418 120.667 120.400 -0.251 0.000 2.277 53 D HA 0.273 4.912 4.640 -0.000 0.000 0.208 53 D C 0.684 176.978 176.300 -0.009 0.000 0.962 53 D CA 1.796 55.707 54.000 -0.147 0.000 0.865 53 D CB 0.218 40.820 40.800 -0.331 0.000 0.939 53 D HN 0.764 nan 8.370 nan 0.000 0.510 54 A N -0.387 122.340 122.820 -0.154 0.000 2.566 54 A HA 0.565 4.885 4.320 -0.000 0.000 0.290 54 A C -1.878 175.436 177.584 -0.450 0.000 1.071 54 A CA -0.728 51.191 52.037 -0.197 0.000 0.658 54 A CB 0.611 19.637 19.000 0.043 0.000 1.285 54 A HN -0.018 nan 8.150 nan 0.000 0.427 55 F N 0.211 120.154 119.950 -0.011 0.000 2.520 55 F HA 0.618 5.145 4.527 -0.000 0.000 0.322 55 F C 0.930 176.688 175.800 -0.071 0.000 1.103 55 F CA -0.255 57.727 58.000 -0.030 0.000 0.926 55 F CB 2.717 41.704 39.000 -0.022 0.000 1.154 55 F HN 0.802 nan 8.300 nan 0.000 0.453 56 G N 1.819 110.694 108.800 0.125 0.000 2.379 56 G HA2 0.617 4.576 3.960 -0.000 0.000 0.327 56 G HA3 0.617 4.576 3.960 -0.000 0.000 0.327 56 G C -1.180 173.742 174.900 0.036 0.000 1.145 56 G CA -0.708 44.402 45.100 0.017 0.000 0.905 56 G HN 0.680 nan 8.290 nan 0.000 0.466 57 V N -0.561 119.341 119.914 -0.020 0.000 3.102 57 V HA 0.866 4.986 4.120 -0.000 0.000 0.312 57 V C 0.820 176.901 176.094 -0.023 0.000 1.135 57 V CA -0.232 62.058 62.300 -0.016 0.000 1.022 57 V CB 1.438 33.218 31.823 -0.072 0.000 1.056 57 V HN 0.977 nan 8.190 nan 0.000 0.436 58 A N 1.255 124.078 122.820 0.006 0.000 1.943 58 A HA 0.480 4.800 4.320 -0.000 0.000 0.213 58 A C 1.231 178.835 177.584 0.034 0.000 1.181 58 A CA 0.700 52.755 52.037 0.031 0.000 0.653 58 A CB -0.087 18.945 19.000 0.054 0.000 0.833 58 A HN 0.858 nan 8.150 nan 0.000 0.451 59 R N -2.409 118.084 120.500 -0.011 0.000 2.774 59 R HA 0.495 4.835 4.340 -0.000 0.000 0.272 59 R C 0.234 176.462 176.300 -0.119 0.000 1.000 59 R CA -0.681 55.397 56.100 -0.037 0.000 0.906 59 R CB 1.286 31.642 30.300 0.095 0.000 1.227 59 R HN 0.124 nan 8.270 nan 0.000 0.468 60 L N 1.600 122.728 121.223 -0.158 0.000 2.249 60 L HA 0.181 4.521 4.340 -0.000 0.000 0.207 60 L C 1.068 177.889 176.870 -0.080 0.000 1.090 60 L CA 1.684 56.429 54.840 -0.157 0.000 0.802 60 L CB -0.313 41.670 42.059 -0.126 0.000 0.947 60 L HN 0.747 nan 8.230 nan 0.000 0.453 61 E N 0.049 120.235 120.200 -0.024 0.000 2.136 61 E HA -0.291 4.058 4.350 -0.000 0.000 0.202 61 E C 1.925 178.514 176.600 -0.019 0.000 1.019 61 E CA 2.111 58.514 56.400 0.005 0.000 0.819 61 E CB -0.190 29.527 29.700 0.028 0.000 0.739 61 E HN 0.621 nan 8.360 nan 0.000 0.458 62 E N 0.278 120.450 120.200 -0.046 0.000 2.106 62 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 62 E C 2.159 178.694 176.600 -0.107 0.000 0.984 62 E CA 0.813 57.180 56.400 -0.054 0.000 0.806 62 E CB -0.137 29.537 29.700 -0.043 0.000 0.750 62 E HN 0.301 nan 8.360 nan 0.000 0.458 63 A N 1.329 124.017 122.820 -0.220 0.000 1.898 63 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 63 A C 2.193 179.679 177.584 -0.163 0.000 1.181 63 A CA 0.968 52.746 52.037 -0.432 0.000 0.620 63 A CB -0.557 17.796 19.000 -1.078 0.000 0.819 63 A HN 0.118 nan 8.150 nan 0.000 0.442 64 L N -1.116 120.111 121.223 0.008 0.000 2.141 64 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 64 L C 2.788 179.717 176.870 0.098 0.000 1.094 64 L CA 1.056 56.006 54.840 0.184 0.000 0.763 64 L CB -0.382 41.768 42.059 0.152 0.000 0.908 64 L HN 0.344 nan 8.230 nan 0.000 0.437 65 R N -0.160 120.361 120.500 0.035 0.000 2.115 65 R HA -0.096 4.244 4.340 -0.000 0.000 0.230 65 R C 2.264 178.569 176.300 0.009 0.000 1.111 65 R CA 0.999 57.110 56.100 0.019 0.000 0.976 65 R CB -0.298 30.003 30.300 0.001 0.000 0.870 65 R HN 0.324 nan 8.270 nan 0.000 0.445 66 L N 0.278 121.498 121.223 -0.005 0.000 2.017 66 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 66 L C 2.627 179.522 176.870 0.042 0.000 1.073 66 L CA 1.213 56.038 54.840 -0.025 0.000 0.745 66 L CB -0.375 41.649 42.059 -0.059 0.000 0.894 66 L HN 0.121 nan 8.230 nan 0.000 0.432 67 R N 0.144 120.719 120.500 0.124 0.000 2.081 67 R HA -0.100 4.239 4.340 -0.000 0.000 0.235 67 R C 2.277 178.624 176.300 0.079 0.000 1.131 67 R CA 1.470 57.655 56.100 0.142 0.000 0.960 67 R CB -0.890 29.538 30.300 0.213 0.000 0.856 67 R HN 0.357 nan 8.270 nan 0.000 0.436 68 A N 0.371 123.230 122.820 0.066 0.000 1.972 68 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 68 A C 2.190 179.788 177.584 0.023 0.000 1.169 68 A CA 1.765 53.826 52.037 0.040 0.000 0.635 68 A CB -0.723 18.298 19.000 0.036 0.000 0.810 68 A HN 0.428 nan 8.150 nan 0.000 0.446 69 G N -2.400 106.407 108.800 0.013 0.000 2.985 69 G HA2 0.369 4.329 3.960 -0.000 0.000 0.209 69 G HA3 0.369 4.329 3.960 -0.000 0.000 0.209 69 G C 1.074 175.972 174.900 -0.003 0.000 1.165 69 G CA 0.577 45.674 45.100 -0.005 0.000 0.776 69 G HN 1.639 nan 8.290 nan 0.000 0.541 70 G N -0.521 108.288 108.800 0.016 0.000 2.179 70 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.220 70 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.220 70 G C 0.163 175.085 174.900 0.037 0.000 0.990 70 G CA -0.164 44.950 45.100 0.023 0.000 0.646 70 G HN 0.277 nan 8.290 nan 0.000 0.517 71 I N 2.539 123.130 120.570 0.034 0.000 2.533 71 I HA 0.348 4.517 4.170 -0.000 0.000 0.284 71 I C 1.726 177.919 176.117 0.127 0.000 1.109 71 I CA 1.335 62.675 61.300 0.066 0.000 1.412 71 I CB 1.452 39.449 38.000 -0.005 0.000 1.396 71 I HN 0.184 nan 8.210 nan 0.000 0.543 72 T N 3.198 117.836 114.554 0.141 0.000 2.990 72 T HA 0.121 4.471 4.350 -0.000 0.000 0.250 72 T C 0.894 175.691 174.700 0.162 0.000 1.041 72 T CA -0.336 61.846 62.100 0.137 0.000 1.010 72 T CB -0.062 68.861 68.868 0.092 0.000 1.003 72 T HN 0.388 nan 8.240 nan 0.000 0.499 73 K N 2.496 123.019 120.400 0.204 0.000 2.380 73 K HA 0.166 4.486 4.320 -0.000 0.000 0.267 73 K C -2.679 174.029 176.600 0.181 0.000 0.990 73 K CA -1.646 54.748 56.287 0.177 0.000 0.946 73 K CB 0.121 32.748 32.500 0.211 0.000 0.937 73 K HN -0.030 nan 8.250 nan 0.000 0.491 74 P HA -0.044 nan 4.420 nan 0.000 0.265 74 P C -1.331 175.968 177.300 -0.002 0.000 1.193 74 P CA -0.113 62.974 63.100 -0.022 0.000 0.765 74 P CB 0.658 32.207 31.700 -0.251 0.000 0.823 75 V N 4.750 124.697 119.914 0.056 0.000 2.448 75 V HA 0.288 4.407 4.120 -0.000 0.000 0.295 75 V C -0.102 175.950 176.094 -0.071 0.000 1.025 75 V CA -0.708 61.598 62.300 0.011 0.000 0.859 75 V CB 1.583 33.353 31.823 -0.088 0.000 0.988 75 V HN 0.340 nan 8.190 nan 0.000 0.431 76 L N 6.560 127.720 121.223 -0.105 0.000 2.264 76 L HA 0.521 4.861 4.340 -0.000 0.000 0.289 76 L C -0.323 176.487 176.870 -0.099 0.000 1.044 76 L CA 0.082 54.860 54.840 -0.103 0.000 0.807 76 L CB 0.975 42.885 42.059 -0.247 0.000 1.192 76 L HN 0.563 nan 8.230 nan 0.000 0.425 77 L N 7.140 128.337 121.223 -0.044 0.000 2.356 77 L HA 0.150 4.490 4.340 -0.000 0.000 0.282 77 L C 1.255 178.112 176.870 -0.021 0.000 1.132 77 L CA -0.215 54.592 54.840 -0.055 0.000 0.923 77 L CB 0.244 42.294 42.059 -0.014 0.000 1.278 77 L HN 0.789 nan 8.230 nan 0.000 0.436 78 L N 1.555 122.746 121.223 -0.054 0.000 2.189 78 L HA -0.192 4.147 4.340 -0.000 0.000 0.214 78 L C 1.646 178.524 176.870 0.013 0.000 1.097 78 L CA 1.507 56.314 54.840 -0.055 0.000 0.764 78 L CB -0.208 41.799 42.059 -0.087 0.000 0.900 78 L HN 0.663 nan 8.230 nan 0.000 0.436 79 E N -0.740 119.498 120.200 0.064 0.000 2.498 79 E HA 0.241 4.590 4.350 -0.000 0.000 0.203 79 E C 1.016 177.779 176.600 0.272 0.000 1.013 79 E CA 0.300 56.812 56.400 0.187 0.000 0.927 79 E CB 0.610 30.486 29.700 0.295 0.000 1.012 79 E HN 0.431 nan 8.360 nan 0.000 0.482 80 G N 1.981 110.851 108.800 0.118 0.000 2.642 80 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.231 80 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.231 80 G C -0.299 174.559 174.900 -0.070 0.000 1.338 80 G CA -0.193 44.945 45.100 0.062 0.000 0.883 80 G HN 0.269 nan 8.290 nan 0.000 0.570 81 F N -1.886 118.003 119.950 -0.101 0.000 2.458 81 F HA 0.805 5.332 4.527 -0.000 0.000 0.330 81 F C 0.695 176.498 175.800 0.004 0.000 1.082 81 F CA -1.443 56.431 58.000 -0.210 0.000 0.995 81 F CB 0.941 39.894 39.000 -0.079 0.000 1.170 81 F HN 0.196 nan 8.300 nan 0.000 0.478 82 F N -0.550 119.495 119.950 0.158 0.000 2.746 82 F HA 0.233 4.760 4.527 -0.000 0.000 0.297 82 F C 0.345 176.217 175.800 0.120 0.000 1.113 82 F CA -0.292 57.751 58.000 0.072 0.000 1.367 82 F CB -0.176 38.866 39.000 0.070 0.000 1.111 82 F HN 0.475 nan 8.300 nan 0.000 0.590 83 D N -0.418 120.209 120.400 0.378 0.000 2.863 83 D HA 0.445 5.085 4.640 -0.000 0.000 0.245 83 D C 0.859 177.356 176.300 0.328 0.000 1.211 83 D CA -0.079 54.092 54.000 0.285 0.000 0.888 83 D CB 2.323 43.239 40.800 0.193 0.000 1.483 83 D HN 0.003 nan 8.370 nan 0.000 0.533 84 A N 4.075 127.058 122.820 0.272 0.000 2.024 84 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 84 A C 1.768 179.378 177.584 0.044 0.000 1.164 84 A CA 1.136 53.296 52.037 0.206 0.000 0.643 84 A CB -0.176 18.918 19.000 0.157 0.000 0.806 84 A HN 0.629 nan 8.150 nan 0.000 0.451 85 R N -0.284 120.248 120.500 0.052 0.000 2.339 85 R HA -0.016 4.324 4.340 -0.000 0.000 0.199 85 R C 0.290 176.576 176.300 -0.023 0.000 1.018 85 R CA 0.821 56.925 56.100 0.008 0.000 1.036 85 R CB -0.037 30.279 30.300 0.026 0.000 0.899 85 R HN 0.434 nan 8.270 nan 0.000 0.473 86 D N 0.294 120.674 120.400 -0.032 0.000 2.350 86 D HA 0.018 4.657 4.640 -0.000 0.000 0.213 86 D C 1.675 177.868 176.300 -0.179 0.000 1.031 86 D CA 0.284 54.247 54.000 -0.061 0.000 0.861 86 D CB 0.318 41.123 40.800 0.009 0.000 0.926 86 D HN 0.191 nan 8.370 nan 0.000 0.520 87 L N 0.942 121.988 121.223 -0.295 0.000 2.083 87 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 87 L C -0.475 176.258 176.870 -0.228 0.000 1.083 87 L CA 1.379 55.993 54.840 -0.375 0.000 0.752 87 L CB -1.339 40.480 42.059 -0.401 0.000 0.899 87 L HN 0.011 nan 8.230 nan 0.000 0.433 88 P HA -0.139 nan 4.420 nan 0.000 0.217 88 P C 1.728 178.933 177.300 -0.158 0.000 1.150 88 P CA 1.360 64.376 63.100 -0.139 0.000 0.832 88 P CB 0.042 31.682 31.700 -0.101 0.000 0.787 89 T N -1.177 113.291 114.554 -0.143 0.000 2.777 89 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 89 T C 1.650 176.202 174.700 -0.247 0.000 1.040 89 T CA 0.867 62.872 62.100 -0.158 0.000 1.141 89 T CB -0.769 68.053 68.868 -0.077 0.000 0.868 89 T HN -0.057 nan 8.240 nan 0.000 0.444 90 I N 0.698 121.164 120.570 -0.174 0.000 2.286 90 I HA -0.140 4.030 4.170 -0.000 0.000 0.248 90 I C 2.725 178.698 176.117 -0.240 0.000 1.115 90 I CA 1.068 62.287 61.300 -0.136 0.000 1.392 90 I CB -0.368 37.615 38.000 -0.028 0.000 1.065 90 I HN 0.270 nan 8.210 nan 0.000 0.418 91 S N 0.743 116.303 115.700 -0.234 0.000 2.355 91 S HA -0.123 4.346 4.470 -0.000 0.000 0.222 91 S C 2.205 176.565 174.600 -0.401 0.000 1.031 91 S CA 1.343 59.403 58.200 -0.234 0.000 0.993 91 S CB -0.151 62.941 63.200 -0.179 0.000 0.859 91 S HN 0.448 nan 8.310 nan 0.000 0.453 92 A N 0.686 123.264 122.820 -0.404 0.000 2.014 92 A HA 0.033 4.353 4.320 -0.000 0.000 0.218 92 A C 2.127 179.298 177.584 -0.687 0.000 1.163 92 A CA 1.030 52.779 52.037 -0.479 0.000 0.652 92 A CB -0.405 18.425 19.000 -0.283 0.000 0.808 92 A HN 0.577 nan 8.150 nan 0.000 0.449 93 Q N -1.003 118.370 119.800 -0.711 0.000 2.425 93 Q HA 0.014 4.354 4.340 -0.000 0.000 0.204 93 Q C -0.643 174.977 176.000 -0.633 0.000 0.933 93 Q CA 0.504 55.809 55.803 -0.830 0.000 0.939 93 Q CB -0.194 27.580 28.738 -1.606 0.000 1.044 93 Q HN 0.893 nan 8.270 nan 0.000 0.513 94 H N -1.244 117.649 119.070 -0.295 0.000 2.819 94 H HA -0.157 4.399 4.556 -0.000 0.000 0.315 94 H C -0.900 174.544 175.328 0.194 0.000 1.242 94 H CA 0.186 56.221 56.048 -0.021 0.000 1.157 94 H CB -2.447 27.337 29.762 0.035 0.000 1.451 94 H HN 0.199 nan 8.280 nan 0.000 0.430 95 F N 0.498 120.549 119.950 0.169 0.000 2.394 95 F HA 0.274 4.801 4.527 -0.000 0.000 0.340 95 F C 1.428 177.406 175.800 0.297 0.000 1.105 95 F CA -0.824 57.278 58.000 0.170 0.000 1.124 95 F CB 0.819 39.865 39.000 0.077 0.000 1.145 95 F HN 0.270 nan 8.300 nan 0.000 0.505 96 H N 0.898 120.144 119.070 0.292 0.000 2.487 96 H HA 0.272 4.828 4.556 -0.000 0.000 0.333 96 H C -0.217 175.243 175.328 0.220 0.000 1.114 96 H CA -0.583 55.612 56.048 0.246 0.000 1.310 96 H CB 2.081 32.000 29.762 0.261 0.000 1.462 96 H HN 0.443 nan 8.280 nan 0.000 0.516 97 T N 1.047 115.819 114.554 0.363 0.000 2.900 97 T HA 0.552 4.902 4.350 -0.000 0.000 0.295 97 T C -0.688 174.198 174.700 0.310 0.000 1.044 97 T CA -0.610 61.670 62.100 0.299 0.000 0.995 97 T CB 1.089 70.161 68.868 0.341 0.000 1.072 97 T HN 0.722 nan 8.240 nan 0.000 0.473 98 A N 2.405 125.369 122.820 0.239 0.000 2.304 98 A HA 0.742 5.062 4.320 -0.000 0.000 0.271 98 A C -0.683 177.019 177.584 0.198 0.000 1.091 98 A CA -0.441 51.739 52.037 0.238 0.000 0.812 98 A CB 0.621 19.730 19.000 0.182 0.000 1.056 98 A HN 0.768 nan 8.150 nan 0.000 0.489 99 V N 3.128 123.157 119.914 0.192 0.000 2.488 99 V HA 0.326 4.446 4.120 -0.000 0.000 0.293 99 V C 0.336 176.503 176.094 0.121 0.000 1.027 99 V CA -0.313 62.064 62.300 0.128 0.000 0.862 99 V CB 1.066 33.042 31.823 0.256 0.000 1.008 99 V HN 1.117 nan 8.190 nan 0.000 0.428 100 H N 2.381 121.471 119.070 0.033 0.000 3.241 100 H HA 0.303 4.858 4.556 -0.000 0.000 0.260 100 H C 0.083 175.346 175.328 -0.109 0.000 1.084 100 H CA -0.029 55.959 56.048 -0.100 0.000 1.203 100 H CB 1.047 30.767 29.762 -0.070 0.000 1.524 100 H HN 0.643 nan 8.280 nan 0.000 0.521 101 N N 0.464 119.106 118.700 -0.097 0.000 2.571 101 N HA 0.018 4.757 4.740 -0.000 0.000 0.273 101 N C 0.613 176.277 175.510 0.256 0.000 1.340 101 N CA -0.588 52.518 53.050 0.093 0.000 0.789 101 N CB 1.876 40.382 38.487 0.032 0.000 1.514 101 N HN -0.065 nan 8.380 nan 0.000 0.499 102 E N 0.223 120.565 120.200 0.237 0.000 2.085 102 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 102 E C 0.812 177.438 176.600 0.043 0.000 0.994 102 E CA 1.768 58.257 56.400 0.148 0.000 0.801 102 E CB -0.106 29.659 29.700 0.108 0.000 0.743 102 E HN 0.680 nan 8.360 nan 0.000 0.453 103 E N 0.336 120.548 120.200 0.020 0.000 2.070 103 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 103 E C 2.230 178.825 176.600 -0.008 0.000 1.004 103 E CA 1.859 58.261 56.400 0.002 0.000 0.805 103 E CB -0.205 29.488 29.700 -0.011 0.000 0.744 103 E HN 0.426 nan 8.360 nan 0.000 0.451 104 Q N -0.263 119.464 119.800 -0.121 0.000 2.046 104 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 104 Q C 2.248 178.303 176.000 0.093 0.000 0.975 104 Q CA 1.050 56.747 55.803 -0.177 0.000 0.836 104 Q CB -0.210 28.188 28.738 -0.567 0.000 0.896 104 Q HN 0.200 nan 8.270 nan 0.000 0.428 105 L N 0.792 122.010 121.223 -0.007 0.000 2.017 105 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 105 L C 2.132 178.956 176.870 -0.076 0.000 1.073 105 L CA 2.229 56.994 54.840 -0.126 0.000 0.745 105 L CB -0.859 40.901 42.059 -0.499 0.000 0.894 105 L HN 0.129 nan 8.230 nan 0.000 0.432 106 A N -0.644 122.148 122.820 -0.047 0.000 2.014 106 A HA 0.047 4.366 4.320 -0.000 0.000 0.218 106 A C 2.405 180.002 177.584 0.021 0.000 1.163 106 A CA 1.292 53.316 52.037 -0.022 0.000 0.652 106 A CB -1.035 17.957 19.000 -0.014 0.000 0.808 106 A HN 0.572 nan 8.150 nan 0.000 0.449 107 A N -0.814 122.053 122.820 0.080 0.000 2.076 107 A HA 0.012 4.331 4.320 -0.000 0.000 0.220 107 A C 1.994 179.615 177.584 0.063 0.000 1.160 107 A CA 1.619 53.726 52.037 0.116 0.000 0.653 107 A CB -0.326 18.837 19.000 0.272 0.000 0.801 107 A HN 0.780 nan 8.150 nan 0.000 0.455 108 L N -2.146 119.112 121.223 0.058 0.000 2.781 108 L HA 0.233 4.573 4.340 -0.000 0.000 0.245 108 L C 1.693 178.549 176.870 -0.023 0.000 1.118 108 L CA 0.421 55.273 54.840 0.020 0.000 0.918 108 L CB 0.099 42.217 42.059 0.099 0.000 1.246 108 L HN 0.364 nan 8.230 nan 0.000 0.526 109 E N 0.603 120.784 120.200 -0.031 0.000 2.112 109 E HA -0.177 4.173 4.350 -0.000 0.000 0.190 109 E C 1.151 177.730 176.600 -0.035 0.000 0.979 109 E CA 1.361 57.733 56.400 -0.046 0.000 0.814 109 E CB 0.099 29.764 29.700 -0.058 0.000 0.762 109 E HN 0.628 nan 8.360 nan 0.000 0.460 110 E N 1.036 121.222 120.200 -0.023 0.000 2.481 110 E HA 0.266 4.616 4.350 -0.000 0.000 0.198 110 E C 0.496 177.083 176.600 -0.023 0.000 1.027 110 E CA -0.160 56.228 56.400 -0.020 0.000 0.900 110 E CB 0.437 30.130 29.700 -0.011 0.000 0.993 110 E HN 0.050 nan 8.360 nan 0.000 0.482 111 A N 1.917 124.720 122.820 -0.029 0.000 2.346 111 A HA 0.363 4.683 4.320 -0.000 0.000 0.252 111 A C 0.298 177.855 177.584 -0.045 0.000 1.089 111 A CA -0.065 51.947 52.037 -0.041 0.000 0.797 111 A CB 0.515 19.478 19.000 -0.063 0.000 1.047 111 A HN 0.274 nan 8.150 nan 0.000 0.494 112 S N 0.454 116.125 115.700 -0.048 0.000 2.733 112 S HA 0.648 5.118 4.470 -0.000 0.000 0.307 112 S C -0.787 173.780 174.600 -0.056 0.000 1.127 112 S CA -0.559 57.614 58.200 -0.046 0.000 1.097 112 S CB 0.088 63.267 63.200 -0.036 0.000 1.003 112 S HN 0.546 nan 8.310 nan 0.000 0.477 113 L N 2.214 123.401 121.223 -0.061 0.000 2.342 113 L HA 0.552 4.891 4.340 -0.000 0.000 0.271 113 L C 0.291 177.126 176.870 -0.059 0.000 1.008 113 L CA -1.002 53.796 54.840 -0.071 0.000 0.818 113 L CB 1.364 43.371 42.059 -0.087 0.000 1.296 113 L HN 0.493 nan 8.230 nan 0.000 0.427 114 D N 0.675 121.038 120.400 -0.061 0.000 2.348 114 D HA 0.002 4.641 4.640 -0.000 0.000 0.216 114 D C -0.088 176.188 176.300 -0.041 0.000 0.970 114 D CA 1.064 55.035 54.000 -0.048 0.000 0.889 114 D CB 0.465 41.236 40.800 -0.048 0.000 0.912 114 D HN 0.545 nan 8.370 nan 0.000 0.524 115 E N 0.013 120.183 120.200 -0.051 0.000 2.352 115 E HA 0.252 4.602 4.350 -0.000 0.000 0.280 115 E C -2.624 173.949 176.600 -0.045 0.000 0.930 115 E CA -1.739 54.641 56.400 -0.034 0.000 0.765 115 E CB 3.183 32.873 29.700 -0.016 0.000 1.219 115 E HN -0.114 nan 8.360 nan 0.000 0.434 116 P HA 0.078 nan 4.420 nan 0.000 0.274 116 P C -0.456 176.820 177.300 -0.040 0.000 1.231 116 P CA -0.427 62.645 63.100 -0.047 0.000 0.790 116 P CB 0.927 32.598 31.700 -0.048 0.000 0.951 117 V N -1.081 118.802 119.914 -0.051 0.000 2.581 117 V HA 0.557 4.676 4.120 -0.000 0.000 0.303 117 V C 0.208 176.264 176.094 -0.064 0.000 1.041 117 V CA -0.634 61.645 62.300 -0.035 0.000 0.907 117 V CB 1.163 32.969 31.823 -0.029 0.000 0.994 117 V HN 0.683 nan 8.190 nan 0.000 0.442 118 T N 3.703 118.186 114.554 -0.118 0.000 2.851 118 T HA 0.560 4.909 4.350 -0.000 0.000 0.298 118 T C -0.361 174.262 174.700 -0.128 0.000 0.977 118 T CA -0.087 61.870 62.100 -0.239 0.000 1.126 118 T CB 0.681 69.223 68.868 -0.543 0.000 0.916 118 T HN 0.865 nan 8.240 nan 0.000 0.529 119 V N 5.144 124.983 119.914 -0.125 0.000 2.815 119 V HA 0.588 4.708 4.120 -0.000 0.000 0.314 119 V C -0.998 175.051 176.094 -0.075 0.000 1.064 119 V CA -1.012 61.294 62.300 0.012 0.000 0.952 119 V CB 2.012 33.855 31.823 0.034 0.000 1.020 119 V HN 0.998 nan 8.190 nan 0.000 0.439 120 W N 4.178 125.502 121.300 0.039 0.000 2.391 120 W HA 0.604 5.263 4.660 -0.000 0.000 0.312 120 W C 0.279 176.854 176.519 0.094 0.000 1.003 120 W CA -0.362 57.010 57.345 0.046 0.000 1.375 120 W CB 1.524 30.992 29.460 0.013 0.000 1.253 120 W HN 0.481 nan 8.180 nan 0.000 0.416 124 D N 2.170 122.502 120.400 -0.113 0.000 2.365 124 D HA 0.381 5.021 4.640 -0.000 0.000 0.237 124 D C 0.745 177.005 176.300 -0.067 0.000 1.190 124 D CA 0.597 54.554 54.000 -0.071 0.000 0.867 124 D CB 1.123 41.911 40.800 -0.019 0.000 1.050 124 D HN 0.655 nan 8.370 nan 0.000 0.491 125 T N 0.477 114.991 114.554 -0.068 0.000 3.145 125 T HA 0.452 4.801 4.350 -0.000 0.000 0.255 125 T C 1.205 175.839 174.700 -0.109 0.000 1.039 125 T CA 0.091 62.170 62.100 -0.034 0.000 0.928 125 T CB 0.464 69.366 68.868 0.058 0.000 1.029 125 T HN 0.457 nan 8.240 nan 0.000 0.554 126 G N 1.118 109.737 108.800 -0.303 0.000 2.977 126 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.211 126 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.211 126 G C 0.647 175.165 174.900 -0.637 0.000 0.994 126 G CA 0.185 44.992 45.100 -0.489 0.000 0.795 126 G HN 0.374 nan 8.290 nan 0.000 0.518 127 M N 0.686 120.042 119.600 -0.408 0.000 2.349 127 M HA 0.208 4.688 4.480 -0.000 0.000 0.266 127 M C 1.051 177.240 176.300 -0.185 0.000 1.076 127 M CA 1.295 56.452 55.300 -0.238 0.000 1.126 127 M CB -0.241 32.294 32.600 -0.109 0.000 1.392 127 M HN 0.331 nan 8.290 nan 0.000 0.440 128 H N 0.049 119.100 119.070 -0.032 0.000 2.692 128 H HA -0.209 4.346 4.556 -0.001 0.000 0.316 128 H C 0.792 176.089 175.328 -0.051 0.000 1.176 128 H CA 1.281 57.304 56.048 -0.042 0.000 1.142 128 H CB -1.674 28.067 29.762 -0.035 0.000 1.475 128 H HN 0.581 nan 8.280 nan 0.000 0.423 129 R N -0.363 120.144 120.500 0.012 0.000 1.966 129 R HA 0.407 4.747 4.340 -0.000 0.000 0.191 129 R C 0.390 176.640 176.300 -0.084 0.000 1.542 129 R CA 0.117 56.198 56.100 -0.032 0.000 1.210 129 R CB 0.800 31.074 30.300 -0.043 0.000 1.039 129 R HN 0.139 nan 8.270 nan 0.000 0.476 130 L N -0.044 121.102 121.223 -0.129 0.000 2.303 130 L HA 0.626 4.965 4.340 -0.000 0.000 0.266 130 L C -0.467 176.317 176.870 -0.143 0.000 1.011 130 L CA -0.486 54.211 54.840 -0.239 0.000 0.818 130 L CB 2.185 43.994 42.059 -0.416 0.000 1.326 130 L HN 0.748 nan 8.230 nan 0.000 0.435 131 G N 0.251 108.982 108.800 -0.116 0.000 2.484 131 G HA2 0.000 3.960 3.960 -0.000 0.000 0.685 131 G HA3 0.000 3.960 3.960 -0.000 0.000 0.685 131 G C -1.367 173.456 174.900 -0.128 0.000 1.294 131 G CA -1.078 43.974 45.100 -0.080 0.000 0.879 131 G HN 0.369 nan 8.290 nan 0.000 0.646 132 V N 2.069 121.831 119.914 -0.254 0.000 2.530 132 V HA 0.384 4.503 4.120 -0.000 0.000 0.282 132 V C 1.364 177.334 176.094 -0.207 0.000 1.048 132 V CA -0.233 61.872 62.300 -0.325 0.000 0.997 132 V CB 1.051 32.502 31.823 -0.619 0.000 0.987 132 V HN 0.757 nan 8.190 nan 0.000 0.477 133 R N 4.877 125.306 120.500 -0.119 0.000 2.641 133 R HA 0.168 4.507 4.340 -0.000 0.000 0.269 133 R C -1.543 174.710 176.300 -0.077 0.000 1.074 133 R CA -1.291 54.773 56.100 -0.060 0.000 1.133 133 R CB 0.103 30.394 30.300 -0.015 0.000 1.029 133 R HN 0.439 nan 8.270 nan 0.000 0.488 134 P HA -0.260 nan 4.420 nan 0.000 0.217 134 P C 0.313 177.621 177.300 0.013 0.000 1.158 134 P CA 1.573 64.652 63.100 -0.034 0.000 0.887 134 P CB 0.166 31.872 31.700 0.009 0.000 0.792 135 E N -1.277 118.936 120.200 0.021 0.000 2.268 135 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 135 E C 1.623 178.257 176.600 0.056 0.000 0.995 135 E CA 0.840 57.263 56.400 0.040 0.000 0.836 135 E CB -0.212 29.506 29.700 0.030 0.000 0.763 135 E HN 0.351 nan 8.360 nan 0.000 0.491 136 Q N -0.825 119.002 119.800 0.046 0.000 2.317 136 Q HA 0.211 4.551 4.340 -0.000 0.000 0.220 136 Q C 1.647 177.724 176.000 0.128 0.000 0.873 136 Q CA 0.505 56.359 55.803 0.085 0.000 0.936 136 Q CB 0.500 29.278 28.738 0.067 0.000 1.105 136 Q HN 0.198 nan 8.270 nan 0.000 0.520 137 A N 0.701 123.555 122.820 0.057 0.000 1.902 137 A HA -0.243 4.076 4.320 -0.000 0.000 0.217 137 A C 1.992 179.822 177.584 0.409 0.000 1.181 137 A CA 1.833 53.905 52.037 0.058 0.000 0.623 137 A CB -0.286 18.526 19.000 -0.314 0.000 0.818 137 A HN 0.276 nan 8.150 nan 0.000 0.443 138 E N 0.001 120.439 120.200 0.395 0.000 2.047 138 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 138 E C 2.106 178.929 176.600 0.372 0.000 0.987 138 E CA 1.521 58.157 56.400 0.394 0.000 0.799 138 E CB -0.442 29.391 29.700 0.221 0.000 0.752 138 E HN 0.477 nan 8.360 nan 0.000 0.449 139 A N -0.285 122.704 122.820 0.283 0.000 1.898 139 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 139 A C 2.181 179.940 177.584 0.291 0.000 1.181 139 A CA 1.298 53.476 52.037 0.235 0.000 0.620 139 A CB -0.908 18.187 19.000 0.158 0.000 0.819 139 A HN 0.419 nan 8.150 nan 0.000 0.442 140 F N -0.846 119.209 119.950 0.174 0.000 2.102 140 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 140 F C 2.167 178.071 175.800 0.174 0.000 1.105 140 F CA 1.949 60.035 58.000 0.143 0.000 1.239 140 F CB -0.590 38.480 39.000 0.116 0.000 0.991 140 F HN 0.404 nan 8.300 nan 0.000 0.474 141 Y N -0.199 120.384 120.300 0.471 0.000 2.165 141 Y HA -0.311 4.239 4.550 -0.000 0.000 0.286 141 Y C 2.917 178.918 175.900 0.169 0.000 1.155 141 Y CA 2.384 60.699 58.100 0.359 0.000 1.164 141 Y CB -0.988 37.736 38.460 0.440 0.000 0.978 141 Y HN 0.243 nan 8.280 nan 0.000 0.513 142 H N 0.810 119.976 119.070 0.160 0.000 2.387 142 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 142 H C 2.113 177.377 175.328 -0.107 0.000 1.090 142 H CA 1.717 57.770 56.048 0.008 0.000 1.332 142 H CB 0.118 29.935 29.762 0.091 0.000 1.386 142 H HN 0.392 nan 8.280 nan 0.000 0.516 143 R N 0.006 120.484 120.500 -0.037 0.000 2.081 143 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 143 R C 2.740 178.897 176.300 -0.239 0.000 1.131 143 R CA 0.998 57.020 56.100 -0.130 0.000 0.960 143 R CB -0.156 30.048 30.300 -0.160 0.000 0.856 143 R HN 0.311 nan 8.270 nan 0.000 0.436 144 L N -0.082 120.974 121.223 -0.278 0.000 2.131 144 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 144 L C 2.257 178.936 176.870 -0.319 0.000 1.092 144 L CA 1.194 55.876 54.840 -0.263 0.000 0.759 144 L CB -0.456 41.477 42.059 -0.210 0.000 0.903 144 L HN 0.186 nan 8.230 nan 0.000 0.435 145 T N -1.232 113.046 114.554 -0.460 0.000 2.915 145 T HA -0.124 4.225 4.350 -0.000 0.000 0.269 145 T C 1.650 176.143 174.700 -0.345 0.000 1.071 145 T CA 0.935 62.760 62.100 -0.458 0.000 1.132 145 T CB 0.011 68.525 68.868 -0.591 0.000 0.878 145 T HN 0.259 nan 8.240 nan 0.000 0.479 146 Q N -0.200 119.401 119.800 -0.332 0.000 2.319 146 Q HA 0.221 4.561 4.340 -0.000 0.000 0.202 146 Q C 0.360 176.272 176.000 -0.148 0.000 0.896 146 Q CA -0.055 55.616 55.803 -0.221 0.000 0.942 146 Q CB -0.348 28.279 28.738 -0.186 0.000 1.083 146 Q HN 0.402 nan 8.270 nan 0.000 0.510 147 C N 2.439 121.646 119.300 -0.154 0.000 2.576 147 C HA 0.165 4.625 4.460 -0.000 0.000 0.401 147 C C 1.702 176.633 174.990 -0.098 0.000 1.314 147 C CA -0.498 58.451 59.018 -0.115 0.000 1.855 147 C CB 0.375 28.046 27.740 -0.115 0.000 2.537 147 C HN 0.299 nan 8.230 nan 0.000 0.578 148 K N 2.593 122.947 120.400 -0.077 0.000 2.217 148 K HA -0.034 4.286 4.320 -0.000 0.000 0.202 148 K C 1.265 177.826 176.600 -0.065 0.000 1.051 148 K CA 1.117 57.364 56.287 -0.066 0.000 0.952 148 K CB -0.127 32.341 32.500 -0.053 0.000 0.736 148 K HN 0.629 nan 8.250 nan 0.000 0.453 149 N N 0.780 119.440 118.700 -0.067 0.000 2.467 149 N HA -0.029 4.711 4.740 -0.000 0.000 0.184 149 N C -0.068 175.400 175.510 -0.069 0.000 1.106 149 N CA 0.211 53.222 53.050 -0.066 0.000 0.892 149 N CB 0.466 38.914 38.487 -0.066 0.000 0.969 149 N HN -0.099 nan 8.380 nan 0.000 0.454 150 V N 1.508 121.375 119.914 -0.079 0.000 2.394 150 V HA 0.231 4.350 4.120 -0.000 0.000 0.282 150 V C 0.614 176.649 176.094 -0.097 0.000 1.031 150 V CA -0.884 61.365 62.300 -0.086 0.000 0.881 150 V CB 2.032 33.794 31.823 -0.102 0.000 0.982 150 V HN 0.010 nan 8.190 nan 0.000 0.451 151 R N 3.990 124.431 120.500 -0.098 0.000 2.347 151 R HA 0.216 4.556 4.340 -0.000 0.000 0.304 151 R C -0.231 175.995 176.300 -0.125 0.000 1.072 151 R CA -0.400 55.640 56.100 -0.100 0.000 0.980 151 R CB 0.451 30.691 30.300 -0.100 0.000 0.986 151 R HN 0.642 nan 8.270 nan 0.000 0.448 152 Q N 4.405 124.138 119.800 -0.111 0.000 2.259 152 Q HA 0.334 4.673 4.340 -0.000 0.000 0.246 152 Q C -1.795 174.142 176.000 -0.104 0.000 0.920 152 Q CA -1.652 54.080 55.803 -0.118 0.000 0.895 152 Q CB 1.050 29.726 28.738 -0.104 0.000 1.220 152 Q HN 0.614 nan 8.270 nan 0.000 0.439 153 P HA 0.223 nan 4.420 nan 0.000 0.278 153 P C -0.527 176.671 177.300 -0.170 0.000 1.258 153 P CA -0.563 62.467 63.100 -0.118 0.000 0.811 153 P CB 0.796 32.449 31.700 -0.079 0.000 1.063 154 V N -0.152 119.665 119.914 -0.161 0.000 2.583 154 V HA 0.340 4.459 4.120 -0.000 0.000 0.287 154 V C 0.052 176.041 176.094 -0.174 0.000 1.051 154 V CA -0.686 61.505 62.300 -0.181 0.000 1.010 154 V CB 0.281 31.996 31.823 -0.180 0.000 0.988 154 V HN 0.437 nan 8.190 nan 0.000 0.478 155 N N 4.209 122.667 118.700 -0.402 0.000 2.458 155 N HA 0.599 5.338 4.740 -0.000 0.000 0.271 155 N C -0.679 174.726 175.510 -0.175 0.000 1.210 155 N CA -0.326 52.362 53.050 -0.604 0.000 0.978 155 N CB 1.907 39.302 38.487 -1.821 0.000 1.206 155 N HN 0.736 nan 8.380 nan 0.000 0.536 156 I N 0.646 121.215 120.570 -0.001 0.000 2.466 156 I HA 0.332 4.502 4.170 -0.000 0.000 0.289 156 I C -0.504 175.939 176.117 0.542 0.000 1.026 156 I CA -0.835 60.624 61.300 0.265 0.000 1.078 156 I CB 2.107 40.183 38.000 0.127 0.000 1.249 156 I HN 0.018 nan 8.210 nan 0.000 0.429 157 V N 5.103 125.327 119.914 0.516 0.000 2.876 157 V HA 0.785 4.904 4.120 -0.000 0.000 0.312 157 V C -0.748 175.501 176.094 0.260 0.000 1.085 157 V CA 0.041 62.593 62.300 0.419 0.000 0.945 157 V CB 2.412 34.397 31.823 0.271 0.000 1.017 157 V HN 0.837 nan 8.190 nan 0.000 0.428 158 S N 2.964 118.712 115.700 0.081 0.000 2.688 158 S HA 0.743 5.213 4.470 -0.000 0.000 0.275 158 S C -1.946 172.563 174.600 -0.151 0.000 1.175 158 S CA -0.435 57.743 58.200 -0.038 0.000 0.818 158 S CB 1.744 64.918 63.200 -0.044 0.000 1.157 158 S HN 1.103 nan 8.310 nan 0.000 0.482 159 H N -0.090 118.803 119.070 -0.296 0.000 2.974 159 H HA 0.554 5.110 4.556 -0.000 0.000 0.366 159 H C -1.545 173.632 175.328 -0.251 0.000 1.155 159 H CA -0.539 55.314 56.048 -0.325 0.000 1.186 159 H CB 0.790 30.450 29.762 -0.170 0.000 1.799 159 H HN 0.499 nan 8.280 nan 0.000 0.541 160 F N 2.246 121.829 119.950 -0.612 0.000 2.389 160 F HA 0.385 4.912 4.527 -0.000 0.000 0.337 160 F C 1.258 176.773 175.800 -0.476 0.000 1.112 160 F CA 0.088 57.792 58.000 -0.494 0.000 1.192 160 F CB 1.391 40.116 39.000 -0.459 0.000 1.185 160 F HN 0.728 nan 8.300 nan 0.000 0.552 161 A N 2.693 125.462 122.820 -0.085 0.000 2.140 161 A HA 0.232 4.551 4.320 -0.000 0.000 0.209 161 A C 1.028 178.552 177.584 -0.101 0.000 1.181 161 A CA 0.118 52.093 52.037 -0.104 0.000 0.824 161 A CB 0.153 19.097 19.000 -0.094 0.000 0.879 161 A HN 0.815 nan 8.150 nan 0.000 0.480 162 R N -1.193 119.228 120.500 -0.133 0.000 2.579 162 R HA 0.312 4.652 4.340 -0.000 0.000 0.386 162 R C 0.840 177.041 176.300 -0.164 0.000 1.065 162 R CA 0.477 56.506 56.100 -0.119 0.000 1.143 162 R CB 0.357 30.595 30.300 -0.104 0.000 1.357 162 R HN 0.257 nan 8.270 nan 0.000 0.644 163 A N 1.365 124.064 122.820 -0.202 0.000 2.125 163 A HA -0.170 4.149 4.320 -0.000 0.000 0.219 163 A C 1.533 179.224 177.584 0.178 0.000 1.156 163 A CA 1.547 53.450 52.037 -0.224 0.000 0.671 163 A CB -0.132 18.766 19.000 -0.171 0.000 0.794 163 A HN 0.438 nan 8.150 nan 0.000 0.459 164 D N -0.155 120.307 120.400 0.105 0.000 2.340 164 D HA -0.028 4.612 4.640 -0.000 0.000 0.220 164 D C -0.011 176.359 176.300 0.117 0.000 1.039 164 D CA 0.265 54.344 54.000 0.131 0.000 0.866 164 D CB -0.234 40.626 40.800 0.100 0.000 0.913 164 D HN 0.542 nan 8.370 nan 0.000 0.523 165 E N 1.657 121.923 120.200 0.111 0.000 2.751 165 E HA 0.148 4.497 4.350 -0.000 0.000 0.219 165 E C -1.778 174.919 176.600 0.163 0.000 1.060 165 E CA -1.691 54.764 56.400 0.093 0.000 0.893 165 E CB 1.603 31.326 29.700 0.039 0.000 1.300 165 E HN 0.094 nan 8.360 nan 0.000 0.433 166 P HA -0.169 nan 4.420 nan 0.000 0.222 166 P C 0.761 178.146 177.300 0.142 0.000 1.147 166 P CA 0.936 64.171 63.100 0.226 0.000 0.790 166 P CB 0.384 32.069 31.700 -0.025 0.000 0.780 167 K N -0.318 120.130 120.400 0.081 0.000 2.217 167 K HA -0.018 4.302 4.320 -0.000 0.000 0.202 167 K C 1.372 178.005 176.600 0.054 0.000 1.051 167 K CA 0.733 57.051 56.287 0.051 0.000 0.952 167 K CB -0.403 32.114 32.500 0.029 0.000 0.736 167 K HN 0.352 nan 8.250 nan 0.000 0.453 168 C N -0.996 118.337 119.300 0.054 0.000 2.382 168 C HA 0.581 5.040 4.460 -0.000 0.000 0.363 168 C C 1.478 176.487 174.990 0.032 0.000 1.213 168 C CA -1.064 57.972 59.018 0.029 0.000 2.363 168 C CB 0.718 28.462 27.740 0.006 0.000 2.397 168 C HN 0.398 nan 8.230 nan 0.000 0.573 169 G N 0.609 109.415 108.800 0.011 0.000 3.379 169 G HA2 0.403 4.363 3.960 -0.000 0.000 0.253 169 G HA3 0.403 4.363 3.960 -0.000 0.000 0.253 169 G C 1.109 175.968 174.900 -0.067 0.000 1.262 169 G CA 0.586 45.684 45.100 -0.003 0.000 0.959 169 G HN 1.291 nan 8.290 nan 0.000 0.524 170 A N 0.485 123.242 122.820 -0.104 0.000 1.858 170 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 170 A C 2.509 179.928 177.584 -0.274 0.000 1.190 170 A CA 2.292 54.238 52.037 -0.152 0.000 0.617 170 A CB -0.790 18.124 19.000 -0.144 0.000 0.827 170 A HN 0.280 nan 8.150 nan 0.000 0.443 171 T N 0.106 114.353 114.554 -0.512 0.000 2.720 171 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 171 T C 1.768 176.077 174.700 -0.651 0.000 1.037 171 T CA 1.881 63.398 62.100 -0.970 0.000 1.144 171 T CB -0.304 67.376 68.868 -1.980 0.000 0.864 171 T HN 0.615 nan 8.240 nan 0.000 0.444 172 E N 0.990 120.954 120.200 -0.394 0.000 2.153 172 E HA -0.048 4.302 4.350 -0.000 0.000 0.194 172 E C 2.239 178.810 176.600 -0.049 0.000 0.988 172 E CA 0.905 57.228 56.400 -0.128 0.000 0.811 172 E CB -0.093 29.610 29.700 0.005 0.000 0.746 172 E HN 0.439 nan 8.360 nan 0.000 0.466 173 K N 0.375 120.736 120.400 -0.064 0.000 2.097 173 K HA -0.097 4.222 4.320 -0.000 0.000 0.205 173 K C 2.191 178.803 176.600 0.019 0.000 1.050 173 K CA 1.058 57.338 56.287 -0.011 0.000 0.938 173 K CB -0.033 32.454 32.500 -0.021 0.000 0.718 173 K HN 0.171 nan 8.250 nan 0.000 0.442 174 Q N 0.300 120.100 119.800 -0.001 0.000 2.119 174 Q HA -0.091 4.248 4.340 -0.000 0.000 0.201 174 Q C 2.004 178.119 176.000 0.192 0.000 0.972 174 Q CA 0.745 56.598 55.803 0.084 0.000 0.847 174 Q CB 0.035 28.854 28.738 0.135 0.000 0.903 174 Q HN 0.175 nan 8.270 nan 0.000 0.433 175 L N 0.428 121.762 121.223 0.186 0.000 2.056 175 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 175 L C 2.364 179.401 176.870 0.278 0.000 1.078 175 L CA 1.721 56.738 54.840 0.296 0.000 0.749 175 L CB -1.594 40.605 42.059 0.233 0.000 0.901 175 L HN 0.150 nan 8.230 nan 0.000 0.433 176 A N -0.072 122.850 122.820 0.171 0.000 1.883 176 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 176 A C 2.310 179.981 177.584 0.144 0.000 1.186 176 A CA 1.774 53.895 52.037 0.140 0.000 0.624 176 A CB -0.602 18.452 19.000 0.090 0.000 0.822 176 A HN 0.380 nan 8.150 nan 0.000 0.444 177 I N -2.184 118.472 120.570 0.143 0.000 2.252 177 I HA -0.199 3.970 4.170 -0.000 0.000 0.245 177 I C 2.342 178.566 176.117 0.179 0.000 1.102 177 I CA 1.346 62.724 61.300 0.131 0.000 1.385 177 I CB -0.327 37.732 38.000 0.098 0.000 1.064 177 I HN 0.411 nan 8.210 nan 0.000 0.414 178 F N 2.253 122.243 119.950 0.066 0.000 2.075 178 F HA -0.238 4.289 4.527 -0.000 0.000 0.297 178 F C 2.426 178.262 175.800 0.060 0.000 1.113 178 F CA 1.736 59.770 58.000 0.056 0.000 1.218 178 F CB -0.453 38.578 39.000 0.052 0.000 0.984 178 F HN 0.074 nan 8.300 nan 0.000 0.472 179 N N -0.268 118.538 118.700 0.178 0.000 2.120 179 N HA -0.156 4.584 4.740 -0.000 0.000 0.188 179 N C 1.803 177.305 175.510 -0.014 0.000 1.024 179 N CA 2.036 55.123 53.050 0.062 0.000 0.852 179 N CB -0.874 37.724 38.487 0.184 0.000 1.003 179 N HN 0.310 nan 8.380 nan 0.000 0.424 180 T N 0.801 115.377 114.554 0.037 0.000 2.746 180 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 180 T C 1.671 176.359 174.700 -0.019 0.000 1.039 180 T CA 0.823 62.935 62.100 0.019 0.000 1.142 180 T CB -0.416 68.486 68.868 0.056 0.000 0.866 180 T HN 0.256 nan 8.240 nan 0.000 0.444 181 F N 0.923 120.774 119.950 -0.165 0.000 2.206 181 F HA -0.059 4.468 4.527 -0.000 0.000 0.298 181 F C 2.116 177.721 175.800 -0.325 0.000 1.090 181 F CA 0.611 58.475 58.000 -0.227 0.000 1.323 181 F CB -0.261 38.604 39.000 -0.224 0.000 1.028 181 F HN 0.133 nan 8.300 nan 0.000 0.492 182 C N 0.951 120.023 119.300 -0.382 0.000 2.481 182 C HA 0.006 4.465 4.460 -0.000 0.000 0.275 182 C C 0.810 175.577 174.990 -0.372 0.000 1.419 182 C CA -0.254 58.472 59.018 -0.487 0.000 1.773 182 C CB -1.691 25.732 27.740 -0.528 0.000 1.862 182 C HN 0.310 nan 8.230 nan 0.000 0.530 183 E N 0.540 120.576 120.200 -0.273 0.000 2.558 183 E HA 0.280 4.629 4.350 -0.000 0.000 0.255 183 E C 1.299 177.772 176.600 -0.213 0.000 0.968 183 E CA 0.856 57.146 56.400 -0.183 0.000 0.939 183 E CB 0.022 29.647 29.700 -0.124 0.000 0.921 183 E HN 0.561 nan 8.360 nan 0.000 0.477 184 G N 3.225 111.935 108.800 -0.151 0.000 2.189 184 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.267 184 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.267 184 G C 0.029 174.832 174.900 -0.161 0.000 0.975 184 G CA 0.413 45.433 45.100 -0.133 0.000 0.644 184 G HN 0.436 nan 8.290 nan 0.000 0.537 185 K N 1.169 121.434 120.400 -0.226 0.000 2.138 185 K HA 0.541 4.861 4.320 -0.000 0.000 0.263 185 K C -1.703 174.820 176.600 -0.129 0.000 0.965 185 K CA -1.471 54.681 56.287 -0.224 0.000 0.868 185 K CB 2.121 34.356 32.500 -0.442 0.000 1.083 185 K HN 0.170 nan 8.250 nan 0.000 0.443 186 P HA 0.323 nan 4.420 nan 0.000 0.306 186 P C -0.300 176.971 177.300 -0.047 0.000 1.309 186 P CA -0.279 62.797 63.100 -0.040 0.000 0.759 186 P CB 0.454 32.140 31.700 -0.022 0.000 1.314 187 G N -0.428 108.340 108.800 -0.053 0.000 2.767 187 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.686 187 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.686 187 G C -0.493 174.343 174.900 -0.106 0.000 1.213 187 G CA -0.781 44.253 45.100 -0.110 0.000 0.803 187 G HN 0.613 nan 8.290 nan 0.000 0.603 188 Q N 0.892 120.593 119.800 -0.166 0.000 2.386 188 Q HA 0.225 4.564 4.340 -0.000 0.000 0.282 188 Q C 0.980 176.999 176.000 0.031 0.000 1.050 188 Q CA 0.594 56.386 55.803 -0.018 0.000 0.918 188 Q CB 0.607 29.319 28.738 -0.042 0.000 1.266 188 Q HN 0.632 nan 8.270 nan 0.000 0.423 189 R N 0.524 121.207 120.500 0.304 0.000 2.562 189 R HA 0.587 4.927 4.340 -0.000 0.000 0.298 189 R C -0.632 176.038 176.300 0.617 0.000 0.961 189 R CA -0.491 55.834 56.100 0.375 0.000 0.881 189 R CB 1.910 32.251 30.300 0.068 0.000 1.159 189 R HN 0.509 nan 8.270 nan 0.000 0.450 190 S N 2.693 118.781 115.700 0.647 0.000 2.649 190 S HA 0.405 4.875 4.470 -0.000 0.000 0.274 190 S C -0.518 174.109 174.600 0.046 0.000 1.176 190 S CA -0.584 57.846 58.200 0.384 0.000 0.988 190 S CB 1.124 64.463 63.200 0.232 0.000 1.071 190 S HN 0.783 nan 8.310 nan 0.000 0.478 191 I N 3.302 123.770 120.570 -0.169 0.000 4.916 191 I HA 0.507 4.676 4.170 -0.000 0.000 0.335 191 I C 0.355 176.118 176.117 -0.590 0.000 1.274 191 I CA -0.004 60.944 61.300 -0.586 0.000 1.365 191 I CB 0.418 37.694 38.000 -1.208 0.000 1.395 191 I HN 0.679 nan 8.210 nan 0.000 0.485 192 A N 1.514 124.190 122.820 -0.240 0.000 2.309 192 A HA 0.824 5.144 4.320 -0.000 0.000 0.298 192 A C 0.040 177.638 177.584 0.024 0.000 1.165 192 A CA 0.280 52.264 52.037 -0.088 0.000 0.821 192 A CB 0.757 19.850 19.000 0.156 0.000 1.102 192 A HN 0.368 nan 8.150 nan 0.000 0.500 193 A N 1.272 124.146 122.820 0.089 0.000 3.184 193 A HA 0.691 5.011 4.320 -0.000 0.000 0.206 193 A C 1.527 179.176 177.584 0.109 0.000 1.262 193 A CA 0.474 52.587 52.037 0.126 0.000 0.891 193 A CB -0.479 18.686 19.000 0.275 0.000 1.526 193 A HN 0.867 nan 8.150 nan 0.000 0.508 194 S N -0.229 115.532 115.700 0.101 0.000 2.380 194 S HA -0.197 4.272 4.470 -0.000 0.000 0.229 194 S C 1.996 176.622 174.600 0.044 0.000 1.050 194 S CA 2.249 60.470 58.200 0.035 0.000 1.100 194 S CB -0.911 62.309 63.200 0.034 0.000 0.984 194 S HN 1.087 nan 8.310 nan 0.000 0.434 195 G N 0.837 109.710 108.800 0.121 0.000 2.440 195 G HA2 -0.074 3.885 3.960 -0.000 0.000 0.218 195 G HA3 -0.074 3.885 3.960 -0.000 0.000 0.218 195 G C 1.440 176.522 174.900 0.305 0.000 1.154 195 G CA 1.070 46.267 45.100 0.161 0.000 0.767 195 G HN 0.593 nan 8.290 nan 0.000 0.552 196 G N 0.949 109.969 108.800 0.367 0.000 2.418 196 G HA2 -0.144 3.815 3.960 -0.000 0.000 0.217 196 G HA3 -0.144 3.815 3.960 -0.000 0.000 0.217 196 G C 1.774 176.938 174.900 0.440 0.000 1.158 196 G CA 0.808 46.224 45.100 0.527 0.000 0.771 196 G HN 0.445 nan 8.290 nan 0.000 0.545 197 I N 0.399 121.120 120.570 0.252 0.000 2.099 197 I HA -0.180 3.990 4.170 -0.000 0.000 0.239 197 I C 2.759 179.002 176.117 0.210 0.000 1.066 197 I CA 0.981 62.370 61.300 0.149 0.000 1.324 197 I CB -0.297 37.669 38.000 -0.057 0.000 1.037 197 I HN 0.128 nan 8.210 nan 0.000 0.401 198 L N -0.037 121.214 121.223 0.047 0.000 2.056 198 L HA -0.167 4.172 4.340 -0.000 0.000 0.207 198 L C 2.230 179.101 176.870 0.002 0.000 1.078 198 L CA 1.314 56.124 54.840 -0.051 0.000 0.749 198 L CB -0.384 41.434 42.059 -0.402 0.000 0.901 198 L HN 0.284 nan 8.230 nan 0.000 0.433 199 L N -2.856 118.365 121.223 -0.004 0.000 2.556 199 L HA 0.065 4.404 4.340 -0.000 0.000 0.226 199 L C -0.167 176.346 176.870 -0.595 0.000 1.089 199 L CA -0.092 54.582 54.840 -0.277 0.000 0.864 199 L CB 0.132 41.977 42.059 -0.357 0.000 1.067 199 L HN 0.243 nan 8.230 nan 0.000 0.477 200 W N 1.124 122.416 121.300 -0.013 0.000 2.433 200 W HA 0.368 5.028 4.660 -0.001 0.000 0.288 200 W C -1.826 174.573 176.519 -0.200 0.000 0.986 200 W CA -1.731 55.568 57.345 -0.076 0.000 1.680 200 W CB 0.194 29.611 29.460 -0.071 0.000 1.615 200 W HN -0.224 nan 8.180 nan 0.000 0.416 201 P HA -0.193 nan 4.420 nan 0.000 0.228 201 P C 0.655 177.605 177.300 -0.584 0.000 1.151 201 P CA 1.423 64.075 63.100 -0.747 0.000 0.770 201 P CB 0.472 31.934 31.700 -0.397 0.000 0.786 202 Q N -0.031 119.621 119.800 -0.247 0.000 2.444 202 Q HA 0.030 4.369 4.340 -0.000 0.000 0.206 202 Q C 1.785 177.558 176.000 -0.378 0.000 0.948 202 Q CA 0.904 56.581 55.803 -0.209 0.000 0.946 202 Q CB -0.383 28.342 28.738 -0.021 0.000 1.027 202 Q HN 0.321 nan 8.270 nan 0.000 0.513 203 S N -2.101 113.441 115.700 -0.263 0.000 2.578 203 S HA 0.137 4.607 4.470 -0.000 0.000 0.231 203 S C 0.958 175.455 174.600 -0.172 0.000 0.994 203 S CA -0.434 57.623 58.200 -0.238 0.000 0.956 203 S CB -0.207 63.198 63.200 0.342 0.000 0.870 203 S HN 0.411 nan 8.310 nan 0.000 0.494 204 H N 0.784 119.676 119.070 -0.296 0.000 2.326 204 H HA 0.077 4.632 4.556 -0.000 0.000 0.301 204 H C 0.497 175.866 175.328 0.068 0.000 1.081 204 H CA 0.945 56.946 56.048 -0.077 0.000 1.334 204 H CB -0.195 29.537 29.762 -0.050 0.000 1.385 204 H HN 0.369 nan 8.280 nan 0.000 0.504 205 F N 0.090 120.215 119.950 0.292 0.000 1.897 205 F HA -0.456 4.070 4.527 -0.000 0.000 0.219 205 F C 1.726 177.676 175.800 0.249 0.000 0.336 205 F CA 1.104 59.264 58.000 0.267 0.000 0.735 205 F CB -0.733 38.463 39.000 0.328 0.000 2.719 205 F HN 0.213 nan 8.300 nan 0.000 0.502 206 D N -1.832 118.913 120.400 0.575 0.000 2.162 206 D HA -0.011 4.628 4.640 -0.000 0.000 0.205 206 D C -0.154 176.381 176.300 0.392 0.000 0.964 206 D CA 1.568 55.844 54.000 0.461 0.000 0.847 206 D CB 0.030 41.188 40.800 0.597 0.000 0.988 206 D HN 0.203 nan 8.370 nan 0.000 0.480 207 W N 0.853 122.318 121.300 0.276 0.000 2.998 207 W HA 0.394 5.054 4.660 -0.001 0.000 0.335 207 W C -0.547 176.020 176.519 0.081 0.000 1.110 207 W CA -0.954 56.485 57.345 0.157 0.000 1.230 207 W CB 1.274 30.832 29.460 0.164 0.000 1.405 207 W HN -0.351 nan 8.180 nan 0.000 0.493 208 V N 0.522 120.554 119.914 0.197 0.000 2.815 208 V HA 0.713 4.832 4.120 -0.000 0.000 0.314 208 V C -0.245 175.878 176.094 0.047 0.000 1.064 208 V CA -1.684 60.663 62.300 0.078 0.000 0.952 208 V CB 2.038 33.832 31.823 -0.049 0.000 1.020 208 V HN 0.587 nan 8.190 nan 0.000 0.439 209 R N 2.727 123.234 120.500 0.013 0.000 2.664 209 R HA 0.381 4.721 4.340 -0.000 0.000 0.281 209 R C -2.770 173.519 176.300 -0.017 0.000 1.383 209 R CA -1.559 54.534 56.100 -0.012 0.000 1.563 209 R CB 1.018 31.294 30.300 -0.039 0.000 1.131 209 R HN 0.608 nan 8.270 nan 0.000 0.599 210 P HA 0.026 nan 4.420 nan 0.000 0.271 210 P C -0.190 177.031 177.300 -0.131 0.000 1.226 210 P CA 0.342 63.386 63.100 -0.093 0.000 0.765 210 P CB 1.883 33.497 31.700 -0.144 0.000 0.835 211 G N 2.726 111.458 108.800 -0.114 0.000 2.474 211 G HA2 0.025 3.985 3.960 -0.000 0.000 0.205 211 G HA3 0.025 3.985 3.960 -0.000 0.000 0.205 211 G C 1.038 175.740 174.900 -0.331 0.000 1.934 211 G CA -0.051 44.906 45.100 -0.239 0.000 0.713 211 G HN 0.414 nan 8.290 nan 0.000 0.773 212 I N 0.815 121.308 120.570 -0.129 0.000 2.113 212 I HA -0.188 3.981 4.170 -0.000 0.000 0.242 212 I C 2.436 178.502 176.117 -0.085 0.000 1.064 212 I CA 1.347 62.593 61.300 -0.089 0.000 1.320 212 I CB -0.123 37.675 38.000 -0.337 0.000 1.028 212 I HN 0.208 nan 8.210 nan 0.000 0.406 213 I N -0.073 120.423 120.570 -0.123 0.000 2.567 213 I HA -0.231 3.938 4.170 -0.000 0.000 0.257 213 I C 2.120 178.130 176.117 -0.180 0.000 1.184 213 I CA 1.278 62.503 61.300 -0.125 0.000 1.451 213 I CB -0.515 37.396 38.000 -0.149 0.000 1.089 213 I HN 0.321 nan 8.210 nan 0.000 0.441 214 L N -0.616 120.408 121.223 -0.332 0.000 2.191 214 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 214 L C 1.354 177.842 176.870 -0.637 0.000 1.103 214 L CA 1.562 56.090 54.840 -0.520 0.000 0.769 214 L CB -0.388 41.217 42.059 -0.757 0.000 0.908 214 L HN 0.296 nan 8.230 nan 0.000 0.438 215 Y N -0.562 119.599 120.300 -0.231 0.000 2.470 215 Y HA 0.259 4.808 4.550 -0.000 0.000 0.284 215 Y C 1.603 177.464 175.900 -0.065 0.000 1.188 215 Y CA 0.373 58.330 58.100 -0.239 0.000 1.269 215 Y CB -0.025 38.164 38.460 -0.453 0.000 1.094 215 Y HN 0.301 nan 8.280 nan 0.000 0.518 216 G N 0.490 109.301 108.800 0.020 0.000 2.160 216 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.251 216 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.251 216 G C -0.401 174.547 174.900 0.081 0.000 1.008 216 G CA 0.252 45.392 45.100 0.066 0.000 0.724 216 G HN 0.172 nan 8.290 nan 0.000 0.514 217 V N 0.116 120.064 119.914 0.056 0.000 2.555 217 V HA 0.738 4.858 4.120 -0.000 0.000 0.302 217 V C 0.796 176.889 176.094 -0.001 0.000 1.038 217 V CA -0.156 62.160 62.300 0.026 0.000 0.887 217 V CB 1.842 33.663 31.823 -0.004 0.000 0.991 217 V HN 0.509 nan 8.190 nan 0.000 0.434 218 S N 5.003 120.726 115.700 0.039 0.000 2.564 218 S HA 0.307 4.777 4.470 -0.000 0.000 0.278 218 S C -1.266 173.340 174.600 0.010 0.000 1.333 218 S CA -0.931 57.309 58.200 0.068 0.000 1.048 218 S CB 1.085 64.401 63.200 0.193 0.000 0.900 218 S HN 0.720 nan 8.310 nan 0.000 0.505 219 P HA 0.182 nan 4.420 nan 0.000 0.255 219 P C -0.326 177.101 177.300 0.211 0.000 1.248 219 P CA 0.209 63.398 63.100 0.149 0.000 0.807 219 P CB 0.083 31.871 31.700 0.146 0.000 1.150 220 L N 0.114 121.424 121.223 0.145 0.000 2.360 220 L HA 0.366 4.706 4.340 -0.000 0.000 0.271 220 L C 0.903 177.846 176.870 0.122 0.000 1.057 220 L CA -0.628 54.295 54.840 0.140 0.000 0.803 220 L CB 1.124 43.273 42.059 0.150 0.000 1.207 220 L HN -0.259 nan 8.230 nan 0.000 0.445 221 E N 1.156 121.415 120.200 0.097 0.000 2.542 221 E HA 0.025 4.375 4.350 -0.000 0.000 0.224 221 E C -0.723 175.911 176.600 0.056 0.000 1.110 221 E CA -0.039 56.403 56.400 0.071 0.000 1.350 221 E CB 0.196 29.930 29.700 0.057 0.000 1.302 221 E HN 0.561 nan 8.360 nan 0.000 0.435 222 D N 0.294 120.734 120.400 0.065 0.000 2.593 222 D HA -0.002 4.638 4.640 -0.000 0.000 0.241 222 D C 0.474 176.799 176.300 0.042 0.000 1.257 222 D CA -0.562 53.468 54.000 0.051 0.000 0.828 222 D CB -0.275 40.560 40.800 0.058 0.000 1.049 222 D HN 0.240 nan 8.370 nan 0.000 0.490 223 R N -0.852 119.673 120.500 0.041 0.000 3.946 223 R HA -0.234 4.106 4.340 -0.000 0.000 0.329 223 R C -0.387 175.931 176.300 0.029 0.000 1.209 223 R CA 1.155 57.273 56.100 0.029 0.000 0.909 223 R CB -3.293 27.017 30.300 0.017 0.000 1.355 223 R HN 0.322 nan 8.270 nan 0.000 0.539 224 S N -0.194 115.539 115.700 0.055 0.000 2.617 224 S HA 0.562 5.032 4.470 -0.000 0.000 0.269 224 S C 0.513 175.164 174.600 0.085 0.000 1.292 224 S CA 0.031 58.263 58.200 0.053 0.000 1.010 224 S CB 1.907 65.183 63.200 0.127 0.000 0.944 224 S HN 0.521 nan 8.310 nan 0.000 0.536 225 T N -1.969 112.623 114.554 0.062 0.000 2.883 225 T HA 0.667 5.017 4.350 -0.000 0.000 0.284 225 T C 1.375 176.172 174.700 0.162 0.000 1.041 225 T CA -0.381 61.769 62.100 0.085 0.000 1.007 225 T CB 0.783 69.673 68.868 0.037 0.000 1.220 225 T HN 0.707 nan 8.240 nan 0.000 0.552 226 G N -0.089 108.798 108.800 0.145 0.000 2.432 226 G HA2 0.028 3.987 3.960 -0.000 0.000 0.219 226 G HA3 0.028 3.987 3.960 -0.000 0.000 0.219 226 G C 1.627 176.635 174.900 0.180 0.000 1.135 226 G CA 0.751 45.968 45.100 0.194 0.000 0.767 226 G HN 1.130 nan 8.290 nan 0.000 0.550 227 A N 0.837 123.705 122.820 0.081 0.000 2.121 227 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 227 A C 1.918 179.472 177.584 -0.050 0.000 1.154 227 A CA 1.823 53.877 52.037 0.027 0.000 0.679 227 A CB -0.247 18.755 19.000 0.003 0.000 0.795 227 A HN 0.275 nan 8.150 nan 0.000 0.458 228 D N -1.112 119.195 120.400 -0.155 0.000 2.310 228 D HA -0.043 4.597 4.640 -0.000 0.000 0.212 228 D C 0.501 176.386 176.300 -0.692 0.000 0.965 228 D CA 1.047 54.767 54.000 -0.466 0.000 0.879 228 D CB -0.195 40.173 40.800 -0.719 0.000 0.921 228 D HN 0.594 nan 8.370 nan 0.000 0.510 229 F N -1.447 118.511 119.950 0.013 0.000 2.683 229 F HA 0.350 4.877 4.527 -0.001 0.000 0.306 229 F C 1.661 177.477 175.800 0.027 0.000 1.102 229 F CA -0.191 57.818 58.000 0.014 0.000 1.244 229 F CB 0.786 39.793 39.000 0.011 0.000 1.029 229 F HN -0.056 nan 8.300 nan 0.000 0.545 230 G N 0.209 109.088 108.800 0.131 0.000 2.143 230 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.249 230 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.249 230 G C -0.099 174.939 174.900 0.230 0.000 0.981 230 G CA -0.076 45.113 45.100 0.149 0.000 0.665 230 G HN 0.343 nan 8.290 nan 0.000 0.528 231 C N 0.840 120.258 119.300 0.196 0.000 2.341 231 C HA 0.668 5.128 4.460 -0.000 0.000 0.338 231 C C 0.601 175.663 174.990 0.119 0.000 1.257 231 C CA -0.676 58.454 59.018 0.186 0.000 1.883 231 C CB 1.152 28.971 27.740 0.132 0.000 2.334 231 C HN 0.591 nan 8.230 nan 0.000 0.524 232 Q N 4.129 123.984 119.800 0.092 0.000 2.256 232 Q HA 0.307 4.646 4.340 -0.000 0.000 0.254 232 Q C -2.277 173.761 176.000 0.063 0.000 0.916 232 Q CA -1.435 54.381 55.803 0.021 0.000 0.932 232 Q CB 1.152 29.839 28.738 -0.085 0.000 1.207 232 Q HN 0.511 nan 8.270 nan 0.000 0.426 233 P HA -0.073 nan 4.420 nan 0.000 0.267 233 P C 0.036 177.422 177.300 0.143 0.000 1.209 233 P CA 0.246 63.417 63.100 0.118 0.000 0.763 233 P CB 1.036 32.805 31.700 0.114 0.000 0.816 234 V N 3.975 124.014 119.914 0.208 0.000 2.599 234 V HA -0.020 4.100 4.120 -0.000 0.000 0.245 234 V C 1.555 177.816 176.094 0.279 0.000 1.046 234 V CA 1.366 63.813 62.300 0.245 0.000 1.065 234 V CB -0.439 31.558 31.823 0.291 0.000 0.703 234 V HN 0.562 nan 8.190 nan 0.000 0.464 235 M N 0.117 119.922 119.600 0.342 0.000 2.367 235 M HA 0.412 4.891 4.480 -0.000 0.000 0.339 235 M C -0.862 175.563 176.300 0.209 0.000 1.177 235 M CA 0.264 55.693 55.300 0.215 0.000 1.068 235 M CB 1.575 34.235 32.600 0.099 0.000 1.602 235 M HN 0.152 nan 8.290 nan 0.000 0.457 236 S N 4.339 120.078 115.700 0.065 0.000 2.672 236 S HA 0.500 4.970 4.470 -0.000 0.000 0.291 236 S C -1.343 173.123 174.600 -0.224 0.000 1.145 236 S CA -0.687 57.506 58.200 -0.012 0.000 1.013 236 S CB 1.551 64.740 63.200 -0.018 0.000 1.017 236 S HN 0.680 nan 8.310 nan 0.000 0.487 237 L N 5.108 126.006 121.223 -0.541 0.000 2.257 237 L HA 0.680 5.020 4.340 -0.000 0.000 0.290 237 L C 0.208 176.821 176.870 -0.428 0.000 1.044 237 L CA 0.380 54.820 54.840 -0.667 0.000 0.810 237 L CB 0.524 41.756 42.059 -1.379 0.000 1.193 237 L HN 0.774 nan 8.230 nan 0.000 0.425 238 T N 1.193 115.579 114.554 -0.281 0.000 2.907 238 T HA 0.899 5.248 4.350 -0.000 0.000 0.290 238 T C -0.277 174.318 174.700 -0.175 0.000 1.066 238 T CA -0.348 61.634 62.100 -0.197 0.000 1.012 238 T CB 1.877 70.662 68.868 -0.138 0.000 1.184 238 T HN 0.640 nan 8.240 nan 0.000 0.522 239 S N -0.432 115.181 115.700 -0.145 0.000 2.862 239 S HA 0.767 5.237 4.470 -0.000 0.000 0.300 239 S C -1.601 172.936 174.600 -0.106 0.000 1.240 239 S CA -0.609 57.514 58.200 -0.129 0.000 1.025 239 S CB 0.864 63.973 63.200 -0.151 0.000 1.340 239 S HN 1.077 nan 8.310 nan 0.000 0.544 240 S N 0.165 115.805 115.700 -0.100 0.000 2.607 240 S HA 0.633 5.102 4.470 -0.000 0.000 0.273 240 S C -1.493 173.055 174.600 -0.087 0.000 1.148 240 S CA -0.704 57.446 58.200 -0.084 0.000 0.833 240 S CB 1.182 64.341 63.200 -0.068 0.000 1.130 240 S HN 0.619 nan 8.310 nan 0.000 0.470 241 L N 2.228 123.405 121.223 -0.076 0.000 2.371 241 L HA 0.467 4.806 4.340 -0.000 0.000 0.272 241 L C 0.868 177.698 176.870 -0.066 0.000 1.124 241 L CA -0.227 54.567 54.840 -0.076 0.000 0.816 241 L CB 0.555 42.573 42.059 -0.067 0.000 1.129 241 L HN 0.768 nan 8.230 nan 0.000 0.448 242 I N -0.503 120.027 120.570 -0.067 0.000 4.082 242 I HA 0.584 4.754 4.170 -0.000 0.000 0.337 242 I C 0.294 176.381 176.117 -0.050 0.000 1.352 242 I CA -0.154 61.112 61.300 -0.056 0.000 1.097 242 I CB 0.614 38.578 38.000 -0.059 0.000 1.048 242 I HN 0.494 nan 8.210 nan 0.000 0.393 243 A N 0.624 123.412 122.820 -0.053 0.000 2.583 243 A HA 0.695 5.014 4.320 -0.000 0.000 0.298 243 A C -1.498 176.058 177.584 -0.047 0.000 1.055 243 A CA -0.400 51.611 52.037 -0.045 0.000 0.714 243 A CB 1.587 20.561 19.000 -0.044 0.000 1.277 243 A HN -0.047 nan 8.150 nan 0.000 0.406 244 V N 2.747 122.641 119.914 -0.035 0.000 2.482 244 V HA 0.625 4.745 4.120 -0.000 0.000 0.295 244 V C -0.104 175.980 176.094 -0.016 0.000 1.026 244 V CA -0.375 61.907 62.300 -0.030 0.000 0.856 244 V CB 1.609 33.417 31.823 -0.026 0.000 1.001 244 V HN 0.946 nan 8.190 nan 0.000 0.424 245 R N 2.634 123.128 120.500 -0.010 0.000 2.854 245 R HA 0.633 4.973 4.340 -0.000 0.000 0.271 245 R C -0.947 175.379 176.300 0.043 0.000 0.994 245 R CA -1.032 55.076 56.100 0.013 0.000 0.945 245 R CB 2.123 32.431 30.300 0.013 0.000 1.194 245 R HN 0.524 nan 8.270 nan 0.000 0.476 246 E N 1.304 121.539 120.200 0.058 0.000 2.349 246 E HA 0.162 4.512 4.350 -0.000 0.000 0.265 246 E C -0.818 175.878 176.600 0.159 0.000 1.064 246 E CA -0.054 56.395 56.400 0.082 0.000 0.886 246 E CB 1.097 30.827 29.700 0.050 0.000 1.036 246 E HN 0.417 nan 8.360 nan 0.000 0.413 247 H N 0.193 119.283 119.070 0.033 0.000 2.996 247 H HA 0.307 4.863 4.556 -0.000 0.000 0.368 247 H C -1.008 174.346 175.328 0.042 0.000 1.185 247 H CA -0.665 55.411 56.048 0.048 0.000 1.160 247 H CB 1.002 30.816 29.762 0.087 0.000 1.820 247 H HN 0.073 nan 8.280 nan 0.000 0.547 248 K N 1.697 121.867 120.400 -0.384 0.000 2.185 248 K HA 0.666 4.986 4.320 -0.000 0.000 0.240 248 K C -0.425 176.025 176.600 -0.249 0.000 0.983 248 K CA -0.689 55.460 56.287 -0.231 0.000 0.873 248 K CB 1.707 34.101 32.500 -0.176 0.000 1.118 248 K HN 0.696 nan 8.250 nan 0.000 0.441 249 A N -0.055 122.692 122.820 -0.122 0.000 2.462 249 A HA 0.441 4.761 4.320 -0.000 0.000 0.243 249 A C 1.168 178.673 177.584 -0.132 0.000 1.076 249 A CA 1.016 52.991 52.037 -0.103 0.000 0.773 249 A CB -0.577 18.385 19.000 -0.064 0.000 1.010 249 A HN 0.889 nan 8.150 nan 0.000 0.493 250 G N 1.092 109.806 108.800 -0.144 0.000 2.225 250 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.254 250 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.254 250 G C 0.084 174.906 174.900 -0.130 0.000 0.988 250 G CA 0.543 45.563 45.100 -0.132 0.000 0.625 250 G HN 0.875 nan 8.290 nan 0.000 0.527 251 E N 2.395 122.494 120.200 -0.168 0.000 2.289 251 E HA 0.388 4.738 4.350 -0.000 0.000 0.278 251 E C -2.090 174.557 176.600 0.079 0.000 1.032 251 E CA -1.589 54.735 56.400 -0.127 0.000 0.854 251 E CB 1.614 31.077 29.700 -0.395 0.000 1.046 251 E HN 0.298 nan 8.360 nan 0.000 0.409 252 P HA 0.165 nan 4.420 nan 0.000 0.278 252 P C -0.722 176.747 177.300 0.281 0.000 1.258 252 P CA -0.386 62.810 63.100 0.161 0.000 0.811 252 P CB 1.136 32.889 31.700 0.087 0.000 1.063 253 V N 0.122 120.209 119.914 0.290 0.000 2.638 253 V HA 0.662 4.782 4.120 -0.000 0.000 0.306 253 V C 0.545 176.692 176.094 0.088 0.000 1.052 253 V CA 0.322 62.729 62.300 0.178 0.000 0.885 253 V CB 0.831 32.751 31.823 0.162 0.000 0.999 253 V HN 1.143 nan 8.190 nan 0.000 0.424 254 G N 3.411 112.189 108.800 -0.036 0.000 2.782 254 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.228 254 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.228 254 G C -0.796 174.041 174.900 -0.105 0.000 1.372 254 G CA -0.538 44.478 45.100 -0.140 0.000 0.862 254 G HN 0.722 nan 8.290 nan 0.000 0.547 255 Y N 0.963 121.303 120.300 0.067 0.000 2.610 255 Y HA 0.329 4.878 4.550 -0.001 0.000 0.332 255 Y C 1.909 177.851 175.900 0.070 0.000 1.201 255 Y CA 1.573 59.712 58.100 0.065 0.000 1.465 255 Y CB 0.749 39.249 38.460 0.067 0.000 1.283 255 Y HN 2.113 nan 8.280 nan 0.000 0.563 256 G N 1.399 110.336 108.800 0.228 0.000 2.184 256 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.264 256 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.264 256 G C 1.069 176.039 174.900 0.117 0.000 0.975 256 G CA 0.446 45.635 45.100 0.148 0.000 0.642 256 G HN 1.797 nan 8.290 nan 0.000 0.536 257 G N -1.072 107.797 108.800 0.115 0.000 2.321 257 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.287 257 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.287 257 G C 1.206 176.177 174.900 0.118 0.000 1.018 257 G CA 1.593 46.755 45.100 0.104 0.000 0.855 257 G HN 1.451 nan 8.290 nan 0.000 0.507 258 T N -1.769 112.873 114.554 0.147 0.000 2.760 258 T HA -0.122 4.227 4.350 -0.000 0.000 0.269 258 T C 0.782 175.617 174.700 0.225 0.000 1.047 258 T CA 1.813 64.011 62.100 0.163 0.000 1.139 258 T CB 0.025 68.994 68.868 0.168 0.000 0.855 258 T HN 0.631 nan 8.240 nan 0.000 0.471 259 W N 0.752 122.073 121.300 0.035 0.000 2.739 259 W HA 0.547 5.207 4.660 -0.000 0.000 0.331 259 W C -1.914 174.633 176.519 0.047 0.000 1.049 259 W CA -0.952 56.413 57.345 0.033 0.000 1.234 259 W CB 1.360 30.832 29.460 0.019 0.000 1.404 259 W HN -0.338 nan 8.180 nan 0.000 0.477 260 V N 4.969 124.458 119.914 -0.708 0.000 2.540 260 V HA 0.378 4.498 4.120 -0.000 0.000 0.302 260 V C -0.001 175.359 176.094 -1.223 0.000 1.035 260 V CA -0.932 60.974 62.300 -0.658 0.000 0.873 260 V CB 1.481 33.104 31.823 -0.334 0.000 0.992 260 V HN 0.528 nan 8.190 nan 0.000 0.428 261 S N 2.387 117.548 115.700 -0.900 0.000 2.523 261 S HA 0.236 4.705 4.470 -0.000 0.000 0.275 261 S C 0.791 175.208 174.600 -0.304 0.000 1.281 261 S CA -0.346 57.461 58.200 -0.654 0.000 1.050 261 S CB 0.646 63.856 63.200 0.017 0.000 0.937 261 S HN 0.826 nan 8.310 nan 0.000 0.492 262 E N 2.375 122.454 120.200 -0.201 0.000 2.463 262 E HA 0.115 4.465 4.350 -0.000 0.000 0.193 262 E C -0.162 176.413 176.600 -0.042 0.000 1.041 262 E CA -0.063 56.271 56.400 -0.110 0.000 0.879 262 E CB 0.335 29.985 29.700 -0.083 0.000 0.997 262 E HN 0.589 nan 8.360 nan 0.000 0.478 263 R N -0.668 119.828 120.500 -0.005 0.000 2.692 263 R HA 0.320 4.660 4.340 -0.000 0.000 0.269 263 R C -1.549 174.784 176.300 0.054 0.000 1.030 263 R CA -0.923 55.192 56.100 0.025 0.000 0.882 263 R CB 0.164 30.492 30.300 0.046 0.000 1.250 263 R HN -0.298 nan 8.270 nan 0.000 0.465 264 D N 0.512 120.934 120.400 0.035 0.000 2.425 264 D HA 0.396 5.036 4.640 -0.000 0.000 0.247 264 D C -0.315 176.038 176.300 0.088 0.000 1.147 264 D CA 0.694 54.721 54.000 0.045 0.000 0.879 264 D CB 1.402 42.215 40.800 0.021 0.000 1.179 264 D HN 0.567 nan 8.370 nan 0.000 0.456 265 T N 1.325 115.960 114.554 0.135 0.000 2.671 265 T HA 0.532 4.882 4.350 -0.000 0.000 0.300 265 T C -1.297 173.481 174.700 0.130 0.000 1.238 265 T CA -0.737 61.443 62.100 0.134 0.000 1.020 265 T CB 0.968 69.944 68.868 0.180 0.000 1.503 265 T HN 0.262 nan 8.240 nan 0.000 0.497 266 R N 1.178 121.729 120.500 0.085 0.000 2.534 266 R HA 0.681 5.020 4.340 -0.000 0.000 0.301 266 R C -0.952 175.355 176.300 0.011 0.000 0.961 266 R CA -0.711 55.421 56.100 0.052 0.000 0.871 266 R CB 1.571 31.886 30.300 0.026 0.000 1.170 266 R HN 0.433 nan 8.270 nan 0.000 0.446 267 L N 1.211 122.422 121.223 -0.019 0.000 2.331 267 L HA 0.637 4.977 4.340 -0.000 0.000 0.275 267 L C 0.646 177.464 176.870 -0.086 0.000 1.022 267 L CA -0.879 53.905 54.840 -0.094 0.000 0.812 267 L CB 1.964 43.922 42.059 -0.168 0.000 1.257 267 L HN 0.699 nan 8.230 nan 0.000 0.435 268 G N 1.258 109.992 108.800 -0.111 0.000 2.416 268 G HA2 0.594 4.554 3.960 -0.000 0.000 0.329 268 G HA3 0.594 4.554 3.960 -0.000 0.000 0.329 268 G C -1.116 173.713 174.900 -0.119 0.000 1.173 268 G CA -0.359 44.682 45.100 -0.099 0.000 0.929 268 G HN 0.281 nan 8.290 nan 0.000 0.475 269 V N 2.270 122.122 119.914 -0.104 0.000 2.384 269 V HA 0.366 4.485 4.120 -0.000 0.000 0.287 269 V C 0.032 176.059 176.094 -0.112 0.000 1.020 269 V CA -0.666 61.567 62.300 -0.112 0.000 0.850 269 V CB 1.358 33.124 31.823 -0.095 0.000 0.987 269 V HN 0.551 nan 8.190 nan 0.000 0.436 270 V N 3.606 123.440 119.914 -0.134 0.000 2.481 270 V HA 0.543 4.663 4.120 -0.000 0.000 0.286 270 V C 0.849 176.860 176.094 -0.139 0.000 1.042 270 V CA -0.493 61.721 62.300 -0.143 0.000 0.928 270 V CB 1.699 33.412 31.823 -0.184 0.000 0.986 270 V HN 0.964 nan 8.190 nan 0.000 0.462 271 A N 5.730 128.476 122.820 -0.125 0.000 3.037 271 A HA 0.635 4.954 4.320 -0.000 0.000 0.272 271 A C -0.159 177.345 177.584 -0.133 0.000 1.723 271 A CA 0.105 52.074 52.037 -0.114 0.000 1.413 271 A CB -0.825 18.119 19.000 -0.094 0.000 1.112 271 A HN 0.817 nan 8.150 nan 0.000 0.606 272 M N 0.813 120.320 119.600 -0.156 0.000 2.414 272 M HA 0.643 5.123 4.480 -0.000 0.000 0.287 272 M C -0.425 175.777 176.300 -0.163 0.000 1.181 272 M CA 0.169 55.365 55.300 -0.173 0.000 0.933 272 M CB 1.661 34.108 32.600 -0.256 0.000 1.732 272 M HN 0.630 nan 8.290 nan 0.000 0.486 273 G N 1.940 110.678 108.800 -0.103 0.000 2.619 273 G HA2 0.366 4.326 3.960 -0.000 0.000 0.305 273 G HA3 0.366 4.326 3.960 -0.000 0.000 0.305 273 G C -0.777 174.142 174.900 0.032 0.000 1.330 273 G CA -0.058 44.989 45.100 -0.089 0.000 0.789 273 G HN 0.991 nan 8.290 nan 0.000 0.487 274 Y N -0.886 119.485 120.300 0.118 0.000 2.583 274 Y HA 0.278 4.827 4.550 -0.001 0.000 0.293 274 Y C 2.056 177.994 175.900 0.064 0.000 1.157 274 Y CA 0.700 58.865 58.100 0.108 0.000 1.315 274 Y CB -0.136 38.378 38.460 0.089 0.000 1.021 274 Y HN 0.457 nan 8.280 nan 0.000 0.536 275 G N 0.243 108.990 108.800 -0.088 0.000 2.744 275 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.211 275 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.211 275 G C 1.027 175.935 174.900 0.013 0.000 1.143 275 G CA 0.737 45.825 45.100 -0.020 0.000 0.788 275 G HN 0.447 nan 8.290 nan 0.000 0.534 276 D N -0.712 119.703 120.400 0.025 0.000 2.454 276 D HA 0.171 4.811 4.640 -0.000 0.000 0.219 276 D C 1.870 178.205 176.300 0.058 0.000 1.081 276 D CA 0.939 54.951 54.000 0.019 0.000 0.867 276 D CB 0.989 41.781 40.800 -0.015 0.000 1.054 276 D HN 0.376 nan 8.370 nan 0.000 0.500 277 G N 0.724 109.597 108.800 0.121 0.000 2.260 277 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.179 277 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.179 277 G C -0.096 174.916 174.900 0.186 0.000 1.002 277 G CA -0.526 44.656 45.100 0.136 0.000 0.677 277 G HN 0.273 nan 8.290 nan 0.000 0.486 278 Y N 4.303 124.668 120.300 0.109 0.000 2.465 278 Y HA 0.450 5.000 4.550 -0.001 0.000 0.331 278 Y C -1.555 174.459 175.900 0.190 0.000 1.102 278 Y CA -1.321 56.869 58.100 0.150 0.000 1.358 278 Y CB 0.817 39.316 38.460 0.066 0.000 1.213 278 Y HN 0.083 nan 8.280 nan 0.000 0.525 279 P HA -0.063 nan 4.420 nan 0.000 0.260 279 P C -0.013 177.360 177.300 0.121 0.000 1.185 279 P CA 0.312 63.377 63.100 -0.059 0.000 0.763 279 P CB 0.732 32.323 31.700 -0.182 0.000 0.776 280 R N 3.980 124.558 120.500 0.129 0.000 2.189 280 R HA -0.079 4.261 4.340 -0.000 0.000 0.223 280 R C 1.897 178.255 176.300 0.096 0.000 1.092 280 R CA 1.311 57.504 56.100 0.155 0.000 0.989 280 R CB -0.474 29.774 30.300 -0.087 0.000 0.876 280 R HN 0.498 nan 8.270 nan 0.000 0.457 281 A N 0.757 123.600 122.820 0.039 0.000 2.216 281 A HA 0.175 4.495 4.320 -0.000 0.000 0.214 281 A C 0.948 178.565 177.584 0.055 0.000 1.160 281 A CA 0.681 52.736 52.037 0.029 0.000 0.725 281 A CB -0.330 18.668 19.000 -0.004 0.000 0.784 281 A HN 0.419 nan 8.150 nan 0.000 0.472 282 A N 1.898 124.774 122.820 0.092 0.000 2.537 282 A HA 0.446 4.766 4.320 -0.000 0.000 0.260 282 A C -1.850 175.804 177.584 0.116 0.000 1.082 282 A CA -0.779 51.334 52.037 0.126 0.000 0.765 282 A CB -0.279 18.889 19.000 0.280 0.000 1.019 282 A HN 0.391 nan 8.150 nan 0.000 0.507 283 P HA 0.202 nan 4.420 nan 0.000 0.276 283 P C -0.170 177.165 177.300 0.058 0.000 1.252 283 P CA -0.454 62.691 63.100 0.074 0.000 0.802 283 P CB 0.773 32.512 31.700 0.065 0.000 1.035 284 S N -0.339 115.392 115.700 0.050 0.000 2.558 284 S HA 0.350 4.820 4.470 -0.000 0.000 0.288 284 S C 1.477 176.082 174.600 0.008 0.000 1.318 284 S CA 1.216 59.407 58.200 -0.014 0.000 1.056 284 S CB -0.418 62.803 63.200 0.035 0.000 0.853 284 S HN 0.939 nan 8.310 nan 0.000 0.505 285 G N 2.316 111.092 108.800 -0.039 0.000 2.232 285 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.226 285 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.226 285 G C 0.250 175.160 174.900 0.015 0.000 0.996 285 G CA -0.019 45.083 45.100 0.003 0.000 0.626 285 G HN 0.751 nan 8.290 nan 0.000 0.509 286 T N 5.012 119.584 114.554 0.031 0.000 2.902 286 T HA 0.442 4.792 4.350 -0.000 0.000 0.301 286 T C -1.784 172.949 174.700 0.055 0.000 1.012 286 T CA 0.385 62.526 62.100 0.067 0.000 1.151 286 T CB 1.550 70.492 68.868 0.124 0.000 0.946 286 T HN 0.346 nan 8.240 nan 0.000 0.542 287 P HA 0.378 nan 4.420 nan 0.000 0.279 287 P C -0.859 176.483 177.300 0.070 0.000 1.239 287 P CA -0.382 62.749 63.100 0.052 0.000 0.789 287 P CB 1.178 32.910 31.700 0.054 0.000 0.933 288 V N 3.966 123.894 119.914 0.024 0.000 3.049 288 V HA 0.492 4.612 4.120 -0.000 0.000 0.309 288 V C -1.582 174.507 176.094 -0.009 0.000 1.148 288 V CA -1.137 61.167 62.300 0.007 0.000 0.990 288 V CB 2.135 33.920 31.823 -0.062 0.000 1.039 288 V HN 0.296 nan 8.190 nan 0.000 0.430 289 L N 5.456 126.673 121.223 -0.010 0.000 2.287 289 L HA 0.653 4.992 4.340 -0.000 0.000 0.287 289 L C -0.763 176.085 176.870 -0.036 0.000 1.022 289 L CA -0.802 54.029 54.840 -0.015 0.000 0.814 289 L CB 1.691 43.750 42.059 0.001 0.000 1.217 289 L HN 0.502 nan 8.230 nan 0.000 0.420 290 V N 3.679 123.570 119.914 -0.038 0.000 2.384 290 V HA 0.283 4.402 4.120 -0.000 0.000 0.287 290 V C 0.287 176.361 176.094 -0.033 0.000 1.020 290 V CA -0.664 61.609 62.300 -0.045 0.000 0.850 290 V CB 1.271 33.062 31.823 -0.053 0.000 0.987 290 V HN 0.878 nan 8.190 nan 0.000 0.436 291 N N 4.226 122.906 118.700 -0.032 0.000 2.727 291 N HA -0.225 4.515 4.740 -0.000 0.000 0.249 291 N C 1.248 176.747 175.510 -0.018 0.000 1.048 291 N CA 1.389 54.424 53.050 -0.024 0.000 0.714 291 N CB -0.931 37.542 38.487 -0.023 0.000 0.959 291 N HN 1.483 nan 8.380 nan 0.000 0.544 292 G N -0.535 108.255 108.800 -0.016 0.000 2.212 292 G HA2 -0.384 3.575 3.960 -0.000 0.000 0.266 292 G HA3 -0.384 3.575 3.960 -0.000 0.000 0.266 292 G C 0.080 174.977 174.900 -0.005 0.000 0.978 292 G CA 0.995 46.090 45.100 -0.009 0.000 0.632 292 G HN 0.880 nan 8.290 nan 0.000 0.537 293 R N 0.311 120.805 120.500 -0.009 0.000 2.589 293 R HA 0.714 5.054 4.340 -0.000 0.000 0.293 293 R C -0.202 176.094 176.300 -0.008 0.000 0.963 293 R CA -0.712 55.384 56.100 -0.006 0.000 0.905 293 R CB 1.584 31.880 30.300 -0.006 0.000 1.144 293 R HN 0.245 nan 8.270 nan 0.000 0.459 294 E N 2.604 122.804 120.200 -0.001 0.000 2.344 294 E HA 0.194 4.544 4.350 -0.000 0.000 0.270 294 E C -0.684 175.909 176.600 -0.010 0.000 1.021 294 E CA -0.615 55.785 56.400 -0.000 0.000 0.887 294 E CB 0.991 30.697 29.700 0.010 0.000 0.997 294 E HN 0.489 nan 8.360 nan 0.000 0.429 295 V N 2.173 122.073 119.914 -0.023 0.000 2.925 295 V HA 0.674 4.794 4.120 -0.000 0.000 0.311 295 V C -2.635 173.426 176.094 -0.055 0.000 1.104 295 V CA -2.335 59.940 62.300 -0.041 0.000 0.954 295 V CB 1.606 33.394 31.823 -0.059 0.000 1.022 295 V HN 0.639 nan 8.190 nan 0.000 0.427 296 P HA 0.509 nan 4.420 nan 0.000 0.286 296 P C -0.411 176.783 177.300 -0.177 0.000 1.261 296 P CA -0.476 62.566 63.100 -0.098 0.000 0.821 296 P CB 1.705 33.352 31.700 -0.087 0.000 1.013 297 I N 2.200 122.680 120.570 -0.151 0.000 2.575 297 I HA 0.129 4.298 4.170 -0.000 0.000 0.285 297 I C 0.543 176.462 176.117 -0.330 0.000 1.085 297 I CA -0.279 60.906 61.300 -0.193 0.000 1.403 297 I CB 1.014 38.963 38.000 -0.085 0.000 1.409 297 I HN 0.168 nan 8.210 nan 0.000 0.557 298 V N 2.999 122.634 119.914 -0.466 0.000 2.525 298 V HA 0.983 5.103 4.120 -0.000 0.000 0.299 298 V C -0.020 175.838 176.094 -0.394 0.000 1.034 298 V CA -0.226 61.592 62.300 -0.803 0.000 0.863 298 V CB 0.729 31.519 31.823 -1.722 0.000 0.999 298 V HN 1.146 nan 8.190 nan 0.000 0.423 299 G N 3.944 112.660 108.800 -0.141 0.000 2.756 299 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.678 299 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.678 299 G C -0.397 174.529 174.900 0.043 0.000 1.349 299 G CA -0.456 44.674 45.100 0.049 0.000 0.847 299 G HN 1.127 nan 8.290 nan 0.000 0.548 300 R N -0.997 119.564 120.500 0.103 0.000 2.679 300 R HA 0.349 4.688 4.340 -0.000 0.000 0.268 300 R C 0.606 176.990 176.300 0.139 0.000 1.044 300 R CA -0.368 55.819 56.100 0.146 0.000 1.105 300 R CB 0.620 31.055 30.300 0.226 0.000 0.989 300 R HN 0.414 nan 8.270 nan 0.000 0.447 301 V N 2.896 122.917 119.914 0.179 0.000 2.555 301 V HA 0.221 4.341 4.120 -0.000 0.000 0.286 301 V C 0.645 176.906 176.094 0.278 0.000 1.044 301 V CA 0.065 62.479 62.300 0.190 0.000 1.026 301 V CB 1.045 33.040 31.823 0.287 0.000 0.981 301 V HN 0.922 nan 8.190 nan 0.000 0.480 302 A N 4.847 127.758 122.820 0.152 0.000 2.263 302 A HA 0.593 4.912 4.320 -0.000 0.000 0.318 302 A C 1.127 178.493 177.584 -0.363 0.000 1.111 302 A CA -0.485 51.628 52.037 0.127 0.000 0.901 302 A CB 0.753 19.845 19.000 0.155 0.000 1.280 302 A HN 0.860 nan 8.150 nan 0.000 0.503 303 M N -0.709 118.495 119.600 -0.661 0.000 2.117 303 M HA -0.136 4.343 4.480 -0.000 0.000 0.262 303 M C 0.176 176.171 176.300 -0.508 0.000 1.065 303 M CA 2.350 56.992 55.300 -1.098 0.000 1.114 303 M CB -0.107 32.157 32.600 -0.560 0.000 1.361 303 M HN 0.748 nan 8.290 nan 0.000 0.408 304 D N -1.190 119.052 120.400 -0.264 0.000 2.498 304 D HA 0.236 4.875 4.640 -0.000 0.000 0.223 304 D C 0.207 176.426 176.300 -0.135 0.000 1.125 304 D CA 0.319 54.219 54.000 -0.166 0.000 0.835 304 D CB 0.753 41.486 40.800 -0.112 0.000 1.086 304 D HN 0.371 nan 8.370 nan 0.000 0.510 305 M N 0.720 120.243 119.600 -0.127 0.000 2.619 305 M HA 0.517 4.997 4.480 -0.000 0.000 0.297 305 M C -1.169 175.060 176.300 -0.118 0.000 1.229 305 M CA -0.621 54.609 55.300 -0.118 0.000 0.860 305 M CB 3.457 35.997 32.600 -0.100 0.000 1.741 305 M HN -0.308 nan 8.290 nan 0.000 0.462 306 I N 0.576 121.058 120.570 -0.146 0.000 2.569 306 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 306 I C -1.253 174.764 176.117 -0.168 0.000 1.088 306 I CA -0.631 60.573 61.300 -0.160 0.000 1.047 306 I CB 2.289 40.143 38.000 -0.243 0.000 1.237 306 I HN 0.683 nan 8.210 nan 0.000 0.421 307 C N 5.735 124.932 119.300 -0.171 0.000 2.358 307 C HA 0.773 5.233 4.460 -0.000 0.000 0.342 307 C C 0.170 175.014 174.990 -0.243 0.000 1.234 307 C CA -0.543 58.354 59.018 -0.200 0.000 1.969 307 C CB 1.124 28.736 27.740 -0.213 0.000 2.346 307 C HN 0.539 nan 8.230 nan 0.000 0.525 308 V N -0.073 119.700 119.914 -0.236 0.000 3.040 308 V HA 0.653 4.772 4.120 -0.000 0.000 0.312 308 V C -1.015 174.929 176.094 -0.250 0.000 1.115 308 V CA -0.478 61.675 62.300 -0.245 0.000 0.998 308 V CB 1.971 33.690 31.823 -0.173 0.000 1.042 308 V HN 0.731 nan 8.190 nan 0.000 0.433 309 D N 1.601 121.847 120.400 -0.257 0.000 2.317 309 D HA 0.479 5.119 4.640 -0.000 0.000 0.234 309 D C 0.590 176.837 176.300 -0.088 0.000 1.112 309 D CA -0.155 53.736 54.000 -0.181 0.000 0.840 309 D CB 1.598 42.290 40.800 -0.180 0.000 1.078 309 D HN 0.636 nan 8.370 nan 0.000 0.486 310 L N 2.551 123.742 121.223 -0.054 0.000 2.408 310 L HA 0.366 4.705 4.340 -0.000 0.000 0.215 310 L C 1.255 178.123 176.870 -0.003 0.000 1.081 310 L CA 0.281 55.102 54.840 -0.031 0.000 0.840 310 L CB -0.140 41.899 42.059 -0.033 0.000 1.002 310 L HN 0.628 nan 8.230 nan 0.000 0.468 311 G N -0.083 108.728 108.800 0.019 0.000 2.640 311 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.686 311 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.686 311 G C -2.398 172.524 174.900 0.038 0.000 1.229 311 G CA -0.435 44.686 45.100 0.035 0.000 0.796 311 G HN -0.150 nan 8.290 nan 0.000 0.654 312 P HA -0.140 nan 4.420 nan 0.000 0.218 312 P C 0.880 178.197 177.300 0.028 0.000 1.146 312 P CA 1.570 64.696 63.100 0.042 0.000 0.813 312 P CB 0.334 32.059 31.700 0.040 0.000 0.778 313 Q N -2.072 117.740 119.800 0.021 0.000 2.115 313 Q HA 0.453 4.792 4.340 -0.000 0.000 0.249 313 Q C 1.528 177.534 176.000 0.009 0.000 0.830 313 Q CA -0.071 55.740 55.803 0.014 0.000 1.104 313 Q CB -0.331 28.415 28.738 0.012 0.000 1.207 313 Q HN 0.010 nan 8.270 nan 0.000 0.464 314 A N 0.817 123.641 122.820 0.008 0.000 1.929 314 A HA -0.369 3.950 4.320 -0.000 0.000 0.221 314 A C 1.119 178.701 177.584 -0.004 0.000 1.211 314 A CA 2.289 54.327 52.037 0.001 0.000 0.657 314 A CB -0.241 18.757 19.000 -0.003 0.000 0.827 314 A HN 0.624 nan 8.150 nan 0.000 0.462 315 Q N -2.489 117.308 119.800 -0.004 0.000 2.311 315 Q HA -0.171 4.169 4.340 -0.000 0.000 0.178 315 Q C -0.859 175.135 176.000 -0.011 0.000 0.596 315 Q CA 1.060 56.859 55.803 -0.006 0.000 1.377 315 Q CB -1.762 26.973 28.738 -0.005 0.000 1.372 315 Q HN 0.838 nan 8.270 nan 0.000 0.896 316 D N 1.639 122.030 120.400 -0.015 0.000 2.399 316 D HA 0.168 4.808 4.640 -0.000 0.000 0.241 316 D C 0.384 176.671 176.300 -0.022 0.000 1.133 316 D CA 0.646 54.633 54.000 -0.022 0.000 0.890 316 D CB 0.716 41.498 40.800 -0.029 0.000 1.201 316 D HN 0.035 nan 8.370 nan 0.000 0.432 317 K N 0.219 120.604 120.400 -0.025 0.000 2.395 317 K HA 0.566 4.886 4.320 -0.000 0.000 0.247 317 K C -0.623 175.959 176.600 -0.031 0.000 0.973 317 K CA -0.966 55.306 56.287 -0.024 0.000 0.828 317 K CB 2.094 34.582 32.500 -0.020 0.000 1.272 317 K HN 0.417 nan 8.250 nan 0.000 0.439 318 A N 0.059 122.860 122.820 -0.031 0.000 2.531 318 A HA 0.415 4.735 4.320 -0.000 0.000 0.236 318 A C 1.147 178.710 177.584 -0.035 0.000 1.062 318 A CA 1.360 53.376 52.037 -0.036 0.000 0.760 318 A CB -0.675 18.305 19.000 -0.033 0.000 0.995 318 A HN 0.968 nan 8.150 nan 0.000 0.501 319 G N 1.704 110.480 108.800 -0.040 0.000 2.232 319 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.226 319 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.226 319 G C -0.046 174.830 174.900 -0.040 0.000 0.996 319 G CA 0.238 45.315 45.100 -0.038 0.000 0.626 319 G HN 0.812 nan 8.290 nan 0.000 0.509 320 D N 2.789 123.165 120.400 -0.041 0.000 2.372 320 D HA 0.426 5.065 4.640 -0.000 0.000 0.243 320 D C -1.752 174.519 176.300 -0.049 0.000 1.121 320 D CA -0.872 53.104 54.000 -0.040 0.000 0.898 320 D CB 1.034 41.812 40.800 -0.037 0.000 1.202 320 D HN 0.239 nan 8.370 nan 0.000 0.428 321 P HA 0.041 nan 4.420 nan 0.000 0.271 321 P C -0.679 176.585 177.300 -0.060 0.000 1.216 321 P CA -0.162 62.907 63.100 -0.053 0.000 0.771 321 P CB 0.788 32.462 31.700 -0.043 0.000 0.864 322 V N 5.200 125.068 119.914 -0.076 0.000 2.656 322 V HA 0.411 4.531 4.120 -0.000 0.000 0.307 322 V C 0.359 176.395 176.094 -0.096 0.000 1.051 322 V CA -0.643 61.604 62.300 -0.088 0.000 0.893 322 V CB 2.085 33.840 31.823 -0.112 0.000 0.999 322 V HN 0.400 nan 8.190 nan 0.000 0.426 323 I N 5.198 125.722 120.570 -0.077 0.000 2.382 323 I HA 0.251 4.421 4.170 -0.000 0.000 0.285 323 I C 0.519 176.604 176.117 -0.053 0.000 1.007 323 I CA -0.500 60.758 61.300 -0.071 0.000 1.142 323 I CB 1.787 39.772 38.000 -0.025 0.000 1.289 323 I HN 0.456 nan 8.210 nan 0.000 0.453 324 L N 5.579 126.731 121.223 -0.119 0.000 2.109 324 L HA 0.037 4.377 4.340 -0.000 0.000 0.207 324 L C -0.027 176.982 176.870 0.231 0.000 1.086 324 L CA 1.450 56.270 54.840 -0.033 0.000 0.760 324 L CB -0.874 41.059 42.059 -0.210 0.000 0.910 324 L HN 0.790 nan 8.230 nan 0.000 0.437 325 W N -2.724 118.615 121.300 0.065 0.000 3.700 325 W HA 0.539 5.198 4.660 -0.001 0.000 0.279 325 W C -0.331 176.205 176.519 0.029 0.000 1.270 325 W CA -0.490 56.886 57.345 0.051 0.000 1.216 325 W CB -0.026 29.470 29.460 0.059 0.000 1.292 325 W HN 0.102 nan 8.180 nan 0.000 0.557 326 G N 0.668 109.658 108.800 0.316 0.000 2.553 326 G HA2 0.080 4.040 3.960 -0.000 0.000 0.106 326 G HA3 0.080 4.040 3.960 -0.000 0.000 0.106 326 G C -1.126 173.851 174.900 0.127 0.000 1.126 326 G CA -0.422 44.799 45.100 0.202 0.000 1.075 326 G HN 0.871 nan 8.290 nan 0.000 0.472 327 E N 1.342 121.588 120.200 0.077 0.000 2.292 327 E HA 0.397 4.746 4.350 -0.000 0.000 0.265 327 E C 1.209 177.838 176.600 0.048 0.000 1.093 327 E CA 1.129 57.561 56.400 0.052 0.000 0.922 327 E CB -0.268 29.450 29.700 0.031 0.000 1.001 327 E HN 2.038 nan 8.360 nan 0.000 0.444 328 G N 3.766 112.594 108.800 0.047 0.000 2.175 328 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.244 328 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.244 328 G C -0.190 174.743 174.900 0.054 0.000 0.982 328 G CA 0.165 45.289 45.100 0.040 0.000 0.641 328 G HN 0.554 nan 8.290 nan 0.000 0.527 329 L N 1.106 122.377 121.223 0.081 0.000 2.549 329 L HA 0.556 4.896 4.340 -0.000 0.000 0.260 329 L C -2.542 174.410 176.870 0.137 0.000 1.109 329 L CA -1.823 53.081 54.840 0.106 0.000 0.900 329 L CB 1.466 43.602 42.059 0.127 0.000 1.119 329 L HN -0.115 nan 8.230 nan 0.000 0.471 330 P HA 0.041 nan 4.420 nan 0.000 0.266 330 P C 1.026 178.324 177.300 -0.003 0.000 1.195 330 P CA 0.136 63.269 63.100 0.054 0.000 0.768 330 P CB 1.144 32.861 31.700 0.028 0.000 0.838 331 V N 3.090 122.925 119.914 -0.132 0.000 2.594 331 V HA -0.260 3.860 4.120 -0.000 0.000 0.253 331 V C 1.613 177.539 176.094 -0.280 0.000 1.069 331 V CA 2.091 64.124 62.300 -0.446 0.000 1.082 331 V CB -0.888 30.404 31.823 -0.884 0.000 0.680 331 V HN 0.503 nan 8.190 nan 0.000 0.469 332 E N 0.072 120.186 120.200 -0.143 0.000 2.110 332 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 332 E C 2.272 178.841 176.600 -0.052 0.000 0.988 332 E CA 1.358 57.710 56.400 -0.080 0.000 0.804 332 E CB -0.341 29.345 29.700 -0.023 0.000 0.745 332 E HN 0.489 nan 8.360 nan 0.000 0.458 333 R N 0.879 121.360 120.500 -0.030 0.000 2.075 333 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 333 R C 1.753 178.052 176.300 -0.001 0.000 1.126 333 R CA 1.249 57.349 56.100 -0.001 0.000 0.963 333 R CB -0.621 29.694 30.300 0.024 0.000 0.858 333 R HN 0.172 nan 8.270 nan 0.000 0.435 334 I N 0.942 121.502 120.570 -0.018 0.000 2.315 334 I HA -0.093 4.076 4.170 -0.000 0.000 0.248 334 I C 2.323 178.400 176.117 -0.068 0.000 1.117 334 I CA 1.442 62.738 61.300 -0.007 0.000 1.404 334 I CB -0.580 37.424 38.000 0.007 0.000 1.071 334 I HN 0.273 nan 8.210 nan 0.000 0.419 335 A N -0.070 122.678 122.820 -0.119 0.000 1.908 335 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 335 A C 2.398 179.955 177.584 -0.044 0.000 1.181 335 A CA 2.072 54.048 52.037 -0.102 0.000 0.627 335 A CB -0.686 18.254 19.000 -0.100 0.000 0.818 335 A HN 0.525 nan 8.150 nan 0.000 0.445 336 E N -0.924 119.262 120.200 -0.025 0.000 2.047 336 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 336 E C 1.998 178.600 176.600 0.004 0.000 0.987 336 E CA 1.300 57.698 56.400 -0.004 0.000 0.799 336 E CB -0.188 29.515 29.700 0.004 0.000 0.752 336 E HN 0.461 nan 8.360 nan 0.000 0.449 337 M N 0.748 120.354 119.600 0.010 0.000 2.159 337 M HA -0.105 4.374 4.480 -0.000 0.000 0.263 337 M C 2.469 178.783 176.300 0.024 0.000 1.063 337 M CA 1.975 57.290 55.300 0.025 0.000 1.110 337 M CB -1.121 31.503 32.600 0.042 0.000 1.374 337 M HN 0.261 nan 8.290 nan 0.000 0.411 338 T N -3.466 111.093 114.554 0.009 0.000 3.065 338 T HA 0.129 4.479 4.350 -0.000 0.000 0.252 338 T C 0.812 175.507 174.700 -0.008 0.000 1.099 338 T CA 0.054 62.156 62.100 0.003 0.000 1.063 338 T CB 0.075 68.930 68.868 -0.022 0.000 0.948 338 T HN 0.423 nan 8.240 nan 0.000 0.506 339 K N 0.073 120.467 120.400 -0.011 0.000 3.230 339 K HA -0.105 4.215 4.320 -0.000 0.000 0.285 339 K C -0.706 175.882 176.600 -0.021 0.000 1.196 339 K CA 0.220 56.501 56.287 -0.010 0.000 0.838 339 K CB -2.295 30.204 32.500 -0.002 0.000 1.262 339 K HN 0.382 nan 8.250 nan 0.000 0.492 340 V N 1.155 121.046 119.914 -0.038 0.000 2.435 340 V HA 0.217 4.336 4.120 -0.000 0.000 0.290 340 V C 0.677 176.743 176.094 -0.046 0.000 1.030 340 V CA -0.596 61.675 62.300 -0.049 0.000 0.881 340 V CB 1.792 33.569 31.823 -0.078 0.000 0.983 340 V HN 0.305 nan 8.190 nan 0.000 0.445 341 S N 3.599 119.287 115.700 -0.019 0.000 2.549 341 S HA 0.246 4.716 4.470 -0.000 0.000 0.286 341 S C 1.482 176.090 174.600 0.013 0.000 1.314 341 S CA 0.119 58.336 58.200 0.028 0.000 1.062 341 S CB 1.104 64.341 63.200 0.061 0.000 0.865 341 S HN 1.040 nan 8.310 nan 0.000 0.498 342 A N 5.058 127.887 122.820 0.014 0.000 1.978 342 A HA -0.059 4.260 4.320 -0.000 0.000 0.220 342 A C 1.613 179.168 177.584 -0.048 0.000 1.170 342 A CA 1.565 53.545 52.037 -0.096 0.000 0.636 342 A CB -0.959 17.974 19.000 -0.112 0.000 0.810 342 A HN 0.964 nan 8.150 nan 0.000 0.448 343 Y N -0.402 119.869 120.300 -0.048 0.000 2.128 343 Y HA -0.205 4.345 4.550 -0.001 0.000 0.284 343 Y C 2.517 178.360 175.900 -0.096 0.000 1.154 343 Y CA 1.922 60.000 58.100 -0.038 0.000 1.149 343 Y CB -0.282 38.154 38.460 -0.040 0.000 0.976 343 Y HN 0.518 nan 8.280 nan 0.000 0.505 344 E N 0.139 120.388 120.200 0.082 0.000 2.072 344 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 344 E C 2.103 178.688 176.600 -0.025 0.000 0.982 344 E CA 0.730 57.131 56.400 0.002 0.000 0.803 344 E CB -0.234 29.458 29.700 -0.014 0.000 0.755 344 E HN 0.423 nan 8.360 nan 0.000 0.453 345 L N 1.300 122.472 121.223 -0.086 0.000 1.990 345 L HA -0.230 4.109 4.340 -0.000 0.000 0.213 345 L C 2.761 179.617 176.870 -0.024 0.000 1.072 345 L CA 1.721 56.465 54.840 -0.159 0.000 0.755 345 L CB -0.674 41.090 42.059 -0.490 0.000 0.889 345 L HN 0.399 nan 8.230 nan 0.000 0.432 346 I N -4.114 116.415 120.570 -0.068 0.000 2.617 346 I HA -0.128 4.041 4.170 -0.000 0.000 0.256 346 I C 2.097 178.247 176.117 0.055 0.000 1.167 346 I CA 1.298 62.642 61.300 0.073 0.000 1.469 346 I CB -0.566 37.463 38.000 0.048 0.000 1.098 346 I HN 0.084 nan 8.210 nan 0.000 0.436 347 T N 0.551 115.112 114.554 0.012 0.000 2.939 347 T HA 0.021 4.371 4.350 -0.000 0.000 0.254 347 T C 1.441 176.139 174.700 -0.003 0.000 1.041 347 T CA 0.444 62.530 62.100 -0.023 0.000 1.142 347 T CB -0.168 68.630 68.868 -0.118 0.000 0.874 347 T HN 0.261 nan 8.240 nan 0.000 0.452 348 R N 1.770 122.277 120.500 0.012 0.000 4.496 348 R HA 0.309 4.649 4.340 -0.000 0.000 0.211 348 R C -0.873 175.458 176.300 0.051 0.000 1.738 348 R CA -0.090 56.022 56.100 0.021 0.000 1.528 348 R CB -0.914 29.391 30.300 0.009 0.000 1.414 348 R HN 0.314 nan 8.270 nan 0.000 0.812 349 L N 0.853 122.106 121.223 0.050 0.000 2.334 349 L HA 0.457 4.796 4.340 -0.000 0.000 0.272 349 L C 0.853 177.744 176.870 0.035 0.000 1.020 349 L CA -0.955 53.917 54.840 0.053 0.000 0.812 349 L CB 1.927 44.010 42.059 0.041 0.000 1.264 349 L HN 0.359 nan 8.230 nan 0.000 0.439 350 T N -2.788 111.787 114.554 0.034 0.000 2.849 350 T HA 0.140 4.490 4.350 -0.000 0.000 0.276 350 T C 1.067 175.775 174.700 0.014 0.000 0.971 350 T CA -0.093 62.023 62.100 0.027 0.000 0.949 350 T CB 1.316 70.204 68.868 0.034 0.000 1.093 350 T HN 0.661 nan 8.240 nan 0.000 0.545 351 S N -0.883 114.825 115.700 0.014 0.000 2.561 351 S HA -0.012 4.458 4.470 -0.000 0.000 0.225 351 S C 1.844 176.445 174.600 0.001 0.000 0.977 351 S CA 0.008 58.214 58.200 0.010 0.000 0.926 351 S CB -0.567 62.641 63.200 0.013 0.000 0.769 351 S HN 0.761 nan 8.310 nan 0.000 0.533 352 R N 1.213 121.711 120.500 -0.003 0.000 2.148 352 R HA 0.081 4.421 4.340 -0.000 0.000 0.223 352 R C -0.197 176.087 176.300 -0.026 0.000 1.088 352 R CA 0.478 56.570 56.100 -0.014 0.000 0.985 352 R CB -0.213 30.077 30.300 -0.016 0.000 0.880 352 R HN 0.342 nan 8.270 nan 0.000 0.451 353 V N 2.303 122.199 119.914 -0.030 0.000 2.508 353 V HA 0.193 4.313 4.120 -0.000 0.000 0.281 353 V C 0.486 176.553 176.094 -0.045 0.000 1.041 353 V CA -0.326 61.943 62.300 -0.051 0.000 1.016 353 V CB 0.964 32.748 31.823 -0.064 0.000 0.984 353 V HN 0.301 nan 8.190 nan 0.000 0.478 354 A N 7.538 130.326 122.820 -0.053 0.000 2.388 354 A HA 0.652 4.971 4.320 -0.000 0.000 0.257 354 A C -0.003 177.543 177.584 -0.062 0.000 1.095 354 A CA -0.406 51.606 52.037 -0.042 0.000 0.791 354 A CB 0.215 19.191 19.000 -0.041 0.000 1.029 354 A HN 0.717 nan 8.150 nan 0.000 0.489 355 M N 2.092 121.669 119.600 -0.038 0.000 2.238 355 M HA 0.416 4.896 4.480 -0.000 0.000 0.350 355 M C -0.164 176.072 176.300 -0.106 0.000 1.138 355 M CA -0.005 55.241 55.300 -0.090 0.000 1.040 355 M CB 1.036 33.650 32.600 0.024 0.000 1.639 355 M HN 0.775 nan 8.290 nan 0.000 0.451 356 K N 2.810 123.043 120.400 -0.279 0.000 2.427 356 K HA 0.550 4.870 4.320 -0.000 0.000 0.252 356 K C -2.091 174.262 176.600 -0.413 0.000 0.931 356 K CA -0.442 55.731 56.287 -0.190 0.000 0.793 356 K CB 1.911 34.347 32.500 -0.106 0.000 1.211 356 K HN 0.546 nan 8.250 nan 0.000 0.426 357 Y N 2.481 122.795 120.300 0.024 0.000 2.341 357 Y HA 0.376 4.926 4.550 -0.000 0.000 0.338 357 Y C -0.022 175.896 175.900 0.030 0.000 0.965 357 Y CA -0.833 57.288 58.100 0.036 0.000 1.108 357 Y CB 2.001 40.484 38.460 0.039 0.000 1.180 357 Y HN 0.296 nan 8.280 nan 0.000 0.458 358 V N -0.787 119.208 119.914 0.135 0.000 3.046 358 V HA 0.684 4.804 4.120 -0.000 0.000 0.316 358 V C -0.816 175.335 176.094 0.094 0.000 1.104 358 V CA -0.718 61.637 62.300 0.091 0.000 1.006 358 V CB 2.363 34.214 31.823 0.046 0.000 1.058 358 V HN 0.664 nan 8.190 nan 0.000 0.440 359 D N 0.000 120.441 120.400 0.069 0.000 6.856 359 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 359 D CA 0.000 54.035 54.000 0.059 0.000 0.868 359 D CB 0.000 40.833 40.800 0.055 0.000 0.688 359 D HN 0.000 nan 8.370 nan 0.000 0.683