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 1do0_1_B DATA FIRST_RESID 2 DATA SEQUENCE SEMTPREIVS ELDKHIIGQD NAKRSVAIAL RNRWRRMQLN EELRHEVTPK DATA SEQUENCE NILMIGPTGV GKTEIARRLA KLANAPFIKV EATKFTEVGY VGKEVDSIIR DATA SEQUENCE DLTDAAVKMV RVQAIEKNRY RAEELAEERI LDVLIPPAKN NWGQTEQQQE DATA SEQUENCE PSAARQAFRK KLREGQLDDK EIEIDXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XARKLKIKDA MKLLIEEEAA KLVNPEELKQ DAIDAVEQHG DATA SEQUENCE IVFIDEIDKI CKRGESSGPD VSREGVQRDL LPLVEGCTVS TKHGMVKTDH DATA SEQUENCE ILFIASGAFQ IAKPSDLIPE LQGRLPIRVE LQALTTSDFE RILTEPNASI DATA SEQUENCE TVQYKALMAT EGVNIEFTDS GIKRIAEAAW QVNESTENIG ARRLHTVLER DATA SEQUENCE LMEEISYDAS DLSGQNITID ADYVSKHLDA LVADEDLSRF IL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.568 174.600 -0.053 0.000 1.055 2 S CA 0.000 58.175 58.200 -0.041 0.000 1.107 2 S CB 0.000 63.177 63.200 -0.038 0.000 0.593 3 E N 3.550 123.703 120.200 -0.078 0.000 1.996 3 E HA 0.345 4.695 4.350 -0.000 0.000 0.280 3 E C 0.071 176.518 176.600 -0.255 0.000 1.092 3 E CA 0.082 56.396 56.400 -0.144 0.000 0.862 3 E CB 0.135 29.724 29.700 -0.185 0.000 1.066 3 E HN 0.660 nan 8.360 nan 0.000 0.396 4 M N -0.087 119.408 119.600 -0.174 0.000 2.573 4 M HA 0.474 4.953 4.480 -0.000 0.000 0.309 4 M C 0.582 176.777 176.300 -0.175 0.000 1.202 4 M CA -0.994 54.202 55.300 -0.174 0.000 0.975 4 M CB 1.121 33.660 32.600 -0.102 0.000 1.600 4 M HN 0.130 nan 8.290 nan 0.000 0.479 5 T N -1.413 113.043 114.554 -0.164 0.000 2.899 5 T HA 0.306 4.656 4.350 -0.000 0.000 0.295 5 T C -2.097 172.570 174.700 -0.056 0.000 1.033 5 T CA -1.194 60.833 62.100 -0.122 0.000 1.084 5 T CB 0.748 69.551 68.868 -0.109 0.000 0.979 5 T HN 0.504 nan 8.240 nan 0.000 0.532 6 P HA -0.166 nan 4.420 nan 0.000 0.216 6 P C 1.719 179.017 177.300 -0.003 0.000 1.167 6 P CA 1.372 64.473 63.100 0.002 0.000 0.914 6 P CB -0.002 31.710 31.700 0.019 0.000 0.793 7 R N -0.019 120.476 120.500 -0.008 0.000 2.103 7 R HA -0.204 4.136 4.340 -0.000 0.000 0.242 7 R C 2.202 178.494 176.300 -0.014 0.000 1.142 7 R CA 1.928 58.023 56.100 -0.008 0.000 0.960 7 R CB -0.419 29.875 30.300 -0.010 0.000 0.858 7 R HN 0.300 nan 8.270 nan 0.000 0.439 8 E N 0.164 120.348 120.200 -0.026 0.000 2.031 8 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 8 E C 2.118 178.706 176.600 -0.019 0.000 0.994 8 E CA 1.520 57.902 56.400 -0.029 0.000 0.800 8 E CB -0.269 29.403 29.700 -0.047 0.000 0.752 8 E HN 0.405 nan 8.360 nan 0.000 0.447 9 I N 1.336 121.896 120.570 -0.018 0.000 2.248 9 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 9 I C 2.347 178.467 176.117 0.005 0.000 1.107 9 I CA 0.905 62.202 61.300 -0.006 0.000 1.373 9 I CB -0.283 37.716 38.000 -0.000 0.000 1.055 9 I HN -0.013 nan 8.210 nan 0.000 0.418 10 V N -0.186 119.732 119.914 0.006 0.000 2.667 10 V HA -0.189 3.931 4.120 -0.000 0.000 0.252 10 V C 2.393 178.492 176.094 0.009 0.000 1.065 10 V CA 1.733 64.040 62.300 0.012 0.000 1.083 10 V CB -0.250 31.580 31.823 0.012 0.000 0.692 10 V HN 0.367 nan 8.190 nan 0.000 0.468 11 S N -0.528 115.172 115.700 0.001 0.000 2.406 11 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 11 S C 1.963 176.561 174.600 -0.003 0.000 1.020 11 S CA 0.941 59.138 58.200 -0.006 0.000 0.965 11 S CB -0.138 63.054 63.200 -0.013 0.000 0.798 11 S HN 0.572 nan 8.310 nan 0.000 0.488 12 E N 1.210 121.417 120.200 0.011 0.000 2.028 12 E HA 0.013 4.363 4.350 -0.000 0.000 0.190 12 E C 2.089 178.740 176.600 0.084 0.000 0.984 12 E CA 0.512 56.935 56.400 0.037 0.000 0.800 12 E CB -0.649 29.079 29.700 0.046 0.000 0.758 12 E HN 0.253 nan 8.360 nan 0.000 0.448 13 L N 2.114 123.380 121.223 0.071 0.000 2.051 13 L HA -0.224 4.116 4.340 -0.000 0.000 0.214 13 L C 1.724 178.637 176.870 0.072 0.000 1.076 13 L CA 1.749 56.639 54.840 0.082 0.000 0.758 13 L CB -0.927 41.157 42.059 0.041 0.000 0.890 13 L HN 0.058 nan 8.230 nan 0.000 0.433 14 D N -0.652 119.765 120.400 0.029 0.000 2.221 14 D HA -0.174 4.466 4.640 -0.000 0.000 0.204 14 D C 2.085 178.364 176.300 -0.036 0.000 0.982 14 D CA 0.866 54.867 54.000 0.003 0.000 0.857 14 D CB 0.004 40.800 40.800 -0.007 0.000 0.934 14 D HN 0.392 nan 8.370 nan 0.000 0.475 15 K N -0.474 119.873 120.400 -0.088 0.000 2.365 15 K HA -0.028 4.292 4.320 -0.000 0.000 0.199 15 K C 0.988 177.328 176.600 -0.433 0.000 1.045 15 K CA 0.726 56.846 56.287 -0.278 0.000 0.962 15 K CB 0.204 32.462 32.500 -0.403 0.000 0.759 15 K HN 0.399 nan 8.250 nan 0.000 0.469 16 H N -1.089 117.970 119.070 -0.018 0.000 3.233 16 H HA 0.297 4.853 4.556 -0.000 0.000 0.263 16 H C -0.167 175.154 175.328 -0.012 0.000 1.168 16 H CA 0.008 56.044 56.048 -0.020 0.000 1.159 16 H CB 1.029 30.771 29.762 -0.033 0.000 1.593 16 H HN -0.021 nan 8.280 nan 0.000 0.580 17 I N 1.750 122.377 120.570 0.094 0.000 2.548 17 I HA 0.183 4.353 4.170 -0.000 0.000 0.287 17 I C -0.910 175.237 176.117 0.049 0.000 1.103 17 I CA -0.923 60.418 61.300 0.068 0.000 1.049 17 I CB 2.498 40.535 38.000 0.061 0.000 1.232 17 I HN -0.181 nan 8.210 nan 0.000 0.429 18 I N 5.528 126.130 120.570 0.053 0.000 2.416 18 I HA 0.576 4.746 4.170 -0.000 0.000 0.288 18 I C 1.075 177.225 176.117 0.056 0.000 1.051 18 I CA 1.050 62.381 61.300 0.050 0.000 1.375 18 I CB 0.539 38.576 38.000 0.062 0.000 1.407 18 I HN 0.868 nan 8.210 nan 0.000 0.516 19 G N 5.146 113.973 108.800 0.044 0.000 2.562 19 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.250 19 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.250 19 G C -0.225 174.702 174.900 0.046 0.000 1.269 19 G CA -0.237 44.889 45.100 0.044 0.000 0.919 19 G HN 0.668 nan 8.290 nan 0.000 0.574 20 Q N -1.094 118.735 119.800 0.050 0.000 2.435 20 Q HA -0.224 4.116 4.340 -0.000 0.000 0.312 20 Q C 0.822 176.850 176.000 0.046 0.000 1.333 20 Q CA 1.815 57.650 55.803 0.053 0.000 0.883 20 Q CB -1.785 26.991 28.738 0.063 0.000 1.170 20 Q HN 0.953 nan 8.270 nan 0.000 0.443 21 D N 0.483 120.906 120.400 0.038 0.000 2.097 21 D HA -0.132 4.508 4.640 -0.000 0.000 0.195 21 D C 1.433 177.754 176.300 0.035 0.000 0.989 21 D CA 1.960 55.979 54.000 0.032 0.000 0.827 21 D CB 0.018 40.833 40.800 0.026 0.000 0.966 21 D HN 0.574 nan 8.370 nan 0.000 0.456 22 N N -0.506 118.215 118.700 0.036 0.000 2.061 22 N HA -0.236 4.504 4.740 -0.000 0.000 0.193 22 N C 1.801 177.338 175.510 0.045 0.000 1.030 22 N CA 1.125 54.197 53.050 0.037 0.000 0.856 22 N CB -0.172 38.337 38.487 0.036 0.000 1.023 22 N HN 0.224 nan 8.380 nan 0.000 0.424 23 A N 1.505 124.357 122.820 0.053 0.000 1.902 23 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 23 A C 2.016 179.636 177.584 0.060 0.000 1.181 23 A CA 1.353 53.429 52.037 0.065 0.000 0.623 23 A CB -0.323 18.723 19.000 0.077 0.000 0.818 23 A HN 0.204 nan 8.150 nan 0.000 0.443 24 K N -0.530 119.900 120.400 0.050 0.000 2.063 24 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 24 K C 2.288 178.912 176.600 0.040 0.000 1.048 24 K CA 1.653 57.965 56.287 0.042 0.000 0.928 24 K CB -0.208 32.313 32.500 0.035 0.000 0.713 24 K HN 0.419 nan 8.250 nan 0.000 0.442 25 R N 0.415 120.937 120.500 0.037 0.000 2.075 25 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 25 R C 2.538 178.863 176.300 0.042 0.000 1.126 25 R CA 1.345 57.466 56.100 0.035 0.000 0.963 25 R CB -0.259 30.060 30.300 0.031 0.000 0.858 25 R HN 0.065 nan 8.270 nan 0.000 0.435 26 S N 0.555 116.283 115.700 0.047 0.000 2.351 26 S HA -0.161 4.309 4.470 -0.000 0.000 0.220 26 S C 2.040 176.676 174.600 0.061 0.000 1.035 26 S CA 1.458 59.691 58.200 0.054 0.000 1.031 26 S CB -0.436 62.800 63.200 0.059 0.000 0.928 26 S HN 0.136 nan 8.310 nan 0.000 0.433 27 V N 1.676 121.630 119.914 0.066 0.000 2.392 27 V HA -0.208 3.912 4.120 -0.000 0.000 0.249 27 V C 2.440 178.570 176.094 0.059 0.000 1.059 27 V CA 1.827 64.170 62.300 0.071 0.000 1.051 27 V CB -0.945 30.921 31.823 0.071 0.000 0.658 27 V HN 0.515 nan 8.190 nan 0.000 0.455 28 A N -0.314 122.535 122.820 0.048 0.000 1.873 28 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 28 A C 2.124 179.739 177.584 0.051 0.000 1.186 28 A CA 1.983 54.045 52.037 0.042 0.000 0.616 28 A CB -0.559 18.459 19.000 0.030 0.000 0.823 28 A HN 0.534 nan 8.150 nan 0.000 0.442 29 I N -0.166 120.436 120.570 0.053 0.000 2.118 29 I HA -0.379 3.791 4.170 -0.000 0.000 0.241 29 I C 3.042 179.201 176.117 0.070 0.000 1.070 29 I CA 1.318 62.654 61.300 0.059 0.000 1.327 29 I CB -0.564 37.468 38.000 0.053 0.000 1.034 29 I HN 0.405 nan 8.210 nan 0.000 0.405 30 A N 1.019 123.881 122.820 0.070 0.000 1.859 30 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 30 A C 2.401 180.035 177.584 0.084 0.000 1.209 30 A CA 1.873 53.956 52.037 0.077 0.000 0.639 30 A CB -1.195 17.855 19.000 0.083 0.000 0.835 30 A HN 0.474 nan 8.150 nan 0.000 0.450 31 L N -1.018 120.254 121.223 0.082 0.000 2.021 31 L HA -0.278 4.062 4.340 -0.000 0.000 0.215 31 L C 2.735 179.670 176.870 0.109 0.000 1.074 31 L CA 2.748 57.641 54.840 0.088 0.000 0.760 31 L CB -0.567 41.532 42.059 0.067 0.000 0.889 31 L HN 0.515 nan 8.230 nan 0.000 0.433 32 R N 0.769 121.332 120.500 0.105 0.000 2.105 32 R HA -0.198 4.142 4.340 -0.000 0.000 0.239 32 R C 1.745 178.169 176.300 0.206 0.000 1.135 32 R CA 2.237 58.427 56.100 0.149 0.000 0.967 32 R CB -0.717 29.654 30.300 0.119 0.000 0.861 32 R HN 0.488 nan 8.270 nan 0.000 0.442 33 N N -0.138 118.643 118.700 0.134 0.000 2.364 33 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 33 N C 1.380 176.930 175.510 0.066 0.000 1.022 33 N CA 1.070 54.177 53.050 0.095 0.000 0.883 33 N CB -0.030 38.490 38.487 0.056 0.000 0.965 33 N HN 0.222 nan 8.380 nan 0.000 0.438 34 R N -0.810 119.745 120.500 0.091 0.000 2.120 34 R HA -0.133 4.206 4.340 -0.000 0.000 0.234 34 R C 1.671 178.015 176.300 0.074 0.000 1.123 34 R CA 1.124 57.252 56.100 0.047 0.000 0.975 34 R CB -0.374 29.969 30.300 0.070 0.000 0.866 34 R HN 0.470 nan 8.270 nan 0.000 0.446 35 W N 2.034 123.330 121.300 -0.008 0.000 2.476 35 W HA -0.023 4.636 4.660 -0.000 0.000 0.281 35 W C 1.839 178.346 176.519 -0.020 0.000 1.230 35 W CA 0.752 58.093 57.345 -0.007 0.000 1.287 35 W CB 0.049 29.513 29.460 0.006 0.000 1.108 35 W HN -0.162 nan 8.180 nan 0.000 0.567 36 R N 0.072 120.440 120.500 -0.221 0.000 2.075 36 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 36 R C 2.367 178.437 176.300 -0.384 0.000 1.126 36 R CA 1.597 57.423 56.100 -0.457 0.000 0.963 36 R CB -0.651 29.573 30.300 -0.126 0.000 0.858 36 R HN 0.174 nan 8.270 nan 0.000 0.435 37 R N 0.562 120.918 120.500 -0.241 0.000 2.105 37 R HA -0.120 4.220 4.340 -0.000 0.000 0.239 37 R C 1.923 178.063 176.300 -0.266 0.000 1.135 37 R CA 1.429 57.396 56.100 -0.221 0.000 0.967 37 R CB -0.010 30.176 30.300 -0.189 0.000 0.861 37 R HN 0.063 nan 8.270 nan 0.000 0.442 38 M N 0.792 120.216 119.600 -0.293 0.000 2.213 38 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 38 M C 1.847 177.978 176.300 -0.282 0.000 1.062 38 M CA 1.447 56.589 55.300 -0.263 0.000 1.105 38 M CB -0.712 31.762 32.600 -0.209 0.000 1.385 38 M HN 0.175 nan 8.290 nan 0.000 0.417 39 Q N 0.255 119.811 119.800 -0.406 0.000 2.436 39 Q HA 0.142 4.482 4.340 -0.000 0.000 0.209 39 Q C 0.879 176.738 176.000 -0.234 0.000 0.965 39 Q CA 0.411 56.001 55.803 -0.354 0.000 0.910 39 Q CB -0.291 28.138 28.738 -0.515 0.000 0.980 39 Q HN 0.481 nan 8.270 nan 0.000 0.491 40 L N 2.123 123.214 121.223 -0.219 0.000 2.456 40 L HA 0.153 4.493 4.340 -0.000 0.000 0.257 40 L C 1.077 177.873 176.870 -0.122 0.000 1.162 40 L CA -0.642 54.105 54.840 -0.155 0.000 0.808 40 L CB 0.294 42.265 42.059 -0.147 0.000 1.136 40 L HN 0.198 nan 8.230 nan 0.000 0.466 41 N N -0.061 118.587 118.700 -0.086 0.000 2.288 41 N HA -0.044 4.696 4.740 -0.000 0.000 0.237 41 N C 0.629 176.107 175.510 -0.053 0.000 1.311 41 N CA -0.649 52.366 53.050 -0.059 0.000 0.909 41 N CB 0.989 39.453 38.487 -0.037 0.000 1.167 41 N HN 0.734 nan 8.380 nan 0.000 0.476 42 E N 0.310 120.499 120.200 -0.019 0.000 2.021 42 E HA -0.349 4.001 4.350 -0.000 0.000 0.200 42 E C 1.554 178.182 176.600 0.045 0.000 1.015 42 E CA 1.694 58.108 56.400 0.023 0.000 0.824 42 E CB -0.214 29.519 29.700 0.056 0.000 0.762 42 E HN 0.761 nan 8.360 nan 0.000 0.454 43 E N 0.176 120.397 120.200 0.035 0.000 2.045 43 E HA -0.258 4.092 4.350 -0.000 0.000 0.212 43 E C 2.396 179.015 176.600 0.031 0.000 1.039 43 E CA 2.150 58.575 56.400 0.041 0.000 0.860 43 E CB -0.285 29.426 29.700 0.018 0.000 0.776 43 E HN 0.319 nan 8.360 nan 0.000 0.467 44 L N -0.006 121.213 121.223 -0.007 0.000 2.042 44 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 44 L C 2.927 179.763 176.870 -0.057 0.000 1.076 44 L CA 1.278 56.102 54.840 -0.026 0.000 0.749 44 L CB -0.527 41.505 42.059 -0.045 0.000 0.893 44 L HN 0.180 nan 8.230 nan 0.000 0.432 45 R N -0.733 119.700 120.500 -0.111 0.000 2.139 45 R HA -0.160 4.180 4.340 -0.000 0.000 0.243 45 R C 1.495 177.618 176.300 -0.295 0.000 1.145 45 R CA 1.171 57.127 56.100 -0.240 0.000 0.976 45 R CB -0.075 30.035 30.300 -0.318 0.000 0.866 45 R HN 0.449 nan 8.270 nan 0.000 0.449 46 H N -0.974 118.096 119.070 -0.000 0.000 2.505 46 H HA 0.152 4.708 4.556 -0.000 0.000 0.289 46 H C 0.748 176.109 175.328 0.055 0.000 1.052 46 H CA 0.130 56.212 56.048 0.057 0.000 1.156 46 H CB 0.961 30.756 29.762 0.054 0.000 1.507 46 H HN 0.183 nan 8.280 nan 0.000 0.548 47 E N 0.211 120.471 120.200 0.100 0.000 2.391 47 E HA 0.094 4.444 4.350 -0.000 0.000 0.206 47 E C 0.436 177.068 176.600 0.052 0.000 0.851 47 E CA 0.169 56.611 56.400 0.070 0.000 1.059 47 E CB 0.984 30.707 29.700 0.039 0.000 1.065 47 E HN 0.002 nan 8.360 nan 0.000 0.512 48 V N 4.115 124.043 119.914 0.024 0.000 2.397 48 V HA 0.055 4.175 4.120 -0.000 0.000 0.262 48 V C 0.788 176.913 176.094 0.051 0.000 1.047 48 V CA 0.192 62.499 62.300 0.011 0.000 1.003 48 V CB 0.042 31.842 31.823 -0.038 0.000 1.037 48 V HN 0.209 nan 8.190 nan 0.000 0.480 49 T N 4.362 118.960 114.554 0.075 0.000 2.897 49 T HA 0.602 4.951 4.350 -0.000 0.000 0.278 49 T C -2.629 172.134 174.700 0.105 0.000 0.981 49 T CA -2.197 59.977 62.100 0.122 0.000 0.973 49 T CB 1.613 70.541 68.868 0.099 0.000 1.092 49 T HN 0.386 nan 8.240 nan 0.000 0.543 50 P HA 0.275 nan 4.420 nan 0.000 0.276 50 P C -0.515 176.850 177.300 0.108 0.000 1.230 50 P CA -0.545 62.630 63.100 0.124 0.000 0.776 50 P CB 0.324 32.123 31.700 0.165 0.000 0.888 51 K N 3.098 123.552 120.400 0.090 0.000 2.307 51 K HA 0.183 4.503 4.320 -0.000 0.000 0.240 51 K C -0.106 176.552 176.600 0.096 0.000 1.214 51 K CA -0.219 56.115 56.287 0.078 0.000 1.149 51 K CB -0.914 31.624 32.500 0.063 0.000 1.668 51 K HN 0.374 nan 8.250 nan 0.000 0.314 52 N N 2.286 121.056 118.700 0.118 0.000 2.353 52 N HA -0.025 4.714 4.740 -0.000 0.000 0.248 52 N C 0.368 175.942 175.510 0.106 0.000 1.240 52 N CA 0.379 53.519 53.050 0.149 0.000 0.862 52 N CB 0.751 39.348 38.487 0.183 0.000 1.086 52 N HN 0.228 nan 8.380 nan 0.000 0.453 53 I N 1.435 122.074 120.570 0.116 0.000 2.577 53 I HA 0.345 4.515 4.170 -0.000 0.000 0.305 53 I C 0.157 176.319 176.117 0.074 0.000 0.986 53 I CA -0.861 60.492 61.300 0.089 0.000 1.189 53 I CB 1.114 39.178 38.000 0.106 0.000 1.355 53 I HN 0.275 nan 8.210 nan 0.000 0.476 54 L N 5.855 127.109 121.223 0.052 0.000 2.372 54 L HA 0.521 4.861 4.340 -0.000 0.000 0.273 54 L C -0.856 176.049 176.870 0.059 0.000 0.989 54 L CA -0.269 54.596 54.840 0.043 0.000 0.841 54 L CB 1.244 43.301 42.059 -0.004 0.000 1.225 54 L HN 0.508 nan 8.230 nan 0.000 0.414 55 M N 5.880 125.540 119.600 0.099 0.000 2.264 55 M HA 0.505 4.985 4.480 -0.000 0.000 0.352 55 M C -0.826 175.576 176.300 0.170 0.000 1.173 55 M CA -0.167 55.209 55.300 0.128 0.000 1.075 55 M CB 1.491 34.195 32.600 0.173 0.000 1.621 55 M HN 0.473 nan 8.290 nan 0.000 0.457 56 I N 2.116 122.773 120.570 0.146 0.000 2.418 56 I HA 0.824 4.994 4.170 -0.000 0.000 0.287 56 I C 0.164 176.374 176.117 0.155 0.000 1.008 56 I CA -0.483 60.934 61.300 0.195 0.000 1.104 56 I CB 1.893 39.957 38.000 0.106 0.000 1.264 56 I HN 0.845 nan 8.210 nan 0.000 0.438 57 G N 5.875 114.774 108.800 0.165 0.000 2.356 57 G HA2 0.514 4.473 3.960 -0.000 0.000 0.294 57 G HA3 0.514 4.473 3.960 -0.000 0.000 0.294 57 G C -3.420 171.543 174.900 0.105 0.000 1.423 57 G CA -0.733 44.440 45.100 0.121 0.000 0.806 57 G HN 0.253 nan 8.290 nan 0.000 0.527 58 P HA 0.400 nan 4.420 nan 0.000 0.279 58 P C 0.302 177.642 177.300 0.067 0.000 1.282 58 P CA -0.206 62.931 63.100 0.062 0.000 0.788 58 P CB 0.403 32.131 31.700 0.048 0.000 1.139 59 T N -1.061 113.523 114.554 0.050 0.000 2.860 59 T HA 0.383 4.733 4.350 -0.000 0.000 0.299 59 T C 0.904 175.641 174.700 0.061 0.000 1.045 59 T CA 0.405 62.536 62.100 0.053 0.000 1.071 59 T CB -0.428 68.460 68.868 0.033 0.000 0.985 59 T HN 0.826 nan 8.240 nan 0.000 0.537 60 G N 0.363 109.198 108.800 0.058 0.000 2.386 60 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.295 60 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.295 60 G C 0.534 175.487 174.900 0.089 0.000 0.979 60 G CA 0.448 45.580 45.100 0.054 0.000 1.193 60 G HN 1.443 nan 8.290 nan 0.000 0.508 61 V N -3.736 116.233 119.914 0.093 0.000 3.485 61 V HA 0.728 4.848 4.120 -0.000 0.000 0.280 61 V C 1.639 177.789 176.094 0.093 0.000 1.495 61 V CA 1.226 63.590 62.300 0.107 0.000 1.018 61 V CB 0.399 32.283 31.823 0.102 0.000 0.818 61 V HN 2.099 nan 8.190 nan 0.000 0.436 62 G N 0.681 109.529 108.800 0.081 0.000 2.318 62 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.172 62 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.172 62 G C 0.761 175.701 174.900 0.067 0.000 1.002 62 G CA 0.243 45.382 45.100 0.064 0.000 0.697 62 G HN 0.387 nan 8.290 nan 0.000 0.483 63 K N 0.350 120.819 120.400 0.115 0.000 2.032 63 K HA -0.172 4.148 4.320 -0.000 0.000 0.218 63 K C 2.499 179.170 176.600 0.118 0.000 1.054 63 K CA 2.301 58.703 56.287 0.190 0.000 0.941 63 K CB -0.528 32.151 32.500 0.299 0.000 0.720 63 K HN 0.398 nan 8.250 nan 0.000 0.449 64 T N 0.678 115.202 114.554 -0.050 0.000 2.812 64 T HA -0.131 4.219 4.350 -0.000 0.000 0.264 64 T C 1.810 176.330 174.700 -0.300 0.000 1.042 64 T CA 1.365 63.185 62.100 -0.466 0.000 1.140 64 T CB -0.203 68.404 68.868 -0.435 0.000 0.870 64 T HN 0.238 nan 8.240 nan 0.000 0.445 65 E N 1.392 121.503 120.200 -0.148 0.000 2.085 65 E HA -0.093 4.256 4.350 -0.000 0.000 0.194 65 E C 1.941 178.455 176.600 -0.143 0.000 0.994 65 E CA 1.059 57.381 56.400 -0.129 0.000 0.801 65 E CB -0.626 29.044 29.700 -0.050 0.000 0.743 65 E HN 0.545 nan 8.360 nan 0.000 0.453 66 I N -0.027 120.495 120.570 -0.079 0.000 2.361 66 I HA -0.270 3.900 4.170 -0.000 0.000 0.251 66 I C 2.237 178.294 176.117 -0.101 0.000 1.133 66 I CA 1.032 62.302 61.300 -0.050 0.000 1.413 66 I CB -0.354 37.661 38.000 0.025 0.000 1.073 66 I HN 0.174 nan 8.210 nan 0.000 0.424 67 A N 0.662 123.392 122.820 -0.150 0.000 1.970 67 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 67 A C 2.407 179.606 177.584 -0.641 0.000 1.170 67 A CA 0.858 52.780 52.037 -0.192 0.000 0.645 67 A CB -0.315 18.704 19.000 0.033 0.000 0.816 67 A HN 0.267 nan 8.150 nan 0.000 0.447 68 R N -0.600 119.448 120.500 -0.754 0.000 2.064 68 R HA -0.048 4.292 4.340 -0.000 0.000 0.228 68 R C 2.271 178.248 176.300 -0.539 0.000 1.144 68 R CA 1.202 56.755 56.100 -0.912 0.000 0.932 68 R CB -0.381 29.593 30.300 -0.542 0.000 0.833 68 R HN 0.304 nan 8.270 nan 0.000 0.429 69 R N 1.145 121.422 120.500 -0.372 0.000 2.139 69 R HA -0.133 4.207 4.340 -0.000 0.000 0.243 69 R C 2.167 178.338 176.300 -0.215 0.000 1.145 69 R CA 0.894 56.816 56.100 -0.297 0.000 0.976 69 R CB -0.874 29.283 30.300 -0.239 0.000 0.866 69 R HN 0.296 nan 8.270 nan 0.000 0.449 70 L N 0.418 121.519 121.223 -0.203 0.000 2.156 70 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 70 L C 1.940 178.738 176.870 -0.120 0.000 1.095 70 L CA 1.703 56.473 54.840 -0.118 0.000 0.770 70 L CB -0.731 41.289 42.059 -0.065 0.000 0.914 70 L HN 0.104 nan 8.230 nan 0.000 0.439 71 A N -0.152 122.536 122.820 -0.220 0.000 1.930 71 A HA -0.173 4.147 4.320 -0.000 0.000 0.215 71 A C 2.193 179.706 177.584 -0.118 0.000 1.176 71 A CA 1.177 53.127 52.037 -0.145 0.000 0.632 71 A CB -0.226 18.639 19.000 -0.226 0.000 0.819 71 A HN 0.293 nan 8.150 nan 0.000 0.445 72 K N 0.098 120.393 120.400 -0.175 0.000 1.985 72 K HA -0.123 4.197 4.320 -0.000 0.000 0.210 72 K C 1.730 178.273 176.600 -0.094 0.000 1.047 72 K CA 1.659 57.865 56.287 -0.135 0.000 0.932 72 K CB -0.677 31.716 32.500 -0.178 0.000 0.716 72 K HN 0.546 nan 8.250 nan 0.000 0.439 73 L N -1.705 119.465 121.223 -0.089 0.000 2.450 73 L HA 0.100 4.439 4.340 -0.000 0.000 0.224 73 L C 1.708 178.550 176.870 -0.046 0.000 1.149 73 L CA 1.804 56.612 54.840 -0.054 0.000 0.816 73 L CB -0.888 41.150 42.059 -0.035 0.000 0.932 73 L HN 0.024 nan 8.230 nan 0.000 0.449 74 A N -0.609 122.183 122.820 -0.047 0.000 2.220 74 A HA 0.054 4.374 4.320 -0.000 0.000 0.211 74 A C 1.096 178.642 177.584 -0.063 0.000 1.176 74 A CA 0.282 52.299 52.037 -0.033 0.000 0.834 74 A CB -0.511 18.491 19.000 0.004 0.000 0.868 74 A HN 0.624 nan 8.150 nan 0.000 0.488 75 N N -0.780 117.882 118.700 -0.063 0.000 2.671 75 N HA -0.172 4.568 4.740 -0.000 0.000 0.261 75 N C -0.213 175.256 175.510 -0.068 0.000 1.053 75 N CA 0.388 53.397 53.050 -0.068 0.000 0.732 75 N CB -0.947 37.491 38.487 -0.082 0.000 0.887 75 N HN 0.716 nan 8.380 nan 0.000 0.546 76 A N 1.641 124.451 122.820 -0.017 0.000 2.401 76 A HA 0.712 5.031 4.320 -0.000 0.000 0.310 76 A C -2.505 175.127 177.584 0.081 0.000 1.075 76 A CA -1.201 50.858 52.037 0.037 0.000 0.746 76 A CB 1.527 20.585 19.000 0.097 0.000 1.277 76 A HN 0.207 nan 8.150 nan 0.000 0.425 77 P HA 0.204 nan 4.420 nan 0.000 0.266 77 P C -0.993 176.398 177.300 0.152 0.000 1.215 77 P CA 0.542 63.696 63.100 0.090 0.000 0.763 77 P CB 0.158 31.887 31.700 0.049 0.000 0.806 78 F N 5.193 125.136 119.950 -0.012 0.000 2.557 78 F HA 0.752 5.279 4.527 -0.000 0.000 0.336 78 F C -0.542 175.261 175.800 0.005 0.000 1.058 78 F CA -1.355 56.640 58.000 -0.008 0.000 0.988 78 F CB 1.407 40.396 39.000 -0.018 0.000 1.275 78 F HN 0.239 nan 8.300 nan 0.000 0.488 79 I N 3.044 122.896 120.570 -1.197 0.000 2.744 79 I HA 0.197 4.367 4.170 -0.000 0.000 0.285 79 I C -1.668 173.991 176.117 -0.763 0.000 1.530 79 I CA -0.480 60.386 61.300 -0.723 0.000 1.064 79 I CB 1.438 39.266 38.000 -0.287 0.000 1.429 79 I HN 0.660 nan 8.210 nan 0.000 0.425 80 K N 6.358 126.522 120.400 -0.393 0.000 2.118 80 K HA 0.867 5.187 4.320 -0.000 0.000 0.267 80 K C -1.612 175.008 176.600 0.032 0.000 0.991 80 K CA -0.508 55.743 56.287 -0.060 0.000 0.916 80 K CB 1.474 34.001 32.500 0.045 0.000 1.041 80 K HN 0.396 nan 8.250 nan 0.000 0.455 81 V N 1.570 121.564 119.914 0.134 0.000 2.817 81 V HA 0.270 4.390 4.120 -0.000 0.000 0.303 81 V C -1.096 175.077 176.094 0.132 0.000 1.151 81 V CA -1.193 61.180 62.300 0.123 0.000 0.929 81 V CB 1.609 33.541 31.823 0.182 0.000 1.030 81 V HN 0.729 nan 8.190 nan 0.000 0.427 82 E N 2.155 122.398 120.200 0.072 0.000 2.259 82 E HA 0.484 4.834 4.350 -0.000 0.000 0.281 82 E C 1.123 177.772 176.600 0.083 0.000 1.037 82 E CA 0.283 56.714 56.400 0.052 0.000 0.854 82 E CB 2.008 31.705 29.700 -0.006 0.000 1.051 82 E HN 0.854 nan 8.360 nan 0.000 0.409 83 A N 3.230 126.109 122.820 0.099 0.000 1.940 83 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 83 A C 2.005 179.696 177.584 0.178 0.000 1.176 83 A CA 2.238 54.372 52.037 0.161 0.000 0.631 83 A CB -0.755 18.288 19.000 0.072 0.000 0.814 83 A HN 0.668 nan 8.150 nan 0.000 0.446 84 T N -1.703 112.886 114.554 0.059 0.000 3.007 84 T HA -0.095 4.255 4.350 -0.000 0.000 0.270 84 T C 1.613 176.276 174.700 -0.061 0.000 1.107 84 T CA 1.304 63.418 62.100 0.023 0.000 1.118 84 T CB -0.332 68.538 68.868 0.003 0.000 0.889 84 T HN 0.554 nan 8.240 nan 0.000 0.506 85 K N 0.470 120.733 120.400 -0.227 0.000 2.442 85 K HA -0.111 4.209 4.320 -0.000 0.000 0.200 85 K C 0.532 176.705 176.600 -0.713 0.000 1.045 85 K CA 1.114 57.073 56.287 -0.547 0.000 0.937 85 K CB -0.253 31.734 32.500 -0.855 0.000 0.757 85 K HN 0.552 nan 8.250 nan 0.000 0.474 86 F N -0.051 119.910 119.950 0.018 0.000 2.746 86 F HA 0.073 4.600 4.527 -0.000 0.000 0.313 86 F C 0.958 176.758 175.800 0.001 0.000 1.095 86 F CA -0.366 57.641 58.000 0.012 0.000 1.224 86 F CB -0.156 38.845 39.000 0.002 0.000 1.060 86 F HN -0.145 nan 8.300 nan 0.000 0.584 87 T N 1.104 115.731 114.554 0.121 0.000 2.855 87 T HA 0.339 4.689 4.350 -0.000 0.000 0.322 87 T C -0.251 174.432 174.700 -0.027 0.000 1.088 87 T CA -0.218 61.906 62.100 0.039 0.000 1.104 87 T CB 0.787 69.666 68.868 0.017 0.000 0.996 87 T HN 0.452 nan 8.240 nan 0.000 0.549 88 E N -0.012 120.078 120.200 -0.184 0.000 3.097 88 E HA 0.204 4.554 4.350 -0.000 0.000 0.325 88 E C -0.325 175.953 176.600 -0.536 0.000 1.093 88 E CA -0.759 55.327 56.400 -0.524 0.000 0.893 88 E CB 0.700 30.254 29.700 -0.243 0.000 1.209 88 E HN 0.683 nan 8.360 nan 0.000 0.462 89 V N -0.484 118.915 119.914 -0.859 0.000 3.542 89 V HA 0.622 4.742 4.120 -0.000 0.000 0.296 89 V C 0.809 176.727 176.094 -0.293 0.000 1.364 89 V CA 1.096 63.141 62.300 -0.424 0.000 1.118 89 V CB 0.171 31.818 31.823 -0.294 0.000 0.972 89 V HN 1.087 nan 8.190 nan 0.000 0.430 90 G N -1.024 107.567 108.800 -0.349 0.000 3.977 90 G HA2 0.082 4.041 3.960 -0.000 0.000 0.224 90 G HA3 0.082 4.041 3.960 -0.000 0.000 0.224 90 G C -0.324 174.715 174.900 0.232 0.000 0.978 90 G CA -0.063 45.024 45.100 -0.022 0.000 1.222 90 G HN 0.458 nan 8.290 nan 0.000 0.696 91 Y N -1.226 119.077 120.300 0.006 0.000 3.181 91 Y HA 0.673 5.223 4.550 -0.000 0.000 0.405 91 Y C 1.613 177.518 175.900 0.008 0.000 1.202 91 Y CA -0.586 57.516 58.100 0.004 0.000 1.278 91 Y CB 0.424 38.884 38.460 0.000 0.000 1.305 91 Y HN -0.055 nan 8.280 nan 0.000 0.884 92 V N -1.512 118.535 119.914 0.221 0.000 4.771 92 V HA 0.506 4.626 4.120 -0.000 0.000 0.148 92 V C 0.253 176.410 176.094 0.105 0.000 1.138 92 V CA 0.127 62.497 62.300 0.117 0.000 1.282 92 V CB 0.161 32.031 31.823 0.078 0.000 1.742 92 V HN 1.008 nan 8.190 nan 0.000 0.563 93 G N 0.971 109.825 108.800 0.089 0.000 2.796 93 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.571 93 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.571 93 G C -0.544 174.404 174.900 0.080 0.000 1.370 93 G CA 0.093 45.236 45.100 0.070 0.000 0.856 93 G HN 0.382 nan 8.290 nan 0.000 0.538 94 K N -0.417 120.044 120.400 0.101 0.000 2.632 94 K HA 0.550 4.869 4.320 -0.000 0.000 0.267 94 K C -0.351 176.416 176.600 0.279 0.000 1.028 94 K CA -0.734 55.645 56.287 0.154 0.000 1.045 94 K CB 0.900 33.472 32.500 0.121 0.000 1.400 94 K HN 0.465 nan 8.250 nan 0.000 0.522 95 E N 1.103 121.451 120.200 0.247 0.000 2.171 95 E HA 0.122 4.472 4.350 -0.000 0.000 0.271 95 E C 0.870 177.539 176.600 0.115 0.000 0.916 95 E CA -0.318 56.174 56.400 0.153 0.000 0.774 95 E CB 1.908 31.651 29.700 0.073 0.000 1.128 95 E HN 0.296 nan 8.360 nan 0.000 0.403 96 V N 3.803 123.598 119.914 -0.197 0.000 2.370 96 V HA -0.333 3.786 4.120 -0.000 0.000 0.252 96 V C 1.066 177.074 176.094 -0.143 0.000 1.068 96 V CA 2.356 64.368 62.300 -0.480 0.000 1.061 96 V CB -0.507 30.975 31.823 -0.568 0.000 0.656 96 V HN 0.607 nan 8.190 nan 0.000 0.455 97 D N 0.753 121.120 120.400 -0.055 0.000 2.190 97 D HA -0.188 4.452 4.640 -0.000 0.000 0.200 97 D C 2.289 178.616 176.300 0.045 0.000 0.992 97 D CA 1.541 55.540 54.000 -0.001 0.000 0.854 97 D CB -0.488 40.316 40.800 0.007 0.000 0.936 97 D HN 0.645 nan 8.370 nan 0.000 0.462 98 S N 0.628 116.377 115.700 0.083 0.000 2.407 98 S HA -0.256 4.214 4.470 -0.000 0.000 0.235 98 S C 2.048 176.713 174.600 0.109 0.000 1.036 98 S CA 0.811 59.078 58.200 0.111 0.000 1.013 98 S CB -0.854 62.447 63.200 0.169 0.000 0.820 98 S HN 0.353 nan 8.310 nan 0.000 0.476 99 I N 1.172 121.816 120.570 0.123 0.000 2.248 99 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 99 I C 2.028 178.185 176.117 0.067 0.000 1.107 99 I CA 1.181 62.547 61.300 0.110 0.000 1.373 99 I CB -0.418 37.653 38.000 0.119 0.000 1.055 99 I HN 0.318 nan 8.210 nan 0.000 0.418 100 I N -0.007 120.601 120.570 0.063 0.000 2.584 100 I HA -0.096 4.074 4.170 -0.000 0.000 0.255 100 I C 2.536 178.683 176.117 0.051 0.000 1.145 100 I CA 0.997 62.328 61.300 0.051 0.000 1.462 100 I CB -1.216 36.816 38.000 0.054 0.000 1.102 100 I HN 0.226 nan 8.210 nan 0.000 0.433 101 R N 1.356 121.892 120.500 0.060 0.000 2.070 101 R HA -0.162 4.178 4.340 -0.000 0.000 0.232 101 R C 1.818 178.156 176.300 0.063 0.000 1.138 101 R CA 1.571 57.713 56.100 0.070 0.000 0.936 101 R CB -0.906 29.436 30.300 0.070 0.000 0.839 101 R HN 0.327 nan 8.270 nan 0.000 0.429 102 D N 1.278 121.710 120.400 0.053 0.000 2.116 102 D HA -0.183 4.456 4.640 -0.000 0.000 0.193 102 D C 1.944 178.252 176.300 0.013 0.000 0.998 102 D CA 0.786 54.807 54.000 0.035 0.000 0.836 102 D CB -0.467 40.352 40.800 0.031 0.000 0.951 102 D HN 0.086 nan 8.370 nan 0.000 0.449 103 L N 0.621 121.847 121.223 0.004 0.000 2.042 103 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 103 L C 1.967 178.833 176.870 -0.006 0.000 1.076 103 L CA 1.571 56.403 54.840 -0.014 0.000 0.749 103 L CB -0.481 41.564 42.059 -0.024 0.000 0.893 103 L HN 0.122 nan 8.230 nan 0.000 0.432 104 T N -0.793 113.765 114.554 0.006 0.000 2.737 104 T HA -0.167 4.183 4.350 -0.000 0.000 0.265 104 T C 1.396 176.047 174.700 -0.081 0.000 1.038 104 T CA 1.343 63.435 62.100 -0.012 0.000 1.144 104 T CB -0.310 68.581 68.868 0.040 0.000 0.866 104 T HN 0.357 nan 8.240 nan 0.000 0.434 105 D N 1.734 122.109 120.400 -0.041 0.000 2.106 105 D HA -0.099 4.541 4.640 -0.000 0.000 0.191 105 D C 2.387 178.637 176.300 -0.083 0.000 0.997 105 D CA 1.501 55.458 54.000 -0.073 0.000 0.834 105 D CB -0.681 40.133 40.800 0.023 0.000 0.956 105 D HN 0.403 nan 8.370 nan 0.000 0.448 106 A N 0.677 123.475 122.820 -0.036 0.000 2.032 106 A HA -0.130 4.190 4.320 -0.000 0.000 0.221 106 A C 2.249 179.816 177.584 -0.028 0.000 1.165 106 A CA 2.418 54.444 52.037 -0.019 0.000 0.645 106 A CB -0.578 18.424 19.000 0.002 0.000 0.807 106 A HN 0.276 nan 8.150 nan 0.000 0.453 107 A N -0.872 121.919 122.820 -0.049 0.000 1.930 107 A HA 0.165 4.485 4.320 -0.000 0.000 0.215 107 A C 2.169 179.708 177.584 -0.076 0.000 1.176 107 A CA 1.347 53.358 52.037 -0.042 0.000 0.632 107 A CB -0.632 18.350 19.000 -0.031 0.000 0.819 107 A HN 0.357 nan 8.150 nan 0.000 0.445 108 V N 0.451 120.274 119.914 -0.153 0.000 2.307 108 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 108 V C 2.470 178.511 176.094 -0.087 0.000 1.045 108 V CA 2.200 64.395 62.300 -0.175 0.000 1.024 108 V CB -0.709 30.878 31.823 -0.392 0.000 0.651 108 V HN 0.551 nan 8.190 nan 0.000 0.449 109 K N -0.312 120.046 120.400 -0.071 0.000 2.059 109 K HA -0.250 4.070 4.320 -0.000 0.000 0.212 109 K C 2.224 178.811 176.600 -0.022 0.000 1.050 109 K CA 2.232 58.500 56.287 -0.032 0.000 0.927 109 K CB -0.262 32.226 32.500 -0.020 0.000 0.714 109 K HN 0.410 nan 8.250 nan 0.000 0.447 110 M N 0.095 119.681 119.600 -0.023 0.000 2.086 110 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 110 M C 2.254 178.545 176.300 -0.016 0.000 1.067 110 M CA 1.462 56.752 55.300 -0.016 0.000 1.116 110 M CB -0.363 32.229 32.600 -0.014 0.000 1.348 110 M HN -0.040 nan 8.290 nan 0.000 0.407 111 V N 0.429 120.331 119.914 -0.019 0.000 2.295 111 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 111 V C 2.338 178.428 176.094 -0.007 0.000 1.049 111 V CA 1.857 64.149 62.300 -0.012 0.000 1.024 111 V CB -0.859 30.956 31.823 -0.014 0.000 0.648 111 V HN 0.431 nan 8.190 nan 0.000 0.447 112 R N -0.185 120.310 120.500 -0.009 0.000 2.097 112 R HA -0.182 4.157 4.340 -0.000 0.000 0.236 112 R C 2.260 178.561 176.300 0.001 0.000 1.135 112 R CA 1.970 58.070 56.100 -0.000 0.000 0.934 112 R CB -0.950 29.350 30.300 0.000 0.000 0.846 112 R HN 0.418 nan 8.270 nan 0.000 0.431 113 V N 1.207 121.119 119.914 -0.002 0.000 2.250 113 V HA -0.338 3.782 4.120 -0.000 0.000 0.250 113 V C 2.442 178.536 176.094 -0.000 0.000 1.060 113 V CA 2.274 64.573 62.300 -0.002 0.000 1.030 113 V CB -0.678 31.142 31.823 -0.005 0.000 0.643 113 V HN 0.340 nan 8.190 nan 0.000 0.445 114 Q N 0.252 120.050 119.800 -0.003 0.000 2.096 114 Q HA -0.246 4.094 4.340 -0.000 0.000 0.208 114 Q C 2.108 178.111 176.000 0.005 0.000 0.993 114 Q CA 2.615 58.417 55.803 -0.001 0.000 0.862 114 Q CB -0.626 28.109 28.738 -0.005 0.000 0.915 114 Q HN 0.657 nan 8.270 nan 0.000 0.416 115 A N -0.359 122.466 122.820 0.007 0.000 1.897 115 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 115 A C 2.070 179.663 177.584 0.016 0.000 1.181 115 A CA 1.212 53.256 52.037 0.012 0.000 0.620 115 A CB -0.640 18.368 19.000 0.013 0.000 0.821 115 A HN 0.445 nan 8.150 nan 0.000 0.443 116 I N -0.229 120.349 120.570 0.014 0.000 2.045 116 I HA -0.258 3.912 4.170 -0.000 0.000 0.233 116 I C 2.394 178.523 176.117 0.020 0.000 1.048 116 I CA 1.557 62.867 61.300 0.015 0.000 1.313 116 I CB -0.538 37.468 38.000 0.010 0.000 1.043 116 I HN 0.273 nan 8.210 nan 0.000 0.393 117 E N 0.823 121.032 120.200 0.016 0.000 2.273 117 E HA -0.281 4.069 4.350 -0.000 0.000 0.198 117 E C 1.951 178.570 176.600 0.032 0.000 1.002 117 E CA 1.100 57.512 56.400 0.020 0.000 0.828 117 E CB -0.325 29.383 29.700 0.012 0.000 0.747 117 E HN 0.463 nan 8.360 nan 0.000 0.491 118 K N 1.345 121.761 120.400 0.027 0.000 2.025 118 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 118 K C 1.067 177.694 176.600 0.044 0.000 1.049 118 K CA 1.477 57.782 56.287 0.030 0.000 0.933 118 K CB 0.119 32.631 32.500 0.020 0.000 0.714 118 K HN 0.071 nan 8.250 nan 0.000 0.438 119 N N 0.105 118.833 118.700 0.047 0.000 2.598 119 N HA 0.008 4.748 4.740 -0.000 0.000 0.309 119 N C 0.526 176.081 175.510 0.076 0.000 1.645 119 N CA -0.254 52.834 53.050 0.064 0.000 0.936 119 N CB 0.682 39.197 38.487 0.046 0.000 1.323 119 N HN 0.149 nan 8.380 nan 0.000 0.497 120 R N -0.255 120.292 120.500 0.077 0.000 2.090 120 R HA -0.105 4.235 4.340 -0.000 0.000 0.228 120 R C 1.019 177.362 176.300 0.071 0.000 1.110 120 R CA 0.837 56.967 56.100 0.051 0.000 0.973 120 R CB -0.173 30.139 30.300 0.021 0.000 0.869 120 R HN 0.211 nan 8.270 nan 0.000 0.440 121 Y N 1.411 121.715 120.300 0.006 0.000 2.049 121 Y HA -0.251 4.299 4.550 -0.000 0.000 0.277 121 Y C 2.457 178.363 175.900 0.009 0.000 1.143 121 Y CA 1.833 59.937 58.100 0.007 0.000 1.115 121 Y CB -0.275 38.189 38.460 0.007 0.000 0.975 121 Y HN -0.043 nan 8.280 nan 0.000 0.487 122 R N -0.019 120.630 120.500 0.249 0.000 2.178 122 R HA -0.296 4.044 4.340 -0.000 0.000 0.257 122 R C 2.133 178.494 176.300 0.101 0.000 1.163 122 R CA 1.367 57.551 56.100 0.141 0.000 0.981 122 R CB -1.108 29.242 30.300 0.084 0.000 0.878 122 R HN 0.493 nan 8.270 nan 0.000 0.454 123 A N 0.571 123.438 122.820 0.079 0.000 1.831 123 A HA -0.166 4.154 4.320 -0.000 0.000 0.213 123 A C 2.070 179.673 177.584 0.032 0.000 1.223 123 A CA 1.215 53.279 52.037 0.044 0.000 0.604 123 A CB -0.665 18.352 19.000 0.028 0.000 0.878 123 A HN 0.395 nan 8.150 nan 0.000 0.450 124 E N -0.165 120.038 120.200 0.006 0.000 2.136 124 E HA -0.320 4.030 4.350 -0.000 0.000 0.202 124 E C 1.920 178.521 176.600 0.002 0.000 1.019 124 E CA 1.869 58.252 56.400 -0.028 0.000 0.819 124 E CB -0.175 29.460 29.700 -0.110 0.000 0.739 124 E HN 0.723 nan 8.360 nan 0.000 0.458 125 E N 0.093 120.325 120.200 0.052 0.000 2.013 125 E HA -0.224 4.125 4.350 -0.000 0.000 0.202 125 E C 2.291 178.930 176.600 0.065 0.000 1.018 125 E CA 1.675 58.132 56.400 0.096 0.000 0.834 125 E CB -0.203 29.604 29.700 0.178 0.000 0.770 125 E HN 0.330 nan 8.360 nan 0.000 0.459 126 L N 0.431 121.692 121.223 0.063 0.000 2.187 126 L HA -0.221 4.119 4.340 -0.000 0.000 0.213 126 L C 2.582 179.472 176.870 0.032 0.000 1.100 126 L CA 0.827 55.696 54.840 0.048 0.000 0.765 126 L CB -0.598 41.488 42.059 0.045 0.000 0.904 126 L HN 0.271 nan 8.230 nan 0.000 0.437 127 A N 1.541 124.376 122.820 0.024 0.000 1.841 127 A HA -0.254 4.065 4.320 -0.000 0.000 0.216 127 A C 2.152 179.740 177.584 0.006 0.000 1.199 127 A CA 2.003 54.046 52.037 0.010 0.000 0.621 127 A CB -0.625 18.376 19.000 0.001 0.000 0.835 127 A HN 0.588 nan 8.150 nan 0.000 0.445 128 E N -0.196 120.008 120.200 0.008 0.000 2.204 128 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 128 E C 1.582 178.191 176.600 0.014 0.000 0.989 128 E CA 1.276 57.680 56.400 0.007 0.000 0.824 128 E CB -0.319 29.387 29.700 0.010 0.000 0.756 128 E HN 0.609 nan 8.360 nan 0.000 0.477 129 E N 1.289 121.505 120.200 0.027 0.000 2.331 129 E HA -0.126 4.224 4.350 -0.000 0.000 0.199 129 E C 1.555 178.166 176.600 0.018 0.000 1.008 129 E CA 0.933 57.353 56.400 0.033 0.000 0.843 129 E CB 0.034 29.763 29.700 0.047 0.000 0.761 129 E HN 0.251 nan 8.360 nan 0.000 0.507 130 R N -0.792 119.712 120.500 0.007 0.000 2.308 130 R HA 0.282 4.622 4.340 -0.000 0.000 0.202 130 R C 1.612 177.898 176.300 -0.024 0.000 0.898 130 R CA 0.119 56.216 56.100 -0.005 0.000 1.046 130 R CB 0.319 30.618 30.300 -0.001 0.000 1.026 130 R HN 0.280 nan 8.270 nan 0.000 0.512 131 I N 0.577 121.130 120.570 -0.028 0.000 3.030 131 I HA -0.116 4.054 4.170 -0.000 0.000 0.270 131 I C 1.713 177.778 176.117 -0.087 0.000 1.211 131 I CA 0.673 61.941 61.300 -0.053 0.000 1.479 131 I CB 0.199 38.173 38.000 -0.043 0.000 1.105 131 I HN 0.126 nan 8.210 nan 0.000 0.447 132 L N 0.070 121.259 121.223 -0.057 0.000 2.131 132 L HA -0.124 4.216 4.340 -0.000 0.000 0.206 132 L C 1.929 178.750 176.870 -0.082 0.000 1.087 132 L CA 0.938 55.737 54.840 -0.067 0.000 0.767 132 L CB -0.612 41.450 42.059 0.005 0.000 0.917 132 L HN 0.224 nan 8.230 nan 0.000 0.441 133 D N -0.113 120.255 120.400 -0.054 0.000 2.221 133 D HA -0.179 4.460 4.640 -0.000 0.000 0.204 133 D C 2.125 178.381 176.300 -0.074 0.000 0.982 133 D CA 1.217 55.186 54.000 -0.051 0.000 0.857 133 D CB 0.146 40.926 40.800 -0.032 0.000 0.934 133 D HN 0.202 nan 8.370 nan 0.000 0.475 134 V N 0.534 120.389 119.914 -0.098 0.000 2.535 134 V HA -0.082 4.038 4.120 -0.000 0.000 0.246 134 V C 2.328 178.318 176.094 -0.173 0.000 1.045 134 V CA 0.655 62.890 62.300 -0.110 0.000 1.058 134 V CB -0.082 31.681 31.823 -0.100 0.000 0.689 134 V HN 0.097 nan 8.190 nan 0.000 0.461 135 L N -0.013 121.041 121.223 -0.282 0.000 2.083 135 L HA 0.028 4.368 4.340 -0.000 0.000 0.209 135 L C 0.742 177.393 176.870 -0.365 0.000 1.083 135 L CA 1.507 56.018 54.840 -0.548 0.000 0.752 135 L CB -0.108 41.333 42.059 -1.029 0.000 0.899 135 L HN 0.269 nan 8.230 nan 0.000 0.433 136 I N -0.422 120.045 120.570 -0.171 0.000 2.782 136 I HA 0.233 4.403 4.170 -0.000 0.000 0.279 136 I C -2.395 173.707 176.117 -0.024 0.000 1.247 136 I CA -1.716 59.574 61.300 -0.018 0.000 1.062 136 I CB 1.086 39.142 38.000 0.092 0.000 1.421 136 I HN -0.234 nan 8.210 nan 0.000 0.558 137 P HA -0.034 nan 4.420 nan 0.000 0.253 137 P C -2.126 175.157 177.300 -0.030 0.000 1.159 137 P CA -0.323 62.757 63.100 -0.033 0.000 0.779 137 P CB -0.349 31.334 31.700 -0.027 0.000 0.745 138 P HA 0.153 nan 4.420 nan 0.000 0.276 138 P C -0.616 176.646 177.300 -0.064 0.000 1.235 138 P CA -0.313 62.752 63.100 -0.059 0.000 0.772 138 P CB 0.933 32.585 31.700 -0.081 0.000 0.871 139 A N 4.554 127.335 122.820 -0.065 0.000 2.484 139 A HA 0.219 4.539 4.320 -0.000 0.000 0.268 139 A C 0.530 178.067 177.584 -0.078 0.000 1.114 139 A CA -0.435 51.567 52.037 -0.059 0.000 0.780 139 A CB -0.412 18.559 19.000 -0.050 0.000 1.061 139 A HN 0.539 nan 8.150 nan 0.000 0.505 140 K N 2.850 123.214 120.400 -0.060 0.000 2.591 140 K HA 0.058 4.377 4.320 -0.000 0.000 0.280 140 K C 0.217 176.776 176.600 -0.069 0.000 0.964 140 K CA 0.789 57.041 56.287 -0.059 0.000 1.014 140 K CB -0.212 32.270 32.500 -0.030 0.000 0.877 140 K HN 0.974 nan 8.250 nan 0.000 0.502 141 N N 0.930 119.585 118.700 -0.075 0.000 4.161 141 N HA -0.197 4.543 4.740 -0.000 0.000 0.323 141 N C -1.088 174.343 175.510 -0.132 0.000 2.153 141 N CA 1.216 54.231 53.050 -0.059 0.000 3.017 141 N CB -0.118 38.361 38.487 -0.013 0.000 0.293 141 N HN 1.231 nan 8.380 nan 0.000 0.790 142 N N 0.888 119.502 118.700 -0.143 0.000 3.587 142 N HA 0.272 5.012 4.740 -0.000 0.000 0.368 142 N C -0.761 174.747 175.510 -0.004 0.000 1.440 142 N CA 0.081 53.004 53.050 -0.213 0.000 0.808 142 N CB -0.123 38.053 38.487 -0.519 0.000 2.556 142 N HN 0.606 nan 8.380 nan 0.000 0.490 143 W N -0.882 120.422 121.300 0.007 0.000 3.058 143 W HA -0.025 4.634 4.660 -0.000 0.000 0.179 143 W C 1.242 177.765 176.519 0.005 0.000 0.637 143 W CA 2.026 59.375 57.345 0.006 0.000 0.461 143 W CB -1.798 27.666 29.460 0.006 0.000 2.813 143 W HN 1.522 nan 8.180 nan 0.000 0.413 144 G N -2.023 106.942 108.800 0.275 0.000 3.330 144 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.197 144 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.197 144 G C 0.213 175.171 174.900 0.097 0.000 1.284 144 G CA 0.226 45.412 45.100 0.143 0.000 0.921 144 G HN 0.399 nan 8.290 nan 0.000 0.466 145 Q N 0.168 120.026 119.800 0.098 0.000 2.547 145 Q HA 0.577 4.917 4.340 -0.000 0.000 0.181 145 Q C 0.978 177.020 176.000 0.071 0.000 1.005 145 Q CA 0.636 56.480 55.803 0.067 0.000 1.005 145 Q CB 0.297 29.067 28.738 0.053 0.000 1.574 145 Q HN 0.556 nan 8.270 nan 0.000 0.499 146 T N -2.367 112.218 114.554 0.052 0.000 3.258 146 T HA 0.198 4.548 4.350 -0.000 0.000 0.263 146 T C -0.109 174.621 174.700 0.051 0.000 0.983 146 T CA -0.414 61.714 62.100 0.047 0.000 0.907 146 T CB -0.518 68.368 68.868 0.030 0.000 1.096 146 T HN 0.500 nan 8.240 nan 0.000 0.556 147 E N 0.561 120.799 120.200 0.064 0.000 2.427 147 E HA 0.240 4.589 4.350 -0.000 0.000 0.259 147 E C 0.848 177.492 176.600 0.072 0.000 1.267 147 E CA -0.731 55.702 56.400 0.055 0.000 1.425 147 E CB 0.439 30.165 29.700 0.043 0.000 1.482 147 E HN 0.135 nan 8.360 nan 0.000 0.460 148 Q N 1.074 120.921 119.800 0.078 0.000 2.172 148 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 148 Q C 1.642 177.684 176.000 0.069 0.000 0.964 148 Q CA 1.419 57.278 55.803 0.094 0.000 0.855 148 Q CB 0.192 28.980 28.738 0.083 0.000 0.918 148 Q HN 0.616 nan 8.270 nan 0.000 0.444 149 Q N -0.039 119.790 119.800 0.049 0.000 2.020 149 Q HA -0.136 4.204 4.340 -0.000 0.000 0.198 149 Q C 1.741 177.760 176.000 0.031 0.000 0.974 149 Q CA 0.997 56.822 55.803 0.037 0.000 0.829 149 Q CB -0.076 28.678 28.738 0.027 0.000 0.894 149 Q HN 0.318 nan 8.270 nan 0.000 0.433 150 Q N 0.235 120.051 119.800 0.027 0.000 2.466 150 Q HA -0.130 4.210 4.340 -0.000 0.000 0.210 150 Q C 1.233 177.242 176.000 0.015 0.000 0.961 150 Q CA 0.256 56.069 55.803 0.018 0.000 0.953 150 Q CB 0.354 29.100 28.738 0.014 0.000 1.011 150 Q HN 0.142 nan 8.270 nan 0.000 0.516 151 E N 0.616 120.832 120.200 0.025 0.000 2.042 151 E HA -0.031 4.319 4.350 -0.000 0.000 0.189 151 E C -0.998 175.600 176.600 -0.003 0.000 0.974 151 E CA 0.742 57.149 56.400 0.011 0.000 0.806 151 E CB -0.660 29.067 29.700 0.046 0.000 0.769 151 E HN 0.281 nan 8.360 nan 0.000 0.451 152 P HA -0.059 nan 4.420 nan 0.000 0.234 152 P C -0.758 176.550 177.300 0.014 0.000 1.162 152 P CA 1.084 64.196 63.100 0.019 0.000 0.759 152 P CB -0.530 31.194 31.700 0.039 0.000 0.813 153 S N -2.066 113.637 115.700 0.005 0.000 3.517 153 S HA -0.253 4.217 4.470 -0.000 0.000 0.856 153 S C 1.294 175.897 174.600 0.005 0.000 1.185 153 S CA -0.121 58.080 58.200 0.001 0.000 0.946 153 S CB -1.138 62.059 63.200 -0.005 0.000 0.834 153 S HN 0.335 nan 8.310 nan 0.000 0.279 154 A N 3.891 126.707 122.820 -0.006 0.000 2.104 154 A HA 0.094 4.414 4.320 -0.000 0.000 0.223 154 A C 2.474 180.039 177.584 -0.031 0.000 1.164 154 A CA 2.800 54.826 52.037 -0.018 0.000 0.659 154 A CB -1.548 17.435 19.000 -0.028 0.000 0.808 154 A HN 2.195 nan 8.150 nan 0.000 0.465 155 A N -0.221 122.591 122.820 -0.014 0.000 1.835 155 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 155 A C 2.241 179.865 177.584 0.066 0.000 1.199 155 A CA 1.859 53.894 52.037 -0.003 0.000 0.615 155 A CB -0.583 18.445 19.000 0.047 0.000 0.838 155 A HN 0.584 nan 8.150 nan 0.000 0.444 156 R N -0.374 120.190 120.500 0.106 0.000 2.070 156 R HA -0.194 4.146 4.340 -0.000 0.000 0.233 156 R C 2.417 178.786 176.300 0.115 0.000 1.137 156 R CA 1.908 58.098 56.100 0.151 0.000 0.945 156 R CB -0.443 29.909 30.300 0.087 0.000 0.845 156 R HN 0.706 nan 8.270 nan 0.000 0.430 157 Q N -0.132 119.702 119.800 0.056 0.000 2.217 157 Q HA -0.219 4.121 4.340 -0.000 0.000 0.209 157 Q C 2.105 178.116 176.000 0.019 0.000 0.988 157 Q CA 1.701 57.527 55.803 0.037 0.000 0.878 157 Q CB -0.239 28.509 28.738 0.018 0.000 0.909 157 Q HN 0.477 nan 8.270 nan 0.000 0.424 158 A N 0.977 123.781 122.820 -0.027 0.000 1.828 158 A HA -0.178 4.141 4.320 -0.000 0.000 0.215 158 A C 1.787 179.324 177.584 -0.078 0.000 1.203 158 A CA 1.342 53.310 52.037 -0.115 0.000 0.614 158 A CB -0.977 17.863 19.000 -0.266 0.000 0.844 158 A HN 0.289 nan 8.150 nan 0.000 0.445 159 F N 0.137 120.086 119.950 -0.001 0.000 2.154 159 F HA -0.223 4.304 4.527 -0.000 0.000 0.301 159 F C 2.403 178.203 175.800 0.001 0.000 1.087 159 F CA 1.919 59.918 58.000 -0.001 0.000 1.274 159 F CB -0.596 38.402 39.000 -0.003 0.000 1.009 159 F HN 0.279 nan 8.300 nan 0.000 0.485 160 R N 0.984 121.597 120.500 0.189 0.000 2.094 160 R HA -0.241 4.099 4.340 -0.000 0.000 0.239 160 R C 2.207 178.553 176.300 0.077 0.000 1.137 160 R CA 2.235 58.402 56.100 0.112 0.000 0.943 160 R CB -0.538 29.813 30.300 0.084 0.000 0.850 160 R HN 0.222 nan 8.270 nan 0.000 0.433 161 K N 0.271 120.704 120.400 0.055 0.000 2.026 161 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 161 K C 1.879 178.501 176.600 0.038 0.000 1.048 161 K CA 1.869 58.177 56.287 0.034 0.000 0.929 161 K CB -0.016 32.493 32.500 0.014 0.000 0.713 161 K HN 0.165 nan 8.250 nan 0.000 0.439 162 K N 0.332 120.761 120.400 0.048 0.000 2.032 162 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 162 K C 2.176 178.819 176.600 0.072 0.000 1.048 162 K CA 1.612 57.934 56.287 0.059 0.000 0.927 162 K CB -0.379 32.176 32.500 0.092 0.000 0.712 162 K HN 0.150 nan 8.250 nan 0.000 0.441 163 L N 1.596 122.877 121.223 0.096 0.000 1.976 163 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 163 L C 2.349 179.241 176.870 0.037 0.000 1.071 163 L CA 1.688 56.570 54.840 0.070 0.000 0.746 163 L CB -0.314 41.788 42.059 0.072 0.000 0.890 163 L HN 0.038 nan 8.230 nan 0.000 0.432 164 R N -0.508 120.011 120.500 0.033 0.000 2.070 164 R HA -0.128 4.212 4.340 -0.000 0.000 0.233 164 R C 2.168 178.474 176.300 0.010 0.000 1.137 164 R CA 1.890 57.998 56.100 0.014 0.000 0.945 164 R CB -0.486 29.823 30.300 0.014 0.000 0.845 164 R HN 0.572 nan 8.270 nan 0.000 0.430 165 E N -0.517 119.693 120.200 0.016 0.000 1.999 165 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 165 E C 2.040 178.645 176.600 0.010 0.000 0.995 165 E CA 1.194 57.600 56.400 0.011 0.000 0.825 165 E CB -0.260 29.448 29.700 0.012 0.000 0.777 165 E HN 0.406 nan 8.360 nan 0.000 0.459 166 G N 0.255 109.064 108.800 0.016 0.000 2.572 166 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.214 166 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.214 166 G C 0.512 175.421 174.900 0.016 0.000 1.246 166 G CA 0.066 45.175 45.100 0.015 0.000 0.835 166 G HN 0.088 nan 8.290 nan 0.000 0.551 167 Q N -0.357 119.458 119.800 0.025 0.000 2.323 167 Q HA 0.551 4.891 4.340 -0.000 0.000 0.271 167 Q C -1.844 174.174 176.000 0.030 0.000 1.048 167 Q CA -0.730 55.088 55.803 0.026 0.000 0.792 167 Q CB 2.636 31.393 28.738 0.032 0.000 1.280 167 Q HN 0.085 nan 8.270 nan 0.000 0.441 168 L N 2.157 123.391 121.223 0.018 0.000 2.385 168 L HA 0.495 4.835 4.340 -0.000 0.000 0.273 168 L C -0.197 176.678 176.870 0.008 0.000 0.990 168 L CA 0.042 54.888 54.840 0.011 0.000 0.821 168 L CB 1.645 43.706 42.059 0.003 0.000 1.279 168 L HN 0.722 nan 8.230 nan 0.000 0.412 169 D N 0.235 120.637 120.400 0.004 0.000 3.531 169 D HA 0.071 4.711 4.640 -0.000 0.000 0.443 169 D C -1.219 175.079 176.300 -0.003 0.000 0.722 169 D CA 0.092 54.093 54.000 0.002 0.000 0.931 169 D CB 0.701 41.506 40.800 0.008 0.000 1.666 169 D HN 0.583 nan 8.370 nan 0.000 0.244 170 D N 0.488 120.881 120.400 -0.010 0.000 2.820 170 D HA 0.244 4.884 4.640 -0.000 0.000 0.244 170 D C -0.509 175.774 176.300 -0.030 0.000 1.106 170 D CA -0.340 53.651 54.000 -0.016 0.000 0.741 170 D CB 1.368 42.163 40.800 -0.008 0.000 2.042 170 D HN 0.156 nan 8.370 nan 0.000 0.459 171 K N -0.254 120.128 120.400 -0.031 0.000 5.780 171 K HA 0.189 4.508 4.320 -0.000 0.000 0.760 171 K C -1.949 174.630 176.600 -0.035 0.000 0.933 171 K CA -0.951 55.311 56.287 -0.042 0.000 1.032 171 K CB 0.437 32.897 32.500 -0.066 0.000 1.969 171 K HN 0.370 nan 8.250 nan 0.000 0.977 172 E N 1.195 121.372 120.200 -0.038 0.000 2.244 172 E HA 0.553 4.903 4.350 -0.000 0.000 0.260 172 E C -1.181 175.399 176.600 -0.034 0.000 0.884 172 E CA -1.040 55.341 56.400 -0.031 0.000 0.777 172 E CB 1.184 30.869 29.700 -0.024 0.000 1.197 172 E HN 0.393 nan 8.360 nan 0.000 0.416 173 I N 1.893 122.445 120.570 -0.030 0.000 2.460 173 I HA 0.205 4.375 4.170 -0.000 0.000 0.298 173 I C 0.381 176.486 176.117 -0.020 0.000 0.989 173 I CA -0.912 60.370 61.300 -0.028 0.000 1.173 173 I CB 1.473 39.456 38.000 -0.029 0.000 1.338 173 I HN 0.558 nan 8.210 nan 0.000 0.456 174 E N 5.781 125.970 120.200 -0.018 0.000 2.343 174 E HA 0.674 5.023 4.350 -0.000 0.000 0.269 174 E C -0.638 175.957 176.600 -0.009 0.000 1.047 174 E CA -0.404 55.989 56.400 -0.012 0.000 0.874 174 E CB 1.590 31.283 29.700 -0.011 0.000 1.033 174 E HN 0.597 nan 8.360 nan 0.000 0.409 175 I N -0.318 120.248 120.570 -0.006 0.000 3.105 175 I HA 0.269 4.438 4.170 -0.000 0.000 0.190 175 I C -0.884 175.231 176.117 -0.002 0.000 0.480 175 I CA -0.810 60.488 61.300 -0.004 0.000 2.891 175 I CB 1.013 39.010 38.000 -0.004 0.000 1.358 175 I HN 0.774 nan 8.210 nan 0.000 0.486 214 R N 1.372 121.865 120.500 -0.012 0.000 2.542 214 R HA 0.488 4.828 4.340 -0.000 0.000 0.284 214 R C -0.548 175.744 176.300 -0.013 0.000 1.167 214 R CA -0.828 55.266 56.100 -0.011 0.000 1.000 214 R CB 1.288 31.583 30.300 -0.009 0.000 1.229 214 R HN 0.427 nan 8.270 nan 0.000 0.416 215 K N 2.979 123.371 120.400 -0.013 0.000 2.561 215 K HA -0.006 4.314 4.320 -0.000 0.000 0.280 215 K C -0.591 176.001 176.600 -0.014 0.000 0.975 215 K CA 0.149 56.427 56.287 -0.015 0.000 1.024 215 K CB 0.516 33.008 32.500 -0.013 0.000 0.883 215 K HN 0.557 nan 8.250 nan 0.000 0.496 216 L N 2.106 123.319 121.223 -0.017 0.000 3.291 216 L HA 0.474 4.814 4.340 -0.000 0.000 0.223 216 L C -1.390 175.470 176.870 -0.015 0.000 1.945 216 L CA -0.117 54.714 54.840 -0.015 0.000 2.049 216 L CB 0.941 42.990 42.059 -0.016 0.000 2.006 216 L HN 0.912 nan 8.230 nan 0.000 0.571 217 K N -0.223 120.167 120.400 -0.017 0.000 2.545 217 K HA 0.271 4.591 4.320 -0.000 0.000 0.291 217 K C 0.325 176.915 176.600 -0.016 0.000 1.093 217 K CA -0.461 55.816 56.287 -0.015 0.000 1.012 217 K CB 0.736 33.229 32.500 -0.011 0.000 1.354 217 K HN 0.357 nan 8.250 nan 0.000 0.460 218 I N 1.901 122.459 120.570 -0.019 0.000 2.132 218 I HA -0.431 3.738 4.170 -0.000 0.000 0.238 218 I C 2.437 178.546 176.117 -0.014 0.000 1.012 218 I CA 1.963 63.251 61.300 -0.019 0.000 1.288 218 I CB -0.364 37.625 38.000 -0.018 0.000 0.997 218 I HN 0.828 nan 8.210 nan 0.000 0.402 219 K N 0.197 120.591 120.400 -0.010 0.000 2.242 219 K HA -0.259 4.061 4.320 -0.000 0.000 0.206 219 K C 1.323 177.917 176.600 -0.011 0.000 1.045 219 K CA 2.069 58.351 56.287 -0.009 0.000 0.930 219 K CB -0.033 32.463 32.500 -0.007 0.000 0.726 219 K HN 0.501 nan 8.250 nan 0.000 0.462 220 D N -1.287 119.106 120.400 -0.011 0.000 2.525 220 D HA 0.042 4.682 4.640 -0.000 0.000 0.248 220 D C 1.639 177.932 176.300 -0.012 0.000 1.000 220 D CA 0.707 54.700 54.000 -0.011 0.000 0.923 220 D CB -0.057 40.737 40.800 -0.010 0.000 1.101 220 D HN 0.198 nan 8.370 nan 0.000 0.493 221 A N 1.121 123.932 122.820 -0.014 0.000 2.131 221 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 221 A C 2.077 179.652 177.584 -0.015 0.000 1.158 221 A CA 1.193 53.220 52.037 -0.015 0.000 0.665 221 A CB -0.395 18.593 19.000 -0.020 0.000 0.795 221 A HN 0.106 nan 8.150 nan 0.000 0.460 222 M N -0.035 119.556 119.600 -0.015 0.000 2.081 222 M HA -0.050 4.430 4.480 -0.000 0.000 0.261 222 M C 1.898 178.189 176.300 -0.014 0.000 1.075 222 M CA 1.943 57.234 55.300 -0.016 0.000 1.133 222 M CB -0.334 32.256 32.600 -0.017 0.000 1.330 222 M HN 0.324 nan 8.290 nan 0.000 0.414 223 K N -0.088 120.304 120.400 -0.014 0.000 2.152 223 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 223 K C 1.977 178.572 176.600 -0.009 0.000 1.048 223 K CA 1.268 57.548 56.287 -0.013 0.000 0.933 223 K CB -0.699 31.794 32.500 -0.012 0.000 0.721 223 K HN 0.375 nan 8.250 nan 0.000 0.447 224 L N 1.494 122.712 121.223 -0.009 0.000 1.994 224 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 224 L C 1.954 178.821 176.870 -0.005 0.000 1.071 224 L CA 1.744 56.581 54.840 -0.007 0.000 0.745 224 L CB -0.641 41.413 42.059 -0.008 0.000 0.892 224 L HN 0.242 nan 8.230 nan 0.000 0.431 225 L N -0.393 120.826 121.223 -0.007 0.000 2.093 225 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 225 L C 2.666 179.535 176.870 -0.001 0.000 1.085 225 L CA 0.995 55.833 54.840 -0.004 0.000 0.755 225 L CB -0.356 41.700 42.059 -0.006 0.000 0.904 225 L HN 0.253 nan 8.230 nan 0.000 0.435 226 I N -0.251 120.317 120.570 -0.004 0.000 2.091 226 I HA -0.308 3.862 4.170 -0.000 0.000 0.239 226 I C 2.525 178.643 176.117 0.001 0.000 1.061 226 I CA 1.306 62.604 61.300 -0.004 0.000 1.317 226 I CB -0.350 37.644 38.000 -0.011 0.000 1.031 226 I HN 0.204 nan 8.210 nan 0.000 0.401 227 E N 1.091 121.291 120.200 0.000 0.000 2.033 227 E HA -0.231 4.119 4.350 -0.000 0.000 0.199 227 E C 2.070 178.674 176.600 0.006 0.000 1.011 227 E CA 1.416 57.819 56.400 0.004 0.000 0.815 227 E CB -0.291 29.410 29.700 0.002 0.000 0.755 227 E HN 0.422 nan 8.360 nan 0.000 0.451 228 E N 0.191 120.394 120.200 0.005 0.000 2.114 228 E HA -0.243 4.107 4.350 -0.000 0.000 0.199 228 E C 1.992 178.598 176.600 0.010 0.000 1.008 228 E CA 1.160 57.564 56.400 0.007 0.000 0.810 228 E CB -0.059 29.644 29.700 0.005 0.000 0.739 228 E HN 0.240 nan 8.360 nan 0.000 0.456 229 E N 0.187 120.393 120.200 0.010 0.000 2.051 229 E HA -0.071 4.279 4.350 -0.000 0.000 0.189 229 E C 2.112 178.722 176.600 0.018 0.000 0.979 229 E CA 0.801 57.211 56.400 0.015 0.000 0.803 229 E CB -0.265 29.445 29.700 0.017 0.000 0.761 229 E HN 0.207 nan 8.360 nan 0.000 0.451 230 A N 1.879 124.709 122.820 0.016 0.000 1.958 230 A HA -0.239 4.081 4.320 -0.000 0.000 0.221 230 A C 2.394 179.988 177.584 0.018 0.000 1.178 230 A CA 2.365 54.413 52.037 0.018 0.000 0.642 230 A CB -0.725 18.284 19.000 0.014 0.000 0.816 230 A HN 0.281 nan 8.150 nan 0.000 0.453 231 A N -0.012 122.818 122.820 0.016 0.000 1.848 231 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 231 A C 2.013 179.607 177.584 0.018 0.000 1.220 231 A CA 2.186 54.233 52.037 0.016 0.000 0.645 231 A CB -0.823 18.186 19.000 0.015 0.000 0.842 231 A HN 0.542 nan 8.150 nan 0.000 0.451 232 K N -0.770 119.640 120.400 0.017 0.000 2.227 232 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 232 K C 1.764 178.375 176.600 0.019 0.000 1.045 232 K CA 1.561 57.859 56.287 0.018 0.000 0.931 232 K CB -0.429 32.082 32.500 0.018 0.000 0.721 232 K HN 0.402 nan 8.250 nan 0.000 0.469 233 L N 0.451 121.686 121.223 0.020 0.000 2.068 233 L HA -0.015 4.325 4.340 -0.000 0.000 0.204 233 L C 1.057 177.938 176.870 0.019 0.000 1.076 233 L CA 0.831 55.684 54.840 0.021 0.000 0.753 233 L CB -0.759 41.314 42.059 0.024 0.000 0.910 233 L HN -0.092 nan 8.230 nan 0.000 0.439 234 V N 2.791 122.717 119.914 0.020 0.000 2.529 234 V HA -0.009 4.111 4.120 -0.000 0.000 0.292 234 V C 0.405 176.511 176.094 0.020 0.000 1.028 234 V CA -0.257 62.055 62.300 0.020 0.000 1.074 234 V CB 0.090 31.925 31.823 0.020 0.000 0.958 234 V HN 0.379 nan 8.190 nan 0.000 0.481 235 N N 7.282 125.994 118.700 0.020 0.000 2.437 235 N HA 0.207 4.947 4.740 -0.000 0.000 0.243 235 N C -1.923 173.601 175.510 0.024 0.000 1.041 235 N CA -1.276 51.787 53.050 0.021 0.000 0.940 235 N CB 1.845 40.344 38.487 0.019 0.000 1.133 235 N HN 0.347 nan 8.380 nan 0.000 0.506 236 P HA -0.176 nan 4.420 nan 0.000 0.213 236 P C 0.930 178.252 177.300 0.036 0.000 1.176 236 P CA 1.506 64.626 63.100 0.033 0.000 0.919 236 P CB 0.429 32.147 31.700 0.030 0.000 0.791 237 E N -0.571 119.647 120.200 0.031 0.000 2.118 237 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 237 E C 1.983 178.602 176.600 0.032 0.000 0.992 237 E CA 1.232 57.651 56.400 0.032 0.000 0.804 237 E CB -0.749 28.966 29.700 0.026 0.000 0.741 237 E HN 0.356 nan 8.360 nan 0.000 0.458 238 E N -0.350 119.867 120.200 0.028 0.000 2.077 238 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 238 E C 1.778 178.395 176.600 0.028 0.000 0.989 238 E CA 1.168 57.584 56.400 0.027 0.000 0.800 238 E CB -0.064 29.649 29.700 0.023 0.000 0.746 238 E HN 0.301 nan 8.360 nan 0.000 0.452 239 L N -0.395 120.846 121.223 0.029 0.000 2.313 239 L HA 0.134 4.474 4.340 -0.000 0.000 0.214 239 L C 1.895 178.783 176.870 0.031 0.000 1.119 239 L CA 1.493 56.349 54.840 0.026 0.000 0.809 239 L CB -0.529 41.544 42.059 0.023 0.000 0.933 239 L HN -0.123 nan 8.230 nan 0.000 0.449 240 K N -0.345 120.083 120.400 0.047 0.000 2.062 240 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 240 K C 2.300 178.933 176.600 0.054 0.000 1.051 240 K CA 1.265 57.592 56.287 0.066 0.000 0.941 240 K CB -0.006 32.543 32.500 0.081 0.000 0.719 240 K HN 0.388 nan 8.250 nan 0.000 0.440 241 Q N 1.564 121.391 119.800 0.046 0.000 2.046 241 Q HA -0.160 4.180 4.340 -0.000 0.000 0.200 241 Q C 1.213 177.239 176.000 0.043 0.000 0.975 241 Q CA 2.238 58.068 55.803 0.044 0.000 0.836 241 Q CB -0.409 28.352 28.738 0.039 0.000 0.896 241 Q HN 0.270 nan 8.270 nan 0.000 0.428 242 D N 0.032 120.455 120.400 0.037 0.000 2.106 242 D HA -0.177 4.463 4.640 -0.000 0.000 0.191 242 D C 1.693 178.013 176.300 0.034 0.000 0.997 242 D CA 2.090 56.112 54.000 0.036 0.000 0.834 242 D CB -0.536 40.279 40.800 0.026 0.000 0.956 242 D HN 0.433 nan 8.370 nan 0.000 0.448 243 A N 0.140 122.971 122.820 0.018 0.000 1.986 243 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 243 A C 2.299 179.892 177.584 0.014 0.000 1.171 243 A CA 1.101 53.135 52.037 -0.004 0.000 0.640 243 A CB -0.701 18.268 19.000 -0.051 0.000 0.811 243 A HN 0.246 nan 8.150 nan 0.000 0.451 244 I N -0.311 120.279 120.570 0.034 0.000 2.141 244 I HA -0.202 3.967 4.170 -0.000 0.000 0.236 244 I C 1.981 178.135 176.117 0.062 0.000 1.071 244 I CA 1.498 62.827 61.300 0.048 0.000 1.345 244 I CB -0.583 37.449 38.000 0.054 0.000 1.066 244 I HN 0.263 nan 8.210 nan 0.000 0.406 245 D N 1.497 121.939 120.400 0.070 0.000 2.170 245 D HA -0.256 4.384 4.640 -0.000 0.000 0.193 245 D C 2.092 178.470 176.300 0.130 0.000 1.004 245 D CA 1.630 55.684 54.000 0.090 0.000 0.860 245 D CB -0.553 40.303 40.800 0.093 0.000 0.931 245 D HN 0.407 nan 8.370 nan 0.000 0.448 246 A N 0.884 123.780 122.820 0.127 0.000 1.863 246 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 246 A C 2.626 180.306 177.584 0.159 0.000 1.233 246 A CA 2.609 54.741 52.037 0.158 0.000 0.655 246 A CB -1.154 17.889 19.000 0.071 0.000 0.839 246 A HN 0.159 nan 8.150 nan 0.000 0.454 247 V N 0.039 120.005 119.914 0.087 0.000 2.231 247 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 247 V C 2.475 178.605 176.094 0.060 0.000 1.054 247 V CA 2.536 64.874 62.300 0.063 0.000 1.015 247 V CB -1.085 30.761 31.823 0.038 0.000 0.638 247 V HN 0.674 nan 8.190 nan 0.000 0.444 248 E N -0.532 119.705 120.200 0.061 0.000 2.160 248 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 248 E C 2.187 178.826 176.600 0.065 0.000 0.991 248 E CA 1.185 57.623 56.400 0.063 0.000 0.810 248 E CB -0.071 29.672 29.700 0.072 0.000 0.742 248 E HN 0.577 nan 8.360 nan 0.000 0.466 249 Q N -1.079 118.717 119.800 -0.007 0.000 2.352 249 Q HA 0.060 4.400 4.340 -0.000 0.000 0.212 249 Q C 0.458 176.123 176.000 -0.558 0.000 0.888 249 Q CA 0.700 56.357 55.803 -0.243 0.000 0.934 249 Q CB 0.683 29.228 28.738 -0.322 0.000 1.093 249 Q HN 0.472 nan 8.270 nan 0.000 0.523 250 H N -1.834 117.270 119.070 0.055 0.000 3.650 250 H HA 0.283 4.839 4.556 -0.000 0.000 0.260 250 H C 0.587 175.936 175.328 0.034 0.000 1.194 250 H CA -0.007 56.067 56.048 0.044 0.000 1.135 250 H CB 0.685 30.469 29.762 0.038 0.000 1.612 250 H HN 0.100 nan 8.280 nan 0.000 0.703 251 G N 1.386 110.243 108.800 0.096 0.000 2.391 251 G HA2 0.289 4.248 3.960 -0.000 0.000 0.234 251 G HA3 0.289 4.248 3.960 -0.000 0.000 0.234 251 G C -0.234 174.661 174.900 -0.007 0.000 1.284 251 G CA 0.038 45.159 45.100 0.035 0.000 0.873 251 G HN 0.309 nan 8.290 nan 0.000 0.549 252 I N 1.994 122.573 120.570 0.014 0.000 2.497 252 I HA 0.174 4.344 4.170 -0.000 0.000 0.284 252 I C -0.453 175.630 176.117 -0.056 0.000 1.060 252 I CA -0.666 60.656 61.300 0.037 0.000 1.071 252 I CB 2.088 40.245 38.000 0.262 0.000 1.216 252 I HN 0.105 nan 8.210 nan 0.000 0.442 253 V N 6.321 126.059 119.914 -0.293 0.000 2.532 253 V HA 0.377 4.497 4.120 -0.000 0.000 0.295 253 V C -0.782 175.281 176.094 -0.052 0.000 1.041 253 V CA -0.579 61.544 62.300 -0.294 0.000 0.926 253 V CB 2.166 33.734 31.823 -0.425 0.000 0.992 253 V HN 0.481 nan 8.190 nan 0.000 0.457 254 F N 5.669 125.505 119.950 -0.190 0.000 2.513 254 F HA 0.581 5.108 4.527 -0.000 0.000 0.358 254 F C -0.165 175.664 175.800 0.048 0.000 1.118 254 F CA -0.689 57.318 58.000 0.013 0.000 1.037 254 F CB 0.782 39.849 39.000 0.112 0.000 1.276 254 F HN 0.344 nan 8.300 nan 0.000 0.446 255 I N 5.100 125.516 120.570 -0.258 0.000 2.294 255 I HA 0.129 4.299 4.170 -0.000 0.000 0.295 255 I C -0.083 175.845 176.117 -0.315 0.000 1.098 255 I CA -0.211 61.001 61.300 -0.146 0.000 1.277 255 I CB 0.173 38.161 38.000 -0.021 0.000 1.434 255 I HN 0.496 nan 8.210 nan 0.000 0.498 256 D N 5.938 126.281 120.400 -0.096 0.000 2.312 256 D HA 0.086 4.726 4.640 -0.000 0.000 0.248 256 D C 0.404 176.705 176.300 0.002 0.000 1.086 256 D CA 0.198 54.200 54.000 0.002 0.000 0.948 256 D CB 0.789 41.767 40.800 0.297 0.000 1.162 256 D HN 0.462 nan 8.370 nan 0.000 0.446 257 E N 1.592 121.782 120.200 -0.016 0.000 2.389 257 E HA -0.213 4.137 4.350 -0.000 0.000 0.243 257 E C 0.973 177.516 176.600 -0.095 0.000 1.154 257 E CA 0.030 56.392 56.400 -0.063 0.000 0.723 257 E CB -1.009 28.677 29.700 -0.024 0.000 1.261 257 E HN 0.534 nan 8.360 nan 0.000 0.390 258 I N 1.547 122.054 120.570 -0.105 0.000 2.394 258 I HA -0.202 3.967 4.170 -0.000 0.000 0.251 258 I C 2.110 178.138 176.117 -0.148 0.000 1.136 258 I CA 2.121 63.385 61.300 -0.061 0.000 1.425 258 I CB -0.439 37.579 38.000 0.030 0.000 1.079 258 I HN 0.235 nan 8.210 nan 0.000 0.425 259 D N 0.334 120.453 120.400 -0.468 0.000 2.350 259 D HA -0.186 4.454 4.640 -0.000 0.000 0.216 259 D C 1.275 177.396 176.300 -0.297 0.000 0.968 259 D CA 0.565 54.147 54.000 -0.698 0.000 0.894 259 D CB -0.380 39.460 40.800 -1.600 0.000 0.909 259 D HN 0.202 nan 8.370 nan 0.000 0.520 260 K N 0.260 120.546 120.400 -0.190 0.000 2.522 260 K HA 0.211 4.531 4.320 -0.000 0.000 0.194 260 K C 1.204 177.772 176.600 -0.052 0.000 1.026 260 K CA -0.052 56.175 56.287 -0.100 0.000 1.119 260 K CB 0.523 32.981 32.500 -0.069 0.000 0.856 260 K HN 0.388 nan 8.250 nan 0.000 0.513 261 I N -0.549 119.993 120.570 -0.046 0.000 4.327 261 I HA 0.019 4.189 4.170 -0.000 0.000 0.331 261 I C 0.348 176.465 176.117 -0.001 0.000 1.348 261 I CA -0.182 61.111 61.300 -0.012 0.000 1.152 261 I CB 0.642 38.643 38.000 0.003 0.000 1.151 261 I HN -0.073 nan 8.210 nan 0.000 0.410 262 C N 1.566 120.868 119.300 0.004 0.000 2.604 262 C HA 0.152 4.612 4.460 -0.000 0.000 0.396 262 C C 1.998 176.999 174.990 0.018 0.000 1.282 262 C CA -0.625 58.413 59.018 0.033 0.000 2.292 262 C CB 1.049 28.841 27.740 0.087 0.000 2.633 262 C HN 0.473 nan 8.230 nan 0.000 0.620 263 K N 0.831 121.243 120.400 0.021 0.000 2.342 263 K HA -0.361 3.959 4.320 -0.000 0.000 0.205 263 K C 1.500 178.103 176.600 0.004 0.000 0.693 263 K CA 2.727 59.021 56.287 0.012 0.000 0.967 263 K CB -0.379 32.133 32.500 0.018 0.000 0.535 263 K HN 0.745 nan 8.250 nan 0.000 0.902 264 R N -3.586 116.918 120.500 0.007 0.000 1.513 264 R HA -0.178 4.162 4.340 -0.000 0.000 0.024 264 R C 0.875 177.176 176.300 0.003 0.000 0.955 264 R CA 3.511 59.612 56.100 0.002 0.000 1.932 264 R CB -1.796 28.501 30.300 -0.006 0.000 0.242 264 R HN 1.058 nan 8.270 nan 0.000 0.726 265 G N 0.062 108.862 108.800 -0.000 0.000 2.255 265 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.196 265 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.196 265 G C 0.429 175.328 174.900 -0.001 0.000 0.998 265 G CA 1.099 46.199 45.100 0.000 0.000 0.656 265 G HN 0.828 nan 8.290 nan 0.000 0.490 266 E N 0.457 120.656 120.200 -0.002 0.000 2.502 266 E HA 0.501 4.851 4.350 -0.000 0.000 0.194 266 E C 0.861 177.458 176.600 -0.004 0.000 1.062 266 E CA 0.989 57.388 56.400 -0.002 0.000 0.867 266 E CB 0.158 29.858 29.700 -0.001 0.000 0.888 266 E HN 0.362 nan 8.360 nan 0.000 0.510 267 S N -1.536 114.160 115.700 -0.007 0.000 2.761 267 S HA 0.349 4.819 4.470 -0.000 0.000 0.290 267 S C -0.130 174.464 174.600 -0.010 0.000 1.222 267 S CA -0.343 57.851 58.200 -0.009 0.000 0.954 267 S CB 1.522 64.713 63.200 -0.015 0.000 1.281 267 S HN 0.050 nan 8.310 nan 0.000 0.527 268 S N -0.462 115.230 115.700 -0.013 0.000 3.325 268 S HA 0.284 4.754 4.470 -0.000 0.000 0.254 268 S C 1.651 176.240 174.600 -0.019 0.000 1.084 268 S CA 0.346 58.538 58.200 -0.013 0.000 0.786 268 S CB -0.505 62.689 63.200 -0.011 0.000 0.849 268 S HN 0.756 nan 8.310 nan 0.000 0.483 269 G N 3.051 111.838 108.800 -0.021 0.000 2.556 269 G HA2 -0.078 3.881 3.960 -0.000 0.000 0.215 269 G HA3 -0.078 3.881 3.960 -0.000 0.000 0.215 269 G C -1.196 173.680 174.900 -0.039 0.000 1.258 269 G CA 1.010 46.093 45.100 -0.028 0.000 0.811 269 G HN 0.359 nan 8.290 nan 0.000 0.557 270 P HA -0.072 nan 4.420 nan 0.000 0.218 270 P C 0.894 178.159 177.300 -0.058 0.000 1.146 270 P CA 1.487 64.543 63.100 -0.073 0.000 0.820 270 P CB 0.047 31.699 31.700 -0.079 0.000 0.778 271 D N -1.363 119.014 120.400 -0.038 0.000 2.106 271 D HA -0.061 4.579 4.640 -0.000 0.000 0.203 271 D C 1.704 177.989 176.300 -0.025 0.000 0.977 271 D CA 0.895 54.878 54.000 -0.028 0.000 0.844 271 D CB -0.973 39.816 40.800 -0.018 0.000 1.002 271 D HN -0.054 nan 8.370 nan 0.000 0.461 272 V N 0.827 120.726 119.914 -0.024 0.000 3.383 272 V HA -0.073 4.047 4.120 -0.000 0.000 0.272 272 V C 2.093 178.170 176.094 -0.028 0.000 1.181 272 V CA 1.133 63.419 62.300 -0.022 0.000 1.171 272 V CB -0.332 31.479 31.823 -0.020 0.000 0.800 272 V HN 0.129 nan 8.190 nan 0.000 0.515 273 S N -0.383 115.295 115.700 -0.036 0.000 2.475 273 S HA 0.034 4.504 4.470 -0.000 0.000 0.224 273 S C 2.112 176.689 174.600 -0.038 0.000 1.042 273 S CA 0.035 58.208 58.200 -0.044 0.000 0.935 273 S CB 0.039 63.198 63.200 -0.068 0.000 0.801 273 S HN 0.527 nan 8.310 nan 0.000 0.509 274 R N 1.339 121.818 120.500 -0.034 0.000 2.066 274 R HA 0.039 4.379 4.340 -0.000 0.000 0.232 274 R C 2.081 178.373 176.300 -0.014 0.000 1.131 274 R CA 1.299 57.386 56.100 -0.021 0.000 0.955 274 R CB -0.611 29.678 30.300 -0.020 0.000 0.851 274 R HN 0.557 nan 8.270 nan 0.000 0.432 275 E N 0.185 120.375 120.200 -0.017 0.000 2.130 275 E HA -0.172 4.177 4.350 -0.000 0.000 0.196 275 E C 2.061 178.645 176.600 -0.026 0.000 0.998 275 E CA 1.311 57.700 56.400 -0.018 0.000 0.806 275 E CB -0.295 29.395 29.700 -0.017 0.000 0.738 275 E HN 0.487 nan 8.360 nan 0.000 0.459 276 G N 1.421 110.204 108.800 -0.027 0.000 2.476 276 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 276 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 276 G C 1.784 176.661 174.900 -0.039 0.000 1.164 276 G CA 1.173 46.254 45.100 -0.031 0.000 0.768 276 G HN 0.178 nan 8.290 nan 0.000 0.560 277 V N 0.450 120.351 119.914 -0.023 0.000 2.392 277 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 277 V C 2.865 178.917 176.094 -0.070 0.000 1.059 277 V CA 2.290 64.571 62.300 -0.032 0.000 1.051 277 V CB -0.636 31.210 31.823 0.039 0.000 0.658 277 V HN 0.456 nan 8.190 nan 0.000 0.455 278 Q N -0.421 119.350 119.800 -0.049 0.000 2.119 278 Q HA -0.180 4.160 4.340 -0.000 0.000 0.201 278 Q C 2.535 178.487 176.000 -0.081 0.000 0.972 278 Q CA 1.482 57.249 55.803 -0.060 0.000 0.847 278 Q CB -0.174 28.542 28.738 -0.036 0.000 0.903 278 Q HN 0.628 nan 8.270 nan 0.000 0.433 279 R N 0.614 121.072 120.500 -0.070 0.000 2.070 279 R HA -0.128 4.212 4.340 -0.000 0.000 0.233 279 R C 1.791 178.034 176.300 -0.096 0.000 1.137 279 R CA 1.474 57.530 56.100 -0.074 0.000 0.945 279 R CB -0.276 29.990 30.300 -0.056 0.000 0.845 279 R HN 0.235 nan 8.270 nan 0.000 0.430 280 D N 0.944 121.280 120.400 -0.107 0.000 2.190 280 D HA -0.159 4.481 4.640 -0.000 0.000 0.200 280 D C 1.862 178.055 176.300 -0.178 0.000 0.992 280 D CA 1.077 54.993 54.000 -0.139 0.000 0.854 280 D CB -0.122 40.580 40.800 -0.163 0.000 0.936 280 D HN 0.196 nan 8.370 nan 0.000 0.462 281 L N 0.105 121.212 121.223 -0.194 0.000 2.313 281 L HA -0.028 4.312 4.340 -0.000 0.000 0.214 281 L C 2.365 179.106 176.870 -0.216 0.000 1.119 281 L CA 0.079 54.787 54.840 -0.220 0.000 0.809 281 L CB -0.083 41.848 42.059 -0.213 0.000 0.933 281 L HN 0.072 nan 8.230 nan 0.000 0.449 282 L N 0.206 121.327 121.223 -0.171 0.000 1.997 282 L HA -0.239 4.101 4.340 -0.000 0.000 0.216 282 L C -0.119 176.657 176.870 -0.156 0.000 1.074 282 L CA 1.955 56.700 54.840 -0.159 0.000 0.763 282 L CB -1.881 40.111 42.059 -0.112 0.000 0.890 282 L HN 0.240 nan 8.230 nan 0.000 0.434 283 P HA -0.209 nan 4.420 nan 0.000 0.216 283 P C 1.875 179.113 177.300 -0.104 0.000 1.153 283 P CA 1.466 64.507 63.100 -0.099 0.000 0.858 283 P CB 0.036 31.689 31.700 -0.080 0.000 0.789 284 L N -1.071 120.071 121.223 -0.135 0.000 2.017 284 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 284 L C 2.291 179.024 176.870 -0.228 0.000 1.073 284 L CA 1.516 56.293 54.840 -0.104 0.000 0.745 284 L CB -1.286 40.722 42.059 -0.086 0.000 0.894 284 L HN -0.040 nan 8.230 nan 0.000 0.432 285 V N -3.701 115.930 119.914 -0.472 0.000 3.129 285 V HA -0.052 4.068 4.120 -0.000 0.000 0.259 285 V C 1.680 177.653 176.094 -0.202 0.000 1.116 285 V CA 1.014 62.996 62.300 -0.528 0.000 1.127 285 V CB -0.467 30.987 31.823 -0.615 0.000 0.742 285 V HN 0.422 nan 8.190 nan 0.000 0.474 286 E N 1.182 121.294 120.200 -0.145 0.000 2.452 286 E HA 0.433 4.783 4.350 -0.000 0.000 0.197 286 E C 1.003 177.569 176.600 -0.056 0.000 1.022 286 E CA 0.471 56.821 56.400 -0.083 0.000 0.890 286 E CB 0.601 30.253 29.700 -0.079 0.000 0.918 286 E HN 0.784 nan 8.360 nan 0.000 0.496 287 G N 1.468 110.235 108.800 -0.055 0.000 3.434 287 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.686 287 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.686 287 G C -0.398 174.474 174.900 -0.047 0.000 1.099 287 G CA -0.646 44.425 45.100 -0.048 0.000 0.931 287 G HN 0.352 nan 8.290 nan 0.000 0.520 288 C N -0.098 119.180 119.300 -0.037 0.000 3.284 288 C HA 0.946 5.406 4.460 -0.000 0.000 0.348 288 C C 0.086 175.063 174.990 -0.021 0.000 1.448 288 C CA -0.042 58.957 59.018 -0.032 0.000 1.223 288 C CB 1.559 29.279 27.740 -0.033 0.000 1.588 288 C HN 1.439 nan 8.230 nan 0.000 0.451 289 T N 1.362 115.906 114.554 -0.017 0.000 2.829 289 T HA 0.712 5.062 4.350 -0.000 0.000 0.280 289 T C -0.407 174.293 174.700 -0.001 0.000 0.999 289 T CA -0.231 61.865 62.100 -0.007 0.000 0.983 289 T CB 1.358 70.220 68.868 -0.010 0.000 0.968 289 T HN 1.914 nan 8.240 nan 0.000 0.446 290 V N 0.857 120.776 119.914 0.009 0.000 2.789 290 V HA 0.854 4.973 4.120 -0.000 0.000 0.311 290 V C -0.272 175.834 176.094 0.020 0.000 1.073 290 V CA -0.706 61.602 62.300 0.013 0.000 0.921 290 V CB 2.119 33.953 31.823 0.019 0.000 1.009 290 V HN 0.778 nan 8.190 nan 0.000 0.426 291 S N 3.388 119.098 115.700 0.017 0.000 2.499 291 S HA 0.764 5.234 4.470 -0.000 0.000 0.279 291 S C 0.062 174.678 174.600 0.027 0.000 1.219 291 S CA 0.327 58.539 58.200 0.019 0.000 1.062 291 S CB 0.392 63.598 63.200 0.010 0.000 0.978 291 S HN 1.624 nan 8.310 nan 0.000 0.489 292 T N 1.759 116.335 114.554 0.036 0.000 2.906 292 T HA 0.474 4.824 4.350 -0.000 0.000 0.295 292 T C 0.871 175.579 174.700 0.014 0.000 1.075 292 T CA -0.954 61.175 62.100 0.048 0.000 1.005 292 T CB 1.215 70.143 68.868 0.099 0.000 1.136 292 T HN 0.544 nan 8.240 nan 0.000 0.498 293 K N 0.124 120.501 120.400 -0.038 0.000 2.077 293 K HA -0.211 4.109 4.320 -0.000 0.000 0.213 293 K C 1.539 177.977 176.600 -0.270 0.000 1.051 293 K CA 1.994 58.166 56.287 -0.193 0.000 0.929 293 K CB -0.395 31.900 32.500 -0.342 0.000 0.715 293 K HN 0.631 nan 8.250 nan 0.000 0.451 294 H N -0.213 118.866 119.070 0.016 0.000 2.543 294 H HA 0.163 4.719 4.556 -0.000 0.000 0.269 294 H C 1.125 176.463 175.328 0.017 0.000 1.005 294 H CA 0.740 56.798 56.048 0.017 0.000 1.146 294 H CB 0.331 30.105 29.762 0.019 0.000 1.353 294 H HN 0.416 nan 8.280 nan 0.000 0.595 295 G N 0.545 109.388 108.800 0.071 0.000 2.331 295 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.479 295 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.479 295 G C -0.809 174.121 174.900 0.049 0.000 1.262 295 G CA -0.904 44.228 45.100 0.053 0.000 1.029 295 G HN -0.012 nan 8.290 nan 0.000 0.487 296 M N 0.522 120.145 119.600 0.038 0.000 2.146 296 M HA 0.554 5.034 4.480 -0.000 0.000 0.357 296 M C 0.136 176.457 176.300 0.036 0.000 1.261 296 M CA -0.528 54.791 55.300 0.031 0.000 1.106 296 M CB 0.754 33.366 32.600 0.020 0.000 1.612 296 M HN 0.434 nan 8.290 nan 0.000 0.470 297 V N 4.276 124.210 119.914 0.034 0.000 2.495 297 V HA 0.389 4.509 4.120 -0.000 0.000 0.298 297 V C 0.145 176.252 176.094 0.022 0.000 1.031 297 V CA -0.935 61.386 62.300 0.035 0.000 0.871 297 V CB 2.225 34.074 31.823 0.043 0.000 0.988 297 V HN 0.684 nan 8.190 nan 0.000 0.432 298 K N 2.001 122.411 120.400 0.016 0.000 2.211 298 K HA 0.338 4.658 4.320 -0.000 0.000 0.275 298 K C 0.972 177.567 176.600 -0.009 0.000 1.024 298 K CA -0.056 56.227 56.287 -0.007 0.000 0.887 298 K CB 1.573 34.060 32.500 -0.022 0.000 1.084 298 K HN 0.894 nan 8.250 nan 0.000 0.463 299 T N -0.832 113.720 114.554 -0.004 0.000 3.081 299 T HA -0.027 4.323 4.350 -0.000 0.000 0.255 299 T C 0.741 175.446 174.700 0.008 0.000 1.113 299 T CA 0.354 62.479 62.100 0.041 0.000 1.082 299 T CB 0.013 68.945 68.868 0.107 0.000 0.939 299 T HN 0.466 nan 8.240 nan 0.000 0.506 300 D N 2.193 122.516 120.400 -0.130 0.000 2.244 300 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 300 D C 1.080 177.196 176.300 -0.307 0.000 1.006 300 D CA 1.554 55.388 54.000 -0.277 0.000 0.888 300 D CB -0.402 40.095 40.800 -0.504 0.000 0.912 300 D HN 0.749 nan 8.370 nan 0.000 0.452 301 H N -1.265 117.847 119.070 0.070 0.000 2.528 301 H HA 0.226 4.782 4.556 -0.000 0.000 0.282 301 H C 0.166 175.510 175.328 0.026 0.000 1.097 301 H CA -0.716 55.356 56.048 0.040 0.000 1.121 301 H CB 0.724 30.483 29.762 -0.006 0.000 1.590 301 H HN -0.011 nan 8.280 nan 0.000 0.553 302 I N 1.940 122.577 120.570 0.111 0.000 2.575 302 I HA 0.007 4.177 4.170 -0.000 0.000 0.285 302 I C 0.228 176.321 176.117 -0.040 0.000 1.085 302 I CA -0.684 60.602 61.300 -0.024 0.000 1.403 302 I CB 0.814 38.719 38.000 -0.158 0.000 1.409 302 I HN 0.125 nan 8.210 nan 0.000 0.557 303 L N 7.140 128.292 121.223 -0.117 0.000 2.292 303 L HA 0.459 4.799 4.340 -0.000 0.000 0.284 303 L C -1.099 175.637 176.870 -0.224 0.000 1.065 303 L CA 0.257 55.082 54.840 -0.025 0.000 0.806 303 L CB 0.479 42.565 42.059 0.045 0.000 1.175 303 L HN 0.211 nan 8.230 nan 0.000 0.431 304 F N 5.833 125.827 119.950 0.073 0.000 2.444 304 F HA 0.523 5.050 4.527 -0.000 0.000 0.342 304 F C 0.073 175.906 175.800 0.055 0.000 1.121 304 F CA -0.403 57.630 58.000 0.054 0.000 0.997 304 F CB 1.335 40.344 39.000 0.015 0.000 1.130 304 F HN 0.260 nan 8.300 nan 0.000 0.454 305 I N 3.929 124.610 120.570 0.185 0.000 2.460 305 I HA 0.418 4.588 4.170 -0.000 0.000 0.277 305 I C -0.178 175.838 176.117 -0.167 0.000 1.057 305 I CA -0.621 60.746 61.300 0.111 0.000 1.179 305 I CB 0.847 39.026 38.000 0.299 0.000 1.329 305 I HN 0.623 nan 8.210 nan 0.000 0.478 306 A N 4.300 127.064 122.820 -0.094 0.000 2.363 306 A HA 0.658 4.978 4.320 -0.000 0.000 0.270 306 A C 0.087 177.557 177.584 -0.189 0.000 1.121 306 A CA -0.122 51.814 52.037 -0.168 0.000 0.800 306 A CB 1.071 20.064 19.000 -0.011 0.000 1.052 306 A HN 0.599 nan 8.150 nan 0.000 0.493 307 S N 0.717 116.251 115.700 -0.277 0.000 2.677 307 S HA 0.917 5.387 4.470 -0.000 0.000 0.304 307 S C -0.216 174.414 174.600 0.050 0.000 1.108 307 S CA 0.121 58.278 58.200 -0.072 0.000 0.944 307 S CB 1.758 64.926 63.200 -0.054 0.000 1.127 307 S HN 2.202 nan 8.310 nan 0.000 0.511 308 G N -0.161 108.719 108.800 0.133 0.000 2.429 308 G HA2 0.553 4.513 3.960 -0.000 0.000 0.300 308 G HA3 0.553 4.513 3.960 -0.000 0.000 0.300 308 G C -0.018 174.938 174.900 0.093 0.000 1.598 308 G CA 0.059 45.139 45.100 -0.034 0.000 0.863 308 G HN 1.081 nan 8.290 nan 0.000 0.614 309 A N 0.591 123.369 122.820 -0.071 0.000 2.030 309 A HA 0.521 4.841 4.320 -0.000 0.000 0.215 309 A C 1.179 178.837 177.584 0.124 0.000 1.164 309 A CA 0.795 52.858 52.037 0.042 0.000 0.697 309 A CB -0.572 18.423 19.000 -0.008 0.000 0.827 309 A HN 1.558 nan 8.150 nan 0.000 0.457 310 F N -0.373 119.588 119.950 0.019 0.000 3.019 310 F HA -0.282 4.245 4.527 -0.000 0.000 0.259 310 F C 1.554 177.362 175.800 0.012 0.000 0.976 310 F CA 1.006 59.014 58.000 0.013 0.000 0.876 310 F CB -1.538 37.469 39.000 0.012 0.000 0.784 310 F HN 0.299 nan 8.300 nan 0.000 0.786 311 Q N 0.063 119.912 119.800 0.081 0.000 2.137 311 Q HA -0.024 4.316 4.340 -0.000 0.000 0.198 311 Q C 2.422 178.455 176.000 0.055 0.000 0.960 311 Q CA 1.891 57.732 55.803 0.063 0.000 0.847 311 Q CB 0.046 28.800 28.738 0.027 0.000 0.915 311 Q HN 0.807 nan 8.270 nan 0.000 0.448 312 I N -2.288 118.302 120.570 0.034 0.000 2.368 312 I HA 0.215 4.385 4.170 -0.000 0.000 0.238 312 I C 1.234 177.390 176.117 0.064 0.000 1.076 312 I CA 0.347 61.666 61.300 0.031 0.000 1.397 312 I CB -0.434 37.567 38.000 0.003 0.000 1.141 312 I HN -0.145 nan 8.210 nan 0.000 0.430 313 A N 1.302 124.175 122.820 0.089 0.000 2.242 313 A HA 0.635 4.955 4.320 -0.000 0.000 0.304 313 A C -0.342 177.431 177.584 0.315 0.000 1.100 313 A CA -0.607 51.525 52.037 0.159 0.000 0.860 313 A CB 0.652 19.737 19.000 0.140 0.000 1.168 313 A HN 0.361 nan 8.150 nan 0.000 0.503 314 K N -0.229 120.319 120.400 0.246 0.000 2.328 314 K HA 0.400 4.720 4.320 -0.000 0.000 0.246 314 K C -2.373 174.214 176.600 -0.021 0.000 0.955 314 K CA -1.725 54.635 56.287 0.122 0.000 0.817 314 K CB 1.725 34.241 32.500 0.028 0.000 1.208 314 K HN 0.186 nan 8.250 nan 0.000 0.432 315 P HA -0.207 nan 4.420 nan 0.000 0.220 315 P C 0.881 178.090 177.300 -0.151 0.000 1.144 315 P CA 1.295 64.117 63.100 -0.462 0.000 0.800 315 P CB 0.162 31.524 31.700 -0.564 0.000 0.772 316 S N -2.139 113.503 115.700 -0.095 0.000 2.515 316 S HA -0.066 4.404 4.470 -0.000 0.000 0.231 316 S C 1.343 175.940 174.600 -0.006 0.000 0.987 316 S CA 0.781 58.955 58.200 -0.044 0.000 0.936 316 S CB -0.737 62.442 63.200 -0.035 0.000 0.766 316 S HN 0.079 nan 8.310 nan 0.000 0.528 317 D N 1.214 121.630 120.400 0.026 0.000 2.349 317 D HA 0.280 4.920 4.640 -0.000 0.000 0.215 317 D C 0.650 176.980 176.300 0.050 0.000 1.016 317 D CA 0.039 54.068 54.000 0.048 0.000 0.870 317 D CB -0.086 40.765 40.800 0.084 0.000 0.917 317 D HN 0.419 nan 8.370 nan 0.000 0.524 318 L N 1.039 122.292 121.223 0.049 0.000 2.468 318 L HA 0.163 4.503 4.340 -0.000 0.000 0.253 318 L C 1.078 177.953 176.870 0.009 0.000 1.237 318 L CA -0.597 54.268 54.840 0.040 0.000 0.823 318 L CB 0.315 42.394 42.059 0.034 0.000 1.124 318 L HN -0.023 nan 8.230 nan 0.000 0.504 319 I N -2.091 118.477 120.570 -0.003 0.000 2.575 319 I HA 0.165 4.335 4.170 -0.000 0.000 0.285 319 I C -1.882 174.223 176.117 -0.021 0.000 1.085 319 I CA -1.730 59.561 61.300 -0.015 0.000 1.403 319 I CB 0.339 38.325 38.000 -0.024 0.000 1.409 319 I HN 0.364 nan 8.210 nan 0.000 0.557 320 P HA -0.216 nan 4.420 nan 0.000 0.215 320 P C 1.107 178.389 177.300 -0.031 0.000 1.163 320 P CA 1.783 64.869 63.100 -0.024 0.000 0.894 320 P CB 0.117 31.804 31.700 -0.021 0.000 0.791 321 E N -1.093 119.086 120.200 -0.035 0.000 2.130 321 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 321 E C 1.861 178.429 176.600 -0.054 0.000 0.998 321 E CA 0.936 57.310 56.400 -0.044 0.000 0.806 321 E CB -1.092 28.579 29.700 -0.049 0.000 0.738 321 E HN 0.124 nan 8.360 nan 0.000 0.459 322 L N 0.654 121.844 121.223 -0.055 0.000 2.044 322 L HA -0.136 4.204 4.340 -0.000 0.000 0.205 322 L C 2.029 178.870 176.870 -0.048 0.000 1.075 322 L CA 1.771 56.573 54.840 -0.063 0.000 0.747 322 L CB -0.504 41.523 42.059 -0.054 0.000 0.903 322 L HN 0.092 nan 8.230 nan 0.000 0.435 323 Q N -1.022 118.756 119.800 -0.037 0.000 2.135 323 Q HA -0.175 4.164 4.340 -0.000 0.000 0.204 323 Q C 2.051 178.031 176.000 -0.033 0.000 0.981 323 Q CA 1.450 57.230 55.803 -0.037 0.000 0.856 323 Q CB -0.530 28.187 28.738 -0.036 0.000 0.902 323 Q HN 0.673 nan 8.270 nan 0.000 0.425 324 G N 0.526 109.306 108.800 -0.033 0.000 2.418 324 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 324 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 324 G C 1.385 176.270 174.900 -0.025 0.000 1.158 324 G CA 0.225 45.309 45.100 -0.027 0.000 0.771 324 G HN 0.106 nan 8.290 nan 0.000 0.545 325 R N -0.107 120.370 120.500 -0.038 0.000 2.319 325 R HA 0.235 4.575 4.340 -0.000 0.000 0.204 325 R C 0.307 176.595 176.300 -0.020 0.000 0.954 325 R CA 0.085 56.162 56.100 -0.038 0.000 1.066 325 R CB -0.134 30.117 30.300 -0.081 0.000 0.991 325 R HN 0.346 nan 8.270 nan 0.000 0.486 326 L N 1.879 123.093 121.223 -0.015 0.000 2.892 326 L HA 0.223 4.563 4.340 -0.000 0.000 0.251 326 L C -1.396 175.476 176.870 0.003 0.000 1.339 326 L CA -1.248 53.594 54.840 0.003 0.000 0.900 326 L CB 1.137 43.192 42.059 -0.008 0.000 1.246 326 L HN -0.156 nan 8.230 nan 0.000 0.524 327 P HA -0.238 nan 4.420 nan 0.000 0.216 327 P C 0.720 178.026 177.300 0.010 0.000 1.167 327 P CA 1.467 64.573 63.100 0.010 0.000 0.914 327 P CB 0.376 32.089 31.700 0.021 0.000 0.793 328 I N 0.777 121.361 120.570 0.024 0.000 2.471 328 I HA 0.116 4.285 4.170 -0.000 0.000 0.286 328 I C 0.943 177.070 176.117 0.017 0.000 1.079 328 I CA -0.146 61.169 61.300 0.025 0.000 1.398 328 I CB 0.325 38.350 38.000 0.042 0.000 1.403 328 I HN -0.102 nan 8.210 nan 0.000 0.530 329 R N 5.667 126.170 120.500 0.005 0.000 2.599 329 R HA 0.743 5.083 4.340 -0.000 0.000 0.295 329 R C -1.229 175.075 176.300 0.006 0.000 0.963 329 R CA -0.879 55.215 56.100 -0.009 0.000 0.883 329 R CB 2.395 32.670 30.300 -0.041 0.000 1.171 329 R HN 0.428 nan 8.270 nan 0.000 0.450 330 V N 1.691 121.616 119.914 0.018 0.000 2.932 330 V HA 0.394 4.514 4.120 -0.000 0.000 0.307 330 V C -1.182 174.936 176.094 0.041 0.000 1.147 330 V CA -0.662 61.657 62.300 0.032 0.000 0.951 330 V CB 2.604 34.457 31.823 0.049 0.000 1.031 330 V HN 0.749 nan 8.190 nan 0.000 0.426 331 E N 5.394 125.617 120.200 0.040 0.000 2.158 331 E HA 0.530 4.880 4.350 -0.000 0.000 0.271 331 E C -1.412 175.225 176.600 0.061 0.000 0.911 331 E CA -0.658 55.773 56.400 0.051 0.000 0.767 331 E CB 2.187 31.910 29.700 0.039 0.000 1.120 331 E HN 0.473 nan 8.360 nan 0.000 0.405 332 L N 2.562 123.832 121.223 0.078 0.000 2.379 332 L HA 0.241 4.581 4.340 -0.000 0.000 0.269 332 L C 0.027 176.940 176.870 0.071 0.000 1.084 332 L CA -0.334 54.553 54.840 0.078 0.000 0.802 332 L CB 0.711 42.827 42.059 0.095 0.000 1.175 332 L HN 0.423 nan 8.230 nan 0.000 0.448 333 Q N 0.926 120.765 119.800 0.065 0.000 2.257 333 Q HA 0.745 5.085 4.340 -0.000 0.000 0.262 333 Q C -0.328 175.712 176.000 0.065 0.000 0.997 333 Q CA -0.696 55.143 55.803 0.060 0.000 0.873 333 Q CB 1.541 30.308 28.738 0.050 0.000 1.312 333 Q HN 0.711 nan 8.270 nan 0.000 0.450 334 A N 1.649 124.506 122.820 0.061 0.000 2.547 334 A HA 0.233 4.552 4.320 -0.000 0.000 0.233 334 A C -0.458 177.165 177.584 0.066 0.000 1.067 334 A CA -0.071 52.003 52.037 0.061 0.000 0.763 334 A CB -0.076 18.954 19.000 0.049 0.000 1.007 334 A HN 0.664 nan 8.150 nan 0.000 0.506 335 L N 0.825 122.090 121.223 0.070 0.000 2.421 335 L HA 0.529 4.869 4.340 -0.000 0.000 0.263 335 L C 0.965 177.808 176.870 -0.046 0.000 1.122 335 L CA -0.426 54.439 54.840 0.040 0.000 0.804 335 L CB 1.413 43.568 42.059 0.160 0.000 1.150 335 L HN 0.931 nan 8.230 nan 0.000 0.457 336 T N -3.922 110.567 114.554 -0.108 0.000 2.942 336 T HA 0.245 4.594 4.350 -0.000 0.000 0.289 336 T C 0.887 175.390 174.700 -0.328 0.000 1.044 336 T CA -0.576 61.438 62.100 -0.143 0.000 1.023 336 T CB 1.593 70.393 68.868 -0.114 0.000 1.123 336 T HN 0.588 nan 8.240 nan 0.000 0.512 337 T N 1.465 115.783 114.554 -0.392 0.000 2.737 337 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 337 T C 2.315 176.949 174.700 -0.110 0.000 1.040 337 T CA 2.026 63.950 62.100 -0.294 0.000 1.142 337 T CB -0.800 67.836 68.868 -0.387 0.000 0.861 337 T HN 0.877 nan 8.240 nan 0.000 0.456 338 S N 2.187 117.815 115.700 -0.119 0.000 2.370 338 S HA -0.199 4.271 4.470 -0.000 0.000 0.226 338 S C 1.694 176.307 174.600 0.022 0.000 1.033 338 S CA 1.271 59.446 58.200 -0.042 0.000 1.011 338 S CB -0.588 62.580 63.200 -0.053 0.000 0.852 338 S HN 0.359 nan 8.310 nan 0.000 0.457 339 D N 0.983 121.394 120.400 0.019 0.000 2.123 339 D HA -0.033 4.606 4.640 -0.000 0.000 0.196 339 D C 1.608 178.067 176.300 0.266 0.000 0.992 339 D CA 0.921 54.984 54.000 0.104 0.000 0.833 339 D CB -0.399 40.451 40.800 0.083 0.000 0.954 339 D HN 0.350 nan 8.370 nan 0.000 0.455 340 F N 1.823 121.798 119.950 0.041 0.000 2.146 340 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 340 F C 2.332 178.137 175.800 0.008 0.000 1.096 340 F CA 0.655 58.676 58.000 0.035 0.000 1.275 340 F CB -0.857 38.185 39.000 0.070 0.000 1.008 340 F HN 0.059 nan 8.300 nan 0.000 0.480 341 E N -0.012 120.310 120.200 0.204 0.000 2.058 341 E HA -0.224 4.125 4.350 -0.000 0.000 0.194 341 E C 2.314 178.947 176.600 0.056 0.000 0.997 341 E CA 1.230 57.686 56.400 0.094 0.000 0.801 341 E CB -0.384 29.351 29.700 0.059 0.000 0.746 341 E HN 0.404 nan 8.360 nan 0.000 0.450 342 R N 0.692 121.231 120.500 0.064 0.000 2.082 342 R HA -0.126 4.214 4.340 -0.000 0.000 0.234 342 R C 2.588 178.908 176.300 0.034 0.000 1.136 342 R CA 1.422 57.545 56.100 0.039 0.000 0.935 342 R CB -0.604 29.720 30.300 0.041 0.000 0.842 342 R HN 0.165 nan 8.270 nan 0.000 0.430 343 I N 0.939 121.549 120.570 0.066 0.000 2.229 343 I HA -0.328 3.842 4.170 -0.000 0.000 0.250 343 I C 2.177 178.291 176.117 -0.005 0.000 1.096 343 I CA 0.920 62.245 61.300 0.041 0.000 1.358 343 I CB -0.247 37.788 38.000 0.059 0.000 1.047 343 I HN 0.167 nan 8.210 nan 0.000 0.422 344 L N 0.314 121.526 121.223 -0.018 0.000 2.079 344 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 344 L C 2.487 179.294 176.870 -0.104 0.000 1.081 344 L CA 2.685 57.480 54.840 -0.075 0.000 0.752 344 L CB -1.189 40.819 42.059 -0.085 0.000 0.896 344 L HN 0.528 nan 8.230 nan 0.000 0.433 345 T N -7.149 107.361 114.554 -0.073 0.000 3.010 345 T HA 0.089 4.438 4.350 -0.000 0.000 0.252 345 T C 1.492 176.166 174.700 -0.044 0.000 0.963 345 T CA 0.027 62.081 62.100 -0.076 0.000 0.952 345 T CB 0.017 68.839 68.868 -0.075 0.000 1.182 345 T HN 0.201 nan 8.240 nan 0.000 0.495 346 E N 2.155 122.337 120.200 -0.030 0.000 2.031 346 E HA 0.061 4.411 4.350 -0.000 0.000 0.193 346 E C -1.498 175.078 176.600 -0.040 0.000 0.994 346 E CA 0.467 56.850 56.400 -0.028 0.000 0.800 346 E CB -1.390 28.300 29.700 -0.017 0.000 0.752 346 E HN 0.448 nan 8.360 nan 0.000 0.447 347 P HA -0.103 nan 4.420 nan 0.000 0.270 347 P C -0.060 177.201 177.300 -0.065 0.000 1.216 347 P CA 0.499 63.572 63.100 -0.046 0.000 0.788 347 P CB 0.413 32.115 31.700 0.003 0.000 0.883 348 N N 0.533 119.161 118.700 -0.120 0.000 2.024 348 N HA -0.138 4.602 4.740 -0.000 0.000 0.189 348 N C 0.756 176.254 175.510 -0.021 0.000 1.095 348 N CA 0.907 53.900 53.050 -0.095 0.000 0.890 348 N CB -0.540 37.857 38.487 -0.151 0.000 1.050 348 N HN 0.410 nan 8.380 nan 0.000 0.429 349 A N 1.648 124.482 122.820 0.023 0.000 3.004 349 A HA 0.109 4.429 4.320 -0.000 0.000 0.252 349 A C 0.327 177.919 177.584 0.013 0.000 1.802 349 A CA -0.160 51.888 52.037 0.019 0.000 1.424 349 A CB -1.072 17.945 19.000 0.028 0.000 1.005 349 A HN 0.447 nan 8.150 nan 0.000 0.631 350 S N 0.509 116.208 115.700 -0.001 0.000 2.566 350 S HA 0.129 4.599 4.470 -0.000 0.000 0.280 350 S C 1.387 175.983 174.600 -0.007 0.000 1.343 350 S CA 0.083 58.277 58.200 -0.008 0.000 1.036 350 S CB 0.047 63.226 63.200 -0.035 0.000 0.866 350 S HN 0.975 nan 8.310 nan 0.000 0.526 351 I N -0.556 120.015 120.570 0.003 0.000 2.248 351 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 351 I C 2.053 178.187 176.117 0.028 0.000 1.107 351 I CA 1.941 63.258 61.300 0.029 0.000 1.373 351 I CB -1.570 36.474 38.000 0.073 0.000 1.055 351 I HN 0.646 nan 8.210 nan 0.000 0.418 352 T N 1.673 116.173 114.554 -0.091 0.000 2.643 352 T HA -0.102 4.248 4.350 -0.000 0.000 0.264 352 T C 2.061 176.760 174.700 -0.002 0.000 1.045 352 T CA 2.121 64.088 62.100 -0.222 0.000 1.155 352 T CB -0.373 68.226 68.868 -0.448 0.000 0.863 352 T HN 0.268 nan 8.240 nan 0.000 0.420 353 V N 1.734 121.643 119.914 -0.008 0.000 2.469 353 V HA -0.210 3.910 4.120 -0.000 0.000 0.251 353 V C 2.516 178.642 176.094 0.054 0.000 1.064 353 V CA 1.645 63.966 62.300 0.035 0.000 1.066 353 V CB -0.720 31.109 31.823 0.010 0.000 0.667 353 V HN 0.559 nan 8.190 nan 0.000 0.461 354 Q N -1.694 118.131 119.800 0.042 0.000 2.172 354 Q HA -0.165 4.175 4.340 -0.000 0.000 0.200 354 Q C 2.156 178.163 176.000 0.013 0.000 0.964 354 Q CA 1.562 57.372 55.803 0.013 0.000 0.855 354 Q CB -0.175 28.554 28.738 -0.014 0.000 0.918 354 Q HN 0.700 nan 8.270 nan 0.000 0.444 355 Y N 1.818 122.139 120.300 0.036 0.000 2.133 355 Y HA -0.175 4.375 4.550 -0.000 0.000 0.287 355 Y C 2.121 178.073 175.900 0.087 0.000 1.134 355 Y CA 1.432 59.579 58.100 0.078 0.000 1.133 355 Y CB 0.102 38.652 38.460 0.150 0.000 0.987 355 Y HN -0.106 nan 8.280 nan 0.000 0.502 356 K N -0.303 120.293 120.400 0.327 0.000 2.089 356 K HA -0.293 4.027 4.320 -0.000 0.000 0.210 356 K C 2.255 178.918 176.600 0.105 0.000 1.048 356 K CA 1.389 57.807 56.287 0.218 0.000 0.926 356 K CB -0.508 32.107 32.500 0.192 0.000 0.714 356 K HN 0.382 nan 8.250 nan 0.000 0.448 357 A N 1.598 124.455 122.820 0.062 0.000 1.851 357 A HA -0.190 4.129 4.320 -0.000 0.000 0.216 357 A C 2.198 179.778 177.584 -0.007 0.000 1.195 357 A CA 1.498 53.546 52.037 0.018 0.000 0.622 357 A CB -0.865 18.135 19.000 -0.000 0.000 0.831 357 A HN 0.180 nan 8.150 nan 0.000 0.444 358 L N -1.110 120.085 121.223 -0.047 0.000 1.990 358 L HA -0.287 4.053 4.340 -0.000 0.000 0.213 358 L C 2.909 179.755 176.870 -0.041 0.000 1.072 358 L CA 1.668 56.459 54.840 -0.081 0.000 0.755 358 L CB -0.609 41.336 42.059 -0.189 0.000 0.889 358 L HN 0.356 nan 8.230 nan 0.000 0.432 359 M N -0.488 119.112 119.600 -0.000 0.000 2.144 359 M HA -0.226 4.253 4.480 -0.000 0.000 0.260 359 M C 2.552 178.863 176.300 0.019 0.000 1.067 359 M CA 2.080 57.405 55.300 0.041 0.000 1.095 359 M CB -1.477 31.191 32.600 0.113 0.000 1.365 359 M HN 0.368 nan 8.290 nan 0.000 0.406 360 A N -0.417 122.415 122.820 0.019 0.000 1.978 360 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 360 A C 2.297 179.880 177.584 -0.002 0.000 1.170 360 A CA 2.194 54.236 52.037 0.009 0.000 0.636 360 A CB -1.131 17.876 19.000 0.012 0.000 0.810 360 A HN 0.494 nan 8.150 nan 0.000 0.448 361 T N 0.144 114.693 114.554 -0.009 0.000 2.803 361 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 361 T C 1.304 175.995 174.700 -0.016 0.000 1.052 361 T CA 1.498 63.589 62.100 -0.015 0.000 1.136 361 T CB -0.181 68.673 68.868 -0.024 0.000 0.864 361 T HN 0.477 nan 8.240 nan 0.000 0.467 362 E N 0.061 120.253 120.200 -0.014 0.000 2.437 362 E HA 0.227 4.577 4.350 -0.000 0.000 0.189 362 E C 1.516 178.108 176.600 -0.013 0.000 1.054 362 E CA 0.223 56.613 56.400 -0.016 0.000 0.874 362 E CB -0.054 29.636 29.700 -0.016 0.000 1.011 362 E HN 0.555 nan 8.360 nan 0.000 0.474 363 G N 0.892 109.686 108.800 -0.010 0.000 2.155 363 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.257 363 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.257 363 G C 0.419 175.314 174.900 -0.009 0.000 0.983 363 G CA 0.532 45.627 45.100 -0.009 0.000 0.676 363 G HN 0.192 nan 8.290 nan 0.000 0.528 364 V N 0.598 120.508 119.914 -0.007 0.000 2.539 364 V HA 0.467 4.587 4.120 -0.000 0.000 0.292 364 V C 0.512 176.600 176.094 -0.010 0.000 1.045 364 V CA -0.635 61.659 62.300 -0.011 0.000 0.945 364 V CB 1.914 33.732 31.823 -0.008 0.000 0.993 364 V HN 0.408 nan 8.190 nan 0.000 0.464 365 N N 4.299 122.985 118.700 -0.024 0.000 2.558 365 N HA 0.324 5.064 4.740 -0.000 0.000 0.242 365 N C -1.046 174.429 175.510 -0.059 0.000 0.979 365 N CA -0.648 52.387 53.050 -0.025 0.000 0.931 365 N CB 0.624 39.097 38.487 -0.023 0.000 1.122 365 N HN 0.457 nan 8.380 nan 0.000 0.508 366 I N 2.056 122.592 120.570 -0.057 0.000 2.532 366 I HA 0.315 4.485 4.170 -0.000 0.000 0.292 366 I C 0.326 176.356 176.117 -0.143 0.000 1.014 366 I CA -0.111 61.093 61.300 -0.160 0.000 1.340 366 I CB 1.253 39.158 38.000 -0.159 0.000 1.422 366 I HN 0.504 nan 8.210 nan 0.000 0.528 367 E N 4.508 124.539 120.200 -0.282 0.000 2.308 367 E HA 0.422 4.772 4.350 -0.000 0.000 0.275 367 E C -1.688 174.732 176.600 -0.300 0.000 0.890 367 E CA -0.531 55.781 56.400 -0.147 0.000 0.754 367 E CB 2.444 32.097 29.700 -0.079 0.000 1.207 367 E HN 0.209 nan 8.360 nan 0.000 0.426 368 F N 1.075 120.995 119.950 -0.051 0.000 2.404 368 F HA 0.240 4.767 4.527 -0.000 0.000 0.354 368 F C 0.966 176.749 175.800 -0.028 0.000 1.122 368 F CA -0.414 57.556 58.000 -0.050 0.000 1.080 368 F CB 1.614 40.589 39.000 -0.041 0.000 1.131 368 F HN 0.183 nan 8.300 nan 0.000 0.471 369 T N 2.617 117.231 114.554 0.100 0.000 2.932 369 T HA -0.039 4.311 4.350 -0.000 0.000 0.312 369 T C 0.852 175.613 174.700 0.102 0.000 1.071 369 T CA 0.024 62.168 62.100 0.074 0.000 1.128 369 T CB 0.579 69.474 68.868 0.045 0.000 0.984 369 T HN 0.559 nan 8.240 nan 0.000 0.549 370 D N 1.299 121.740 120.400 0.070 0.000 2.123 370 D HA -0.075 4.565 4.640 -0.000 0.000 0.196 370 D C 2.162 178.497 176.300 0.058 0.000 0.992 370 D CA 1.286 55.321 54.000 0.059 0.000 0.833 370 D CB -0.002 40.820 40.800 0.037 0.000 0.954 370 D HN 0.366 nan 8.370 nan 0.000 0.455 371 S N -0.711 115.021 115.700 0.054 0.000 2.402 371 S HA -0.040 4.430 4.470 -0.000 0.000 0.229 371 S C 2.010 176.655 174.600 0.074 0.000 1.021 371 S CA 0.952 59.183 58.200 0.052 0.000 0.974 371 S CB -0.431 62.795 63.200 0.043 0.000 0.800 371 S HN 0.410 nan 8.310 nan 0.000 0.484 372 G N 2.401 111.258 108.800 0.096 0.000 2.459 372 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 372 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 372 G C 1.262 176.250 174.900 0.148 0.000 1.183 372 G CA 0.761 45.941 45.100 0.134 0.000 0.776 372 G HN 0.419 nan 8.290 nan 0.000 0.552 373 I N 1.093 121.745 120.570 0.137 0.000 2.335 373 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 373 I C 2.492 178.650 176.117 0.069 0.000 1.129 373 I CA 1.410 62.757 61.300 0.078 0.000 1.402 373 I CB -0.831 37.191 38.000 0.038 0.000 1.069 373 I HN 0.219 nan 8.210 nan 0.000 0.424 374 K N 0.872 121.312 120.400 0.067 0.000 2.007 374 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 374 K C 2.236 178.879 176.600 0.070 0.000 1.047 374 K CA 1.129 57.450 56.287 0.056 0.000 0.937 374 K CB -0.019 32.503 32.500 0.038 0.000 0.718 374 K HN -0.103 nan 8.250 nan 0.000 0.438 375 R N 0.691 121.237 120.500 0.077 0.000 2.105 375 R HA -0.039 4.301 4.340 -0.000 0.000 0.239 375 R C 2.020 178.383 176.300 0.105 0.000 1.135 375 R CA 1.432 57.584 56.100 0.086 0.000 0.967 375 R CB -0.480 29.874 30.300 0.089 0.000 0.861 375 R HN 0.321 nan 8.270 nan 0.000 0.442 376 I N -0.476 120.159 120.570 0.109 0.000 2.133 376 I HA -0.267 3.903 4.170 -0.000 0.000 0.238 376 I C 2.310 178.507 176.117 0.135 0.000 1.074 376 I CA 1.389 62.755 61.300 0.109 0.000 1.342 376 I CB -0.591 37.460 38.000 0.085 0.000 1.053 376 I HN 0.197 nan 8.210 nan 0.000 0.404 377 A N 0.647 123.557 122.820 0.151 0.000 1.927 377 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 377 A C 2.188 179.965 177.584 0.322 0.000 1.185 377 A CA 2.113 54.315 52.037 0.275 0.000 0.639 377 A CB -0.780 18.373 19.000 0.255 0.000 0.820 377 A HN 0.508 nan 8.150 nan 0.000 0.451 378 E N -0.457 119.859 120.200 0.194 0.000 2.077 378 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 378 E C 2.389 179.125 176.600 0.228 0.000 0.989 378 E CA 0.948 57.449 56.400 0.168 0.000 0.800 378 E CB -0.325 29.424 29.700 0.082 0.000 0.746 378 E HN 0.649 nan 8.360 nan 0.000 0.452 379 A N 1.806 124.737 122.820 0.185 0.000 1.845 379 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 379 A C 2.455 180.158 177.584 0.198 0.000 1.195 379 A CA 1.915 54.052 52.037 0.165 0.000 0.616 379 A CB -0.962 18.113 19.000 0.126 0.000 0.832 379 A HN 0.301 nan 8.150 nan 0.000 0.443 380 A N -0.789 122.157 122.820 0.210 0.000 1.859 380 A HA -0.280 4.039 4.320 -0.000 0.000 0.218 380 A C 2.121 179.891 177.584 0.310 0.000 1.209 380 A CA 1.970 54.134 52.037 0.211 0.000 0.639 380 A CB -1.378 17.716 19.000 0.157 0.000 0.835 380 A HN 0.946 nan 8.150 nan 0.000 0.450 381 W N 0.963 122.434 121.300 0.284 0.000 2.290 381 W HA -0.347 4.312 4.660 -0.001 0.000 0.323 381 W C 2.115 178.689 176.519 0.091 0.000 1.260 381 W CA 3.049 60.492 57.345 0.165 0.000 1.266 381 W CB -0.870 28.605 29.460 0.024 0.000 1.149 381 W HN 0.558 nan 8.180 nan 0.000 0.482 382 Q N 0.795 120.829 119.800 0.390 0.000 2.029 382 Q HA -0.235 4.105 4.340 -0.000 0.000 0.209 382 Q C 2.149 178.181 176.000 0.054 0.000 0.999 382 Q CA 3.641 59.592 55.803 0.248 0.000 0.857 382 Q CB -1.026 27.845 28.738 0.223 0.000 0.926 382 Q HN 0.172 nan 8.270 nan 0.000 0.415 383 V N 1.246 121.197 119.914 0.062 0.000 2.287 383 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 383 V C 2.134 178.203 176.094 -0.042 0.000 1.053 383 V CA 2.276 64.589 62.300 0.021 0.000 1.027 383 V CB -1.003 30.846 31.823 0.042 0.000 0.646 383 V HN 0.506 nan 8.190 nan 0.000 0.447 384 N N -0.240 118.415 118.700 -0.074 0.000 2.205 384 N HA -0.258 4.482 4.740 -0.000 0.000 0.186 384 N C 1.931 177.299 175.510 -0.238 0.000 1.015 384 N CA 1.378 54.344 53.050 -0.140 0.000 0.862 384 N CB -0.023 38.375 38.487 -0.148 0.000 0.986 384 N HN 0.586 nan 8.380 nan 0.000 0.429 385 E N 0.798 120.802 120.200 -0.325 0.000 2.122 385 E HA -0.040 4.310 4.350 -0.000 0.000 0.190 385 E C 1.611 178.136 176.600 -0.125 0.000 0.977 385 E CA 1.126 57.339 56.400 -0.312 0.000 0.820 385 E CB -0.046 29.428 29.700 -0.377 0.000 0.770 385 E HN 0.245 nan 8.360 nan 0.000 0.462 386 S N -1.540 114.120 115.700 -0.067 0.000 2.556 386 S HA 0.131 4.601 4.470 -0.000 0.000 0.216 386 S C 1.094 175.684 174.600 -0.017 0.000 0.970 386 S CA 0.443 58.632 58.200 -0.019 0.000 0.912 386 S CB 0.020 63.228 63.200 0.013 0.000 0.790 386 S HN 0.388 nan 8.310 nan 0.000 0.504 387 T N -1.206 113.328 114.554 -0.034 0.000 2.812 387 T HA 0.439 4.789 4.350 -0.000 0.000 0.137 387 T C -1.066 173.610 174.700 -0.039 0.000 0.815 387 T CA -0.228 61.858 62.100 -0.024 0.000 0.763 387 T CB 0.179 69.041 68.868 -0.011 0.000 2.198 387 T HN 0.088 nan 8.240 nan 0.000 0.333 388 E N 2.054 122.229 120.200 -0.043 0.000 2.191 388 E HA 0.471 4.821 4.350 -0.000 0.000 0.263 388 E C -1.251 175.314 176.600 -0.059 0.000 0.881 388 E CA -0.595 55.777 56.400 -0.047 0.000 0.757 388 E CB 1.175 30.852 29.700 -0.039 0.000 1.147 388 E HN 0.459 nan 8.360 nan 0.000 0.414 389 N N 4.539 123.195 118.700 -0.074 0.000 2.420 389 N HA 0.079 4.819 4.740 -0.000 0.000 0.262 389 N C 0.145 175.629 175.510 -0.044 0.000 1.144 389 N CA 0.139 53.136 53.050 -0.088 0.000 0.952 389 N CB 0.443 38.857 38.487 -0.123 0.000 1.081 389 N HN 0.684 nan 8.380 nan 0.000 0.480 390 I N 0.900 121.455 120.570 -0.026 0.000 3.947 390 I HA 0.417 4.587 4.170 -0.000 0.000 0.327 390 I C 0.865 176.986 176.117 0.007 0.000 1.519 390 I CA -0.490 60.803 61.300 -0.011 0.000 1.122 390 I CB 0.101 38.089 38.000 -0.021 0.000 1.146 390 I HN 0.528 nan 8.210 nan 0.000 0.442 391 G N 2.199 111.034 108.800 0.058 0.000 2.552 391 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.265 391 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.265 391 G C 0.829 175.773 174.900 0.074 0.000 1.234 391 G CA 0.542 45.735 45.100 0.155 0.000 0.944 391 G HN 0.784 nan 8.290 nan 0.000 0.568 392 A N -0.375 122.430 122.820 -0.026 0.000 2.125 392 A HA 0.019 4.339 4.320 -0.000 0.000 0.219 392 A C 2.399 179.661 177.584 -0.536 0.000 1.156 392 A CA 2.152 53.931 52.037 -0.430 0.000 0.671 392 A CB -0.408 18.483 19.000 -0.182 0.000 0.794 392 A HN 0.711 nan 8.150 nan 0.000 0.459 393 R N -0.964 119.336 120.500 -0.334 0.000 2.083 393 R HA -0.191 4.149 4.340 -0.000 0.000 0.237 393 R C 2.328 178.378 176.300 -0.417 0.000 1.137 393 R CA 1.569 57.450 56.100 -0.364 0.000 0.951 393 R CB -0.338 29.899 30.300 -0.105 0.000 0.851 393 R HN 0.381 nan 8.270 nan 0.000 0.434 394 R N 1.521 121.854 120.500 -0.279 0.000 2.133 394 R HA -0.135 4.205 4.340 -0.000 0.000 0.247 394 R C 1.985 178.148 176.300 -0.229 0.000 1.151 394 R CA 1.510 57.496 56.100 -0.188 0.000 0.971 394 R CB -0.882 29.358 30.300 -0.100 0.000 0.866 394 R HN 0.273 nan 8.270 nan 0.000 0.447 395 L N -0.408 120.561 121.223 -0.424 0.000 2.081 395 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 395 L C 2.363 179.160 176.870 -0.121 0.000 1.080 395 L CA 1.627 56.272 54.840 -0.325 0.000 0.754 395 L CB -0.699 41.087 42.059 -0.454 0.000 0.893 395 L HN 0.363 nan 8.230 nan 0.000 0.433 396 H N -0.514 118.512 119.070 -0.073 0.000 2.270 396 H HA -0.129 4.427 4.556 -0.000 0.000 0.299 396 H C 2.388 177.726 175.328 0.017 0.000 1.077 396 H CA 1.949 57.986 56.048 -0.017 0.000 1.294 396 H CB -1.100 28.651 29.762 -0.017 0.000 1.371 396 H HN 0.306 nan 8.280 nan 0.000 0.491 397 T N 1.218 115.856 114.554 0.140 0.000 2.665 397 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 397 T C 2.464 177.214 174.700 0.084 0.000 1.035 397 T CA 1.616 63.773 62.100 0.096 0.000 1.151 397 T CB -0.719 68.185 68.868 0.061 0.000 0.862 397 T HN 0.079 nan 8.240 nan 0.000 0.438 398 V N 1.512 121.461 119.914 0.058 0.000 2.295 398 V HA -0.086 4.034 4.120 -0.000 0.000 0.246 398 V C 2.509 178.648 176.094 0.074 0.000 1.049 398 V CA 1.220 63.557 62.300 0.062 0.000 1.024 398 V CB -0.706 31.145 31.823 0.047 0.000 0.648 398 V HN 0.414 nan 8.190 nan 0.000 0.447 399 L N -0.276 120.992 121.223 0.074 0.000 2.079 399 L HA -0.161 4.178 4.340 -0.000 0.000 0.210 399 L C 2.767 179.699 176.870 0.104 0.000 1.081 399 L CA 1.822 56.706 54.840 0.074 0.000 0.752 399 L CB -0.451 41.664 42.059 0.094 0.000 0.896 399 L HN 0.398 nan 8.230 nan 0.000 0.433 400 E N -0.099 120.199 120.200 0.165 0.000 2.028 400 E HA -0.250 4.100 4.350 -0.000 0.000 0.191 400 E C 2.076 178.768 176.600 0.152 0.000 0.988 400 E CA 1.049 57.572 56.400 0.206 0.000 0.799 400 E CB -0.223 29.578 29.700 0.167 0.000 0.755 400 E HN 0.316 nan 8.360 nan 0.000 0.447 401 R N 1.168 121.738 120.500 0.117 0.000 2.097 401 R HA -0.166 4.174 4.340 -0.000 0.000 0.236 401 R C 2.380 178.743 176.300 0.104 0.000 1.135 401 R CA 1.502 57.666 56.100 0.107 0.000 0.934 401 R CB -1.220 29.137 30.300 0.096 0.000 0.846 401 R HN 0.209 nan 8.270 nan 0.000 0.431 402 L N 0.084 121.359 121.223 0.086 0.000 2.010 402 L HA -0.175 4.165 4.340 -0.000 0.000 0.219 402 L C 1.553 178.425 176.870 0.003 0.000 1.077 402 L CA 2.133 57.007 54.840 0.058 0.000 0.773 402 L CB -0.433 41.661 42.059 0.059 0.000 0.892 402 L HN 0.358 nan 8.230 nan 0.000 0.436 403 M N -0.813 118.765 119.600 -0.037 0.000 2.571 403 M HA 0.088 4.567 4.480 -0.000 0.000 0.235 403 M C 1.535 177.903 176.300 0.114 0.000 1.216 403 M CA 0.296 55.548 55.300 -0.079 0.000 0.979 403 M CB -0.674 31.620 32.600 -0.511 0.000 1.616 403 M HN 0.378 nan 8.290 nan 0.000 0.469 404 E N 1.123 121.405 120.200 0.137 0.000 2.028 404 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 404 E C 1.489 178.201 176.600 0.187 0.000 0.984 404 E CA 1.074 57.576 56.400 0.170 0.000 0.800 404 E CB 0.112 29.892 29.700 0.135 0.000 0.758 404 E HN 0.602 nan 8.360 nan 0.000 0.448 405 E N 0.732 121.041 120.200 0.182 0.000 2.085 405 E HA -0.185 4.164 4.350 -0.000 0.000 0.194 405 E C 2.189 178.917 176.600 0.214 0.000 0.994 405 E CA 0.837 57.363 56.400 0.210 0.000 0.801 405 E CB -0.093 29.756 29.700 0.247 0.000 0.743 405 E HN 0.270 nan 8.360 nan 0.000 0.453 406 I N 0.441 121.113 120.570 0.170 0.000 2.163 406 I HA -0.258 3.912 4.170 -0.000 0.000 0.240 406 I C 2.689 178.894 176.117 0.146 0.000 1.081 406 I CA 0.779 62.151 61.300 0.119 0.000 1.353 406 I CB -0.333 37.680 38.000 0.022 0.000 1.054 406 I HN 0.076 nan 8.210 nan 0.000 0.407 407 S N 0.001 115.821 115.700 0.199 0.000 2.387 407 S HA -0.283 4.187 4.470 -0.000 0.000 0.230 407 S C 2.121 176.826 174.600 0.174 0.000 1.035 407 S CA 1.635 59.959 58.200 0.207 0.000 1.014 407 S CB -0.410 62.942 63.200 0.254 0.000 0.836 407 S HN 0.479 nan 8.310 nan 0.000 0.466 408 Y N 1.792 122.139 120.300 0.079 0.000 2.220 408 Y HA -0.009 4.541 4.550 -0.000 0.000 0.291 408 Y C 1.963 177.891 175.900 0.047 0.000 1.129 408 Y CA 1.704 59.839 58.100 0.057 0.000 1.161 408 Y CB -0.505 37.990 38.460 0.058 0.000 0.997 408 Y HN 0.260 nan 8.280 nan 0.000 0.522 409 D N -0.011 120.429 120.400 0.067 0.000 2.088 409 D HA -0.150 4.489 4.640 -0.000 0.000 0.196 409 D C 2.155 178.420 176.300 -0.059 0.000 0.983 409 D CA 1.891 55.880 54.000 -0.019 0.000 0.846 409 D CB -1.069 39.768 40.800 0.061 0.000 0.992 409 D HN 0.394 nan 8.370 nan 0.000 0.448 410 A N 0.367 123.184 122.820 -0.004 0.000 5.017 410 A HA -0.430 3.890 4.320 -0.000 0.000 0.368 410 A C 2.197 179.763 177.584 -0.031 0.000 1.562 410 A CA 3.779 55.811 52.037 -0.009 0.000 0.699 410 A CB -1.901 17.097 19.000 -0.004 0.000 1.542 410 A HN 0.279 nan 8.150 nan 0.000 0.438 411 S N 0.224 115.892 115.700 -0.053 0.000 2.393 411 S HA -0.242 4.228 4.470 -0.000 0.000 0.234 411 S C 1.115 175.688 174.600 -0.045 0.000 1.064 411 S CA 1.858 60.026 58.200 -0.053 0.000 1.088 411 S CB -0.679 62.477 63.200 -0.074 0.000 0.939 411 S HN 0.724 nan 8.310 nan 0.000 0.448 412 D N 0.337 120.706 120.400 -0.052 0.000 2.332 412 D HA 0.109 4.749 4.640 -0.000 0.000 0.244 412 D C 0.237 176.527 176.300 -0.017 0.000 1.136 412 D CA 0.333 54.312 54.000 -0.034 0.000 0.884 412 D CB 0.178 40.956 40.800 -0.035 0.000 0.906 412 D HN 0.225 nan 8.370 nan 0.000 0.520 413 L N -0.344 120.869 121.223 -0.017 0.000 3.298 413 L HA 0.105 4.445 4.340 -0.000 0.000 0.296 413 L C 0.593 177.455 176.870 -0.014 0.000 1.237 413 L CA -0.230 54.603 54.840 -0.011 0.000 1.038 413 L CB 0.177 42.232 42.059 -0.008 0.000 1.423 413 L HN -0.241 nan 8.230 nan 0.000 0.605 414 S N 0.264 115.955 115.700 -0.015 0.000 2.573 414 S HA 0.280 4.750 4.470 -0.000 0.000 0.297 414 S C 1.578 176.171 174.600 -0.012 0.000 1.280 414 S CA 1.227 59.418 58.200 -0.014 0.000 1.061 414 S CB 0.115 63.306 63.200 -0.015 0.000 0.812 414 S HN 0.865 nan 8.310 nan 0.000 0.500 415 G N 3.335 112.128 108.800 -0.012 0.000 2.179 415 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.260 415 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.260 415 G C -0.075 174.817 174.900 -0.013 0.000 0.977 415 G CA 0.541 45.634 45.100 -0.011 0.000 0.641 415 G HN 0.794 nan 8.290 nan 0.000 0.533 416 Q N -0.088 119.702 119.800 -0.017 0.000 2.226 416 Q HA 0.522 4.862 4.340 -0.000 0.000 0.256 416 Q C -0.686 175.296 176.000 -0.031 0.000 0.962 416 Q CA -0.821 54.970 55.803 -0.021 0.000 0.887 416 Q CB 0.947 29.673 28.738 -0.020 0.000 1.282 416 Q HN 0.186 nan 8.270 nan 0.000 0.449 417 N N 2.248 120.927 118.700 -0.036 0.000 2.707 417 N HA 0.279 5.019 4.740 -0.000 0.000 0.235 417 N C -0.902 174.564 175.510 -0.074 0.000 1.028 417 N CA -0.164 52.856 53.050 -0.050 0.000 0.906 417 N CB 0.783 39.246 38.487 -0.039 0.000 1.131 417 N HN 0.442 nan 8.380 nan 0.000 0.509 418 I N 1.289 121.795 120.570 -0.106 0.000 2.371 418 I HA 0.118 4.288 4.170 -0.000 0.000 0.290 418 I C 1.175 177.150 176.117 -0.236 0.000 1.028 418 I CA -0.123 61.080 61.300 -0.161 0.000 1.345 418 I CB 0.842 38.724 38.000 -0.196 0.000 1.407 418 I HN 0.197 nan 8.210 nan 0.000 0.501 419 T N 6.559 120.974 114.554 -0.232 0.000 2.779 419 T HA 0.463 4.813 4.350 -0.000 0.000 0.280 419 T C -0.184 174.301 174.700 -0.359 0.000 0.987 419 T CA -0.698 61.245 62.100 -0.261 0.000 0.966 419 T CB 0.676 69.460 68.868 -0.140 0.000 0.933 419 T HN 0.237 nan 8.240 nan 0.000 0.442 420 I N 6.881 127.152 120.570 -0.498 0.000 2.241 420 I HA 0.229 4.398 4.170 -0.000 0.000 0.294 420 I C 0.818 176.835 176.117 -0.167 0.000 1.145 420 I CA -0.687 60.316 61.300 -0.496 0.000 1.261 420 I CB -0.743 36.797 38.000 -0.767 0.000 1.475 420 I HN 0.768 nan 8.210 nan 0.000 0.533 421 D N 4.301 124.676 120.400 -0.041 0.000 2.423 421 D HA 0.232 4.872 4.640 -0.000 0.000 0.255 421 D C 1.016 177.372 176.300 0.093 0.000 1.174 421 D CA -0.552 53.468 54.000 0.033 0.000 1.008 421 D CB 1.499 42.320 40.800 0.035 0.000 1.101 421 D HN 0.266 nan 8.370 nan 0.000 0.516 422 A N 0.405 123.274 122.820 0.082 0.000 2.076 422 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 422 A C 1.538 179.181 177.584 0.098 0.000 1.160 422 A CA 1.843 53.934 52.037 0.090 0.000 0.653 422 A CB -0.735 18.305 19.000 0.065 0.000 0.801 422 A HN 0.637 nan 8.150 nan 0.000 0.455 423 D N -2.260 118.199 120.400 0.099 0.000 2.149 423 D HA -0.095 4.545 4.640 -0.000 0.000 0.201 423 D C 1.599 177.975 176.300 0.126 0.000 0.972 423 D CA 1.155 55.209 54.000 0.090 0.000 0.835 423 D CB -0.249 40.595 40.800 0.074 0.000 0.966 423 D HN 0.595 nan 8.370 nan 0.000 0.476 424 Y N 0.824 121.156 120.300 0.054 0.000 2.242 424 Y HA -0.140 4.410 4.550 0.000 0.000 0.291 424 Y C 1.925 177.905 175.900 0.133 0.000 1.137 424 Y CA 0.894 59.053 58.100 0.097 0.000 1.181 424 Y CB -0.034 38.421 38.460 -0.009 0.000 0.989 424 Y HN -0.164 nan 8.280 nan 0.000 0.527 425 V N -1.213 118.855 119.914 0.257 0.000 2.667 425 V HA -0.210 3.910 4.120 -0.000 0.000 0.252 425 V C 2.143 178.313 176.094 0.128 0.000 1.065 425 V CA 1.930 64.346 62.300 0.193 0.000 1.083 425 V CB -0.461 31.460 31.823 0.165 0.000 0.692 425 V HN 0.326 nan 8.190 nan 0.000 0.468 426 S N 0.263 116.018 115.700 0.092 0.000 2.421 426 S HA -0.084 4.386 4.470 -0.000 0.000 0.224 426 S C 1.979 176.586 174.600 0.013 0.000 1.035 426 S CA 1.072 59.304 58.200 0.053 0.000 0.953 426 S CB -0.135 63.089 63.200 0.041 0.000 0.810 426 S HN 0.646 nan 8.310 nan 0.000 0.497 427 K N 1.828 122.216 120.400 -0.020 0.000 2.209 427 K HA -0.070 4.250 4.320 -0.000 0.000 0.204 427 K C 1.375 177.837 176.600 -0.230 0.000 1.048 427 K CA 1.647 57.853 56.287 -0.134 0.000 0.940 427 K CB -0.476 31.908 32.500 -0.193 0.000 0.729 427 K HN 0.464 nan 8.250 nan 0.000 0.451 428 H N -0.902 118.070 119.070 -0.163 0.000 2.592 428 H HA 0.255 4.812 4.556 0.000 0.000 0.265 428 H C 1.119 176.424 175.328 -0.038 0.000 0.955 428 H CA 0.897 56.868 56.048 -0.128 0.000 1.175 428 H CB 0.673 30.333 29.762 -0.171 0.000 1.433 428 H HN 0.161 nan 8.280 nan 0.000 0.537 429 L N -0.766 120.510 121.223 0.087 0.000 2.953 429 L HA 0.067 4.407 4.340 -0.000 0.000 0.258 429 L C 1.482 178.384 176.870 0.052 0.000 1.100 429 L CA 0.005 54.891 54.840 0.075 0.000 0.971 429 L CB 0.485 42.601 42.059 0.096 0.000 1.474 429 L HN -0.115 nan 8.230 nan 0.000 0.540 430 D N 1.656 122.080 120.400 0.040 0.000 2.106 430 D HA -0.207 4.433 4.640 -0.000 0.000 0.191 430 D C 2.164 178.478 176.300 0.024 0.000 0.997 430 D CA 1.882 55.902 54.000 0.033 0.000 0.834 430 D CB 0.028 40.841 40.800 0.022 0.000 0.956 430 D HN 0.312 nan 8.370 nan 0.000 0.448 431 A N 0.390 123.214 122.820 0.007 0.000 1.865 431 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 431 A C 2.274 179.866 177.584 0.013 0.000 1.191 431 A CA 1.151 53.189 52.037 0.002 0.000 0.623 431 A CB -0.924 18.066 19.000 -0.017 0.000 0.826 431 A HN 0.170 nan 8.150 nan 0.000 0.444 432 L N -0.299 120.936 121.223 0.019 0.000 1.971 432 L HA -0.210 4.130 4.340 -0.000 0.000 0.215 432 L C 2.617 179.513 176.870 0.043 0.000 1.072 432 L CA 2.019 56.878 54.840 0.032 0.000 0.758 432 L CB -0.654 41.432 42.059 0.044 0.000 0.889 432 L HN 0.232 nan 8.230 nan 0.000 0.433 433 V N -0.480 119.464 119.914 0.050 0.000 2.453 433 V HA -0.347 3.773 4.120 -0.000 0.000 0.252 433 V C 2.627 178.751 176.094 0.050 0.000 1.068 433 V CA 1.671 64.006 62.300 0.058 0.000 1.070 433 V CB -1.345 30.520 31.823 0.069 0.000 0.664 433 V HN 0.560 nan 8.190 nan 0.000 0.461 434 A N -0.628 122.216 122.820 0.040 0.000 1.898 434 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 434 A C 1.569 179.171 177.584 0.030 0.000 1.181 434 A CA 1.276 53.333 52.037 0.033 0.000 0.620 434 A CB -0.383 18.631 19.000 0.023 0.000 0.819 434 A HN 0.515 nan 8.150 nan 0.000 0.442 435 D N 0.265 120.681 120.400 0.027 0.000 2.416 435 D HA 0.081 4.721 4.640 -0.000 0.000 0.240 435 D C 0.691 177.015 176.300 0.040 0.000 1.250 435 D CA 0.052 54.067 54.000 0.025 0.000 0.967 435 D CB 0.317 41.126 40.800 0.016 0.000 1.059 435 D HN 0.478 nan 8.370 nan 0.000 0.512 436 E N 2.156 122.380 120.200 0.041 0.000 2.160 436 E HA -0.217 4.132 4.350 -0.000 0.000 0.195 436 E C 0.973 177.617 176.600 0.074 0.000 0.991 436 E CA 0.870 57.300 56.400 0.050 0.000 0.810 436 E CB 0.327 30.051 29.700 0.040 0.000 0.742 436 E HN 0.535 nan 8.360 nan 0.000 0.466 437 D N 0.067 120.512 120.400 0.076 0.000 2.077 437 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 437 D C 1.966 178.379 176.300 0.188 0.000 0.986 437 D CA 0.729 54.805 54.000 0.127 0.000 0.829 437 D CB -0.033 40.808 40.800 0.068 0.000 0.983 437 D HN -0.003 nan 8.370 nan 0.000 0.453 438 L N 0.946 122.227 121.223 0.096 0.000 2.034 438 L HA -0.241 4.099 4.340 -0.000 0.000 0.217 438 L C 2.636 179.601 176.870 0.159 0.000 1.077 438 L CA 2.265 57.165 54.840 0.101 0.000 0.769 438 L CB -1.757 40.325 42.059 0.038 0.000 0.890 438 L HN 0.306 nan 8.230 nan 0.000 0.435 439 S N -0.592 115.175 115.700 0.113 0.000 2.400 439 S HA -0.222 4.248 4.470 -0.000 0.000 0.232 439 S C 1.957 176.617 174.600 0.099 0.000 1.025 439 S CA 0.924 59.179 58.200 0.093 0.000 0.993 439 S CB -0.429 62.811 63.200 0.066 0.000 0.808 439 S HN 0.428 nan 8.310 nan 0.000 0.478 440 R N -0.775 119.800 120.500 0.126 0.000 2.235 440 R HA 0.154 4.493 4.340 -0.000 0.000 0.213 440 R C 1.385 177.687 176.300 0.002 0.000 1.059 440 R CA 1.097 57.234 56.100 0.061 0.000 0.997 440 R CB -0.256 30.082 30.300 0.065 0.000 0.884 440 R HN 0.529 nan 8.270 nan 0.000 0.462 441 F N -0.891 119.064 119.950 0.008 0.000 2.453 441 F HA 0.084 4.611 4.527 0.000 0.000 0.284 441 F C 1.992 177.800 175.800 0.013 0.000 1.065 441 F CA 0.366 58.371 58.000 0.009 0.000 1.411 441 F CB 0.311 39.315 39.000 0.007 0.000 1.131 441 F HN -0.157 nan 8.300 nan 0.000 0.582 442 I N -0.561 120.133 120.570 0.208 0.000 3.039 442 I HA 0.105 4.275 4.170 -0.000 0.000 0.270 442 I C 0.906 177.075 176.117 0.087 0.000 1.150 442 I CA 0.626 62.003 61.300 0.128 0.000 1.448 442 I CB -0.826 37.241 38.000 0.111 0.000 1.197 442 I HN -0.108 nan 8.210 nan 0.000 0.450 443 L N 0.000 121.270 121.223 0.079 0.000 2.949 443 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 443 L CA 0.000 54.877 54.840 0.062 0.000 0.813 443 L CB 0.000 42.096 42.059 0.061 0.000 0.961 443 L HN 0.000 nan 8.230 nan 0.000 0.502