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 1kmn_1_D DATA FIRST_RESID 2 DATA SEQUENCE AKNIQAIRGM NDYLPGETAI WQRIEGTLKN VLGSYGYSEI RLPIVEQTPL DATA SEQUENCE FKRAIGEVTD VVEKEMYTFE DRNGDSLTLR PEGTAGCVRA GIEHGLLYNQ DATA SEQUENCE EQRLWYIGPM FRHERPQKGR YRQFHQLGCE VFGLQGPDID AELIMLTARW DATA SEQUENCE WRALGISEHV TLELNSIGXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXLDE ESREHFAGLC KLLESAGIAY DATA SEQUENCE TVNQRLVRGL DYYNRTVFEW VTNSLGSQGT VCAGGRYDGL VEQLGGRATP DATA SEQUENCE AVGFAMGLER LVLLVQAVNP EFKADPVVDI YLVASGADTQ SAAMALAERL DATA SEQUENCE RDELPGVKLM TNHGGGNFKK QFARADKWGA RVAVVLGESE VANGTAVVKD DATA SEQUENCE LRSGEQTAVA QDSVAAHLRT LLG 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 K N -0.218 120.179 120.400 -0.005 0.000 2.386 3 K HA 0.644 nan 4.320 nan 0.000 0.249 3 K C -0.507 176.090 176.600 -0.005 0.000 1.055 3 K CA 0.539 56.824 56.287 -0.004 0.000 0.930 3 K CB 0.270 32.767 32.500 -0.004 0.000 1.230 3 K HN 1.886 10.133 8.250 -0.005 0.000 0.507 4 N N -1.697 116.999 118.700 -0.005 0.000 2.324 4 N HA 0.080 nan 4.740 nan 0.000 0.285 4 N C -1.790 173.715 175.510 -0.007 0.000 1.076 4 N CA -0.330 52.715 53.050 -0.007 0.000 0.864 4 N CB 1.732 40.215 38.487 -0.006 0.000 1.632 4 N HN 0.080 8.457 8.380 -0.005 0.000 0.478 5 I N 1.642 122.207 120.570 -0.009 0.000 2.396 5 I HA 0.155 nan 4.170 nan 0.000 0.292 5 I C -0.225 175.885 176.117 -0.011 0.000 0.999 5 I CA -0.341 60.954 61.300 -0.010 0.000 1.310 5 I CB 0.894 38.886 38.000 -0.013 0.000 1.404 5 I HN 0.251 8.455 8.210 -0.010 0.000 0.496 6 Q N 4.943 124.737 119.800 -0.009 0.000 2.194 6 Q HA 0.139 nan 4.340 nan 0.000 0.245 6 Q C -0.810 175.182 176.000 -0.013 0.000 0.993 6 Q CA -1.221 54.575 55.803 -0.010 0.000 0.930 6 Q CB 1.287 30.023 28.738 -0.004 0.000 1.238 6 Q HN 0.213 8.480 8.270 -0.005 0.000 0.486 7 A N -0.146 122.662 122.820 -0.019 0.000 2.328 7 A HA 0.147 nan 4.320 nan 0.000 0.284 7 A C 0.295 177.876 177.584 -0.005 0.000 1.160 7 A CA -0.494 51.529 52.037 -0.024 0.000 0.818 7 A CB 0.642 19.612 19.000 -0.049 0.000 1.087 7 A HN 0.118 8.255 8.150 -0.021 0.000 0.504 8 I N 2.601 123.174 120.570 0.005 0.000 3.045 8 I HA -0.284 nan 4.170 nan 0.000 0.306 8 I C 0.056 176.196 176.117 0.039 0.000 1.232 8 I CA -0.333 60.986 61.300 0.031 0.000 1.415 8 I CB 0.463 38.488 38.000 0.041 0.000 1.364 8 I HN 0.374 8.582 8.210 -0.004 0.000 0.538 9 R N 8.388 128.917 120.500 0.048 0.000 2.587 9 R HA -0.320 nan 4.340 nan 0.000 0.268 9 R C 0.202 176.545 176.300 0.071 0.000 0.978 9 R CA 1.845 57.976 56.100 0.053 0.000 1.097 9 R CB 0.100 30.432 30.300 0.052 0.000 0.917 9 R HN 0.227 8.527 8.270 0.049 0.000 0.414 10 G N 0.806 109.666 108.800 0.099 0.000 2.168 10 G HA2 -0.375 nan 3.960 nan 0.000 0.263 10 G HA3 -0.375 nan 3.960 nan 0.000 0.263 10 G C -0.962 174.031 174.900 0.156 0.000 0.977 10 G CA 0.525 45.725 45.100 0.166 0.000 0.659 10 G HN 0.421 8.769 8.290 0.097 0.000 0.533 11 M N -0.008 119.628 119.600 0.061 0.000 1.996 11 M HA 0.186 nan 4.480 nan 0.000 0.268 11 M C -2.097 174.148 176.300 -0.093 0.000 0.888 11 M CA -0.563 54.736 55.300 -0.001 0.000 0.939 11 M CB 0.856 33.465 32.600 0.014 0.000 1.736 11 M HN -0.313 7.937 8.290 0.046 0.068 0.407 12 N N 2.212 120.782 118.700 -0.217 0.000 2.476 12 N HA 0.165 nan 4.740 nan 0.000 0.276 12 N C -1.485 173.673 175.510 -0.587 0.000 1.204 12 N CA -0.681 52.154 53.050 -0.358 0.000 0.974 12 N CB 0.918 39.163 38.487 -0.404 0.000 1.204 12 N HN -0.062 8.176 8.380 -0.238 0.000 0.543 13 D N -0.906 119.160 120.400 -0.557 0.000 2.432 13 D HA 0.072 nan 4.640 nan 0.000 0.258 13 D C -1.129 174.628 176.300 -0.906 0.000 1.146 13 D CA -0.049 53.603 54.000 -0.580 0.000 1.015 13 D CB 0.911 41.544 40.800 -0.278 0.000 1.107 13 D HN 0.002 8.128 8.370 -0.406 0.000 0.529 14 Y N -0.484 119.675 120.300 -0.235 0.000 2.402 14 Y HA 0.167 nan 4.550 nan 0.000 0.325 14 Y C -1.057 174.736 175.900 -0.179 0.000 1.009 14 Y CA -0.681 57.243 58.100 -0.294 0.000 1.278 14 Y CB 1.281 39.407 38.460 -0.557 0.000 1.105 14 Y HN 0.006 8.135 8.280 -0.252 0.000 0.476 15 L N 3.373 124.593 121.223 -0.005 0.000 2.464 15 L HA 0.241 nan 4.340 nan 0.000 0.264 15 L C 0.185 177.074 176.870 0.032 0.000 1.199 15 L CA -2.760 52.083 54.840 0.006 0.000 0.818 15 L CB -1.663 40.400 42.059 0.005 0.000 1.102 15 L HN 0.301 8.525 8.230 -0.010 0.000 0.473 16 P HA -0.362 nan 4.420 nan 0.000 0.222 16 P C 1.588 178.927 177.300 0.065 0.000 1.147 16 P CA 3.143 66.278 63.100 0.057 0.000 0.958 16 P CB -0.099 31.654 31.700 0.088 0.000 0.788 17 G N -4.552 104.292 108.800 0.073 0.000 2.529 17 G HA2 -0.274 nan 3.960 nan 0.000 0.219 17 G HA3 -0.274 nan 3.960 nan 0.000 0.219 17 G C 1.794 176.734 174.900 0.066 0.000 1.177 17 G CA 2.054 47.196 45.100 0.070 0.000 0.773 17 G HN 0.130 8.465 8.290 0.074 0.000 0.573 18 E N 0.727 120.972 120.200 0.075 0.000 2.150 18 E HA -0.200 nan 4.350 nan 0.000 0.193 18 E C 2.275 178.959 176.600 0.141 0.000 0.985 18 E CA 2.316 58.785 56.400 0.116 0.000 0.814 18 E CB -0.139 29.646 29.700 0.141 0.000 0.752 18 E HN -0.428 7.973 8.360 0.067 0.000 0.466 19 T N -2.267 112.323 114.554 0.061 0.000 2.708 19 T HA -0.303 nan 4.350 nan 0.000 0.266 19 T C 1.558 176.322 174.700 0.107 0.000 1.037 19 T CA 3.853 65.979 62.100 0.043 0.000 1.146 19 T CB -0.807 68.065 68.868 0.007 0.000 0.865 19 T HN -0.438 7.716 8.240 0.049 0.116 0.435 20 A N 2.076 124.940 122.820 0.074 0.000 1.896 20 A HA -0.393 nan 4.320 nan 0.000 0.220 20 A C 1.800 179.411 177.584 0.045 0.000 1.206 20 A CA 3.324 55.396 52.037 0.059 0.000 0.647 20 A CB -0.942 18.088 19.000 0.051 0.000 0.828 20 A HN -0.463 7.725 8.150 0.064 0.000 0.455 21 I N -2.634 117.943 120.570 0.012 0.000 2.226 21 I HA -0.404 nan 4.170 nan 0.000 0.245 21 I C 1.715 177.771 176.117 -0.103 0.000 1.100 21 I CA 3.295 64.519 61.300 -0.126 0.000 1.374 21 I CB -0.436 37.441 38.000 -0.206 0.000 1.057 21 I HN -0.716 7.516 8.210 0.036 0.000 0.413 22 W N -0.872 120.319 121.300 -0.180 0.000 2.335 22 W HA -0.465 nan 4.660 nan 0.000 0.311 22 W C 2.247 178.690 176.519 -0.126 0.000 1.213 22 W CA 5.227 62.457 57.345 -0.192 0.000 1.274 22 W CB -0.607 28.701 29.460 -0.253 0.000 1.148 22 W HN -0.529 7.741 8.180 0.291 0.085 0.498 23 Q N -2.186 117.701 119.800 0.145 0.000 2.135 23 Q HA -0.490 nan 4.340 nan 0.000 0.204 23 Q C 2.461 178.486 176.000 0.042 0.000 0.981 23 Q CA 3.571 59.424 55.803 0.084 0.000 0.856 23 Q CB -0.477 28.305 28.738 0.074 0.000 0.902 23 Q HN 0.505 8.875 8.270 0.167 0.000 0.425 24 R N 0.221 120.749 120.500 0.047 0.000 2.073 24 R HA -0.279 nan 4.340 nan 0.000 0.234 24 R C 2.442 178.780 176.300 0.064 0.000 1.134 24 R CA 3.385 59.539 56.100 0.090 0.000 0.952 24 R CB -0.294 30.127 30.300 0.201 0.000 0.850 24 R HN -0.420 7.785 8.270 0.043 0.091 0.433 25 I N -1.396 119.172 120.570 -0.003 0.000 2.315 25 I HA -0.540 nan 4.170 nan 0.000 0.248 25 I C 1.855 177.876 176.117 -0.160 0.000 1.117 25 I CA 3.722 64.976 61.300 -0.076 0.000 1.404 25 I CB -0.487 37.386 38.000 -0.211 0.000 1.071 25 I HN -0.233 7.943 8.210 -0.056 0.000 0.419 26 E N -0.041 120.074 120.200 -0.140 0.000 2.012 26 E HA -0.410 nan 4.350 nan 0.000 0.197 26 E C 2.719 179.227 176.600 -0.153 0.000 1.007 26 E CA 3.466 59.779 56.400 -0.145 0.000 0.816 26 E CB -0.385 29.296 29.700 -0.032 0.000 0.762 26 E HN 0.275 8.574 8.360 -0.103 0.000 0.451 27 G N -1.520 107.234 108.800 -0.077 0.000 2.547 27 G HA2 -0.464 nan 3.960 nan 0.000 0.221 27 G HA3 -0.464 nan 3.960 nan 0.000 0.221 27 G C 1.238 176.073 174.900 -0.108 0.000 1.140 27 G CA 2.526 47.584 45.100 -0.070 0.000 0.760 27 G HN 0.040 8.308 8.290 -0.037 0.000 0.583 28 T N 5.571 120.059 114.554 -0.111 0.000 2.652 28 T HA -0.373 nan 4.350 nan 0.000 0.267 28 T C 2.300 176.885 174.700 -0.192 0.000 1.039 28 T CA 5.208 67.235 62.100 -0.122 0.000 1.153 28 T CB -0.495 68.307 68.868 -0.110 0.000 0.863 28 T HN -0.542 7.638 8.240 -0.088 0.008 0.428 29 L N 0.031 121.044 121.223 -0.351 0.000 2.042 29 L HA -0.485 nan 4.340 nan 0.000 0.210 29 L C 1.629 178.256 176.870 -0.405 0.000 1.076 29 L CA 3.272 57.736 54.840 -0.626 0.000 0.749 29 L CB -0.611 40.869 42.059 -0.964 0.000 0.893 29 L HN -0.218 7.751 8.230 -0.328 0.065 0.432 30 K N -0.973 119.189 120.400 -0.396 0.000 1.978 30 K HA -0.484 nan 4.320 nan 0.000 0.214 30 K C 2.154 178.600 176.600 -0.258 0.000 1.049 30 K CA 3.739 59.746 56.287 -0.466 0.000 0.939 30 K CB -0.181 32.135 32.500 -0.308 0.000 0.721 30 K HN 0.249 8.224 8.250 -0.342 0.070 0.441 31 N N -1.093 117.528 118.700 -0.131 0.000 2.069 31 N HA -0.400 nan 4.740 nan 0.000 0.196 31 N C 2.189 177.689 175.510 -0.016 0.000 1.024 31 N CA 3.322 56.341 53.050 -0.051 0.000 0.869 31 N CB -0.159 38.304 38.487 -0.041 0.000 1.035 31 N HN -0.034 8.164 8.380 -0.133 0.102 0.434 32 V N -1.059 118.861 119.914 0.010 0.000 2.407 32 V HA -0.378 nan 4.120 nan 0.000 0.248 32 V C 2.084 178.222 176.094 0.074 0.000 1.055 32 V CA 3.601 65.962 62.300 0.101 0.000 1.049 32 V CB -0.859 31.111 31.823 0.245 0.000 0.662 32 V HN -0.245 7.927 8.190 -0.023 0.004 0.455 33 L N -2.145 119.061 121.223 -0.029 0.000 2.217 33 L HA -0.277 nan 4.340 nan 0.000 0.211 33 L C 1.805 178.671 176.870 -0.006 0.000 1.107 33 L CA 2.517 57.256 54.840 -0.169 0.000 0.783 33 L CB -0.589 41.238 42.059 -0.387 0.000 0.919 33 L HN -0.041 8.035 8.230 -0.065 0.115 0.442 34 G N -2.288 106.535 108.800 0.039 0.000 2.403 34 G HA2 -0.295 nan 3.960 nan 0.000 0.216 34 G HA3 -0.295 nan 3.960 nan 0.000 0.216 34 G C 1.765 176.724 174.900 0.098 0.000 1.154 34 G CA 1.801 46.971 45.100 0.116 0.000 0.784 34 G HN -0.132 8.028 8.290 -0.024 0.116 0.538 35 S N 2.405 118.145 115.700 0.067 0.000 2.440 35 S HA -0.298 nan 4.470 nan 0.000 0.238 35 S C 0.960 175.521 174.600 -0.066 0.000 1.010 35 S CA 2.481 60.676 58.200 -0.008 0.000 0.972 35 S CB 0.030 63.198 63.200 -0.054 0.000 0.774 35 S HN -0.109 8.157 8.310 0.066 0.083 0.501 36 Y N -1.143 119.085 120.300 -0.120 0.000 2.500 36 Y HA -0.073 nan 4.550 nan 0.000 0.270 36 Y C 0.264 176.211 175.900 0.079 0.000 1.134 36 Y CA 0.632 58.652 58.100 -0.135 0.000 1.293 36 Y CB 0.731 38.913 38.460 -0.463 0.000 1.063 36 Y HN -0.946 7.323 8.280 0.237 0.153 0.534 37 G N -2.165 106.815 108.800 0.300 0.000 2.218 37 G HA2 -0.311 nan 3.960 nan 0.000 0.216 37 G HA3 -0.311 nan 3.960 nan 0.000 0.216 37 G C -0.072 175.109 174.900 0.467 0.000 0.994 37 G CA -0.389 44.908 45.100 0.329 0.000 0.637 37 G HN -0.624 7.694 8.290 0.233 0.112 0.505 38 Y N 1.523 121.951 120.300 0.214 0.000 2.620 38 Y HA -0.168 nan 4.550 nan 0.000 0.330 38 Y C -0.083 176.027 175.900 0.350 0.000 1.186 38 Y CA -1.085 57.180 58.100 0.274 0.000 1.467 38 Y CB -0.770 37.912 38.460 0.371 0.000 1.262 38 Y HN -0.771 7.877 8.280 0.716 0.062 0.550 39 S N 3.788 119.662 115.700 0.290 0.000 2.651 39 S HA 0.236 nan 4.470 nan 0.000 0.291 39 S C -1.439 173.012 174.600 -0.248 0.000 1.141 39 S CA -1.128 57.148 58.200 0.127 0.000 1.027 39 S CB 1.941 65.161 63.200 0.033 0.000 1.043 39 S HN 0.106 8.504 8.310 0.147 0.000 0.530 40 E N 1.766 121.723 120.200 -0.404 0.000 2.313 40 E HA 0.450 nan 4.350 nan 0.000 0.272 40 E C -1.113 175.181 176.600 -0.509 0.000 1.038 40 E CA -0.723 55.086 56.400 -0.985 0.000 0.863 40 E CB 1.453 30.617 29.700 -0.893 0.000 1.060 40 E HN 0.135 8.419 8.360 -0.126 0.000 0.402 41 I N 3.109 123.396 120.570 -0.472 0.000 2.582 41 I HA 0.169 nan 4.170 nan 0.000 0.292 41 I C -1.865 174.162 176.117 -0.151 0.000 1.066 41 I CA -1.495 59.671 61.300 -0.223 0.000 1.053 41 I CB 2.297 40.220 38.000 -0.128 0.000 1.241 41 I HN 0.401 8.229 8.210 -0.638 0.000 0.421 42 R N 6.833 127.269 120.500 -0.106 0.000 2.310 42 R HA 0.282 nan 4.340 nan 0.000 0.324 42 R C -0.663 175.614 176.300 -0.038 0.000 0.955 42 R CA -1.184 54.885 56.100 -0.052 0.000 0.830 42 R CB 0.117 30.392 30.300 -0.043 0.000 1.154 42 R HN 0.150 8.350 8.270 -0.117 0.000 0.458 43 L N 4.811 126.019 121.223 -0.024 0.000 2.319 43 L HA 0.631 nan 4.340 nan 0.000 0.267 43 L C -1.566 175.305 176.870 0.002 0.000 1.011 43 L CA -3.160 51.664 54.840 -0.025 0.000 0.818 43 L CB 0.621 42.637 42.059 -0.072 0.000 1.316 43 L HN 0.278 8.500 8.230 -0.012 0.000 0.432 44 P HA 0.042 nan 4.420 nan 0.000 0.269 44 P C 0.123 177.459 177.300 0.061 0.000 1.209 44 P CA -0.112 63.012 63.100 0.039 0.000 0.776 44 P CB 0.570 32.294 31.700 0.041 0.000 0.876 45 I N 1.331 121.943 120.570 0.070 0.000 2.439 45 I HA -0.133 nan 4.170 nan 0.000 0.251 45 I C -0.263 175.913 176.117 0.097 0.000 1.139 45 I CA 1.905 63.263 61.300 0.097 0.000 1.438 45 I CB -0.445 37.606 38.000 0.086 0.000 1.085 45 I HN -0.052 8.192 8.210 0.057 0.000 0.427 46 V N -5.114 114.852 119.914 0.086 0.000 2.769 46 V HA 0.519 nan 4.120 nan 0.000 0.312 46 V C -0.916 175.261 176.094 0.139 0.000 1.058 46 V CA -1.925 60.437 62.300 0.103 0.000 0.952 46 V CB 2.446 34.319 31.823 0.083 0.000 1.019 46 V HN -0.662 7.571 8.190 0.072 0.000 0.445 47 E N 1.074 121.411 120.200 0.228 0.000 2.433 47 E HA 0.371 nan 4.350 nan 0.000 0.273 47 E C -1.528 175.163 176.600 0.151 0.000 0.950 47 E CA -2.774 53.735 56.400 0.182 0.000 0.796 47 E CB 4.441 34.231 29.700 0.150 0.000 1.330 47 E HN 0.622 9.145 8.360 0.271 0.000 0.455 48 Q N -0.017 119.802 119.800 0.032 0.000 2.361 48 Q HA 0.002 nan 4.340 nan 0.000 0.276 48 Q C 1.718 177.766 176.000 0.079 0.000 1.022 48 Q CA 0.810 56.617 55.803 0.005 0.000 0.898 48 Q CB -0.074 28.641 28.738 -0.040 0.000 1.246 48 Q HN 0.413 8.672 8.270 -0.019 0.000 0.410 49 T N 5.337 119.935 114.554 0.072 0.000 2.833 49 T HA -0.089 nan 4.350 nan 0.000 0.269 49 T C -0.110 174.655 174.700 0.109 0.000 1.054 49 T CA 5.495 67.680 62.100 0.143 0.000 1.135 49 T CB -2.044 66.847 68.868 0.038 0.000 0.869 49 T HN 0.281 8.522 8.240 0.002 0.000 0.466 50 P HA -0.165 nan 4.420 nan 0.000 0.219 50 P C 0.898 178.171 177.300 -0.044 0.000 1.146 50 P CA 2.406 65.501 63.100 -0.009 0.000 0.808 50 P CB -0.738 30.943 31.700 -0.032 0.000 0.779 51 L N -1.876 119.275 121.223 -0.120 0.000 1.970 51 L HA -0.399 nan 4.340 nan 0.000 0.212 51 L C 1.783 178.469 176.870 -0.307 0.000 1.071 51 L CA 3.323 57.983 54.840 -0.299 0.000 0.751 51 L CB -0.134 41.582 42.059 -0.572 0.000 0.889 51 L HN -0.509 7.636 8.230 -0.096 0.027 0.432 52 F N -4.038 115.881 119.950 -0.051 0.000 2.269 52 F HA -0.451 nan 4.527 nan 0.000 0.301 52 F C 1.895 177.652 175.800 -0.073 0.000 1.082 52 F CA 3.543 61.506 58.000 -0.062 0.000 1.360 52 F CB -0.946 38.031 39.000 -0.039 0.000 1.041 52 F HN -0.390 7.781 8.300 -0.215 0.000 0.512 53 K N -0.709 119.748 120.400 0.095 0.000 1.980 53 K HA -0.327 nan 4.320 nan 0.000 0.208 53 K C 2.430 179.018 176.600 -0.019 0.000 1.043 53 K CA 3.049 59.355 56.287 0.031 0.000 0.938 53 K CB -0.315 32.198 32.500 0.022 0.000 0.724 53 K HN -0.669 7.524 8.250 0.104 0.120 0.438 54 R N -0.764 119.712 120.500 -0.039 0.000 2.083 54 R HA -0.329 nan 4.340 nan 0.000 0.237 54 R C 1.801 178.059 176.300 -0.070 0.000 1.137 54 R CA 2.698 58.767 56.100 -0.052 0.000 0.951 54 R CB 0.029 30.295 30.300 -0.057 0.000 0.851 54 R HN 0.163 8.300 8.270 -0.038 0.110 0.434 55 A N -1.460 121.298 122.820 -0.103 0.000 1.823 55 A HA -0.103 nan 4.320 nan 0.000 0.214 55 A C 1.026 178.472 177.584 -0.230 0.000 1.225 55 A CA 1.954 53.911 52.037 -0.133 0.000 0.604 55 A CB -0.133 18.773 19.000 -0.158 0.000 0.878 55 A HN -0.007 7.966 8.150 -0.116 0.107 0.450 56 I N -3.521 116.905 120.570 -0.240 0.000 2.118 56 I HA -0.339 nan 4.170 nan 0.000 0.241 56 I C -0.261 175.709 176.117 -0.246 0.000 1.070 56 I CA 2.227 63.328 61.300 -0.332 0.000 1.327 56 I CB 0.536 38.455 38.000 -0.135 0.000 1.034 56 I HN -0.767 7.357 8.210 -0.143 0.000 0.405 57 G N -6.014 102.714 108.800 -0.121 0.000 2.462 57 G HA2 -0.160 nan 3.960 nan 0.000 0.424 57 G HA3 -0.160 nan 3.960 nan 0.000 0.424 57 G C -0.046 174.831 174.900 -0.038 0.000 1.573 57 G CA -0.716 44.338 45.100 -0.078 0.000 0.913 57 G HN -0.772 7.468 8.290 -0.083 0.000 0.672 58 E N 2.674 122.860 120.200 -0.024 0.000 2.150 58 E HA -0.161 nan 4.350 nan 0.000 0.193 58 E C 1.093 177.688 176.600 -0.008 0.000 0.985 58 E CA 2.340 58.733 56.400 -0.012 0.000 0.814 58 E CB -0.051 29.643 29.700 -0.010 0.000 0.752 58 E HN 0.440 8.784 8.360 -0.026 0.000 0.466 59 V N -6.705 113.204 119.914 -0.008 0.000 3.041 59 V HA 0.099 nan 4.120 nan 0.000 0.260 59 V C 0.170 176.264 176.094 0.001 0.000 1.105 59 V CA 0.216 62.514 62.300 -0.002 0.000 1.125 59 V CB -0.186 31.637 31.823 0.002 0.000 0.730 59 V HN -0.022 8.141 8.190 -0.012 0.019 0.479 60 T N -1.756 112.795 114.554 -0.005 0.000 2.867 60 T HA -0.045 nan 4.350 nan 0.000 0.297 60 T C 1.236 175.944 174.700 0.013 0.000 0.989 60 T CA -0.015 62.086 62.100 0.001 0.000 1.159 60 T CB 0.554 69.412 68.868 -0.016 0.000 0.928 60 T HN -0.722 7.345 8.240 -0.014 0.165 0.538 61 D N 6.091 126.505 120.400 0.023 0.000 2.271 61 D HA -0.250 nan 4.640 nan 0.000 0.207 61 D C 1.440 177.762 176.300 0.036 0.000 0.983 61 D CA 3.412 57.429 54.000 0.029 0.000 0.878 61 D CB -0.141 40.681 40.800 0.036 0.000 0.920 61 D HN 0.486 8.871 8.370 0.026 0.000 0.479 62 V N -0.891 119.047 119.914 0.040 0.000 2.270 62 V HA -0.282 nan 4.120 nan 0.000 0.245 62 V C 2.209 178.321 176.094 0.031 0.000 1.043 62 V CA 3.838 66.168 62.300 0.051 0.000 1.014 62 V CB -0.454 31.404 31.823 0.057 0.000 0.645 62 V HN -0.113 8.047 8.190 0.034 0.050 0.447 63 V N -0.834 119.091 119.914 0.018 0.000 2.332 63 V HA -0.449 nan 4.120 nan 0.000 0.248 63 V C 2.500 178.595 176.094 0.001 0.000 1.055 63 V CA 3.484 65.791 62.300 0.011 0.000 1.038 63 V CB -0.824 31.006 31.823 0.011 0.000 0.651 63 V HN -0.355 7.843 8.190 0.014 0.000 0.450 64 E N -0.140 120.061 120.200 0.003 0.000 2.002 64 E HA -0.207 nan 4.350 nan 0.000 0.205 64 E C 2.062 178.654 176.600 -0.014 0.000 1.020 64 E CA 2.500 58.897 56.400 -0.004 0.000 0.856 64 E CB 0.068 29.769 29.700 0.002 0.000 0.788 64 E HN -0.316 8.049 8.360 0.008 0.000 0.477 65 K N -3.824 116.575 120.400 -0.002 0.000 2.373 65 K HA 0.192 nan 4.320 nan 0.000 0.202 65 K C 0.577 177.180 176.600 0.005 0.000 1.025 65 K CA -0.088 56.191 56.287 -0.014 0.000 1.115 65 K CB 0.455 32.954 32.500 -0.001 0.000 0.858 65 K HN -0.569 7.689 8.250 0.013 0.000 0.525 66 E N -1.335 118.884 120.200 0.032 0.000 2.465 66 E HA 0.105 nan 4.350 nan 0.000 0.209 66 E C -0.328 176.323 176.600 0.085 0.000 0.951 66 E CA -0.042 56.413 56.400 0.091 0.000 0.997 66 E CB 1.653 31.429 29.700 0.126 0.000 1.025 66 E HN -0.282 8.092 8.360 0.022 0.000 0.500 67 M N -0.638 118.970 119.600 0.013 0.000 2.226 67 M HA -0.014 nan 4.480 nan 0.000 0.324 67 M C 0.285 176.579 176.300 -0.011 0.000 1.112 67 M CA 0.578 55.877 55.300 -0.001 0.000 1.176 67 M CB 0.513 33.067 32.600 -0.077 0.000 1.430 67 M HN -0.749 7.536 8.290 -0.008 0.000 0.462 68 Y N 2.889 123.159 120.300 -0.049 0.000 2.931 68 Y HA 0.205 nan 4.550 nan 0.000 0.330 68 Y C -1.678 174.219 175.900 -0.006 0.000 1.115 68 Y CA -0.828 57.264 58.100 -0.012 0.000 1.283 68 Y CB -1.134 37.309 38.460 -0.028 0.000 1.215 68 Y HN 0.524 8.897 8.280 0.156 0.000 0.534 69 T N 5.723 120.306 114.554 0.049 0.000 2.907 69 T HA 0.610 nan 4.350 nan 0.000 0.284 69 T C -1.425 173.348 174.700 0.123 0.000 1.004 69 T CA -0.161 61.952 62.100 0.022 0.000 1.063 69 T CB 1.096 69.938 68.868 -0.043 0.000 0.992 69 T HN -0.052 8.172 8.240 -0.027 0.000 0.483 70 F N 0.587 120.520 119.950 -0.029 0.000 2.711 70 F HA 0.498 nan 4.527 nan 0.000 0.313 70 F C -2.814 172.974 175.800 -0.020 0.000 1.141 70 F CA -2.364 55.619 58.000 -0.028 0.000 0.941 70 F CB 2.396 41.381 39.000 -0.025 0.000 1.349 70 F HN 0.852 8.853 8.300 -0.327 0.104 0.464 71 E N 1.147 121.366 120.200 0.031 0.000 2.109 71 E HA 0.176 nan 4.350 nan 0.000 0.278 71 E C -1.366 175.245 176.600 0.018 0.000 0.954 71 E CA -1.444 54.913 56.400 -0.072 0.000 0.779 71 E CB 1.409 31.108 29.700 -0.001 0.000 1.093 71 E HN 0.084 8.593 8.360 0.247 0.000 0.401 72 D N 7.598 127.930 120.400 -0.114 0.000 2.378 72 D HA -0.039 nan 4.640 nan 0.000 0.238 72 D C 0.876 177.209 176.300 0.055 0.000 1.180 72 D CA -0.027 53.992 54.000 0.032 0.000 0.895 72 D CB 1.075 41.854 40.800 -0.035 0.000 1.192 72 D HN 0.462 8.691 8.370 -0.236 0.000 0.438 73 R N 2.838 123.384 120.500 0.077 0.000 2.276 73 R HA -0.343 nan 4.340 nan 0.000 0.243 73 R C 0.647 176.960 176.300 0.022 0.000 1.161 73 R CA 2.731 58.859 56.100 0.047 0.000 1.007 73 R CB -0.308 30.016 30.300 0.040 0.000 0.867 73 R HN 0.414 8.749 8.270 0.108 0.000 0.472 74 N N -3.908 114.799 118.700 0.011 0.000 2.276 74 N HA 0.004 nan 4.740 nan 0.000 0.212 74 N C 0.625 176.126 175.510 -0.014 0.000 1.127 74 N CA -0.814 52.234 53.050 -0.003 0.000 0.834 74 N CB -0.695 37.788 38.487 -0.006 0.000 1.014 74 N HN -0.466 7.841 8.380 0.013 0.081 0.491 75 G N -0.315 108.476 108.800 -0.014 0.000 2.212 75 G HA2 -0.362 nan 3.960 nan 0.000 0.266 75 G HA3 -0.362 nan 3.960 nan 0.000 0.266 75 G C -1.094 173.780 174.900 -0.044 0.000 0.978 75 G CA 0.593 45.679 45.100 -0.023 0.000 0.632 75 G HN -0.005 8.128 8.290 -0.004 0.154 0.537 76 D N -0.347 120.018 120.400 -0.059 0.000 2.350 76 D HA 0.006 nan 4.640 nan 0.000 0.249 76 D C -0.687 175.529 176.300 -0.139 0.000 1.119 76 D CA 0.213 54.163 54.000 -0.083 0.000 0.886 76 D CB 0.652 41.405 40.800 -0.079 0.000 1.195 76 D HN -0.503 7.746 8.370 -0.049 0.092 0.437 77 S N 2.038 117.663 115.700 -0.126 0.000 2.481 77 S HA 0.560 nan 4.470 nan 0.000 0.276 77 S C -0.908 173.563 174.600 -0.215 0.000 1.247 77 S CA 0.578 58.682 58.200 -0.160 0.000 1.053 77 S CB 0.265 63.411 63.200 -0.090 0.000 0.925 77 S HN 0.232 8.487 8.310 -0.090 0.000 0.491 78 L N 8.007 128.988 121.223 -0.404 0.000 2.342 78 L HA 0.697 nan 4.340 nan 0.000 0.271 78 L C -1.733 174.941 176.870 -0.327 0.000 1.008 78 L CA -0.850 53.719 54.840 -0.452 0.000 0.818 78 L CB 3.268 44.784 42.059 -0.905 0.000 1.296 78 L HN 0.862 8.789 8.230 -0.505 0.000 0.427 79 T N 3.733 118.220 114.554 -0.111 0.000 2.991 79 T HA 0.423 nan 4.350 nan 0.000 0.303 79 T C -1.329 173.311 174.700 -0.099 0.000 1.015 79 T CA -0.100 61.946 62.100 -0.090 0.000 1.007 79 T CB 2.343 71.111 68.868 -0.166 0.000 1.034 79 T HN 0.497 8.720 8.240 -0.028 0.000 0.446 80 L N 6.279 127.452 121.223 -0.083 0.000 2.456 80 L HA 0.149 nan 4.340 nan 0.000 0.277 80 L C -0.392 176.377 176.870 -0.168 0.000 1.124 80 L CA -0.492 54.269 54.840 -0.133 0.000 0.880 80 L CB -0.575 41.282 42.059 -0.337 0.000 1.192 80 L HN 0.606 8.835 8.230 -0.001 0.000 0.463 81 R N 5.377 125.813 120.500 -0.106 0.000 2.523 81 R HA -0.147 nan 4.340 nan 0.000 0.281 81 R C -1.226 175.023 176.300 -0.084 0.000 0.969 81 R CA 0.412 56.412 56.100 -0.166 0.000 1.093 81 R CB -0.763 29.660 30.300 0.206 0.000 0.917 81 R HN 0.171 8.460 8.270 0.031 0.000 0.408 82 P HA 0.152 nan 4.420 nan 0.000 0.257 82 P C -1.343 176.048 177.300 0.152 0.000 1.241 82 P CA 0.544 63.639 63.100 -0.009 0.000 0.816 82 P CB 0.482 32.178 31.700 -0.007 0.000 1.150 83 E N -4.456 115.859 120.200 0.192 0.000 2.415 83 E HA 0.136 nan 4.350 nan 0.000 0.271 83 E C -1.543 175.166 176.600 0.181 0.000 1.094 83 E CA -0.891 55.664 56.400 0.259 0.000 0.881 83 E CB 1.983 31.848 29.700 0.275 0.000 1.581 83 E HN -0.582 7.826 8.360 0.185 0.063 0.460 84 G N -3.635 105.223 108.800 0.096 0.000 2.695 84 G HA2 0.394 nan 3.960 nan 0.000 0.205 84 G HA3 0.394 nan 3.960 nan 0.000 0.205 84 G C 0.165 174.935 174.900 -0.217 0.000 1.068 84 G CA 0.657 45.600 45.100 -0.262 0.000 0.842 84 G HN 0.570 8.989 8.290 0.215 0.000 0.628 85 T N 6.251 120.839 114.554 0.056 0.000 2.635 85 T HA -0.460 nan 4.350 nan 0.000 0.267 85 T C 1.670 176.384 174.700 0.024 0.000 1.040 85 T CA 4.852 67.010 62.100 0.097 0.000 1.156 85 T CB -0.778 68.129 68.868 0.065 0.000 0.863 85 T HN -0.005 8.338 8.240 0.171 0.000 0.430 86 A N 0.811 123.629 122.820 -0.002 0.000 1.873 86 A HA -0.349 nan 4.320 nan 0.000 0.218 86 A C 1.791 179.283 177.584 -0.153 0.000 1.193 86 A CA 3.353 55.320 52.037 -0.118 0.000 0.629 86 A CB -0.990 17.853 19.000 -0.261 0.000 0.826 86 A HN 0.387 8.949 8.150 0.055 -0.379 0.447 87 G N -3.515 105.193 108.800 -0.153 0.000 2.448 87 G HA2 -0.382 nan 3.960 nan 0.000 0.219 87 G HA3 -0.382 nan 3.960 nan 0.000 0.219 87 G C 0.737 175.595 174.900 -0.069 0.000 1.127 87 G CA 1.718 46.743 45.100 -0.125 0.000 0.766 87 G HN 0.022 8.243 8.290 -0.116 0.000 0.552 88 C N 2.791 122.062 119.300 -0.049 0.000 2.548 88 C HA -0.239 nan 4.460 nan 0.000 0.284 88 C C 2.002 177.073 174.990 0.136 0.000 1.252 88 C CA 3.554 62.611 59.018 0.065 0.000 1.725 88 C CB -1.161 26.682 27.740 0.173 0.000 2.098 88 C HN 0.098 8.054 8.230 -0.080 0.226 0.471 89 V N 1.672 121.667 119.914 0.134 0.000 2.278 89 V HA -0.590 nan 4.120 nan 0.000 0.251 89 V C 1.998 178.075 176.094 -0.027 0.000 1.062 89 V CA 4.425 66.728 62.300 0.006 0.000 1.038 89 V CB -1.384 30.393 31.823 -0.077 0.000 0.646 89 V HN 0.488 8.761 8.190 0.139 0.000 0.447 90 R N -0.311 120.165 120.500 -0.040 0.000 2.122 90 R HA -0.484 nan 4.340 nan 0.000 0.236 90 R C 1.754 178.045 176.300 -0.014 0.000 1.129 90 R CA 3.702 59.770 56.100 -0.054 0.000 0.925 90 R CB -0.275 29.971 30.300 -0.091 0.000 0.850 90 R HN 0.240 8.473 8.270 -0.049 0.008 0.431 91 A N -3.279 119.567 122.820 0.043 0.000 2.070 91 A HA -0.157 nan 4.320 nan 0.000 0.220 91 A C 2.249 179.953 177.584 0.199 0.000 1.159 91 A CA 2.531 54.677 52.037 0.182 0.000 0.656 91 A CB -0.863 18.239 19.000 0.171 0.000 0.800 91 A HN -0.295 7.871 8.150 0.027 0.000 0.453 92 G N -0.319 108.530 108.800 0.082 0.000 2.453 92 G HA2 -0.349 nan 3.960 nan 0.000 0.215 92 G HA3 -0.349 nan 3.960 nan 0.000 0.215 92 G C 1.045 175.882 174.900 -0.105 0.000 1.201 92 G CA 1.939 47.062 45.100 0.037 0.000 0.784 92 G HN 0.064 8.251 8.290 0.072 0.146 0.545 93 I N 1.670 122.158 120.570 -0.137 0.000 2.202 93 I HA -0.490 nan 4.170 nan 0.000 0.242 93 I C 2.339 178.336 176.117 -0.199 0.000 1.091 93 I CA 4.006 65.170 61.300 -0.226 0.000 1.368 93 I CB 0.106 38.079 38.000 -0.044 0.000 1.058 93 I HN 0.420 8.479 8.210 -0.081 0.103 0.410 94 E N 0.516 120.641 120.200 -0.126 0.000 2.130 94 E HA -0.352 nan 4.350 nan 0.000 0.196 94 E C 1.492 177.900 176.600 -0.320 0.000 0.998 94 E CA 2.867 59.138 56.400 -0.215 0.000 0.806 94 E CB 0.016 29.560 29.700 -0.261 0.000 0.738 94 E HN 0.351 8.552 8.360 -0.081 0.111 0.459 95 H N -5.165 113.837 119.070 -0.114 0.000 2.586 95 H HA 0.154 nan 4.556 nan 0.000 0.273 95 H C -0.324 174.922 175.328 -0.136 0.000 0.997 95 H CA -0.337 55.653 56.048 -0.097 0.000 1.177 95 H CB 0.376 30.098 29.762 -0.067 0.000 1.471 95 H HN -0.250 7.956 8.280 0.062 0.111 0.538 96 G N 0.242 108.935 108.800 -0.177 0.000 2.353 96 G HA2 -0.365 nan 3.960 nan 0.000 0.294 96 G HA3 -0.365 nan 3.960 nan 0.000 0.294 96 G C -0.558 174.221 174.900 -0.202 0.000 1.077 96 G CA 0.704 45.611 45.100 -0.323 0.000 1.098 96 G HN -0.334 7.631 8.290 -0.243 0.179 0.511 97 L N -2.994 118.105 121.223 -0.206 0.000 2.701 97 L HA 0.138 nan 4.340 nan 0.000 0.238 97 L C 0.446 177.290 176.870 -0.044 0.000 1.106 97 L CA 0.200 54.997 54.840 -0.071 0.000 0.898 97 L CB 0.898 42.950 42.059 -0.011 0.000 1.188 97 L HN 0.229 8.294 8.230 -0.275 0.000 0.508 98 L N -3.365 117.761 121.223 -0.162 0.000 2.515 98 L HA 0.031 nan 4.340 nan 0.000 0.223 98 L C -0.369 176.595 176.870 0.156 0.000 1.079 98 L CA 0.491 55.329 54.840 -0.004 0.000 0.857 98 L CB 0.962 42.983 42.059 -0.063 0.000 1.050 98 L HN -0.830 7.154 8.230 -0.410 0.000 0.476 99 Y N -1.293 119.023 120.300 0.027 0.000 2.730 99 Y HA -0.214 nan 4.550 nan 0.000 0.354 99 Y C 0.008 175.923 175.900 0.024 0.000 1.139 99 Y CA -0.459 57.652 58.100 0.017 0.000 1.516 99 Y CB -2.080 36.387 38.460 0.011 0.000 1.204 99 Y HN -0.404 7.731 8.280 -0.242 0.000 0.520 100 N N 2.565 121.375 118.700 0.184 0.000 2.725 100 N HA -0.254 nan 4.740 nan 0.000 0.251 100 N C -1.586 173.982 175.510 0.096 0.000 1.031 100 N CA 1.354 54.470 53.050 0.109 0.000 0.720 100 N CB -0.587 37.949 38.487 0.082 0.000 0.930 100 N HN 0.318 8.812 8.380 0.189 0.000 0.543 101 Q N -4.549 115.313 119.800 0.103 0.000 2.456 101 Q HA 0.244 nan 4.340 nan 0.000 0.284 101 Q C -2.536 173.516 176.000 0.088 0.000 1.061 101 Q CA -1.963 53.890 55.803 0.082 0.000 0.799 101 Q CB 3.116 31.897 28.738 0.071 0.000 1.445 101 Q HN -0.888 7.450 8.270 0.123 0.006 0.411 102 E N 0.467 120.706 120.200 0.065 0.000 2.191 102 E HA 0.187 nan 4.350 nan 0.000 0.278 102 E C -1.313 175.307 176.600 0.034 0.000 0.972 102 E CA -0.770 55.662 56.400 0.054 0.000 0.804 102 E CB 0.897 30.619 29.700 0.037 0.000 1.110 102 E HN 0.098 8.490 8.360 0.054 0.000 0.394 103 Q N 5.953 125.761 119.800 0.013 0.000 2.271 103 Q HA 0.322 nan 4.340 nan 0.000 0.268 103 Q C -2.657 173.224 176.000 -0.199 0.000 1.021 103 Q CA -0.432 55.341 55.803 -0.050 0.000 0.802 103 Q CB 3.848 32.602 28.738 0.026 0.000 1.282 103 Q HN 0.339 8.626 8.270 0.029 0.000 0.431 104 R N 5.208 125.549 120.500 -0.265 0.000 2.435 104 R HA 0.819 nan 4.340 nan 0.000 0.308 104 R C -1.171 174.871 176.300 -0.430 0.000 0.975 104 R CA -0.347 55.428 56.100 -0.543 0.000 0.867 104 R CB 1.338 31.201 30.300 -0.729 0.000 1.171 104 R HN 0.412 8.575 8.270 -0.178 0.000 0.470 105 L N 1.134 122.122 121.223 -0.391 0.000 2.502 105 L HA 0.845 nan 4.340 nan 0.000 0.253 105 L C -1.873 174.968 176.870 -0.048 0.000 1.070 105 L CA -1.152 53.574 54.840 -0.191 0.000 0.871 105 L CB 4.142 46.073 42.059 -0.214 0.000 1.487 105 L HN 0.284 8.229 8.230 -0.476 0.000 0.408 106 W N -4.036 117.233 121.300 -0.052 0.000 3.066 106 W HA 0.738 nan 4.660 nan 0.000 0.330 106 W C -3.179 173.291 176.519 -0.081 0.000 1.253 106 W CA -0.772 56.475 57.345 -0.164 0.000 1.187 106 W CB 2.744 32.199 29.460 -0.008 0.000 1.434 106 W HN 0.265 8.146 8.180 -0.499 0.000 0.572 107 Y N -6.190 114.168 120.300 0.097 0.000 2.571 107 Y HA 0.611 nan 4.550 nan 0.000 0.341 107 Y C -3.068 172.991 175.900 0.266 0.000 1.076 107 Y CA -1.789 56.300 58.100 -0.018 0.000 1.029 107 Y CB 2.493 40.938 38.460 -0.025 0.000 1.308 107 Y HN 0.615 8.546 8.280 -0.583 0.000 0.461 108 I N 0.618 121.445 120.570 0.429 0.000 2.619 108 I HA 0.676 nan 4.170 nan 0.000 0.292 108 I C -1.328 174.974 176.117 0.308 0.000 1.100 108 I CA -1.556 59.989 61.300 0.408 0.000 1.043 108 I CB 3.030 41.281 38.000 0.417 0.000 1.239 108 I HN 0.385 8.783 8.210 0.313 0.000 0.420 109 G N 5.810 114.769 108.800 0.265 0.000 2.317 109 G HA2 0.235 nan 3.960 nan 0.000 0.293 109 G HA3 0.235 nan 3.960 nan 0.000 0.293 109 G C -4.020 170.864 174.900 -0.027 0.000 1.287 109 G CA 0.291 45.463 45.100 0.119 0.000 0.850 109 G HN 0.065 8.542 8.290 0.312 0.000 0.515 110 P HA 0.787 nan 4.420 nan 0.000 0.287 110 P C -1.692 175.276 177.300 -0.553 0.000 1.270 110 P CA -0.872 61.894 63.100 -0.557 0.000 0.844 110 P CB 1.335 32.563 31.700 -0.786 0.000 1.068 111 M N -1.046 118.010 119.600 -0.906 0.000 2.591 111 M HA 0.759 nan 4.480 nan 0.000 0.306 111 M C -1.537 173.919 176.300 -1.407 0.000 1.190 111 M CA -1.738 53.037 55.300 -0.875 0.000 0.889 111 M CB 4.517 36.665 32.600 -0.754 0.000 1.728 111 M HN 0.779 8.478 8.290 -0.985 0.000 0.458 112 F N 0.399 120.016 119.950 -0.555 0.000 2.551 112 F HA 0.800 nan 4.527 nan 0.000 0.316 112 F C -0.778 174.917 175.800 -0.176 0.000 1.089 112 F CA -1.414 56.320 58.000 -0.443 0.000 0.915 112 F CB 2.954 41.672 39.000 -0.470 0.000 1.186 112 F HN 0.890 9.020 8.300 -0.091 0.117 0.456 113 R N -0.770 119.845 120.500 0.192 0.000 2.680 113 R HA 0.318 nan 4.340 nan 0.000 0.269 113 R C -1.813 174.785 176.300 0.497 0.000 1.026 113 R CA -1.298 55.013 56.100 0.352 0.000 0.889 113 R CB 5.002 35.486 30.300 0.306 0.000 1.241 113 R HN 0.351 8.692 8.270 0.119 0.000 0.463 114 H N 3.474 122.738 119.070 0.323 0.000 2.724 114 H HA 0.103 nan 4.556 nan 0.000 0.278 114 H C -1.424 173.988 175.328 0.139 0.000 1.159 114 H CA -0.394 55.784 56.048 0.217 0.000 1.254 114 H CB 0.451 30.156 29.762 -0.094 0.000 1.412 114 H HN 0.313 8.694 8.280 0.364 0.118 0.488 115 E N 5.207 125.394 120.200 -0.022 0.000 2.355 115 E HA 0.195 nan 4.350 nan 0.000 0.261 115 E C -1.918 174.656 176.600 -0.044 0.000 0.943 115 E CA -1.794 54.625 56.400 0.031 0.000 0.806 115 E CB 3.837 33.583 29.700 0.076 0.000 1.286 115 E HN -0.298 8.013 8.360 -0.080 0.000 0.424 116 R N 1.470 121.974 120.500 0.007 0.000 2.280 116 R HA 0.290 nan 4.340 nan 0.000 0.326 116 R C -1.593 174.701 176.300 -0.009 0.000 1.080 116 R CA -2.796 53.307 56.100 0.004 0.000 1.002 116 R CB -1.471 28.845 30.300 0.027 0.000 1.136 116 R HN 0.399 8.687 8.270 0.030 0.000 0.509 117 P HA -0.031 nan 4.420 nan 0.000 0.267 117 P C -0.902 176.374 177.300 -0.039 0.000 1.201 117 P CA 0.320 63.398 63.100 -0.037 0.000 0.775 117 P CB 0.446 32.145 31.700 -0.001 0.000 0.854 118 Q N 2.961 122.712 119.800 -0.082 0.000 1.695 118 Q HA 0.116 nan 4.340 nan 0.000 0.146 118 Q C -0.057 175.881 176.000 -0.105 0.000 0.477 118 Q CA 1.110 56.875 55.803 -0.063 0.000 0.781 118 Q CB 0.489 29.194 28.738 -0.055 0.000 0.877 118 Q HN 0.583 8.764 8.270 -0.148 0.000 0.227 119 K N -1.274 119.001 120.400 -0.208 0.000 2.824 119 K HA 0.077 nan 4.320 nan 0.000 0.178 119 K C 0.278 176.564 176.600 -0.524 0.000 1.749 119 K CA 0.569 56.674 56.287 -0.303 0.000 1.342 119 K CB 0.377 32.853 32.500 -0.041 0.000 1.902 119 K HN -0.091 8.041 8.250 -0.198 0.000 0.618 120 G N -0.949 107.680 108.800 -0.285 0.000 2.443 120 G HA2 -0.128 nan 3.960 nan 0.000 0.219 120 G HA3 -0.128 nan 3.960 nan 0.000 0.219 120 G C 0.354 175.076 174.900 -0.297 0.000 1.131 120 G CA 0.374 45.345 45.100 -0.215 0.000 0.775 120 G HN 0.008 8.185 8.290 -0.189 0.000 0.547 121 R N 0.839 121.129 120.500 -0.350 0.000 2.246 121 R HA 0.338 nan 4.340 nan 0.000 0.332 121 R C -1.551 174.578 176.300 -0.285 0.000 0.974 121 R CA -1.396 54.577 56.100 -0.212 0.000 0.837 121 R CB 0.468 30.719 30.300 -0.082 0.000 1.145 121 R HN -0.743 7.506 8.270 -0.343 -0.184 0.467 122 Y N 2.146 122.556 120.300 0.184 0.000 2.528 122 Y HA 0.289 nan 4.550 nan 0.000 0.335 122 Y C -0.081 175.939 175.900 0.200 0.000 1.093 122 Y CA -0.977 57.229 58.100 0.178 0.000 1.134 122 Y CB 2.473 41.057 38.460 0.206 0.000 1.253 122 Y HN 0.112 8.519 8.280 0.211 0.000 0.478 123 R N -1.474 119.189 120.500 0.271 0.000 2.115 123 R HA -0.188 nan 4.340 nan 0.000 0.226 123 R C -0.097 176.240 176.300 0.062 0.000 1.100 123 R CA 1.984 58.189 56.100 0.175 0.000 0.980 123 R CB 1.087 31.470 30.300 0.138 0.000 0.875 123 R HN 0.565 8.874 8.270 0.271 0.124 0.445 124 Q N -1.354 118.474 119.800 0.047 0.000 2.341 124 Q HA 0.464 nan 4.340 nan 0.000 0.268 124 Q C -1.733 174.281 176.000 0.023 0.000 1.013 124 Q CA -0.931 54.724 55.803 -0.246 0.000 0.798 124 Q CB 2.598 31.235 28.738 -0.168 0.000 1.253 124 Q HN -0.615 7.736 8.270 0.160 0.015 0.457 125 F N 3.550 123.458 119.950 -0.069 0.000 2.620 125 F HA 0.619 nan 4.527 nan 0.000 0.320 125 F C -2.372 173.561 175.800 0.221 0.000 1.069 125 F CA -3.107 55.034 58.000 0.234 0.000 0.953 125 F CB 2.550 41.706 39.000 0.260 0.000 1.322 125 F HN 0.644 8.473 8.300 -0.785 0.000 0.479 126 H N -0.817 118.550 119.070 0.494 0.000 2.492 126 H HA 0.674 nan 4.556 nan 0.000 0.345 126 H C -1.136 174.449 175.328 0.428 0.000 1.136 126 H CA -1.520 54.755 56.048 0.377 0.000 1.202 126 H CB 1.811 31.771 29.762 0.330 0.000 1.524 126 H HN -0.091 9.167 8.280 0.916 -0.429 0.506 127 Q N 0.466 120.568 119.800 0.502 0.000 2.372 127 Q HA 0.713 nan 4.340 nan 0.000 0.273 127 Q C -2.343 173.865 176.000 0.345 0.000 1.078 127 Q CA -1.526 54.527 55.803 0.418 0.000 0.806 127 Q CB 4.379 33.415 28.738 0.497 0.000 1.332 127 Q HN 0.302 8.826 8.270 0.424 0.000 0.435 128 L N 2.649 124.022 121.223 0.251 0.000 2.341 128 L HA 0.831 nan 4.340 nan 0.000 0.278 128 L C -2.364 174.589 176.870 0.137 0.000 1.005 128 L CA -1.701 53.245 54.840 0.177 0.000 0.818 128 L CB 3.207 45.292 42.059 0.043 0.000 1.259 128 L HN 0.176 8.550 8.230 0.241 0.000 0.418 129 G N 2.900 111.615 108.800 -0.140 0.000 2.684 129 G HA2 0.672 nan 3.960 nan 0.000 0.290 129 G HA3 0.672 nan 3.960 nan 0.000 0.290 129 G C -3.003 171.473 174.900 -0.707 0.000 1.425 129 G CA -0.431 44.409 45.100 -0.433 0.000 0.822 129 G HN 0.430 8.581 8.290 -0.233 0.000 0.482 130 C N -2.787 116.011 119.300 -0.836 0.000 3.173 130 C HA 0.994 nan 4.460 nan 0.000 0.310 130 C C -2.269 172.512 174.990 -0.349 0.000 1.306 130 C CA -2.534 56.223 59.018 -0.434 0.000 1.426 130 C CB 3.690 31.438 27.740 0.013 0.000 1.800 130 C HN 0.458 7.928 8.230 -1.267 0.000 0.470 131 E N -1.973 118.101 120.200 -0.209 0.000 2.335 131 E HA 0.652 nan 4.350 nan 0.000 0.280 131 E C -2.588 173.696 176.600 -0.526 0.000 0.918 131 E CA -1.056 55.206 56.400 -0.231 0.000 0.765 131 E CB 4.202 33.811 29.700 -0.153 0.000 1.218 131 E HN 0.443 8.570 8.360 -0.210 0.108 0.425 132 V N 1.658 121.286 119.914 -0.475 0.000 2.656 132 V HA 0.820 nan 4.120 nan 0.000 0.307 132 V C -2.508 173.398 176.094 -0.315 0.000 1.051 132 V CA -1.978 60.038 62.300 -0.473 0.000 0.893 132 V CB 2.828 34.487 31.823 -0.275 0.000 0.999 132 V HN 0.793 8.827 8.190 -0.260 0.000 0.426 133 F N 6.535 126.469 119.950 -0.026 0.000 2.495 133 F HA 0.844 nan 4.527 nan 0.000 0.327 133 F C -0.013 175.784 175.800 -0.004 0.000 1.103 133 F CA -3.985 54.010 58.000 -0.009 0.000 0.949 133 F CB 1.841 40.856 39.000 0.024 0.000 1.142 133 F HN 0.887 8.933 8.300 -0.246 0.107 0.457 134 G N 1.984 110.911 108.800 0.211 0.000 2.192 134 G HA2 -0.321 nan 3.960 nan 0.000 0.193 134 G HA3 -0.321 nan 3.960 nan 0.000 0.193 134 G C -1.687 173.265 174.900 0.087 0.000 0.999 134 G CA 0.016 45.191 45.100 0.125 0.000 0.659 134 G HN 0.611 8.926 8.290 0.221 0.107 0.503 135 L N -0.097 121.175 121.223 0.083 0.000 2.376 135 L HA 0.228 nan 4.340 nan 0.000 0.275 135 L C -1.017 175.905 176.870 0.086 0.000 0.987 135 L CA -1.454 53.431 54.840 0.074 0.000 0.828 135 L CB 1.364 43.462 42.059 0.065 0.000 1.249 135 L HN -0.561 7.724 8.230 0.092 0.000 0.409 136 Q N 4.363 124.221 119.800 0.098 0.000 1.990 136 Q HA -0.147 nan 4.340 nan 0.000 0.195 136 Q C 0.213 176.383 176.000 0.284 0.000 0.977 136 Q CA 1.036 56.922 55.803 0.138 0.000 0.828 136 Q CB 0.150 28.956 28.738 0.113 0.000 0.896 136 Q HN 0.378 8.699 8.270 0.086 0.000 0.447 137 G N -2.331 106.607 108.800 0.230 0.000 2.669 137 G HA2 -0.203 nan 3.960 nan 0.000 0.227 137 G HA3 -0.203 nan 3.960 nan 0.000 0.227 137 G C -0.581 174.306 174.900 -0.022 0.000 1.210 137 G CA -0.976 44.186 45.100 0.103 0.000 0.855 137 G HN -0.118 8.265 8.290 0.156 0.000 0.551 138 P HA -0.099 nan 4.420 nan 0.000 0.226 138 P C 0.389 177.631 177.300 -0.096 0.000 1.153 138 P CA 1.654 64.604 63.100 -0.251 0.000 0.777 138 P CB -0.004 31.446 31.700 -0.416 0.000 0.794 139 D N -0.559 119.793 120.400 -0.079 0.000 2.127 139 D HA -0.359 nan 4.640 nan 0.000 0.190 139 D C 2.162 178.462 176.300 -0.000 0.000 1.000 139 D CA 3.111 57.090 54.000 -0.035 0.000 0.839 139 D CB -1.267 39.523 40.800 -0.017 0.000 0.955 139 D HN 0.417 8.670 8.370 -0.104 0.054 0.446 140 I N 0.231 120.820 120.570 0.032 0.000 2.264 140 I HA -0.386 nan 4.170 nan 0.000 0.248 140 I C 1.101 177.254 176.117 0.061 0.000 1.111 140 I CA 1.582 62.919 61.300 0.061 0.000 1.382 140 I CB -0.851 37.193 38.000 0.073 0.000 1.060 140 I HN -0.520 7.711 8.210 0.034 0.000 0.418 141 D N -0.250 120.182 120.400 0.054 0.000 2.084 141 D HA -0.336 nan 4.640 nan 0.000 0.194 141 D C 2.114 178.387 176.300 -0.044 0.000 0.990 141 D CA 4.116 58.144 54.000 0.047 0.000 0.826 141 D CB -0.748 40.092 40.800 0.067 0.000 0.971 141 D HN -0.781 7.506 8.370 0.053 0.115 0.453 142 A N -0.442 122.343 122.820 -0.059 0.000 1.859 142 A HA -0.383 nan 4.320 nan 0.000 0.217 142 A C 1.704 179.240 177.584 -0.079 0.000 1.198 142 A CA 3.272 55.258 52.037 -0.086 0.000 0.629 142 A CB -0.886 18.073 19.000 -0.067 0.000 0.830 142 A HN 0.277 8.400 8.150 -0.045 0.000 0.446 143 E N -0.748 119.437 120.200 -0.025 0.000 2.086 143 E HA -0.406 nan 4.350 nan 0.000 0.200 143 E C 2.314 178.847 176.600 -0.113 0.000 1.012 143 E CA 3.017 59.416 56.400 -0.002 0.000 0.812 143 E CB -0.104 29.652 29.700 0.094 0.000 0.743 143 E HN -0.282 8.076 8.360 -0.004 0.000 0.453 144 L N -1.795 119.385 121.223 -0.072 0.000 2.042 144 L HA -0.350 nan 4.340 nan 0.000 0.210 144 L C 2.502 179.164 176.870 -0.346 0.000 1.076 144 L CA 3.406 58.181 54.840 -0.108 0.000 0.749 144 L CB -0.205 41.927 42.059 0.121 0.000 0.893 144 L HN -0.293 7.932 8.230 -0.003 0.003 0.432 145 I N -1.546 118.826 120.570 -0.331 0.000 2.252 145 I HA -0.650 nan 4.170 nan 0.000 0.245 145 I C 1.760 177.725 176.117 -0.253 0.000 1.102 145 I CA 4.074 65.174 61.300 -0.333 0.000 1.385 145 I CB -0.393 37.401 38.000 -0.343 0.000 1.064 145 I HN -0.298 7.674 8.210 -0.255 0.085 0.414 146 M N -0.176 119.287 119.600 -0.229 0.000 2.144 146 M HA -0.448 nan 4.480 nan 0.000 0.260 146 M C 2.366 178.434 176.300 -0.387 0.000 1.067 146 M CA 4.487 59.667 55.300 -0.200 0.000 1.095 146 M CB -0.060 32.493 32.600 -0.078 0.000 1.365 146 M HN 0.151 8.324 8.290 -0.195 0.000 0.406 147 L N -2.692 118.129 121.223 -0.670 0.000 2.156 147 L HA -0.267 nan 4.340 nan 0.000 0.208 147 L C 0.878 176.877 176.870 -1.452 0.000 1.095 147 L CA 3.518 57.657 54.840 -1.168 0.000 0.770 147 L CB -0.121 41.042 42.059 -1.493 0.000 0.914 147 L HN 0.193 7.977 8.230 -0.589 0.093 0.439 148 T N 0.142 113.941 114.554 -1.260 0.000 2.737 148 T HA -0.299 nan 4.350 nan 0.000 0.265 148 T C 1.710 175.343 174.700 -1.778 0.000 1.038 148 T CA 3.707 64.890 62.100 -1.528 0.000 1.144 148 T CB -0.747 67.620 68.868 -0.835 0.000 0.866 148 T HN -0.758 6.809 8.240 -0.916 0.124 0.434 149 A N 2.179 124.364 122.820 -1.058 0.000 1.883 149 A HA -0.339 nan 4.320 nan 0.000 0.217 149 A C 1.512 178.706 177.584 -0.650 0.000 1.186 149 A CA 3.082 54.661 52.037 -0.763 0.000 0.624 149 A CB -0.937 17.948 19.000 -0.192 0.000 0.822 149 A HN 0.364 8.112 8.150 -0.671 0.000 0.444 150 R N -1.883 118.301 120.500 -0.526 0.000 2.117 150 R HA -0.320 nan 4.340 nan 0.000 0.243 150 R C 1.845 177.973 176.300 -0.287 0.000 1.143 150 R CA 3.858 59.770 56.100 -0.314 0.000 0.968 150 R CB -0.119 30.055 30.300 -0.210 0.000 0.863 150 R HN -0.255 7.684 8.270 -0.551 0.000 0.444 151 W N -2.363 118.493 121.300 -0.740 0.000 2.355 151 W HA -0.264 nan 4.660 nan 0.000 0.309 151 W C 2.253 178.523 176.519 -0.415 0.000 1.206 151 W CA 2.005 58.932 57.345 -0.697 0.000 1.284 151 W CB -0.820 28.009 29.460 -1.053 0.000 1.145 151 W HN -0.840 6.681 8.180 -0.911 0.113 0.502 152 W N -3.302 117.964 121.300 -0.057 0.000 2.358 152 W HA -0.519 nan 4.660 nan 0.000 0.303 152 W C 2.203 178.682 176.519 -0.067 0.000 1.208 152 W CA 1.108 58.386 57.345 -0.113 0.000 1.274 152 W CB -0.475 28.852 29.460 -0.222 0.000 1.138 152 W HN -0.700 6.609 8.180 -1.323 0.078 0.515 153 R N -0.722 119.847 120.500 0.116 0.000 2.082 153 R HA -0.441 nan 4.340 nan 0.000 0.234 153 R C 2.893 179.207 176.300 0.024 0.000 1.136 153 R CA 3.157 59.285 56.100 0.047 0.000 0.935 153 R CB -0.354 29.936 30.300 -0.015 0.000 0.842 153 R HN -0.152 8.115 8.270 0.007 0.008 0.430 154 A N -2.033 120.789 122.820 0.002 0.000 2.070 154 A HA -0.139 nan 4.320 nan 0.000 0.220 154 A C 1.451 179.012 177.584 -0.038 0.000 1.159 154 A CA 2.444 54.466 52.037 -0.025 0.000 0.656 154 A CB -0.451 18.532 19.000 -0.027 0.000 0.800 154 A HN -0.149 7.997 8.150 -0.008 0.000 0.453 155 L N -6.013 115.222 121.223 0.020 0.000 2.585 155 L HA 0.068 nan 4.340 nan 0.000 0.226 155 L C 0.649 177.537 176.870 0.030 0.000 1.113 155 L CA -0.261 54.594 54.840 0.025 0.000 0.876 155 L CB 0.340 42.453 42.059 0.090 0.000 1.072 155 L HN -0.592 7.543 8.230 0.072 0.138 0.468 156 G N -0.832 107.993 108.800 0.041 0.000 2.143 156 G HA2 -0.316 nan 3.960 nan 0.000 0.248 156 G HA3 -0.316 nan 3.960 nan 0.000 0.248 156 G C 0.200 175.152 174.900 0.086 0.000 0.991 156 G CA 1.135 46.261 45.100 0.044 0.000 0.689 156 G HN -0.202 7.943 8.290 0.051 0.175 0.522 157 I N -7.565 113.075 120.570 0.116 0.000 3.927 157 I HA 0.418 nan 4.170 nan 0.000 0.332 157 I C 0.387 176.578 176.117 0.124 0.000 1.485 157 I CA -3.029 58.340 61.300 0.115 0.000 1.131 157 I CB -0.756 37.254 38.000 0.018 0.000 1.092 157 I HN -0.214 8.046 8.210 0.144 0.036 0.410 158 S N 2.959 118.756 115.700 0.162 0.000 2.387 158 S HA -0.358 nan 4.470 nan 0.000 0.230 158 S C 0.885 175.527 174.600 0.069 0.000 1.035 158 S CA 3.725 62.019 58.200 0.157 0.000 1.014 158 S CB -0.272 63.014 63.200 0.144 0.000 0.836 158 S HN -0.477 7.855 8.310 0.158 0.073 0.466 159 E N -1.861 118.378 120.200 0.065 0.000 2.365 159 E HA -0.050 nan 4.350 nan 0.000 0.188 159 E C -0.239 176.143 176.600 -0.362 0.000 1.102 159 E CA -0.126 56.217 56.400 -0.094 0.000 0.927 159 E CB -1.105 28.535 29.700 -0.101 0.000 1.073 159 E HN 0.170 8.585 8.360 0.125 0.020 0.467 160 H N -2.040 116.997 119.070 -0.056 0.000 3.186 160 H HA 0.153 nan 4.556 nan 0.000 0.219 160 H C -1.977 173.264 175.328 -0.146 0.000 1.393 160 H CA -0.421 55.580 56.048 -0.077 0.000 1.183 160 H CB 0.821 30.539 29.762 -0.073 0.000 2.346 160 H HN -0.225 7.888 8.280 0.026 0.182 0.535 161 V N -5.138 114.741 119.914 -0.058 0.000 2.852 161 V HA 0.323 nan 4.120 nan 0.000 0.300 161 V C -1.415 174.820 176.094 0.235 0.000 1.205 161 V CA -1.676 60.588 62.300 -0.061 0.000 0.940 161 V CB 2.277 33.717 31.823 -0.638 0.000 1.047 161 V HN -0.620 7.554 8.190 -0.026 0.000 0.429 162 T N 5.726 120.438 114.554 0.262 0.000 2.829 162 T HA 0.478 nan 4.350 nan 0.000 0.280 162 T C -1.852 172.795 174.700 -0.089 0.000 0.999 162 T CA -0.793 61.392 62.100 0.141 0.000 0.983 162 T CB 2.653 71.549 68.868 0.047 0.000 0.968 162 T HN 0.483 8.738 8.240 0.207 0.110 0.446 163 L N 5.752 126.709 121.223 -0.443 0.000 2.261 163 L HA 0.401 nan 4.340 nan 0.000 0.289 163 L C -1.810 174.877 176.870 -0.305 0.000 1.059 163 L CA -0.861 53.464 54.840 -0.859 0.000 0.816 163 L CB 1.056 42.489 42.059 -1.043 0.000 1.191 163 L HN 0.319 8.407 8.230 -0.236 0.000 0.431 164 E N 6.594 126.671 120.200 -0.204 0.000 2.249 164 E HA 0.684 nan 4.350 nan 0.000 0.280 164 E C -1.771 174.821 176.600 -0.012 0.000 1.016 164 E CA -1.016 55.349 56.400 -0.058 0.000 0.830 164 E CB 2.186 31.872 29.700 -0.022 0.000 1.081 164 E HN 0.822 9.033 8.360 -0.248 0.000 0.395 165 L N 2.736 123.973 121.223 0.024 0.000 2.393 165 L HA 0.753 nan 4.340 nan 0.000 0.260 165 L C -2.340 174.619 176.870 0.148 0.000 1.002 165 L CA -1.095 53.815 54.840 0.117 0.000 0.818 165 L CB 4.305 46.381 42.059 0.029 0.000 1.369 165 L HN 0.541 8.777 8.230 0.011 0.000 0.412 166 N N 0.781 119.580 118.700 0.165 0.000 3.265 166 N HA 0.117 nan 4.740 nan 0.000 0.235 166 N C -3.209 172.009 175.510 -0.486 0.000 1.343 166 N CA 0.670 53.552 53.050 -0.280 0.000 0.904 166 N CB 3.851 42.237 38.487 -0.168 0.000 1.492 166 N HN 0.145 8.708 8.380 0.304 0.000 0.504 167 S N 1.715 116.879 115.700 -0.893 0.000 2.449 167 S HA 0.504 nan 4.470 nan 0.000 0.310 167 S C -0.977 173.466 174.600 -0.262 0.000 1.096 167 S CA -1.947 55.946 58.200 -0.512 0.000 1.095 167 S CB 0.925 63.780 63.200 -0.576 0.000 1.007 167 S HN 0.183 7.890 8.310 -1.006 0.000 0.474 168 I N 8.318 128.824 120.570 -0.107 0.000 3.858 168 I HA 0.166 nan 4.170 nan 0.000 0.325 168 I C -0.369 175.738 176.117 -0.018 0.000 1.403 168 I CA -2.449 58.825 61.300 -0.045 0.000 1.169 168 I CB -0.543 37.468 38.000 0.018 0.000 1.077 168 I HN 0.264 8.322 8.210 -0.059 0.117 0.403 230 D N 2.393 122.796 120.400 0.004 0.000 2.370 230 D HA -0.141 nan 4.640 nan 0.000 0.235 230 D C 0.882 177.197 176.300 0.025 0.000 1.228 230 D CA -0.443 53.565 54.000 0.014 0.000 0.884 230 D CB 1.603 42.411 40.800 0.013 0.000 1.201 230 D HN 0.017 8.388 8.370 0.001 0.000 0.456 231 E N 1.431 121.647 120.200 0.027 0.000 2.017 231 E HA -0.452 nan 4.350 nan 0.000 0.193 231 E C 1.781 178.413 176.600 0.052 0.000 0.997 231 E CA 3.040 59.462 56.400 0.037 0.000 0.804 231 E CB -0.542 29.177 29.700 0.031 0.000 0.757 231 E HN 0.506 8.879 8.360 0.022 0.000 0.448 232 E N -0.229 120.000 120.200 0.048 0.000 2.118 232 E HA -0.315 nan 4.350 nan 0.000 0.195 232 E C 2.336 178.993 176.600 0.094 0.000 0.992 232 E CA 2.719 59.158 56.400 0.066 0.000 0.804 232 E CB -1.069 28.658 29.700 0.045 0.000 0.741 232 E HN 0.329 8.711 8.360 0.037 0.000 0.458 233 S N -0.730 115.011 115.700 0.069 0.000 2.414 233 S HA -0.222 nan 4.470 nan 0.000 0.227 233 S C 2.159 176.850 174.600 0.152 0.000 1.022 233 S CA 1.911 60.165 58.200 0.090 0.000 0.958 233 S CB -0.317 62.903 63.200 0.033 0.000 0.797 233 S HN -0.608 7.919 8.310 0.046 -0.189 0.493 234 R N 1.642 122.209 120.500 0.111 0.000 2.070 234 R HA -0.300 nan 4.340 nan 0.000 0.232 234 R C 1.959 178.354 176.300 0.159 0.000 1.138 234 R CA 2.468 58.640 56.100 0.120 0.000 0.936 234 R CB -0.746 29.598 30.300 0.073 0.000 0.839 234 R HN -0.310 7.919 8.270 0.080 0.089 0.429 235 E N -1.114 119.162 120.200 0.126 0.000 2.097 235 E HA -0.408 nan 4.350 nan 0.000 0.196 235 E C 2.288 178.958 176.600 0.117 0.000 1.000 235 E CA 3.419 59.881 56.400 0.103 0.000 0.804 235 E CB -0.660 29.093 29.700 0.088 0.000 0.740 235 E HN -0.094 8.330 8.360 0.108 0.000 0.454 236 H N 0.150 119.269 119.070 0.081 0.000 2.423 236 H HA -0.241 nan 4.556 nan 0.000 0.297 236 H C 2.036 177.428 175.328 0.107 0.000 1.075 236 H CA 3.512 59.609 56.048 0.082 0.000 1.342 236 H CB 0.332 30.148 29.762 0.091 0.000 1.395 236 H HN -0.575 7.863 8.280 0.278 0.009 0.530 237 F N -1.106 118.911 119.950 0.111 0.000 2.270 237 F HA -0.224 nan 4.527 nan 0.000 0.295 237 F C 0.680 176.467 175.800 -0.021 0.000 1.087 237 F CA 2.105 60.127 58.000 0.037 0.000 1.365 237 F CB 0.364 39.374 39.000 0.017 0.000 1.056 237 F HN -0.411 8.003 8.300 0.390 0.120 0.506 238 A N -0.072 122.785 122.820 0.061 0.000 1.845 238 A HA -0.363 nan 4.320 nan 0.000 0.215 238 A C 1.953 179.468 177.584 -0.116 0.000 1.195 238 A CA 3.493 55.510 52.037 -0.034 0.000 0.616 238 A CB -1.054 17.966 19.000 0.035 0.000 0.832 238 A HN 0.628 8.887 8.150 0.182 0.000 0.443 239 G N -3.323 105.420 108.800 -0.095 0.000 2.549 239 G HA2 -0.309 nan 3.960 nan 0.000 0.222 239 G HA3 -0.309 nan 3.960 nan 0.000 0.222 239 G C 1.018 175.816 174.900 -0.170 0.000 1.100 239 G CA 1.978 47.002 45.100 -0.127 0.000 0.739 239 G HN 0.295 8.555 8.290 -0.050 0.000 0.577 240 L N -0.250 120.831 121.223 -0.236 0.000 2.200 240 L HA 0.175 nan 4.340 nan 0.000 0.200 240 L C 0.793 177.520 176.870 -0.238 0.000 1.072 240 L CA 2.339 57.029 54.840 -0.249 0.000 0.787 240 L CB 0.419 42.292 42.059 -0.309 0.000 0.957 240 L HN -0.926 6.963 8.230 -0.264 0.183 0.459 241 C N -0.164 118.914 119.300 -0.370 0.000 2.403 241 C HA -0.473 nan 4.460 nan 0.000 0.279 241 C C 1.915 176.938 174.990 0.056 0.000 1.269 241 C CA 3.754 62.640 59.018 -0.220 0.000 1.774 241 C CB -2.139 25.372 27.740 -0.382 0.000 1.993 241 C HN 0.238 7.989 8.230 -0.503 0.178 0.496 242 K N -0.103 120.274 120.400 -0.038 0.000 1.991 242 K HA -0.272 nan 4.320 nan 0.000 0.207 242 K C 1.956 178.536 176.600 -0.033 0.000 1.045 242 K CA 3.092 59.367 56.287 -0.019 0.000 0.937 242 K CB -0.798 31.680 32.500 -0.035 0.000 0.720 242 K HN -0.003 8.168 8.250 -0.099 0.020 0.438 243 L N -0.853 120.336 121.223 -0.056 0.000 2.151 243 L HA -0.392 nan 4.340 nan 0.000 0.215 243 L C 2.732 179.569 176.870 -0.055 0.000 1.084 243 L CA 2.545 57.350 54.840 -0.057 0.000 0.764 243 L CB -0.560 41.457 42.059 -0.069 0.000 0.891 243 L HN -0.765 7.421 8.230 -0.074 0.000 0.435 244 L N -3.019 118.179 121.223 -0.042 0.000 2.044 244 L HA -0.363 nan 4.340 nan 0.000 0.205 244 L C 2.187 178.978 176.870 -0.132 0.000 1.075 244 L CA 3.251 58.051 54.840 -0.067 0.000 0.747 244 L CB -1.113 40.944 42.059 -0.003 0.000 0.903 244 L HN -0.244 7.950 8.230 -0.020 0.024 0.435 245 E N -0.270 119.852 120.200 -0.131 0.000 2.033 245 E HA -0.408 nan 4.350 nan 0.000 0.199 245 E C 3.021 179.559 176.600 -0.103 0.000 1.011 245 E CA 3.744 60.053 56.400 -0.153 0.000 0.815 245 E CB -0.390 29.261 29.700 -0.082 0.000 0.755 245 E HN -0.392 7.870 8.360 -0.051 0.068 0.451 246 S N 0.090 115.748 115.700 -0.070 0.000 2.370 246 S HA -0.255 nan 4.470 nan 0.000 0.226 246 S C 1.660 176.224 174.600 -0.060 0.000 1.033 246 S CA 2.792 60.958 58.200 -0.057 0.000 1.011 246 S CB 0.076 63.248 63.200 -0.046 0.000 0.852 246 S HN -0.037 8.237 8.310 -0.060 0.000 0.457 247 A N 0.427 123.208 122.820 -0.065 0.000 2.248 247 A HA -0.041 nan 4.320 nan 0.000 0.210 247 A C 0.413 177.960 177.584 -0.063 0.000 1.174 247 A CA 0.036 52.037 52.037 -0.059 0.000 0.750 247 A CB -0.294 18.673 19.000 -0.056 0.000 0.780 247 A HN -0.431 7.503 8.150 -0.067 0.176 0.478 248 G N -0.680 108.071 108.800 -0.081 0.000 2.176 248 G HA2 -0.305 nan 3.960 nan 0.000 0.252 248 G HA3 -0.305 nan 3.960 nan 0.000 0.252 248 G C -0.321 174.529 174.900 -0.083 0.000 1.024 248 G CA 0.263 45.314 45.100 -0.083 0.000 0.755 248 G HN -0.207 7.817 8.290 -0.092 0.210 0.507 249 I N 0.790 121.293 120.570 -0.113 0.000 2.304 249 I HA -0.025 nan 4.170 nan 0.000 0.291 249 I C -1.140 174.849 176.117 -0.214 0.000 1.018 249 I CA -0.567 60.683 61.300 -0.084 0.000 1.260 249 I CB 0.107 38.084 38.000 -0.038 0.000 1.390 249 I HN -0.189 7.918 8.210 -0.136 0.021 0.475 250 A N 9.589 132.326 122.820 -0.139 0.000 2.376 250 A HA 0.175 nan 4.320 nan 0.000 0.298 250 A C -1.285 176.199 177.584 -0.167 0.000 1.271 250 A CA -0.269 51.643 52.037 -0.209 0.000 0.926 250 A CB 0.025 18.969 19.000 -0.094 0.000 1.141 250 A HN 0.487 8.616 8.150 -0.034 0.000 0.539 251 Y N 1.212 121.460 120.300 -0.087 0.000 2.602 251 Y HA 0.861 nan 4.550 nan 0.000 0.330 251 Y C -1.160 174.697 175.900 -0.071 0.000 1.114 251 Y CA -4.318 53.706 58.100 -0.127 0.000 1.182 251 Y CB 1.110 39.477 38.460 -0.155 0.000 1.305 251 Y HN -0.351 7.418 8.280 -0.851 0.000 0.502 252 T N 3.143 117.845 114.554 0.246 0.000 2.881 252 T HA 0.243 nan 4.350 nan 0.000 0.291 252 T C -2.267 172.469 174.700 0.060 0.000 0.990 252 T CA -0.074 62.112 62.100 0.144 0.000 0.976 252 T CB 2.012 70.918 68.868 0.063 0.000 0.970 252 T HN 0.391 8.721 8.240 0.151 0.000 0.438 253 V N 4.902 124.833 119.914 0.028 0.000 2.408 253 V HA 0.286 nan 4.120 nan 0.000 0.267 253 V C -1.007 175.087 176.094 0.000 0.000 1.047 253 V CA -0.970 61.329 62.300 -0.002 0.000 0.937 253 V CB 0.465 32.291 31.823 0.005 0.000 0.999 253 V HN 0.354 8.581 8.190 0.061 0.000 0.472 254 N N 9.623 128.318 118.700 -0.009 0.000 2.558 254 N HA 0.215 nan 4.740 nan 0.000 0.233 254 N C 0.806 176.293 175.510 -0.038 0.000 1.038 254 N CA -1.484 51.557 53.050 -0.015 0.000 0.934 254 N CB 0.582 39.065 38.487 -0.008 0.000 1.175 254 N HN 0.066 8.443 8.380 -0.005 0.000 0.512 255 Q N 4.688 124.465 119.800 -0.040 0.000 2.197 255 Q HA -0.296 nan 4.340 nan 0.000 0.207 255 Q C 1.031 177.002 176.000 -0.049 0.000 0.984 255 Q CA 2.444 58.214 55.803 -0.056 0.000 0.869 255 Q CB -0.176 28.540 28.738 -0.038 0.000 0.906 255 Q HN 0.351 8.606 8.270 -0.025 0.000 0.426 256 R N -2.174 118.308 120.500 -0.030 0.000 2.721 256 R HA 0.116 nan 4.340 nan 0.000 0.296 256 R C -0.917 175.374 176.300 -0.016 0.000 1.174 256 R CA -0.625 55.463 56.100 -0.019 0.000 1.129 256 R CB 0.081 30.376 30.300 -0.008 0.000 1.316 256 R HN -0.696 7.738 8.270 -0.023 -0.178 0.571 257 L N 1.382 122.587 121.223 -0.030 0.000 2.272 257 L HA 0.114 nan 4.340 nan 0.000 0.284 257 L C -1.777 175.078 176.870 -0.025 0.000 1.045 257 L CA -0.122 54.704 54.840 -0.024 0.000 0.842 257 L CB 0.960 43.001 42.059 -0.029 0.000 1.224 257 L HN -0.477 7.640 8.230 -0.046 0.086 0.430 258 V N 0.216 120.131 119.914 0.002 0.000 2.823 258 V HA 0.405 nan 4.120 nan 0.000 0.312 258 V C -1.314 174.815 176.094 0.058 0.000 1.072 258 V CA -2.160 60.157 62.300 0.029 0.000 0.937 258 V CB 2.728 34.577 31.823 0.045 0.000 1.013 258 V HN 0.079 8.275 8.190 0.010 0.000 0.430 259 R N 4.053 124.621 120.500 0.113 0.000 2.517 259 R HA 0.198 nan 4.340 nan 0.000 0.250 259 R C 0.781 177.223 176.300 0.236 0.000 1.213 259 R CA -1.083 55.131 56.100 0.190 0.000 1.146 259 R CB 0.595 31.053 30.300 0.263 0.000 1.279 259 R HN 0.170 8.523 8.270 0.138 0.000 0.597 260 G N -0.895 108.059 108.800 0.257 0.000 3.042 260 G HA2 0.008 nan 3.960 nan 0.000 0.212 260 G HA3 0.008 nan 3.960 nan 0.000 0.212 260 G C -0.982 173.989 174.900 0.119 0.000 1.166 260 G CA 0.082 45.281 45.100 0.166 0.000 0.767 260 G HN 0.270 8.744 8.290 0.307 0.000 0.546 261 L N -0.994 120.322 121.223 0.156 0.000 2.341 261 L HA 0.227 nan 4.340 nan 0.000 0.267 261 L C -0.612 176.209 176.870 -0.081 0.000 1.009 261 L CA -0.679 54.080 54.840 -0.134 0.000 0.819 261 L CB 2.727 44.468 42.059 -0.530 0.000 1.323 261 L HN -0.874 7.519 8.230 0.379 0.064 0.425 262 D N 2.771 123.054 120.400 -0.196 0.000 2.319 262 D HA -0.010 nan 4.640 nan 0.000 0.230 262 D C -0.400 175.929 176.300 0.048 0.000 1.094 262 D CA 2.084 56.058 54.000 -0.043 0.000 0.856 262 D CB -0.082 40.689 40.800 -0.049 0.000 0.915 262 D HN 0.362 8.538 8.370 -0.323 0.000 0.517 263 Y N -4.834 115.389 120.300 -0.128 0.000 2.498 263 Y HA 0.178 nan 4.550 nan 0.000 0.259 263 Y C -0.739 175.222 175.900 0.101 0.000 1.086 263 Y CA -3.189 54.872 58.100 -0.065 0.000 1.287 263 Y CB -0.950 37.406 38.460 -0.173 0.000 1.146 263 Y HN -0.559 7.633 8.280 -0.021 0.075 0.523 264 Y N 0.670 121.277 120.300 0.512 0.000 2.607 264 Y HA -0.269 nan 4.550 nan 0.000 0.348 264 Y C 0.336 176.346 175.900 0.183 0.000 1.261 264 Y CA 1.040 59.303 58.100 0.271 0.000 1.480 264 Y CB 0.357 38.965 38.460 0.246 0.000 1.358 264 Y HN -0.566 8.006 8.280 0.486 0.000 0.630 265 N N -0.932 117.948 118.700 0.299 0.000 3.296 265 N HA 0.035 nan 4.740 nan 0.000 0.266 265 N C -0.400 175.166 175.510 0.093 0.000 0.984 265 N CA 0.210 53.356 53.050 0.159 0.000 1.228 265 N CB 1.258 39.810 38.487 0.110 0.000 1.239 265 N HN -0.288 8.282 8.380 0.316 0.000 1.043 266 R N 0.232 120.777 120.500 0.075 0.000 1.906 266 R HA 0.106 nan 4.340 nan 0.000 0.186 266 R C 0.788 177.154 176.300 0.110 0.000 1.615 266 R CA 1.356 57.495 56.100 0.066 0.000 1.265 266 R CB 0.480 30.813 30.300 0.055 0.000 0.976 266 R HN 0.085 8.402 8.270 0.078 0.000 0.487 267 T N 2.528 117.207 114.554 0.207 0.000 2.908 267 T HA 0.005 nan 4.350 nan 0.000 0.301 267 T C -1.218 173.584 174.700 0.169 0.000 1.019 267 T CA 2.748 65.022 62.100 0.290 0.000 1.152 267 T CB -0.044 69.017 68.868 0.321 0.000 0.966 267 T HN -0.047 8.314 8.240 0.202 0.000 0.540 268 V N 6.957 126.962 119.914 0.152 0.000 2.610 268 V HA 0.750 nan 4.120 nan 0.000 0.298 268 V C -2.170 173.974 176.094 0.083 0.000 1.067 268 V CA -0.336 61.939 62.300 -0.041 0.000 0.894 268 V CB 2.439 34.192 31.823 -0.117 0.000 1.015 268 V HN 0.665 9.005 8.190 0.249 0.000 0.432 269 F N 3.772 123.692 119.950 -0.050 0.000 2.643 269 F HA 1.005 nan 4.527 nan 0.000 0.314 269 F C -3.012 172.771 175.800 -0.030 0.000 1.096 269 F CA -2.391 55.578 58.000 -0.051 0.000 0.953 269 F CB 3.949 42.908 39.000 -0.067 0.000 1.345 269 F HN 1.046 8.999 8.300 -0.397 0.109 0.468 270 E N -4.151 116.118 120.200 0.114 0.000 2.375 270 E HA 0.489 nan 4.350 nan 0.000 0.280 270 E C -2.258 174.402 176.600 0.099 0.000 0.972 270 E CA -1.133 55.326 56.400 0.097 0.000 0.782 270 E CB 3.420 33.141 29.700 0.034 0.000 1.229 270 E HN 0.383 8.833 8.360 0.149 0.000 0.439 271 W N 0.579 122.005 121.300 0.211 0.000 2.294 271 W HA 0.350 nan 4.660 nan 0.000 0.314 271 W C -1.020 175.500 176.519 0.001 0.000 1.044 271 W CA -0.736 56.681 57.345 0.119 0.000 1.284 271 W CB 1.307 30.867 29.460 0.166 0.000 1.231 271 W HN 0.846 9.197 8.180 0.482 0.118 0.419 272 V N 5.042 125.073 119.914 0.195 0.000 2.667 272 V HA 0.785 nan 4.120 nan 0.000 0.308 272 V C -1.633 174.493 176.094 0.054 0.000 1.048 272 V CA -2.237 60.120 62.300 0.095 0.000 0.928 272 V CB 2.700 34.560 31.823 0.061 0.000 1.004 272 V HN 0.549 8.844 8.190 0.174 0.000 0.444 273 T N 2.803 117.370 114.554 0.021 0.000 2.861 273 T HA 0.555 nan 4.350 nan 0.000 0.287 273 T C -0.283 174.431 174.700 0.023 0.000 1.003 273 T CA -1.511 60.597 62.100 0.013 0.000 0.977 273 T CB 2.039 70.897 68.868 -0.017 0.000 0.996 273 T HN 0.601 8.739 8.240 0.021 0.115 0.448 274 N N 8.194 126.917 118.700 0.037 0.000 2.295 274 N HA 0.172 nan 4.740 nan 0.000 0.221 274 N C -0.272 175.264 175.510 0.043 0.000 1.129 274 N CA 1.056 54.127 53.050 0.034 0.000 0.836 274 N CB 0.103 38.608 38.487 0.031 0.000 1.040 274 N HN 0.537 8.946 8.380 0.047 0.000 0.494 275 S N -0.831 114.893 115.700 0.041 0.000 2.603 275 S HA 0.111 nan 4.470 nan 0.000 0.232 275 S C -0.595 174.006 174.600 0.001 0.000 1.016 275 S CA -0.183 58.033 58.200 0.027 0.000 0.976 275 S CB 0.503 63.715 63.200 0.020 0.000 0.921 275 S HN -0.319 7.909 8.310 0.035 0.103 0.516 276 L N -0.470 120.755 121.223 0.003 0.000 3.425 276 L HA -0.222 nan 4.340 nan 0.000 0.686 276 L C -0.360 176.503 176.870 -0.012 0.000 1.147 276 L CA 0.306 55.144 54.840 -0.003 0.000 1.187 276 L CB -2.663 39.396 42.059 0.001 0.000 1.670 276 L HN -0.585 7.576 8.230 0.010 0.076 0.874 277 G N 0.089 108.877 108.800 -0.020 0.000 2.403 277 G HA2 -0.290 nan 3.960 nan 0.000 0.216 277 G HA3 -0.290 nan 3.960 nan 0.000 0.216 277 G C -0.936 173.959 174.900 -0.008 0.000 1.154 277 G CA 1.450 46.531 45.100 -0.031 0.000 0.784 277 G HN 0.734 9.014 8.290 -0.017 0.000 0.538 278 S N -1.203 114.495 115.700 -0.004 0.000 3.962 278 S HA 0.247 nan 4.470 nan 0.000 0.175 278 S C -0.385 174.207 174.600 -0.014 0.000 1.091 278 S CA 0.438 58.637 58.200 -0.002 0.000 1.174 278 S CB -0.222 nan 63.200 nan 0.000 1.845 278 S HN -0.582 7.715 8.310 -0.007 0.008 0.835 279 Q N -0.027 119.763 119.800 -0.016 0.000 2.352 279 Q HA 0.253 nan 4.340 nan 0.000 0.212 279 Q C 0.287 176.287 176.000 0.000 0.000 0.888 279 Q CA 0.696 56.491 55.803 -0.013 0.000 0.934 279 Q CB 1.303 30.031 28.738 -0.017 0.000 1.093 279 Q HN 0.466 8.728 8.270 -0.014 0.000 0.523 280 G N -4.306 104.497 108.800 0.005 0.000 3.876 280 G HA2 -0.204 nan 3.960 nan 0.000 0.203 280 G HA3 -0.204 nan 3.960 nan 0.000 0.203 280 G C -1.255 173.660 174.900 0.026 0.000 1.162 280 G CA 0.242 45.350 45.100 0.014 0.000 0.903 280 G HN -0.206 8.033 8.290 0.002 0.052 0.390 281 T N 4.698 119.273 114.554 0.036 0.000 2.869 281 T HA 0.274 nan 4.350 nan 0.000 0.295 281 T C -0.545 174.195 174.700 0.066 0.000 0.987 281 T CA 1.065 63.205 62.100 0.067 0.000 1.109 281 T CB 0.854 69.765 68.868 0.072 0.000 0.932 281 T HN -0.506 7.750 8.240 0.027 0.000 0.518 282 V N 2.995 122.972 119.914 0.104 0.000 3.219 282 V HA 0.281 nan 4.120 nan 0.000 0.240 282 V C -0.869 175.360 176.094 0.224 0.000 1.222 282 V CA 1.006 63.366 62.300 0.101 0.000 1.181 282 V CB 1.612 33.435 31.823 0.000 0.000 0.941 282 V HN 0.527 8.805 8.190 0.146 0.000 0.471 283 C N -1.430 118.068 119.300 0.330 0.000 2.712 283 C HA 0.796 nan 4.460 nan 0.000 0.308 283 C C -2.383 172.838 174.990 0.384 0.000 1.201 283 C CA -1.118 58.185 59.018 0.475 0.000 1.554 283 C CB 3.027 31.196 27.740 0.715 0.000 2.117 283 C HN -0.616 7.806 8.230 0.319 0.000 0.480 284 A N 4.588 127.581 122.820 0.288 0.000 2.566 284 A HA 0.869 nan 4.320 nan 0.000 0.297 284 A C -2.732 174.795 177.584 -0.094 0.000 1.059 284 A CA -0.479 51.563 52.037 0.008 0.000 0.691 284 A CB 3.134 22.171 19.000 0.061 0.000 1.282 284 A HN 0.409 8.798 8.150 0.398 0.000 0.401 285 G N -1.032 107.392 108.800 -0.627 0.000 2.548 285 G HA2 0.788 nan 3.960 nan 0.000 0.301 285 G HA3 0.788 nan 3.960 nan 0.000 0.301 285 G C -2.752 171.742 174.900 -0.676 0.000 1.349 285 G CA 0.119 44.960 45.100 -0.432 0.000 0.792 285 G HN 0.788 8.517 8.290 -0.934 0.000 0.481 286 G N -3.471 105.209 108.800 -0.200 0.000 2.428 286 G HA2 0.528 nan 3.960 nan 0.000 0.304 286 G HA3 0.528 nan 3.960 nan 0.000 0.304 286 G C -2.736 172.302 174.900 0.229 0.000 1.303 286 G CA 0.495 45.529 45.100 -0.110 0.000 0.825 286 G HN -0.328 8.045 8.290 0.138 0.000 0.484 287 R N 0.551 121.180 120.500 0.214 0.000 2.517 287 R HA 0.660 nan 4.340 nan 0.000 0.250 287 R C -0.818 175.620 176.300 0.229 0.000 1.213 287 R CA -1.158 55.011 56.100 0.116 0.000 1.146 287 R CB 2.296 32.639 30.300 0.071 0.000 1.279 287 R HN 0.523 8.889 8.270 0.160 0.000 0.597 288 Y N -6.194 114.168 120.300 0.102 0.000 3.252 288 Y HA 0.082 nan 4.550 nan 0.000 0.206 288 Y C -1.841 174.077 175.900 0.031 0.000 0.712 288 Y CA -1.090 57.029 58.100 0.032 0.000 1.137 288 Y CB -1.263 37.078 38.460 -0.199 0.000 1.131 288 Y HN -0.049 8.093 8.280 -0.230 0.000 0.529 289 D N 3.237 123.639 120.400 0.004 0.000 2.116 289 D HA -0.297 nan 4.640 nan 0.000 0.193 289 D C 2.093 178.419 176.300 0.044 0.000 0.998 289 D CA 4.529 58.522 54.000 -0.011 0.000 0.836 289 D CB -0.413 40.376 40.800 -0.019 0.000 0.951 289 D HN 0.055 8.432 8.370 0.012 0.000 0.449 290 G N -1.388 107.458 108.800 0.077 0.000 2.443 290 G HA2 -0.215 nan 3.960 nan 0.000 0.219 290 G HA3 -0.215 nan 3.960 nan 0.000 0.219 290 G C 0.843 175.791 174.900 0.081 0.000 1.131 290 G CA 1.081 46.222 45.100 0.069 0.000 0.775 290 G HN 0.268 8.611 8.290 0.089 0.000 0.547 291 L N 1.167 122.476 121.223 0.144 0.000 2.189 291 L HA -0.375 nan 4.340 nan 0.000 0.214 291 L C 1.443 178.340 176.870 0.045 0.000 1.097 291 L CA 2.568 57.480 54.840 0.119 0.000 0.764 291 L CB 0.129 42.294 42.059 0.176 0.000 0.900 291 L HN -0.659 7.699 8.230 0.213 0.000 0.436 292 V N -3.427 116.498 119.914 0.019 0.000 2.453 292 V HA -0.485 nan 4.120 nan 0.000 0.247 292 V C 1.785 177.884 176.094 0.008 0.000 1.048 292 V CA 3.644 65.925 62.300 -0.032 0.000 1.049 292 V CB -1.108 30.664 31.823 -0.086 0.000 0.672 292 V HN -0.441 7.732 8.190 0.042 0.042 0.457 293 E N 0.048 120.255 120.200 0.011 0.000 2.072 293 E HA -0.400 nan 4.350 nan 0.000 0.190 293 E C 2.342 178.943 176.600 0.003 0.000 0.982 293 E CA 2.697 59.099 56.400 0.004 0.000 0.803 293 E CB -0.751 28.946 29.700 -0.005 0.000 0.755 293 E HN -0.209 8.159 8.360 0.014 0.000 0.453 294 Q N 1.915 121.720 119.800 0.009 0.000 2.077 294 Q HA -0.281 nan 4.340 nan 0.000 0.206 294 Q C 2.227 178.222 176.000 -0.009 0.000 0.989 294 Q CA 2.985 58.790 55.803 0.004 0.000 0.853 294 Q CB -0.049 28.698 28.738 0.016 0.000 0.907 294 Q HN -0.466 7.815 8.270 0.018 0.000 0.418 295 L N -5.631 115.584 121.223 -0.013 0.000 2.627 295 L HA -0.118 nan 4.340 nan 0.000 0.233 295 L C 0.283 177.142 176.870 -0.017 0.000 1.144 295 L CA 0.180 55.002 54.840 -0.030 0.000 0.892 295 L CB -0.256 41.773 42.059 -0.050 0.000 1.039 295 L HN -0.417 7.810 8.230 -0.006 0.000 0.442 296 G N -2.444 106.354 108.800 -0.002 0.000 2.141 296 G HA2 -0.222 nan 3.960 nan 0.000 0.195 296 G HA3 -0.222 nan 3.960 nan 0.000 0.195 296 G C -0.342 174.587 174.900 0.048 0.000 1.012 296 G CA -0.167 44.939 45.100 0.009 0.000 0.696 296 G HN -0.013 8.030 8.290 -0.002 0.246 0.508 297 G N -0.967 107.876 108.800 0.071 0.000 2.630 297 G HA2 0.250 nan 3.960 nan 0.000 0.296 297 G HA3 0.250 nan 3.960 nan 0.000 0.296 297 G C -1.899 173.006 174.900 0.009 0.000 1.285 297 G CA -1.328 43.876 45.100 0.173 0.000 0.958 297 G HN -0.129 8.097 8.290 0.043 0.090 0.479 298 R N -0.671 119.696 120.500 -0.223 0.000 2.623 298 R HA -0.126 nan 4.340 nan 0.000 0.271 298 R C -0.149 176.119 176.300 -0.053 0.000 1.043 298 R CA 0.083 56.045 56.100 -0.229 0.000 1.083 298 R CB 0.342 30.378 30.300 -0.440 0.000 0.974 298 R HN 0.173 8.076 8.270 -0.612 0.000 0.436 299 A N 5.229 128.024 122.820 -0.042 0.000 2.540 299 A HA -0.028 nan 4.320 nan 0.000 0.239 299 A C -0.793 176.794 177.584 0.005 0.000 1.061 299 A CA 0.795 52.826 52.037 -0.010 0.000 0.758 299 A CB 0.339 19.332 19.000 -0.011 0.000 0.991 299 A HN 0.098 8.212 8.150 -0.060 0.000 0.502 300 T N 4.367 118.926 114.554 0.008 0.000 2.942 300 T HA 0.385 nan 4.350 nan 0.000 0.327 300 T C -3.222 171.480 174.700 0.004 0.000 1.360 300 T CA -1.890 60.223 62.100 0.022 0.000 1.055 300 T CB 2.712 71.610 68.868 0.049 0.000 1.261 300 T HN 0.081 8.319 8.240 -0.003 0.000 0.485 301 P HA 0.299 nan 4.420 nan 0.000 0.276 301 P C -2.454 174.856 177.300 0.017 0.000 1.244 301 P CA -0.839 62.262 63.100 0.001 0.000 0.801 301 P CB 0.842 32.552 31.700 0.016 0.000 1.006 302 A N -1.175 121.572 122.820 -0.120 0.000 2.547 302 A HA 0.839 nan 4.320 nan 0.000 0.297 302 A C -2.457 174.765 177.584 -0.604 0.000 1.056 302 A CA -0.344 51.582 52.037 -0.185 0.000 0.688 302 A CB 3.002 21.873 19.000 -0.214 0.000 1.282 302 A HN -0.327 7.852 8.150 -0.179 -0.135 0.400 303 V N -4.094 115.621 119.914 -0.331 0.000 3.114 303 V HA 0.814 nan 4.120 nan 0.000 0.308 303 V C -1.645 174.509 176.094 0.101 0.000 1.168 303 V CA -2.399 59.821 62.300 -0.133 0.000 1.015 303 V CB 3.647 35.509 31.823 0.066 0.000 1.050 303 V HN 0.487 8.615 8.190 -0.103 0.000 0.433 304 G N -0.243 108.747 108.800 0.317 0.000 2.342 304 G HA2 0.844 nan 3.960 nan 0.000 0.297 304 G HA3 0.844 nan 3.960 nan 0.000 0.297 304 G C -3.483 171.664 174.900 0.412 0.000 1.313 304 G CA 0.942 46.232 45.100 0.317 0.000 0.830 304 G HN -0.284 8.219 8.290 0.355 0.000 0.506 305 F N -5.508 114.629 119.950 0.311 0.000 2.773 305 F HA 0.999 nan 4.527 nan 0.000 0.314 305 F C -3.141 172.832 175.800 0.289 0.000 1.160 305 F CA -1.939 56.218 58.000 0.261 0.000 0.920 305 F CB 2.795 42.000 39.000 0.341 0.000 1.323 305 F HN 0.744 8.798 8.300 -0.409 0.000 0.457 306 A N -2.474 120.579 122.820 0.388 0.000 2.549 306 A HA 0.912 nan 4.320 nan 0.000 0.297 306 A C -3.017 174.849 177.584 0.471 0.000 1.061 306 A CA -0.470 51.765 52.037 0.330 0.000 0.690 306 A CB 3.433 22.627 19.000 0.323 0.000 1.287 306 A HN 0.717 9.175 8.150 0.514 0.000 0.402 307 M N 1.221 121.074 119.600 0.422 0.000 2.464 307 M HA 0.702 nan 4.480 nan 0.000 0.308 307 M C -1.231 175.199 176.300 0.216 0.000 1.127 307 M CA -1.601 53.913 55.300 0.356 0.000 0.913 307 M CB 4.523 37.394 32.600 0.451 0.000 1.689 307 M HN 0.971 9.374 8.290 0.366 0.107 0.445 308 G N 3.524 112.404 108.800 0.133 0.000 2.508 308 G HA2 0.123 nan 3.960 nan 0.000 0.301 308 G HA3 0.123 nan 3.960 nan 0.000 0.301 308 G C -0.596 174.342 174.900 0.064 0.000 0.965 308 G CA -0.145 44.995 45.100 0.067 0.000 1.339 308 G HN 0.491 8.866 8.290 0.141 0.000 0.455 309 L N 6.249 127.525 121.223 0.087 0.000 2.081 309 L HA -0.429 nan 4.340 nan 0.000 0.212 309 L C 1.856 178.599 176.870 -0.213 0.000 1.080 309 L CA 3.126 57.906 54.840 -0.100 0.000 0.754 309 L CB -0.394 41.635 42.059 -0.050 0.000 0.893 309 L HN 0.020 8.360 8.230 0.183 0.000 0.433 310 E N -2.031 118.223 120.200 0.090 0.000 2.106 310 E HA -0.332 nan 4.350 nan 0.000 0.192 310 E C 2.529 179.167 176.600 0.062 0.000 0.984 310 E CA 3.726 60.226 56.400 0.167 0.000 0.806 310 E CB -0.842 29.104 29.700 0.410 0.000 0.750 310 E HN 0.227 8.713 8.360 0.229 0.011 0.458 311 R N -0.859 119.677 120.500 0.060 0.000 2.081 311 R HA -0.241 nan 4.340 nan 0.000 0.235 311 R C 2.291 178.557 176.300 -0.057 0.000 1.131 311 R CA 2.040 58.151 56.100 0.019 0.000 0.960 311 R CB -1.158 29.152 30.300 0.017 0.000 0.856 311 R HN -0.727 7.583 8.270 0.084 0.010 0.436 312 L N 0.523 121.687 121.223 -0.099 0.000 1.943 312 L HA -0.319 nan 4.340 nan 0.000 0.215 312 L C 1.798 178.539 176.870 -0.215 0.000 1.074 312 L CA 3.103 57.858 54.840 -0.142 0.000 0.759 312 L CB -0.716 41.248 42.059 -0.158 0.000 0.888 312 L HN 0.024 8.207 8.230 -0.078 0.000 0.433 313 V N -0.650 119.036 119.914 -0.380 0.000 2.277 313 V HA -0.580 nan 4.120 nan 0.000 0.253 313 V C 2.099 178.048 176.094 -0.241 0.000 1.067 313 V CA 4.574 66.597 62.300 -0.462 0.000 1.047 313 V CB -1.044 30.264 31.823 -0.859 0.000 0.649 313 V HN -0.071 7.836 8.190 -0.472 0.000 0.447 314 L N -2.131 119.009 121.223 -0.137 0.000 1.990 314 L HA -0.464 nan 4.340 nan 0.000 0.213 314 L C 2.350 179.173 176.870 -0.078 0.000 1.072 314 L CA 3.157 57.963 54.840 -0.057 0.000 0.755 314 L CB -0.483 41.578 42.059 0.004 0.000 0.889 314 L HN -0.129 7.851 8.230 -0.130 0.172 0.432 315 L N -1.350 119.819 121.223 -0.092 0.000 1.976 315 L HA -0.356 nan 4.340 nan 0.000 0.209 315 L C 1.787 178.593 176.870 -0.108 0.000 1.071 315 L CA 3.423 58.202 54.840 -0.101 0.000 0.746 315 L CB -0.571 41.422 42.059 -0.111 0.000 0.890 315 L HN 0.011 7.999 8.230 -0.094 0.185 0.432 316 V N -0.981 118.872 119.914 -0.103 0.000 2.282 316 V HA -0.630 nan 4.120 nan 0.000 0.249 316 V C 2.517 178.576 176.094 -0.059 0.000 1.057 316 V CA 4.351 66.620 62.300 -0.053 0.000 1.032 316 V CB -1.150 30.652 31.823 -0.036 0.000 0.645 316 V HN 0.326 8.338 8.190 -0.121 0.105 0.447 317 Q N -2.046 117.681 119.800 -0.121 0.000 2.226 317 Q HA -0.312 nan 4.340 nan 0.000 0.204 317 Q C 1.194 177.153 176.000 -0.068 0.000 0.975 317 Q CA 2.724 58.459 55.803 -0.113 0.000 0.866 317 Q CB -0.076 28.591 28.738 -0.117 0.000 0.915 317 Q HN 0.317 8.498 8.270 -0.149 0.000 0.440 318 A N -2.085 120.690 122.820 -0.075 0.000 1.878 318 A HA -0.004 nan 4.320 nan 0.000 0.213 318 A C 1.233 178.757 177.584 -0.099 0.000 1.192 318 A CA 2.040 54.032 52.037 -0.074 0.000 0.619 318 A CB 0.435 19.389 19.000 -0.077 0.000 0.837 318 A HN -0.392 7.547 8.150 -0.087 0.160 0.446 319 V N -3.308 116.518 119.914 -0.146 0.000 2.878 319 V HA -0.077 nan 4.120 nan 0.000 0.250 319 V C 0.786 176.829 176.094 -0.085 0.000 1.075 319 V CA 2.255 64.429 62.300 -0.210 0.000 1.096 319 V CB 0.464 32.021 31.823 -0.444 0.000 0.724 319 V HN 0.021 8.127 8.190 -0.140 0.000 0.467 320 N N -1.407 117.285 118.700 -0.015 0.000 2.467 320 N HA 0.521 nan 4.740 nan 0.000 0.278 320 N C -1.904 173.664 175.510 0.096 0.000 1.306 320 N CA -1.699 51.392 53.050 0.068 0.000 0.905 320 N CB 0.722 39.312 38.487 0.172 0.000 1.236 320 N HN -0.176 8.090 8.380 -0.025 0.099 0.509 321 P HA -0.225 nan 4.420 nan 0.000 0.219 321 P C -0.557 176.778 177.300 0.059 0.000 1.147 321 P CA 1.488 64.604 63.100 0.027 0.000 0.821 321 P CB -0.093 31.612 31.700 0.009 0.000 0.771 322 E N -3.386 116.863 120.200 0.082 0.000 2.354 322 E HA 0.028 nan 4.350 nan 0.000 0.260 322 E C -1.561 175.144 176.600 0.176 0.000 1.405 322 E CA -0.955 55.500 56.400 0.091 0.000 1.728 322 E CB -1.569 28.163 29.700 0.054 0.000 1.471 322 E HN 0.183 8.525 8.360 0.073 0.062 0.441 323 F N 0.908 120.848 119.950 -0.017 0.000 2.745 323 F HA 0.246 nan 4.527 nan 0.000 0.343 323 F C -1.981 173.811 175.800 -0.014 0.000 1.196 323 F CA -0.830 57.158 58.000 -0.020 0.000 1.021 323 F CB 1.356 40.336 39.000 -0.035 0.000 1.297 323 F HN -0.636 7.662 8.300 0.178 0.109 0.486 324 K N 7.244 127.850 120.400 0.343 0.000 2.443 324 K HA 0.230 nan 4.320 nan 0.000 0.251 324 K C -1.672 175.049 176.600 0.201 0.000 0.972 324 K CA -1.781 54.572 56.287 0.110 0.000 0.833 324 K CB 2.268 34.817 32.500 0.083 0.000 1.317 324 K HN -0.111 8.408 8.250 0.449 0.000 0.441 325 A N 0.799 123.680 122.820 0.102 0.000 2.282 325 A HA 0.231 nan 4.320 nan 0.000 0.324 325 A C -0.968 176.672 177.584 0.093 0.000 1.119 325 A CA -1.133 50.982 52.037 0.130 0.000 0.880 325 A CB 0.694 19.753 19.000 0.098 0.000 1.294 325 A HN 0.281 8.451 8.150 0.033 0.000 0.493 326 D N 1.075 121.526 120.400 0.085 0.000 2.563 326 D HA -0.086 nan 4.640 nan 0.000 0.229 326 D C -1.385 174.958 176.300 0.071 0.000 1.159 326 D CA -0.372 53.669 54.000 0.070 0.000 0.869 326 D CB -0.692 40.142 40.800 0.057 0.000 1.203 326 D HN -0.005 8.419 8.370 0.090 0.000 0.478 327 P HA 0.077 nan 4.420 nan 0.000 0.297 327 P C -0.629 176.721 177.300 0.084 0.000 1.303 327 P CA -0.739 62.417 63.100 0.093 0.000 0.753 327 P CB 1.084 32.849 31.700 0.109 0.000 1.281 328 V N -3.001 116.979 119.914 0.110 0.000 2.346 328 V HA -0.000 nan 4.120 nan 0.000 0.244 328 V C -0.130 175.960 176.094 -0.006 0.000 1.037 328 V CA 1.202 63.525 62.300 0.039 0.000 1.029 328 V CB 0.696 32.542 31.823 0.038 0.000 0.663 328 V HN 0.292 8.581 8.190 0.166 0.000 0.454 329 V N -1.335 118.621 119.914 0.070 0.000 2.604 329 V HA 0.192 nan 4.120 nan 0.000 0.305 329 V C -0.811 175.350 176.094 0.111 0.000 1.043 329 V CA -0.845 61.496 62.300 0.070 0.000 0.888 329 V CB 1.928 33.822 31.823 0.118 0.000 0.995 329 V HN -0.800 7.488 8.190 0.164 0.000 0.429 330 D N 4.535 124.985 120.400 0.082 0.000 2.290 330 D HA 0.201 nan 4.640 nan 0.000 0.224 330 D C -0.068 176.297 176.300 0.108 0.000 0.967 330 D CA 2.485 56.536 54.000 0.085 0.000 0.893 330 D CB 2.254 43.089 40.800 0.058 0.000 1.037 330 D HN 0.683 8.974 8.370 0.055 0.112 0.477 331 I N -1.959 118.673 120.570 0.104 0.000 2.436 331 I HA 0.292 nan 4.170 nan 0.000 0.289 331 I C -2.397 173.818 176.117 0.163 0.000 1.010 331 I CA -0.560 60.814 61.300 0.123 0.000 1.098 331 I CB 3.052 41.095 38.000 0.073 0.000 1.266 331 I HN -0.576 7.680 8.210 0.077 0.000 0.434 332 Y N 8.081 128.423 120.300 0.069 0.000 2.334 332 Y HA 0.276 nan 4.550 nan 0.000 0.336 332 Y C -2.055 173.866 175.900 0.035 0.000 0.960 332 Y CA -2.231 55.908 58.100 0.065 0.000 1.164 332 Y CB 2.318 40.855 38.460 0.129 0.000 1.155 332 Y HN -0.123 8.337 8.280 0.300 0.000 0.478 333 L N 9.572 130.641 121.223 -0.256 0.000 2.462 333 L HA 0.141 nan 4.340 nan 0.000 0.283 333 L C -1.296 175.450 176.870 -0.206 0.000 1.166 333 L CA -0.433 54.298 54.840 -0.183 0.000 0.964 333 L CB 0.172 42.108 42.059 -0.204 0.000 1.294 333 L HN -0.073 7.786 8.230 -0.439 0.108 0.449 334 V N 7.138 127.063 119.914 0.019 0.000 2.811 334 V HA 0.175 nan 4.120 nan 0.000 0.302 334 V C -1.069 175.054 176.094 0.048 0.000 1.063 334 V CA 0.481 62.807 62.300 0.042 0.000 1.088 334 V CB 0.450 32.259 31.823 -0.023 0.000 0.982 334 V HN -0.205 8.044 8.190 0.099 0.000 0.485 335 A N 6.368 129.212 122.820 0.041 0.000 2.582 335 A HA 0.436 nan 4.320 nan 0.000 0.297 335 A C -2.499 175.071 177.584 -0.024 0.000 1.059 335 A CA 0.077 52.138 52.037 0.041 0.000 0.705 335 A CB 2.877 21.853 19.000 -0.040 0.000 1.279 335 A HN 0.278 8.734 8.150 0.005 -0.303 0.404 336 S N 0.857 116.553 115.700 -0.006 0.000 2.597 336 S HA 0.211 nan 4.470 nan 0.000 0.274 336 S C -1.374 173.202 174.600 -0.041 0.000 1.132 336 S CA -0.290 57.843 58.200 -0.113 0.000 0.835 336 S CB 1.024 63.989 63.200 -0.392 0.000 1.092 336 S HN 0.124 8.482 8.310 0.080 0.000 0.457 337 G N 0.743 109.508 108.800 -0.058 0.000 2.462 337 G HA2 -0.236 nan 3.960 nan 0.000 0.685 337 G HA3 -0.236 nan 3.960 nan 0.000 0.685 337 G C -2.063 172.831 174.900 -0.010 0.000 1.295 337 G CA -0.576 44.514 45.100 -0.017 0.000 0.941 337 G HN 0.034 8.272 8.290 -0.087 0.000 0.554 338 A N 0.908 123.728 122.820 0.001 0.000 2.544 338 A HA -0.289 nan 4.320 nan 0.000 0.286 338 A C 0.038 177.623 177.584 0.002 0.000 1.274 338 A CA 1.259 53.297 52.037 0.001 0.000 0.943 338 A CB -1.490 17.514 19.000 0.006 0.000 1.032 338 A HN -0.095 8.349 8.150 0.007 -0.290 0.560 339 D N 2.088 122.486 120.400 -0.002 0.000 3.068 339 D HA -0.321 nan 4.640 nan 0.000 0.218 339 D C 0.438 176.736 176.300 -0.002 0.000 1.145 339 D CA 0.751 54.750 54.000 -0.001 0.000 0.896 339 D CB -0.474 40.327 40.800 0.001 0.000 1.105 339 D HN 0.309 8.676 8.370 -0.006 0.000 0.423 340 T N 1.121 115.673 114.554 -0.005 0.000 2.569 340 T HA -0.400 nan 4.350 nan 0.000 0.263 340 T C 1.636 176.326 174.700 -0.016 0.000 1.074 340 T CA 3.548 65.645 62.100 -0.006 0.000 1.176 340 T CB -0.236 68.629 68.868 -0.006 0.000 0.863 340 T HN -0.308 7.891 8.240 -0.007 0.036 0.410 341 Q N 0.494 120.279 119.800 -0.026 0.000 2.167 341 Q HA -0.537 nan 4.340 nan 0.000 0.218 341 Q C 2.176 178.167 176.000 -0.015 0.000 1.033 341 Q CA 3.511 59.295 55.803 -0.032 0.000 0.918 341 Q CB -1.024 27.706 28.738 -0.013 0.000 1.019 341 Q HN 0.462 8.716 8.270 -0.028 0.000 0.417 342 S N -1.004 114.695 115.700 -0.002 0.000 2.370 342 S HA -0.294 nan 4.470 nan 0.000 0.226 342 S C 1.963 176.560 174.600 -0.005 0.000 1.033 342 S CA 2.555 60.756 58.200 0.002 0.000 1.011 342 S CB -0.478 62.724 63.200 0.004 0.000 0.852 342 S HN 0.027 8.337 8.310 -0.001 0.000 0.457 343 A N 0.027 122.842 122.820 -0.008 0.000 1.929 343 A HA -0.130 nan 4.320 nan 0.000 0.216 343 A C 1.389 178.961 177.584 -0.019 0.000 1.176 343 A CA 2.548 54.579 52.037 -0.010 0.000 0.628 343 A CB -0.779 18.218 19.000 -0.005 0.000 0.816 343 A HN 0.319 8.390 8.150 -0.007 0.075 0.444 344 A N -0.848 121.953 122.820 -0.031 0.000 1.902 344 A HA -0.323 nan 4.320 nan 0.000 0.217 344 A C 2.191 179.735 177.584 -0.066 0.000 1.181 344 A CA 3.071 55.075 52.037 -0.055 0.000 0.623 344 A CB -0.748 18.201 19.000 -0.084 0.000 0.818 344 A HN -0.110 7.830 8.150 -0.028 0.193 0.443 345 M N -2.483 117.086 119.600 -0.051 0.000 2.288 345 M HA -0.304 nan 4.480 nan 0.000 0.266 345 M C 1.952 178.239 176.300 -0.021 0.000 1.072 345 M CA 3.367 58.647 55.300 -0.034 0.000 1.132 345 M CB 0.120 32.726 32.600 0.010 0.000 1.386 345 M HN 0.008 8.275 8.290 -0.039 0.000 0.432 346 A N 0.738 123.549 122.820 -0.016 0.000 1.865 346 A HA -0.288 nan 4.320 nan 0.000 0.217 346 A C 1.754 179.329 177.584 -0.015 0.000 1.191 346 A CA 3.153 55.183 52.037 -0.011 0.000 0.623 346 A CB -0.923 18.072 19.000 -0.008 0.000 0.826 346 A HN -0.526 7.521 8.150 -0.016 0.093 0.444 347 L N -1.150 120.060 121.223 -0.020 0.000 1.970 347 L HA -0.376 nan 4.340 nan 0.000 0.212 347 L C 1.650 178.506 176.870 -0.024 0.000 1.071 347 L CA 2.610 57.438 54.840 -0.021 0.000 0.751 347 L CB -0.792 41.254 42.059 -0.023 0.000 0.889 347 L HN -0.011 8.205 8.230 -0.022 0.000 0.432 348 A N -2.088 120.710 122.820 -0.036 0.000 1.958 348 A HA -0.436 nan 4.320 nan 0.000 0.221 348 A C 2.320 179.889 177.584 -0.026 0.000 1.178 348 A CA 3.254 55.267 52.037 -0.041 0.000 0.642 348 A CB -1.044 17.917 19.000 -0.065 0.000 0.816 348 A HN -0.161 7.963 8.150 -0.044 0.000 0.453 349 E N -2.284 117.904 120.200 -0.019 0.000 2.031 349 E HA -0.346 nan 4.350 nan 0.000 0.193 349 E C 2.394 178.988 176.600 -0.009 0.000 0.994 349 E CA 2.804 59.197 56.400 -0.012 0.000 0.800 349 E CB -0.449 29.246 29.700 -0.008 0.000 0.752 349 E HN -0.249 8.087 8.360 -0.020 0.011 0.447 350 R N -0.284 120.210 120.500 -0.009 0.000 2.094 350 R HA -0.306 nan 4.340 nan 0.000 0.239 350 R C 2.372 178.669 176.300 -0.004 0.000 1.137 350 R CA 3.124 59.220 56.100 -0.006 0.000 0.943 350 R CB -0.176 30.120 30.300 -0.006 0.000 0.850 350 R HN -0.697 7.566 8.270 -0.011 0.000 0.433 351 L N -3.420 117.799 121.223 -0.007 0.000 2.187 351 L HA -0.325 nan 4.340 nan 0.000 0.213 351 L C 2.468 179.337 176.870 -0.001 0.000 1.100 351 L CA 2.672 57.511 54.840 -0.003 0.000 0.765 351 L CB -0.680 41.375 42.059 -0.005 0.000 0.904 351 L HN -0.033 8.190 8.230 -0.011 0.000 0.437 352 R N -1.494 119.003 120.500 -0.005 0.000 2.090 352 R HA -0.263 nan 4.340 nan 0.000 0.228 352 R C 1.489 177.789 176.300 0.000 0.000 1.110 352 R CA 3.052 59.150 56.100 -0.004 0.000 0.973 352 R CB -0.276 30.020 30.300 -0.008 0.000 0.869 352 R HN -0.234 7.884 8.270 -0.008 0.147 0.440 353 D N -1.829 118.571 120.400 0.000 0.000 2.097 353 D HA -0.084 nan 4.640 nan 0.000 0.197 353 D C 1.494 177.797 176.300 0.005 0.000 0.984 353 D CA 2.231 56.232 54.000 0.002 0.000 0.826 353 D CB 0.039 40.840 40.800 0.002 0.000 0.973 353 D HN -0.678 7.606 8.370 -0.002 0.086 0.460 354 E N -1.900 118.303 120.200 0.006 0.000 2.106 354 E HA -0.174 nan 4.350 nan 0.000 0.192 354 E C 0.587 177.194 176.600 0.012 0.000 0.984 354 E CA 2.163 58.569 56.400 0.009 0.000 0.806 354 E CB 0.880 30.586 29.700 0.010 0.000 0.750 354 E HN -0.250 8.112 8.360 0.004 0.000 0.458 355 L N -1.891 119.338 121.223 0.011 0.000 2.719 355 L HA 0.438 nan 4.340 nan 0.000 0.236 355 L C -2.470 174.406 176.870 0.011 0.000 1.221 355 L CA -3.026 51.822 54.840 0.014 0.000 1.048 355 L CB -0.451 41.618 42.059 0.017 0.000 1.364 355 L HN -0.254 7.870 8.230 0.008 0.111 0.447 356 P HA -0.014 nan 4.420 nan 0.000 0.271 356 P C 0.449 177.755 177.300 0.010 0.000 1.216 356 P CA 0.556 63.661 63.100 0.008 0.000 0.776 356 P CB 0.221 31.926 31.700 0.008 0.000 0.881 357 G N 1.170 109.976 108.800 0.009 0.000 2.175 357 G HA2 -0.218 nan 3.960 nan 0.000 0.244 357 G HA3 -0.218 nan 3.960 nan 0.000 0.244 357 G C -0.715 174.193 174.900 0.013 0.000 0.982 357 G CA -0.224 44.882 45.100 0.011 0.000 0.641 357 G HN 0.324 8.618 8.290 0.007 0.000 0.527 358 V N 1.511 121.433 119.914 0.012 0.000 2.481 358 V HA 0.051 nan 4.120 nan 0.000 0.286 358 V C -0.532 175.566 176.094 0.008 0.000 1.042 358 V CA -0.944 61.365 62.300 0.015 0.000 0.928 358 V CB 0.595 32.430 31.823 0.019 0.000 0.986 358 V HN -0.592 7.529 8.190 0.010 0.075 0.462 359 K N 6.616 127.022 120.400 0.009 0.000 2.268 359 K HA 0.265 nan 4.320 nan 0.000 0.276 359 K C -1.758 174.838 176.600 -0.006 0.000 1.080 359 K CA -1.040 55.243 56.287 -0.007 0.000 0.910 359 K CB 0.622 33.117 32.500 -0.009 0.000 1.163 359 K HN 0.238 8.854 8.250 0.019 -0.354 0.465 360 L N 5.006 126.215 121.223 -0.023 0.000 2.325 360 L HA 0.646 nan 4.340 nan 0.000 0.281 360 L C -2.198 174.626 176.870 -0.076 0.000 1.004 360 L CA -1.302 53.521 54.840 -0.029 0.000 0.823 360 L CB 2.708 44.753 42.059 -0.024 0.000 1.236 360 L HN 0.459 8.671 8.230 -0.030 0.000 0.415 361 M N 7.400 126.937 119.600 -0.106 0.000 2.072 361 M HA 0.394 nan 4.480 nan 0.000 0.331 361 M C -1.466 174.586 176.300 -0.414 0.000 1.004 361 M CA -1.072 54.108 55.300 -0.199 0.000 0.952 361 M CB 2.651 35.150 32.600 -0.169 0.000 1.511 361 M HN 0.433 8.694 8.290 -0.048 0.000 0.422 362 T N 9.738 124.098 114.554 -0.323 0.000 2.751 362 T HA -0.044 nan 4.350 nan 0.000 0.290 362 T C -0.260 174.056 174.700 -0.639 0.000 0.919 362 T CA 0.592 62.413 62.100 -0.464 0.000 1.136 362 T CB -0.708 67.944 68.868 -0.360 0.000 0.875 362 T HN 0.385 8.515 8.240 -0.183 0.000 0.532 363 N N 7.657 125.869 118.700 -0.814 0.000 2.329 363 N HA -0.282 nan 4.740 nan 0.000 0.237 363 N C -1.445 173.816 175.510 -0.415 0.000 1.258 363 N CA 1.224 53.994 53.050 -0.468 0.000 0.866 363 N CB 0.890 39.265 38.487 -0.186 0.000 1.102 363 N HN -0.165 7.671 8.380 -0.908 0.000 0.440 364 H N 2.468 121.540 119.070 0.005 0.000 2.961 364 H HA 0.104 nan 4.556 nan 0.000 0.371 364 H C 0.230 175.569 175.328 0.020 0.000 1.190 364 H CA 0.069 56.116 56.048 -0.001 0.000 1.138 364 H CB 3.444 33.205 29.762 -0.003 0.000 1.816 364 H HN 0.361 8.734 8.280 0.156 0.000 0.551 365 G N 2.597 111.485 108.800 0.147 0.000 2.462 365 G HA2 -0.372 nan 3.960 nan 0.000 0.283 365 G HA3 -0.372 nan 3.960 nan 0.000 0.283 365 G C -0.134 174.788 174.900 0.037 0.000 1.043 365 G CA 0.230 45.376 45.100 0.077 0.000 1.300 365 G HN 0.262 8.782 8.290 0.170 -0.128 0.518 366 G N 0.140 108.942 108.800 0.004 0.000 2.591 366 G HA2 -0.416 nan 3.960 nan 0.000 0.278 366 G HA3 -0.416 nan 3.960 nan 0.000 0.278 366 G C -1.383 173.493 174.900 -0.039 0.000 1.293 366 G CA 0.327 45.408 45.100 -0.032 0.000 0.930 366 G HN -0.026 8.267 8.290 0.005 0.000 0.562 367 G N -3.510 105.253 108.800 -0.063 0.000 3.226 367 G HA2 -0.225 nan 3.960 nan 0.000 0.685 367 G HA3 -0.225 nan 3.960 nan 0.000 0.685 367 G C -2.187 172.633 174.900 -0.134 0.000 1.207 367 G CA -0.878 44.183 45.100 -0.065 0.000 0.877 367 G HN -0.122 8.127 8.290 -0.068 0.000 0.585 368 N N 0.800 119.435 118.700 -0.108 0.000 2.444 368 N HA -0.004 nan 4.740 nan 0.000 0.255 368 N C 0.907 176.364 175.510 -0.089 0.000 1.255 368 N CA -1.375 51.587 53.050 -0.147 0.000 0.933 368 N CB 0.729 39.191 38.487 -0.042 0.000 1.143 368 N HN -0.208 8.135 8.380 -0.062 0.000 0.453 369 F N 1.231 121.219 119.950 0.063 0.000 2.087 369 F HA -0.472 nan 4.527 nan 0.000 0.299 369 F C 2.151 178.092 175.800 0.235 0.000 1.100 369 F CA 3.997 62.069 58.000 0.120 0.000 1.226 369 F CB -0.607 38.608 39.000 0.359 0.000 0.983 369 F HN 0.332 8.450 8.300 -0.304 0.000 0.479 370 K N -1.571 119.084 120.400 0.425 0.000 2.020 370 K HA -0.424 nan 4.320 nan 0.000 0.212 370 K C 2.484 179.196 176.600 0.187 0.000 1.050 370 K CA 3.652 60.129 56.287 0.317 0.000 0.929 370 K CB -0.590 32.016 32.500 0.177 0.000 0.714 370 K HN 0.025 8.493 8.250 0.359 -0.002 0.443 371 K N -0.550 119.901 120.400 0.085 0.000 1.991 371 K HA -0.402 nan 4.320 nan 0.000 0.212 371 K C 2.589 179.167 176.600 -0.036 0.000 1.049 371 K CA 3.432 59.725 56.287 0.011 0.000 0.932 371 K CB -0.081 32.413 32.500 -0.011 0.000 0.717 371 K HN 0.127 8.735 8.250 0.084 -0.307 0.441 372 Q N -1.828 117.927 119.800 -0.075 0.000 2.135 372 Q HA -0.335 nan 4.340 nan 0.000 0.204 372 Q C 2.823 178.629 176.000 -0.323 0.000 0.981 372 Q CA 3.059 58.768 55.803 -0.156 0.000 0.856 372 Q CB -0.037 28.617 28.738 -0.141 0.000 0.902 372 Q HN 0.294 8.420 8.270 -0.058 0.109 0.425 373 F N -1.272 118.710 119.950 0.054 0.000 2.293 373 F HA -0.277 nan 4.527 nan 0.000 0.300 373 F C 1.863 177.615 175.800 -0.081 0.000 1.086 373 F CA 2.761 60.761 58.000 0.001 0.000 1.375 373 F CB -0.697 38.327 39.000 0.039 0.000 1.045 373 F HN 0.444 8.461 8.300 -0.133 0.203 0.516 374 A N -0.348 122.485 122.820 0.021 0.000 1.898 374 A HA -0.217 nan 4.320 nan 0.000 0.214 374 A C 1.877 179.345 177.584 -0.194 0.000 1.183 374 A CA 2.815 54.819 52.037 -0.055 0.000 0.622 374 A CB -0.710 18.264 19.000 -0.044 0.000 0.824 374 A HN -0.104 8.044 8.150 0.034 0.023 0.444 375 R N -0.481 119.853 120.500 -0.277 0.000 2.083 375 R HA -0.408 nan 4.340 nan 0.000 0.237 375 R C 2.164 178.086 176.300 -0.629 0.000 1.137 375 R CA 3.471 59.297 56.100 -0.457 0.000 0.951 375 R CB -0.339 29.738 30.300 -0.372 0.000 0.851 375 R HN -0.145 7.999 8.270 -0.210 0.000 0.434 376 A N -2.029 120.376 122.820 -0.691 0.000 1.978 376 A HA -0.287 nan 4.320 nan 0.000 0.220 376 A C 1.747 179.250 177.584 -0.135 0.000 1.170 376 A CA 3.139 54.879 52.037 -0.496 0.000 0.636 376 A CB -0.890 17.946 19.000 -0.274 0.000 0.810 376 A HN 0.030 7.798 8.150 -0.637 0.000 0.448 377 D N -2.355 117.963 120.400 -0.137 0.000 2.162 377 D HA -0.132 nan 4.640 nan 0.000 0.203 377 D C 1.966 178.194 176.300 -0.120 0.000 0.967 377 D CA 2.304 56.263 54.000 -0.069 0.000 0.840 377 D CB -0.207 40.564 40.800 -0.048 0.000 0.972 377 D HN -0.658 7.476 8.370 -0.169 0.134 0.482 378 K N 0.084 120.313 120.400 -0.284 0.000 2.063 378 K HA -0.246 nan 4.320 nan 0.000 0.208 378 K C 1.766 178.160 176.600 -0.345 0.000 1.048 378 K CA 2.786 58.821 56.287 -0.420 0.000 0.928 378 K CB 0.117 32.181 32.500 -0.727 0.000 0.713 378 K HN -0.157 7.798 8.250 -0.333 0.095 0.442 379 W N -3.955 117.319 121.300 -0.043 0.000 2.518 379 W HA -0.144 nan 4.660 nan 0.000 0.273 379 W C -0.011 176.518 176.519 0.016 0.000 1.247 379 W CA 0.075 57.421 57.345 0.002 0.000 1.288 379 W CB 1.142 30.620 29.460 0.031 0.000 1.107 379 W HN -0.476 7.466 8.180 -0.386 0.007 0.586 380 G N -4.830 104.094 108.800 0.206 0.000 2.140 380 G HA2 -0.478 nan 3.960 nan 0.000 0.211 380 G HA3 -0.478 nan 3.960 nan 0.000 0.211 380 G C -0.859 174.131 174.900 0.151 0.000 1.013 380 G CA -0.479 44.707 45.100 0.143 0.000 0.705 380 G HN -0.696 7.511 8.290 0.123 0.157 0.508 381 A N -1.782 121.146 122.820 0.179 0.000 2.488 381 A HA -0.086 nan 4.320 nan 0.000 0.249 381 A C -0.521 177.141 177.584 0.130 0.000 1.083 381 A CA 0.275 52.419 52.037 0.179 0.000 0.768 381 A CB 0.714 19.852 19.000 0.229 0.000 1.017 381 A HN -0.178 8.084 8.150 0.187 0.000 0.496 382 R N 3.925 124.494 120.500 0.115 0.000 2.075 382 R HA 0.086 nan 4.340 nan 0.000 0.220 382 R C -0.547 175.811 176.300 0.098 0.000 1.118 382 R CA 2.133 58.287 56.100 0.090 0.000 0.986 382 R CB 1.282 31.627 30.300 0.074 0.000 0.884 382 R HN 0.679 8.913 8.270 0.118 0.106 0.439 383 V N -4.343 115.638 119.914 0.111 0.000 2.994 383 V HA 0.711 nan 4.120 nan 0.000 0.318 383 V C -1.917 174.272 176.094 0.159 0.000 1.085 383 V CA -2.142 60.227 62.300 0.116 0.000 0.998 383 V CB 3.173 35.054 31.823 0.097 0.000 1.063 383 V HN -0.673 7.586 8.190 0.114 0.000 0.447 384 A N 2.088 125.011 122.820 0.171 0.000 2.359 384 A HA 0.662 nan 4.320 nan 0.000 0.303 384 A C -2.392 175.292 177.584 0.167 0.000 1.066 384 A CA -1.473 50.699 52.037 0.226 0.000 0.730 384 A CB 2.949 22.166 19.000 0.362 0.000 1.211 384 A HN 0.635 8.871 8.150 0.144 0.000 0.439 385 V N 5.467 125.457 119.914 0.126 0.000 2.288 385 V HA 0.367 nan 4.120 nan 0.000 0.266 385 V C -0.484 175.660 176.094 0.083 0.000 1.048 385 V CA -0.271 62.075 62.300 0.077 0.000 0.842 385 V CB -0.377 31.467 31.823 0.036 0.000 1.064 385 V HN -0.098 8.168 8.190 0.127 0.000 0.472 386 V N 8.084 128.063 119.914 0.108 0.000 3.133 386 V HA 0.125 nan 4.120 nan 0.000 0.305 386 V C -0.835 175.312 176.094 0.088 0.000 1.084 386 V CA -0.152 62.222 62.300 0.124 0.000 1.089 386 V CB 1.238 33.138 31.823 0.127 0.000 1.073 386 V HN 0.513 8.765 8.190 0.105 0.000 0.477 387 L N 0.435 121.736 121.223 0.131 0.000 2.491 387 L HA 0.214 nan 4.340 nan 0.000 0.260 387 L C -1.059 175.894 176.870 0.138 0.000 1.200 387 L CA 0.262 55.160 54.840 0.097 0.000 0.882 387 L CB 2.131 44.220 42.059 0.051 0.000 1.058 387 L HN 0.133 8.492 8.230 0.216 0.000 0.487 388 G N 1.856 110.750 108.800 0.156 0.000 2.543 388 G HA2 0.058 nan 3.960 nan 0.000 0.290 388 G HA3 0.058 nan 3.960 nan 0.000 0.290 388 G C -0.016 174.939 174.900 0.093 0.000 1.310 388 G CA -1.096 44.110 45.100 0.175 0.000 1.025 388 G HN -0.156 8.486 8.290 0.121 -0.280 0.502 389 E N 0.381 120.628 120.200 0.078 0.000 2.153 389 E HA -0.370 nan 4.350 nan 0.000 0.194 389 E C 2.245 178.869 176.600 0.039 0.000 0.988 389 E CA 4.339 60.767 56.400 0.047 0.000 0.811 389 E CB -0.280 29.444 29.700 0.038 0.000 0.746 389 E HN 0.538 8.955 8.360 0.094 0.000 0.466 390 S N -0.276 115.451 115.700 0.046 0.000 2.359 390 S HA -0.400 nan 4.470 nan 0.000 0.222 390 S C 2.012 176.627 174.600 0.024 0.000 1.038 390 S CA 3.505 61.724 58.200 0.032 0.000 1.051 390 S CB -0.538 62.682 63.200 0.034 0.000 0.944 390 S HN 0.424 8.756 8.310 0.061 0.015 0.433 391 E N 0.736 120.952 120.200 0.027 0.000 2.118 391 E HA -0.280 nan 4.350 nan 0.000 0.195 391 E C 2.039 178.647 176.600 0.012 0.000 0.992 391 E CA 2.859 59.268 56.400 0.016 0.000 0.804 391 E CB -0.722 28.990 29.700 0.020 0.000 0.741 391 E HN -0.180 8.204 8.360 0.039 0.000 0.458 392 V N -0.291 119.634 119.914 0.019 0.000 2.237 392 V HA -0.358 nan 4.120 nan 0.000 0.245 392 V C 2.429 178.528 176.094 0.009 0.000 1.046 392 V CA 4.404 66.712 62.300 0.013 0.000 1.007 392 V CB -0.904 30.928 31.823 0.016 0.000 0.638 392 V HN -0.404 7.698 8.190 0.028 0.105 0.445 393 A N -0.690 122.137 122.820 0.012 0.000 2.019 393 A HA -0.259 nan 4.320 nan 0.000 0.219 393 A C 1.404 178.992 177.584 0.006 0.000 1.164 393 A CA 2.926 54.969 52.037 0.009 0.000 0.644 393 A CB -0.498 18.509 19.000 0.011 0.000 0.805 393 A HN 0.422 8.581 8.150 0.016 0.000 0.449 394 N N -3.073 115.631 118.700 0.005 0.000 2.398 394 N HA 0.009 nan 4.740 nan 0.000 0.188 394 N C 0.434 175.942 175.510 -0.002 0.000 1.122 394 N CA -0.428 52.623 53.050 0.002 0.000 0.866 394 N CB 0.065 38.552 38.487 0.001 0.000 0.970 394 N HN -0.011 8.256 8.380 0.008 0.118 0.462 395 G N -0.494 108.305 108.800 -0.002 0.000 2.225 395 G HA2 -0.452 nan 3.960 nan 0.000 0.267 395 G HA3 -0.452 nan 3.960 nan 0.000 0.267 395 G C -1.018 173.874 174.900 -0.013 0.000 1.024 395 G CA 0.945 46.041 45.100 -0.006 0.000 0.784 395 G HN -0.173 7.933 8.290 0.001 0.184 0.507 396 T N -3.805 110.741 114.554 -0.013 0.000 2.841 396 T HA 0.959 nan 4.350 nan 0.000 0.276 396 T C -1.881 172.807 174.700 -0.020 0.000 1.003 396 T CA -2.741 59.345 62.100 -0.023 0.000 0.995 396 T CB 3.158 72.013 68.868 -0.022 0.000 1.260 396 T HN -0.172 7.937 8.240 -0.007 0.127 0.581 397 A N -0.620 122.182 122.820 -0.030 0.000 2.500 397 A HA 0.303 nan 4.320 nan 0.000 0.288 397 A C -1.421 176.149 177.584 -0.023 0.000 1.045 397 A CA -0.071 51.955 52.037 -0.018 0.000 0.830 397 A CB 2.709 21.696 19.000 -0.022 0.000 1.337 397 A HN 0.290 8.412 8.150 -0.046 0.000 0.400 398 V N 4.260 124.171 119.914 -0.005 0.000 2.529 398 V HA 0.034 nan 4.120 nan 0.000 0.292 398 V C -0.589 175.512 176.094 0.012 0.000 1.028 398 V CA 1.007 63.303 62.300 -0.007 0.000 1.074 398 V CB 0.143 31.958 31.823 -0.014 0.000 0.958 398 V HN 0.269 8.463 8.190 0.006 0.000 0.481 399 V N 8.198 128.116 119.914 0.007 0.000 2.259 399 V HA 0.258 nan 4.120 nan 0.000 0.267 399 V C -1.199 174.922 176.094 0.046 0.000 1.051 399 V CA -1.349 60.972 62.300 0.034 0.000 0.830 399 V CB -0.684 31.158 31.823 0.033 0.000 1.080 399 V HN 0.387 8.573 8.190 -0.007 0.000 0.467 400 K N 8.282 128.719 120.400 0.060 0.000 2.234 400 K HA 0.193 nan 4.320 nan 0.000 0.282 400 K C -2.128 174.507 176.600 0.057 0.000 1.039 400 K CA -0.856 55.453 56.287 0.037 0.000 0.928 400 K CB 2.333 34.846 32.500 0.022 0.000 1.039 400 K HN 0.172 8.476 8.250 0.090 0.000 0.470 401 D N 6.130 126.549 120.400 0.032 0.000 2.274 401 D HA 0.296 nan 4.640 nan 0.000 0.239 401 D C 0.630 176.946 176.300 0.027 0.000 1.104 401 D CA -1.359 52.665 54.000 0.041 0.000 0.840 401 D CB 1.146 41.964 40.800 0.029 0.000 1.100 401 D HN -0.221 8.156 8.370 0.011 0.000 0.477 402 L N 4.599 125.852 121.223 0.050 0.000 2.376 402 L HA -0.208 nan 4.340 nan 0.000 0.219 402 L C 0.971 177.852 176.870 0.019 0.000 1.133 402 L CA 2.048 56.912 54.840 0.040 0.000 0.816 402 L CB -0.178 41.929 42.059 0.080 0.000 0.933 402 L HN 0.769 9.042 8.230 0.071 0.000 0.449 403 R N -2.684 117.828 120.500 0.021 0.000 2.073 403 R HA -0.155 nan 4.340 nan 0.000 0.229 403 R C 1.300 177.600 176.300 0.001 0.000 1.120 403 R CA 2.253 58.361 56.100 0.013 0.000 0.967 403 R CB 0.468 30.779 30.300 0.018 0.000 0.862 403 R HN 0.041 8.471 8.270 0.030 -0.142 0.436 404 S N -4.156 111.542 115.700 -0.003 0.000 2.505 404 S HA 0.113 nan 4.470 nan 0.000 0.216 404 S C 1.224 175.808 174.600 -0.027 0.000 1.018 404 S CA -0.062 58.131 58.200 -0.012 0.000 0.911 404 S CB 1.932 65.127 63.200 -0.008 0.000 0.818 404 S HN -0.257 8.383 8.310 0.002 -0.328 0.497 405 G N 2.165 110.944 108.800 -0.035 0.000 2.176 405 G HA2 -0.296 nan 3.960 nan 0.000 0.253 405 G HA3 -0.296 nan 3.960 nan 0.000 0.253 405 G C -0.422 174.439 174.900 -0.065 0.000 0.979 405 G CA 0.228 45.287 45.100 -0.068 0.000 0.641 405 G HN 0.168 8.445 8.290 -0.022 0.000 0.530 406 E N 3.152 123.331 120.200 -0.036 0.000 2.159 406 E HA -0.074 nan 4.350 nan 0.000 0.272 406 E C -0.513 176.075 176.600 -0.020 0.000 1.138 406 E CA -0.384 56.000 56.400 -0.028 0.000 0.915 406 E CB -0.630 29.062 29.700 -0.013 0.000 1.028 406 E HN -0.551 7.723 8.360 -0.025 0.070 0.423 407 Q N 2.520 122.299 119.800 -0.036 0.000 2.271 407 Q HA 0.451 nan 4.340 nan 0.000 0.258 407 Q C -0.889 175.105 176.000 -0.011 0.000 0.936 407 Q CA -1.340 54.447 55.803 -0.027 0.000 0.909 407 Q CB 1.214 29.914 28.738 -0.063 0.000 1.253 407 Q HN -0.043 8.197 8.270 -0.050 0.000 0.440 408 T N -1.381 113.179 114.554 0.011 0.000 2.848 408 T HA 0.351 nan 4.350 nan 0.000 0.285 408 T C -0.939 173.761 174.700 0.000 0.000 0.995 408 T CA -1.379 60.732 62.100 0.019 0.000 0.970 408 T CB 2.376 71.283 68.868 0.066 0.000 0.976 408 T HN 0.008 8.260 8.240 0.021 0.000 0.441 409 A N 5.681 128.495 122.820 -0.011 0.000 2.444 409 A HA 0.375 nan 4.320 nan 0.000 0.273 409 A C -0.567 176.985 177.584 -0.053 0.000 1.136 409 A CA 0.176 52.196 52.037 -0.029 0.000 0.799 409 A CB 0.168 19.155 19.000 -0.020 0.000 1.081 409 A HN 0.299 8.446 8.150 -0.005 0.000 0.509 410 V N 2.940 122.790 119.914 -0.108 0.000 2.769 410 V HA 0.308 nan 4.120 nan 0.000 0.312 410 V C -1.017 175.000 176.094 -0.129 0.000 1.058 410 V CA -1.628 60.555 62.300 -0.195 0.000 0.952 410 V CB 3.206 34.755 31.823 -0.457 0.000 1.019 410 V HN -0.427 7.706 8.190 -0.096 0.000 0.445 411 A N 1.195 123.948 122.820 -0.113 0.000 2.363 411 A HA 0.255 nan 4.320 nan 0.000 0.270 411 A C 1.281 178.822 177.584 -0.073 0.000 1.121 411 A CA -0.462 51.536 52.037 -0.065 0.000 0.800 411 A CB 0.571 19.549 19.000 -0.038 0.000 1.052 411 A HN 0.502 8.576 8.150 -0.126 0.000 0.493 412 Q N 5.580 125.351 119.800 -0.049 0.000 2.096 412 Q HA -0.465 nan 4.340 nan 0.000 0.208 412 Q C 2.472 178.452 176.000 -0.032 0.000 0.993 412 Q CA 3.850 59.629 55.803 -0.040 0.000 0.862 412 Q CB -0.124 28.599 28.738 -0.025 0.000 0.915 412 Q HN 0.243 8.490 8.270 -0.037 0.000 0.416 413 D N -2.925 117.462 120.400 -0.021 0.000 2.311 413 D HA -0.172 nan 4.640 nan 0.000 0.212 413 D C 1.031 177.329 176.300 -0.003 0.000 0.972 413 D CA 2.425 56.420 54.000 -0.009 0.000 0.887 413 D CB -0.651 40.147 40.800 -0.003 0.000 0.915 413 D HN 0.504 8.862 8.370 -0.021 0.000 0.497 414 S N -3.633 112.056 115.700 -0.019 0.000 2.559 414 S HA 0.241 nan 4.470 nan 0.000 0.226 414 S C 1.315 175.900 174.600 -0.024 0.000 1.030 414 S CA 0.223 58.426 58.200 0.006 0.000 0.956 414 S CB 1.923 65.141 63.200 0.029 0.000 0.900 414 S HN -0.138 7.967 8.310 -0.042 0.179 0.510 415 V N 3.637 123.494 119.914 -0.094 0.000 2.324 415 V HA -0.504 nan 4.120 nan 0.000 0.250 415 V C 1.376 177.473 176.094 0.006 0.000 1.060 415 V CA 4.303 66.539 62.300 -0.107 0.000 1.042 415 V CB -1.392 30.387 31.823 -0.074 0.000 0.650 415 V HN -0.273 7.743 8.190 -0.084 0.123 0.450 416 A N -1.724 121.108 122.820 0.019 0.000 1.873 416 A HA -0.429 nan 4.320 nan 0.000 0.218 416 A C 1.647 179.273 177.584 0.070 0.000 1.193 416 A CA 3.613 55.672 52.037 0.038 0.000 0.629 416 A CB -1.121 17.894 19.000 0.026 0.000 0.826 416 A HN -0.213 7.935 8.150 0.003 0.005 0.447 417 A N -1.340 121.534 122.820 0.091 0.000 1.908 417 A HA -0.305 nan 4.320 nan 0.000 0.218 417 A C 2.427 180.097 177.584 0.144 0.000 1.181 417 A CA 2.992 55.092 52.037 0.105 0.000 0.627 417 A CB -0.938 18.129 19.000 0.111 0.000 0.818 417 A HN -0.314 7.884 8.150 0.080 0.000 0.445 418 H N -1.067 118.008 119.070 0.010 0.000 2.321 418 H HA -0.272 nan 4.556 nan 0.000 0.300 418 H C 2.671 178.008 175.328 0.014 0.000 1.087 418 H CA 3.964 60.018 56.048 0.011 0.000 1.319 418 H CB -0.252 29.517 29.762 0.012 0.000 1.379 418 H HN -0.458 8.031 8.280 0.348 0.000 0.501 419 L N -0.990 120.328 121.223 0.158 0.000 2.083 419 L HA -0.412 nan 4.340 nan 0.000 0.209 419 L C 1.742 178.652 176.870 0.065 0.000 1.083 419 L CA 3.196 58.092 54.840 0.093 0.000 0.752 419 L CB -0.477 41.624 42.059 0.070 0.000 0.899 419 L HN 0.353 8.678 8.230 0.157 0.000 0.433 420 R N -1.066 119.470 120.500 0.060 0.000 2.091 420 R HA -0.391 nan 4.340 nan 0.000 0.238 420 R C 2.183 178.500 176.300 0.027 0.000 1.136 420 R CA 4.069 60.192 56.100 0.039 0.000 0.959 420 R CB -0.048 30.274 30.300 0.036 0.000 0.856 420 R HN 0.396 8.624 8.270 0.074 0.086 0.437 421 T N -0.586 113.982 114.554 0.022 0.000 2.894 421 T HA -0.140 nan 4.350 nan 0.000 0.258 421 T C 1.744 176.448 174.700 0.007 0.000 1.043 421 T CA 2.585 64.685 62.100 0.000 0.000 1.141 421 T CB -0.312 68.536 68.868 -0.033 0.000 0.873 421 T HN -0.531 7.628 8.240 0.034 0.102 0.449 422 L N 0.153 121.389 121.223 0.022 0.000 2.043 422 L HA -0.338 nan 4.340 nan 0.000 0.212 422 L C 1.958 178.846 176.870 0.030 0.000 1.075 422 L CA 2.621 57.479 54.840 0.030 0.000 0.752 422 L CB 0.179 42.270 42.059 0.054 0.000 0.891 422 L HN -0.119 8.025 8.230 0.034 0.107 0.432 423 L N -5.686 115.557 121.223 0.034 0.000 2.145 423 L HA -0.086 nan 4.340 nan 0.000 0.201 423 L C 0.638 177.522 176.870 0.024 0.000 1.075 423 L CA 0.850 55.709 54.840 0.033 0.000 0.773 423 L CB 0.861 42.943 42.059 0.038 0.000 0.936 423 L HN -0.190 8.045 8.230 0.036 0.017 0.451 424 G N 0.000 108.812 108.800 0.020 0.000 5.446 424 G HA2 0.000 nan 3.960 nan 0.000 0.244 424 G HA3 0.000 nan 3.960 nan 0.000 0.244 424 G CA 0.000 45.108 45.100 0.014 0.000 0.502 424 G HN 0.000 8.303 8.290 0.021 0.000 0.925