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 1ade_1_B DATA FIRST_RESID 1 DATA SEQUENCE GNNVVVLGTQ WGDEGKGKIV DLLTERAKYV VRYQGGHNAG HTLVINGEKT DATA SEQUENCE VLHLIPSGIL RENVTSIIGN GVVLSPAALM KEMKELEDRG IPVRERLLLS DATA SEQUENCE EACPLILDYH VALDNAREKA RGAKAIGTTG RGIGPAYEDK VARRGLRVGD DATA SEQUENCE LFDKETFAEK LKEVMEYHNF QLVNYYKAEA VDYQKVLDDT MAVADILTSM DATA SEQUENCE VVDVSDLLDQ ARQRGDFVMF EGAQGTLLDI DHGTYPYVTS SNTTAGGVAT DATA SEQUENCE GSGLGPRYVD YVLGILKAYS TRVGAGPFPT ELFDETGEFL CKQGNEFGAT DATA SEQUENCE TGRRRRTGWL DTVAVRRAVQ LNSLSGFCLT KLDVLDGLKE VKLCVAYRMP DATA SEQUENCE DGREVTTTPL AADDWKGVEP IYETMPGWSE STFGVKDRSG LPQAALNYIK DATA SEQUENCE RIEELTGVPI DIISTGPDRT ETMILRDPFD A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 4.012 3.960 0.087 0.000 0.244 1 G C 0.000 174.959 174.900 0.098 0.000 0.946 1 G CA 0.000 45.134 45.100 0.057 0.000 0.502 2 N N -0.499 118.323 118.700 0.203 0.000 2.251 2 N HA -0.147 nan 4.740 nan 0.000 0.181 2 N C -0.467 175.272 175.510 0.382 0.000 1.019 2 N CA 1.928 55.184 53.050 0.344 0.000 0.862 2 N CB 0.916 39.603 38.487 0.333 0.000 0.992 2 N HN -0.162 8.452 8.380 0.185 -0.123 0.429 3 N N -0.463 118.415 118.700 0.296 0.000 2.546 3 N HA 0.320 nan 4.740 nan 0.000 0.238 3 N C -2.027 173.651 175.510 0.279 0.000 0.984 3 N CA -0.469 52.791 53.050 0.351 0.000 0.935 3 N CB 0.491 39.202 38.487 0.373 0.000 1.122 3 N HN -0.585 8.223 8.380 0.243 -0.282 0.510 4 V N 4.755 124.807 119.914 0.231 0.000 2.483 4 V HA 0.664 nan 4.120 nan 0.000 0.295 4 V C -1.466 174.770 176.094 0.237 0.000 1.035 4 V CA -0.957 61.395 62.300 0.087 0.000 0.896 4 V CB 2.286 33.886 31.823 -0.372 0.000 0.986 4 V HN 0.496 8.867 8.190 0.302 0.000 0.447 5 V N 6.376 126.400 119.914 0.184 0.000 2.409 5 V HA 0.653 nan 4.120 nan 0.000 0.291 5 V C -1.347 174.840 176.094 0.155 0.000 1.020 5 V CA -1.078 61.339 62.300 0.194 0.000 0.848 5 V CB 1.312 33.165 31.823 0.050 0.000 0.990 5 V HN 0.663 8.944 8.190 0.151 0.000 0.430 6 V N 7.364 127.390 119.914 0.186 0.000 2.417 6 V HA 0.924 nan 4.120 nan 0.000 0.291 6 V C -1.690 174.494 176.094 0.150 0.000 1.024 6 V CA -1.457 60.926 62.300 0.138 0.000 0.861 6 V CB 0.403 32.295 31.823 0.116 0.000 0.985 6 V HN 0.464 8.805 8.190 0.252 0.000 0.436 7 L N 1.201 122.490 121.223 0.109 0.000 2.671 7 L HA 0.925 nan 4.340 nan 0.000 0.259 7 L C -1.571 175.334 176.870 0.059 0.000 1.021 7 L CA -1.299 53.597 54.840 0.094 0.000 0.871 7 L CB 3.563 45.692 42.059 0.117 0.000 1.472 7 L HN 0.545 8.831 8.230 0.092 0.000 0.410 8 G N -1.800 107.022 108.800 0.037 0.000 2.380 8 G HA2 0.110 nan 3.960 nan 0.000 0.262 8 G HA3 0.110 nan 3.960 nan 0.000 0.262 8 G C -0.327 174.566 174.900 -0.013 0.000 1.243 8 G CA -0.020 45.086 45.100 0.010 0.000 0.865 8 G HN 0.208 8.521 8.290 0.038 0.000 0.513 9 T N 0.073 114.613 114.554 -0.023 0.000 3.081 9 T HA 0.164 nan 4.350 nan 0.000 0.250 9 T C 0.355 174.949 174.700 -0.176 0.000 1.100 9 T CA 0.710 62.779 62.100 -0.051 0.000 1.038 9 T CB -0.018 68.873 68.868 0.039 0.000 0.962 9 T HN 0.262 8.494 8.240 -0.013 0.000 0.516 10 Q N -0.462 119.207 119.800 -0.217 0.000 3.081 10 Q HA 0.245 nan 4.340 nan 0.000 0.214 10 Q C 0.189 175.908 176.000 -0.469 0.000 1.170 10 Q CA 0.061 55.600 55.803 -0.441 0.000 0.310 10 Q CB 1.871 30.439 28.738 -0.283 0.000 5.825 10 Q HN -0.177 8.369 8.270 -0.137 -0.359 0.316 11 W N -2.709 118.528 121.300 -0.105 0.000 2.966 11 W HA 0.209 nan 4.660 nan 0.000 0.406 11 W C -0.336 176.123 176.519 -0.100 0.000 1.027 11 W CA -0.393 56.879 57.345 -0.122 0.000 1.930 11 W CB 0.405 29.736 29.460 -0.216 0.000 1.144 11 W HN 0.314 8.537 8.180 0.072 0.000 0.626 12 G N -1.143 107.699 108.800 0.069 0.000 2.603 12 G HA2 -0.268 nan 3.960 nan 0.000 0.686 12 G HA3 -0.268 nan 3.960 nan 0.000 0.686 12 G C -2.002 172.907 174.900 0.015 0.000 1.286 12 G CA -0.733 44.389 45.100 0.037 0.000 0.871 12 G HN -0.416 8.187 8.290 0.013 -0.304 0.568 13 D N -3.004 117.398 120.400 0.002 0.000 2.983 13 D HA -0.437 nan 4.640 nan 0.000 0.225 13 D C 0.739 177.016 176.300 -0.039 0.000 1.174 13 D CA 1.728 55.720 54.000 -0.014 0.000 0.831 13 D CB -0.608 40.186 40.800 -0.010 0.000 1.104 13 D HN 0.330 8.704 8.370 0.007 0.000 0.421 14 E N -0.937 119.239 120.200 -0.039 0.000 2.274 14 E HA -0.167 nan 4.350 nan 0.000 0.194 14 E C 0.872 177.443 176.600 -0.048 0.000 0.996 14 E CA 1.691 58.055 56.400 -0.059 0.000 0.840 14 E CB -0.094 29.579 29.700 -0.045 0.000 0.772 14 E HN 0.299 8.601 8.360 -0.024 0.044 0.491 15 G N -2.686 106.093 108.800 -0.034 0.000 2.215 15 G HA2 -0.283 nan 3.960 nan 0.000 0.198 15 G HA3 -0.283 nan 3.960 nan 0.000 0.198 15 G C 0.340 175.222 174.900 -0.030 0.000 1.047 15 G CA 0.137 45.217 45.100 -0.032 0.000 0.747 15 G HN 0.103 8.339 8.290 -0.031 0.035 0.495 16 K N -0.441 119.943 120.400 -0.026 0.000 2.211 16 K HA -0.151 nan 4.320 nan 0.000 0.203 16 K C 1.438 178.018 176.600 -0.033 0.000 1.050 16 K CA 1.287 57.569 56.287 -0.009 0.000 0.945 16 K CB -0.523 31.988 32.500 0.019 0.000 0.732 16 K HN 0.101 8.335 8.250 -0.026 0.000 0.451 17 G N 0.349 109.071 108.800 -0.130 0.000 2.574 17 G HA2 -0.381 nan 3.960 nan 0.000 0.220 17 G HA3 -0.381 nan 3.960 nan 0.000 0.220 17 G C 0.990 175.821 174.900 -0.114 0.000 1.173 17 G CA 2.007 46.917 45.100 -0.317 0.000 0.772 17 G HN 0.369 8.557 8.290 -0.131 0.024 0.585 18 K N 1.122 121.487 120.400 -0.059 0.000 2.057 18 K HA -0.221 nan 4.320 nan 0.000 0.207 18 K C 2.225 178.847 176.600 0.037 0.000 1.049 18 K CA 3.001 59.291 56.287 0.005 0.000 0.931 18 K CB -0.047 32.452 32.500 -0.002 0.000 0.714 18 K HN -0.464 7.741 8.250 -0.074 0.000 0.440 19 I N -0.670 119.917 120.570 0.029 0.000 2.252 19 I HA -0.336 nan 4.170 nan 0.000 0.245 19 I C 2.084 178.243 176.117 0.070 0.000 1.102 19 I CA 1.974 63.299 61.300 0.041 0.000 1.385 19 I CB -1.271 36.750 38.000 0.034 0.000 1.064 19 I HN -0.664 7.553 8.210 0.012 0.000 0.414 20 V N 1.736 121.708 119.914 0.098 0.000 2.282 20 V HA -0.578 nan 4.120 nan 0.000 0.249 20 V C 2.005 178.186 176.094 0.145 0.000 1.057 20 V CA 5.154 67.539 62.300 0.141 0.000 1.032 20 V CB -1.160 30.788 31.823 0.210 0.000 0.645 20 V HN 0.626 8.864 8.190 0.080 0.000 0.447 21 D N -0.578 119.925 120.400 0.173 0.000 2.123 21 D HA -0.270 nan 4.640 nan 0.000 0.196 21 D C 2.686 179.039 176.300 0.089 0.000 0.992 21 D CA 3.375 57.455 54.000 0.133 0.000 0.833 21 D CB -0.443 40.452 40.800 0.160 0.000 0.954 21 D HN -0.340 8.155 8.370 0.207 0.000 0.455 22 L N 0.526 121.796 121.223 0.079 0.000 2.017 22 L HA -0.255 nan 4.340 nan 0.000 0.208 22 L C 2.041 178.962 176.870 0.086 0.000 1.073 22 L CA 3.211 58.090 54.840 0.064 0.000 0.745 22 L CB 0.115 42.202 42.059 0.047 0.000 0.894 22 L HN -0.219 8.058 8.230 0.079 0.000 0.432 23 L N -2.420 118.867 121.223 0.106 0.000 2.131 23 L HA -0.459 nan 4.340 nan 0.000 0.210 23 L C 1.724 178.715 176.870 0.203 0.000 1.092 23 L CA 3.199 58.148 54.840 0.182 0.000 0.759 23 L CB -0.543 41.605 42.059 0.148 0.000 0.903 23 L HN 0.093 8.377 8.230 0.090 0.000 0.435 24 T N -5.311 109.319 114.554 0.127 0.000 3.077 24 T HA -0.271 nan 4.350 nan 0.000 0.269 24 T C 1.387 176.113 174.700 0.042 0.000 1.146 24 T CA 2.468 64.617 62.100 0.081 0.000 1.091 24 T CB -0.977 67.919 68.868 0.045 0.000 0.892 24 T HN -0.117 8.102 8.240 0.113 0.090 0.533 25 E N 0.587 120.818 120.200 0.052 0.000 2.208 25 E HA -0.163 nan 4.350 nan 0.000 0.193 25 E C 0.899 177.502 176.600 0.005 0.000 0.988 25 E CA 1.791 58.206 56.400 0.024 0.000 0.828 25 E CB 0.013 29.733 29.700 0.033 0.000 0.763 25 E HN -0.395 7.837 8.360 0.076 0.173 0.478 26 R N -3.690 116.814 120.500 0.008 0.000 2.191 26 R HA 0.116 nan 4.340 nan 0.000 0.196 26 R C -0.113 176.092 176.300 -0.158 0.000 0.991 26 R CA 0.210 56.268 56.100 -0.070 0.000 1.075 26 R CB 1.791 32.012 30.300 -0.131 0.000 1.040 26 R HN -0.564 7.611 8.270 0.063 0.133 0.526 27 A N -1.005 121.725 122.820 -0.150 0.000 2.540 27 A HA -0.098 nan 4.320 nan 0.000 0.239 27 A C -0.247 177.280 177.584 -0.095 0.000 1.061 27 A CA 0.729 52.705 52.037 -0.102 0.000 0.758 27 A CB 0.712 19.785 19.000 0.122 0.000 0.991 27 A HN -0.465 7.679 8.150 -0.010 0.000 0.502 28 K N 4.186 124.515 120.400 -0.118 0.000 2.211 28 K HA -0.009 nan 4.320 nan 0.000 0.201 28 K C -0.746 175.556 176.600 -0.496 0.000 1.052 28 K CA 1.108 57.208 56.287 -0.312 0.000 0.973 28 K CB 1.672 33.948 32.500 -0.373 0.000 0.766 28 K HN 0.614 8.720 8.250 -0.026 0.128 0.466 29 Y N -3.745 116.530 120.300 -0.041 0.000 2.425 29 Y HA 0.411 nan 4.550 nan 0.000 0.344 29 Y C -1.683 174.172 175.900 -0.075 0.000 0.969 29 Y CA -1.095 56.969 58.100 -0.059 0.000 1.052 29 Y CB 3.295 41.706 38.460 -0.081 0.000 1.215 29 Y HN -0.456 7.860 8.280 0.060 0.000 0.451 30 V N 2.983 122.938 119.914 0.070 0.000 2.444 30 V HA 0.629 nan 4.120 nan 0.000 0.294 30 V C -1.749 174.356 176.094 0.018 0.000 1.022 30 V CA -0.724 61.592 62.300 0.026 0.000 0.850 30 V CB 1.317 33.160 31.823 0.034 0.000 0.992 30 V HN 0.552 8.794 8.190 0.087 0.000 0.426 31 V N 7.966 127.860 119.914 -0.033 0.000 2.540 31 V HA 0.696 nan 4.120 nan 0.000 0.302 31 V C -1.101 175.141 176.094 0.247 0.000 1.035 31 V CA -1.792 60.546 62.300 0.064 0.000 0.873 31 V CB 2.351 34.143 31.823 -0.052 0.000 0.992 31 V HN 1.225 9.246 8.190 -0.104 0.106 0.428 32 R N 5.746 126.376 120.500 0.216 0.000 2.312 32 R HA 0.563 nan 4.340 nan 0.000 0.311 32 R C -0.325 176.138 176.300 0.271 0.000 1.004 32 R CA -1.918 54.293 56.100 0.184 0.000 0.902 32 R CB 1.341 31.701 30.300 0.100 0.000 1.073 32 R HN 0.463 8.832 8.270 0.165 0.000 0.457 33 Y N -0.339 120.073 120.300 0.185 0.000 2.563 33 Y HA 0.221 nan 4.550 nan 0.000 0.250 33 Y C -2.052 173.932 175.900 0.141 0.000 1.126 33 Y CA -2.098 56.105 58.100 0.172 0.000 1.231 33 Y CB 1.725 40.299 38.460 0.191 0.000 1.288 33 Y HN -0.022 8.127 8.280 -0.218 0.000 0.537 34 Q N -3.961 115.696 119.800 -0.238 0.000 2.534 34 Q HA 0.240 nan 4.340 nan 0.000 0.290 34 Q C -0.458 175.535 176.000 -0.012 0.000 0.991 34 Q CA -0.889 54.863 55.803 -0.085 0.000 0.783 34 Q CB 2.576 31.217 28.738 -0.162 0.000 1.470 34 Q HN -0.675 7.389 8.270 -0.343 0.000 0.406 35 G N 0.870 109.748 108.800 0.129 0.000 2.645 35 G HA2 -0.465 nan 3.960 nan 0.000 0.239 35 G HA3 -0.465 nan 3.960 nan 0.000 0.239 35 G C -1.775 173.191 174.900 0.110 0.000 1.331 35 G CA -0.108 45.078 45.100 0.143 0.000 0.890 35 G HN -0.207 8.226 8.290 0.238 0.000 0.572 36 G N -0.646 108.197 108.800 0.071 0.000 3.253 36 G HA2 0.408 nan 3.960 nan 0.000 0.175 36 G HA3 0.408 nan 3.960 nan 0.000 0.175 36 G C -1.373 173.610 174.900 0.138 0.000 1.098 36 G CA 0.059 45.217 45.100 0.097 0.000 0.790 36 G HN -0.334 8.223 8.290 0.052 -0.237 0.648 37 H N 0.016 119.083 119.070 -0.006 0.000 2.983 37 H HA 0.139 nan 4.556 nan 0.000 0.222 37 H C -0.782 174.546 175.328 0.001 0.000 1.828 37 H CA -2.030 54.033 56.048 0.025 0.000 1.309 37 H CB -2.598 27.167 29.762 0.004 0.000 1.644 37 H HN 0.318 8.992 8.280 0.657 0.000 0.561 38 N N -2.242 116.457 118.700 -0.001 0.000 2.240 38 N HA -0.015 nan 4.740 nan 0.000 0.240 38 N C -0.104 175.487 175.510 0.136 0.000 1.277 38 N CA -0.758 52.272 53.050 -0.032 0.000 0.873 38 N CB -0.652 37.770 38.487 -0.110 0.000 1.222 38 N HN -0.290 8.045 8.380 0.059 0.081 0.507 39 A N 0.823 123.764 122.820 0.202 0.000 1.972 39 A HA -0.131 nan 4.320 nan 0.000 0.219 39 A C 1.006 178.695 177.584 0.176 0.000 1.169 39 A CA 1.497 53.632 52.037 0.164 0.000 0.635 39 A CB -0.277 18.809 19.000 0.144 0.000 0.810 39 A HN -0.242 7.950 8.150 0.213 0.086 0.446 40 G N -1.904 107.070 108.800 0.289 0.000 2.321 40 G HA2 -0.422 nan 3.960 nan 0.000 0.287 40 G HA3 -0.422 nan 3.960 nan 0.000 0.287 40 G C -0.929 173.972 174.900 0.001 0.000 1.018 40 G CA 0.383 45.548 45.100 0.108 0.000 0.855 40 G HN -0.564 8.079 8.290 0.624 0.022 0.507 41 H N 1.424 120.436 119.070 -0.097 0.000 3.004 41 H HA 0.039 nan 4.556 nan 0.000 0.267 41 H C -0.746 174.528 175.328 -0.089 0.000 1.165 41 H CA -1.457 54.555 56.048 -0.061 0.000 1.450 41 H CB 0.462 30.204 29.762 -0.033 0.000 1.488 41 H HN 0.200 8.414 8.280 0.048 0.095 0.478 42 T N 5.593 120.162 114.554 0.026 0.000 2.761 42 T HA 0.354 nan 4.350 nan 0.000 0.296 42 T C -1.016 173.756 174.700 0.120 0.000 0.934 42 T CA -0.639 61.485 62.100 0.039 0.000 1.091 42 T CB -0.292 68.574 68.868 -0.003 0.000 0.896 42 T HN 0.070 8.255 8.240 -0.093 0.000 0.515 43 L N 0.297 121.591 121.223 0.119 0.000 2.485 43 L HA 0.571 nan 4.340 nan 0.000 0.245 43 L C -1.987 174.917 176.870 0.058 0.000 1.137 43 L CA -1.107 53.804 54.840 0.118 0.000 0.954 43 L CB 2.814 44.966 42.059 0.156 0.000 1.560 43 L HN 0.845 8.999 8.230 0.072 0.119 0.403 44 V N -0.867 119.075 119.914 0.047 0.000 2.340 44 V HA 0.494 nan 4.120 nan 0.000 0.277 44 V C 0.055 176.160 176.094 0.018 0.000 1.017 44 V CA -0.799 61.519 62.300 0.029 0.000 0.820 44 V CB -0.411 31.430 31.823 0.030 0.000 1.028 44 V HN 0.180 8.403 8.190 0.055 0.000 0.436 45 I N 6.788 127.364 120.570 0.010 0.000 2.396 45 I HA 0.156 nan 4.170 nan 0.000 0.292 45 I C 0.303 176.421 176.117 0.002 0.000 0.999 45 I CA -0.666 60.635 61.300 0.001 0.000 1.310 45 I CB 1.377 39.374 38.000 -0.006 0.000 1.404 45 I HN 0.878 9.094 8.210 0.011 0.000 0.496 46 N N 6.403 125.103 118.700 -0.000 0.000 2.696 46 N HA -0.416 nan 4.740 nan 0.000 0.254 46 N C 0.343 175.855 175.510 0.003 0.000 0.988 46 N CA 1.126 54.176 53.050 0.000 0.000 0.775 46 N CB -1.604 36.882 38.487 -0.002 0.000 0.933 46 N HN 0.985 9.363 8.380 -0.002 0.000 0.539 47 G N -4.848 103.956 108.800 0.007 0.000 2.234 47 G HA2 -0.327 nan 3.960 nan 0.000 0.235 47 G HA3 -0.327 nan 3.960 nan 0.000 0.235 47 G C -0.828 174.078 174.900 0.010 0.000 0.997 47 G CA -0.084 45.021 45.100 0.009 0.000 0.623 47 G HN 0.339 8.615 8.290 0.008 0.019 0.514 48 E N 1.047 121.253 120.200 0.010 0.000 2.221 48 E HA 0.231 nan 4.350 nan 0.000 0.268 48 E C -1.257 175.351 176.600 0.014 0.000 0.933 48 E CA -1.711 54.696 56.400 0.011 0.000 0.809 48 E CB 2.667 32.373 29.700 0.009 0.000 1.190 48 E HN 0.354 8.532 8.360 0.008 0.187 0.406 49 K N 1.427 121.837 120.400 0.016 0.000 2.249 49 K HA 0.223 nan 4.320 nan 0.000 0.280 49 K C -0.868 175.742 176.600 0.016 0.000 1.033 49 K CA 0.402 56.700 56.287 0.019 0.000 0.946 49 K CB 0.884 33.397 32.500 0.022 0.000 1.005 49 K HN 0.242 8.502 8.250 0.015 0.000 0.469 50 T N 2.931 117.494 114.554 0.015 0.000 2.812 50 T HA 0.356 nan 4.350 nan 0.000 0.294 50 T C -1.861 172.836 174.700 -0.006 0.000 1.159 50 T CA -1.226 60.877 62.100 0.005 0.000 1.008 50 T CB 3.536 72.403 68.868 -0.002 0.000 1.289 50 T HN 0.717 8.848 8.240 0.022 0.123 0.514 51 V N 1.077 120.967 119.914 -0.041 0.000 2.577 51 V HA 0.732 nan 4.120 nan 0.000 0.303 51 V C -1.197 174.778 176.094 -0.199 0.000 1.042 51 V CA -0.514 61.711 62.300 -0.125 0.000 0.872 51 V CB 1.696 33.412 31.823 -0.178 0.000 0.998 51 V HN 0.315 8.486 8.190 -0.032 0.000 0.423 52 L N 6.078 127.192 121.223 -0.181 0.000 2.305 52 L HA 0.454 nan 4.340 nan 0.000 0.284 52 L C -0.361 176.405 176.870 -0.172 0.000 1.013 52 L CA -0.914 53.845 54.840 -0.135 0.000 0.819 52 L CB 1.412 43.424 42.059 -0.077 0.000 1.227 52 L HN 1.140 9.183 8.230 -0.096 0.129 0.417 53 H N 3.738 122.853 119.070 0.074 0.000 2.681 53 H HA 0.263 nan 4.556 nan 0.000 0.268 53 H C 0.847 176.228 175.328 0.087 0.000 0.967 53 H CA 2.536 58.634 56.048 0.083 0.000 1.233 53 H CB 2.100 31.919 29.762 0.094 0.000 1.445 53 H HN 1.214 10.132 8.280 0.071 -0.595 0.494 54 L N -1.038 120.293 121.223 0.179 0.000 2.663 54 L HA 0.236 nan 4.340 nan 0.000 0.218 54 L C -0.527 176.383 176.870 0.066 0.000 1.043 54 L CA 0.475 55.389 54.840 0.123 0.000 0.876 54 L CB 2.394 44.521 42.059 0.112 0.000 1.263 54 L HN -0.596 8.183 8.230 0.148 -0.460 0.486 55 I N 0.395 120.989 120.570 0.039 0.000 2.416 55 I HA 0.039 nan 4.170 nan 0.000 0.288 55 I C -1.947 174.163 176.117 -0.012 0.000 1.051 55 I CA -1.092 60.215 61.300 0.012 0.000 1.375 55 I CB -0.498 37.501 38.000 -0.002 0.000 1.407 55 I HN -0.107 8.535 8.210 0.044 -0.406 0.516 56 P HA 0.078 nan 4.420 nan 0.000 0.268 56 P C 0.131 177.365 177.300 -0.110 0.000 1.208 56 P CA -0.093 62.985 63.100 -0.037 0.000 0.777 56 P CB 0.639 32.340 31.700 0.002 0.000 0.875 57 S N 4.060 119.622 115.700 -0.230 0.000 2.442 57 S HA -0.308 nan 4.470 nan 0.000 0.236 57 S C 2.240 176.750 174.600 -0.149 0.000 1.007 57 S CA 3.230 61.238 58.200 -0.320 0.000 0.965 57 S CB -0.539 62.268 63.200 -0.655 0.000 0.773 57 S HN 0.615 8.780 8.310 -0.242 0.000 0.504 58 G N 1.594 110.343 108.800 -0.086 0.000 2.535 58 G HA2 -0.203 nan 3.960 nan 0.000 0.218 58 G HA3 -0.203 nan 3.960 nan 0.000 0.218 58 G C 0.750 175.622 174.900 -0.047 0.000 1.122 58 G CA 1.030 46.101 45.100 -0.048 0.000 0.769 58 G HN 0.183 8.379 8.290 -0.077 0.048 0.549 59 I N 2.699 123.238 120.570 -0.051 0.000 2.530 59 I HA -0.332 nan 4.170 nan 0.000 0.257 59 I C 0.538 176.630 176.117 -0.041 0.000 1.179 59 I CA 1.442 62.718 61.300 -0.040 0.000 1.440 59 I CB 0.280 38.257 38.000 -0.038 0.000 1.087 59 I HN -0.430 7.697 8.210 -0.061 0.047 0.440 60 L N -3.105 118.090 121.223 -0.047 0.000 2.478 60 L HA -0.169 nan 4.340 nan 0.000 0.223 60 L C 0.264 177.115 176.870 -0.033 0.000 1.140 60 L CA 0.630 55.447 54.840 -0.037 0.000 0.842 60 L CB -0.685 41.351 42.059 -0.038 0.000 0.953 60 L HN -0.746 7.397 8.230 -0.058 0.052 0.452 61 R N -1.427 119.051 120.500 -0.037 0.000 2.514 61 R HA 0.244 nan 4.340 nan 0.000 0.301 61 R C 0.492 176.763 176.300 -0.048 0.000 0.962 61 R CA -1.015 55.061 56.100 -0.039 0.000 0.882 61 R CB 1.073 31.349 30.300 -0.040 0.000 1.143 61 R HN -0.563 7.636 8.270 -0.041 0.046 0.452 62 E N 5.686 125.858 120.200 -0.046 0.000 2.150 62 E HA -0.335 nan 4.350 nan 0.000 0.193 62 E C 0.426 176.985 176.600 -0.069 0.000 0.985 62 E CA 2.356 58.725 56.400 -0.050 0.000 0.814 62 E CB -0.342 29.333 29.700 -0.042 0.000 0.752 62 E HN 0.610 8.946 8.360 -0.040 0.000 0.466 63 N N -0.630 118.021 118.700 -0.082 0.000 2.463 63 N HA -0.024 nan 4.740 nan 0.000 0.181 63 N C -1.333 174.081 175.510 -0.160 0.000 1.078 63 N CA 0.319 53.301 53.050 -0.115 0.000 0.902 63 N CB 0.760 39.179 38.487 -0.114 0.000 0.970 63 N HN -0.216 8.121 8.380 -0.072 0.000 0.451 64 V N -0.841 118.991 119.914 -0.135 0.000 2.509 64 V HA 0.267 nan 4.120 nan 0.000 0.284 64 V C -0.322 175.690 176.094 -0.136 0.000 1.047 64 V CA -0.166 62.039 62.300 -0.158 0.000 0.952 64 V CB 0.637 32.401 31.823 -0.098 0.000 0.988 64 V HN -0.748 7.334 8.190 -0.100 0.048 0.469 65 T N 10.210 124.661 114.554 -0.172 0.000 2.770 65 T HA 0.330 nan 4.350 nan 0.000 0.283 65 T C -1.115 173.604 174.700 0.031 0.000 0.988 65 T CA -0.963 61.105 62.100 -0.054 0.000 0.957 65 T CB 1.322 70.184 68.868 -0.011 0.000 0.930 65 T HN 0.478 8.546 8.240 -0.286 0.000 0.443 66 S N 7.432 123.150 115.700 0.031 0.000 2.499 66 S HA 0.777 nan 4.470 nan 0.000 0.279 66 S C -1.550 173.092 174.600 0.069 0.000 1.219 66 S CA 0.129 58.356 58.200 0.044 0.000 1.062 66 S CB 0.802 64.013 63.200 0.018 0.000 0.978 66 S HN 0.912 9.232 8.310 0.016 0.000 0.489 67 I N 5.079 125.698 120.570 0.082 0.000 2.465 67 I HA 0.581 nan 4.170 nan 0.000 0.291 67 I C -1.616 174.556 176.117 0.092 0.000 1.014 67 I CA -0.814 60.538 61.300 0.087 0.000 1.093 67 I CB 3.359 41.413 38.000 0.089 0.000 1.267 67 I HN 1.029 9.286 8.210 0.078 0.000 0.431 68 I N 6.674 127.296 120.570 0.087 0.000 2.330 68 I HA 0.358 nan 4.170 nan 0.000 0.286 68 I C -0.534 175.650 176.117 0.111 0.000 1.025 68 I CA -1.385 59.971 61.300 0.094 0.000 1.197 68 I CB 0.426 38.466 38.000 0.068 0.000 1.358 68 I HN 0.288 8.544 8.210 0.076 0.000 0.467 69 G N 4.991 113.882 108.800 0.152 0.000 2.636 69 G HA2 -0.074 nan 3.960 nan 0.000 0.246 69 G HA3 -0.074 nan 3.960 nan 0.000 0.246 69 G C 0.765 175.752 174.900 0.144 0.000 1.216 69 G CA -1.347 43.854 45.100 0.167 0.000 0.854 69 G HN 0.569 8.966 8.290 0.179 0.000 0.572 70 N N 1.240 120.023 118.700 0.137 0.000 2.272 70 N HA -0.346 nan 4.740 nan 0.000 0.185 70 N C 1.591 177.186 175.510 0.142 0.000 1.014 70 N CA 2.382 55.505 53.050 0.123 0.000 0.870 70 N CB -0.648 37.906 38.487 0.112 0.000 0.975 70 N HN 0.369 8.833 8.380 0.139 0.000 0.433 71 G N -0.697 108.209 108.800 0.177 0.000 2.559 71 G HA2 -0.147 nan 3.960 nan 0.000 0.216 71 G HA3 -0.147 nan 3.960 nan 0.000 0.216 71 G C -1.141 173.891 174.900 0.220 0.000 1.126 71 G CA 0.701 45.928 45.100 0.212 0.000 0.778 71 G HN -0.069 8.207 8.290 0.190 0.128 0.543 72 V N 1.155 121.158 119.914 0.147 0.000 2.465 72 V HA 0.331 nan 4.120 nan 0.000 0.279 72 V C 0.057 176.155 176.094 0.006 0.000 1.045 72 V CA -0.397 61.959 62.300 0.093 0.000 0.938 72 V CB 0.428 32.297 31.823 0.077 0.000 0.986 72 V HN -0.545 7.558 8.190 0.136 0.169 0.467 73 V N 3.075 122.925 119.914 -0.107 0.000 2.406 73 V HA 0.378 nan 4.120 nan 0.000 0.272 73 V C -1.160 174.875 176.094 -0.098 0.000 1.043 73 V CA -1.547 60.619 62.300 -0.222 0.000 0.915 73 V CB -0.373 31.145 31.823 -0.508 0.000 0.988 73 V HN 0.214 8.360 8.190 -0.072 0.000 0.466 74 L N 6.728 127.903 121.223 -0.080 0.000 2.282 74 L HA 0.513 nan 4.340 nan 0.000 0.288 74 L C -1.421 175.386 176.870 -0.104 0.000 1.033 74 L CA -1.241 53.560 54.840 -0.065 0.000 0.807 74 L CB 2.672 44.711 42.059 -0.034 0.000 1.209 74 L HN 0.778 8.957 8.230 -0.085 0.000 0.423 75 S N 6.649 122.240 115.700 -0.180 0.000 2.410 75 S HA 0.438 nan 4.470 nan 0.000 0.304 75 S C -1.335 173.157 174.600 -0.180 0.000 1.095 75 S CA -4.452 53.605 58.200 -0.238 0.000 1.089 75 S CB 0.571 63.455 63.200 -0.527 0.000 0.968 75 S HN 0.546 8.737 8.310 -0.198 0.000 0.480 76 P HA -0.200 nan 4.420 nan 0.000 0.216 76 P C 0.088 177.332 177.300 -0.093 0.000 1.150 76 P CA 2.446 65.492 63.100 -0.091 0.000 0.837 76 P CB 0.047 31.703 31.700 -0.074 0.000 0.786 77 A N -3.359 119.400 122.820 -0.103 0.000 1.858 77 A HA -0.249 nan 4.320 nan 0.000 0.216 77 A C 1.673 179.202 177.584 -0.092 0.000 1.190 77 A CA 2.981 54.967 52.037 -0.086 0.000 0.617 77 A CB -1.031 17.921 19.000 -0.081 0.000 0.827 77 A HN 0.023 8.092 8.150 -0.112 0.014 0.443 78 A N -1.216 121.512 122.820 -0.154 0.000 1.883 78 A HA -0.289 nan 4.320 nan 0.000 0.217 78 A C 1.839 179.384 177.584 -0.066 0.000 1.186 78 A CA 2.797 54.755 52.037 -0.131 0.000 0.624 78 A CB -0.748 18.067 19.000 -0.309 0.000 0.822 78 A HN -0.716 7.301 8.150 -0.222 0.000 0.444 79 L N -0.968 120.207 121.223 -0.081 0.000 1.970 79 L HA -0.364 nan 4.340 nan 0.000 0.212 79 L C 1.919 178.770 176.870 -0.033 0.000 1.071 79 L CA 3.283 58.097 54.840 -0.044 0.000 0.751 79 L CB -0.233 41.797 42.059 -0.050 0.000 0.889 79 L HN -0.133 8.024 8.230 -0.121 0.000 0.432 80 M N -2.686 116.889 119.600 -0.042 0.000 2.106 80 M HA -0.478 nan 4.480 nan 0.000 0.259 80 M C 2.409 178.696 176.300 -0.021 0.000 1.068 80 M CA 2.620 57.900 55.300 -0.034 0.000 1.100 80 M CB -1.567 31.009 32.600 -0.040 0.000 1.351 80 M HN 0.013 8.270 8.290 -0.055 0.000 0.404 81 K N -0.243 120.147 120.400 -0.017 0.000 2.026 81 K HA -0.399 nan 4.320 nan 0.000 0.208 81 K C 1.987 178.592 176.600 0.007 0.000 1.048 81 K CA 3.733 60.020 56.287 -0.001 0.000 0.929 81 K CB -0.215 32.291 32.500 0.009 0.000 0.713 81 K HN -0.021 8.206 8.250 -0.026 0.008 0.439 82 E N -0.890 119.316 120.200 0.011 0.000 2.072 82 E HA -0.305 nan 4.350 nan 0.000 0.191 82 E C 2.717 179.317 176.600 0.000 0.000 0.985 82 E CA 2.868 59.276 56.400 0.013 0.000 0.801 82 E CB -0.079 29.636 29.700 0.024 0.000 0.750 82 E HN -0.460 7.905 8.360 0.008 0.000 0.452 83 M N -0.409 119.188 119.600 -0.006 0.000 2.065 83 M HA -0.439 nan 4.480 nan 0.000 0.259 83 M C 1.805 178.100 176.300 -0.010 0.000 1.069 83 M CA 4.453 59.747 55.300 -0.010 0.000 1.110 83 M CB -0.163 32.428 32.600 -0.015 0.000 1.328 83 M HN 0.375 8.660 8.290 -0.008 0.000 0.405 84 K N -0.680 119.714 120.400 -0.010 0.000 2.009 84 K HA -0.445 nan 4.320 nan 0.000 0.210 84 K C 1.735 178.332 176.600 -0.006 0.000 1.049 84 K CA 3.859 60.141 56.287 -0.009 0.000 0.929 84 K CB -0.289 32.206 32.500 -0.009 0.000 0.714 84 K HN -0.277 7.966 8.250 -0.011 0.000 0.440 85 E N -0.645 119.554 120.200 -0.002 0.000 2.070 85 E HA -0.347 nan 4.350 nan 0.000 0.197 85 E C 2.375 178.973 176.600 -0.004 0.000 1.004 85 E CA 3.215 59.615 56.400 -0.000 0.000 0.805 85 E CB -0.148 29.555 29.700 0.005 0.000 0.744 85 E HN -0.505 7.855 8.360 -0.000 0.000 0.451 86 L N -1.415 119.804 121.223 -0.006 0.000 1.994 86 L HA -0.447 nan 4.340 nan 0.000 0.208 86 L C 2.416 179.280 176.870 -0.010 0.000 1.071 86 L CA 3.332 58.166 54.840 -0.010 0.000 0.745 86 L CB -0.090 41.961 42.059 -0.013 0.000 0.892 86 L HN -0.104 8.122 8.230 -0.005 0.000 0.431 87 E N -0.506 119.688 120.200 -0.010 0.000 2.070 87 E HA -0.479 nan 4.350 nan 0.000 0.197 87 E C 2.718 179.313 176.600 -0.008 0.000 1.004 87 E CA 3.384 59.778 56.400 -0.010 0.000 0.805 87 E CB -0.334 29.360 29.700 -0.010 0.000 0.744 87 E HN 0.467 8.709 8.360 -0.010 0.112 0.451 88 D N 0.323 120.719 120.400 -0.007 0.000 2.127 88 D HA -0.247 nan 4.640 nan 0.000 0.190 88 D C 2.120 178.417 176.300 -0.005 0.000 1.000 88 D CA 2.793 56.790 54.000 -0.005 0.000 0.839 88 D CB -0.339 40.460 40.800 -0.003 0.000 0.955 88 D HN 0.331 8.582 8.370 -0.006 0.115 0.446 89 R N -3.279 117.218 120.500 -0.005 0.000 2.343 89 R HA -0.065 nan 4.340 nan 0.000 0.202 89 R C 0.831 177.128 176.300 -0.006 0.000 1.023 89 R CA -0.098 56.000 56.100 -0.005 0.000 1.084 89 R CB -0.470 29.828 30.300 -0.004 0.000 0.956 89 R HN -0.439 7.762 8.270 -0.005 0.065 0.478 90 G N -1.778 107.018 108.800 -0.007 0.000 2.143 90 G HA2 -0.396 nan 3.960 nan 0.000 0.249 90 G HA3 -0.396 nan 3.960 nan 0.000 0.249 90 G C -0.247 174.646 174.900 -0.011 0.000 0.981 90 G CA 0.449 45.544 45.100 -0.009 0.000 0.665 90 G HN 0.381 8.436 8.290 -0.007 0.231 0.528 91 I N 2.063 122.626 120.570 -0.012 0.000 2.291 91 I HA 0.297 nan 4.170 nan 0.000 0.290 91 I C -1.402 174.706 176.117 -0.015 0.000 1.050 91 I CA -4.263 57.028 61.300 -0.015 0.000 1.245 91 I CB 0.176 38.165 38.000 -0.017 0.000 1.405 91 I HN -0.287 7.916 8.210 -0.011 0.000 0.478 92 P HA 0.063 nan 4.420 nan 0.000 0.245 92 P C 0.640 177.932 177.300 -0.014 0.000 1.670 92 P CA -0.038 63.054 63.100 -0.014 0.000 1.146 92 P CB -1.553 30.139 31.700 -0.014 0.000 1.954 93 V N 4.442 124.348 119.914 -0.013 0.000 2.282 93 V HA -0.508 nan 4.120 nan 0.000 0.249 93 V C 2.040 178.129 176.094 -0.009 0.000 1.057 93 V CA 4.366 66.659 62.300 -0.012 0.000 1.032 93 V CB -0.487 31.328 31.823 -0.012 0.000 0.645 93 V HN 0.563 8.699 8.190 -0.013 0.046 0.447 94 R N -1.652 118.842 120.500 -0.009 0.000 2.170 94 R HA -0.327 nan 4.340 nan 0.000 0.242 94 R C 1.335 177.633 176.300 -0.003 0.000 1.145 94 R CA 2.689 58.784 56.100 -0.007 0.000 0.984 94 R CB -0.527 29.767 30.300 -0.010 0.000 0.869 94 R HN 0.467 8.730 8.270 -0.011 0.000 0.455 95 E N -4.280 115.917 120.200 -0.005 0.000 2.474 95 E HA 0.077 nan 4.350 nan 0.000 0.195 95 E C 0.699 177.297 176.600 -0.003 0.000 1.039 95 E CA 0.324 56.723 56.400 -0.003 0.000 0.881 95 E CB 0.031 29.727 29.700 -0.006 0.000 0.970 95 E HN -0.621 7.713 8.360 -0.008 0.021 0.486 96 R N -2.709 117.788 120.500 -0.004 0.000 2.476 96 R HA 0.302 nan 4.340 nan 0.000 0.276 96 R C -1.645 174.659 176.300 0.007 0.000 0.941 96 R CA -0.003 56.093 56.100 -0.006 0.000 1.088 96 R CB 1.917 32.206 30.300 -0.019 0.000 1.216 96 R HN -0.024 8.070 8.270 -0.005 0.173 0.533 97 L N -0.964 120.266 121.223 0.013 0.000 2.346 97 L HA 0.652 nan 4.340 nan 0.000 0.276 97 L C -2.053 174.838 176.870 0.034 0.000 1.006 97 L CA -0.654 54.200 54.840 0.023 0.000 0.817 97 L CB 2.858 44.925 42.059 0.013 0.000 1.272 97 L HN -0.860 7.376 8.230 0.009 0.000 0.421 98 L N 3.802 125.054 121.223 0.049 0.000 2.323 98 L HA 0.729 nan 4.340 nan 0.000 0.265 98 L C -1.641 175.263 176.870 0.057 0.000 1.012 98 L CA -1.901 52.972 54.840 0.056 0.000 0.820 98 L CB 3.361 45.462 42.059 0.070 0.000 1.334 98 L HN 0.760 9.023 8.230 0.055 0.000 0.427 99 L N -1.995 119.264 121.223 0.059 0.000 2.350 99 L HA 0.707 nan 4.340 nan 0.000 0.260 99 L C -1.691 175.226 176.870 0.078 0.000 1.015 99 L CA -1.715 53.163 54.840 0.063 0.000 0.821 99 L CB 4.147 46.233 42.059 0.046 0.000 1.370 99 L HN 0.521 8.787 8.230 0.061 0.000 0.416 100 S N -0.630 115.120 115.700 0.083 0.000 2.610 100 S HA 0.191 nan 4.470 nan 0.000 0.273 100 S C 1.126 175.789 174.600 0.105 0.000 1.274 100 S CA -1.879 56.376 58.200 0.092 0.000 1.023 100 S CB 1.383 64.640 63.200 0.094 0.000 0.962 100 S HN -0.201 8.157 8.310 0.080 0.000 0.523 101 E N 5.174 125.447 120.200 0.121 0.000 2.358 101 E HA -0.109 nan 4.350 nan 0.000 0.195 101 E C 0.835 177.513 176.600 0.130 0.000 1.010 101 E CA 2.309 58.804 56.400 0.159 0.000 0.856 101 E CB -0.335 29.467 29.700 0.170 0.000 0.795 101 E HN 0.836 9.260 8.360 0.107 0.000 0.504 102 A N -1.429 121.454 122.820 0.105 0.000 2.307 102 A HA 0.166 nan 4.320 nan 0.000 0.218 102 A C -0.374 177.263 177.584 0.088 0.000 1.228 102 A CA -0.771 51.324 52.037 0.096 0.000 0.857 102 A CB -0.110 18.943 19.000 0.088 0.000 0.897 102 A HN -0.430 7.727 8.150 0.100 0.053 0.495 103 C N 1.920 121.268 119.300 0.081 0.000 2.648 103 C HA 0.032 nan 4.460 nan 0.000 0.415 103 C C -1.983 173.033 174.990 0.043 0.000 1.366 103 C CA -1.023 58.030 59.018 0.058 0.000 1.756 103 C CB -1.496 26.271 27.740 0.046 0.000 2.549 103 C HN -0.666 7.562 8.230 0.085 0.052 0.597 104 P HA 0.183 nan 4.420 nan 0.000 0.271 104 P C -1.729 175.554 177.300 -0.028 0.000 1.216 104 P CA 0.037 63.132 63.100 -0.008 0.000 0.776 104 P CB 0.237 31.888 31.700 -0.082 0.000 0.881 105 L N 1.805 123.046 121.223 0.031 0.000 2.292 105 L HA 0.368 nan 4.340 nan 0.000 0.284 105 L C -0.089 176.787 176.870 0.010 0.000 1.065 105 L CA -0.782 54.082 54.840 0.039 0.000 0.806 105 L CB 0.742 42.879 42.059 0.129 0.000 1.175 105 L HN 0.484 8.653 8.230 0.080 0.110 0.431 106 I N 4.049 124.590 120.570 -0.047 0.000 2.315 106 I HA 0.050 nan 4.170 nan 0.000 0.291 106 I C -1.201 174.934 176.117 0.029 0.000 1.006 106 I CA -0.128 61.156 61.300 -0.027 0.000 1.265 106 I CB 0.022 37.963 38.000 -0.098 0.000 1.387 106 I HN 0.764 8.823 8.210 -0.063 0.112 0.475 107 L N 4.741 125.982 121.223 0.029 0.000 2.271 107 L HA 0.292 nan 4.340 nan 0.000 0.265 107 L C 0.766 177.406 176.870 -0.384 0.000 1.013 107 L CA -1.953 52.726 54.840 -0.269 0.000 0.820 107 L CB 2.256 44.110 42.059 -0.342 0.000 1.352 107 L HN 0.355 8.916 8.230 0.552 0.000 0.443 108 D N 1.834 122.109 120.400 -0.208 0.000 2.191 108 D HA -0.396 nan 4.640 nan 0.000 0.195 108 D C 2.157 178.401 176.300 -0.094 0.000 1.003 108 D CA 4.637 58.580 54.000 -0.095 0.000 0.867 108 D CB -0.119 40.686 40.800 0.009 0.000 0.926 108 D HN 0.742 9.040 8.370 -0.120 0.000 0.450 109 Y N -5.659 114.577 120.300 -0.107 0.000 2.439 109 Y HA -0.161 nan 4.550 nan 0.000 0.292 109 Y C 2.007 177.783 175.900 -0.207 0.000 1.130 109 Y CA 1.782 59.794 58.100 -0.146 0.000 1.254 109 Y CB -1.439 36.944 38.460 -0.129 0.000 1.000 109 Y HN -0.192 7.856 8.280 -0.348 0.023 0.554 110 H N 1.272 120.139 119.070 -0.339 0.000 2.389 110 H HA -0.283 nan 4.556 nan 0.000 0.299 110 H C 2.420 177.670 175.328 -0.130 0.000 1.081 110 H CA 4.228 60.138 56.048 -0.231 0.000 1.345 110 H CB -0.011 29.586 29.762 -0.275 0.000 1.393 110 H HN -0.209 7.432 8.280 -0.831 0.140 0.520 111 V N -0.605 119.307 119.914 -0.004 0.000 2.261 111 V HA -0.474 nan 4.120 nan 0.000 0.246 111 V C 1.716 177.797 176.094 -0.022 0.000 1.047 111 V CA 4.448 66.745 62.300 -0.006 0.000 1.015 111 V CB -1.199 30.618 31.823 -0.009 0.000 0.642 111 V HN -0.613 7.544 8.190 -0.055 0.000 0.446 112 A N -0.662 122.147 122.820 -0.019 0.000 1.892 112 A HA -0.351 nan 4.320 nan 0.000 0.218 112 A C 1.723 179.265 177.584 -0.070 0.000 1.188 112 A CA 3.360 55.383 52.037 -0.023 0.000 0.631 112 A CB -0.817 18.191 19.000 0.014 0.000 0.822 112 A HN -0.363 7.778 8.150 -0.015 0.000 0.447 113 L N -1.827 119.353 121.223 -0.072 0.000 2.012 113 L HA -0.402 nan 4.340 nan 0.000 0.210 113 L C 1.918 178.684 176.870 -0.172 0.000 1.073 113 L CA 3.169 57.922 54.840 -0.146 0.000 0.748 113 L CB -0.568 41.444 42.059 -0.077 0.000 0.891 113 L HN -0.234 7.975 8.230 -0.035 0.000 0.431 114 D N -1.376 118.976 120.400 -0.081 0.000 2.123 114 D HA -0.358 nan 4.640 nan 0.000 0.196 114 D C 2.485 178.738 176.300 -0.079 0.000 0.992 114 D CA 3.423 57.388 54.000 -0.058 0.000 0.833 114 D CB -0.285 40.500 40.800 -0.026 0.000 0.954 114 D HN -0.138 8.205 8.370 -0.046 0.000 0.455 115 N N -0.412 118.241 118.700 -0.079 0.000 2.058 115 N HA -0.293 nan 4.740 nan 0.000 0.191 115 N C 2.159 177.606 175.510 -0.105 0.000 1.037 115 N CA 2.807 55.814 53.050 -0.070 0.000 0.848 115 N CB -0.393 38.064 38.487 -0.050 0.000 1.021 115 N HN -0.020 8.320 8.380 -0.067 0.000 0.422 116 A N 0.712 123.422 122.820 -0.183 0.000 1.917 116 A HA -0.378 nan 4.320 nan 0.000 0.219 116 A C 2.401 179.823 177.584 -0.270 0.000 1.182 116 A CA 3.244 55.115 52.037 -0.277 0.000 0.633 116 A CB -0.694 17.971 19.000 -0.559 0.000 0.819 116 A HN 0.707 8.635 8.150 -0.179 0.114 0.448 117 R N -2.597 117.729 120.500 -0.290 0.000 2.081 117 R HA -0.368 nan 4.340 nan 0.000 0.235 117 R C 2.473 178.775 176.300 0.004 0.000 1.131 117 R CA 3.192 59.245 56.100 -0.077 0.000 0.960 117 R CB -0.086 30.194 30.300 -0.034 0.000 0.856 117 R HN -0.057 8.011 8.270 -0.335 0.001 0.436 118 E N -0.693 119.492 120.200 -0.025 0.000 2.051 118 E HA -0.253 nan 4.350 nan 0.000 0.192 118 E C 2.002 178.605 176.600 0.006 0.000 0.991 118 E CA 2.975 59.372 56.400 -0.005 0.000 0.799 118 E CB -0.288 29.403 29.700 -0.016 0.000 0.748 118 E HN -0.517 7.733 8.360 -0.055 0.077 0.449 119 K N -1.214 119.183 120.400 -0.004 0.000 2.020 119 K HA -0.379 nan 4.320 nan 0.000 0.212 119 K C 1.788 178.406 176.600 0.030 0.000 1.050 119 K CA 2.915 59.206 56.287 0.007 0.000 0.929 119 K CB -0.157 32.343 32.500 0.001 0.000 0.714 119 K HN 0.073 8.308 8.250 -0.026 0.000 0.443 120 A N -4.048 118.809 122.820 0.062 0.000 2.131 120 A HA -0.165 nan 4.320 nan 0.000 0.220 120 A C 1.121 178.748 177.584 0.071 0.000 1.158 120 A CA 1.937 54.032 52.037 0.097 0.000 0.665 120 A CB -0.068 19.064 19.000 0.220 0.000 0.795 120 A HN -0.097 8.087 8.150 0.056 0.000 0.460 121 R N -4.317 116.216 120.500 0.055 0.000 2.194 121 R HA 0.218 nan 4.340 nan 0.000 0.194 121 R C 0.340 176.656 176.300 0.027 0.000 0.985 121 R CA 0.207 56.332 56.100 0.042 0.000 1.104 121 R CB 2.137 32.462 30.300 0.041 0.000 1.092 121 R HN -0.099 7.992 8.270 0.046 0.207 0.555 122 G N -1.513 107.300 108.800 0.021 0.000 2.433 122 G HA2 -0.048 nan 3.960 nan 0.000 0.306 122 G HA3 -0.048 nan 3.960 nan 0.000 0.306 122 G C -2.597 172.309 174.900 0.009 0.000 1.627 122 G CA 0.729 45.838 45.100 0.014 0.000 0.893 122 G HN -0.035 8.156 8.290 0.021 0.111 0.648 123 A N 2.086 124.910 122.820 0.007 0.000 2.366 123 A HA 0.209 nan 4.320 nan 0.000 0.322 123 A C -0.317 177.269 177.584 0.004 0.000 1.397 123 A CA -0.255 51.784 52.037 0.004 0.000 0.984 123 A CB -0.119 18.883 19.000 0.002 0.000 1.149 123 A HN 0.355 8.510 8.150 0.007 0.000 0.540 124 K N 2.204 122.606 120.400 0.003 0.000 3.564 124 K HA 0.006 nan 4.320 nan 0.000 0.157 124 K C -1.988 174.613 176.600 0.002 0.000 1.017 124 K CA 0.522 56.811 56.287 0.003 0.000 0.802 124 K CB 0.543 33.046 32.500 0.006 0.000 0.764 124 K HN 0.352 8.604 8.250 0.002 0.000 0.460 125 A N 0.206 123.026 122.820 -0.001 0.000 2.509 125 A HA 0.326 nan 4.320 nan 0.000 0.282 125 A C -0.880 176.700 177.584 -0.006 0.000 1.054 125 A CA -0.093 51.942 52.037 -0.003 0.000 0.820 125 A CB 1.461 20.458 19.000 -0.004 0.000 1.333 125 A HN -0.457 7.692 8.150 -0.001 0.000 0.409 126 I N 5.657 126.224 120.570 -0.006 0.000 2.532 126 I HA -0.036 nan 4.170 nan 0.000 0.302 126 I C -0.446 175.663 176.117 -0.014 0.000 1.176 126 I CA -0.921 60.374 61.300 -0.007 0.000 1.975 126 I CB 0.030 38.028 38.000 -0.004 0.000 1.536 126 I HN 0.426 8.634 8.210 -0.004 0.000 0.919 127 G N 4.215 113.004 108.800 -0.017 0.000 2.239 127 G HA2 -0.187 nan 3.960 nan 0.000 0.278 127 G HA3 -0.187 nan 3.960 nan 0.000 0.278 127 G C -0.620 174.263 174.900 -0.027 0.000 1.071 127 G CA 0.800 45.885 45.100 -0.025 0.000 1.198 127 G HN -0.055 8.177 8.290 -0.014 0.050 0.410 128 T N 0.153 114.683 114.554 -0.040 0.000 3.105 128 T HA 0.026 nan 4.350 nan 0.000 0.257 128 T C 0.341 174.992 174.700 -0.083 0.000 0.949 128 T CA 0.084 62.159 62.100 -0.041 0.000 0.959 128 T CB 1.164 70.014 68.868 -0.029 0.000 1.205 128 T HN -0.276 7.935 8.240 -0.048 0.000 0.496 129 T N 5.005 119.479 114.554 -0.134 0.000 2.771 129 T HA 0.272 nan 4.350 nan 0.000 0.281 129 T C 0.858 175.379 174.700 -0.298 0.000 0.982 129 T CA -0.066 61.881 62.100 -0.255 0.000 0.978 129 T CB 0.441 69.141 68.868 -0.281 0.000 0.930 129 T HN -0.141 8.036 8.240 -0.105 0.000 0.447 130 G N 6.104 114.579 108.800 -0.542 0.000 2.148 130 G HA2 -0.401 nan 3.960 nan 0.000 0.254 130 G HA3 -0.401 nan 3.960 nan 0.000 0.254 130 G C -0.540 174.208 174.900 -0.254 0.000 0.981 130 G CA 0.121 44.903 45.100 -0.529 0.000 0.670 130 G HN 0.399 8.238 8.290 -0.751 0.000 0.528 131 R N 0.592 121.005 120.500 -0.144 0.000 2.522 131 R HA -0.367 nan 4.340 nan 0.000 0.284 131 R C 0.584 176.898 176.300 0.024 0.000 1.032 131 R CA 0.347 56.426 56.100 -0.035 0.000 1.049 131 R CB -0.667 29.628 30.300 -0.007 0.000 0.956 131 R HN -0.408 7.713 8.270 -0.162 0.051 0.422 132 G N 3.179 111.983 108.800 0.006 0.000 2.241 132 G HA2 -0.412 nan 3.960 nan 0.000 0.244 132 G HA3 -0.412 nan 3.960 nan 0.000 0.244 132 G C 0.711 175.576 174.900 -0.058 0.000 0.998 132 G CA 0.716 45.823 45.100 0.012 0.000 0.621 132 G HN 0.831 9.573 8.290 -0.008 -0.457 0.519 133 I N 2.840 123.384 120.570 -0.043 0.000 2.127 133 I HA -0.553 nan 4.170 nan 0.000 0.241 133 I C 1.082 177.157 176.117 -0.070 0.000 1.075 133 I CA 4.195 65.439 61.300 -0.094 0.000 1.334 133 I CB -0.410 37.568 38.000 -0.036 0.000 1.040 133 I HN -0.680 7.437 8.210 -0.025 0.078 0.405 134 G N -1.217 107.605 108.800 0.036 0.000 2.459 134 G HA2 -0.210 nan 3.960 nan 0.000 0.217 134 G HA3 -0.210 nan 3.960 nan 0.000 0.217 134 G C -1.820 173.122 174.900 0.069 0.000 1.183 134 G CA 2.928 48.095 45.100 0.112 0.000 0.776 134 G HN 0.529 8.832 8.290 0.022 0.000 0.552 135 P HA -0.207 nan 4.420 nan 0.000 0.219 135 P C 0.764 178.002 177.300 -0.103 0.000 1.146 135 P CA 2.157 65.280 63.100 0.037 0.000 0.808 135 P CB -0.501 31.254 31.700 0.091 0.000 0.779 136 A N -1.975 120.595 122.820 -0.417 0.000 1.898 136 A HA -0.223 nan 4.320 nan 0.000 0.216 136 A C 2.075 179.510 177.584 -0.249 0.000 1.181 136 A CA 3.027 54.683 52.037 -0.636 0.000 0.620 136 A CB -0.734 17.854 19.000 -0.687 0.000 0.819 136 A HN -0.316 7.599 8.150 -0.365 0.016 0.442 137 Y N -2.003 118.244 120.300 -0.088 0.000 2.224 137 Y HA -0.446 nan 4.550 nan 0.000 0.289 137 Y C 2.379 178.286 175.900 0.011 0.000 1.146 137 Y CA 2.849 60.936 58.100 -0.022 0.000 1.182 137 Y CB -0.632 37.823 38.460 -0.008 0.000 0.983 137 Y HN -0.378 7.795 8.280 -0.178 0.000 0.524 138 E N -0.488 119.821 120.200 0.182 0.000 2.023 138 E HA -0.473 nan 4.350 nan 0.000 0.196 138 E C 2.446 179.135 176.600 0.150 0.000 1.003 138 E CA 3.432 59.926 56.400 0.158 0.000 0.809 138 E CB -0.346 29.457 29.700 0.173 0.000 0.755 138 E HN -0.448 7.933 8.360 0.162 0.077 0.449 139 D N -0.943 119.563 120.400 0.177 0.000 2.158 139 D HA -0.289 nan 4.640 nan 0.000 0.197 139 D C 2.163 178.533 176.300 0.117 0.000 0.995 139 D CA 3.127 57.241 54.000 0.189 0.000 0.846 139 D CB -0.545 40.451 40.800 0.327 0.000 0.941 139 D HN -0.332 8.144 8.370 0.176 0.000 0.456 140 K N -0.100 120.364 120.400 0.106 0.000 2.002 140 K HA -0.238 nan 4.320 nan 0.000 0.209 140 K C 2.909 179.563 176.600 0.090 0.000 1.048 140 K CA 3.158 59.504 56.287 0.098 0.000 0.930 140 K CB 0.281 32.852 32.500 0.117 0.000 0.714 140 K HN -0.488 7.816 8.250 0.096 0.003 0.438 141 V N -5.276 114.698 119.914 0.101 0.000 2.594 141 V HA -0.157 nan 4.120 nan 0.000 0.253 141 V C 1.162 177.283 176.094 0.045 0.000 1.069 141 V CA 2.329 64.671 62.300 0.070 0.000 1.082 141 V CB -0.868 30.995 31.823 0.066 0.000 0.680 141 V HN -0.136 8.131 8.190 0.128 0.000 0.469 142 A N -2.837 120.009 122.820 0.043 0.000 2.238 142 A HA 0.018 nan 4.320 nan 0.000 0.208 142 A C -0.084 177.494 177.584 -0.010 0.000 1.177 142 A CA -0.047 51.994 52.037 0.006 0.000 0.804 142 A CB 0.174 19.168 19.000 -0.011 0.000 0.823 142 A HN -0.108 7.998 8.150 0.066 0.083 0.482 143 R N -4.924 115.585 120.500 0.015 0.000 3.770 143 R HA -0.320 nan 4.340 nan 0.000 0.305 143 R C 0.449 176.745 176.300 -0.007 0.000 1.184 143 R CA 1.470 57.576 56.100 0.011 0.000 0.823 143 R CB -2.281 28.019 30.300 0.001 0.000 1.285 143 R HN -0.222 7.855 8.270 0.036 0.215 0.499 144 R N -3.780 116.715 120.500 -0.009 0.000 2.543 144 R HA 0.271 nan 4.340 nan 0.000 0.323 144 R C -0.490 175.832 176.300 0.038 0.000 1.002 144 R CA -0.495 55.583 56.100 -0.036 0.000 1.106 144 R CB 0.275 30.488 30.300 -0.144 0.000 1.280 144 R HN 0.048 8.306 8.270 0.015 0.022 0.549 145 G N -1.008 107.844 108.800 0.087 0.000 2.537 145 G HA2 0.317 nan 3.960 nan 0.000 0.297 145 G HA3 0.317 nan 3.960 nan 0.000 0.297 145 G C -2.124 172.850 174.900 0.124 0.000 1.310 145 G CA -1.232 43.960 45.100 0.153 0.000 1.027 145 G HN -0.751 7.521 8.290 0.070 0.060 0.505 146 L N -1.618 119.704 121.223 0.166 0.000 2.334 146 L HA 0.682 nan 4.340 nan 0.000 0.276 146 L C -0.726 176.245 176.870 0.167 0.000 1.014 146 L CA -1.201 53.738 54.840 0.165 0.000 0.815 146 L CB 1.925 44.107 42.059 0.204 0.000 1.268 146 L HN 0.177 8.536 8.230 0.214 0.000 0.428 147 R N 0.342 120.946 120.500 0.173 0.000 2.854 147 R HA 0.610 nan 4.340 nan 0.000 0.271 147 R C 1.491 177.887 176.300 0.161 0.000 0.996 147 R CA -1.517 54.669 56.100 0.144 0.000 0.961 147 R CB 2.377 32.754 30.300 0.127 0.000 1.182 147 R HN 0.781 9.623 8.270 0.189 -0.459 0.479 148 V N 2.140 122.122 119.914 0.114 0.000 2.324 148 V HA -0.433 nan 4.120 nan 0.000 0.250 148 V C 1.809 177.974 176.094 0.118 0.000 1.060 148 V CA 5.053 67.397 62.300 0.073 0.000 1.042 148 V CB -0.793 31.061 31.823 0.052 0.000 0.650 148 V HN 0.470 8.718 8.190 0.098 0.000 0.450 149 G N -1.955 106.978 108.800 0.221 0.000 2.475 149 G HA2 -0.404 nan 3.960 nan 0.000 0.220 149 G HA3 -0.404 nan 3.960 nan 0.000 0.220 149 G C 1.029 176.168 174.900 0.397 0.000 1.125 149 G CA 2.231 47.563 45.100 0.387 0.000 0.755 149 G HN 0.678 8.985 8.290 0.186 0.095 0.565 150 D N 2.418 122.983 120.400 0.276 0.000 2.310 150 D HA -0.141 nan 4.640 nan 0.000 0.212 150 D C 2.086 178.557 176.300 0.285 0.000 0.965 150 D CA 2.613 56.802 54.000 0.316 0.000 0.879 150 D CB -0.263 40.765 40.800 0.381 0.000 0.921 150 D HN 0.167 8.525 8.370 0.238 0.156 0.510 151 L N -1.737 119.515 121.223 0.048 0.000 2.610 151 L HA -0.243 nan 4.340 nan 0.000 0.232 151 L C 0.700 177.420 176.870 -0.250 0.000 1.149 151 L CA 1.327 56.017 54.840 -0.250 0.000 0.872 151 L CB -0.479 41.336 42.059 -0.407 0.000 0.992 151 L HN 0.005 8.090 8.230 0.041 0.169 0.447 152 F N -2.812 117.143 119.950 0.007 0.000 2.128 152 F HA -0.231 nan 4.527 nan 0.000 0.295 152 F C 0.641 176.454 175.800 0.023 0.000 1.100 152 F CA 2.446 60.452 58.000 0.010 0.000 1.260 152 F CB 0.509 39.523 39.000 0.024 0.000 1.009 152 F HN -0.904 7.448 8.300 0.210 0.074 0.476 153 D N -1.625 118.915 120.400 0.233 0.000 2.467 153 D HA 0.146 nan 4.640 nan 0.000 0.220 153 D C 0.283 176.681 176.300 0.163 0.000 1.103 153 D CA -1.746 52.356 54.000 0.170 0.000 0.886 153 D CB -0.192 40.706 40.800 0.163 0.000 1.025 153 D HN -0.596 7.938 8.370 0.274 0.000 0.514 154 K N 6.032 126.498 120.400 0.110 0.000 2.020 154 K HA -0.411 nan 4.320 nan 0.000 0.212 154 K C 1.524 178.228 176.600 0.172 0.000 1.050 154 K CA 3.201 59.555 56.287 0.111 0.000 0.929 154 K CB -0.105 32.426 32.500 0.051 0.000 0.714 154 K HN 0.284 8.585 8.250 0.086 0.000 0.443 155 E N -1.749 118.528 120.200 0.128 0.000 2.035 155 E HA -0.381 nan 4.350 nan 0.000 0.204 155 E C 2.083 178.765 176.600 0.137 0.000 1.025 155 E CA 3.235 59.706 56.400 0.118 0.000 0.835 155 E CB -0.255 29.496 29.700 0.086 0.000 0.764 155 E HN 0.112 8.534 8.360 0.104 0.000 0.457 156 T N 2.126 116.759 114.554 0.132 0.000 2.699 156 T HA -0.323 nan 4.350 nan 0.000 0.268 156 T C 1.794 176.575 174.700 0.136 0.000 1.036 156 T CA 4.021 66.192 62.100 0.118 0.000 1.147 156 T CB -0.598 68.340 68.868 0.116 0.000 0.862 156 T HN -0.632 7.853 8.240 0.123 -0.171 0.446 157 F N 2.026 122.020 119.950 0.072 0.000 2.065 157 F HA -0.540 nan 4.527 nan 0.000 0.298 157 F C 0.486 176.347 175.800 0.102 0.000 1.112 157 F CA 3.509 61.556 58.000 0.079 0.000 1.212 157 F CB -0.070 38.965 39.000 0.058 0.000 0.975 157 F HN -0.233 8.267 8.300 0.334 0.000 0.476 158 A N -2.297 120.674 122.820 0.251 0.000 1.917 158 A HA -0.434 nan 4.320 nan 0.000 0.219 158 A C 2.229 179.907 177.584 0.156 0.000 1.182 158 A CA 3.465 55.642 52.037 0.234 0.000 0.633 158 A CB -1.221 17.934 19.000 0.258 0.000 0.819 158 A HN 0.010 8.371 8.150 0.351 0.000 0.448 159 E N -1.356 118.888 120.200 0.074 0.000 2.072 159 E HA -0.253 nan 4.350 nan 0.000 0.191 159 E C 2.230 178.804 176.600 -0.043 0.000 0.985 159 E CA 2.502 58.909 56.400 0.013 0.000 0.801 159 E CB -0.351 29.356 29.700 0.011 0.000 0.750 159 E HN -0.496 7.918 8.360 0.090 0.000 0.452 160 K N -0.115 120.238 120.400 -0.078 0.000 2.032 160 K HA -0.338 nan 4.320 nan 0.000 0.209 160 K C 2.601 179.105 176.600 -0.161 0.000 1.048 160 K CA 3.431 59.642 56.287 -0.126 0.000 0.927 160 K CB -0.074 32.333 32.500 -0.156 0.000 0.712 160 K HN -0.237 7.978 8.250 -0.058 0.000 0.441 161 L N -0.968 120.113 121.223 -0.236 0.000 2.083 161 L HA -0.326 nan 4.340 nan 0.000 0.209 161 L C 0.989 177.884 176.870 0.042 0.000 1.083 161 L CA 3.097 57.864 54.840 -0.123 0.000 0.752 161 L CB -0.326 41.641 42.059 -0.153 0.000 0.899 161 L HN 0.465 8.377 8.230 -0.350 0.108 0.433 162 K N -0.953 119.469 120.400 0.037 0.000 2.057 162 K HA -0.447 nan 4.320 nan 0.000 0.207 162 K C 2.175 178.659 176.600 -0.194 0.000 1.049 162 K CA 3.723 59.849 56.287 -0.269 0.000 0.931 162 K CB -0.277 31.971 32.500 -0.419 0.000 0.714 162 K HN -0.315 7.918 8.250 0.083 0.067 0.440 163 E N -0.814 119.305 120.200 -0.135 0.000 2.051 163 E HA -0.333 nan 4.350 nan 0.000 0.192 163 E C 2.340 178.870 176.600 -0.116 0.000 0.991 163 E CA 3.051 59.382 56.400 -0.115 0.000 0.799 163 E CB -0.036 29.605 29.700 -0.098 0.000 0.748 163 E HN -0.307 7.983 8.360 -0.116 0.000 0.449 164 V N 0.904 120.737 119.914 -0.135 0.000 2.548 164 V HA -0.292 nan 4.120 nan 0.000 0.249 164 V C 1.544 177.490 176.094 -0.247 0.000 1.055 164 V CA 3.672 65.865 62.300 -0.177 0.000 1.065 164 V CB -0.452 31.306 31.823 -0.108 0.000 0.681 164 V HN -0.382 7.735 8.190 -0.122 0.000 0.462 165 M N -1.016 118.422 119.600 -0.270 0.000 2.229 165 M HA -0.448 nan 4.480 nan 0.000 0.264 165 M C 1.800 178.027 176.300 -0.121 0.000 1.063 165 M CA 4.458 59.580 55.300 -0.297 0.000 1.114 165 M CB -0.421 32.081 32.600 -0.164 0.000 1.387 165 M HN 0.316 8.482 8.290 -0.206 0.000 0.420 166 E N 0.609 120.751 120.200 -0.097 0.000 2.058 166 E HA -0.409 nan 4.350 nan 0.000 0.194 166 E C 2.113 178.720 176.600 0.012 0.000 0.997 166 E CA 3.293 59.667 56.400 -0.043 0.000 0.801 166 E CB -0.061 29.601 29.700 -0.063 0.000 0.746 166 E HN -0.467 7.807 8.360 -0.127 0.010 0.450 167 Y N -0.149 120.063 120.300 -0.147 0.000 2.114 167 Y HA -0.466 nan 4.550 nan 0.000 0.284 167 Y C 2.427 178.289 175.900 -0.063 0.000 1.143 167 Y CA 3.823 61.824 58.100 -0.165 0.000 1.135 167 Y CB 0.118 38.391 38.460 -0.312 0.000 0.980 167 Y HN -0.654 7.642 8.280 0.027 0.000 0.499 168 H N -2.408 116.669 119.070 0.012 0.000 2.357 168 H HA -0.300 nan 4.556 nan 0.000 0.301 168 H C 2.842 178.174 175.328 0.008 0.000 1.082 168 H CA 3.393 59.434 56.048 -0.011 0.000 1.342 168 H CB -0.298 29.488 29.762 0.041 0.000 1.389 168 H HN -0.113 8.095 8.280 -0.120 0.000 0.511 169 N N -0.280 118.490 118.700 0.116 0.000 2.166 169 N HA -0.321 nan 4.740 nan 0.000 0.186 169 N C 1.906 177.468 175.510 0.086 0.000 1.019 169 N CA 3.362 56.466 53.050 0.090 0.000 0.856 169 N CB -0.473 38.046 38.487 0.052 0.000 0.993 169 N HN 0.057 8.479 8.380 0.069 0.000 0.426 170 F N 1.312 121.225 119.950 -0.062 0.000 2.095 170 F HA -0.451 nan 4.527 nan 0.000 0.298 170 F C 1.469 177.249 175.800 -0.034 0.000 1.104 170 F CA 4.023 61.979 58.000 -0.073 0.000 1.232 170 F CB 0.108 39.022 39.000 -0.143 0.000 0.987 170 F HN -0.524 7.876 8.300 0.166 0.000 0.475 171 Q N -1.006 118.934 119.800 0.233 0.000 1.993 171 Q HA -0.427 nan 4.340 nan 0.000 0.202 171 Q C 2.430 178.624 176.000 0.323 0.000 0.984 171 Q CA 3.305 59.270 55.803 0.270 0.000 0.837 171 Q CB -0.035 28.885 28.738 0.304 0.000 0.902 171 Q HN -0.751 7.529 8.270 0.150 0.081 0.423 172 L N -1.419 119.984 121.223 0.300 0.000 1.991 172 L HA -0.482 nan 4.340 nan 0.000 0.221 172 L C 2.323 179.285 176.870 0.153 0.000 1.079 172 L CA 3.252 58.245 54.840 0.255 0.000 0.778 172 L CB -0.389 41.754 42.059 0.139 0.000 0.893 172 L HN 0.275 8.655 8.230 0.250 0.000 0.437 173 V N -5.628 114.305 119.914 0.032 0.000 2.331 173 V HA -0.239 nan 4.120 nan 0.000 0.242 173 V C 1.605 177.624 176.094 -0.126 0.000 1.034 173 V CA 3.672 65.943 62.300 -0.048 0.000 1.027 173 V CB -0.560 31.216 31.823 -0.078 0.000 0.667 173 V HN 0.363 8.564 8.190 0.019 0.000 0.457 174 N N -0.637 117.904 118.700 -0.264 0.000 2.171 174 N HA -0.163 nan 4.740 nan 0.000 0.184 174 N C 1.882 177.295 175.510 -0.163 0.000 1.021 174 N CA 2.844 55.699 53.050 -0.325 0.000 0.854 174 N CB 0.098 38.131 38.487 -0.757 0.000 0.994 174 N HN -0.117 8.065 8.380 -0.330 0.000 0.426 175 Y N 1.789 121.968 120.300 -0.202 0.000 2.177 175 Y HA -0.271 nan 4.550 nan 0.000 0.291 175 Y C 1.920 177.651 175.900 -0.281 0.000 1.117 175 Y CA 3.752 61.704 58.100 -0.246 0.000 1.114 175 Y CB 0.912 39.178 38.460 -0.324 0.000 1.017 175 Y HN -0.454 7.829 8.280 0.005 0.000 0.505 176 Y N -4.918 115.318 120.300 -0.107 0.000 2.519 176 Y HA -0.246 nan 4.550 nan 0.000 0.287 176 Y C -0.419 175.404 175.900 -0.129 0.000 1.128 176 Y CA 2.283 60.295 58.100 -0.147 0.000 1.282 176 Y CB 0.203 38.672 38.460 0.015 0.000 1.027 176 Y HN -0.110 8.228 8.280 0.096 0.000 0.551 177 K N -6.611 113.791 120.400 0.003 0.000 3.129 177 K HA -0.380 nan 4.320 nan 0.000 0.273 177 K C -0.841 175.767 176.600 0.014 0.000 1.123 177 K CA 0.749 57.021 56.287 -0.025 0.000 0.800 177 K CB -2.449 30.013 32.500 -0.063 0.000 1.238 177 K HN -0.369 7.769 8.250 -0.003 0.111 0.492 178 A N -1.945 120.908 122.820 0.055 0.000 2.326 178 A HA 0.221 nan 4.320 nan 0.000 0.303 178 A C -1.835 175.765 177.584 0.027 0.000 1.164 178 A CA -0.929 51.132 52.037 0.041 0.000 0.929 178 A CB 1.378 20.408 19.000 0.050 0.000 1.363 178 A HN 0.145 8.224 8.150 0.098 0.131 0.498 179 E N -1.744 118.469 120.200 0.022 0.000 2.343 179 E HA -0.037 nan 4.350 nan 0.000 0.269 179 E C -1.475 175.144 176.600 0.032 0.000 1.047 179 E CA -0.340 56.072 56.400 0.020 0.000 0.874 179 E CB 0.673 30.383 29.700 0.016 0.000 1.033 179 E HN -0.049 8.323 8.360 0.019 0.000 0.409 180 A N 0.669 123.507 122.820 0.031 0.000 2.302 180 A HA 0.123 nan 4.320 nan 0.000 0.285 180 A C -0.398 177.220 177.584 0.056 0.000 1.105 180 A CA -0.506 51.558 52.037 0.045 0.000 0.816 180 A CB 1.270 20.290 19.000 0.035 0.000 1.067 180 A HN -0.089 8.074 8.150 0.022 0.000 0.489 181 V N 1.273 121.234 119.914 0.078 0.000 2.481 181 V HA -0.029 nan 4.120 nan 0.000 0.286 181 V C -0.558 175.596 176.094 0.101 0.000 1.042 181 V CA -0.154 62.203 62.300 0.094 0.000 0.928 181 V CB 0.920 32.829 31.823 0.144 0.000 0.986 181 V HN 0.298 8.925 8.190 0.083 -0.387 0.462 182 D N 5.386 125.841 120.400 0.092 0.000 2.390 182 D HA -0.016 nan 4.640 nan 0.000 0.249 182 D C 0.163 176.548 176.300 0.142 0.000 1.144 182 D CA 0.051 54.115 54.000 0.105 0.000 0.880 182 D CB 2.002 42.847 40.800 0.074 0.000 1.182 182 D HN -0.109 8.307 8.370 0.077 0.000 0.451 183 Y N 6.654 126.976 120.300 0.036 0.000 2.070 183 Y HA -0.409 nan 4.550 nan 0.000 0.279 183 Y C 1.398 177.332 175.900 0.056 0.000 1.134 183 Y CA 3.980 62.104 58.100 0.040 0.000 1.113 183 Y CB 0.365 38.835 38.460 0.017 0.000 0.981 183 Y HN 0.513 8.948 8.280 0.258 0.000 0.487 184 Q N -2.555 117.244 119.800 -0.002 0.000 2.133 184 Q HA -0.454 nan 4.340 nan 0.000 0.208 184 Q C 2.343 178.284 176.000 -0.099 0.000 0.991 184 Q CA 3.005 58.747 55.803 -0.101 0.000 0.867 184 Q CB -0.667 28.090 28.738 0.032 0.000 0.911 184 Q HN 0.283 8.688 8.270 0.224 0.000 0.417 185 K N 0.018 120.399 120.400 -0.031 0.000 1.991 185 K HA -0.316 nan 4.320 nan 0.000 0.212 185 K C 2.061 178.640 176.600 -0.035 0.000 1.049 185 K CA 3.505 59.781 56.287 -0.019 0.000 0.932 185 K CB -0.193 32.314 32.500 0.011 0.000 0.717 185 K HN -0.626 7.862 8.250 0.010 -0.232 0.441 186 V N 0.218 120.120 119.914 -0.020 0.000 2.332 186 V HA -0.370 nan 4.120 nan 0.000 0.248 186 V C 2.478 178.559 176.094 -0.022 0.000 1.055 186 V CA 4.088 66.395 62.300 0.011 0.000 1.038 186 V CB -0.929 30.958 31.823 0.107 0.000 0.651 186 V HN -0.561 7.630 8.190 0.001 0.000 0.450 187 L N -0.669 120.456 121.223 -0.164 0.000 2.012 187 L HA -0.429 nan 4.340 nan 0.000 0.210 187 L C 1.668 178.493 176.870 -0.075 0.000 1.073 187 L CA 3.552 58.304 54.840 -0.148 0.000 0.748 187 L CB -0.616 41.168 42.059 -0.459 0.000 0.891 187 L HN 0.376 8.433 8.230 -0.288 0.000 0.431 188 D N -0.912 119.433 120.400 -0.091 0.000 2.097 188 D HA -0.314 nan 4.640 nan 0.000 0.197 188 D C 2.419 178.688 176.300 -0.052 0.000 0.984 188 D CA 3.567 57.531 54.000 -0.060 0.000 0.826 188 D CB -0.753 40.019 40.800 -0.048 0.000 0.973 188 D HN 0.025 8.323 8.370 -0.119 0.000 0.460 189 D N -0.281 120.095 120.400 -0.041 0.000 2.133 189 D HA -0.241 nan 4.640 nan 0.000 0.195 189 D C 2.597 178.866 176.300 -0.051 0.000 0.997 189 D CA 3.265 57.243 54.000 -0.037 0.000 0.840 189 D CB -0.040 40.746 40.800 -0.023 0.000 0.947 189 D HN 0.506 8.738 8.370 -0.039 0.114 0.452 190 T N 0.704 115.229 114.554 -0.047 0.000 2.995 190 T HA -0.070 nan 4.350 nan 0.000 0.269 190 T C 1.706 176.301 174.700 -0.174 0.000 1.091 190 T CA 3.190 65.235 62.100 -0.091 0.000 1.128 190 T CB -0.238 68.616 68.868 -0.023 0.000 0.891 190 T HN 0.129 8.354 8.240 -0.022 0.002 0.492 191 M N 0.615 120.133 119.600 -0.136 0.000 2.334 191 M HA -0.072 nan 4.480 nan 0.000 0.266 191 M C 1.453 177.684 176.300 -0.116 0.000 1.082 191 M CA 1.218 56.430 55.300 -0.146 0.000 1.141 191 M CB -0.918 31.624 32.600 -0.097 0.000 1.380 191 M HN -0.413 7.666 8.290 -0.094 0.155 0.440 192 A N -2.088 120.679 122.820 -0.088 0.000 1.978 192 A HA -0.112 nan 4.320 nan 0.000 0.220 192 A C 1.494 179.030 177.584 -0.081 0.000 1.170 192 A CA 2.767 54.761 52.037 -0.071 0.000 0.636 192 A CB -0.133 18.834 19.000 -0.055 0.000 0.810 192 A HN -0.167 7.936 8.150 -0.080 0.000 0.448 193 V N -9.522 110.332 119.914 -0.101 0.000 3.661 193 V HA 0.357 nan 4.120 nan 0.000 0.271 193 V C 1.221 177.231 176.094 -0.140 0.000 1.315 193 V CA -0.474 61.763 62.300 -0.104 0.000 1.072 193 V CB -0.563 31.204 31.823 -0.093 0.000 0.830 193 V HN -0.580 7.518 8.190 -0.109 0.027 0.443 194 A N 2.123 124.833 122.820 -0.183 0.000 1.915 194 A HA -0.480 nan 4.320 nan 0.000 0.220 194 A C 1.342 178.789 177.584 -0.228 0.000 1.198 194 A CA 3.687 55.578 52.037 -0.244 0.000 0.647 194 A CB -0.926 17.896 19.000 -0.296 0.000 0.825 194 A HN -0.249 7.681 8.150 -0.179 0.113 0.456 195 D N -3.116 117.183 120.400 -0.168 0.000 2.234 195 D HA -0.163 nan 4.640 nan 0.000 0.205 195 D C 2.201 178.432 176.300 -0.115 0.000 0.962 195 D CA 3.097 57.012 54.000 -0.141 0.000 0.855 195 D CB -0.084 40.659 40.800 -0.094 0.000 0.951 195 D HN 0.164 8.447 8.370 -0.146 0.000 0.500 196 I N 0.480 120.989 120.570 -0.102 0.000 2.226 196 I HA -0.452 nan 4.170 nan 0.000 0.245 196 I C 1.634 177.701 176.117 -0.084 0.000 1.100 196 I CA 3.213 64.467 61.300 -0.077 0.000 1.374 196 I CB -0.132 37.828 38.000 -0.067 0.000 1.057 196 I HN -0.551 7.481 8.210 -0.108 0.113 0.413 197 L N -2.864 118.290 121.223 -0.115 0.000 1.988 197 L HA -0.332 nan 4.340 nan 0.000 0.207 197 L C 2.890 179.678 176.870 -0.136 0.000 1.071 197 L CA 3.058 57.827 54.840 -0.117 0.000 0.744 197 L CB -0.139 41.835 42.059 -0.142 0.000 0.893 197 L HN -0.270 7.881 8.230 -0.131 0.001 0.433 198 T N -3.972 110.432 114.554 -0.249 0.000 2.929 198 T HA -0.256 nan 4.350 nan 0.000 0.271 198 T C 2.851 177.496 174.700 -0.092 0.000 1.085 198 T CA 3.594 65.485 62.100 -0.349 0.000 1.125 198 T CB -0.656 67.672 68.868 -0.900 0.000 0.874 198 T HN -0.109 7.960 8.240 -0.285 0.000 0.494 199 S N 3.488 119.151 115.700 -0.062 0.000 2.481 199 S HA -0.153 nan 4.470 nan 0.000 0.231 199 S C 0.803 175.419 174.600 0.026 0.000 0.996 199 S CA 2.896 61.098 58.200 0.004 0.000 0.942 199 S CB -0.320 62.872 63.200 -0.013 0.000 0.768 199 S HN -0.190 8.040 8.310 -0.097 0.021 0.520 200 M N -0.633 118.976 119.600 0.014 0.000 2.428 200 M HA 0.120 nan 4.480 nan 0.000 0.239 200 M C -1.407 174.926 176.300 0.055 0.000 1.121 200 M CA -0.121 55.196 55.300 0.028 0.000 1.019 200 M CB 1.119 33.726 32.600 0.012 0.000 1.485 200 M HN -0.558 7.571 8.290 -0.014 0.153 0.484 201 V N 0.625 120.590 119.914 0.086 0.000 2.637 201 V HA 0.252 nan 4.120 nan 0.000 0.296 201 V C -0.718 175.448 176.094 0.120 0.000 1.046 201 V CA 1.591 63.970 62.300 0.131 0.000 1.066 201 V CB 0.020 31.991 31.823 0.245 0.000 0.968 201 V HN -0.799 7.262 8.190 0.084 0.180 0.483 202 V N 6.177 126.148 119.914 0.094 0.000 3.188 202 V HA 0.387 nan 4.120 nan 0.000 0.305 202 V C -1.732 174.394 176.094 0.053 0.000 1.232 202 V CA -1.748 60.593 62.300 0.067 0.000 1.043 202 V CB 4.931 36.788 31.823 0.056 0.000 1.068 202 V HN 0.766 9.012 8.190 0.094 0.000 0.439 203 D N 5.229 125.649 120.400 0.033 0.000 2.498 203 D HA 0.145 nan 4.640 nan 0.000 0.229 203 D C 0.904 177.215 176.300 0.019 0.000 1.188 203 D CA -0.036 53.978 54.000 0.024 0.000 1.028 203 D CB -0.806 40.000 40.800 0.010 0.000 1.087 203 D HN 0.107 8.494 8.370 0.027 0.000 0.510 204 V N 4.964 124.898 119.914 0.033 0.000 2.282 204 V HA -0.492 nan 4.120 nan 0.000 0.249 204 V C 1.453 177.559 176.094 0.019 0.000 1.057 204 V CA 3.831 66.148 62.300 0.029 0.000 1.032 204 V CB -0.315 31.545 31.823 0.062 0.000 0.645 204 V HN -0.060 8.131 8.190 0.047 0.026 0.447 205 S N -0.406 115.315 115.700 0.034 0.000 2.359 205 S HA -0.413 nan 4.470 nan 0.000 0.224 205 S C 1.895 176.501 174.600 0.011 0.000 1.035 205 S CA 3.491 61.713 58.200 0.035 0.000 1.018 205 S CB -0.452 62.773 63.200 0.041 0.000 0.876 205 S HN 0.106 8.440 8.310 0.040 0.000 0.448 206 D N 1.833 122.233 120.400 0.000 0.000 2.117 206 D HA -0.179 nan 4.640 nan 0.000 0.197 206 D C 1.790 178.063 176.300 -0.044 0.000 0.987 206 D CA 3.007 56.998 54.000 -0.014 0.000 0.829 206 D CB 0.146 40.940 40.800 -0.010 0.000 0.961 206 D HN -0.736 7.909 8.370 0.006 -0.271 0.460 207 L N 0.463 121.650 121.223 -0.060 0.000 2.012 207 L HA -0.303 nan 4.340 nan 0.000 0.210 207 L C 1.473 178.215 176.870 -0.214 0.000 1.073 207 L CA 3.430 58.193 54.840 -0.128 0.000 0.748 207 L CB -0.308 41.674 42.059 -0.128 0.000 0.891 207 L HN -0.210 7.998 8.230 -0.037 0.000 0.431 208 L N -2.414 118.711 121.223 -0.163 0.000 2.083 208 L HA -0.492 nan 4.340 nan 0.000 0.209 208 L C 2.172 178.983 176.870 -0.099 0.000 1.083 208 L CA 3.409 58.159 54.840 -0.150 0.000 0.752 208 L CB -0.828 41.230 42.059 -0.003 0.000 0.899 208 L HN 0.218 8.389 8.230 -0.099 0.000 0.433 209 D N -0.865 119.495 120.400 -0.066 0.000 2.117 209 D HA -0.265 nan 4.640 nan 0.000 0.198 209 D C 2.301 178.540 176.300 -0.103 0.000 0.982 209 D CA 3.514 57.466 54.000 -0.081 0.000 0.828 209 D CB 0.023 40.799 40.800 -0.040 0.000 0.967 209 D HN -0.342 7.932 8.370 -0.045 0.070 0.464 210 Q N -1.214 118.532 119.800 -0.091 0.000 2.050 210 Q HA -0.349 nan 4.340 nan 0.000 0.202 210 Q C 2.541 178.493 176.000 -0.080 0.000 0.980 210 Q CA 2.990 58.747 55.803 -0.077 0.000 0.840 210 Q CB -0.156 28.544 28.738 -0.063 0.000 0.898 210 Q HN 0.315 8.425 8.270 -0.084 0.109 0.424 211 A N -0.748 121.998 122.820 -0.124 0.000 1.902 211 A HA -0.324 nan 4.320 nan 0.000 0.217 211 A C 1.934 179.496 177.584 -0.037 0.000 1.181 211 A CA 3.011 55.002 52.037 -0.077 0.000 0.623 211 A CB -0.804 18.058 19.000 -0.228 0.000 0.818 211 A HN 0.299 8.337 8.150 -0.187 0.000 0.443 212 R N -1.100 119.356 120.500 -0.074 0.000 2.080 212 R HA -0.346 nan 4.340 nan 0.000 0.236 212 R C 2.777 179.020 176.300 -0.095 0.000 1.137 212 R CA 3.227 59.275 56.100 -0.087 0.000 0.943 212 R CB -0.055 30.117 30.300 -0.213 0.000 0.846 212 R HN 0.112 8.215 8.270 -0.101 0.107 0.431 213 Q N -2.757 116.974 119.800 -0.115 0.000 2.369 213 Q HA -0.141 nan 4.340 nan 0.000 0.206 213 Q C 1.718 177.690 176.000 -0.048 0.000 0.963 213 Q CA 2.240 57.991 55.803 -0.086 0.000 0.894 213 Q CB -0.241 28.445 28.738 -0.087 0.000 0.965 213 Q HN -0.322 7.871 8.270 -0.128 0.000 0.475 214 R N -0.437 120.040 120.500 -0.038 0.000 2.240 214 R HA -0.012 nan 4.340 nan 0.000 0.203 214 R C 0.777 177.059 176.300 -0.030 0.000 1.011 214 R CA 0.483 56.566 56.100 -0.028 0.000 1.007 214 R CB 0.774 31.064 30.300 -0.016 0.000 0.911 214 R HN -0.306 7.821 8.270 -0.043 0.117 0.468 215 G N -1.040 107.752 108.800 -0.014 0.000 2.137 215 G HA2 -0.402 nan 3.960 nan 0.000 0.237 215 G HA3 -0.402 nan 3.960 nan 0.000 0.237 215 G C -0.421 174.462 174.900 -0.029 0.000 1.002 215 G CA -0.151 44.951 45.100 0.003 0.000 0.702 215 G HN -0.269 7.866 8.290 -0.013 0.147 0.515 216 D N 0.684 121.081 120.400 -0.005 0.000 2.362 216 D HA -0.052 nan 4.640 nan 0.000 0.242 216 D C -0.269 176.111 176.300 0.132 0.000 1.132 216 D CA 0.460 54.439 54.000 -0.035 0.000 0.907 216 D CB 0.907 41.788 40.800 0.134 0.000 1.195 216 D HN -0.340 8.047 8.370 0.028 0.000 0.429 217 F N -0.985 118.935 119.950 -0.049 0.000 2.438 217 F HA 0.066 nan 4.527 nan 0.000 0.356 217 F C -0.061 175.759 175.800 0.035 0.000 1.099 217 F CA -1.629 56.309 58.000 -0.104 0.000 1.185 217 F CB 0.634 39.271 39.000 -0.605 0.000 1.115 217 F HN -0.093 8.042 8.300 -0.275 0.000 0.526 218 V N 5.286 125.423 119.914 0.371 0.000 2.588 218 V HA 0.643 nan 4.120 nan 0.000 0.304 218 V C -2.206 173.993 176.094 0.175 0.000 1.042 218 V CA -1.298 61.115 62.300 0.188 0.000 0.877 218 V CB 2.804 34.654 31.823 0.044 0.000 0.996 218 V HN 0.544 9.019 8.190 0.474 0.000 0.425 219 M N 5.382 125.012 119.600 0.050 0.000 2.321 219 M HA 0.803 nan 4.480 nan 0.000 0.315 219 M C -2.252 173.981 176.300 -0.112 0.000 1.052 219 M CA -1.644 53.713 55.300 0.094 0.000 0.936 219 M CB 3.892 36.629 32.600 0.228 0.000 1.639 219 M HN 0.682 8.982 8.290 0.016 0.000 0.433 220 F N 4.808 124.863 119.950 0.175 0.000 2.427 220 F HA 0.546 nan 4.527 nan 0.000 0.346 220 F C -1.498 174.480 175.800 0.298 0.000 1.120 220 F CA -1.317 56.821 58.000 0.230 0.000 1.033 220 F CB 1.360 40.422 39.000 0.102 0.000 1.126 220 F HN 1.050 9.496 8.300 0.421 0.107 0.462 221 E N 3.055 123.523 120.200 0.446 0.000 2.133 221 E HA 0.670 nan 4.350 nan 0.000 0.274 221 E C -0.462 176.260 176.600 0.204 0.000 0.930 221 E CA -2.175 54.409 56.400 0.306 0.000 0.770 221 E CB 1.641 31.454 29.700 0.187 0.000 1.104 221 E HN 0.686 9.296 8.360 0.416 0.000 0.403 222 G N 1.507 110.410 108.800 0.173 0.000 2.420 222 G HA2 0.226 nan 3.960 nan 0.000 0.284 222 G HA3 0.226 nan 3.960 nan 0.000 0.284 222 G C -1.646 173.232 174.900 -0.037 0.000 1.177 222 G CA -1.011 44.047 45.100 -0.069 0.000 0.841 222 G HN 0.280 8.715 8.290 0.241 0.000 0.527 223 A N 1.533 124.303 122.820 -0.082 0.000 2.390 223 A HA 0.208 nan 4.320 nan 0.000 0.232 223 A C -0.660 176.927 177.584 0.006 0.000 1.233 223 A CA 0.374 52.403 52.037 -0.013 0.000 0.907 223 A CB 0.648 19.646 19.000 -0.003 0.000 0.967 223 A HN 0.785 9.309 8.150 -0.164 -0.472 0.512 224 Q N -2.761 117.040 119.800 0.002 0.000 2.892 224 Q HA 0.205 nan 4.340 nan 0.000 0.307 224 Q C -1.098 174.910 176.000 0.014 0.000 1.039 224 Q CA -1.276 54.535 55.803 0.014 0.000 0.792 224 Q CB 3.501 32.249 28.738 0.017 0.000 1.504 224 Q HN -0.595 7.670 8.270 -0.009 0.000 0.487 225 G N -1.987 106.823 108.800 0.016 0.000 2.448 225 G HA2 0.143 nan 3.960 nan 0.000 0.285 225 G HA3 0.143 nan 3.960 nan 0.000 0.285 225 G C 0.417 175.302 174.900 -0.026 0.000 1.176 225 G CA -0.664 44.431 45.100 -0.009 0.000 0.852 225 G HN 0.060 8.367 8.290 0.029 0.000 0.530 226 T N 6.066 120.582 114.554 -0.063 0.000 2.665 226 T HA -0.358 nan 4.350 nan 0.000 0.268 226 T C 2.434 177.097 174.700 -0.062 0.000 1.035 226 T CA 4.873 66.938 62.100 -0.058 0.000 1.151 226 T CB -0.094 68.728 68.868 -0.077 0.000 0.862 226 T HN 0.257 8.353 8.240 -0.076 0.099 0.438 227 L N -1.125 119.998 121.223 -0.167 0.000 2.700 227 L HA -0.157 nan 4.340 nan 0.000 0.240 227 L C 0.337 177.244 176.870 0.061 0.000 1.162 227 L CA 1.795 56.558 54.840 -0.130 0.000 0.874 227 L CB -1.035 40.735 42.059 -0.483 0.000 1.001 227 L HN -0.280 7.782 8.230 -0.280 0.000 0.447 228 L N -3.413 117.852 121.223 0.071 0.000 2.693 228 L HA 0.060 nan 4.340 nan 0.000 0.235 228 L C -0.454 176.463 176.870 0.079 0.000 1.127 228 L CA -1.142 53.764 54.840 0.110 0.000 0.914 228 L CB 0.053 42.174 42.059 0.104 0.000 1.193 228 L HN -0.679 7.478 8.230 0.028 0.090 0.502 229 D N 1.114 121.556 120.400 0.070 0.000 2.525 229 D HA -0.229 nan 4.640 nan 0.000 0.235 229 D C 0.815 177.151 176.300 0.060 0.000 1.137 229 D CA 2.189 56.230 54.000 0.069 0.000 0.868 229 D CB 1.719 42.586 40.800 0.111 0.000 1.180 229 D HN -0.340 7.912 8.370 0.062 0.155 0.465 230 I N 6.223 126.809 120.570 0.026 0.000 2.264 230 I HA -0.450 nan 4.170 nan 0.000 0.248 230 I C 0.261 176.364 176.117 -0.023 0.000 1.111 230 I CA 2.869 64.183 61.300 0.024 0.000 1.382 230 I CB 0.470 38.459 38.000 -0.018 0.000 1.060 230 I HN 0.060 8.276 8.210 0.011 0.000 0.418 231 D N -2.268 118.050 120.400 -0.137 0.000 2.197 231 D HA -0.051 nan 4.640 nan 0.000 0.212 231 D C 1.383 177.421 176.300 -0.437 0.000 0.963 231 D CA 3.137 56.913 54.000 -0.372 0.000 0.864 231 D CB 0.655 41.078 40.800 -0.628 0.000 1.009 231 D HN -0.478 8.023 8.370 -0.095 -0.188 0.479 232 H N -3.369 115.707 119.070 0.010 0.000 2.575 232 H HA 0.251 nan 4.556 nan 0.000 0.267 232 H C 0.522 175.880 175.328 0.050 0.000 0.966 232 H CA 0.624 56.686 56.048 0.023 0.000 1.165 232 H CB 0.891 30.658 29.762 0.009 0.000 1.433 232 H HN 0.002 8.624 8.280 -0.103 -0.404 0.544 233 G N -1.504 107.378 108.800 0.137 0.000 2.508 233 G HA2 0.151 nan 3.960 nan 0.000 0.278 233 G HA3 0.151 nan 3.960 nan 0.000 0.278 233 G C 0.108 175.086 174.900 0.131 0.000 1.389 233 G CA -0.654 44.521 45.100 0.126 0.000 1.050 233 G HN -0.479 7.778 8.290 0.106 0.097 0.522 234 T N -0.131 114.491 114.554 0.114 0.000 4.578 234 T HA 0.029 nan 4.350 nan 0.000 0.236 234 T C -0.360 174.410 174.700 0.116 0.000 1.038 234 T CA -1.015 61.103 62.100 0.030 0.000 1.067 234 T CB -2.275 66.574 68.868 -0.031 0.000 1.390 234 T HN -0.131 8.198 8.240 0.148 0.000 1.076 235 Y N 5.902 126.194 120.300 -0.015 0.000 2.805 235 Y HA -0.197 nan 4.550 nan 0.000 0.337 235 Y C -1.158 174.668 175.900 -0.123 0.000 1.252 235 Y CA -0.222 57.840 58.100 -0.064 0.000 1.515 235 Y CB -0.023 38.409 38.460 -0.048 0.000 1.305 235 Y HN -0.142 8.219 8.280 0.235 0.060 0.600 236 P HA 0.014 nan 4.420 nan 0.000 0.257 236 P C -1.717 175.139 177.300 -0.739 0.000 1.325 236 P CA 0.598 62.976 63.100 -1.202 0.000 0.850 236 P CB 0.427 31.424 31.700 -1.172 0.000 1.324 237 Y N 2.215 122.394 120.300 -0.201 0.000 2.735 237 Y HA -0.008 nan 4.550 nan 0.000 0.354 237 Y C -1.417 174.448 175.900 -0.058 0.000 1.288 237 Y CA -0.432 57.592 58.100 -0.126 0.000 1.836 237 Y CB -2.543 35.841 38.460 -0.127 0.000 1.920 237 Y HN 0.024 7.974 8.280 -0.288 0.157 0.438 238 V N -5.171 114.755 119.914 0.020 0.000 3.181 238 V HA 0.595 nan 4.120 nan 0.000 0.308 238 V C -1.242 174.869 176.094 0.029 0.000 1.214 238 V CA -2.914 59.421 62.300 0.059 0.000 1.053 238 V CB 3.542 35.418 31.823 0.088 0.000 1.069 238 V HN -0.336 7.751 8.190 -0.084 0.053 0.441 239 T N -0.219 114.358 114.554 0.039 0.000 2.770 239 T HA 0.276 nan 4.350 nan 0.000 0.281 239 T C -0.099 174.612 174.700 0.018 0.000 0.981 239 T CA -1.244 60.872 62.100 0.026 0.000 0.955 239 T CB 0.830 69.716 68.868 0.029 0.000 1.060 239 T HN 0.499 8.659 8.240 0.052 0.111 0.531 240 S N -1.708 114.003 115.700 0.019 0.000 2.575 240 S HA 0.087 nan 4.470 nan 0.000 0.215 240 S C -0.283 174.263 174.600 -0.091 0.000 0.966 240 S CA 1.024 59.225 58.200 0.002 0.000 0.911 240 S CB 0.519 63.757 63.200 0.062 0.000 0.780 240 S HN 0.040 8.370 8.310 0.033 0.000 0.514 241 S N 1.940 117.598 115.700 -0.071 0.000 2.621 241 S HA 0.161 nan 4.470 nan 0.000 0.302 241 S C -1.012 173.538 174.600 -0.084 0.000 1.093 241 S CA -1.322 56.790 58.200 -0.147 0.000 1.017 241 S CB 2.637 65.820 63.200 -0.028 0.000 1.077 241 S HN -0.744 7.487 8.310 -0.013 0.071 0.517 242 N N 1.473 120.119 118.700 -0.090 0.000 2.514 242 N HA 0.078 nan 4.740 nan 0.000 0.277 242 N C 0.117 175.642 175.510 0.025 0.000 1.126 242 N CA 1.098 54.143 53.050 -0.008 0.000 0.978 242 N CB 1.127 39.622 38.487 0.014 0.000 1.106 242 N HN 0.358 8.647 8.380 -0.152 0.000 0.461 243 T N -0.968 113.616 114.554 0.049 0.000 3.091 243 T HA 0.216 nan 4.350 nan 0.000 0.277 243 T C -0.156 174.590 174.700 0.077 0.000 0.996 243 T CA -1.108 61.021 62.100 0.048 0.000 0.897 243 T CB 0.929 69.816 68.868 0.030 0.000 1.109 243 T HN 0.448 9.068 8.240 0.062 -0.342 0.534 244 T N -1.729 112.878 114.554 0.089 0.000 2.912 244 T HA 0.391 nan 4.350 nan 0.000 0.280 244 T C 0.950 175.705 174.700 0.092 0.000 0.989 244 T CA -2.403 59.734 62.100 0.062 0.000 0.995 244 T CB 2.793 71.666 68.868 0.010 0.000 1.077 244 T HN -0.848 7.600 8.240 0.094 -0.152 0.531 245 A N 0.459 123.294 122.820 0.026 0.000 2.178 245 A HA -0.116 nan 4.320 nan 0.000 0.218 245 A C 1.947 179.463 177.584 -0.114 0.000 1.157 245 A CA 2.558 54.571 52.037 -0.040 0.000 0.689 245 A CB -0.469 18.478 19.000 -0.089 0.000 0.787 245 A HN 0.653 9.184 8.150 -0.002 -0.382 0.465 246 G N -1.827 106.933 108.800 -0.068 0.000 2.509 246 G HA2 -0.247 nan 3.960 nan 0.000 0.218 246 G HA3 -0.247 nan 3.960 nan 0.000 0.218 246 G C 0.909 175.775 174.900 -0.056 0.000 1.124 246 G CA 1.039 46.091 45.100 -0.080 0.000 0.776 246 G HN -0.576 7.629 8.290 -0.039 0.061 0.547 247 G N -0.276 108.538 108.800 0.023 0.000 2.598 247 G HA2 -0.073 nan 3.960 nan 0.000 0.215 247 G HA3 -0.073 nan 3.960 nan 0.000 0.215 247 G C 0.646 175.538 174.900 -0.014 0.000 1.131 247 G CA 0.759 45.922 45.100 0.105 0.000 0.785 247 G HN -0.367 7.935 8.290 0.075 0.033 0.539 248 V N 2.201 121.869 119.914 -0.410 0.000 2.295 248 V HA -0.429 nan 4.120 nan 0.000 0.246 248 V C 1.813 177.664 176.094 -0.405 0.000 1.049 248 V CA 4.157 65.974 62.300 -0.805 0.000 1.024 248 V CB -0.776 30.389 31.823 -1.097 0.000 0.648 248 V HN -0.111 7.692 8.190 -0.366 0.167 0.447 249 A N -2.103 120.551 122.820 -0.277 0.000 1.877 249 A HA -0.353 nan 4.320 nan 0.000 0.216 249 A C 2.272 179.821 177.584 -0.057 0.000 1.186 249 A CA 3.477 55.421 52.037 -0.155 0.000 0.620 249 A CB -0.797 18.125 19.000 -0.129 0.000 0.822 249 A HN 0.243 8.225 8.150 -0.281 0.000 0.443 250 T N -0.632 113.904 114.554 -0.030 0.000 2.857 250 T HA -0.160 nan 4.350 nan 0.000 0.266 250 T C 1.754 176.499 174.700 0.075 0.000 1.048 250 T CA 4.185 66.299 62.100 0.024 0.000 1.139 250 T CB -0.126 68.758 68.868 0.027 0.000 0.874 250 T HN 0.145 8.353 8.240 -0.053 0.000 0.455 251 G N -1.386 107.483 108.800 0.116 0.000 2.813 251 G HA2 0.119 nan 3.960 nan 0.000 0.209 251 G HA3 0.119 nan 3.960 nan 0.000 0.209 251 G C 0.190 175.216 174.900 0.211 0.000 1.150 251 G CA 0.854 46.076 45.100 0.203 0.000 0.785 251 G HN 0.200 8.548 8.290 0.097 0.000 0.535 252 S N -1.275 114.517 115.700 0.153 0.000 2.653 252 S HA 0.183 nan 4.470 nan 0.000 0.259 252 S C 0.838 175.515 174.600 0.129 0.000 1.076 252 S CA -0.283 58.030 58.200 0.187 0.000 1.051 252 S CB 2.194 65.573 63.200 0.298 0.000 0.994 252 S HN -0.621 7.692 8.310 0.085 0.048 0.552 253 G N 2.113 110.962 108.800 0.081 0.000 2.175 253 G HA2 -0.296 nan 3.960 nan 0.000 0.244 253 G HA3 -0.296 nan 3.960 nan 0.000 0.244 253 G C -0.451 174.490 174.900 0.068 0.000 0.982 253 G CA 0.221 45.361 45.100 0.066 0.000 0.641 253 G HN -0.073 8.147 8.290 0.056 0.104 0.527 254 L N 1.599 122.865 121.223 0.071 0.000 2.453 254 L HA -0.005 nan 4.340 nan 0.000 0.272 254 L C 0.092 177.007 176.870 0.075 0.000 1.182 254 L CA 0.932 55.834 54.840 0.104 0.000 0.858 254 L CB 0.816 42.924 42.059 0.082 0.000 1.120 254 L HN -0.851 7.355 8.230 0.062 0.061 0.474 255 G N 3.300 112.211 108.800 0.184 0.000 2.380 255 G HA2 0.091 nan 3.960 nan 0.000 0.242 255 G HA3 0.091 nan 3.960 nan 0.000 0.242 255 G C -0.530 174.285 174.900 -0.143 0.000 1.298 255 G CA -1.489 43.622 45.100 0.019 0.000 0.878 255 G HN 0.013 8.508 8.290 0.342 0.000 0.542 256 P HA -0.239 nan 4.420 nan 0.000 0.217 256 P C 1.490 178.638 177.300 -0.253 0.000 1.148 256 P CA 2.007 64.987 63.100 -0.200 0.000 0.828 256 P CB 0.296 31.899 31.700 -0.162 0.000 0.783 257 R N -3.280 116.967 120.500 -0.422 0.000 2.323 257 R HA -0.102 nan 4.340 nan 0.000 0.198 257 R C 0.910 177.011 176.300 -0.332 0.000 0.988 257 R CA 1.291 57.143 56.100 -0.412 0.000 1.041 257 R CB -0.430 29.568 30.300 -0.504 0.000 0.926 257 R HN 0.265 8.202 8.270 -0.527 0.017 0.476 258 Y N -3.036 117.242 120.300 -0.037 0.000 2.571 258 Y HA 0.040 nan 4.550 nan 0.000 0.275 258 Y C -0.769 175.125 175.900 -0.010 0.000 1.179 258 Y CA -1.215 56.880 58.100 -0.009 0.000 1.242 258 Y CB -0.612 37.856 38.460 0.014 0.000 1.126 258 Y HN -0.369 7.558 8.280 -0.276 0.188 0.524 259 V N 0.394 120.333 119.914 0.043 0.000 2.385 259 V HA -0.109 nan 4.120 nan 0.000 0.269 259 V C -0.151 175.964 176.094 0.034 0.000 1.043 259 V CA 0.438 62.735 62.300 -0.004 0.000 0.906 259 V CB -0.447 31.300 31.823 -0.126 0.000 0.995 259 V HN -0.677 7.440 8.190 -0.026 0.057 0.467 260 D N 7.409 127.864 120.400 0.091 0.000 2.259 260 D HA 0.092 nan 4.640 nan 0.000 0.216 260 D C -1.165 175.197 176.300 0.102 0.000 0.961 260 D CA 2.632 56.692 54.000 0.100 0.000 0.878 260 D CB 1.747 42.632 40.800 0.142 0.000 1.009 260 D HN 0.153 8.601 8.370 0.129 0.000 0.490 261 Y N -2.090 118.180 120.300 -0.050 0.000 2.433 261 Y HA 0.091 nan 4.550 nan 0.000 0.337 261 Y C -2.939 172.901 175.900 -0.099 0.000 1.026 261 Y CA -0.650 57.394 58.100 -0.094 0.000 1.037 261 Y CB 3.292 41.670 38.460 -0.137 0.000 1.245 261 Y HN -0.619 7.757 8.280 0.160 0.000 0.443 262 V N 7.821 127.509 119.914 -0.376 0.000 2.350 262 V HA 0.475 nan 4.120 nan 0.000 0.285 262 V C -1.926 174.004 176.094 -0.273 0.000 1.014 262 V CA -1.447 60.731 62.300 -0.204 0.000 0.831 262 V CB 0.793 32.497 31.823 -0.199 0.000 1.000 262 V HN 0.524 8.308 8.190 -0.676 0.000 0.433 263 L N 9.054 130.295 121.223 0.029 0.000 2.264 263 L HA 0.651 nan 4.340 nan 0.000 0.289 263 L C -1.528 175.376 176.870 0.058 0.000 1.044 263 L CA -1.343 53.566 54.840 0.115 0.000 0.807 263 L CB 2.832 45.039 42.059 0.246 0.000 1.192 263 L HN 0.989 9.177 8.230 0.105 0.105 0.425 264 G N 6.673 115.503 108.800 0.050 0.000 2.335 264 G HA2 0.548 nan 3.960 nan 0.000 0.314 264 G HA3 0.548 nan 3.960 nan 0.000 0.314 264 G C -1.396 173.623 174.900 0.198 0.000 1.129 264 G CA -1.543 43.631 45.100 0.124 0.000 0.912 264 G HN 0.756 9.045 8.290 -0.002 0.000 0.443 265 I N 6.393 127.031 120.570 0.114 0.000 2.452 265 I HA 0.318 nan 4.170 nan 0.000 0.287 265 I C -1.232 174.906 176.117 0.034 0.000 1.079 265 I CA -1.551 59.793 61.300 0.075 0.000 1.387 265 I CB -0.986 37.036 38.000 0.036 0.000 1.404 265 I HN 0.811 9.073 8.210 0.087 0.000 0.522 266 L N 9.253 130.467 121.223 -0.015 0.000 2.349 266 L HA 0.523 nan 4.340 nan 0.000 0.278 266 L C -2.543 174.253 176.870 -0.123 0.000 0.996 266 L CA -1.327 53.430 54.840 -0.139 0.000 0.825 266 L CB 3.821 45.636 42.059 -0.406 0.000 1.243 266 L HN 0.899 9.136 8.230 0.011 0.000 0.412 267 K N 6.711 127.026 120.400 -0.141 0.000 2.185 267 K HA 0.162 nan 4.320 nan 0.000 0.271 267 K C -0.286 176.242 176.600 -0.119 0.000 1.013 267 K CA -0.564 55.616 56.287 -0.178 0.000 0.943 267 K CB 1.446 33.740 32.500 -0.342 0.000 0.998 267 K HN 0.601 9.180 8.250 -0.146 -0.416 0.468 268 A N 2.571 125.401 122.820 0.017 0.000 2.225 268 A HA -0.129 nan 4.320 nan 0.000 0.215 268 A C -1.127 176.715 177.584 0.430 0.000 1.164 268 A CA 2.034 54.237 52.037 0.276 0.000 0.710 268 A CB 0.644 19.916 19.000 0.452 0.000 0.780 268 A HN 0.613 8.781 8.150 0.028 0.000 0.473 269 Y N -8.375 112.061 120.300 0.227 0.000 2.705 269 Y HA 0.678 nan 4.550 nan 0.000 0.332 269 Y C -2.419 173.617 175.900 0.227 0.000 1.221 269 Y CA -3.756 54.499 58.100 0.260 0.000 1.059 269 Y CB 2.563 41.136 38.460 0.188 0.000 1.298 269 Y HN -0.884 7.124 8.280 -0.328 0.075 0.459 270 S N 0.154 116.072 115.700 0.364 0.000 2.638 270 S HA 0.382 nan 4.470 nan 0.000 0.298 270 S C -1.296 173.515 174.600 0.351 0.000 1.111 270 S CA -1.119 57.276 58.200 0.326 0.000 1.027 270 S CB 2.587 66.159 63.200 0.620 0.000 1.064 270 S HN 0.510 9.139 8.310 0.532 0.000 0.525 271 T N -3.067 111.567 114.554 0.134 0.000 2.883 271 T HA 0.524 nan 4.350 nan 0.000 0.301 271 T C -2.409 172.140 174.700 -0.252 0.000 1.158 271 T CA -1.818 60.311 62.100 0.048 0.000 1.007 271 T CB 3.082 71.978 68.868 0.047 0.000 1.186 271 T HN 0.106 8.412 8.240 0.110 0.000 0.499 272 R N 0.821 121.112 120.500 -0.347 0.000 2.535 272 R HA 0.441 nan 4.340 nan 0.000 0.274 272 R C -2.409 173.750 176.300 -0.235 0.000 1.090 272 R CA 0.075 55.872 56.100 -0.505 0.000 0.930 272 R CB 3.970 33.533 30.300 -1.228 0.000 1.223 272 R HN 0.138 8.331 8.270 -0.129 0.000 0.441 273 V N 5.813 125.630 119.914 -0.161 0.000 2.427 273 V HA 0.466 nan 4.120 nan 0.000 0.286 273 V C 0.081 176.121 176.094 -0.091 0.000 1.034 273 V CA -0.063 62.185 62.300 -0.086 0.000 0.893 273 V CB 0.601 32.400 31.823 -0.040 0.000 0.982 273 V HN 0.610 8.710 8.190 -0.150 0.000 0.452 274 G N 5.705 114.465 108.800 -0.066 0.000 2.484 274 G HA2 -0.207 nan 3.960 nan 0.000 0.225 274 G HA3 -0.207 nan 3.960 nan 0.000 0.225 274 G C -2.098 172.741 174.900 -0.101 0.000 1.250 274 G CA -0.249 44.817 45.100 -0.057 0.000 0.926 274 G HN 0.132 8.392 8.290 -0.050 0.000 0.581 275 A N 0.479 123.230 122.820 -0.115 0.000 2.309 275 A HA 0.621 nan 4.320 nan 0.000 0.317 275 A C -0.199 177.010 177.584 -0.626 0.000 1.134 275 A CA -0.826 51.062 52.037 -0.248 0.000 0.866 275 A CB 1.651 20.574 19.000 -0.128 0.000 1.329 275 A HN 0.275 8.395 8.150 -0.050 0.000 0.477 276 G N -2.245 105.968 108.800 -0.979 0.000 2.381 276 G HA2 -0.109 nan 3.960 nan 0.000 0.672 276 G HA3 -0.109 nan 3.960 nan 0.000 0.672 276 G C -3.091 171.426 174.900 -0.639 0.000 1.324 276 G CA -0.377 43.850 45.100 -1.455 0.000 0.975 276 G HN -0.336 7.557 8.290 -0.661 0.000 0.593 277 P HA 0.103 nan 4.420 nan 0.000 0.263 277 P C -1.907 175.315 177.300 -0.130 0.000 1.195 277 P CA 0.720 63.713 63.100 -0.178 0.000 0.762 277 P CB 0.116 31.596 31.700 -0.368 0.000 0.799 278 F N 4.997 124.839 119.950 -0.181 0.000 3.065 278 F HA 0.313 nan 4.527 nan 0.000 0.383 278 F C -2.345 173.441 175.800 -0.023 0.000 1.259 278 F CA -3.983 53.867 58.000 -0.251 0.000 1.217 278 F CB 0.321 39.073 39.000 -0.414 0.000 2.042 278 F HN 0.213 8.602 8.300 0.148 0.000 0.641 279 P HA -0.105 nan 4.420 nan 0.000 0.221 279 P C -0.319 177.025 177.300 0.074 0.000 1.145 279 P CA 2.192 65.346 63.100 0.090 0.000 0.795 279 P CB 0.107 31.741 31.700 -0.109 0.000 0.775 280 T N -3.045 111.597 114.554 0.147 0.000 3.176 280 T HA 0.148 nan 4.350 nan 0.000 0.263 280 T C -1.172 173.401 174.700 -0.211 0.000 1.021 280 T CA -1.564 60.657 62.100 0.201 0.000 0.905 280 T CB -0.506 68.666 68.868 0.506 0.000 1.057 280 T HN -0.041 8.345 8.240 0.311 0.041 0.558 281 E N 1.617 121.363 120.200 -0.757 0.000 2.437 281 E HA -0.035 nan 4.350 nan 0.000 0.263 281 E C -0.778 175.397 176.600 -0.707 0.000 1.030 281 E CA 0.866 56.569 56.400 -1.161 0.000 0.934 281 E CB 0.774 29.717 29.700 -1.261 0.000 0.943 281 E HN -0.607 7.311 8.360 -0.627 0.065 0.444 282 L N 3.604 124.360 121.223 -0.778 0.000 2.346 282 L HA 0.237 nan 4.340 nan 0.000 0.276 282 L C -1.009 175.482 176.870 -0.631 0.000 1.006 282 L CA -0.833 53.679 54.840 -0.546 0.000 0.817 282 L CB 2.074 43.822 42.059 -0.518 0.000 1.272 282 L HN 0.633 8.274 8.230 -0.814 0.100 0.421 283 F N 1.015 120.883 119.950 -0.137 0.000 2.831 283 F HA 0.203 nan 4.527 nan 0.000 0.355 283 F C -1.051 174.703 175.800 -0.077 0.000 1.341 283 F CA -0.850 57.092 58.000 -0.097 0.000 1.201 283 F CB 0.443 39.399 39.000 -0.073 0.000 1.058 283 F HN 0.256 8.599 8.300 0.072 0.000 0.514 284 D N -1.200 119.208 120.400 0.015 0.000 2.895 284 D HA 0.082 nan 4.640 nan 0.000 0.320 284 D C 0.286 176.566 176.300 -0.034 0.000 1.249 284 D CA -1.726 52.276 54.000 0.004 0.000 0.997 284 D CB 0.750 41.554 40.800 0.007 0.000 1.430 284 D HN -0.883 7.439 8.370 -0.081 0.000 0.558 285 E N -0.878 119.305 120.200 -0.029 0.000 2.049 285 E HA -0.295 nan 4.350 nan 0.000 0.198 285 E C 2.298 178.872 176.600 -0.042 0.000 1.007 285 E CA 4.290 60.672 56.400 -0.030 0.000 0.809 285 E CB -0.767 28.906 29.700 -0.045 0.000 0.749 285 E HN 0.375 8.723 8.360 -0.020 0.000 0.450 286 T N 2.267 116.765 114.554 -0.094 0.000 2.665 286 T HA -0.299 nan 4.350 nan 0.000 0.268 286 T C 1.975 176.547 174.700 -0.213 0.000 1.035 286 T CA 4.195 66.202 62.100 -0.154 0.000 1.151 286 T CB -0.822 67.906 68.868 -0.234 0.000 0.862 286 T HN 0.039 8.276 8.240 -0.086 -0.048 0.438 287 G N 1.578 110.226 108.800 -0.255 0.000 2.459 287 G HA2 -0.340 nan 3.960 nan 0.000 0.217 287 G HA3 -0.340 nan 3.960 nan 0.000 0.217 287 G C 1.231 176.017 174.900 -0.190 0.000 1.183 287 G CA 2.031 46.959 45.100 -0.286 0.000 0.776 287 G HN 0.266 8.784 8.290 -0.222 -0.362 0.552 288 E N 2.638 122.776 120.200 -0.103 0.000 2.150 288 E HA -0.358 nan 4.350 nan 0.000 0.193 288 E C 1.889 178.455 176.600 -0.057 0.000 0.985 288 E CA 2.116 58.479 56.400 -0.062 0.000 0.814 288 E CB -0.696 28.997 29.700 -0.012 0.000 0.752 288 E HN -0.253 8.057 8.360 -0.083 0.000 0.466 289 F N 2.251 122.094 119.950 -0.179 0.000 2.102 289 F HA -0.352 nan 4.527 nan 0.000 0.298 289 F C 1.284 176.934 175.800 -0.250 0.000 1.105 289 F CA 3.690 61.580 58.000 -0.184 0.000 1.239 289 F CB 0.409 39.297 39.000 -0.185 0.000 0.991 289 F HN 0.317 8.500 8.300 0.094 0.173 0.474 290 L N -2.187 118.852 121.223 -0.306 0.000 2.131 290 L HA -0.495 nan 4.340 nan 0.000 0.210 290 L C 2.454 179.018 176.870 -0.510 0.000 1.092 290 L CA 3.064 57.576 54.840 -0.546 0.000 0.759 290 L CB -0.642 41.049 42.059 -0.614 0.000 0.903 290 L HN 0.291 8.431 8.230 -0.150 0.000 0.435 291 C N -0.260 118.824 119.300 -0.361 0.000 2.489 291 C HA -0.364 nan 4.460 nan 0.000 0.279 291 C C 1.773 176.491 174.990 -0.454 0.000 1.266 291 C CA 3.721 62.534 59.018 -0.341 0.000 1.707 291 C CB -1.654 25.945 27.740 -0.235 0.000 2.059 291 C HN -0.152 7.793 8.230 -0.297 0.107 0.481 292 K N -0.484 119.708 120.400 -0.347 0.000 2.057 292 K HA -0.367 nan 4.320 nan 0.000 0.207 292 K C 2.947 179.345 176.600 -0.337 0.000 1.049 292 K CA 3.070 59.198 56.287 -0.265 0.000 0.931 292 K CB -0.570 31.864 32.500 -0.109 0.000 0.714 292 K HN 0.159 8.244 8.250 -0.276 0.000 0.440 293 Q N -0.430 119.062 119.800 -0.513 0.000 2.119 293 Q HA -0.168 nan 4.340 nan 0.000 0.201 293 Q C 2.127 177.950 176.000 -0.296 0.000 0.972 293 Q CA 2.611 58.130 55.803 -0.473 0.000 0.847 293 Q CB -0.278 28.019 28.738 -0.734 0.000 0.903 293 Q HN 0.452 8.213 8.270 -0.667 0.108 0.433 294 G N -3.310 105.298 108.800 -0.320 0.000 2.920 294 G HA2 -0.090 nan 3.960 nan 0.000 0.208 294 G HA3 -0.090 nan 3.960 nan 0.000 0.208 294 G C -0.819 173.979 174.900 -0.169 0.000 1.159 294 G CA -0.859 44.153 45.100 -0.147 0.000 0.784 294 G HN -0.159 7.771 8.290 -0.424 0.105 0.535 295 N N -1.230 117.269 118.700 -0.336 0.000 2.725 295 N HA -0.421 nan 4.740 nan 0.000 0.251 295 N C -0.156 175.047 175.510 -0.512 0.000 1.031 295 N CA 0.796 53.590 53.050 -0.426 0.000 0.720 295 N CB -0.734 37.723 38.487 -0.050 0.000 0.930 295 N HN -0.526 7.447 8.380 -0.372 0.184 0.543 296 E N -0.813 118.977 120.200 -0.683 0.000 2.452 296 E HA 0.109 nan 4.350 nan 0.000 0.293 296 E C -1.044 175.344 176.600 -0.353 0.000 1.535 296 E CA -1.449 54.730 56.400 -0.370 0.000 1.816 296 E CB -1.499 28.086 29.700 -0.192 0.000 1.494 296 E HN -0.179 7.696 8.360 -0.808 0.000 0.464 297 F N 0.366 120.319 119.950 0.004 0.000 2.375 297 F HA 0.072 nan 4.527 nan 0.000 0.317 297 F C 1.395 177.197 175.800 0.003 0.000 1.124 297 F CA -1.053 56.946 58.000 -0.001 0.000 1.050 297 F CB 0.214 39.210 39.000 -0.006 0.000 1.314 297 F HN -0.775 7.291 8.300 -0.251 0.084 0.511 298 G N -0.740 108.202 108.800 0.237 0.000 2.138 298 G HA2 -0.063 nan 3.960 nan 0.000 0.256 298 G HA3 -0.063 nan 3.960 nan 0.000 0.256 298 G C -1.740 173.214 174.900 0.090 0.000 1.141 298 G CA 0.747 45.919 45.100 0.120 0.000 0.967 298 G HN 0.351 8.814 8.290 0.289 0.000 0.435 299 A N 4.767 127.627 122.820 0.066 0.000 2.405 299 A HA 0.038 nan 4.320 nan 0.000 0.224 299 A C -1.210 176.399 177.584 0.041 0.000 1.245 299 A CA 0.785 52.855 52.037 0.055 0.000 1.203 299 A CB 1.108 20.145 19.000 0.063 0.000 1.108 299 A HN 0.159 8.345 8.150 0.060 0.000 0.451 300 T N 1.998 116.571 114.554 0.032 0.000 3.305 300 T HA 0.286 nan 4.350 nan 0.000 0.348 300 T C -0.867 173.840 174.700 0.012 0.000 1.394 300 T CA -0.221 61.890 62.100 0.019 0.000 1.549 300 T CB -0.666 68.210 68.868 0.014 0.000 0.962 300 T HN -0.045 8.216 8.240 0.036 0.000 0.609 301 T N 1.848 116.407 114.554 0.008 0.000 3.501 301 T HA -0.306 nan 4.350 nan 0.000 0.411 301 T C 0.515 175.220 174.700 0.009 0.000 0.766 301 T CA -0.248 61.854 62.100 0.003 0.000 2.129 301 T CB -1.588 67.278 68.868 -0.003 0.000 1.711 301 T HN 0.322 8.567 8.240 0.010 0.000 0.712 302 G N 0.044 108.853 108.800 0.014 0.000 2.357 302 G HA2 -0.354 nan 3.960 nan 0.000 0.282 302 G HA3 -0.354 nan 3.960 nan 0.000 0.282 302 G C -1.233 173.680 174.900 0.022 0.000 0.910 302 G CA 0.453 45.564 45.100 0.018 0.000 1.267 302 G HN 0.278 8.577 8.290 0.015 0.000 0.476 303 R N -2.194 118.324 120.500 0.031 0.000 2.712 303 R HA 0.148 nan 4.340 nan 0.000 0.272 303 R C -2.245 174.086 176.300 0.052 0.000 1.032 303 R CA -1.394 54.727 56.100 0.034 0.000 0.874 303 R CB 3.203 33.514 30.300 0.019 0.000 1.256 303 R HN -0.482 7.809 8.270 0.035 0.000 0.468 304 R N 0.757 121.290 120.500 0.056 0.000 2.459 304 R HA 0.205 nan 4.340 nan 0.000 0.281 304 R C -0.152 176.164 176.300 0.026 0.000 1.050 304 R CA -0.341 55.801 56.100 0.070 0.000 1.055 304 R CB 0.817 31.165 30.300 0.079 0.000 1.045 304 R HN 0.291 8.589 8.270 0.045 0.000 0.495 305 R N 4.228 124.733 120.500 0.008 0.000 2.441 305 R HA 0.016 nan 4.340 nan 0.000 0.284 305 R C 0.032 176.334 176.300 0.004 0.000 1.070 305 R CA -0.018 56.081 56.100 -0.002 0.000 1.047 305 R CB 0.669 30.968 30.300 -0.003 0.000 1.016 305 R HN -0.118 8.151 8.270 -0.001 0.000 0.477 306 R N 3.321 123.837 120.500 0.027 0.000 2.539 306 R HA 0.131 nan 4.340 nan 0.000 0.275 306 R C -0.647 175.764 176.300 0.185 0.000 1.077 306 R CA 0.235 56.370 56.100 0.057 0.000 1.097 306 R CB 0.809 31.182 30.300 0.121 0.000 1.018 306 R HN 0.559 8.834 8.270 0.008 0.000 0.483 307 T N -4.030 110.537 114.554 0.022 0.000 2.930 307 T HA 0.778 nan 4.350 nan 0.000 0.290 307 T C -1.338 173.247 174.700 -0.191 0.000 1.052 307 T CA -2.905 59.229 62.100 0.058 0.000 1.017 307 T CB 3.519 72.350 68.868 -0.060 0.000 1.137 307 T HN 0.089 8.239 8.240 -0.150 0.000 0.511 308 G N -0.526 108.261 108.800 -0.021 0.000 2.495 308 G HA2 0.560 nan 3.960 nan 0.000 0.294 308 G HA3 0.560 nan 3.960 nan 0.000 0.294 308 G C -2.458 172.479 174.900 0.061 0.000 1.397 308 G CA 0.538 45.503 45.100 -0.224 0.000 0.790 308 G HN -0.248 8.199 8.290 0.261 0.000 0.486 309 W N -1.874 119.527 121.300 0.168 0.000 2.093 309 W HA 0.184 nan 4.660 nan 0.000 0.352 309 W C 0.384 177.115 176.519 0.353 0.000 1.294 309 W CA -0.499 56.977 57.345 0.220 0.000 1.290 309 W CB 0.977 30.489 29.460 0.087 0.000 1.149 309 W HN -0.075 8.160 8.180 0.092 0.000 0.606 310 L N 0.943 122.549 121.223 0.639 0.000 2.490 310 L HA -0.042 nan 4.340 nan 0.000 0.274 310 L C -1.665 175.464 176.870 0.431 0.000 1.201 310 L CA 1.016 56.123 54.840 0.443 0.000 0.869 310 L CB 0.509 42.773 42.059 0.342 0.000 1.123 310 L HN 0.462 9.125 8.230 0.722 0.000 0.484 311 D N 6.223 126.850 120.400 0.380 0.000 2.460 311 D HA 0.270 nan 4.640 nan 0.000 0.232 311 D C 0.244 176.666 176.300 0.203 0.000 1.079 311 D CA -1.057 53.169 54.000 0.377 0.000 0.864 311 D CB 2.135 43.252 40.800 0.528 0.000 1.048 311 D HN 0.169 8.739 8.370 0.333 0.000 0.523 312 T N 1.069 115.708 114.554 0.142 0.000 3.118 312 T HA 0.037 nan 4.350 nan 0.000 0.260 312 T C 1.605 176.309 174.700 0.007 0.000 1.139 312 T CA 1.993 64.124 62.100 0.051 0.000 1.085 312 T CB -0.041 68.844 68.868 0.029 0.000 0.934 312 T HN 0.276 8.620 8.240 0.174 0.000 0.518 313 V N 2.219 122.119 119.914 -0.024 0.000 2.346 313 V HA -0.251 nan 4.120 nan 0.000 0.244 313 V C 1.391 177.436 176.094 -0.081 0.000 1.037 313 V CA 3.772 65.965 62.300 -0.179 0.000 1.029 313 V CB -1.016 30.441 31.823 -0.611 0.000 0.663 313 V HN 0.145 8.603 8.190 0.048 -0.239 0.454 314 A N -1.105 121.744 122.820 0.048 0.000 1.930 314 A HA -0.242 nan 4.320 nan 0.000 0.217 314 A C 2.066 179.622 177.584 -0.047 0.000 1.175 314 A CA 3.237 55.317 52.037 0.072 0.000 0.627 314 A CB -0.593 18.490 19.000 0.137 0.000 0.815 314 A HN -0.464 8.079 8.150 0.129 -0.315 0.443 315 V N -1.458 118.436 119.914 -0.034 0.000 2.515 315 V HA -0.397 nan 4.120 nan 0.000 0.250 315 V C 2.100 178.210 176.094 0.027 0.000 1.058 315 V CA 4.111 66.395 62.300 -0.027 0.000 1.064 315 V CB -0.952 30.848 31.823 -0.038 0.000 0.675 315 V HN 0.034 8.226 8.190 0.004 0.000 0.461 316 R N -1.924 118.583 120.500 0.011 0.000 2.235 316 R HA -0.230 nan 4.340 nan 0.000 0.213 316 R C 2.161 178.452 176.300 -0.016 0.000 1.059 316 R CA 3.178 59.281 56.100 0.005 0.000 0.997 316 R CB -0.247 30.043 30.300 -0.016 0.000 0.884 316 R HN -0.428 7.748 8.270 -0.004 0.092 0.462 317 R N -0.120 120.369 120.500 -0.018 0.000 2.075 317 R HA -0.160 nan 4.340 nan 0.000 0.226 317 R C 1.250 177.527 176.300 -0.038 0.000 1.114 317 R CA 2.255 58.345 56.100 -0.016 0.000 0.972 317 R CB -0.867 29.445 30.300 0.020 0.000 0.869 317 R HN -0.736 7.380 8.270 -0.017 0.144 0.437 318 A N -0.617 122.177 122.820 -0.044 0.000 1.902 318 A HA -0.231 nan 4.320 nan 0.000 0.217 318 A C 2.218 179.774 177.584 -0.048 0.000 1.181 318 A CA 3.234 55.240 52.037 -0.051 0.000 0.623 318 A CB -0.862 18.108 19.000 -0.050 0.000 0.818 318 A HN -0.545 7.578 8.150 -0.046 0.000 0.443 319 V N -0.515 119.382 119.914 -0.027 0.000 2.282 319 V HA -0.532 nan 4.120 nan 0.000 0.249 319 V C 2.144 178.177 176.094 -0.102 0.000 1.057 319 V CA 4.666 66.919 62.300 -0.079 0.000 1.032 319 V CB -0.984 30.800 31.823 -0.066 0.000 0.645 319 V HN 0.049 8.244 8.190 0.009 0.000 0.447 320 Q N -0.531 119.220 119.800 -0.082 0.000 2.079 320 Q HA -0.273 nan 4.340 nan 0.000 0.200 320 Q C 2.426 178.357 176.000 -0.114 0.000 0.974 320 Q CA 3.061 58.809 55.803 -0.091 0.000 0.840 320 Q CB -0.035 28.661 28.738 -0.071 0.000 0.898 320 Q HN -0.677 7.556 8.270 -0.061 0.000 0.430 321 L N -2.261 118.889 121.223 -0.121 0.000 2.141 321 L HA -0.266 nan 4.340 nan 0.000 0.209 321 L C 1.308 178.091 176.870 -0.145 0.000 1.094 321 L CA 2.329 57.068 54.840 -0.168 0.000 0.763 321 L CB 0.062 42.017 42.059 -0.174 0.000 0.908 321 L HN 0.141 8.311 8.230 -0.099 0.000 0.437 322 N N -3.930 114.699 118.700 -0.119 0.000 2.299 322 N HA 0.060 nan 4.740 nan 0.000 0.187 322 N C -0.176 175.249 175.510 -0.141 0.000 1.099 322 N CA 0.358 53.339 53.050 -0.115 0.000 0.867 322 N CB 1.091 39.522 38.487 -0.092 0.000 0.974 322 N HN -0.274 8.040 8.380 -0.110 0.000 0.477 323 S N -1.919 113.692 115.700 -0.147 0.000 3.628 323 S HA -0.512 nan 4.470 nan 0.000 0.373 323 S C -0.205 174.267 174.600 -0.213 0.000 0.968 323 S CA 1.115 59.217 58.200 -0.163 0.000 1.215 323 S CB -2.415 60.697 63.200 -0.147 0.000 0.912 323 S HN -0.325 7.795 8.310 -0.137 0.108 0.495 324 L N -1.564 119.514 121.223 -0.242 0.000 2.514 324 L HA -0.202 nan 4.340 nan 0.000 0.280 324 L C 0.964 177.577 176.870 -0.429 0.000 1.223 324 L CA 1.188 55.824 54.840 -0.340 0.000 0.864 324 L CB 0.264 42.081 42.059 -0.402 0.000 1.118 324 L HN -0.511 7.595 8.230 -0.208 0.000 0.494 325 S N 1.618 116.965 115.700 -0.589 0.000 2.468 325 S HA 0.237 nan 4.470 nan 0.000 0.226 325 S C -0.103 174.126 174.600 -0.618 0.000 1.051 325 S CA 1.508 59.281 58.200 -0.711 0.000 0.943 325 S CB 1.741 64.150 63.200 -1.318 0.000 0.810 325 S HN 0.902 8.723 8.310 -0.629 0.112 0.509 326 G N -2.965 105.469 108.800 -0.611 0.000 2.576 326 G HA2 0.367 nan 3.960 nan 0.000 0.290 326 G HA3 0.367 nan 3.960 nan 0.000 0.290 326 G C -3.157 171.573 174.900 -0.283 0.000 1.442 326 G CA 0.353 45.240 45.100 -0.355 0.000 0.792 326 G HN -0.780 7.112 8.290 -0.662 0.000 0.491 327 F N -1.413 118.532 119.950 -0.009 0.000 2.470 327 F HA 0.858 nan 4.527 nan 0.000 0.329 327 F C -1.422 174.388 175.800 0.017 0.000 1.072 327 F CA -2.592 55.404 58.000 -0.007 0.000 0.989 327 F CB 3.780 42.766 39.000 -0.024 0.000 1.193 327 F HN 0.472 8.757 8.300 -0.025 0.000 0.481 328 C N 3.637 123.082 119.300 0.242 0.000 2.293 328 C HA 0.685 nan 4.460 nan 0.000 0.323 328 C C -1.731 173.310 174.990 0.086 0.000 1.240 328 C CA -2.532 56.561 59.018 0.126 0.000 1.497 328 C CB 0.241 28.032 27.740 0.085 0.000 2.171 328 C HN 0.645 9.039 8.230 0.273 0.000 0.465 329 L N 10.414 131.673 121.223 0.060 0.000 2.319 329 L HA 0.629 nan 4.340 nan 0.000 0.280 329 L C -1.906 174.979 176.870 0.025 0.000 1.099 329 L CA -0.122 54.729 54.840 0.018 0.000 0.828 329 L CB 2.230 44.303 42.059 0.023 0.000 1.150 329 L HN 0.770 9.043 8.230 0.071 0.000 0.442 330 T N 2.392 116.956 114.554 0.017 0.000 2.924 330 T HA 0.638 nan 4.350 nan 0.000 0.291 330 T C -0.227 174.516 174.700 0.072 0.000 1.045 330 T CA -1.753 60.363 62.100 0.027 0.000 1.015 330 T CB 2.546 71.415 68.868 0.003 0.000 1.103 330 T HN 1.010 9.246 8.240 -0.007 0.000 0.496 331 K N -0.519 119.942 120.400 0.103 0.000 3.069 331 K HA -0.419 nan 4.320 nan 0.000 0.267 331 K C 1.167 177.934 176.600 0.277 0.000 1.082 331 K CA 1.325 57.730 56.287 0.197 0.000 0.782 331 K CB -2.529 30.125 32.500 0.257 0.000 1.230 331 K HN 0.753 9.044 8.250 0.068 0.000 0.488 332 L N -1.569 119.799 121.223 0.241 0.000 2.083 332 L HA -0.322 nan 4.340 nan 0.000 0.209 332 L C 0.540 177.635 176.870 0.376 0.000 1.083 332 L CA 3.494 58.532 54.840 0.330 0.000 0.752 332 L CB -0.486 41.728 42.059 0.259 0.000 0.899 332 L HN 0.259 8.568 8.230 0.171 0.023 0.433 333 D N -2.932 117.649 120.400 0.302 0.000 2.309 333 D HA -0.252 nan 4.640 nan 0.000 0.212 333 D C 1.910 178.352 176.300 0.236 0.000 0.968 333 D CA 2.388 56.579 54.000 0.319 0.000 0.882 333 D CB -0.956 40.042 40.800 0.331 0.000 0.918 333 D HN 0.221 8.717 8.370 0.240 0.017 0.503 334 V N 0.081 120.105 119.914 0.184 0.000 2.759 334 V HA -0.226 nan 4.120 nan 0.000 0.256 334 V C 0.793 176.878 176.094 -0.016 0.000 1.080 334 V CA 2.108 64.414 62.300 0.010 0.000 1.101 334 V CB -0.515 31.287 31.823 -0.035 0.000 0.698 334 V HN -0.586 7.587 8.190 0.244 0.164 0.477 335 L N -5.737 115.541 121.223 0.091 0.000 2.592 335 L HA 0.141 nan 4.340 nan 0.000 0.227 335 L C -0.317 176.418 176.870 -0.225 0.000 1.127 335 L CA -0.492 54.323 54.840 -0.042 0.000 0.884 335 L CB -0.341 41.659 42.059 -0.098 0.000 1.065 335 L HN -0.348 7.854 8.230 0.211 0.155 0.457 336 D N 0.341 120.753 120.400 0.020 0.000 2.493 336 D HA -0.185 nan 4.640 nan 0.000 0.240 336 D C 1.161 177.436 176.300 -0.041 0.000 1.142 336 D CA 2.207 56.206 54.000 -0.002 0.000 0.872 336 D CB -0.358 40.589 40.800 0.245 0.000 1.173 336 D HN -0.586 7.681 8.370 0.161 0.200 0.467 337 G N 2.304 110.993 108.800 -0.185 0.000 2.195 337 G HA2 -0.509 nan 3.960 nan 0.000 0.246 337 G HA3 -0.509 nan 3.960 nan 0.000 0.246 337 G C -0.722 174.020 174.900 -0.264 0.000 0.984 337 G CA 0.141 45.166 45.100 -0.125 0.000 0.633 337 G HN 0.999 8.986 8.290 -0.331 0.105 0.525 338 L N -0.810 120.197 121.223 -0.360 0.000 2.453 338 L HA -0.045 nan 4.340 nan 0.000 0.261 338 L C 0.322 177.004 176.870 -0.314 0.000 1.179 338 L CA -0.219 54.397 54.840 -0.373 0.000 0.813 338 L CB 0.379 42.259 42.059 -0.300 0.000 1.110 338 L HN -0.742 7.179 8.230 -0.415 0.061 0.466 339 K N -1.916 118.342 120.400 -0.237 0.000 2.262 339 K HA -0.096 nan 4.320 nan 0.000 0.200 339 K C 0.130 176.632 176.600 -0.163 0.000 1.049 339 K CA 1.699 57.883 56.287 -0.172 0.000 0.979 339 K CB 0.285 32.707 32.500 -0.129 0.000 0.773 339 K HN 0.373 8.483 8.250 -0.233 0.000 0.474 340 E N -3.408 116.681 120.200 -0.186 0.000 2.383 340 E HA 0.591 nan 4.350 nan 0.000 0.275 340 E C -1.668 174.753 176.600 -0.299 0.000 0.918 340 E CA -1.617 54.663 56.400 -0.200 0.000 0.764 340 E CB 3.566 33.171 29.700 -0.159 0.000 1.252 340 E HN -0.698 7.554 8.360 -0.180 0.000 0.449 341 V N 1.401 121.092 119.914 -0.372 0.000 2.680 341 V HA 0.384 nan 4.120 nan 0.000 0.309 341 V C -1.712 173.981 176.094 -0.669 0.000 1.052 341 V CA -1.438 60.517 62.300 -0.575 0.000 0.908 341 V CB 3.675 35.188 31.823 -0.517 0.000 1.001 341 V HN 1.206 9.105 8.190 -0.270 0.129 0.431 342 K N 4.134 123.790 120.400 -1.241 0.000 2.259 342 K HA 0.829 nan 4.320 nan 0.000 0.252 342 K C -1.579 174.753 176.600 -0.446 0.000 0.936 342 K CA -1.082 54.634 56.287 -0.951 0.000 0.810 342 K CB 2.971 34.522 32.500 -1.582 0.000 1.143 342 K HN -0.014 6.995 8.250 -2.068 0.000 0.427 343 L N 0.508 121.709 121.223 -0.036 0.000 2.381 343 L HA 0.512 nan 4.340 nan 0.000 0.274 343 L C -1.339 175.725 176.870 0.323 0.000 0.988 343 L CA -1.731 53.227 54.840 0.197 0.000 0.824 343 L CB 3.695 45.846 42.059 0.154 0.000 1.263 343 L HN 0.518 8.724 8.230 -0.041 0.000 0.410 344 C N 6.018 125.578 119.300 0.433 0.000 2.482 344 C HA 0.371 nan 4.460 nan 0.000 0.378 344 C C 0.858 175.945 174.990 0.162 0.000 1.284 344 C CA -0.190 59.016 59.018 0.313 0.000 1.826 344 C CB -0.617 27.315 27.740 0.319 0.000 2.473 344 C HN 0.388 8.890 8.230 0.453 0.000 0.562 345 V N 2.873 122.840 119.914 0.088 0.000 3.643 345 V HA 0.519 nan 4.120 nan 0.000 0.280 345 V C -1.773 174.315 176.094 -0.011 0.000 1.351 345 V CA -0.973 61.349 62.300 0.036 0.000 1.073 345 V CB 0.536 32.379 31.823 0.033 0.000 0.863 345 V HN 0.772 9.006 8.190 0.073 0.000 0.436 346 A N -1.081 121.739 122.820 0.001 0.000 2.586 346 A HA 0.616 nan 4.320 nan 0.000 0.290 346 A C -3.028 174.641 177.584 0.141 0.000 1.086 346 A CA 0.332 52.357 52.037 -0.019 0.000 0.665 346 A CB 2.354 21.348 19.000 -0.010 0.000 1.279 346 A HN -0.729 7.440 8.150 0.031 0.000 0.423 347 Y N -1.904 118.354 120.300 -0.069 0.000 2.393 347 Y HA 0.765 nan 4.550 nan 0.000 0.341 347 Y C -1.789 174.057 175.900 -0.091 0.000 0.988 347 Y CA -3.145 54.898 58.100 -0.095 0.000 1.078 347 Y CB 3.996 42.376 38.460 -0.134 0.000 1.203 347 Y HN 0.710 9.017 8.280 0.044 0.000 0.453 348 R N 3.425 123.953 120.500 0.048 0.000 2.265 348 R HA 0.670 nan 4.340 nan 0.000 0.328 348 R C -0.956 175.325 176.300 -0.031 0.000 0.969 348 R CA -1.647 54.454 56.100 0.002 0.000 0.832 348 R CB 2.013 32.305 30.300 -0.014 0.000 1.139 348 R HN 1.081 9.245 8.270 0.005 0.109 0.457 349 M N 7.206 126.790 119.600 -0.027 0.000 2.228 349 M HA 0.250 nan 4.480 nan 0.000 0.326 349 M C -1.082 175.197 176.300 -0.035 0.000 1.122 349 M CA -2.225 53.046 55.300 -0.048 0.000 1.161 349 M CB -1.511 31.065 32.600 -0.040 0.000 1.437 349 M HN 1.190 9.345 8.290 -0.013 0.127 0.465 350 P HA -0.142 nan 4.420 nan 0.000 0.219 350 P C -1.173 176.120 177.300 -0.012 0.000 1.146 350 P CA 1.875 64.964 63.100 -0.020 0.000 0.808 350 P CB -0.296 31.397 31.700 -0.012 0.000 0.779 351 D N -5.190 115.203 120.400 -0.012 0.000 2.538 351 D HA -0.030 nan 4.640 nan 0.000 0.234 351 D C 0.833 177.128 176.300 -0.007 0.000 1.191 351 D CA -0.776 53.220 54.000 -0.007 0.000 0.828 351 D CB -1.379 39.418 40.800 -0.004 0.000 0.981 351 D HN -0.292 8.048 8.370 -0.016 0.021 0.490 352 G N -0.317 108.477 108.800 -0.009 0.000 2.205 352 G HA2 -0.462 nan 3.960 nan 0.000 0.269 352 G HA3 -0.462 nan 3.960 nan 0.000 0.269 352 G C -1.035 173.861 174.900 -0.007 0.000 0.977 352 G CA 0.580 45.676 45.100 -0.007 0.000 0.652 352 G HN -0.322 7.851 8.290 -0.011 0.110 0.539 353 R N 0.559 121.054 120.500 -0.009 0.000 2.401 353 R HA 0.011 nan 4.340 nan 0.000 0.299 353 R C -1.410 174.886 176.300 -0.006 0.000 1.064 353 R CA 0.250 56.345 56.100 -0.008 0.000 1.000 353 R CB 0.671 30.965 30.300 -0.010 0.000 0.973 353 R HN -0.184 7.968 8.270 -0.011 0.112 0.438 354 E N 5.520 125.718 120.200 -0.004 0.000 2.092 354 E HA 0.476 nan 4.350 nan 0.000 0.271 354 E C -0.844 175.752 176.600 -0.007 0.000 0.919 354 E CA -0.575 55.825 56.400 0.001 0.000 0.760 354 E CB 1.100 30.800 29.700 -0.000 0.000 1.106 354 E HN 0.168 8.525 8.360 -0.005 0.000 0.408 355 V N -0.049 119.862 119.914 -0.006 0.000 2.815 355 V HA 0.589 nan 4.120 nan 0.000 0.314 355 V C -0.224 175.820 176.094 -0.083 0.000 1.064 355 V CA -2.421 59.856 62.300 -0.037 0.000 0.952 355 V CB 2.885 34.684 31.823 -0.040 0.000 1.020 355 V HN 0.506 8.708 8.190 0.020 0.000 0.439 356 T N -2.678 111.817 114.554 -0.099 0.000 3.040 356 T HA 0.229 nan 4.350 nan 0.000 0.266 356 T C -0.203 174.398 174.700 -0.165 0.000 1.005 356 T CA 0.141 62.161 62.100 -0.134 0.000 0.906 356 T CB 0.428 69.249 68.868 -0.080 0.000 1.082 356 T HN 0.312 8.508 8.240 -0.073 0.000 0.531 357 T N 4.215 118.681 114.554 -0.147 0.000 2.918 357 T HA 0.279 nan 4.350 nan 0.000 0.286 357 T C -0.184 174.428 174.700 -0.147 0.000 1.026 357 T CA -0.596 61.435 62.100 -0.115 0.000 1.031 357 T CB 2.334 71.171 68.868 -0.052 0.000 1.046 357 T HN -0.532 7.634 8.240 -0.123 0.000 0.479 358 T N 0.578 115.087 114.554 -0.075 0.000 2.916 358 T HA 0.295 nan 4.350 nan 0.000 0.303 358 T C -0.225 174.529 174.700 0.090 0.000 1.025 358 T CA -2.672 59.452 62.100 0.040 0.000 1.142 358 T CB -0.530 68.519 68.868 0.302 0.000 0.947 358 T HN 0.257 8.477 8.240 -0.033 0.000 0.544 359 P HA 0.149 nan 4.420 nan 0.000 0.274 359 P C -0.567 176.873 177.300 0.233 0.000 1.256 359 P CA -0.766 62.340 63.100 0.010 0.000 0.795 359 P CB 0.733 32.303 31.700 -0.216 0.000 1.038 360 L N -1.086 120.257 121.223 0.201 0.000 2.483 360 L HA -0.217 nan 4.340 nan 0.000 0.277 360 L C 1.656 178.820 176.870 0.490 0.000 1.248 360 L CA 0.045 55.048 54.840 0.272 0.000 0.825 360 L CB 0.001 42.161 42.059 0.168 0.000 1.096 360 L HN 0.284 8.583 8.230 0.116 0.000 0.512 361 A N 2.400 125.468 122.820 0.413 0.000 2.014 361 A HA -0.173 nan 4.320 nan 0.000 0.218 361 A C 0.487 178.305 177.584 0.390 0.000 1.163 361 A CA 2.396 54.686 52.037 0.422 0.000 0.652 361 A CB -0.611 18.537 19.000 0.247 0.000 0.808 361 A HN 0.509 8.828 8.150 0.282 0.000 0.449 362 A N -3.651 119.340 122.820 0.284 0.000 2.276 362 A HA 0.114 nan 4.320 nan 0.000 0.212 362 A C -0.694 177.021 177.584 0.220 0.000 1.230 362 A CA -0.024 52.145 52.037 0.221 0.000 0.844 362 A CB -0.671 18.415 19.000 0.142 0.000 0.860 362 A HN -0.134 8.142 8.150 0.238 0.017 0.486 363 D N -0.660 119.914 120.400 0.290 0.000 2.332 363 D HA 0.085 nan 4.640 nan 0.000 0.252 363 D C -1.372 175.050 176.300 0.204 0.000 1.050 363 D CA -1.020 53.083 54.000 0.171 0.000 0.970 363 D CB 2.824 43.653 40.800 0.047 0.000 1.141 363 D HN -0.682 7.755 8.370 0.429 0.191 0.485 364 D N 2.187 122.640 120.400 0.089 0.000 2.598 364 D HA -0.138 nan 4.640 nan 0.000 0.231 364 D C 0.737 177.091 176.300 0.091 0.000 1.127 364 D CA 0.282 54.343 54.000 0.101 0.000 1.126 364 D CB -1.352 39.478 40.800 0.049 0.000 1.124 364 D HN 0.207 8.602 8.370 0.042 0.000 0.485 365 W N 1.211 122.551 121.300 0.066 0.000 2.480 365 W HA -0.334 nan 4.660 nan 0.000 0.257 365 W C 0.669 177.193 176.519 0.008 0.000 1.235 365 W CA 2.261 59.634 57.345 0.047 0.000 1.218 365 W CB -0.225 29.287 29.460 0.088 0.000 1.131 365 W HN 0.387 8.817 8.180 0.505 0.053 0.606 366 K N -2.884 117.634 120.400 0.196 0.000 2.211 366 K HA -0.023 nan 4.320 nan 0.000 0.201 366 K C 1.321 177.950 176.600 0.048 0.000 1.052 366 K CA 1.267 57.622 56.287 0.113 0.000 0.973 366 K CB -0.523 32.032 32.500 0.092 0.000 0.766 366 K HN -0.719 7.735 8.250 0.189 -0.091 0.466 367 G N -0.347 108.468 108.800 0.025 0.000 3.124 367 G HA2 0.066 nan 3.960 nan 0.000 0.212 367 G HA3 0.066 nan 3.960 nan 0.000 0.212 367 G C -1.380 173.488 174.900 -0.053 0.000 1.181 367 G CA -0.514 44.579 45.100 -0.011 0.000 0.803 367 G HN -0.236 8.217 8.290 0.040 -0.139 0.529 368 V N -4.902 114.957 119.914 -0.092 0.000 2.530 368 V HA 0.301 nan 4.120 nan 0.000 0.282 368 V C -0.879 175.116 176.094 -0.165 0.000 1.048 368 V CA -1.352 60.831 62.300 -0.195 0.000 0.997 368 V CB -0.224 31.345 31.823 -0.423 0.000 0.987 368 V HN -0.939 7.126 8.190 -0.052 0.093 0.477 369 E N 5.921 126.032 120.200 -0.147 0.000 2.187 369 E HA 0.632 nan 4.350 nan 0.000 0.268 369 E C -2.438 174.073 176.600 -0.148 0.000 0.896 369 E CA -3.845 52.489 56.400 -0.109 0.000 0.766 369 E CB 2.344 32.011 29.700 -0.055 0.000 1.142 369 E HN 0.481 8.762 8.360 -0.131 0.000 0.408 370 P HA 0.497 nan 4.420 nan 0.000 0.284 370 P C -1.287 175.780 177.300 -0.388 0.000 1.253 370 P CA -0.682 62.250 63.100 -0.280 0.000 0.800 370 P CB 0.795 32.213 31.700 -0.471 0.000 0.961 371 I N 3.719 124.150 120.570 -0.233 0.000 2.312 371 I HA 0.166 nan 4.170 nan 0.000 0.290 371 I C -1.129 174.885 176.117 -0.171 0.000 1.008 371 I CA -1.892 59.312 61.300 -0.160 0.000 1.226 371 I CB -0.420 37.558 38.000 -0.036 0.000 1.371 371 I HN 0.764 8.822 8.210 -0.082 0.102 0.468 372 Y N 6.389 126.719 120.300 0.051 0.000 2.432 372 Y HA 0.342 nan 4.550 nan 0.000 0.322 372 Y C -0.495 175.395 175.900 -0.015 0.000 1.246 372 Y CA -1.712 56.393 58.100 0.010 0.000 1.268 372 Y CB 1.542 39.975 38.460 -0.044 0.000 1.276 372 Y HN 0.260 8.541 8.280 0.002 0.000 0.499 373 E N 1.553 121.855 120.200 0.171 0.000 2.185 373 E HA 0.396 nan 4.350 nan 0.000 0.261 373 E C -1.314 175.284 176.600 -0.003 0.000 0.879 373 E CA -1.391 55.051 56.400 0.070 0.000 0.756 373 E CB 3.189 32.928 29.700 0.065 0.000 1.152 373 E HN 0.488 8.976 8.360 0.213 0.000 0.416 374 T N 0.522 115.051 114.554 -0.043 0.000 2.907 374 T HA 0.753 nan 4.350 nan 0.000 0.284 374 T C -0.806 173.851 174.700 -0.072 0.000 1.004 374 T CA -1.701 60.320 62.100 -0.131 0.000 1.063 374 T CB 0.927 69.711 68.868 -0.140 0.000 0.992 374 T HN 0.295 8.527 8.240 -0.013 0.000 0.483 375 M N -1.608 117.938 119.600 -0.090 0.000 2.569 375 M HA 0.561 nan 4.480 nan 0.000 0.279 375 M C -3.189 173.088 176.300 -0.038 0.000 1.253 375 M CA -2.401 52.888 55.300 -0.019 0.000 0.867 375 M CB 1.495 34.133 32.600 0.063 0.000 1.727 375 M HN 0.998 9.072 8.290 -0.170 0.114 0.467 376 P HA -0.101 nan 4.420 nan 0.000 0.264 376 P C -0.444 176.869 177.300 0.021 0.000 1.193 376 P CA 0.444 63.551 63.100 0.011 0.000 0.763 376 P CB -0.143 31.591 31.700 0.057 0.000 0.810 377 G N 1.444 110.180 108.800 -0.107 0.000 2.504 377 G HA2 0.279 nan 3.960 nan 0.000 0.257 377 G HA3 0.279 nan 3.960 nan 0.000 0.257 377 G C -1.810 173.058 174.900 -0.053 0.000 1.451 377 G CA -0.945 43.957 45.100 -0.330 0.000 1.059 377 G HN 0.483 8.586 8.290 -0.116 0.118 0.550 378 W N -6.297 114.987 121.300 -0.027 0.000 3.296 378 W HA 0.419 nan 4.660 nan 0.000 0.314 378 W C -1.368 175.155 176.519 0.006 0.000 1.238 378 W CA -1.311 56.031 57.345 -0.006 0.000 1.193 378 W CB 0.793 30.256 29.460 0.005 0.000 1.383 378 W HN -0.343 7.283 8.180 -0.923 0.000 0.545 379 S N 0.737 116.554 115.700 0.195 0.000 2.492 379 S HA -0.117 nan 4.470 nan 0.000 0.218 379 S C -0.389 174.323 174.600 0.187 0.000 1.016 379 S CA 0.845 59.116 58.200 0.118 0.000 0.916 379 S CB 0.097 63.340 63.200 0.073 0.000 0.791 379 S HN 0.004 8.455 8.310 0.235 0.000 0.513 380 E N 2.018 122.375 120.200 0.261 0.000 2.383 380 E HA 0.004 nan 4.350 nan 0.000 0.264 380 E C -0.905 175.859 176.600 0.274 0.000 1.050 380 E CA -0.780 55.746 56.400 0.210 0.000 0.896 380 E CB 0.429 30.215 29.700 0.143 0.000 0.982 380 E HN -0.424 8.122 8.360 0.311 0.000 0.424 381 S N -0.555 115.261 115.700 0.193 0.000 2.523 381 S HA -0.009 nan 4.470 nan 0.000 0.275 381 S C 0.370 175.090 174.600 0.199 0.000 1.281 381 S CA -0.104 58.223 58.200 0.213 0.000 1.050 381 S CB 0.615 63.914 63.200 0.165 0.000 0.937 381 S HN -0.200 8.198 8.310 0.146 0.000 0.492 382 T N 4.467 119.166 114.554 0.241 0.000 3.092 382 T HA 0.235 nan 4.350 nan 0.000 0.258 382 T C -0.195 174.602 174.700 0.161 0.000 1.031 382 T CA -1.332 60.859 62.100 0.151 0.000 0.925 382 T CB 0.191 69.120 68.868 0.102 0.000 1.036 382 T HN 1.007 10.087 8.240 0.316 -0.651 0.544 383 F N 3.547 123.547 119.950 0.084 0.000 2.495 383 F HA -0.345 nan 4.527 nan 0.000 0.365 383 F C 0.446 176.274 175.800 0.048 0.000 1.090 383 F CA 1.370 59.410 58.000 0.067 0.000 1.235 383 F CB 0.371 39.409 39.000 0.062 0.000 1.119 383 F HN -0.844 7.610 8.300 0.365 0.065 0.562 384 G N 6.397 114.885 108.800 -0.520 0.000 2.196 384 G HA2 -0.345 nan 3.960 nan 0.000 0.268 384 G HA3 -0.345 nan 3.960 nan 0.000 0.268 384 G C -0.718 174.133 174.900 -0.081 0.000 0.975 384 G CA 0.316 45.258 45.100 -0.262 0.000 0.648 384 G HN 0.610 8.223 8.290 -0.943 0.111 0.538 385 V N 0.502 120.385 119.914 -0.051 0.000 2.673 385 V HA -0.225 nan 4.120 nan 0.000 0.303 385 V C 0.745 176.814 176.094 -0.041 0.000 1.046 385 V CA 1.152 63.439 62.300 -0.022 0.000 1.126 385 V CB -0.109 31.703 31.823 -0.017 0.000 0.934 385 V HN -0.985 7.104 8.190 -0.059 0.065 0.487 386 K N 2.699 123.085 120.400 -0.025 0.000 2.374 386 K HA 0.181 nan 4.320 nan 0.000 0.202 386 K C -1.470 175.119 176.600 -0.018 0.000 1.040 386 K CA -0.028 56.244 56.287 -0.024 0.000 1.085 386 K CB 1.164 33.654 32.500 -0.016 0.000 0.873 386 K HN 0.190 8.432 8.250 -0.013 0.000 0.539 387 D N -3.106 117.283 120.400 -0.018 0.000 2.661 387 D HA 0.196 nan 4.640 nan 0.000 0.228 387 D C -0.086 176.200 176.300 -0.022 0.000 1.210 387 D CA -1.737 52.253 54.000 -0.016 0.000 0.826 387 D CB 2.236 43.031 40.800 -0.010 0.000 1.542 387 D HN -0.790 7.569 8.370 -0.019 0.000 0.447 388 R N 2.163 122.649 120.500 -0.023 0.000 2.249 388 R HA -0.264 nan 4.340 nan 0.000 0.230 388 R C 1.878 178.157 176.300 -0.035 0.000 1.121 388 R CA 2.707 58.788 56.100 -0.032 0.000 0.997 388 R CB -0.003 30.281 30.300 -0.027 0.000 0.867 388 R HN 0.550 8.809 8.270 -0.018 0.000 0.465 389 S N 0.653 116.338 115.700 -0.024 0.000 2.406 389 S HA -0.140 nan 4.470 nan 0.000 0.228 389 S C 1.421 176.007 174.600 -0.023 0.000 1.020 389 S CA 3.034 61.222 58.200 -0.020 0.000 0.965 389 S CB -0.250 62.943 63.200 -0.011 0.000 0.798 389 S HN 0.023 8.605 8.310 -0.019 -0.282 0.488 390 G N -0.586 108.202 108.800 -0.022 0.000 2.679 390 G HA2 -0.116 nan 3.960 nan 0.000 0.212 390 G HA3 -0.116 nan 3.960 nan 0.000 0.212 390 G C -1.122 173.757 174.900 -0.036 0.000 1.137 390 G CA 0.106 45.196 45.100 -0.017 0.000 0.787 390 G HN -0.510 7.748 8.290 -0.021 0.020 0.534 391 L N 1.874 123.057 121.223 -0.066 0.000 2.325 391 L HA 0.305 nan 4.340 nan 0.000 0.279 391 L C -1.500 175.285 176.870 -0.142 0.000 1.054 391 L CA -2.754 52.009 54.840 -0.129 0.000 0.804 391 L CB 0.591 42.557 42.059 -0.155 0.000 1.200 391 L HN -0.673 7.342 8.230 -0.059 0.180 0.436 392 P HA 0.101 nan 4.420 nan 0.000 0.274 392 P C -0.383 176.820 177.300 -0.162 0.000 1.231 392 P CA -1.145 61.866 63.100 -0.149 0.000 0.790 392 P CB 1.472 33.089 31.700 -0.138 0.000 0.951 393 Q N 2.555 122.314 119.800 -0.069 0.000 2.234 393 Q HA -0.286 nan 4.340 nan 0.000 0.206 393 Q C 1.906 177.886 176.000 -0.033 0.000 0.980 393 Q CA 3.306 59.083 55.803 -0.043 0.000 0.869 393 Q CB -0.843 27.892 28.738 -0.005 0.000 0.912 393 Q HN 0.579 8.829 8.270 -0.035 0.000 0.436 394 A N -2.599 120.220 122.820 -0.001 0.000 1.969 394 A HA -0.161 nan 4.320 nan 0.000 0.218 394 A C 1.553 179.126 177.584 -0.018 0.000 1.169 394 A CA 2.393 54.498 52.037 0.113 0.000 0.635 394 A CB -1.113 18.087 19.000 0.333 0.000 0.810 394 A HN 0.365 8.496 8.150 0.009 0.024 0.445 395 A N -0.753 121.776 122.820 -0.486 0.000 1.872 395 A HA -0.181 nan 4.320 nan 0.000 0.214 395 A C 1.832 179.270 177.584 -0.244 0.000 1.187 395 A CA 2.740 54.273 52.037 -0.841 0.000 0.614 395 A CB -0.666 17.619 19.000 -1.191 0.000 0.826 395 A HN -0.378 7.356 8.150 -0.456 0.143 0.442 396 L N -2.563 118.557 121.223 -0.173 0.000 2.127 396 L HA -0.526 nan 4.340 nan 0.000 0.211 396 L C 2.387 179.256 176.870 -0.002 0.000 1.089 396 L CA 3.088 57.887 54.840 -0.069 0.000 0.757 396 L CB -0.940 41.084 42.059 -0.058 0.000 0.899 396 L HN -0.185 7.914 8.230 -0.219 0.000 0.434 397 N N -0.508 118.209 118.700 0.029 0.000 2.188 397 N HA -0.254 nan 4.740 nan 0.000 0.184 397 N C 2.060 177.654 175.510 0.140 0.000 1.018 397 N CA 2.866 55.962 53.050 0.077 0.000 0.858 397 N CB -0.559 37.982 38.487 0.091 0.000 0.989 397 N HN -0.261 8.028 8.380 0.004 0.093 0.426 398 Y N 2.356 122.686 120.300 0.050 0.000 2.114 398 Y HA -0.338 nan 4.550 nan 0.000 0.284 398 Y C 1.735 177.668 175.900 0.055 0.000 1.143 398 Y CA 3.596 61.754 58.100 0.098 0.000 1.135 398 Y CB 0.009 38.599 38.460 0.216 0.000 0.980 398 Y HN -0.563 7.793 8.280 0.266 0.083 0.499 399 I N -1.363 119.236 120.570 0.049 0.000 2.113 399 I HA -0.740 nan 4.170 nan 0.000 0.242 399 I C 1.783 177.866 176.117 -0.056 0.000 1.064 399 I CA 4.358 65.629 61.300 -0.049 0.000 1.320 399 I CB -0.241 37.759 38.000 -0.000 0.000 1.028 399 I HN 0.198 8.504 8.210 0.160 0.000 0.406 400 K N -1.037 119.355 120.400 -0.014 0.000 2.063 400 K HA -0.376 nan 4.320 nan 0.000 0.208 400 K C 2.099 178.688 176.600 -0.018 0.000 1.048 400 K CA 2.590 58.873 56.287 -0.007 0.000 0.928 400 K CB -0.457 32.047 32.500 0.008 0.000 0.713 400 K HN 0.039 8.182 8.250 0.006 0.111 0.442 401 R N -1.001 119.482 120.500 -0.028 0.000 2.096 401 R HA -0.233 nan 4.340 nan 0.000 0.235 401 R C 2.629 178.887 176.300 -0.070 0.000 1.127 401 R CA 2.409 58.489 56.100 -0.033 0.000 0.968 401 R CB -0.793 29.503 30.300 -0.007 0.000 0.861 401 R HN -0.119 7.973 8.270 -0.008 0.174 0.440 402 I N -0.564 119.916 120.570 -0.150 0.000 2.226 402 I HA -0.541 nan 4.170 nan 0.000 0.245 402 I C 2.050 178.157 176.117 -0.017 0.000 1.100 402 I CA 4.201 65.412 61.300 -0.149 0.000 1.374 402 I CB -0.332 37.497 38.000 -0.284 0.000 1.057 402 I HN 0.015 8.089 8.210 -0.206 0.012 0.413 403 E N -0.672 119.538 120.200 0.016 0.000 2.150 403 E HA -0.342 nan 4.350 nan 0.000 0.193 403 E C 2.805 179.429 176.600 0.041 0.000 0.985 403 E CA 3.384 59.829 56.400 0.075 0.000 0.814 403 E CB -0.589 29.143 29.700 0.055 0.000 0.752 403 E HN -0.434 7.914 8.360 -0.020 0.000 0.466 404 E N 0.216 120.425 120.200 0.015 0.000 2.072 404 E HA -0.245 nan 4.350 nan 0.000 0.190 404 E C 2.230 178.836 176.600 0.009 0.000 0.982 404 E CA 2.587 58.992 56.400 0.008 0.000 0.803 404 E CB -0.025 29.677 29.700 0.004 0.000 0.755 404 E HN -0.533 7.733 8.360 0.004 0.096 0.453 405 L N -2.952 118.276 121.223 0.009 0.000 2.291 405 L HA -0.146 nan 4.340 nan 0.000 0.214 405 L C 1.573 178.456 176.870 0.022 0.000 1.120 405 L CA 2.287 57.132 54.840 0.009 0.000 0.799 405 L CB 0.394 42.455 42.059 0.003 0.000 0.925 405 L HN -0.057 8.174 8.230 0.001 0.000 0.446 406 T N -7.599 106.988 114.554 0.054 0.000 3.034 406 T HA 0.173 nan 4.350 nan 0.000 0.248 406 T C 1.378 176.103 174.700 0.041 0.000 1.040 406 T CA 0.941 63.095 62.100 0.089 0.000 1.107 406 T CB 1.086 70.106 68.868 0.254 0.000 0.932 406 T HN -0.188 8.063 8.240 0.061 0.026 0.474 407 G N 1.533 110.348 108.800 0.024 0.000 2.175 407 G HA2 -0.338 nan 3.960 nan 0.000 0.244 407 G HA3 -0.338 nan 3.960 nan 0.000 0.244 407 G C -1.016 173.844 174.900 -0.067 0.000 0.982 407 G CA 0.181 45.267 45.100 -0.023 0.000 0.641 407 G HN -0.114 8.091 8.290 0.043 0.111 0.527 408 V N 2.032 121.898 119.914 -0.080 0.000 2.555 408 V HA 0.347 nan 4.120 nan 0.000 0.302 408 V C -2.394 173.631 176.094 -0.115 0.000 1.038 408 V CA -2.944 59.220 62.300 -0.226 0.000 0.887 408 V CB 1.834 33.289 31.823 -0.613 0.000 0.991 408 V HN -0.649 7.497 8.190 0.018 0.055 0.434 409 P HA 0.199 nan 4.420 nan 0.000 0.274 409 P C -1.331 176.013 177.300 0.073 0.000 1.231 409 P CA -1.356 61.744 63.100 0.000 0.000 0.790 409 P CB 1.268 32.961 31.700 -0.011 0.000 0.951 410 I N 1.428 122.082 120.570 0.140 0.000 2.287 410 I HA -0.095 nan 4.170 nan 0.000 0.290 410 I C -0.555 175.624 176.117 0.103 0.000 1.069 410 I CA 0.419 61.828 61.300 0.182 0.000 1.237 410 I CB -0.034 38.051 38.000 0.141 0.000 1.418 410 I HN 0.445 9.140 8.210 0.105 -0.421 0.481 411 D N 6.513 126.977 120.400 0.106 0.000 2.305 411 D HA 0.081 nan 4.640 nan 0.000 0.206 411 D C -0.678 175.650 176.300 0.048 0.000 0.974 411 D CA 1.887 55.932 54.000 0.074 0.000 0.871 411 D CB 1.619 42.483 40.800 0.107 0.000 0.947 411 D HN 0.204 8.657 8.370 0.138 0.000 0.516 412 I N -2.483 118.123 120.570 0.059 0.000 2.686 412 I HA 0.451 nan 4.170 nan 0.000 0.295 412 I C -2.177 173.963 176.117 0.037 0.000 1.114 412 I CA -0.564 60.756 61.300 0.033 0.000 1.038 412 I CB 4.580 42.593 38.000 0.023 0.000 1.238 412 I HN -0.594 7.671 8.210 0.091 0.000 0.420 413 I N 4.856 125.436 120.570 0.017 0.000 2.411 413 I HA 0.404 nan 4.170 nan 0.000 0.284 413 I C -1.459 174.653 176.117 -0.008 0.000 1.012 413 I CA -1.187 60.119 61.300 0.011 0.000 1.119 413 I CB 1.704 39.707 38.000 0.004 0.000 1.261 413 I HN 0.858 8.964 8.210 0.008 0.109 0.448 414 S N 7.355 123.050 115.700 -0.008 0.000 2.399 414 S HA 0.413 nan 4.470 nan 0.000 0.301 414 S C 0.375 174.939 174.600 -0.060 0.000 1.093 414 S CA -0.913 57.267 58.200 -0.033 0.000 1.077 414 S CB 0.936 64.124 63.200 -0.020 0.000 0.980 414 S HN 0.192 8.505 8.310 0.006 0.000 0.494 415 T N 1.089 115.575 114.554 -0.114 0.000 3.086 415 T HA 0.394 nan 4.350 nan 0.000 0.250 415 T C -0.549 173.881 174.700 -0.450 0.000 1.074 415 T CA -1.113 60.871 62.100 -0.193 0.000 0.988 415 T CB 0.601 69.367 68.868 -0.171 0.000 0.988 415 T HN 0.299 8.473 8.240 -0.111 0.000 0.530 416 G N 0.289 108.865 108.800 -0.373 0.000 2.441 416 G HA2 0.360 nan 3.960 nan 0.000 0.294 416 G HA3 0.360 nan 3.960 nan 0.000 0.294 416 G C -2.638 172.157 174.900 -0.176 0.000 1.393 416 G CA 0.083 44.877 45.100 -0.511 0.000 0.796 416 G HN -0.851 7.253 8.290 -0.217 0.056 0.494 417 P HA -0.073 nan 4.420 nan 0.000 0.220 417 P C -0.789 176.517 177.300 0.010 0.000 1.152 417 P CA 0.964 64.074 63.100 0.016 0.000 0.812 417 P CB 0.711 32.461 31.700 0.083 0.000 0.792 418 D N -0.106 120.298 120.400 0.007 0.000 2.399 418 D HA -0.068 nan 4.640 nan 0.000 0.241 418 D C 1.960 178.257 176.300 -0.004 0.000 1.133 418 D CA -0.353 53.655 54.000 0.013 0.000 0.890 418 D CB 2.268 43.081 40.800 0.022 0.000 1.201 418 D HN 0.015 8.813 8.370 -0.005 -0.431 0.432 419 R N 3.312 123.817 120.500 0.008 0.000 2.159 419 R HA -0.271 nan 4.340 nan 0.000 0.237 419 R C 1.717 178.015 176.300 -0.003 0.000 1.131 419 R CA 2.820 58.923 56.100 0.006 0.000 0.982 419 R CB -0.340 29.970 30.300 0.016 0.000 0.868 419 R HN 0.385 8.665 8.270 0.016 0.000 0.453 420 T N -4.105 110.447 114.554 -0.004 0.000 3.055 420 T HA 0.008 nan 4.350 nan 0.000 0.265 420 T C 1.256 175.940 174.700 -0.026 0.000 1.111 420 T CA 1.941 64.036 62.100 -0.008 0.000 1.118 420 T CB -0.560 68.308 68.868 0.000 0.000 0.909 420 T HN 0.446 9.081 8.240 0.001 -0.394 0.501 421 E N 2.974 123.145 120.200 -0.048 0.000 2.346 421 E HA 0.086 nan 4.350 nan 0.000 0.317 421 E C -1.816 174.735 176.600 -0.081 0.000 1.404 421 E CA -0.526 55.819 56.400 -0.092 0.000 1.534 421 E CB -1.414 28.180 29.700 -0.176 0.000 1.309 421 E HN -0.333 7.812 8.360 -0.042 0.190 0.499 422 T N 1.361 115.886 114.554 -0.049 0.000 2.993 422 T HA 0.390 nan 4.350 nan 0.000 0.312 422 T C -1.330 173.356 174.700 -0.023 0.000 1.115 422 T CA -0.529 61.551 62.100 -0.034 0.000 1.027 422 T CB 2.362 71.218 68.868 -0.020 0.000 1.116 422 T HN 0.046 8.201 8.240 -0.039 0.061 0.464 423 M N 5.728 125.316 119.600 -0.019 0.000 2.044 423 M HA 0.352 nan 4.480 nan 0.000 0.333 423 M C -1.324 174.972 176.300 -0.007 0.000 1.004 423 M CA -0.914 54.379 55.300 -0.013 0.000 0.954 423 M CB 2.367 34.958 32.600 -0.014 0.000 1.468 423 M HN 0.956 9.122 8.290 -0.020 0.111 0.414 424 I N 4.905 125.471 120.570 -0.007 0.000 2.276 424 I HA 0.017 nan 4.170 nan 0.000 0.290 424 I C -0.146 175.967 176.117 -0.008 0.000 1.109 424 I CA 0.035 61.330 61.300 -0.009 0.000 1.229 424 I CB -0.856 37.137 38.000 -0.012 0.000 1.452 424 I HN 0.628 8.834 8.210 -0.007 0.000 0.497 425 L N 5.813 127.035 121.223 -0.002 0.000 2.291 425 L HA -0.145 nan 4.340 nan 0.000 0.214 425 L C 0.627 177.496 176.870 -0.002 0.000 1.120 425 L CA 2.237 57.078 54.840 0.002 0.000 0.799 425 L CB 0.051 42.116 42.059 0.010 0.000 0.925 425 L HN 0.505 8.737 8.230 0.003 0.000 0.446 426 R N -4.456 116.037 120.500 -0.012 0.000 2.676 426 R HA 0.102 nan 4.340 nan 0.000 0.241 426 R C -1.495 174.758 176.300 -0.078 0.000 0.964 426 R CA -0.366 55.719 56.100 -0.026 0.000 1.054 426 R CB 2.779 33.080 30.300 0.002 0.000 1.603 426 R HN -0.628 7.598 8.270 -0.014 0.035 0.577 427 D N 0.233 120.567 120.400 -0.109 0.000 4.543 427 D HA -0.151 nan 4.640 nan 0.000 0.236 427 D C -1.362 174.728 176.300 -0.351 0.000 1.047 427 D CA 0.230 54.129 54.000 -0.168 0.000 1.254 427 D CB 0.045 40.799 40.800 -0.077 0.000 0.762 427 D HN -0.155 8.166 8.370 -0.082 0.000 0.381 428 P HA -0.209 nan 4.420 nan 0.000 0.217 428 P C 0.089 176.870 177.300 -0.864 0.000 1.151 428 P CA 2.149 64.487 63.100 -1.270 0.000 0.849 428 P CB 0.162 31.102 31.700 -1.266 0.000 0.787 429 F N -4.731 114.921 119.950 -0.496 0.000 2.748 429 F HA -0.116 nan 4.527 nan 0.000 0.299 429 F C 1.064 176.629 175.800 -0.393 0.000 1.154 429 F CA 1.862 59.518 58.000 -0.574 0.000 1.446 429 F CB -0.205 38.269 39.000 -0.877 0.000 1.112 429 F HN 0.224 8.633 8.300 -0.397 -0.347 0.584 430 D N -0.593 119.745 120.400 -0.102 0.000 2.290 430 D HA -0.022 nan 4.640 nan 0.000 0.224 430 D C 0.428 176.714 176.300 -0.022 0.000 0.967 430 D CA 0.860 54.844 54.000 -0.026 0.000 0.893 430 D CB 0.247 41.036 40.800 -0.019 0.000 1.037 430 D HN -0.394 7.723 8.370 -0.168 0.153 0.477 431 A N 0.000 122.779 122.820 -0.069 0.000 2.254 431 A HA 0.000 nan 4.320 nan 0.000 0.244 431 A CA 0.000 52.042 52.037 0.008 0.000 0.836 431 A CB 0.000 19.030 19.000 0.050 0.000 0.831 431 A HN 0.000 8.064 8.150 -0.144 0.000 0.486