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 1tah_1_D DATA FIRST_RESID 2 DATA SEQUENCE DTYAATRYPV ILVHGLAGTD KFANVVDYWY GIQSDLQSHG AKVYVANLSG DATA SEQUENCE FQSDDGPNGR GEQLLAYVKQ VLAATGATKV NLIGHSQGGL TSRYVAAVAP DATA SEQUENCE QLVASVTTIG TPHRGSEFAD FVQDVLKTDP TGLSSTVIAA FVNVFGTLVS DATA SEQUENCE SSHNTDQDAL AALRTLTTAQ TATYNRNFPS AGLGAPGScQ TGAATETVGG DATA SEQUENCE SQHLLYSWGG TAIQPTSTVL GVTGATDTST GTLDVANVTD PSTLALLATG DATA SEQUENCE AVMINRASGQ NDGLVSRcSS LFGQVISTSY HWNHLDEINQ LLGVRGANAE DATA SEQUENCE DPVAVIRTHV NRLKLQGV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.336 176.300 0.061 0.000 2.045 2 D CA 0.000 54.007 54.000 0.011 0.000 0.868 2 D CB 0.000 40.821 40.800 0.035 0.000 0.688 3 T N -3.718 110.895 114.554 0.097 0.000 3.084 3 T HA 0.107 4.457 4.350 -0.000 0.000 0.270 3 T C 1.324 176.094 174.700 0.117 0.000 1.008 3 T CA -0.046 62.105 62.100 0.084 0.000 0.900 3 T CB -0.598 68.296 68.868 0.043 0.000 1.084 3 T HN 0.367 nan 8.240 nan 0.000 0.538 4 Y N 3.075 123.422 120.300 0.079 0.000 2.096 4 Y HA -0.119 4.431 4.550 0.000 0.000 0.278 4 Y C 2.074 177.995 175.900 0.035 0.000 1.192 4 Y CA 1.684 59.826 58.100 0.070 0.000 1.143 4 Y CB -0.460 38.080 38.460 0.133 0.000 0.963 4 Y HN 0.393 nan 8.280 nan 0.000 0.505 5 A N -0.717 122.123 122.820 0.034 0.000 2.610 5 A HA 0.672 4.992 4.320 -0.000 0.000 0.286 5 A C 0.562 178.133 177.584 -0.021 0.000 1.306 5 A CA 0.147 52.150 52.037 -0.057 0.000 0.942 5 A CB -0.932 18.128 19.000 0.100 0.000 1.112 5 A HN 0.408 nan 8.150 nan 0.000 0.527 6 A N 1.528 124.332 122.820 -0.027 0.000 2.774 6 A HA 0.524 4.844 4.320 -0.000 0.000 0.326 6 A C 0.913 178.468 177.584 -0.049 0.000 1.478 6 A CA 0.142 52.169 52.037 -0.017 0.000 1.099 6 A CB -1.041 17.957 19.000 -0.003 0.000 1.148 6 A HN 0.602 nan 8.150 nan 0.000 0.519 7 T N -0.989 113.538 114.554 -0.044 0.000 2.748 7 T HA 0.186 4.536 4.350 -0.000 0.000 0.304 7 T C 1.206 175.854 174.700 -0.087 0.000 1.041 7 T CA -0.043 62.024 62.100 -0.055 0.000 1.033 7 T CB 0.863 69.725 68.868 -0.009 0.000 0.995 7 T HN 0.627 nan 8.240 nan 0.000 0.536 8 R N -0.485 119.904 120.500 -0.185 0.000 2.093 8 R HA 0.054 4.394 4.340 -0.000 0.000 0.224 8 R C -0.301 175.790 176.300 -0.349 0.000 1.101 8 R CA 0.605 56.483 56.100 -0.369 0.000 0.979 8 R CB 0.010 29.916 30.300 -0.657 0.000 0.877 8 R HN 0.692 nan 8.270 nan 0.000 0.441 9 Y N 0.584 120.897 120.300 0.021 0.000 2.409 9 Y HA 0.437 4.987 4.550 -0.000 0.000 0.339 9 Y C -2.124 173.797 175.900 0.035 0.000 1.033 9 Y CA -3.686 54.429 58.100 0.024 0.000 1.094 9 Y CB 0.983 39.458 38.460 0.025 0.000 1.210 9 Y HN 0.016 nan 8.280 nan 0.000 0.456 10 P HA -0.017 nan 4.420 nan 0.000 0.266 10 P C -0.806 176.590 177.300 0.161 0.000 1.193 10 P CA 0.091 63.301 63.100 0.185 0.000 0.770 10 P CB 0.528 32.325 31.700 0.161 0.000 0.836 11 V N 4.699 124.706 119.914 0.155 0.000 2.472 11 V HA 0.374 4.494 4.120 -0.000 0.000 0.290 11 V C 0.411 176.577 176.094 0.119 0.000 1.037 11 V CA -0.274 62.086 62.300 0.101 0.000 0.908 11 V CB 1.086 32.940 31.823 0.051 0.000 0.985 11 V HN 0.371 nan 8.190 nan 0.000 0.454 12 I N 5.296 125.912 120.570 0.077 0.000 2.466 12 I HA 0.412 4.582 4.170 -0.000 0.000 0.289 12 I C -0.739 175.352 176.117 -0.042 0.000 1.026 12 I CA -0.489 60.872 61.300 0.102 0.000 1.078 12 I CB 1.919 40.016 38.000 0.161 0.000 1.249 12 I HN 0.335 nan 8.210 nan 0.000 0.429 13 L N 6.973 128.091 121.223 -0.175 0.000 2.257 13 L HA 0.423 4.763 4.340 -0.000 0.000 0.290 13 L C -0.500 176.294 176.870 -0.126 0.000 1.044 13 L CA -0.738 53.791 54.840 -0.518 0.000 0.810 13 L CB 1.295 42.670 42.059 -1.141 0.000 1.193 13 L HN 0.300 nan 8.230 nan 0.000 0.425 14 V N 3.542 123.530 119.914 0.125 0.000 2.294 14 V HA 0.146 4.266 4.120 -0.000 0.000 0.272 14 V C 0.271 176.664 176.094 0.497 0.000 1.027 14 V CA -0.858 61.603 62.300 0.269 0.000 0.823 14 V CB 0.371 32.289 31.823 0.158 0.000 1.030 14 V HN 0.675 nan 8.190 nan 0.000 0.457 15 H N 2.948 122.148 119.070 0.217 0.000 2.852 15 H HA 0.320 4.876 4.556 -0.000 0.000 0.362 15 H C 0.894 176.111 175.328 -0.185 0.000 1.122 15 H CA 0.082 55.977 56.048 -0.256 0.000 1.419 15 H CB 1.371 30.543 29.762 -0.984 0.000 1.401 15 H HN 0.497 nan 8.280 nan 0.000 0.609 16 G N 2.447 111.126 108.800 -0.202 0.000 2.789 16 G HA2 0.111 4.071 3.960 -0.000 0.000 0.207 16 G HA3 0.111 4.071 3.960 -0.000 0.000 0.207 16 G C 0.501 175.309 174.900 -0.152 0.000 1.153 16 G CA -0.403 44.622 45.100 -0.126 0.000 0.847 16 G HN 0.506 nan 8.290 nan 0.000 0.615 17 L N 2.052 123.348 121.223 0.123 0.000 2.385 17 L HA 0.578 4.918 4.340 -0.000 0.000 0.281 17 L C 0.260 177.172 176.870 0.069 0.000 1.106 17 L CA -0.388 54.616 54.840 0.273 0.000 0.856 17 L CB 0.987 43.302 42.059 0.426 0.000 1.186 17 L HN 0.296 nan 8.230 nan 0.000 0.453 18 A N 2.748 125.642 122.820 0.124 0.000 2.566 18 A HA 0.912 5.232 4.320 -0.000 0.000 0.292 18 A C -0.287 177.457 177.584 0.267 0.000 1.112 18 A CA -0.055 52.014 52.037 0.053 0.000 0.707 18 A CB 1.584 20.487 19.000 -0.161 0.000 1.302 18 A HN 0.640 nan 8.150 nan 0.000 0.409 19 G N -1.301 107.598 108.800 0.164 0.000 3.209 19 G HA2 0.512 4.472 3.960 -0.000 0.000 0.236 19 G HA3 0.512 4.472 3.960 -0.000 0.000 0.236 19 G C 0.690 175.586 174.900 -0.007 0.000 1.329 19 G CA 0.567 45.758 45.100 0.151 0.000 1.015 19 G HN 1.192 nan 8.290 nan 0.000 0.571 20 T N -1.970 112.535 114.554 -0.082 0.000 3.035 20 T HA 0.062 4.412 4.350 -0.000 0.000 0.259 20 T C 0.723 175.242 174.700 -0.301 0.000 1.078 20 T CA 0.689 62.688 62.100 -0.168 0.000 1.132 20 T CB -0.010 68.816 68.868 -0.069 0.000 0.900 20 T HN 0.356 nan 8.240 nan 0.000 0.480 21 D N 1.823 121.950 120.400 -0.455 0.000 2.363 21 D HA 0.133 4.773 4.640 -0.000 0.000 0.263 21 D C 1.024 177.134 176.300 -0.317 0.000 1.258 21 D CA 0.071 53.779 54.000 -0.486 0.000 0.907 21 D CB 0.831 41.322 40.800 -0.514 0.000 1.107 21 D HN 0.207 nan 8.370 nan 0.000 0.495 22 K N 2.655 122.798 120.400 -0.428 0.000 2.026 22 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 22 K C 0.838 177.332 176.600 -0.176 0.000 1.048 22 K CA 0.917 56.986 56.287 -0.363 0.000 0.929 22 K CB -0.080 32.075 32.500 -0.576 0.000 0.713 22 K HN 0.435 nan 8.250 nan 0.000 0.439 23 F N 1.077 121.004 119.950 -0.039 0.000 2.811 23 F HA 0.228 4.755 4.527 -0.000 0.000 0.292 23 F C 0.690 176.471 175.800 -0.032 0.000 1.240 23 F CA -1.046 56.937 58.000 -0.027 0.000 1.422 23 F CB -1.285 37.705 39.000 -0.018 0.000 1.045 23 F HN -0.086 nan 8.300 nan 0.000 0.512 24 A N 0.089 122.958 122.820 0.082 0.000 2.256 24 A HA 0.406 4.726 4.320 -0.000 0.000 0.318 24 A C 0.581 178.190 177.584 0.041 0.000 1.103 24 A CA -0.743 51.317 52.037 0.038 0.000 0.860 24 A CB 0.331 19.319 19.000 -0.019 0.000 1.182 24 A HN 0.144 nan 8.150 nan 0.000 0.501 25 N N 0.921 119.640 118.700 0.032 0.000 2.598 25 N HA 0.053 4.793 4.740 -0.000 0.000 0.300 25 N C 0.529 176.063 175.510 0.039 0.000 1.224 25 N CA 0.214 53.285 53.050 0.035 0.000 1.125 25 N CB -0.283 38.224 38.487 0.033 0.000 1.468 25 N HN 0.269 nan 8.380 nan 0.000 0.504 26 V N 1.756 121.674 119.914 0.007 0.000 3.354 26 V HA -0.029 4.091 4.120 -0.000 0.000 0.258 26 V C 1.957 178.066 176.094 0.026 0.000 1.159 26 V CA 0.410 62.684 62.300 -0.043 0.000 1.125 26 V CB 0.119 31.816 31.823 -0.211 0.000 0.774 26 V HN 0.415 nan 8.190 nan 0.000 0.464 27 V N 0.273 120.208 119.914 0.035 0.000 3.217 27 V HA -0.082 4.038 4.120 -0.000 0.000 0.264 27 V C 1.480 177.626 176.094 0.087 0.000 1.135 27 V CA 1.611 63.942 62.300 0.051 0.000 1.142 27 V CB -0.224 31.608 31.823 0.014 0.000 0.754 27 V HN 0.552 nan 8.190 nan 0.000 0.484 28 D N -1.992 118.478 120.400 0.117 0.000 2.363 28 D HA 0.019 4.659 4.640 -0.000 0.000 0.214 28 D C 1.321 177.758 176.300 0.228 0.000 1.093 28 D CA 0.069 54.164 54.000 0.159 0.000 0.837 28 D CB 0.328 41.240 40.800 0.188 0.000 0.948 28 D HN 0.576 nan 8.370 nan 0.000 0.507 29 Y N -0.019 120.320 120.300 0.065 0.000 2.133 29 Y HA -0.138 4.412 4.550 0.000 0.000 0.287 29 Y C 0.321 176.131 175.900 -0.150 0.000 1.134 29 Y CA 1.167 59.229 58.100 -0.063 0.000 1.133 29 Y CB 0.076 38.494 38.460 -0.070 0.000 0.987 29 Y HN -0.135 nan 8.280 nan 0.000 0.502 30 W N 0.816 122.221 121.300 0.174 0.000 1.912 30 W HA 0.168 4.828 4.660 0.000 0.000 0.399 30 W C -0.824 175.710 176.519 0.026 0.000 0.800 30 W CA -0.878 56.497 57.345 0.050 0.000 1.593 30 W CB -1.064 28.448 29.460 0.086 0.000 1.769 30 W HN -0.020 nan 8.180 nan 0.000 0.281 31 Y N 2.302 122.594 120.300 -0.012 0.000 2.770 31 Y HA 0.216 4.766 4.550 -0.000 0.000 0.342 31 Y C 1.513 177.416 175.900 0.005 0.000 1.221 31 Y CA 1.600 59.684 58.100 -0.027 0.000 1.560 31 Y CB 0.221 38.615 38.460 -0.111 0.000 1.213 31 Y HN 0.695 nan 8.280 nan 0.000 0.525 32 G N 4.619 113.247 108.800 -0.286 0.000 2.184 32 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.264 32 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.264 32 G C 0.887 175.769 174.900 -0.030 0.000 0.975 32 G CA 0.653 45.636 45.100 -0.194 0.000 0.642 32 G HN 0.705 nan 8.290 nan 0.000 0.536 33 I N -0.070 120.530 120.570 0.050 0.000 2.494 33 I HA -0.007 4.163 4.170 -0.000 0.000 0.250 33 I C 2.620 178.763 176.117 0.043 0.000 1.112 33 I CA 1.571 62.925 61.300 0.091 0.000 1.438 33 I CB -0.226 37.900 38.000 0.210 0.000 1.111 33 I HN 0.358 nan 8.210 nan 0.000 0.431 34 Q N 1.033 120.843 119.800 0.017 0.000 2.084 34 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 34 Q C 2.270 178.253 176.000 -0.028 0.000 0.978 34 Q CA 2.467 58.252 55.803 -0.031 0.000 0.844 34 Q CB 0.026 28.734 28.738 -0.050 0.000 0.898 34 Q HN 0.592 nan 8.270 nan 0.000 0.426 35 S N 0.279 115.961 115.700 -0.029 0.000 2.356 35 S HA -0.212 4.258 4.470 -0.000 0.000 0.223 35 S C 1.552 176.157 174.600 0.009 0.000 1.032 35 S CA 1.446 59.628 58.200 -0.029 0.000 1.005 35 S CB -0.657 62.514 63.200 -0.047 0.000 0.867 35 S HN 0.567 nan 8.310 nan 0.000 0.449 36 D N 1.418 121.842 120.400 0.040 0.000 2.123 36 D HA -0.075 4.565 4.640 -0.000 0.000 0.196 36 D C 1.884 178.310 176.300 0.210 0.000 0.992 36 D CA 1.174 55.246 54.000 0.120 0.000 0.833 36 D CB -0.302 40.562 40.800 0.107 0.000 0.954 36 D HN 0.400 nan 8.370 nan 0.000 0.455 37 L N -0.162 121.136 121.223 0.124 0.000 2.056 37 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 37 L C 2.681 179.615 176.870 0.107 0.000 1.078 37 L CA 1.006 55.922 54.840 0.126 0.000 0.749 37 L CB -0.429 41.661 42.059 0.052 0.000 0.901 37 L HN 0.176 nan 8.230 nan 0.000 0.433 38 Q N -0.590 119.232 119.800 0.036 0.000 2.084 38 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 38 Q C 2.354 178.350 176.000 -0.006 0.000 0.978 38 Q CA 1.776 57.577 55.803 -0.004 0.000 0.844 38 Q CB -0.094 28.617 28.738 -0.045 0.000 0.898 38 Q HN 0.429 nan 8.270 nan 0.000 0.426 39 S N 0.115 115.803 115.700 -0.020 0.000 2.419 39 S HA -0.149 4.321 4.470 -0.000 0.000 0.235 39 S C 1.043 175.485 174.600 -0.263 0.000 1.019 39 S CA 1.205 59.323 58.200 -0.137 0.000 0.982 39 S CB -0.192 62.908 63.200 -0.167 0.000 0.789 39 S HN 0.463 nan 8.310 nan 0.000 0.490 40 H N -0.305 118.790 119.070 0.041 0.000 2.529 40 H HA 0.372 4.928 4.556 -0.000 0.000 0.277 40 H C 1.488 176.861 175.328 0.075 0.000 1.004 40 H CA 0.379 56.481 56.048 0.089 0.000 1.167 40 H CB 0.203 30.070 29.762 0.176 0.000 1.445 40 H HN 0.428 nan 8.280 nan 0.000 0.554 41 G N -0.275 108.579 108.800 0.090 0.000 2.179 41 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.220 41 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.220 41 G C 0.444 175.368 174.900 0.040 0.000 0.990 41 G CA -0.086 45.044 45.100 0.050 0.000 0.646 41 G HN 0.621 nan 8.290 nan 0.000 0.517 42 A N 0.057 122.908 122.820 0.051 0.000 2.371 42 A HA 0.670 4.990 4.320 -0.000 0.000 0.257 42 A C 0.469 178.055 177.584 0.003 0.000 1.089 42 A CA 0.479 52.533 52.037 0.029 0.000 0.794 42 A CB 0.559 19.581 19.000 0.036 0.000 1.029 42 A HN 0.498 nan 8.150 nan 0.000 0.488 43 K N 2.466 122.876 120.400 0.017 0.000 2.299 43 K HA 0.504 4.824 4.320 -0.000 0.000 0.268 43 K C -1.410 175.184 176.600 -0.009 0.000 1.075 43 K CA -0.224 56.062 56.287 -0.003 0.000 0.936 43 K CB 0.559 33.115 32.500 0.093 0.000 1.228 43 K HN 0.445 nan 8.250 nan 0.000 0.454 44 V N 5.298 125.104 119.914 -0.180 0.000 2.459 44 V HA 0.399 4.518 4.120 -0.000 0.000 0.295 44 V C -1.088 174.796 176.094 -0.350 0.000 1.029 44 V CA -0.765 61.451 62.300 -0.141 0.000 0.874 44 V CB 1.073 32.827 31.823 -0.115 0.000 0.985 44 V HN 0.579 nan 8.190 nan 0.000 0.438 45 Y N 2.888 123.198 120.300 0.017 0.000 2.391 45 Y HA 0.655 5.205 4.550 0.000 0.000 0.341 45 Y C -0.025 175.942 175.900 0.112 0.000 0.965 45 Y CA -1.008 57.157 58.100 0.107 0.000 1.067 45 Y CB 2.316 40.851 38.460 0.126 0.000 1.199 45 Y HN 0.524 nan 8.280 nan 0.000 0.450 46 V N 0.503 120.526 119.914 0.183 0.000 2.459 46 V HA 0.974 5.094 4.120 -0.000 0.000 0.295 46 V C -0.180 175.800 176.094 -0.190 0.000 1.029 46 V CA -0.906 61.389 62.300 -0.008 0.000 0.874 46 V CB 1.039 32.834 31.823 -0.047 0.000 0.985 46 V HN 0.894 nan 8.190 nan 0.000 0.438 47 A N 4.032 126.669 122.820 -0.305 0.000 2.327 47 A HA 0.684 5.004 4.320 -0.000 0.000 0.283 47 A C 0.013 177.311 177.584 -0.476 0.000 1.127 47 A CA -0.432 51.211 52.037 -0.656 0.000 0.810 47 A CB 0.531 19.326 19.000 -0.342 0.000 1.066 47 A HN 1.040 nan 8.150 nan 0.000 0.492 48 N N 1.654 120.080 118.700 -0.457 0.000 2.407 48 N HA 0.514 5.254 4.740 -0.000 0.000 0.277 48 N C -0.771 174.702 175.510 -0.062 0.000 0.995 48 N CA -0.463 52.402 53.050 -0.309 0.000 0.903 48 N CB 1.012 39.383 38.487 -0.194 0.000 1.218 48 N HN 0.487 nan 8.380 nan 0.000 0.487 49 L N 1.355 122.712 121.223 0.223 0.000 3.358 49 L HA 0.322 4.662 4.340 -0.000 0.000 0.301 49 L C 0.124 177.184 176.870 0.316 0.000 1.276 49 L CA -0.272 54.716 54.840 0.247 0.000 1.028 49 L CB 0.401 42.558 42.059 0.163 0.000 1.421 49 L HN 0.302 nan 8.230 nan 0.000 0.604 50 S N 0.604 116.452 115.700 0.246 0.000 2.562 50 S HA 0.384 4.854 4.470 -0.000 0.000 0.281 50 S C 1.266 175.873 174.600 0.012 0.000 1.333 50 S CA 0.727 58.997 58.200 0.116 0.000 1.052 50 S CB 1.119 64.352 63.200 0.056 0.000 0.884 50 S HN 0.655 nan 8.310 nan 0.000 0.506 51 G N 1.202 109.922 108.800 -0.133 0.000 2.176 51 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.253 51 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.253 51 G C -0.236 174.204 174.900 -0.767 0.000 0.979 51 G CA -0.306 44.556 45.100 -0.398 0.000 0.641 51 G HN 0.521 nan 8.290 nan 0.000 0.530 52 F N -0.286 119.633 119.950 -0.052 0.000 2.532 52 F HA 0.671 5.198 4.527 -0.000 0.000 0.321 52 F C 0.989 176.747 175.800 -0.071 0.000 1.089 52 F CA -0.443 57.520 58.000 -0.061 0.000 0.926 52 F CB 2.018 40.975 39.000 -0.070 0.000 1.168 52 F HN 0.018 nan 8.300 nan 0.000 0.459 53 Q N 0.880 120.712 119.800 0.053 0.000 2.389 53 Q HA 0.141 4.481 4.340 -0.000 0.000 0.201 53 Q C 0.230 176.212 176.000 -0.030 0.000 0.956 53 Q CA 0.382 56.180 55.803 -0.009 0.000 0.871 53 Q CB 0.535 29.253 28.738 -0.033 0.000 0.990 53 Q HN 0.761 nan 8.270 nan 0.000 0.554 54 S N -0.012 115.673 115.700 -0.024 0.000 2.722 54 S HA 0.249 4.719 4.470 -0.000 0.000 0.292 54 S C 0.007 174.544 174.600 -0.106 0.000 1.135 54 S CA -0.701 57.459 58.200 -0.068 0.000 1.003 54 S CB 1.127 64.308 63.200 -0.031 0.000 1.067 54 S HN 0.194 nan 8.310 nan 0.000 0.546 55 D N 0.736 121.029 120.400 -0.177 0.000 2.259 55 D HA -0.036 4.604 4.640 -0.000 0.000 0.216 55 D C 0.863 176.960 176.300 -0.339 0.000 0.961 55 D CA 1.000 54.835 54.000 -0.276 0.000 0.878 55 D CB -0.291 40.309 40.800 -0.332 0.000 1.009 55 D HN 0.800 nan 8.370 nan 0.000 0.490 56 D N 0.991 121.365 120.400 -0.043 0.000 2.328 56 D HA 0.061 4.701 4.640 -0.000 0.000 0.221 56 D C 1.084 177.477 176.300 0.157 0.000 1.072 56 D CA -0.236 53.863 54.000 0.164 0.000 0.850 56 D CB -0.427 40.719 40.800 0.577 0.000 0.922 56 D HN -0.058 nan 8.370 nan 0.000 0.516 57 G N 1.802 110.627 108.800 0.042 0.000 2.699 57 G HA2 0.180 4.140 3.960 -0.000 0.000 0.246 57 G HA3 0.180 4.140 3.960 -0.000 0.000 0.246 57 G C -0.915 174.024 174.900 0.064 0.000 1.219 57 G CA -0.687 44.453 45.100 0.066 0.000 0.866 57 G HN 0.019 nan 8.290 nan 0.000 0.572 58 P HA -0.088 nan 4.420 nan 0.000 0.219 58 P C 0.487 177.815 177.300 0.047 0.000 1.150 58 P CA 1.016 64.161 63.100 0.074 0.000 0.814 58 P CB 0.369 32.114 31.700 0.074 0.000 0.787 59 N N 0.061 118.798 118.700 0.061 0.000 2.886 59 N HA 0.386 5.126 4.740 -0.000 0.000 0.285 59 N C -0.338 175.268 175.510 0.159 0.000 1.706 59 N CA -0.372 52.736 53.050 0.096 0.000 0.904 59 N CB 0.289 38.864 38.487 0.147 0.000 1.224 59 N HN -0.030 nan 8.380 nan 0.000 0.488 60 G N -0.062 108.735 108.800 -0.005 0.000 3.013 60 G HA2 0.278 4.238 3.960 -0.000 0.000 0.278 60 G HA3 0.278 4.238 3.960 -0.000 0.000 0.278 60 G C 0.563 175.309 174.900 -0.257 0.000 1.353 60 G CA -0.582 44.508 45.100 -0.017 0.000 1.043 60 G HN 0.322 nan 8.290 nan 0.000 0.523 61 R N -0.692 119.697 120.500 -0.184 0.000 2.091 61 R HA -0.088 4.252 4.340 -0.000 0.000 0.238 61 R C 2.697 178.788 176.300 -0.349 0.000 1.136 61 R CA 1.749 57.697 56.100 -0.252 0.000 0.959 61 R CB -0.477 29.741 30.300 -0.137 0.000 0.856 61 R HN 0.569 nan 8.270 nan 0.000 0.437 62 G N 1.015 109.493 108.800 -0.537 0.000 2.440 62 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 62 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 62 G C 1.223 175.890 174.900 -0.388 0.000 1.154 62 G CA 0.574 45.244 45.100 -0.717 0.000 0.767 62 G HN 0.213 nan 8.290 nan 0.000 0.552 63 E N 0.241 120.190 120.200 -0.419 0.000 2.106 63 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 63 E C 2.810 179.309 176.600 -0.168 0.000 0.984 63 E CA 0.651 56.964 56.400 -0.146 0.000 0.806 63 E CB -0.167 29.458 29.700 -0.125 0.000 0.750 63 E HN 0.378 nan 8.360 nan 0.000 0.458 64 Q N 0.434 120.039 119.800 -0.326 0.000 2.020 64 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 64 Q C 2.387 178.311 176.000 -0.127 0.000 0.982 64 Q CA 0.764 56.364 55.803 -0.339 0.000 0.838 64 Q CB -0.764 27.610 28.738 -0.606 0.000 0.899 64 Q HN 0.231 nan 8.270 nan 0.000 0.423 65 L N 0.603 121.767 121.223 -0.098 0.000 2.046 65 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 65 L C 2.182 179.097 176.870 0.074 0.000 1.077 65 L CA 1.382 56.237 54.840 0.025 0.000 0.747 65 L CB -0.773 41.296 42.059 0.017 0.000 0.896 65 L HN 0.199 nan 8.230 nan 0.000 0.432 66 L N -0.930 120.326 121.223 0.055 0.000 2.012 66 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 66 L C 2.544 179.436 176.870 0.037 0.000 1.073 66 L CA 1.604 56.485 54.840 0.068 0.000 0.748 66 L CB -0.567 41.552 42.059 0.101 0.000 0.891 66 L HN 0.452 nan 8.230 nan 0.000 0.431 67 A N -0.902 121.933 122.820 0.026 0.000 1.865 67 A HA -0.330 3.990 4.320 -0.000 0.000 0.217 67 A C 2.110 179.720 177.584 0.042 0.000 1.191 67 A CA 1.870 53.920 52.037 0.022 0.000 0.623 67 A CB -1.168 17.838 19.000 0.011 0.000 0.826 67 A HN 0.548 nan 8.150 nan 0.000 0.444 68 Y N 0.641 120.910 120.300 -0.052 0.000 2.165 68 Y HA -0.206 4.344 4.550 0.000 0.000 0.286 68 Y C 2.436 178.294 175.900 -0.070 0.000 1.155 68 Y CA 1.769 59.838 58.100 -0.051 0.000 1.164 68 Y CB -0.465 37.972 38.460 -0.039 0.000 0.978 68 Y HN 0.065 nan 8.280 nan 0.000 0.513 69 V N 0.451 120.329 119.914 -0.060 0.000 2.343 69 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 69 V C 2.279 178.262 176.094 -0.186 0.000 1.051 69 V CA 2.348 64.562 62.300 -0.143 0.000 1.036 69 V CB -0.520 31.281 31.823 -0.037 0.000 0.654 69 V HN 0.354 nan 8.190 nan 0.000 0.451 70 K N -0.541 119.788 120.400 -0.119 0.000 2.097 70 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 70 K C 2.265 178.773 176.600 -0.153 0.000 1.049 70 K CA 1.401 57.624 56.287 -0.108 0.000 0.933 70 K CB -0.179 32.288 32.500 -0.055 0.000 0.717 70 K HN 0.569 nan 8.250 nan 0.000 0.442 71 Q N 0.317 120.000 119.800 -0.195 0.000 2.046 71 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 71 Q C 2.242 178.039 176.000 -0.338 0.000 0.975 71 Q CA 1.300 56.972 55.803 -0.219 0.000 0.836 71 Q CB -0.143 28.477 28.738 -0.197 0.000 0.896 71 Q HN 0.094 nan 8.270 nan 0.000 0.428 72 V N 1.584 121.162 119.914 -0.561 0.000 2.287 72 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 72 V C 2.305 178.122 176.094 -0.461 0.000 1.053 72 V CA 1.653 63.503 62.300 -0.751 0.000 1.027 72 V CB -0.605 30.642 31.823 -0.959 0.000 0.646 72 V HN 0.342 nan 8.190 nan 0.000 0.447 73 L N -0.058 120.979 121.223 -0.310 0.000 2.042 73 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 73 L C 2.732 179.521 176.870 -0.134 0.000 1.076 73 L CA 1.740 56.472 54.840 -0.180 0.000 0.749 73 L CB -0.851 41.130 42.059 -0.129 0.000 0.893 73 L HN 0.391 nan 8.230 nan 0.000 0.432 74 A N -0.043 122.696 122.820 -0.134 0.000 1.902 74 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 74 A C 2.516 180.052 177.584 -0.080 0.000 1.181 74 A CA 1.718 53.702 52.037 -0.088 0.000 0.623 74 A CB -0.699 18.255 19.000 -0.078 0.000 0.818 74 A HN 0.412 nan 8.150 nan 0.000 0.443 75 A N -0.578 122.171 122.820 -0.117 0.000 1.972 75 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 75 A C 2.243 179.801 177.584 -0.044 0.000 1.169 75 A CA 2.337 54.327 52.037 -0.078 0.000 0.635 75 A CB -0.914 18.020 19.000 -0.110 0.000 0.810 75 A HN 0.783 nan 8.150 nan 0.000 0.446 76 T N -5.251 109.259 114.554 -0.074 0.000 3.023 76 T HA 0.412 4.762 4.350 -0.000 0.000 0.253 76 T C 1.365 176.063 174.700 -0.003 0.000 1.038 76 T CA 1.039 63.129 62.100 -0.017 0.000 0.962 76 T CB 0.140 68.994 68.868 -0.022 0.000 1.018 76 T HN 1.629 nan 8.240 nan 0.000 0.521 77 G N 1.575 110.365 108.800 -0.017 0.000 2.203 77 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.263 77 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.263 77 G C 0.264 175.175 174.900 0.018 0.000 1.012 77 G CA 0.076 45.175 45.100 -0.001 0.000 0.749 77 G HN 1.175 nan 8.290 nan 0.000 0.512 78 A N -0.977 121.853 122.820 0.016 0.000 2.279 78 A HA 0.859 5.178 4.320 -0.000 0.000 0.303 78 A C 1.431 179.038 177.584 0.038 0.000 1.108 78 A CA 0.911 52.990 52.037 0.071 0.000 0.830 78 A CB 0.770 19.827 19.000 0.096 0.000 1.106 78 A HN 1.234 nan 8.150 nan 0.000 0.493 79 T N -1.814 112.782 114.554 0.070 0.000 3.015 79 T HA 0.295 4.645 4.350 -0.000 0.000 0.250 79 T C 0.532 175.150 174.700 -0.137 0.000 1.057 79 T CA 0.445 62.536 62.100 -0.015 0.000 1.066 79 T CB -0.094 68.792 68.868 0.029 0.000 0.959 79 T HN 0.590 nan 8.240 nan 0.000 0.488 80 K N 1.017 121.242 120.400 -0.291 0.000 2.482 80 K HA 0.701 5.021 4.320 -0.000 0.000 0.257 80 K C -1.258 175.154 176.600 -0.312 0.000 0.969 80 K CA -1.055 54.950 56.287 -0.470 0.000 0.842 80 K CB 3.191 35.099 32.500 -0.986 0.000 1.359 80 K HN 0.118 nan 8.250 nan 0.000 0.441 81 V N -1.742 118.058 119.914 -0.189 0.000 3.074 81 V HA 0.580 4.700 4.120 -0.000 0.000 0.314 81 V C -0.988 175.105 176.094 -0.001 0.000 1.117 81 V CA -0.990 61.285 62.300 -0.042 0.000 1.014 81 V CB 2.033 33.831 31.823 -0.042 0.000 1.057 81 V HN 0.659 nan 8.190 nan 0.000 0.438 82 N N 2.183 120.927 118.700 0.074 0.000 2.446 82 N HA 0.560 5.300 4.740 -0.000 0.000 0.265 82 N C -1.092 174.467 175.510 0.081 0.000 0.975 82 N CA -0.192 52.918 53.050 0.100 0.000 0.928 82 N CB 1.830 40.400 38.487 0.139 0.000 1.160 82 N HN 0.667 nan 8.380 nan 0.000 0.495 83 L N 3.251 124.519 121.223 0.076 0.000 2.289 83 L HA 0.568 4.908 4.340 -0.000 0.000 0.285 83 L C 0.162 177.080 176.870 0.080 0.000 1.049 83 L CA -0.426 54.453 54.840 0.066 0.000 0.804 83 L CB 1.129 43.221 42.059 0.055 0.000 1.195 83 L HN 0.290 nan 8.230 nan 0.000 0.428 84 I N 2.358 122.949 120.570 0.035 0.000 2.447 84 I HA 0.529 4.699 4.170 -0.000 0.000 0.287 84 I C 0.146 176.311 176.117 0.081 0.000 1.023 84 I CA -0.346 60.969 61.300 0.024 0.000 1.083 84 I CB 2.019 39.979 38.000 -0.067 0.000 1.245 84 I HN 0.650 nan 8.210 nan 0.000 0.434 85 G N 4.251 113.147 108.800 0.161 0.000 2.524 85 G HA2 0.441 4.401 3.960 -0.000 0.000 0.310 85 G HA3 0.441 4.401 3.960 -0.000 0.000 0.310 85 G C -1.778 173.317 174.900 0.325 0.000 1.279 85 G CA -0.324 44.936 45.100 0.267 0.000 0.974 85 G HN 0.661 nan 8.290 nan 0.000 0.484 86 H N 1.284 120.511 119.070 0.262 0.000 2.538 86 H HA 0.577 5.133 4.556 -0.000 0.000 0.353 86 H C 0.617 175.950 175.328 0.009 0.000 1.109 86 H CA 0.381 56.453 56.048 0.040 0.000 1.192 86 H CB 1.940 31.592 29.762 -0.184 0.000 1.555 86 H HN 0.747 nan 8.280 nan 0.000 0.518 87 S N 2.345 117.749 115.700 -0.494 0.000 4.059 87 S HA -0.361 4.109 4.470 -0.000 0.000 0.624 87 S C 1.673 176.156 174.600 -0.195 0.000 2.019 87 S CA 1.655 59.672 58.200 -0.305 0.000 4.197 87 S CB -1.250 61.812 63.200 -0.230 0.000 0.215 87 S HN 0.917 nan 8.310 nan 0.000 0.609 88 Q N 0.954 120.669 119.800 -0.143 0.000 2.297 88 Q HA -0.067 4.273 4.340 -0.000 0.000 0.208 88 Q C 2.084 177.988 176.000 -0.160 0.000 0.981 88 Q CA 1.758 57.457 55.803 -0.174 0.000 0.876 88 Q CB -1.003 27.646 28.738 -0.149 0.000 0.921 88 Q HN 0.771 nan 8.270 nan 0.000 0.446 89 G N -0.205 108.542 108.800 -0.089 0.000 2.475 89 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 89 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 89 G C 1.191 176.075 174.900 -0.027 0.000 1.125 89 G CA 0.762 45.857 45.100 -0.009 0.000 0.755 89 G HN 0.523 nan 8.290 nan 0.000 0.565 90 G N 0.727 109.468 108.800 -0.098 0.000 2.394 90 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.215 90 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.215 90 G C 1.790 176.587 174.900 -0.171 0.000 1.165 90 G CA 0.625 45.635 45.100 -0.150 0.000 0.784 90 G HN 0.425 nan 8.290 nan 0.000 0.535 91 L N 0.538 121.626 121.223 -0.224 0.000 2.017 91 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 91 L C 3.170 179.973 176.870 -0.111 0.000 1.073 91 L CA 1.742 56.463 54.840 -0.199 0.000 0.745 91 L CB -0.698 41.107 42.059 -0.422 0.000 0.894 91 L HN 0.376 nan 8.230 nan 0.000 0.432 92 T N -2.082 112.395 114.554 -0.127 0.000 2.951 92 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 92 T C 2.011 176.735 174.700 0.040 0.000 1.073 92 T CA 1.534 63.601 62.100 -0.056 0.000 1.134 92 T CB -0.065 68.736 68.868 -0.112 0.000 0.884 92 T HN 0.252 nan 8.240 nan 0.000 0.479 93 S N 0.777 116.490 115.700 0.021 0.000 2.399 93 S HA 0.011 4.481 4.470 -0.000 0.000 0.231 93 S C 2.154 176.787 174.600 0.056 0.000 1.022 93 S CA 0.826 59.052 58.200 0.043 0.000 0.983 93 S CB -0.275 62.943 63.200 0.030 0.000 0.803 93 S HN 0.551 nan 8.310 nan 0.000 0.480 94 R N -0.306 120.227 120.500 0.055 0.000 2.073 94 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 94 R C 2.200 178.554 176.300 0.090 0.000 1.134 94 R CA 1.606 57.761 56.100 0.092 0.000 0.952 94 R CB -0.519 29.864 30.300 0.138 0.000 0.850 94 R HN 0.483 nan 8.270 nan 0.000 0.433 95 Y N 1.314 121.581 120.300 -0.055 0.000 2.053 95 Y HA -0.319 4.231 4.550 -0.000 0.000 0.277 95 Y C 2.156 178.046 175.900 -0.016 0.000 1.159 95 Y CA 1.803 59.790 58.100 -0.187 0.000 1.125 95 Y CB -0.521 37.804 38.460 -0.226 0.000 0.969 95 Y HN -0.219 nan 8.280 nan 0.000 0.492 96 V N 0.460 120.496 119.914 0.203 0.000 2.332 96 V HA -0.362 3.758 4.120 -0.000 0.000 0.248 96 V C 2.633 178.738 176.094 0.018 0.000 1.055 96 V CA 1.925 64.300 62.300 0.124 0.000 1.038 96 V CB -1.582 30.313 31.823 0.120 0.000 0.651 96 V HN 0.616 nan 8.190 nan 0.000 0.450 97 A N -0.416 122.410 122.820 0.010 0.000 1.969 97 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 97 A C 2.383 180.021 177.584 0.090 0.000 1.169 97 A CA 1.798 53.827 52.037 -0.013 0.000 0.635 97 A CB -0.558 18.389 19.000 -0.089 0.000 0.810 97 A HN 0.553 nan 8.150 nan 0.000 0.445 98 A N -0.660 122.192 122.820 0.054 0.000 1.855 98 A HA 0.011 4.331 4.320 -0.000 0.000 0.215 98 A C 2.157 179.740 177.584 -0.002 0.000 1.191 98 A CA 1.735 53.813 52.037 0.069 0.000 0.613 98 A CB -0.926 18.175 19.000 0.168 0.000 0.829 98 A HN 0.378 nan 8.150 nan 0.000 0.442 99 V N -1.244 118.605 119.914 -0.109 0.000 2.809 99 V HA 0.146 4.266 4.120 -0.000 0.000 0.256 99 V C 1.391 177.463 176.094 -0.037 0.000 1.080 99 V CA 1.538 63.759 62.300 -0.132 0.000 1.102 99 V CB -0.171 31.434 31.823 -0.364 0.000 0.705 99 V HN 0.666 nan 8.190 nan 0.000 0.475 100 A N -0.957 121.862 122.820 -0.001 0.000 3.453 100 A HA 0.551 4.871 4.320 -0.000 0.000 0.262 100 A C -1.708 175.909 177.584 0.055 0.000 1.026 100 A CA -0.607 51.443 52.037 0.021 0.000 0.938 100 A CB 0.332 19.344 19.000 0.020 0.000 1.246 100 A HN 0.292 nan 8.150 nan 0.000 0.546 101 P HA -0.273 nan 4.420 nan 0.000 0.217 101 P C 1.738 179.159 177.300 0.202 0.000 1.151 101 P CA 1.652 64.880 63.100 0.214 0.000 0.849 101 P CB 0.202 31.958 31.700 0.095 0.000 0.787 102 Q N -0.216 119.628 119.800 0.073 0.000 2.364 102 Q HA -0.099 4.241 4.340 -0.000 0.000 0.207 102 Q C 1.588 177.584 176.000 -0.006 0.000 0.970 102 Q CA 1.417 57.236 55.803 0.027 0.000 0.888 102 Q CB -1.198 27.541 28.738 0.002 0.000 0.951 102 Q HN 0.347 nan 8.270 nan 0.000 0.469 103 L N 0.328 121.548 121.223 -0.006 0.000 2.585 103 L HA 0.276 4.616 4.340 -0.000 0.000 0.226 103 L C 0.185 177.000 176.870 -0.092 0.000 1.113 103 L CA -0.198 54.607 54.840 -0.059 0.000 0.876 103 L CB 0.768 42.802 42.059 -0.042 0.000 1.072 103 L HN -0.111 nan 8.230 nan 0.000 0.468 104 V N -0.221 119.659 119.914 -0.057 0.000 2.555 104 V HA 0.484 4.604 4.120 -0.000 0.000 0.302 104 V C 0.719 176.764 176.094 -0.082 0.000 1.038 104 V CA -0.045 62.177 62.300 -0.130 0.000 0.887 104 V CB 1.707 33.370 31.823 -0.268 0.000 0.991 104 V HN 0.122 nan 8.190 nan 0.000 0.434 105 A N 3.585 126.350 122.820 -0.091 0.000 1.993 105 A HA 0.521 4.841 4.320 -0.000 0.000 0.207 105 A C 0.848 178.499 177.584 0.112 0.000 1.224 105 A CA 0.832 52.877 52.037 0.014 0.000 0.749 105 A CB 0.238 19.213 19.000 -0.041 0.000 0.884 105 A HN 1.040 nan 8.150 nan 0.000 0.467 106 S N -2.032 113.717 115.700 0.081 0.000 2.596 106 S HA 0.653 5.123 4.470 -0.000 0.000 0.270 106 S C -1.382 173.297 174.600 0.132 0.000 1.155 106 S CA -0.569 57.730 58.200 0.165 0.000 0.827 106 S CB 1.648 65.038 63.200 0.317 0.000 1.130 106 S HN 0.482 nan 8.310 nan 0.000 0.467 107 V N 1.528 121.580 119.914 0.230 0.000 2.482 107 V HA 0.620 4.740 4.120 -0.000 0.000 0.295 107 V C -0.673 175.656 176.094 0.393 0.000 1.026 107 V CA -0.329 62.119 62.300 0.248 0.000 0.856 107 V CB 1.630 33.609 31.823 0.260 0.000 1.001 107 V HN 1.050 nan 8.190 nan 0.000 0.424 108 T N 2.940 117.666 114.554 0.287 0.000 2.807 108 T HA 0.468 4.818 4.350 -0.000 0.000 0.279 108 T C -0.040 174.687 174.700 0.044 0.000 0.993 108 T CA -0.335 61.900 62.100 0.226 0.000 0.970 108 T CB 1.630 70.563 68.868 0.108 0.000 0.950 108 T HN 0.590 nan 8.240 nan 0.000 0.441 109 T N 3.624 118.188 114.554 0.015 0.000 2.794 109 T HA 0.582 4.932 4.350 -0.000 0.000 0.280 109 T C -0.168 174.362 174.700 -0.284 0.000 0.987 109 T CA -0.435 61.623 62.100 -0.070 0.000 0.993 109 T CB 0.207 69.129 68.868 0.091 0.000 0.939 109 T HN 0.421 nan 8.240 nan 0.000 0.449 110 I N 2.725 123.139 120.570 -0.261 0.000 2.437 110 I HA 0.394 4.564 4.170 -0.000 0.000 0.279 110 I C 0.983 177.047 176.117 -0.089 0.000 1.028 110 I CA -0.635 60.455 61.300 -0.351 0.000 1.142 110 I CB 1.366 39.213 38.000 -0.255 0.000 1.266 110 I HN 0.886 nan 8.210 nan 0.000 0.461 111 G N 3.709 112.501 108.800 -0.014 0.000 2.338 111 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.296 111 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.296 111 G C 0.105 174.987 174.900 -0.030 0.000 1.040 111 G CA 0.079 45.217 45.100 0.063 0.000 1.004 111 G HN 0.534 nan 8.290 nan 0.000 0.509 112 T N 2.215 116.695 114.554 -0.123 0.000 2.771 112 T HA 0.503 4.853 4.350 -0.000 0.000 0.291 112 T C -1.594 172.938 174.700 -0.281 0.000 0.954 112 T CA -0.832 61.090 62.100 -0.297 0.000 1.045 112 T CB 2.083 70.599 68.868 -0.586 0.000 0.917 112 T HN 0.198 nan 8.240 nan 0.000 0.484 113 P HA 0.190 nan 4.420 nan 0.000 0.231 113 P C 0.100 177.342 177.300 -0.097 0.000 1.811 113 P CA -0.202 62.829 63.100 -0.114 0.000 1.051 113 P CB -0.229 31.407 31.700 -0.107 0.000 1.951 114 H N 1.326 120.401 119.070 0.008 0.000 2.489 114 H HA 0.014 4.570 4.556 -0.000 0.000 0.293 114 H C 1.143 176.510 175.328 0.065 0.000 1.066 114 H CA 1.034 57.105 56.048 0.037 0.000 1.305 114 H CB 0.316 30.123 29.762 0.075 0.000 1.386 114 H HN 0.123 nan 8.280 nan 0.000 0.551 115 R N 0.389 120.985 120.500 0.160 0.000 2.700 115 R HA 0.269 4.609 4.340 -0.000 0.000 0.399 115 R C 0.442 176.779 176.300 0.062 0.000 1.115 115 R CA 0.445 56.613 56.100 0.114 0.000 1.058 115 R CB 0.359 30.726 30.300 0.112 0.000 1.389 115 R HN 0.413 nan 8.270 nan 0.000 0.582 116 G N 0.959 109.778 108.800 0.033 0.000 2.750 116 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.228 116 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.228 116 G C -0.755 174.137 174.900 -0.013 0.000 1.367 116 G CA -0.072 45.025 45.100 -0.004 0.000 0.871 116 G HN 0.290 nan 8.290 nan 0.000 0.560 117 S N -1.046 114.637 115.700 -0.027 0.000 2.594 117 S HA 0.607 5.077 4.470 -0.000 0.000 0.296 117 S C 0.829 175.425 174.600 -0.007 0.000 1.124 117 S CA 0.440 58.627 58.200 -0.022 0.000 1.011 117 S CB 1.813 64.982 63.200 -0.051 0.000 1.016 117 S HN 0.666 nan 8.310 nan 0.000 0.485 118 E N 2.590 122.802 120.200 0.020 0.000 2.153 118 E HA -0.027 4.323 4.350 -0.000 0.000 0.194 118 E C 1.101 177.739 176.600 0.063 0.000 0.988 118 E CA 1.245 57.665 56.400 0.034 0.000 0.811 118 E CB -0.160 29.561 29.700 0.036 0.000 0.746 118 E HN 0.750 nan 8.360 nan 0.000 0.466 119 F N 0.771 120.686 119.950 -0.057 0.000 2.186 119 F HA -0.033 4.494 4.527 0.000 0.000 0.299 119 F C 2.058 177.860 175.800 0.004 0.000 1.090 119 F CA 1.167 59.146 58.000 -0.034 0.000 1.307 119 F CB -0.453 38.454 39.000 -0.155 0.000 1.019 119 F HN 0.017 nan 8.300 nan 0.000 0.489 120 A N 0.050 122.757 122.820 -0.188 0.000 1.902 120 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 120 A C 2.013 179.466 177.584 -0.218 0.000 1.181 120 A CA 1.904 53.791 52.037 -0.250 0.000 0.623 120 A CB -0.974 17.940 19.000 -0.144 0.000 0.818 120 A HN 0.401 nan 8.150 nan 0.000 0.443 121 D N -0.752 119.576 120.400 -0.121 0.000 2.092 121 D HA -0.173 4.467 4.640 -0.000 0.000 0.193 121 D C 1.637 177.881 176.300 -0.093 0.000 0.994 121 D CA 1.594 55.545 54.000 -0.081 0.000 0.828 121 D CB -0.633 40.154 40.800 -0.023 0.000 0.963 121 D HN 0.479 nan 8.370 nan 0.000 0.450 122 F N 1.862 121.668 119.950 -0.239 0.000 2.065 122 F HA -0.267 4.260 4.527 -0.000 0.000 0.298 122 F C 2.211 177.832 175.800 -0.298 0.000 1.112 122 F CA 1.260 59.113 58.000 -0.244 0.000 1.212 122 F CB -0.586 38.260 39.000 -0.257 0.000 0.975 122 F HN -0.188 nan 8.300 nan 0.000 0.476 123 V N 1.937 121.454 119.914 -0.662 0.000 2.332 123 V HA -0.388 3.732 4.120 -0.000 0.000 0.248 123 V C 2.627 178.455 176.094 -0.443 0.000 1.055 123 V CA 2.395 64.289 62.300 -0.676 0.000 1.038 123 V CB -1.230 30.258 31.823 -0.558 0.000 0.651 123 V HN 0.683 nan 8.190 nan 0.000 0.450 124 Q N -0.273 119.340 119.800 -0.311 0.000 2.170 124 Q HA -0.257 4.083 4.340 -0.000 0.000 0.203 124 Q C 1.627 177.502 176.000 -0.209 0.000 0.976 124 Q CA 2.123 57.798 55.803 -0.214 0.000 0.858 124 Q CB -0.427 28.220 28.738 -0.151 0.000 0.907 124 Q HN 0.564 nan 8.270 nan 0.000 0.433 125 D N 0.926 121.181 120.400 -0.241 0.000 2.097 125 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 125 D C 2.186 178.337 176.300 -0.248 0.000 0.984 125 D CA 1.254 55.131 54.000 -0.205 0.000 0.826 125 D CB -0.224 40.475 40.800 -0.168 0.000 0.973 125 D HN 0.142 nan 8.370 nan 0.000 0.460 126 V N 1.359 121.033 119.914 -0.399 0.000 2.332 126 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 126 V C 2.545 178.505 176.094 -0.223 0.000 1.055 126 V CA 1.185 63.273 62.300 -0.353 0.000 1.038 126 V CB -0.488 31.023 31.823 -0.520 0.000 0.651 126 V HN 0.233 nan 8.190 nan 0.000 0.450 127 L N -0.502 120.589 121.223 -0.219 0.000 2.362 127 L HA -0.121 4.219 4.340 -0.000 0.000 0.219 127 L C 2.604 179.405 176.870 -0.114 0.000 1.134 127 L CA 0.899 55.649 54.840 -0.151 0.000 0.807 127 L CB -0.688 41.282 42.059 -0.148 0.000 0.927 127 L HN 0.308 nan 8.230 nan 0.000 0.447 128 K N -0.053 120.278 120.400 -0.116 0.000 2.032 128 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 128 K C 2.046 178.603 176.600 -0.071 0.000 1.048 128 K CA 1.892 58.129 56.287 -0.084 0.000 0.927 128 K CB -0.790 31.664 32.500 -0.078 0.000 0.712 128 K HN 0.314 nan 8.250 nan 0.000 0.441 129 T N 0.515 115.022 114.554 -0.079 0.000 2.781 129 T HA -0.090 4.260 4.350 -0.000 0.000 0.252 129 T C 0.520 175.185 174.700 -0.059 0.000 1.039 129 T CA 0.910 62.972 62.100 -0.062 0.000 1.147 129 T CB -0.129 68.703 68.868 -0.061 0.000 0.865 129 T HN 0.183 nan 8.240 nan 0.000 0.423 130 D N 1.575 121.931 120.400 -0.073 0.000 2.441 130 D HA 0.323 4.963 4.640 -0.000 0.000 0.231 130 D C -2.282 173.976 176.300 -0.070 0.000 1.073 130 D CA -2.640 51.323 54.000 -0.062 0.000 0.850 130 D CB 1.763 42.529 40.800 -0.057 0.000 1.062 130 D HN -0.088 nan 8.370 nan 0.000 0.524 131 P HA -0.042 nan 4.420 nan 0.000 0.229 131 P C 0.594 177.862 177.300 -0.054 0.000 1.150 131 P CA 0.913 63.978 63.100 -0.058 0.000 0.765 131 P CB 0.463 32.135 31.700 -0.047 0.000 0.783 132 T N -3.287 111.239 114.554 -0.048 0.000 3.023 132 T HA 0.221 4.571 4.350 -0.000 0.000 0.249 132 T C 1.698 176.377 174.700 -0.035 0.000 1.050 132 T CA 0.776 62.855 62.100 -0.035 0.000 1.088 132 T CB -0.188 68.665 68.868 -0.024 0.000 0.946 132 T HN 0.177 nan 8.240 nan 0.000 0.480 133 G N 1.779 110.547 108.800 -0.053 0.000 2.507 133 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.240 133 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.240 133 G C 1.050 175.946 174.900 -0.007 0.000 1.119 133 G CA 0.586 45.653 45.100 -0.055 0.000 0.664 133 G HN 0.513 nan 8.290 nan 0.000 0.516 134 L N 2.273 123.502 121.223 0.011 0.000 2.450 134 L HA -0.054 4.285 4.340 -0.000 0.000 0.224 134 L C 3.065 179.955 176.870 0.033 0.000 1.149 134 L CA 1.819 56.679 54.840 0.034 0.000 0.816 134 L CB -0.666 41.408 42.059 0.026 0.000 0.932 134 L HN 0.623 nan 8.230 nan 0.000 0.449 135 S N -1.610 114.098 115.700 0.014 0.000 2.419 135 S HA -0.142 4.328 4.470 -0.000 0.000 0.235 135 S C 1.253 175.878 174.600 0.042 0.000 1.019 135 S CA 0.728 58.938 58.200 0.017 0.000 0.982 135 S CB -0.284 62.914 63.200 -0.004 0.000 0.789 135 S HN 0.338 nan 8.310 nan 0.000 0.490 136 S N 1.813 117.549 115.700 0.060 0.000 2.422 136 S HA 0.377 4.847 4.470 -0.000 0.000 0.298 136 S C 1.361 176.050 174.600 0.149 0.000 1.118 136 S CA -0.115 58.160 58.200 0.125 0.000 1.083 136 S CB 0.905 64.198 63.200 0.155 0.000 0.971 136 S HN 0.553 nan 8.310 nan 0.000 0.478 137 T N 3.132 117.765 114.554 0.133 0.000 2.720 137 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 137 T C 1.764 176.557 174.700 0.156 0.000 1.037 137 T CA 1.749 63.919 62.100 0.117 0.000 1.144 137 T CB -0.689 68.230 68.868 0.085 0.000 0.864 137 T HN 0.425 nan 8.240 nan 0.000 0.444 138 V N 1.680 121.716 119.914 0.203 0.000 2.287 138 V HA -0.125 3.995 4.120 -0.000 0.000 0.248 138 V C 2.720 179.043 176.094 0.382 0.000 1.053 138 V CA 1.795 64.244 62.300 0.247 0.000 1.027 138 V CB -0.700 31.287 31.823 0.274 0.000 0.646 138 V HN 0.513 nan 8.190 nan 0.000 0.447 139 I N 0.360 121.198 120.570 0.448 0.000 2.179 139 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 139 I C 2.691 179.013 176.117 0.343 0.000 1.088 139 I CA 1.472 63.058 61.300 0.477 0.000 1.357 139 I CB -0.636 37.519 38.000 0.259 0.000 1.051 139 I HN 0.293 nan 8.210 nan 0.000 0.409 140 A N 0.801 123.750 122.820 0.214 0.000 1.978 140 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 140 A C 2.521 180.179 177.584 0.124 0.000 1.170 140 A CA 1.961 54.083 52.037 0.141 0.000 0.636 140 A CB -0.766 18.293 19.000 0.099 0.000 0.810 140 A HN 0.464 nan 8.150 nan 0.000 0.448 141 A N -1.131 121.775 122.820 0.143 0.000 1.877 141 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 141 A C 2.038 179.671 177.584 0.082 0.000 1.186 141 A CA 1.612 53.705 52.037 0.094 0.000 0.620 141 A CB -0.717 18.336 19.000 0.088 0.000 0.822 141 A HN 0.713 nan 8.150 nan 0.000 0.443 142 F N 0.834 120.833 119.950 0.081 0.000 2.134 142 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 142 F C 2.180 178.069 175.800 0.149 0.000 1.097 142 F CA 1.750 59.804 58.000 0.091 0.000 1.264 142 F CB -0.348 38.750 39.000 0.163 0.000 1.001 142 F HN 0.020 nan 8.300 nan 0.000 0.479 143 V N 0.912 120.792 119.914 -0.056 0.000 2.343 143 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 143 V C 2.298 178.352 176.094 -0.067 0.000 1.051 143 V CA 2.181 64.441 62.300 -0.068 0.000 1.036 143 V CB -0.829 31.029 31.823 0.058 0.000 0.654 143 V HN 0.410 nan 8.190 nan 0.000 0.451 144 N N -0.067 118.603 118.700 -0.050 0.000 2.188 144 N HA -0.105 4.635 4.740 -0.000 0.000 0.184 144 N C 1.836 177.292 175.510 -0.090 0.000 1.018 144 N CA 1.242 54.267 53.050 -0.043 0.000 0.858 144 N CB -0.045 38.429 38.487 -0.022 0.000 0.989 144 N HN 0.333 nan 8.380 nan 0.000 0.426 145 V N 1.229 121.053 119.914 -0.149 0.000 2.295 145 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 145 V C 2.033 177.995 176.094 -0.219 0.000 1.049 145 V CA 1.346 63.540 62.300 -0.177 0.000 1.024 145 V CB -0.591 31.125 31.823 -0.177 0.000 0.648 145 V HN 0.165 nan 8.190 nan 0.000 0.447 146 F N 1.723 121.405 119.950 -0.446 0.000 2.069 146 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 146 F C 2.207 177.909 175.800 -0.163 0.000 1.113 146 F CA 1.979 59.772 58.000 -0.345 0.000 1.214 146 F CB -0.977 37.756 39.000 -0.446 0.000 0.978 146 F HN 0.164 nan 8.300 nan 0.000 0.474 147 G N -1.167 107.595 108.800 -0.063 0.000 2.442 147 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 147 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 147 G C 1.616 176.439 174.900 -0.130 0.000 1.141 147 G CA 1.449 46.514 45.100 -0.059 0.000 0.763 147 G HN 0.420 nan 8.290 nan 0.000 0.554 148 T N 0.806 115.277 114.554 -0.138 0.000 2.812 148 T HA -0.070 4.280 4.350 -0.000 0.000 0.264 148 T C 2.211 176.811 174.700 -0.166 0.000 1.042 148 T CA 1.079 63.102 62.100 -0.129 0.000 1.140 148 T CB -0.153 68.644 68.868 -0.119 0.000 0.870 148 T HN 0.162 nan 8.240 nan 0.000 0.445 149 L N 1.318 122.402 121.223 -0.231 0.000 2.141 149 L HA 0.135 4.475 4.340 -0.000 0.000 0.209 149 L C 0.728 177.468 176.870 -0.215 0.000 1.094 149 L CA 1.299 55.995 54.840 -0.239 0.000 0.763 149 L CB 0.022 41.909 42.059 -0.286 0.000 0.908 149 L HN 0.009 nan 8.230 nan 0.000 0.437 150 V N 1.000 120.727 119.914 -0.310 0.000 2.233 150 V HA 0.245 4.365 4.120 -0.000 0.000 0.261 150 V C 0.474 176.483 176.094 -0.141 0.000 1.076 150 V CA -0.539 61.602 62.300 -0.264 0.000 1.001 150 V CB -0.190 31.288 31.823 -0.576 0.000 1.206 150 V HN 0.260 nan 8.190 nan 0.000 0.468 151 S N 2.894 118.547 115.700 -0.078 0.000 3.448 151 S HA 0.175 4.645 4.470 -0.000 0.000 0.408 151 S C 0.464 175.055 174.600 -0.016 0.000 1.128 151 S CA 0.630 58.808 58.200 -0.037 0.000 1.339 151 S CB -0.268 62.925 63.200 -0.012 0.000 0.915 151 S HN 0.806 nan 8.310 nan 0.000 0.546 152 S N 0.611 116.310 115.700 -0.003 0.000 2.735 152 S HA 0.159 4.629 4.470 -0.000 0.000 0.279 152 S C 0.675 175.308 174.600 0.054 0.000 0.989 152 S CA -0.287 57.934 58.200 0.034 0.000 0.883 152 S CB 0.524 63.746 63.200 0.037 0.000 1.117 152 S HN 0.661 nan 8.310 nan 0.000 0.458 153 S N 0.409 116.156 115.700 0.079 0.000 2.497 153 S HA 0.088 4.558 4.470 -0.000 0.000 0.221 153 S C 0.683 175.350 174.600 0.113 0.000 1.037 153 S CA 0.158 58.403 58.200 0.075 0.000 0.920 153 S CB -0.441 62.789 63.200 0.050 0.000 0.800 153 S HN 0.888 nan 8.310 nan 0.000 0.505 154 H N 4.473 123.555 119.070 0.020 0.000 3.604 154 H HA -0.095 4.461 4.556 -0.000 0.000 0.193 154 H C 1.083 176.425 175.328 0.023 0.000 0.790 154 H CA 1.502 57.559 56.048 0.015 0.000 1.337 154 H CB -1.115 28.652 29.762 0.008 0.000 1.548 154 H HN 0.700 nan 8.280 nan 0.000 0.595 155 N N 1.453 120.170 118.700 0.028 0.000 2.946 155 N HA -0.335 4.405 4.740 -0.000 0.000 0.228 155 N C 0.845 176.396 175.510 0.069 0.000 0.873 155 N CA 2.288 55.346 53.050 0.014 0.000 1.029 155 N CB -2.038 36.451 38.487 0.002 0.000 1.047 155 N HN 0.560 nan 8.380 nan 0.000 0.612 156 T N -0.067 114.562 114.554 0.126 0.000 2.563 156 T HA -0.406 3.944 4.350 -0.000 0.000 0.218 156 T C 0.980 175.741 174.700 0.102 0.000 1.379 156 T CA 2.527 64.722 62.100 0.158 0.000 1.045 156 T CB -1.251 67.695 68.868 0.131 0.000 0.788 156 T HN 0.570 nan 8.240 nan 0.000 0.483 157 D N 0.476 120.908 120.400 0.053 0.000 2.192 157 D HA -0.177 4.463 4.640 -0.000 0.000 0.189 157 D C 2.273 178.562 176.300 -0.019 0.000 1.007 157 D CA 2.095 56.105 54.000 0.017 0.000 0.859 157 D CB -0.411 40.394 40.800 0.010 0.000 0.936 157 D HN 0.487 nan 8.370 nan 0.000 0.447 158 Q N 0.684 120.476 119.800 -0.014 0.000 2.083 158 Q HA -0.099 4.241 4.340 -0.000 0.000 0.198 158 Q C 1.411 177.367 176.000 -0.073 0.000 0.969 158 Q CA 1.348 57.129 55.803 -0.037 0.000 0.838 158 Q CB -0.148 28.577 28.738 -0.022 0.000 0.900 158 Q HN 0.108 nan 8.270 nan 0.000 0.436 159 D N -0.347 120.023 120.400 -0.049 0.000 2.264 159 D HA -0.066 4.574 4.640 -0.000 0.000 0.208 159 D C 1.402 177.400 176.300 -0.503 0.000 0.966 159 D CA 1.079 55.016 54.000 -0.104 0.000 0.864 159 D CB -0.031 40.843 40.800 0.123 0.000 0.933 159 D HN 0.403 nan 8.370 nan 0.000 0.499 160 A N 0.541 122.989 122.820 -0.620 0.000 1.872 160 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 160 A C 2.359 179.737 177.584 -0.343 0.000 1.187 160 A CA 0.664 52.140 52.037 -0.936 0.000 0.614 160 A CB -0.662 18.113 19.000 -0.376 0.000 0.826 160 A HN 0.178 nan 8.150 nan 0.000 0.442 161 L N -0.679 120.445 121.223 -0.165 0.000 2.046 161 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 161 L C 3.070 179.866 176.870 -0.124 0.000 1.077 161 L CA 1.067 55.851 54.840 -0.093 0.000 0.747 161 L CB -0.596 41.418 42.059 -0.076 0.000 0.896 161 L HN 0.441 nan 8.230 nan 0.000 0.432 162 A N 0.108 122.842 122.820 -0.143 0.000 2.019 162 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 162 A C 2.518 180.032 177.584 -0.117 0.000 1.164 162 A CA 1.567 53.535 52.037 -0.116 0.000 0.644 162 A CB -0.569 18.370 19.000 -0.100 0.000 0.805 162 A HN 0.413 nan 8.150 nan 0.000 0.449 163 A N -0.372 122.350 122.820 -0.163 0.000 1.972 163 A HA -0.004 4.316 4.320 -0.000 0.000 0.219 163 A C 1.996 179.544 177.584 -0.059 0.000 1.169 163 A CA 1.466 53.446 52.037 -0.095 0.000 0.635 163 A CB -0.440 18.486 19.000 -0.123 0.000 0.810 163 A HN 0.492 nan 8.150 nan 0.000 0.446 164 L N -1.786 119.385 121.223 -0.087 0.000 2.529 164 L HA 0.089 4.429 4.340 -0.000 0.000 0.223 164 L C 2.489 179.288 176.870 -0.118 0.000 1.113 164 L CA 0.378 55.147 54.840 -0.118 0.000 0.861 164 L CB -0.311 41.641 42.059 -0.178 0.000 1.012 164 L HN 0.402 nan 8.230 nan 0.000 0.461 165 R N 0.465 120.902 120.500 -0.105 0.000 2.070 165 R HA -0.152 4.188 4.340 -0.000 0.000 0.233 165 R C 2.145 178.396 176.300 -0.083 0.000 1.137 165 R CA 2.154 58.197 56.100 -0.094 0.000 0.945 165 R CB -0.251 30.000 30.300 -0.082 0.000 0.845 165 R HN 0.239 nan 8.270 nan 0.000 0.430 166 T N 1.285 115.788 114.554 -0.086 0.000 2.803 166 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 166 T C 1.482 176.120 174.700 -0.103 0.000 1.052 166 T CA 1.036 63.079 62.100 -0.096 0.000 1.136 166 T CB -0.039 68.757 68.868 -0.120 0.000 0.864 166 T HN 0.233 nan 8.240 nan 0.000 0.467 167 L N 2.037 123.199 121.223 -0.101 0.000 2.629 167 L HA 0.166 4.506 4.340 -0.000 0.000 0.230 167 L C 1.142 177.966 176.870 -0.077 0.000 1.151 167 L CA -0.247 54.533 54.840 -0.099 0.000 0.924 167 L CB -0.905 41.090 42.059 -0.107 0.000 1.137 167 L HN 0.324 nan 8.230 nan 0.000 0.457 168 T N -4.476 110.038 114.554 -0.067 0.000 2.898 168 T HA 0.059 4.409 4.350 -0.000 0.000 0.301 168 T C 1.386 176.073 174.700 -0.021 0.000 1.049 168 T CA -0.330 61.739 62.100 -0.052 0.000 1.095 168 T CB 1.392 70.226 68.868 -0.057 0.000 0.976 168 T HN 0.012 nan 8.240 nan 0.000 0.539 169 T N 1.967 116.516 114.554 -0.009 0.000 2.685 169 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 169 T C 2.345 177.060 174.700 0.025 0.000 1.034 169 T CA 1.727 63.836 62.100 0.014 0.000 1.149 169 T CB -0.862 68.014 68.868 0.013 0.000 0.860 169 T HN 0.825 nan 8.240 nan 0.000 0.449 170 A N 1.344 124.173 122.820 0.014 0.000 1.851 170 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 170 A C 2.395 180.003 177.584 0.041 0.000 1.195 170 A CA 1.406 53.457 52.037 0.023 0.000 0.622 170 A CB -0.692 18.313 19.000 0.008 0.000 0.831 170 A HN 0.325 nan 8.150 nan 0.000 0.444 171 Q N -0.412 119.405 119.800 0.029 0.000 2.061 171 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 171 Q C 2.394 178.447 176.000 0.088 0.000 0.984 171 Q CA 2.456 58.285 55.803 0.043 0.000 0.846 171 Q CB -0.959 27.780 28.738 0.002 0.000 0.902 171 Q HN 0.869 nan 8.270 nan 0.000 0.421 172 T N -1.277 113.321 114.554 0.073 0.000 2.904 172 T HA 0.086 4.436 4.350 -0.000 0.000 0.267 172 T C 1.956 176.764 174.700 0.180 0.000 1.059 172 T CA 1.035 63.213 62.100 0.130 0.000 1.137 172 T CB -0.266 68.650 68.868 0.080 0.000 0.879 172 T HN 0.262 nan 8.240 nan 0.000 0.467 173 A N 2.214 125.107 122.820 0.122 0.000 1.883 173 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 173 A C 2.618 180.273 177.584 0.120 0.000 1.186 173 A CA 2.311 54.413 52.037 0.107 0.000 0.624 173 A CB -1.568 17.475 19.000 0.071 0.000 0.822 173 A HN 0.539 nan 8.150 nan 0.000 0.444 174 T N -1.747 112.882 114.554 0.125 0.000 2.777 174 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 174 T C 1.819 176.636 174.700 0.195 0.000 1.040 174 T CA 1.529 63.707 62.100 0.129 0.000 1.141 174 T CB -0.472 68.466 68.868 0.117 0.000 0.868 174 T HN 0.508 nan 8.240 nan 0.000 0.444 175 Y N 3.067 123.451 120.300 0.139 0.000 2.114 175 Y HA -0.226 4.324 4.550 0.000 0.000 0.282 175 Y C 2.193 178.260 175.900 0.278 0.000 1.165 175 Y CA 1.380 59.621 58.100 0.234 0.000 1.148 175 Y CB -0.562 37.996 38.460 0.163 0.000 0.972 175 Y HN 0.127 nan 8.280 nan 0.000 0.504 176 N N 0.123 118.968 118.700 0.242 0.000 2.244 176 N HA -0.158 4.582 4.740 -0.000 0.000 0.183 176 N C 1.981 177.525 175.510 0.057 0.000 1.016 176 N CA 1.333 54.472 53.050 0.149 0.000 0.866 176 N CB -0.467 38.128 38.487 0.180 0.000 0.980 176 N HN 0.329 nan 8.380 nan 0.000 0.430 177 R N 1.101 121.631 120.500 0.051 0.000 2.073 177 R HA 0.078 4.418 4.340 -0.000 0.000 0.234 177 R C 1.437 177.693 176.300 -0.073 0.000 1.134 177 R CA 1.225 57.326 56.100 0.002 0.000 0.952 177 R CB -0.035 30.277 30.300 0.020 0.000 0.850 177 R HN 0.207 nan 8.270 nan 0.000 0.433 178 N N -0.928 117.708 118.700 -0.107 0.000 2.409 178 N HA -0.069 4.670 4.740 -0.000 0.000 0.179 178 N C -0.504 174.601 175.510 -0.674 0.000 1.032 178 N CA 0.840 53.693 53.050 -0.330 0.000 0.898 178 N CB 0.376 38.685 38.487 -0.297 0.000 0.971 178 N HN 0.110 nan 8.380 nan 0.000 0.441 179 F N 0.786 120.575 119.950 -0.269 0.000 2.622 179 F HA 0.379 4.906 4.527 0.000 0.000 0.338 179 F C -2.347 173.362 175.800 -0.152 0.000 1.334 179 F CA -2.047 55.773 58.000 -0.299 0.000 1.179 179 F CB 1.416 40.030 39.000 -0.644 0.000 1.471 179 F HN -0.264 nan 8.300 nan 0.000 0.576 180 P HA 0.153 nan 4.420 nan 0.000 0.271 180 P C -0.314 177.038 177.300 0.086 0.000 1.216 180 P CA 0.049 63.170 63.100 0.034 0.000 0.771 180 P CB 1.364 33.057 31.700 -0.011 0.000 0.864 181 S N 1.730 117.500 115.700 0.118 0.000 2.541 181 S HA 0.578 5.048 4.470 -0.000 0.000 0.280 181 S C 0.992 175.631 174.600 0.066 0.000 1.112 181 S CA -0.269 58.019 58.200 0.147 0.000 0.925 181 S CB 1.120 64.514 63.200 0.323 0.000 1.067 181 S HN 0.334 nan 8.310 nan 0.000 0.479 182 A N 3.451 126.279 122.820 0.014 0.000 2.070 182 A HA 0.135 4.455 4.320 -0.000 0.000 0.220 182 A C 1.957 179.469 177.584 -0.121 0.000 1.159 182 A CA 1.796 53.806 52.037 -0.045 0.000 0.656 182 A CB -1.207 17.760 19.000 -0.055 0.000 0.800 182 A HN 1.145 nan 8.150 nan 0.000 0.453 183 G N -0.623 108.040 108.800 -0.228 0.000 2.471 183 G HA2 0.126 4.086 3.960 -0.000 0.000 0.219 183 G HA3 0.126 4.086 3.960 -0.000 0.000 0.219 183 G C 0.643 175.370 174.900 -0.289 0.000 1.125 183 G CA 0.205 44.976 45.100 -0.549 0.000 0.775 183 G HN 0.435 nan 8.290 nan 0.000 0.548 184 L N 0.699 121.892 121.223 -0.049 0.000 2.350 184 L HA 0.534 4.874 4.340 -0.000 0.000 0.275 184 L C 1.334 178.202 176.870 -0.003 0.000 1.099 184 L CA -0.686 54.166 54.840 0.021 0.000 0.808 184 L CB 1.460 43.570 42.059 0.085 0.000 1.149 184 L HN 0.127 nan 8.230 nan 0.000 0.442 185 G N 1.125 109.930 108.800 0.009 0.000 2.504 185 G HA2 0.536 4.496 3.960 -0.000 0.000 0.257 185 G HA3 0.536 4.496 3.960 -0.000 0.000 0.257 185 G C -0.408 174.504 174.900 0.021 0.000 1.451 185 G CA -0.248 44.856 45.100 0.008 0.000 1.059 185 G HN 0.763 nan 8.290 nan 0.000 0.550 186 A N -0.116 122.716 122.820 0.019 0.000 2.388 186 A HA 0.598 4.918 4.320 -0.000 0.000 0.257 186 A C -2.197 175.407 177.584 0.033 0.000 1.095 186 A CA -0.942 51.108 52.037 0.023 0.000 0.791 186 A CB 0.030 19.040 19.000 0.017 0.000 1.029 186 A HN 0.377 nan 8.150 nan 0.000 0.489 187 P HA 0.195 nan 4.420 nan 0.000 0.261 187 P C 1.065 178.386 177.300 0.035 0.000 1.183 187 P CA 2.084 65.209 63.100 0.042 0.000 0.761 187 P CB 0.525 32.249 31.700 0.040 0.000 0.785 188 G N 2.795 111.618 108.800 0.039 0.000 2.184 188 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.264 188 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.264 188 G C 1.209 176.127 174.900 0.030 0.000 0.975 188 G CA 0.655 45.775 45.100 0.033 0.000 0.642 188 G HN 0.587 nan 8.290 nan 0.000 0.536 189 S N -1.345 114.373 115.700 0.030 0.000 2.470 189 S HA 0.157 4.627 4.470 -0.000 0.000 0.225 189 S C 1.689 176.305 174.600 0.028 0.000 1.006 189 S CA 1.308 59.523 58.200 0.025 0.000 0.934 189 S CB -0.060 63.153 63.200 0.021 0.000 0.778 189 S HN 2.087 nan 8.310 nan 0.000 0.517 190 c N 1.762 120.384 118.600 0.036 0.000 4.300 190 c HA -0.145 4.425 4.570 -0.000 0.000 0.304 190 c C -0.126 173.987 174.090 0.038 0.000 1.367 190 c CA 0.416 56.770 56.329 0.042 0.000 2.032 190 c CB -2.781 39.751 42.510 0.038 0.000 1.285 190 c HN 0.791 nan 8.230 nan 0.000 0.737 191 Q N 0.410 120.232 119.800 0.036 0.000 2.421 191 Q HA 0.620 4.960 4.340 -0.000 0.000 0.280 191 Q C 0.293 176.309 176.000 0.027 0.000 1.085 191 Q CA -0.116 55.704 55.803 0.028 0.000 0.807 191 Q CB 2.086 30.834 28.738 0.017 0.000 1.405 191 Q HN 0.585 nan 8.270 nan 0.000 0.419 192 T N -1.304 113.261 114.554 0.018 0.000 2.770 192 T HA 0.571 4.920 4.350 -0.000 0.000 0.281 192 T C 0.624 175.303 174.700 -0.034 0.000 0.981 192 T CA -0.290 61.807 62.100 -0.005 0.000 0.955 192 T CB 0.751 69.609 68.868 -0.016 0.000 1.060 192 T HN 0.675 nan 8.240 nan 0.000 0.531 193 G N -0.475 108.277 108.800 -0.080 0.000 2.829 193 G HA2 0.584 4.544 3.960 -0.000 0.000 0.173 193 G HA3 0.584 4.544 3.960 -0.000 0.000 0.173 193 G C -0.163 174.666 174.900 -0.118 0.000 1.476 193 G CA -0.490 44.553 45.100 -0.096 0.000 1.072 193 G HN 1.039 nan 8.290 nan 0.000 0.577 194 A N -1.439 121.295 122.820 -0.143 0.000 2.279 194 A HA 0.638 4.958 4.320 -0.000 0.000 0.303 194 A C 1.327 178.791 177.584 -0.201 0.000 1.108 194 A CA 0.447 52.403 52.037 -0.135 0.000 0.830 194 A CB 1.168 20.105 19.000 -0.106 0.000 1.106 194 A HN 1.442 nan 8.150 nan 0.000 0.493 195 A N 0.503 123.222 122.820 -0.167 0.000 2.119 195 A HA 0.368 4.688 4.320 -0.000 0.000 0.216 195 A C 1.109 178.561 177.584 -0.220 0.000 1.152 195 A CA 1.691 53.598 52.037 -0.217 0.000 0.708 195 A CB -0.527 18.375 19.000 -0.162 0.000 0.805 195 A HN 1.249 nan 8.150 nan 0.000 0.460 196 T N -3.358 111.107 114.554 -0.148 0.000 2.812 196 T HA 0.684 5.034 4.350 -0.000 0.000 0.294 196 T C -1.020 173.638 174.700 -0.070 0.000 1.159 196 T CA -0.749 61.296 62.100 -0.091 0.000 1.008 196 T CB 2.139 70.971 68.868 -0.061 0.000 1.289 196 T HN 0.162 nan 8.240 nan 0.000 0.514 197 E N -0.096 120.081 120.200 -0.039 0.000 2.506 197 E HA 0.370 4.720 4.350 -0.000 0.000 0.308 197 E C -1.702 174.826 176.600 -0.120 0.000 0.931 197 E CA -0.527 55.842 56.400 -0.052 0.000 0.800 197 E CB 1.614 31.313 29.700 -0.001 0.000 1.292 197 E HN 0.709 nan 8.360 nan 0.000 0.401 198 T N 3.067 117.550 114.554 -0.118 0.000 2.753 198 T HA 0.403 4.753 4.350 -0.000 0.000 0.297 198 T C -0.587 174.021 174.700 -0.153 0.000 0.981 198 T CA -0.420 61.588 62.100 -0.154 0.000 0.956 198 T CB 0.734 69.547 68.868 -0.093 0.000 0.936 198 T HN 0.170 nan 8.240 nan 0.000 0.463 199 V N 2.172 121.943 119.914 -0.239 0.000 2.487 199 V HA 0.682 4.802 4.120 -0.000 0.000 0.298 199 V C 1.013 177.014 176.094 -0.155 0.000 1.028 199 V CA -0.831 61.367 62.300 -0.170 0.000 0.860 199 V CB 1.242 32.972 31.823 -0.156 0.000 0.991 199 V HN 1.093 nan 8.190 nan 0.000 0.427 200 G N 3.386 112.134 108.800 -0.087 0.000 2.356 200 G HA2 0.065 4.025 3.960 -0.000 0.000 0.296 200 G HA3 0.065 4.025 3.960 -0.000 0.000 0.296 200 G C 1.210 176.072 174.900 -0.063 0.000 1.022 200 G CA 0.733 45.797 45.100 -0.060 0.000 0.961 200 G HN 2.407 nan 8.290 nan 0.000 0.510 201 G N -2.130 106.629 108.800 -0.069 0.000 2.189 201 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.267 201 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.267 201 G C 0.429 175.287 174.900 -0.071 0.000 0.975 201 G CA 0.954 46.019 45.100 -0.058 0.000 0.644 201 G HN 1.873 nan 8.290 nan 0.000 0.537 202 S N 0.131 115.758 115.700 -0.122 0.000 2.449 202 S HA 0.579 5.049 4.470 -0.000 0.000 0.310 202 S C -0.117 174.323 174.600 -0.266 0.000 1.096 202 S CA -0.536 57.577 58.200 -0.145 0.000 1.095 202 S CB 2.047 65.175 63.200 -0.120 0.000 1.007 202 S HN 0.536 nan 8.310 nan 0.000 0.474 203 Q N 2.105 121.822 119.800 -0.138 0.000 2.259 203 Q HA 0.296 4.636 4.340 -0.000 0.000 0.249 203 Q C -1.120 174.873 176.000 -0.011 0.000 0.914 203 Q CA -0.288 55.447 55.803 -0.113 0.000 0.904 203 Q CB 0.580 29.303 28.738 -0.024 0.000 1.213 203 Q HN 0.756 nan 8.270 nan 0.000 0.428 204 H N 2.769 121.843 119.070 0.008 0.000 2.529 204 H HA 0.368 4.924 4.556 -0.000 0.000 0.348 204 H C -0.844 174.486 175.328 0.003 0.000 1.079 204 H CA -0.943 55.121 56.048 0.027 0.000 1.198 204 H CB 1.413 31.200 29.762 0.042 0.000 1.521 204 H HN 0.456 nan 8.280 nan 0.000 0.514 205 L N 5.105 126.422 121.223 0.157 0.000 2.281 205 L HA 0.284 4.623 4.340 -0.000 0.000 0.285 205 L C -0.594 176.268 176.870 -0.014 0.000 1.074 205 L CA -0.357 54.492 54.840 0.014 0.000 0.817 205 L CB 0.580 42.730 42.059 0.152 0.000 1.168 205 L HN 0.389 nan 8.230 nan 0.000 0.434 206 L N 4.701 125.784 121.223 -0.234 0.000 2.305 206 L HA 0.529 4.869 4.340 -0.000 0.000 0.284 206 L C -0.955 175.752 176.870 -0.272 0.000 1.013 206 L CA -0.552 54.192 54.840 -0.160 0.000 0.819 206 L CB 1.068 42.858 42.059 -0.448 0.000 1.227 206 L HN 0.424 nan 8.230 nan 0.000 0.417 207 Y N 0.652 121.096 120.300 0.240 0.000 2.609 207 Y HA 0.708 5.258 4.550 -0.000 0.000 0.342 207 Y C 0.157 176.240 175.900 0.305 0.000 1.058 207 Y CA -0.719 57.533 58.100 0.253 0.000 1.055 207 Y CB 2.567 41.211 38.460 0.307 0.000 1.292 207 Y HN 0.609 nan 8.280 nan 0.000 0.476 208 S N -0.187 115.793 115.700 0.467 0.000 2.615 208 S HA 0.807 5.277 4.470 -0.000 0.000 0.269 208 S C -1.926 172.941 174.600 0.445 0.000 1.161 208 S CA -0.896 57.497 58.200 0.321 0.000 0.817 208 S CB 2.035 65.467 63.200 0.387 0.000 1.131 208 S HN 0.984 nan 8.310 nan 0.000 0.467 209 W N -0.522 120.941 121.300 0.272 0.000 3.059 209 W HA 0.849 5.509 4.660 -0.000 0.000 0.329 209 W C -0.629 176.085 176.519 0.325 0.000 1.246 209 W CA -0.356 57.172 57.345 0.304 0.000 1.190 209 W CB 0.504 30.204 29.460 0.400 0.000 1.423 209 W HN 1.268 nan 8.180 nan 0.000 0.571 210 G N -0.417 108.777 108.800 0.658 0.000 2.645 210 G HA2 0.653 4.613 3.960 -0.000 0.000 0.292 210 G HA3 0.653 4.613 3.960 -0.000 0.000 0.292 210 G C -1.409 173.831 174.900 0.565 0.000 1.415 210 G CA -0.313 45.100 45.100 0.522 0.000 0.785 210 G HN 1.234 nan 8.290 nan 0.000 0.483 211 G N -1.011 108.071 108.800 0.471 0.000 2.461 211 G HA2 0.555 4.515 3.960 -0.000 0.000 0.323 211 G HA3 0.555 4.515 3.960 -0.000 0.000 0.323 211 G C 0.101 175.125 174.900 0.206 0.000 1.229 211 G CA 0.066 45.388 45.100 0.370 0.000 0.941 211 G HN 1.132 nan 8.290 nan 0.000 0.477 212 T N -0.580 114.019 114.554 0.075 0.000 3.316 212 T HA 0.468 4.818 4.350 -0.000 0.000 0.253 212 T C 1.586 176.299 174.700 0.021 0.000 0.995 212 T CA 0.420 62.544 62.100 0.039 0.000 1.031 212 T CB 1.041 69.901 68.868 -0.013 0.000 1.125 212 T HN 0.646 nan 8.240 nan 0.000 0.539 213 A N 1.673 124.546 122.820 0.088 0.000 1.978 213 A HA 0.146 4.466 4.320 -0.000 0.000 0.220 213 A C 1.079 178.715 177.584 0.087 0.000 1.170 213 A CA 0.674 52.779 52.037 0.113 0.000 0.636 213 A CB -0.401 18.706 19.000 0.178 0.000 0.810 213 A HN 0.634 nan 8.150 nan 0.000 0.448 214 I N 1.021 121.632 120.570 0.067 0.000 2.312 214 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 214 I C -0.350 175.785 176.117 0.030 0.000 1.031 214 I CA -0.155 61.171 61.300 0.043 0.000 1.293 214 I CB 0.568 38.584 38.000 0.026 0.000 1.403 214 I HN 0.265 nan 8.210 nan 0.000 0.484 215 Q N 7.733 127.550 119.800 0.028 0.000 2.342 215 Q HA 0.480 4.820 4.340 -0.000 0.000 0.267 215 Q C -2.395 173.613 176.000 0.014 0.000 1.038 215 Q CA -1.869 53.947 55.803 0.021 0.000 0.832 215 Q CB 2.579 31.333 28.738 0.027 0.000 1.323 215 Q HN 0.359 nan 8.270 nan 0.000 0.448 216 P HA -0.032 nan 4.420 nan 0.000 0.268 216 P C 0.518 177.823 177.300 0.008 0.000 1.205 216 P CA 0.237 63.340 63.100 0.006 0.000 0.771 216 P CB 0.820 32.523 31.700 0.005 0.000 0.858 217 T N -0.283 114.275 114.554 0.006 0.000 2.809 217 T HA 0.068 4.418 4.350 -0.000 0.000 0.260 217 T C 0.755 175.459 174.700 0.006 0.000 1.039 217 T CA 0.996 63.100 62.100 0.007 0.000 1.141 217 T CB -0.551 68.321 68.868 0.006 0.000 0.869 217 T HN 0.822 nan 8.240 nan 0.000 0.437 218 S N -1.341 114.362 115.700 0.005 0.000 2.687 218 S HA 0.241 4.711 4.470 -0.000 0.000 0.278 218 S C -0.843 173.759 174.600 0.003 0.000 0.828 218 S CA -0.593 57.609 58.200 0.004 0.000 1.121 218 S CB 0.306 63.509 63.200 0.005 0.000 1.403 218 S HN 0.535 nan 8.310 nan 0.000 0.456 219 T N 0.568 115.124 114.554 0.003 0.000 2.824 219 T HA 0.701 5.051 4.350 -0.000 0.000 0.280 219 T C -0.907 173.795 174.700 0.003 0.000 0.995 219 T CA -0.033 62.069 62.100 0.003 0.000 1.009 219 T CB 1.096 69.966 68.868 0.003 0.000 0.955 219 T HN 1.874 nan 8.240 nan 0.000 0.452 220 V N 7.788 127.704 119.914 0.003 0.000 2.525 220 V HA 0.468 4.588 4.120 -0.000 0.000 0.299 220 V C 0.108 176.204 176.094 0.003 0.000 1.034 220 V CA -0.798 61.504 62.300 0.003 0.000 0.863 220 V CB 0.816 32.641 31.823 0.003 0.000 0.999 220 V HN 1.140 nan 8.190 nan 0.000 0.423 221 L N 7.035 128.260 121.223 0.003 0.000 3.781 221 L HA -0.253 4.087 4.340 -0.000 0.000 0.426 221 L C 1.485 178.357 176.870 0.004 0.000 1.197 221 L CA 0.936 55.778 54.840 0.004 0.000 0.907 221 L CB -1.787 40.274 42.059 0.004 0.000 1.812 221 L HN 1.416 nan 8.230 nan 0.000 0.956 222 G N -2.042 106.761 108.800 0.004 0.000 2.812 222 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.219 222 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.219 222 G C 0.296 175.198 174.900 0.003 0.000 1.275 222 G CA 0.336 45.439 45.100 0.004 0.000 0.769 222 G HN 1.097 nan 8.290 nan 0.000 0.527 223 V N 0.229 120.144 119.914 0.002 0.000 2.673 223 V HA 0.609 4.729 4.120 -0.000 0.000 0.303 223 V C 0.361 176.455 176.094 0.001 0.000 1.046 223 V CA 0.908 63.209 62.300 0.001 0.000 1.126 223 V CB 1.219 33.043 31.823 0.001 0.000 0.934 223 V HN 1.245 nan 8.190 nan 0.000 0.487 224 T N 3.621 118.174 114.554 -0.001 0.000 3.011 224 T HA 0.687 5.037 4.350 -0.000 0.000 0.303 224 T C 0.123 174.821 174.700 -0.004 0.000 0.997 224 T CA 0.308 62.407 62.100 -0.001 0.000 1.007 224 T CB 0.867 69.735 68.868 -0.000 0.000 1.017 224 T HN 1.357 nan 8.240 nan 0.000 0.443 225 G N 2.293 111.091 108.800 -0.002 0.000 2.568 225 G HA2 0.838 4.798 3.960 -0.000 0.000 0.293 225 G HA3 0.838 4.798 3.960 -0.000 0.000 0.293 225 G C -0.612 174.286 174.900 -0.003 0.000 1.347 225 G CA -0.350 44.748 45.100 -0.004 0.000 1.039 225 G HN 1.113 nan 8.290 nan 0.000 0.523 226 A N -1.077 121.742 122.820 -0.003 0.000 2.515 226 A HA 0.903 5.223 4.320 -0.000 0.000 0.296 226 A C -0.327 177.260 177.584 0.006 0.000 1.094 226 A CA -0.309 51.728 52.037 0.000 0.000 0.718 226 A CB 1.712 20.707 19.000 -0.008 0.000 1.307 226 A HN 1.440 nan 8.150 nan 0.000 0.408 227 T N -0.796 113.767 114.554 0.015 0.000 2.912 227 T HA 0.571 4.921 4.350 -0.000 0.000 0.299 227 T C -1.380 173.341 174.700 0.035 0.000 1.052 227 T CA -0.650 61.463 62.100 0.022 0.000 0.996 227 T CB 1.768 70.652 68.868 0.026 0.000 1.070 227 T HN 0.543 nan 8.240 nan 0.000 0.465 228 D N 1.728 122.151 120.400 0.038 0.000 2.277 228 D HA 0.272 4.912 4.640 -0.000 0.000 0.249 228 D C 1.008 177.352 176.300 0.074 0.000 1.134 228 D CA -0.199 53.836 54.000 0.057 0.000 0.863 228 D CB 1.632 42.461 40.800 0.049 0.000 1.143 228 D HN 0.774 nan 8.370 nan 0.000 0.458 229 T N -0.597 114.026 114.554 0.115 0.000 3.134 229 T HA 0.044 4.394 4.350 -0.000 0.000 0.260 229 T C 1.380 176.177 174.700 0.161 0.000 1.027 229 T CA 0.197 62.383 62.100 0.144 0.000 0.913 229 T CB -0.098 68.900 68.868 0.217 0.000 1.046 229 T HN 0.224 nan 8.240 nan 0.000 0.553 230 S N 1.256 117.049 115.700 0.155 0.000 2.470 230 S HA 0.084 4.554 4.470 -0.000 0.000 0.222 230 S C 1.096 175.741 174.600 0.074 0.000 1.024 230 S CA 0.052 58.346 58.200 0.156 0.000 0.931 230 S CB -0.720 62.609 63.200 0.215 0.000 0.791 230 S HN 0.672 nan 8.310 nan 0.000 0.513 231 T N 0.691 115.277 114.554 0.055 0.000 2.845 231 T HA 0.693 5.043 4.350 -0.000 0.000 0.288 231 T C 0.716 175.422 174.700 0.010 0.000 0.980 231 T CA -0.352 61.766 62.100 0.030 0.000 1.071 231 T CB 1.328 70.213 68.868 0.028 0.000 0.941 231 T HN 0.305 nan 8.240 nan 0.000 0.487 232 G N 1.532 110.333 108.800 0.001 0.000 2.516 232 G HA2 0.369 4.329 3.960 -0.000 0.000 0.276 232 G HA3 0.369 4.329 3.960 -0.000 0.000 0.276 232 G C 1.212 176.110 174.900 -0.002 0.000 1.390 232 G CA -0.063 45.033 45.100 -0.007 0.000 1.050 232 G HN 0.881 nan 8.290 nan 0.000 0.519 233 T N -1.468 113.084 114.554 -0.004 0.000 2.701 233 T HA -0.016 4.334 4.350 -0.000 0.000 0.263 233 T C 1.306 176.006 174.700 -0.000 0.000 1.040 233 T CA 0.749 62.847 62.100 -0.002 0.000 1.147 233 T CB -0.222 68.644 68.868 -0.003 0.000 0.865 233 T HN 0.106 nan 8.240 nan 0.000 0.426 234 L N 2.074 123.296 121.223 -0.001 0.000 2.709 234 L HA 0.393 4.733 4.340 -0.000 0.000 0.236 234 L C -0.506 176.364 176.870 -0.001 0.000 1.266 234 L CA -0.576 54.264 54.840 -0.001 0.000 0.987 234 L CB 0.729 42.788 42.059 -0.001 0.000 1.306 234 L HN 0.187 nan 8.230 nan 0.000 0.467 235 D N 0.766 121.166 120.400 0.000 0.000 2.336 235 D HA 0.086 4.726 4.640 -0.000 0.000 0.249 235 D C 1.216 177.515 176.300 -0.001 0.000 1.213 235 D CA -0.107 53.894 54.000 0.001 0.000 0.870 235 D CB 2.059 42.862 40.800 0.005 0.000 1.076 235 D HN 0.114 nan 8.370 nan 0.000 0.483 236 V N 4.232 124.144 119.914 -0.003 0.000 2.469 236 V HA -0.262 3.858 4.120 -0.000 0.000 0.251 236 V C 2.570 178.658 176.094 -0.011 0.000 1.064 236 V CA 1.826 64.122 62.300 -0.007 0.000 1.066 236 V CB -0.926 30.892 31.823 -0.008 0.000 0.667 236 V HN 0.666 nan 8.190 nan 0.000 0.461 237 A N 0.873 123.688 122.820 -0.009 0.000 2.042 237 A HA -0.320 4.000 4.320 -0.000 0.000 0.222 237 A C 2.010 179.585 177.584 -0.015 0.000 1.167 237 A CA 2.485 54.513 52.037 -0.014 0.000 0.649 237 A CB -0.949 18.048 19.000 -0.005 0.000 0.809 237 A HN 0.705 nan 8.150 nan 0.000 0.457 238 N N -0.633 118.062 118.700 -0.008 0.000 2.331 238 N HA -0.041 4.699 4.740 -0.000 0.000 0.180 238 N C 1.382 176.884 175.510 -0.013 0.000 1.019 238 N CA 1.409 54.454 53.050 -0.008 0.000 0.881 238 N CB -0.043 38.442 38.487 -0.002 0.000 0.972 238 N HN 0.402 nan 8.380 nan 0.000 0.435 239 V N -0.525 119.380 119.914 -0.015 0.000 2.436 239 V HA -0.069 4.051 4.120 -0.000 0.000 0.240 239 V C 2.411 178.490 176.094 -0.025 0.000 1.040 239 V CA 1.683 63.973 62.300 -0.017 0.000 1.052 239 V CB -1.230 30.585 31.823 -0.014 0.000 0.707 239 V HN 0.381 nan 8.190 nan 0.000 0.469 240 T N -1.762 112.776 114.554 -0.028 0.000 2.881 240 T HA -0.134 4.216 4.350 -0.000 0.000 0.270 240 T C 0.687 175.355 174.700 -0.054 0.000 1.068 240 T CA 1.487 63.564 62.100 -0.038 0.000 1.131 240 T CB -0.221 68.625 68.868 -0.037 0.000 0.871 240 T HN 0.437 nan 8.240 nan 0.000 0.479 241 D N 1.919 122.288 120.400 -0.052 0.000 2.462 241 D HA 0.293 4.933 4.640 -0.000 0.000 0.245 241 D C -1.753 174.515 176.300 -0.052 0.000 1.122 241 D CA -2.628 51.332 54.000 -0.067 0.000 0.864 241 D CB 2.237 42.992 40.800 -0.076 0.000 1.098 241 D HN -0.022 nan 8.370 nan 0.000 0.541 242 P HA -0.144 nan 4.420 nan 0.000 0.220 242 P C 1.069 178.345 177.300 -0.041 0.000 1.148 242 P CA 0.713 63.788 63.100 -0.043 0.000 0.803 242 P CB 0.295 31.967 31.700 -0.046 0.000 0.782 243 S N -1.324 114.344 115.700 -0.054 0.000 2.481 243 S HA -0.079 4.391 4.470 -0.000 0.000 0.231 243 S C 1.877 176.465 174.600 -0.019 0.000 0.996 243 S CA 1.333 59.509 58.200 -0.040 0.000 0.942 243 S CB -1.735 61.430 63.200 -0.058 0.000 0.768 243 S HN 0.108 nan 8.310 nan 0.000 0.520 244 T N 3.409 117.950 114.554 -0.020 0.000 2.622 244 T HA 0.014 4.364 4.350 -0.000 0.000 0.266 244 T C 1.682 176.383 174.700 0.003 0.000 1.047 244 T CA 1.692 63.791 62.100 -0.002 0.000 1.159 244 T CB -0.544 68.322 68.868 -0.003 0.000 0.863 244 T HN 0.330 nan 8.240 nan 0.000 0.422 245 L N 0.482 121.703 121.223 -0.004 0.000 2.156 245 L HA 0.049 4.389 4.340 -0.000 0.000 0.208 245 L C 3.048 179.913 176.870 -0.009 0.000 1.095 245 L CA 0.776 55.614 54.840 -0.003 0.000 0.770 245 L CB -0.695 41.363 42.059 -0.003 0.000 0.914 245 L HN 0.259 nan 8.230 nan 0.000 0.439 246 A N 0.494 123.309 122.820 -0.009 0.000 1.883 246 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 246 A C 2.172 179.736 177.584 -0.033 0.000 1.186 246 A CA 1.513 53.544 52.037 -0.009 0.000 0.624 246 A CB -0.668 18.332 19.000 -0.001 0.000 0.822 246 A HN 0.380 nan 8.150 nan 0.000 0.444 247 L N -0.903 120.307 121.223 -0.022 0.000 2.395 247 L HA -0.047 4.293 4.340 -0.000 0.000 0.218 247 L C 2.358 179.198 176.870 -0.050 0.000 1.130 247 L CA 0.331 55.146 54.840 -0.041 0.000 0.826 247 L CB -0.297 41.771 42.059 0.015 0.000 0.941 247 L HN 0.452 nan 8.230 nan 0.000 0.451 248 L N 0.182 121.388 121.223 -0.027 0.000 2.109 248 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 248 L C 2.582 179.422 176.870 -0.050 0.000 1.086 248 L CA 1.881 56.707 54.840 -0.024 0.000 0.760 248 L CB -0.627 41.429 42.059 -0.005 0.000 0.910 248 L HN 0.107 nan 8.230 nan 0.000 0.437 249 A N -0.752 122.034 122.820 -0.057 0.000 1.855 249 A HA -0.203 4.117 4.320 -0.000 0.000 0.215 249 A C 2.351 179.859 177.584 -0.128 0.000 1.191 249 A CA 2.488 54.486 52.037 -0.066 0.000 0.613 249 A CB -1.413 17.566 19.000 -0.035 0.000 0.829 249 A HN 0.605 nan 8.150 nan 0.000 0.442 250 T N -2.306 112.108 114.554 -0.235 0.000 2.708 250 T HA -0.019 4.331 4.350 -0.000 0.000 0.266 250 T C 1.965 176.496 174.700 -0.280 0.000 1.037 250 T CA 1.638 63.445 62.100 -0.489 0.000 1.146 250 T CB -1.193 67.074 68.868 -1.002 0.000 0.865 250 T HN 0.481 nan 8.240 nan 0.000 0.435 251 G N 1.363 110.047 108.800 -0.193 0.000 2.450 251 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.220 251 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.220 251 G C 1.867 176.724 174.900 -0.072 0.000 1.130 251 G CA 0.926 45.966 45.100 -0.101 0.000 0.760 251 G HN 0.781 nan 8.290 nan 0.000 0.557 252 A N -0.034 122.739 122.820 -0.078 0.000 1.929 252 A HA 0.179 4.499 4.320 -0.000 0.000 0.216 252 A C 2.589 180.120 177.584 -0.087 0.000 1.176 252 A CA 1.544 53.543 52.037 -0.064 0.000 0.628 252 A CB -0.454 18.513 19.000 -0.055 0.000 0.816 252 A HN 0.231 nan 8.150 nan 0.000 0.444 253 V N 0.106 119.939 119.914 -0.135 0.000 2.255 253 V HA -0.360 3.760 4.120 -0.000 0.000 0.247 253 V C 2.648 178.663 176.094 -0.130 0.000 1.051 253 V CA 2.398 64.565 62.300 -0.222 0.000 1.018 253 V CB -0.749 30.829 31.823 -0.408 0.000 0.641 253 V HN 0.588 nan 8.190 nan 0.000 0.445 254 M N -0.921 118.644 119.600 -0.058 0.000 2.106 254 M HA -0.243 4.237 4.480 -0.000 0.000 0.259 254 M C 2.176 178.465 176.300 -0.019 0.000 1.068 254 M CA 2.117 57.409 55.300 -0.013 0.000 1.100 254 M CB -0.557 32.044 32.600 0.002 0.000 1.351 254 M HN 0.275 nan 8.290 nan 0.000 0.404 255 I N 0.128 120.682 120.570 -0.027 0.000 2.361 255 I HA -0.290 3.879 4.170 -0.000 0.000 0.251 255 I C 1.661 177.767 176.117 -0.018 0.000 1.133 255 I CA 0.993 62.282 61.300 -0.018 0.000 1.413 255 I CB -0.424 37.565 38.000 -0.018 0.000 1.073 255 I HN 0.362 nan 8.210 nan 0.000 0.424 256 N N 0.979 119.660 118.700 -0.032 0.000 2.461 256 N HA 0.019 4.758 4.740 -0.000 0.000 0.188 256 N C 0.754 176.254 175.510 -0.017 0.000 1.134 256 N CA 0.456 53.490 53.050 -0.026 0.000 0.878 256 N CB 0.197 38.660 38.487 -0.041 0.000 0.972 256 N HN 0.376 nan 8.380 nan 0.000 0.456 257 R N 0.303 120.795 120.500 -0.014 0.000 2.633 257 R HA 0.308 4.648 4.340 -0.000 0.000 0.348 257 R C 0.399 176.704 176.300 0.008 0.000 1.100 257 R CA -0.051 56.051 56.100 0.003 0.000 1.068 257 R CB 0.523 30.830 30.300 0.010 0.000 1.351 257 R HN -0.019 nan 8.270 nan 0.000 0.575 258 A N 0.750 123.572 122.820 0.005 0.000 2.826 258 A HA -0.281 4.039 4.320 -0.000 0.000 0.274 258 A C 1.685 179.276 177.584 0.012 0.000 1.443 258 A CA 1.196 53.238 52.037 0.008 0.000 0.833 258 A CB -2.201 16.806 19.000 0.011 0.000 1.023 258 A HN 0.603 nan 8.150 nan 0.000 0.600 259 S N -1.638 114.069 115.700 0.011 0.000 2.335 259 S HA 0.322 4.792 4.470 -0.000 0.000 0.216 259 S C 2.442 177.052 174.600 0.016 0.000 1.032 259 S CA 1.720 59.929 58.200 0.016 0.000 1.000 259 S CB -0.606 62.603 63.200 0.014 0.000 0.928 259 S HN 2.561 nan 8.310 nan 0.000 0.434 260 G N 0.083 108.890 108.800 0.012 0.000 2.148 260 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.203 260 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.203 260 G C -0.119 174.789 174.900 0.014 0.000 0.993 260 G CA -0.007 45.100 45.100 0.012 0.000 0.661 260 G HN 0.796 nan 8.290 nan 0.000 0.518 261 Q N -0.499 119.311 119.800 0.017 0.000 3.513 261 Q HA 0.177 4.517 4.340 -0.000 0.000 0.135 261 Q C -1.224 174.795 176.000 0.032 0.000 0.971 261 Q CA 0.032 55.847 55.803 0.020 0.000 1.273 261 Q CB 0.144 28.892 28.738 0.018 0.000 1.565 261 Q HN 0.765 nan 8.270 nan 0.000 0.600 262 N N 0.551 119.274 118.700 0.039 0.000 3.116 262 N HA 0.210 4.950 4.740 -0.000 0.000 0.244 262 N C -0.809 174.746 175.510 0.076 0.000 1.485 262 N CA -0.483 52.598 53.050 0.051 0.000 0.884 262 N CB 0.793 39.293 38.487 0.022 0.000 1.415 262 N HN 0.486 nan 8.380 nan 0.000 0.524 263 D N -2.002 118.461 120.400 0.104 0.000 2.328 263 D HA 0.239 4.879 4.640 -0.000 0.000 0.221 263 D C 1.190 177.543 176.300 0.088 0.000 1.072 263 D CA 0.643 54.734 54.000 0.152 0.000 0.850 263 D CB -0.219 40.739 40.800 0.264 0.000 0.922 263 D HN 1.016 nan 8.370 nan 0.000 0.516 264 G N -0.463 108.342 108.800 0.008 0.000 2.195 264 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.224 264 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.224 264 G C 0.495 175.292 174.900 -0.173 0.000 0.990 264 G CA 0.322 45.379 45.100 -0.071 0.000 0.639 264 G HN 0.376 nan 8.290 nan 0.000 0.514 265 L N -0.734 120.385 121.223 -0.174 0.000 2.753 265 L HA 0.584 4.924 4.340 -0.000 0.000 0.238 265 L C 0.465 177.218 176.870 -0.196 0.000 1.028 265 L CA 0.651 55.324 54.840 -0.278 0.000 0.966 265 L CB 1.286 42.990 42.059 -0.593 0.000 1.681 265 L HN 0.101 nan 8.230 nan 0.000 0.511 266 V N 0.472 120.299 119.914 -0.145 0.000 2.555 266 V HA 0.558 4.678 4.120 -0.000 0.000 0.302 266 V C -0.009 176.095 176.094 0.016 0.000 1.038 266 V CA -0.487 61.781 62.300 -0.054 0.000 0.887 266 V CB 1.585 33.398 31.823 -0.015 0.000 0.991 266 V HN 0.320 nan 8.190 nan 0.000 0.434 267 S N 4.790 120.508 115.700 0.029 0.000 2.672 267 S HA 0.405 4.875 4.470 -0.000 0.000 0.276 267 S C 1.083 175.726 174.600 0.072 0.000 1.207 267 S CA -0.482 57.745 58.200 0.046 0.000 1.002 267 S CB 1.450 64.672 63.200 0.038 0.000 0.998 267 S HN 0.708 nan 8.310 nan 0.000 0.542 268 R N -0.088 120.455 120.500 0.071 0.000 2.094 268 R HA -0.135 4.205 4.340 -0.000 0.000 0.239 268 R C 2.108 178.463 176.300 0.091 0.000 1.137 268 R CA 2.242 58.392 56.100 0.083 0.000 0.943 268 R CB -1.277 29.058 30.300 0.058 0.000 0.850 268 R HN 0.849 nan 8.270 nan 0.000 0.433 269 c N -0.374 118.271 118.600 0.075 0.000 2.429 269 c HA -0.041 4.529 4.570 -0.000 0.000 0.277 269 c C 3.049 177.202 174.090 0.104 0.000 1.262 269 c CA 1.222 57.599 56.329 0.079 0.000 1.733 269 c CB -0.907 41.640 42.510 0.061 0.000 2.010 269 c HN 0.613 nan 8.230 nan 0.000 0.483 270 S N 1.075 116.837 115.700 0.102 0.000 2.423 270 S HA -0.129 4.341 4.470 -0.000 0.000 0.231 270 S C 2.086 176.800 174.600 0.189 0.000 1.014 270 S CA 1.740 60.016 58.200 0.125 0.000 0.965 270 S CB -0.344 62.905 63.200 0.080 0.000 0.785 270 S HN 0.792 nan 8.310 nan 0.000 0.495 271 S N 1.071 116.877 115.700 0.176 0.000 2.428 271 S HA 0.112 4.582 4.470 -0.000 0.000 0.230 271 S C 0.665 175.467 174.600 0.336 0.000 1.014 271 S CA 0.048 58.382 58.200 0.224 0.000 0.957 271 S CB -0.828 62.483 63.200 0.184 0.000 0.784 271 S HN 0.504 nan 8.310 nan 0.000 0.499 272 L N 1.986 123.364 121.223 0.259 0.000 2.462 272 L HA 0.441 4.781 4.340 -0.000 0.000 0.272 272 L C -0.405 176.602 176.870 0.228 0.000 1.166 272 L CA -0.173 54.800 54.840 0.222 0.000 0.880 272 L CB -0.105 42.038 42.059 0.139 0.000 1.142 272 L HN 0.366 nan 8.230 nan 0.000 0.473 273 F N 2.719 122.680 119.950 0.019 0.000 2.622 273 F HA 0.592 5.119 4.527 -0.000 0.000 0.318 273 F C 0.515 176.317 175.800 0.003 0.000 1.135 273 F CA 0.338 58.281 58.000 -0.096 0.000 1.015 273 F CB 1.203 40.066 39.000 -0.228 0.000 1.275 273 F HN 0.684 nan 8.300 nan 0.000 0.457 274 G N 4.611 113.024 108.800 -0.645 0.000 2.574 274 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.286 274 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.286 274 G C -0.398 174.392 174.900 -0.183 0.000 1.212 274 G CA 0.365 45.152 45.100 -0.521 0.000 0.979 274 G HN 0.986 nan 8.290 nan 0.000 0.557 275 Q N 0.057 119.782 119.800 -0.124 0.000 2.337 275 Q HA 0.509 4.849 4.340 -0.000 0.000 0.255 275 Q C -0.083 176.044 176.000 0.211 0.000 0.997 275 Q CA -0.602 55.215 55.803 0.024 0.000 0.925 275 Q CB 0.852 29.580 28.738 -0.017 0.000 1.212 275 Q HN 0.534 nan 8.270 nan 0.000 0.436 276 V N 6.883 126.907 119.914 0.182 0.000 2.427 276 V HA -0.013 4.107 4.120 -0.000 0.000 0.268 276 V C 1.325 177.574 176.094 0.258 0.000 1.046 276 V CA -0.172 62.275 62.300 0.245 0.000 0.970 276 V CB 0.581 32.508 31.823 0.174 0.000 1.001 276 V HN 0.892 nan 8.190 nan 0.000 0.476 277 I N 2.997 123.787 120.570 0.367 0.000 2.233 277 I HA 0.002 4.172 4.170 -0.000 0.000 0.243 277 I C 1.066 177.272 176.117 0.149 0.000 1.093 277 I CA 1.385 62.860 61.300 0.291 0.000 1.380 277 I CB -0.155 38.060 38.000 0.358 0.000 1.067 277 I HN 0.722 nan 8.210 nan 0.000 0.413 278 S N -1.006 114.799 115.700 0.174 0.000 2.580 278 S HA 0.280 4.750 4.470 -0.000 0.000 0.281 278 S C 0.122 174.730 174.600 0.013 0.000 1.129 278 S CA -0.106 58.048 58.200 -0.076 0.000 0.862 278 S CB 1.114 64.006 63.200 -0.513 0.000 1.090 278 S HN 0.272 nan 8.310 nan 0.000 0.451 279 T N 0.103 114.617 114.554 -0.067 0.000 3.182 279 T HA 0.267 4.617 4.350 -0.000 0.000 0.277 279 T C 0.793 175.403 174.700 -0.150 0.000 1.013 279 T CA 0.101 62.210 62.100 0.014 0.000 0.900 279 T CB 0.076 68.987 68.868 0.071 0.000 1.098 279 T HN 0.345 nan 8.240 nan 0.000 0.543 280 S N 0.566 116.028 115.700 -0.397 0.000 2.593 280 S HA 0.212 4.682 4.470 -0.000 0.000 0.217 280 S C -0.136 174.108 174.600 -0.594 0.000 0.966 280 S CA -0.507 57.428 58.200 -0.440 0.000 0.914 280 S CB -0.505 62.453 63.200 -0.404 0.000 0.776 280 S HN 0.572 nan 8.310 nan 0.000 0.523 281 Y N 2.356 122.373 120.300 -0.471 0.000 2.526 281 Y HA 0.091 4.641 4.550 -0.000 0.000 0.330 281 Y C 0.833 176.346 175.900 -0.645 0.000 1.156 281 Y CA -0.712 56.914 58.100 -0.791 0.000 1.419 281 Y CB -0.329 37.308 38.460 -1.371 0.000 1.250 281 Y HN 0.222 nan 8.280 nan 0.000 0.540 282 H N 2.469 121.408 119.070 -0.218 0.000 3.460 282 H HA 0.041 4.597 4.556 0.000 0.000 0.238 282 H C -1.022 174.415 175.328 0.182 0.000 1.752 282 H CA -0.024 56.017 56.048 -0.012 0.000 1.503 282 H CB -0.562 29.209 29.762 0.015 0.000 1.830 282 H HN 0.390 nan 8.280 nan 0.000 0.614 283 W N 1.552 122.955 121.300 0.171 0.000 2.819 283 W HA 0.208 4.868 4.660 -0.000 0.000 0.337 283 W C -0.031 176.556 176.519 0.113 0.000 1.077 283 W CA -1.399 56.026 57.345 0.134 0.000 1.226 283 W CB 0.780 30.321 29.460 0.135 0.000 1.419 283 W HN 0.381 nan 8.180 nan 0.000 0.502 284 N N -0.466 118.420 118.700 0.310 0.000 2.491 284 N HA 0.140 4.880 4.740 -0.000 0.000 0.279 284 N C 0.777 176.417 175.510 0.217 0.000 1.236 284 N CA -0.286 52.893 53.050 0.216 0.000 0.982 284 N CB 0.271 38.838 38.487 0.133 0.000 1.194 284 N HN 0.431 nan 8.380 nan 0.000 0.582 285 H N -1.003 118.121 119.070 0.090 0.000 2.457 285 H HA 0.109 4.665 4.556 -0.000 0.000 0.297 285 H C 1.084 176.457 175.328 0.075 0.000 1.092 285 H CA 1.665 57.776 56.048 0.105 0.000 1.309 285 H CB 0.047 29.860 29.762 0.084 0.000 1.382 285 H HN 0.495 nan 8.280 nan 0.000 0.535 286 L N -0.941 120.257 121.223 -0.043 0.000 2.463 286 L HA 0.006 4.346 4.340 -0.000 0.000 0.219 286 L C 1.578 178.237 176.870 -0.351 0.000 1.088 286 L CA 0.325 55.011 54.840 -0.257 0.000 0.849 286 L CB -0.012 41.925 42.059 -0.203 0.000 1.012 286 L HN 0.159 nan 8.230 nan 0.000 0.468 287 D N 1.019 121.255 120.400 -0.273 0.000 2.182 287 D HA -0.198 4.441 4.640 -0.000 0.000 0.201 287 D C 1.867 177.692 176.300 -0.792 0.000 0.986 287 D CA 1.119 54.852 54.000 -0.445 0.000 0.847 287 D CB 0.073 40.679 40.800 -0.324 0.000 0.942 287 D HN 0.385 nan 8.370 nan 0.000 0.467 288 E N 0.101 119.919 120.200 -0.637 0.000 2.130 288 E HA -0.167 4.183 4.350 -0.000 0.000 0.196 288 E C 1.594 177.815 176.600 -0.632 0.000 0.998 288 E CA 0.852 56.879 56.400 -0.622 0.000 0.806 288 E CB -0.120 29.468 29.700 -0.188 0.000 0.738 288 E HN 0.500 nan 8.360 nan 0.000 0.459 289 I N -1.898 118.215 120.570 -0.762 0.000 3.856 289 I HA 0.288 4.458 4.170 -0.000 0.000 0.333 289 I C 0.018 175.850 176.117 -0.474 0.000 1.525 289 I CA -0.573 60.269 61.300 -0.764 0.000 1.173 289 I CB 0.041 37.225 38.000 -1.360 0.000 1.175 289 I HN -0.129 nan 8.210 nan 0.000 0.424 290 N N 2.037 120.485 118.700 -0.420 0.000 2.725 290 N HA -0.253 4.487 4.740 -0.000 0.000 0.251 290 N C -0.283 175.061 175.510 -0.277 0.000 1.031 290 N CA 0.877 53.763 53.050 -0.274 0.000 0.720 290 N CB -0.774 37.662 38.487 -0.084 0.000 0.930 290 N HN 0.749 nan 8.380 nan 0.000 0.543 291 Q N 0.555 120.133 119.800 -0.370 0.000 2.348 291 Q HA 0.784 5.124 4.340 -0.000 0.000 0.271 291 Q C -0.193 175.605 176.000 -0.336 0.000 1.067 291 Q CA -0.611 54.953 55.803 -0.398 0.000 0.839 291 Q CB 0.940 29.393 28.738 -0.475 0.000 1.354 291 Q HN 0.263 nan 8.270 nan 0.000 0.447 292 L N 4.492 125.478 121.223 -0.395 0.000 2.411 292 L HA -0.189 4.151 4.340 -0.000 0.000 0.718 292 L C -0.742 175.868 176.870 -0.433 0.000 1.181 292 L CA -0.080 54.545 54.840 -0.358 0.000 1.407 292 L CB -1.097 40.821 42.059 -0.236 0.000 2.162 292 L HN 0.924 nan 8.230 nan 0.000 0.965 293 L N 0.520 121.286 121.223 -0.763 0.000 3.762 293 L HA -0.302 4.038 4.340 -0.000 0.000 0.460 293 L C 1.457 177.909 176.870 -0.696 0.000 1.255 293 L CA 1.048 55.170 54.840 -1.197 0.000 0.783 293 L CB -1.990 39.725 42.059 -0.572 0.000 1.600 293 L HN 1.031 nan 8.230 nan 0.000 0.862 294 G N -1.522 106.952 108.800 -0.543 0.000 2.184 294 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.264 294 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.264 294 G C 0.242 175.065 174.900 -0.129 0.000 0.975 294 G CA 0.125 45.128 45.100 -0.161 0.000 0.642 294 G HN 0.400 nan 8.290 nan 0.000 0.536 295 V N 0.567 120.383 119.914 -0.163 0.000 2.555 295 V HA 0.645 4.765 4.120 -0.000 0.000 0.286 295 V C 0.779 176.822 176.094 -0.086 0.000 1.044 295 V CA 0.108 62.347 62.300 -0.102 0.000 1.026 295 V CB 1.128 32.890 31.823 -0.101 0.000 0.981 295 V HN 0.476 nan 8.190 nan 0.000 0.480 296 R N 2.276 122.753 120.500 -0.038 0.000 2.837 296 R HA 0.667 5.007 4.340 -0.000 0.000 0.271 296 R C 0.343 176.661 176.300 0.030 0.000 0.993 296 R CA -0.356 55.745 56.100 0.001 0.000 0.931 296 R CB 1.676 31.996 30.300 0.033 0.000 1.206 296 R HN 0.871 nan 8.270 nan 0.000 0.474 297 G N -0.127 108.710 108.800 0.062 0.000 2.684 297 G HA2 0.308 4.268 3.960 -0.000 0.000 0.255 297 G HA3 0.308 4.268 3.960 -0.000 0.000 0.255 297 G C 0.727 175.661 174.900 0.057 0.000 1.219 297 G CA 0.062 45.196 45.100 0.057 0.000 0.901 297 G HN 0.645 nan 8.290 nan 0.000 0.548 298 A N -0.087 122.752 122.820 0.032 0.000 2.019 298 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 298 A C 1.872 179.460 177.584 0.007 0.000 1.164 298 A CA 1.541 53.587 52.037 0.016 0.000 0.644 298 A CB -0.156 18.843 19.000 -0.001 0.000 0.805 298 A HN 0.533 nan 8.150 nan 0.000 0.449 299 N N -0.512 118.187 118.700 -0.002 0.000 2.205 299 N HA 0.265 5.005 4.740 -0.000 0.000 0.201 299 N C 0.230 175.758 175.510 0.029 0.000 1.128 299 N CA 0.630 53.633 53.050 -0.078 0.000 0.867 299 N CB 0.208 38.550 38.487 -0.242 0.000 0.996 299 N HN 0.393 nan 8.380 nan 0.000 0.503 300 A N 1.003 123.924 122.820 0.170 0.000 2.401 300 A HA 0.336 4.656 4.320 -0.000 0.000 0.259 300 A C 0.269 178.071 177.584 0.364 0.000 1.103 300 A CA -0.241 52.016 52.037 0.367 0.000 0.789 300 A CB 0.541 19.809 19.000 0.447 0.000 1.035 300 A HN 0.053 nan 8.150 nan 0.000 0.491 301 E N 0.677 121.159 120.200 0.470 0.000 2.371 301 E HA 0.274 4.624 4.350 -0.000 0.000 0.257 301 E C -0.456 176.461 176.600 0.529 0.000 1.134 301 E CA -0.219 56.411 56.400 0.382 0.000 0.919 301 E CB 0.503 30.333 29.700 0.217 0.000 1.025 301 E HN 0.613 nan 8.360 nan 0.000 0.438 302 D N 1.342 121.927 120.400 0.308 0.000 2.338 302 D HA 0.086 4.726 4.640 -0.000 0.000 0.255 302 D C -1.900 174.515 176.300 0.193 0.000 1.237 302 D CA -1.981 52.137 54.000 0.196 0.000 0.883 302 D CB 0.904 41.770 40.800 0.109 0.000 1.087 302 D HN 0.064 nan 8.370 nan 0.000 0.485 303 P HA -0.188 nan 4.420 nan 0.000 0.216 303 P C 1.450 178.725 177.300 -0.043 0.000 1.153 303 P CA 0.597 63.534 63.100 -0.272 0.000 0.858 303 P CB 0.303 31.696 31.700 -0.512 0.000 0.789 304 V N -0.318 119.594 119.914 -0.003 0.000 2.515 304 V HA -0.206 3.914 4.120 -0.000 0.000 0.250 304 V C 2.401 178.522 176.094 0.046 0.000 1.058 304 V CA 2.083 64.407 62.300 0.040 0.000 1.064 304 V CB -1.638 30.208 31.823 0.037 0.000 0.675 304 V HN 0.103 nan 8.190 nan 0.000 0.461 305 A N -0.238 122.606 122.820 0.040 0.000 1.898 305 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 305 A C 2.398 180.003 177.584 0.035 0.000 1.181 305 A CA 1.823 53.876 52.037 0.027 0.000 0.620 305 A CB -0.626 18.392 19.000 0.031 0.000 0.819 305 A HN 0.298 nan 8.150 nan 0.000 0.442 306 V N 0.509 120.443 119.914 0.033 0.000 2.255 306 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 306 V C 2.457 178.515 176.094 -0.059 0.000 1.051 306 V CA 2.292 64.550 62.300 -0.070 0.000 1.018 306 V CB -0.706 31.051 31.823 -0.110 0.000 0.641 306 V HN 0.586 nan 8.190 nan 0.000 0.445 307 I N -0.671 119.965 120.570 0.110 0.000 2.226 307 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 307 I C 2.756 178.991 176.117 0.196 0.000 1.100 307 I CA 1.729 63.198 61.300 0.282 0.000 1.374 307 I CB -0.480 37.714 38.000 0.322 0.000 1.057 307 I HN 0.236 nan 8.210 nan 0.000 0.413 308 R N 0.556 121.128 120.500 0.120 0.000 2.075 308 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 308 R C 2.292 178.677 176.300 0.142 0.000 1.126 308 R CA 1.998 58.164 56.100 0.110 0.000 0.963 308 R CB -0.255 30.070 30.300 0.043 0.000 0.858 308 R HN 0.272 nan 8.270 nan 0.000 0.435 309 T N -0.033 114.603 114.554 0.138 0.000 2.759 309 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 309 T C 1.586 176.285 174.700 -0.001 0.000 1.042 309 T CA 1.354 63.524 62.100 0.117 0.000 1.140 309 T CB -0.393 68.522 68.868 0.078 0.000 0.864 309 T HN 0.432 nan 8.240 nan 0.000 0.455 310 H N 0.369 119.410 119.070 -0.049 0.000 2.395 310 H HA 0.019 4.575 4.556 -0.000 0.000 0.299 310 H C 2.175 177.469 175.328 -0.057 0.000 1.070 310 H CA 1.125 57.139 56.048 -0.058 0.000 1.356 310 H CB -0.044 29.755 29.762 0.062 0.000 1.401 310 H HN 0.169 nan 8.280 nan 0.000 0.524 311 V N 1.624 121.471 119.914 -0.111 0.000 2.515 311 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 311 V C 2.321 178.268 176.094 -0.246 0.000 1.058 311 V CA 1.895 64.109 62.300 -0.143 0.000 1.064 311 V CB -0.681 31.131 31.823 -0.018 0.000 0.675 311 V HN 0.483 nan 8.190 nan 0.000 0.461 312 N N 0.785 119.280 118.700 -0.341 0.000 2.166 312 N HA -0.230 4.510 4.740 -0.000 0.000 0.186 312 N C 1.990 177.298 175.510 -0.336 0.000 1.019 312 N CA 1.685 54.429 53.050 -0.511 0.000 0.856 312 N CB -0.308 37.572 38.487 -1.011 0.000 0.993 312 N HN 0.411 nan 8.380 nan 0.000 0.426 313 R N 0.293 120.611 120.500 -0.304 0.000 2.096 313 R HA -0.122 4.218 4.340 -0.000 0.000 0.240 313 R C 2.023 178.192 176.300 -0.220 0.000 1.139 313 R CA 1.590 57.542 56.100 -0.246 0.000 0.952 313 R CB -0.446 29.662 30.300 -0.319 0.000 0.854 313 R HN 0.321 nan 8.270 nan 0.000 0.436 314 L N 0.937 121.967 121.223 -0.323 0.000 2.012 314 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 314 L C 2.865 179.684 176.870 -0.084 0.000 1.073 314 L CA 1.872 56.617 54.840 -0.159 0.000 0.748 314 L CB -0.661 41.303 42.059 -0.158 0.000 0.891 314 L HN 0.313 nan 8.230 nan 0.000 0.431 315 K N 0.779 121.101 120.400 -0.130 0.000 2.044 315 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 315 K C 2.104 178.653 176.600 -0.085 0.000 1.049 315 K CA 1.575 57.795 56.287 -0.112 0.000 0.927 315 K CB -0.156 32.249 32.500 -0.159 0.000 0.713 315 K HN 0.281 nan 8.250 nan 0.000 0.443 316 L N 0.629 121.796 121.223 -0.092 0.000 2.141 316 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 316 L C 2.348 179.213 176.870 -0.009 0.000 1.094 316 L CA 0.777 55.587 54.840 -0.050 0.000 0.763 316 L CB -0.384 41.645 42.059 -0.050 0.000 0.908 316 L HN 0.264 nan 8.230 nan 0.000 0.437 317 Q N 0.069 119.878 119.800 0.014 0.000 2.435 317 Q HA 0.021 4.360 4.340 -0.000 0.000 0.207 317 Q C 1.542 177.576 176.000 0.057 0.000 0.956 317 Q CA 0.958 56.798 55.803 0.063 0.000 0.917 317 Q CB 0.251 29.068 28.738 0.131 0.000 0.997 317 Q HN 0.614 nan 8.270 nan 0.000 0.497 318 G N 0.149 108.963 108.800 0.025 0.000 2.144 318 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 318 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 318 G C 0.280 175.190 174.900 0.017 0.000 0.988 318 G CA 0.232 45.338 45.100 0.010 0.000 0.659 318 G HN 0.274 nan 8.290 nan 0.000 0.522 319 V N 0.000 119.948 119.914 0.056 0.000 2.409 319 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 319 V CA 0.000 62.395 62.300 0.158 0.000 1.235 319 V CB 0.000 31.996 31.823 0.288 0.000 1.184 319 V HN 0.000 nan 8.190 nan 0.000 0.556