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 1vcw_1_C DATA FIRST_RESID 42 DATA SEQUENCE MTPASYNLAV RRAAPAVVNV YNRGLNTNSH NQLEIRTLGS GVIMDQRGYI DATA SEQUENCE ITNKHVINDA DQIIVALQDG RVFEALLVGS DSLTDLAVLK INATGGLPTI DATA SEQUENCE PINARRVPHI GDVVLAIGNP YNLGQTITQG IISATGRIGL NPTGRQNFLQ DATA SEQUENCE TDASINHGNS GGALVNSLGE LMGINTLSFD KSNDGETPEG IGFAIPFQLA DATA SEQUENCE TKIMDKLIRD GRVIRGYIGI GGRXXXXXXX XXXXXXXXXG IVVNEVSPDG DATA SEQUENCE PAANAGIQVN DLIISVDNKP AISALETMDQ VAEIRPGSVI PVVVXXXXXQ DATA SEQUENCE LTLQVTIQEY PA 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 42 M HA 0.000 nan 4.480 nan 0.000 0.227 42 M C 0.000 176.287 176.300 -0.021 0.000 1.140 42 M CA 0.000 55.289 55.300 -0.018 0.000 0.988 42 M CB 0.000 32.589 32.600 -0.019 0.000 1.302 43 T N 1.197 115.734 114.554 -0.027 0.000 2.876 43 T HA 0.710 5.059 4.350 -0.001 0.000 0.289 43 T C -2.662 172.012 174.700 -0.043 0.000 1.014 43 T CA -0.978 61.102 62.100 -0.033 0.000 0.986 43 T CB 1.327 70.173 68.868 -0.036 0.000 1.021 43 T HN 0.344 nan 8.240 nan 0.000 0.458 44 P HA 0.485 nan 4.420 nan 0.000 0.271 44 P C -0.589 176.660 177.300 -0.086 0.000 1.216 44 P CA -0.605 62.462 63.100 -0.054 0.000 0.771 44 P CB 0.193 31.866 31.700 -0.044 0.000 0.864 45 A N 2.118 124.877 122.820 -0.101 0.000 2.565 45 A HA 0.424 4.744 4.320 -0.001 0.000 0.237 45 A C 0.501 177.946 177.584 -0.231 0.000 1.053 45 A CA 0.572 52.507 52.037 -0.169 0.000 0.755 45 A CB -0.440 18.467 19.000 -0.156 0.000 0.980 45 A HN 0.588 nan 8.150 nan 0.000 0.506 46 S N 1.040 116.527 115.700 -0.355 0.000 2.543 46 S HA 0.539 5.008 4.470 -0.001 0.000 0.274 46 S C -0.862 173.457 174.600 -0.468 0.000 1.149 46 S CA -0.536 57.456 58.200 -0.347 0.000 0.866 46 S CB 0.525 63.636 63.200 -0.149 0.000 1.111 46 S HN 0.569 nan 8.310 nan 0.000 0.457 47 Y N 2.883 123.177 120.300 -0.010 0.000 2.636 47 Y HA 0.366 4.915 4.550 -0.001 0.000 0.260 47 Y C 2.105 177.997 175.900 -0.013 0.000 1.177 47 Y CA -0.407 57.686 58.100 -0.012 0.000 1.209 47 Y CB 0.133 38.585 38.460 -0.013 0.000 1.166 47 Y HN 0.746 nan 8.280 nan 0.000 0.531 48 N N 1.148 119.885 118.700 0.061 0.000 2.094 48 N HA -0.212 4.527 4.740 -0.001 0.000 0.191 48 N C 1.988 177.518 175.510 0.034 0.000 1.023 48 N CA 1.331 54.405 53.050 0.040 0.000 0.857 48 N CB -0.040 38.452 38.487 0.008 0.000 1.013 48 N HN 0.458 nan 8.380 nan 0.000 0.426 49 L N 1.624 122.863 121.223 0.026 0.000 1.997 49 L HA -0.173 4.166 4.340 -0.001 0.000 0.216 49 L C 2.429 179.315 176.870 0.026 0.000 1.074 49 L CA 2.358 57.209 54.840 0.019 0.000 0.763 49 L CB -1.230 40.839 42.059 0.016 0.000 0.890 49 L HN 0.221 nan 8.230 nan 0.000 0.434 50 A N -1.078 121.772 122.820 0.050 0.000 1.908 50 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 50 A C 2.270 179.865 177.584 0.019 0.000 1.181 50 A CA 2.277 54.335 52.037 0.034 0.000 0.627 50 A CB -1.243 17.789 19.000 0.053 0.000 0.818 50 A HN 0.380 nan 8.150 nan 0.000 0.445 51 V N 0.062 119.995 119.914 0.033 0.000 2.295 51 V HA -0.297 3.822 4.120 -0.001 0.000 0.246 51 V C 2.640 178.738 176.094 0.008 0.000 1.049 51 V CA 2.291 64.602 62.300 0.019 0.000 1.024 51 V CB -0.887 30.953 31.823 0.028 0.000 0.648 51 V HN 0.534 nan 8.190 nan 0.000 0.447 52 R N -0.030 120.475 120.500 0.009 0.000 2.083 52 R HA -0.144 4.196 4.340 -0.001 0.000 0.237 52 R C 2.528 178.826 176.300 -0.003 0.000 1.137 52 R CA 1.661 57.762 56.100 0.003 0.000 0.951 52 R CB -0.417 29.885 30.300 0.003 0.000 0.851 52 R HN 0.478 nan 8.270 nan 0.000 0.434 53 R N -0.215 120.282 120.500 -0.005 0.000 2.120 53 R HA -0.062 4.277 4.340 -0.001 0.000 0.234 53 R C 1.768 178.055 176.300 -0.021 0.000 1.123 53 R CA 1.435 57.527 56.100 -0.013 0.000 0.975 53 R CB 0.018 30.309 30.300 -0.016 0.000 0.866 53 R HN 0.231 nan 8.270 nan 0.000 0.446 54 A N -0.487 122.320 122.820 -0.021 0.000 2.340 54 A HA 0.392 4.711 4.320 -0.001 0.000 0.213 54 A C 1.863 179.432 177.584 -0.026 0.000 1.299 54 A CA 0.362 52.381 52.037 -0.030 0.000 0.994 54 A CB 0.245 19.220 19.000 -0.041 0.000 1.132 54 A HN 0.222 nan 8.150 nan 0.000 0.519 55 A N 1.511 124.321 122.820 -0.018 0.000 1.883 55 A HA -0.021 4.299 4.320 -0.001 0.000 0.217 55 A C -0.008 177.566 177.584 -0.017 0.000 1.186 55 A CA 2.048 54.076 52.037 -0.015 0.000 0.624 55 A CB -1.699 17.298 19.000 -0.006 0.000 0.822 55 A HN 0.378 nan 8.150 nan 0.000 0.444 56 P HA -0.152 nan 4.420 nan 0.000 0.219 56 P C 1.243 178.529 177.300 -0.023 0.000 1.144 56 P CA 1.787 64.879 63.100 -0.013 0.000 0.806 56 P CB -0.033 31.661 31.700 -0.010 0.000 0.771 57 A N -1.073 121.728 122.820 -0.030 0.000 2.195 57 A HA 0.128 4.447 4.320 -0.001 0.000 0.210 57 A C 0.913 178.468 177.584 -0.048 0.000 1.165 57 A CA 0.135 52.148 52.037 -0.041 0.000 0.806 57 A CB -0.752 18.224 19.000 -0.041 0.000 0.847 57 A HN 0.170 nan 8.150 nan 0.000 0.482 58 V N -1.083 118.805 119.914 -0.043 0.000 2.546 58 V HA 0.660 4.780 4.120 -0.001 0.000 0.284 58 V C -0.334 175.725 176.094 -0.058 0.000 1.050 58 V CA -0.662 61.607 62.300 -0.052 0.000 0.981 58 V CB 1.030 32.825 31.823 -0.046 0.000 0.990 58 V HN 0.041 nan 8.190 nan 0.000 0.474 59 V N 3.900 123.767 119.914 -0.079 0.000 2.960 59 V HA 0.454 4.574 4.120 -0.001 0.000 0.315 59 V C 0.060 176.064 176.094 -0.149 0.000 1.087 59 V CA -0.922 61.319 62.300 -0.097 0.000 0.982 59 V CB 2.014 33.775 31.823 -0.104 0.000 1.039 59 V HN 0.999 nan 8.190 nan 0.000 0.437 60 N N 0.736 119.310 118.700 -0.210 0.000 2.419 60 N HA 0.472 5.212 4.740 -0.001 0.000 0.264 60 N C -1.094 174.061 175.510 -0.591 0.000 1.031 60 N CA -0.331 52.477 53.050 -0.403 0.000 0.951 60 N CB 1.647 39.843 38.487 -0.486 0.000 1.101 60 N HN 0.379 nan 8.380 nan 0.000 0.488 61 V N 3.789 123.404 119.914 -0.497 0.000 2.398 61 V HA 0.269 4.389 4.120 -0.001 0.000 0.286 61 V C -0.754 175.108 176.094 -0.387 0.000 1.026 61 V CA -0.555 61.520 62.300 -0.375 0.000 0.868 61 V CB 0.268 31.974 31.823 -0.195 0.000 0.982 61 V HN 0.565 nan 8.190 nan 0.000 0.443 62 Y N 3.147 123.448 120.300 0.000 0.000 2.328 62 Y HA 0.359 4.909 4.550 -0.001 0.000 0.337 62 Y C 0.543 176.446 175.900 0.006 0.000 0.966 62 Y CA -0.476 57.627 58.100 0.005 0.000 1.136 62 Y CB 1.302 39.770 38.460 0.014 0.000 1.170 62 Y HN 0.646 nan 8.280 nan 0.000 0.470 63 N N 4.231 123.028 118.700 0.163 0.000 2.437 63 N HA 0.238 4.977 4.740 -0.001 0.000 0.243 63 N C -1.016 174.547 175.510 0.088 0.000 1.041 63 N CA -0.583 52.523 53.050 0.095 0.000 0.940 63 N CB 0.398 38.924 38.487 0.064 0.000 1.133 63 N HN 0.601 nan 8.380 nan 0.000 0.506 64 R N 2.529 123.073 120.500 0.073 0.000 2.343 64 R HA 0.343 4.683 4.340 -0.001 0.000 0.320 64 R C -0.065 176.257 176.300 0.036 0.000 0.956 64 R CA -0.775 55.354 56.100 0.049 0.000 0.836 64 R CB 1.813 32.139 30.300 0.044 0.000 1.151 64 R HN 0.482 nan 8.270 nan 0.000 0.450 65 G N 1.708 110.525 108.800 0.028 0.000 2.410 65 G HA2 0.383 4.342 3.960 -0.001 0.000 0.330 65 G HA3 0.383 4.342 3.960 -0.001 0.000 0.330 65 G C 0.665 175.575 174.900 0.017 0.000 1.142 65 G CA -0.635 44.478 45.100 0.022 0.000 0.902 65 G HN 0.491 nan 8.290 nan 0.000 0.491 66 L N 0.519 121.751 121.223 0.015 0.000 2.168 66 L HA 0.093 4.432 4.340 -0.001 0.000 0.203 66 L C 1.830 178.705 176.870 0.009 0.000 1.078 66 L CA 0.468 55.317 54.840 0.014 0.000 0.780 66 L CB 0.071 42.138 42.059 0.014 0.000 0.939 66 L HN 0.503 nan 8.230 nan 0.000 0.451 67 N N -0.663 118.040 118.700 0.005 0.000 2.623 67 N HA -0.024 4.716 4.740 -0.001 0.000 0.263 67 N C 0.792 176.297 175.510 -0.008 0.000 1.218 67 N CA 0.236 53.285 53.050 -0.003 0.000 0.949 67 N CB 0.131 38.616 38.487 -0.002 0.000 1.270 67 N HN 0.008 nan 8.380 nan 0.000 0.507 68 T N -1.497 113.053 114.554 -0.006 0.000 3.051 68 T HA 0.060 4.409 4.350 -0.001 0.000 0.255 68 T C 0.129 174.814 174.700 -0.024 0.000 1.085 68 T CA 0.406 62.501 62.100 -0.009 0.000 1.109 68 T CB -0.145 68.723 68.868 0.000 0.000 0.921 68 T HN 0.602 nan 8.240 nan 0.000 0.488 69 N N -0.406 118.273 118.700 -0.034 0.000 2.629 69 N HA 0.344 5.083 4.740 -0.001 0.000 0.279 69 N C 0.744 176.184 175.510 -0.117 0.000 1.344 69 N CA -0.460 52.542 53.050 -0.079 0.000 0.789 69 N CB 0.854 39.302 38.487 -0.065 0.000 1.508 69 N HN -0.127 nan 8.380 nan 0.000 0.516 70 S N -1.929 113.628 115.700 -0.240 0.000 2.428 70 S HA -0.102 4.367 4.470 -0.001 0.000 0.230 70 S C 0.641 175.127 174.600 -0.189 0.000 1.014 70 S CA 0.490 58.547 58.200 -0.239 0.000 0.957 70 S CB -0.642 62.378 63.200 -0.300 0.000 0.784 70 S HN 0.603 nan 8.310 nan 0.000 0.499 71 H N 2.824 121.892 119.070 -0.002 0.000 2.533 71 H HA 0.181 4.737 4.556 -0.001 0.000 0.271 71 H C 0.030 175.357 175.328 -0.002 0.000 1.000 71 H CA 0.196 56.242 56.048 -0.002 0.000 1.149 71 H CB -1.136 28.624 29.762 -0.003 0.000 1.375 71 H HN 0.688 nan 8.280 nan 0.000 0.582 72 N N 1.394 120.127 118.700 0.055 0.000 2.691 72 N HA -0.257 4.482 4.740 -0.001 0.000 0.277 72 N C -0.736 174.801 175.510 0.045 0.000 1.029 72 N CA 0.427 53.498 53.050 0.035 0.000 0.798 72 N CB -1.440 37.062 38.487 0.024 0.000 0.922 72 N HN 0.519 nan 8.380 nan 0.000 0.562 73 Q N -0.144 119.685 119.800 0.048 0.000 2.378 73 Q HA 0.532 4.871 4.340 -0.001 0.000 0.276 73 Q C -0.018 175.997 176.000 0.025 0.000 1.083 73 Q CA -1.219 54.607 55.803 0.038 0.000 0.856 73 Q CB 1.481 30.248 28.738 0.047 0.000 1.383 73 Q HN 0.352 nan 8.270 nan 0.000 0.458 74 L N 1.807 123.041 121.223 0.017 0.000 2.515 74 L HA 0.162 4.501 4.340 -0.001 0.000 0.281 74 L C 0.214 177.089 176.870 0.007 0.000 1.131 74 L CA 0.390 55.238 54.840 0.013 0.000 0.905 74 L CB -0.160 41.907 42.059 0.012 0.000 1.246 74 L HN 0.477 nan 8.230 nan 0.000 0.463 75 E N 3.005 123.210 120.200 0.009 0.000 2.202 75 E HA 0.375 4.724 4.350 -0.001 0.000 0.272 75 E C -0.303 176.299 176.600 0.004 0.000 0.951 75 E CA -0.937 55.464 56.400 0.002 0.000 0.813 75 E CB 1.615 31.318 29.700 0.005 0.000 1.151 75 E HN 0.453 nan 8.360 nan 0.000 0.398 76 I N 5.041 125.605 120.570 -0.010 0.000 2.501 76 I HA 0.020 4.189 4.170 -0.001 0.000 0.305 76 I C 1.539 177.674 176.117 0.031 0.000 1.197 76 I CA 0.162 61.465 61.300 0.003 0.000 1.793 76 I CB -0.343 37.630 38.000 -0.046 0.000 1.521 76 I HN 0.382 nan 8.210 nan 0.000 0.843 77 R N 2.101 122.624 120.500 0.039 0.000 2.139 77 R HA -0.069 4.271 4.340 -0.001 0.000 0.243 77 R C 0.351 176.688 176.300 0.062 0.000 1.145 77 R CA 1.138 57.263 56.100 0.042 0.000 0.976 77 R CB -0.301 30.022 30.300 0.039 0.000 0.866 77 R HN 0.548 nan 8.270 nan 0.000 0.449 78 T N -0.713 113.892 114.554 0.084 0.000 2.637 78 T HA 0.562 4.912 4.350 -0.001 0.000 0.303 78 T C -1.700 173.083 174.700 0.138 0.000 1.288 78 T CA -0.804 61.362 62.100 0.111 0.000 1.040 78 T CB 1.503 70.435 68.868 0.107 0.000 1.644 78 T HN 0.119 nan 8.240 nan 0.000 0.480 79 L N -2.529 118.764 121.223 0.116 0.000 2.940 79 L HA 0.859 5.198 4.340 -0.001 0.000 0.247 79 L C -0.580 176.272 176.870 -0.029 0.000 0.970 79 L CA -0.404 54.496 54.840 0.100 0.000 1.003 79 L CB 0.856 43.070 42.059 0.258 0.000 1.552 79 L HN 1.103 nan 8.230 nan 0.000 0.432 80 G N -0.116 108.621 108.800 -0.104 0.000 2.772 80 G HA2 0.846 4.805 3.960 -0.001 0.000 0.284 80 G HA3 0.846 4.805 3.960 -0.001 0.000 0.284 80 G C -1.428 173.370 174.900 -0.170 0.000 1.217 80 G CA -0.056 44.951 45.100 -0.156 0.000 0.831 80 G HN 0.857 nan 8.290 nan 0.000 0.523 81 S N -1.952 113.654 115.700 -0.156 0.000 2.709 81 S HA 0.921 5.391 4.470 -0.001 0.000 0.302 81 S C -0.278 174.243 174.600 -0.131 0.000 1.127 81 S CA -0.073 58.042 58.200 -0.142 0.000 0.905 81 S CB 1.894 65.031 63.200 -0.104 0.000 1.151 81 S HN 1.589 nan 8.310 nan 0.000 0.510 82 G N -0.241 108.490 108.800 -0.114 0.000 2.698 82 G HA2 0.558 4.517 3.960 -0.001 0.000 0.293 82 G HA3 0.558 4.517 3.960 -0.001 0.000 0.293 82 G C -2.037 172.816 174.900 -0.078 0.000 1.437 82 G CA -0.448 44.595 45.100 -0.095 0.000 0.852 82 G HN 0.594 nan 8.290 nan 0.000 0.499 83 V N 2.021 121.899 119.914 -0.061 0.000 2.357 83 V HA 0.333 4.453 4.120 -0.001 0.000 0.284 83 V C 0.393 176.462 176.094 -0.041 0.000 1.018 83 V CA -0.588 61.683 62.300 -0.050 0.000 0.841 83 V CB 1.325 33.125 31.823 -0.039 0.000 0.991 83 V HN 0.642 nan 8.190 nan 0.000 0.437 84 I N 6.454 126.993 120.570 -0.052 0.000 2.576 84 I HA 0.003 4.172 4.170 -0.001 0.000 0.288 84 I C 1.415 177.518 176.117 -0.022 0.000 1.126 84 I CA 0.034 61.305 61.300 -0.050 0.000 1.362 84 I CB 0.741 38.695 38.000 -0.077 0.000 1.419 84 I HN 0.646 nan 8.210 nan 0.000 0.533 85 M N 3.986 123.592 119.600 0.009 0.000 2.254 85 M HA -0.010 4.469 4.480 -0.001 0.000 0.265 85 M C 0.352 176.669 176.300 0.028 0.000 1.066 85 M CA 1.230 56.543 55.300 0.022 0.000 1.123 85 M CB -1.163 31.459 32.600 0.037 0.000 1.388 85 M HN 0.640 nan 8.290 nan 0.000 0.425 86 D N -2.461 117.969 120.400 0.050 0.000 2.639 86 D HA 0.144 4.784 4.640 -0.001 0.000 0.271 86 D C -0.140 176.178 176.300 0.030 0.000 1.254 86 D CA -0.552 53.477 54.000 0.048 0.000 0.810 86 D CB 0.604 41.453 40.800 0.083 0.000 1.351 86 D HN -0.081 nan 8.370 nan 0.000 0.427 87 Q N -0.857 118.953 119.800 0.016 0.000 2.515 87 Q HA 0.083 4.422 4.340 -0.001 0.000 0.212 87 Q C 1.323 177.308 176.000 -0.024 0.000 0.970 87 Q CA 0.643 56.438 55.803 -0.012 0.000 0.941 87 Q CB 0.072 28.805 28.738 -0.008 0.000 0.998 87 Q HN 0.304 nan 8.270 nan 0.000 0.518 88 R N -1.255 119.249 120.500 0.007 0.000 2.193 88 R HA 0.016 4.355 4.340 -0.001 0.000 0.213 88 R C 1.022 177.202 176.300 -0.200 0.000 1.055 88 R CA 0.818 56.891 56.100 -0.044 0.000 0.995 88 R CB 0.324 30.678 30.300 0.090 0.000 0.893 88 R HN 0.281 nan 8.270 nan 0.000 0.459 89 G N -0.257 108.434 108.800 -0.183 0.000 2.141 89 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.164 89 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.164 89 G C -0.476 174.237 174.900 -0.311 0.000 1.009 89 G CA -0.698 44.243 45.100 -0.265 0.000 0.677 89 G HN 0.215 nan 8.290 nan 0.000 0.508 90 Y N -0.210 120.048 120.300 -0.070 0.000 2.304 90 Y HA 0.696 5.246 4.550 -0.001 0.000 0.328 90 Y C 1.089 176.948 175.900 -0.069 0.000 1.123 90 Y CA -0.435 57.629 58.100 -0.059 0.000 1.218 90 Y CB 1.049 39.485 38.460 -0.040 0.000 1.207 90 Y HN 0.128 nan 8.280 nan 0.000 0.495 91 I N 4.632 125.253 120.570 0.084 0.000 2.533 91 I HA 0.346 4.516 4.170 -0.001 0.000 0.290 91 I C -0.712 175.413 176.117 0.015 0.000 1.056 91 I CA -0.622 60.685 61.300 0.011 0.000 1.057 91 I CB 1.813 39.785 38.000 -0.046 0.000 1.240 91 I HN 0.454 nan 8.210 nan 0.000 0.423 92 I N 4.206 124.773 120.570 -0.004 0.000 2.577 92 I HA 0.525 4.694 4.170 -0.001 0.000 0.300 92 I C 0.318 176.409 176.117 -0.043 0.000 0.990 92 I CA 0.047 61.337 61.300 -0.017 0.000 1.283 92 I CB 1.994 39.984 38.000 -0.016 0.000 1.411 92 I HN 0.595 nan 8.210 nan 0.000 0.515 93 T N 3.105 117.627 114.554 -0.053 0.000 2.658 93 T HA 0.247 4.597 4.350 -0.001 0.000 0.305 93 T C -1.480 173.162 174.700 -0.097 0.000 1.551 93 T CA -0.792 61.257 62.100 -0.085 0.000 0.985 93 T CB 1.031 69.841 68.868 -0.096 0.000 1.731 93 T HN 0.638 nan 8.240 nan 0.000 0.486 94 N N 1.551 120.156 118.700 -0.158 0.000 2.455 94 N HA 0.319 5.058 4.740 -0.001 0.000 0.280 94 N C 1.093 176.486 175.510 -0.196 0.000 1.055 94 N CA -0.609 52.327 53.050 -0.189 0.000 0.961 94 N CB 1.538 39.808 38.487 -0.362 0.000 1.121 94 N HN 0.564 nan 8.380 nan 0.000 0.476 95 K N 2.089 122.451 120.400 -0.064 0.000 2.020 95 K HA -0.272 4.047 4.320 -0.001 0.000 0.212 95 K C 1.631 178.221 176.600 -0.018 0.000 1.050 95 K CA 1.440 57.719 56.287 -0.015 0.000 0.929 95 K CB -0.175 32.355 32.500 0.049 0.000 0.714 95 K HN 0.760 nan 8.250 nan 0.000 0.443 96 H N -0.285 118.819 119.070 0.057 0.000 2.561 96 H HA -0.049 4.507 4.556 -0.001 0.000 0.289 96 H C 1.243 176.617 175.328 0.075 0.000 1.054 96 H CA 0.960 57.059 56.048 0.084 0.000 1.210 96 H CB -0.120 29.736 29.762 0.157 0.000 1.353 96 H HN 0.110 nan 8.280 nan 0.000 0.601 97 V N 1.087 120.832 119.914 -0.282 0.000 2.788 97 V HA -0.090 4.030 4.120 -0.001 0.000 0.241 97 V C 2.229 178.289 176.094 -0.056 0.000 1.083 97 V CA 0.961 63.146 62.300 -0.192 0.000 1.103 97 V CB -0.083 31.579 31.823 -0.268 0.000 0.800 97 V HN 0.443 nan 8.190 nan 0.000 0.476 98 I N -1.916 118.622 120.570 -0.053 0.000 3.883 98 I HA 0.274 4.443 4.170 -0.001 0.000 0.326 98 I C 0.630 176.754 176.117 0.012 0.000 1.283 98 I CA -0.616 60.677 61.300 -0.012 0.000 1.161 98 I CB -1.161 36.828 38.000 -0.018 0.000 1.012 98 I HN 0.012 nan 8.210 nan 0.000 0.421 99 N N 2.999 121.713 118.700 0.024 0.000 2.353 99 N HA -0.104 4.635 4.740 -0.001 0.000 0.248 99 N C 0.130 175.660 175.510 0.033 0.000 1.240 99 N CA 0.905 53.976 53.050 0.036 0.000 0.862 99 N CB 0.028 38.549 38.487 0.055 0.000 1.086 99 N HN 0.270 nan 8.380 nan 0.000 0.453 100 D N -1.074 119.343 120.400 0.028 0.000 2.713 100 D HA -0.213 4.426 4.640 -0.001 0.000 0.231 100 D C -0.484 175.832 176.300 0.025 0.000 1.173 100 D CA 0.672 54.686 54.000 0.024 0.000 0.628 100 D CB -1.037 39.777 40.800 0.023 0.000 1.033 100 D HN 0.538 nan 8.370 nan 0.000 0.419 101 A N 0.529 123.365 122.820 0.026 0.000 2.269 101 A HA 0.258 4.578 4.320 -0.001 0.000 0.302 101 A C 1.156 178.756 177.584 0.027 0.000 1.266 101 A CA -0.530 51.525 52.037 0.029 0.000 0.894 101 A CB 0.756 19.774 19.000 0.031 0.000 1.147 101 A HN -0.094 nan 8.150 nan 0.000 0.537 102 D N 0.660 121.076 120.400 0.026 0.000 2.219 102 D HA -0.058 4.581 4.640 -0.001 0.000 0.205 102 D C 0.791 177.107 176.300 0.026 0.000 0.970 102 D CA 1.460 55.474 54.000 0.023 0.000 0.851 102 D CB 0.388 41.200 40.800 0.021 0.000 0.943 102 D HN 0.763 nan 8.370 nan 0.000 0.488 103 Q N -0.512 119.308 119.800 0.033 0.000 2.553 103 Q HA 0.580 4.919 4.340 -0.001 0.000 0.293 103 Q C -1.720 174.310 176.000 0.050 0.000 1.038 103 Q CA -0.664 55.162 55.803 0.039 0.000 0.777 103 Q CB 2.199 30.961 28.738 0.039 0.000 1.487 103 Q HN -0.087 nan 8.270 nan 0.000 0.426 104 I N 2.734 123.338 120.570 0.056 0.000 2.548 104 I HA 0.362 4.532 4.170 -0.001 0.000 0.287 104 I C -1.073 175.096 176.117 0.086 0.000 1.103 104 I CA -0.756 60.583 61.300 0.065 0.000 1.049 104 I CB 1.774 39.796 38.000 0.037 0.000 1.232 104 I HN 0.493 nan 8.210 nan 0.000 0.429 105 I N 6.553 127.204 120.570 0.135 0.000 2.441 105 I HA 0.510 4.679 4.170 -0.001 0.000 0.295 105 I C -0.112 176.079 176.117 0.124 0.000 0.994 105 I CA -0.924 60.480 61.300 0.174 0.000 1.144 105 I CB 2.065 40.222 38.000 0.262 0.000 1.314 105 I HN 0.132 nan 8.210 nan 0.000 0.445 106 V N 4.615 124.599 119.914 0.116 0.000 2.555 106 V HA 0.826 4.946 4.120 -0.001 0.000 0.302 106 V C -0.052 176.118 176.094 0.125 0.000 1.038 106 V CA -0.562 61.758 62.300 0.033 0.000 0.887 106 V CB 1.907 33.737 31.823 0.011 0.000 0.991 106 V HN 0.910 nan 8.190 nan 0.000 0.434 107 A N 5.641 128.485 122.820 0.040 0.000 2.393 107 A HA 0.868 5.187 4.320 -0.001 0.000 0.306 107 A C -1.032 176.594 177.584 0.070 0.000 1.050 107 A CA -0.563 51.548 52.037 0.124 0.000 0.724 107 A CB 1.161 20.265 19.000 0.174 0.000 1.248 107 A HN 0.736 nan 8.150 nan 0.000 0.424 108 L N 1.506 122.798 121.223 0.116 0.000 2.387 108 L HA 0.325 4.665 4.340 -0.001 0.000 0.266 108 L C 1.013 177.917 176.870 0.057 0.000 1.059 108 L CA -0.948 53.932 54.840 0.066 0.000 0.801 108 L CB 0.926 43.036 42.059 0.085 0.000 1.223 108 L HN 0.757 nan 8.230 nan 0.000 0.456 109 Q N 1.031 120.850 119.800 0.032 0.000 2.364 109 Q HA -0.140 4.199 4.340 -0.001 0.000 0.207 109 Q C 1.061 177.083 176.000 0.037 0.000 0.970 109 Q CA 1.055 56.876 55.803 0.030 0.000 0.888 109 Q CB -0.253 28.495 28.738 0.016 0.000 0.951 109 Q HN 0.755 nan 8.270 nan 0.000 0.469 110 D N -1.609 118.818 120.400 0.045 0.000 2.349 110 D HA 0.080 4.719 4.640 -0.001 0.000 0.224 110 D C 1.224 177.555 176.300 0.052 0.000 1.029 110 D CA 0.895 54.922 54.000 0.045 0.000 0.879 110 D CB 0.117 40.947 40.800 0.049 0.000 0.906 110 D HN 0.212 nan 8.370 nan 0.000 0.528 111 G N -0.005 108.833 108.800 0.064 0.000 2.284 111 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.216 111 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.216 111 G C 0.346 175.289 174.900 0.071 0.000 1.009 111 G CA -0.244 44.891 45.100 0.060 0.000 0.625 111 G HN 0.394 nan 8.290 nan 0.000 0.501 112 R N 0.479 121.045 120.500 0.110 0.000 2.585 112 R HA 0.410 4.749 4.340 -0.001 0.000 0.275 112 R C -0.134 176.275 176.300 0.181 0.000 1.018 112 R CA 0.393 56.566 56.100 0.122 0.000 1.072 112 R CB 0.989 31.486 30.300 0.329 0.000 0.953 112 R HN 0.156 nan 8.270 nan 0.000 0.419 113 V N 4.632 124.503 119.914 -0.071 0.000 2.628 113 V HA 0.555 4.674 4.120 -0.001 0.000 0.306 113 V C -0.636 175.341 176.094 -0.194 0.000 1.045 113 V CA -0.601 61.727 62.300 0.046 0.000 0.905 113 V CB 1.453 33.287 31.823 0.018 0.000 0.997 113 V HN 0.498 nan 8.190 nan 0.000 0.436 114 F N 0.821 120.783 119.950 0.020 0.000 2.629 114 F HA 0.546 5.073 4.527 -0.001 0.000 0.316 114 F C -0.014 175.795 175.800 0.014 0.000 1.081 114 F CA -1.046 56.959 58.000 0.008 0.000 0.954 114 F CB 1.787 40.780 39.000 -0.011 0.000 1.337 114 F HN 0.469 nan 8.300 nan 0.000 0.474 115 E N 1.136 121.455 120.200 0.198 0.000 2.197 115 E HA 0.715 5.064 4.350 -0.001 0.000 0.281 115 E C -1.234 175.431 176.600 0.108 0.000 0.995 115 E CA -0.608 55.862 56.400 0.117 0.000 0.808 115 E CB 1.310 31.051 29.700 0.070 0.000 1.093 115 E HN 0.742 nan 8.360 nan 0.000 0.394 116 A N 4.913 127.776 122.820 0.072 0.000 2.325 116 A HA 0.448 4.767 4.320 -0.001 0.000 0.333 116 A C -1.061 176.536 177.584 0.022 0.000 1.155 116 A CA -0.831 51.227 52.037 0.034 0.000 0.814 116 A CB 1.066 20.074 19.000 0.013 0.000 1.206 116 A HN 0.658 nan 8.150 nan 0.000 0.482 117 L N 3.435 124.661 121.223 0.005 0.000 2.272 117 L HA 0.462 4.801 4.340 -0.001 0.000 0.289 117 L C -0.880 175.997 176.870 0.013 0.000 1.032 117 L CA -0.492 54.353 54.840 0.008 0.000 0.810 117 L CB 0.902 42.961 42.059 -0.001 0.000 1.205 117 L HN 0.823 nan 8.230 nan 0.000 0.422 118 L N 6.624 127.858 121.223 0.019 0.000 2.385 118 L HA 0.108 4.448 4.340 -0.001 0.000 0.281 118 L C 1.011 177.901 176.870 0.033 0.000 1.106 118 L CA -0.243 54.611 54.840 0.023 0.000 0.856 118 L CB 1.295 43.366 42.059 0.019 0.000 1.186 118 L HN 0.718 nan 8.230 nan 0.000 0.453 119 V N 2.886 122.830 119.914 0.049 0.000 3.647 119 V HA 0.594 4.714 4.120 -0.001 0.000 0.279 119 V C 0.548 176.670 176.094 0.046 0.000 1.314 119 V CA 0.701 63.039 62.300 0.064 0.000 1.125 119 V CB -0.673 31.225 31.823 0.125 0.000 0.907 119 V HN 0.944 nan 8.190 nan 0.000 0.434 120 G N -0.159 108.660 108.800 0.033 0.000 2.321 120 G HA2 0.446 4.406 3.960 -0.001 0.000 0.339 120 G HA3 0.446 4.406 3.960 -0.001 0.000 0.339 120 G C -0.738 174.172 174.900 0.015 0.000 1.518 120 G CA -0.055 45.058 45.100 0.022 0.000 0.994 120 G HN 1.497 nan 8.290 nan 0.000 0.668 121 S N -0.729 114.979 115.700 0.014 0.000 2.671 121 S HA 0.866 5.335 4.470 -0.001 0.000 0.277 121 S C -1.722 172.888 174.600 0.015 0.000 1.165 121 S CA -0.237 57.971 58.200 0.013 0.000 0.822 121 S CB 2.758 65.969 63.200 0.017 0.000 1.150 121 S HN 1.497 nan 8.310 nan 0.000 0.479 122 D N -0.884 119.528 120.400 0.020 0.000 2.966 122 D HA 0.553 5.192 4.640 -0.001 0.000 0.222 122 D C 0.385 176.710 176.300 0.042 0.000 1.292 122 D CA -0.434 53.580 54.000 0.024 0.000 0.907 122 D CB 2.049 42.856 40.800 0.011 0.000 1.621 122 D HN 0.296 nan 8.370 nan 0.000 0.557 123 S N 2.243 117.974 115.700 0.051 0.000 2.357 123 S HA -0.044 4.426 4.470 -0.001 0.000 0.221 123 S C 1.792 176.442 174.600 0.082 0.000 1.031 123 S CA 0.553 58.795 58.200 0.070 0.000 0.982 123 S CB -0.230 63.010 63.200 0.066 0.000 0.853 123 S HN 0.628 nan 8.310 nan 0.000 0.458 124 L N 1.924 123.188 121.223 0.067 0.000 2.651 124 L HA -0.045 4.294 4.340 -0.001 0.000 0.236 124 L C 1.803 178.741 176.870 0.113 0.000 1.173 124 L CA 1.240 56.123 54.840 0.072 0.000 0.843 124 L CB -1.108 40.962 42.059 0.018 0.000 0.964 124 L HN 0.532 nan 8.230 nan 0.000 0.454 125 T N -7.501 107.118 114.554 0.109 0.000 3.191 125 T HA 0.051 4.400 4.350 -0.001 0.000 0.285 125 T C 0.606 175.336 174.700 0.051 0.000 0.887 125 T CA 0.234 62.403 62.100 0.116 0.000 0.881 125 T CB 0.135 69.042 68.868 0.066 0.000 1.217 125 T HN 0.104 nan 8.240 nan 0.000 0.591 126 D N 0.471 120.916 120.400 0.075 0.000 2.911 126 D HA -0.131 4.508 4.640 -0.001 0.000 0.227 126 D C -0.561 175.756 176.300 0.028 0.000 1.164 126 D CA 0.586 54.641 54.000 0.091 0.000 0.782 126 D CB -1.680 39.208 40.800 0.146 0.000 1.094 126 D HN 0.664 nan 8.370 nan 0.000 0.425 127 L N -0.181 121.046 121.223 0.005 0.000 2.309 127 L HA 0.766 5.105 4.340 -0.001 0.000 0.282 127 L C 0.485 177.347 176.870 -0.014 0.000 1.036 127 L CA -0.365 54.462 54.840 -0.020 0.000 0.806 127 L CB 1.611 43.656 42.059 -0.024 0.000 1.220 127 L HN 0.164 nan 8.230 nan 0.000 0.429 128 A N 3.383 126.187 122.820 -0.026 0.000 2.435 128 A HA 0.812 5.131 4.320 -0.001 0.000 0.304 128 A C -1.219 176.359 177.584 -0.010 0.000 1.064 128 A CA -0.487 51.540 52.037 -0.016 0.000 0.727 128 A CB 2.034 21.018 19.000 -0.026 0.000 1.284 128 A HN 0.358 nan 8.150 nan 0.000 0.415 129 V N 3.058 122.977 119.914 0.010 0.000 2.409 129 V HA 0.449 4.569 4.120 -0.001 0.000 0.291 129 V C -0.120 176.006 176.094 0.054 0.000 1.020 129 V CA -0.268 62.054 62.300 0.037 0.000 0.848 129 V CB 1.022 32.877 31.823 0.053 0.000 0.990 129 V HN 0.791 nan 8.190 nan 0.000 0.430 130 L N 3.385 124.634 121.223 0.044 0.000 2.347 130 L HA 0.774 5.114 4.340 -0.001 0.000 0.268 130 L C -0.357 176.524 176.870 0.019 0.000 1.019 130 L CA -1.094 53.759 54.840 0.022 0.000 0.806 130 L CB 1.726 43.776 42.059 -0.014 0.000 1.339 130 L HN 0.571 nan 8.230 nan 0.000 0.463 131 K N 1.514 121.885 120.400 -0.049 0.000 2.619 131 K HA 0.467 4.786 4.320 -0.001 0.000 0.251 131 K C -1.293 175.218 176.600 -0.148 0.000 0.987 131 K CA -0.351 55.835 56.287 -0.168 0.000 0.844 131 K CB 1.262 33.621 32.500 -0.235 0.000 1.237 131 K HN 0.557 nan 8.250 nan 0.000 0.447 132 I N 0.139 120.593 120.570 -0.194 0.000 2.577 132 I HA 0.469 4.638 4.170 -0.001 0.000 0.305 132 I C -0.330 175.690 176.117 -0.162 0.000 0.986 132 I CA -0.747 60.459 61.300 -0.156 0.000 1.189 132 I CB 1.785 39.578 38.000 -0.346 0.000 1.355 132 I HN 0.551 nan 8.210 nan 0.000 0.476 133 N N 4.334 123.020 118.700 -0.023 0.000 2.801 133 N HA 0.429 5.168 4.740 -0.001 0.000 0.235 133 N C -1.000 174.560 175.510 0.083 0.000 1.069 133 N CA -0.264 52.780 53.050 -0.009 0.000 0.946 133 N CB 1.134 39.634 38.487 0.022 0.000 1.212 133 N HN 0.869 nan 8.380 nan 0.000 0.509 134 A N 2.282 125.089 122.820 -0.022 0.000 2.274 134 A HA 0.395 4.714 4.320 -0.001 0.000 0.309 134 A C 0.394 178.018 177.584 0.067 0.000 1.226 134 A CA -0.542 51.538 52.037 0.073 0.000 0.853 134 A CB 0.720 19.613 19.000 -0.178 0.000 1.146 134 A HN 0.538 nan 8.150 nan 0.000 0.518 135 T N -0.020 114.610 114.554 0.127 0.000 2.895 135 T HA 0.604 4.953 4.350 -0.001 0.000 0.283 135 T C 0.943 175.691 174.700 0.079 0.000 1.014 135 T CA 0.561 62.704 62.100 0.072 0.000 1.037 135 T CB 1.304 70.208 68.868 0.059 0.000 1.006 135 T HN 2.365 nan 8.240 nan 0.000 0.468 136 G N 1.083 109.912 108.800 0.047 0.000 2.213 136 G HA2 0.326 4.286 3.960 -0.001 0.000 0.236 136 G HA3 0.326 4.286 3.960 -0.001 0.000 0.236 136 G C 0.916 175.837 174.900 0.035 0.000 0.991 136 G CA 0.244 45.370 45.100 0.044 0.000 0.629 136 G HN 2.583 nan 8.290 nan 0.000 0.517 137 G N -1.109 107.706 108.800 0.026 0.000 2.784 137 G HA2 0.320 4.280 3.960 -0.001 0.000 0.686 137 G HA3 0.320 4.280 3.960 -0.001 0.000 0.686 137 G C -0.754 174.144 174.900 -0.004 0.000 1.156 137 G CA -0.207 44.898 45.100 0.007 0.000 0.757 137 G HN 1.190 nan 8.290 nan 0.000 0.642 138 L N 3.084 124.288 121.223 -0.031 0.000 2.370 138 L HA 0.666 5.005 4.340 -0.001 0.000 0.266 138 L C -1.779 175.064 176.870 -0.044 0.000 1.002 138 L CA -2.118 52.686 54.840 -0.060 0.000 0.818 138 L CB 2.857 44.846 42.059 -0.116 0.000 1.325 138 L HN 0.533 nan 8.230 nan 0.000 0.418 139 P HA 0.221 nan 4.420 nan 0.000 0.278 139 P C -1.086 176.190 177.300 -0.040 0.000 1.238 139 P CA -0.221 62.860 63.100 -0.033 0.000 0.794 139 P CB 1.296 32.980 31.700 -0.027 0.000 0.955 140 T N -0.209 114.326 114.554 -0.032 0.000 2.886 140 T HA 0.383 4.732 4.350 -0.001 0.000 0.292 140 T C 0.027 174.708 174.700 -0.033 0.000 1.012 140 T CA -0.936 61.145 62.100 -0.031 0.000 0.982 140 T CB 0.974 69.829 68.868 -0.022 0.000 1.018 140 T HN 0.185 nan 8.240 nan 0.000 0.451 141 I N 3.960 124.508 120.570 -0.036 0.000 2.668 141 I HA 0.257 4.426 4.170 -0.001 0.000 0.285 141 I C -2.220 173.865 176.117 -0.053 0.000 1.168 141 I CA -1.821 59.452 61.300 -0.045 0.000 1.424 141 I CB 0.123 38.095 38.000 -0.046 0.000 1.377 141 I HN 0.503 nan 8.210 nan 0.000 0.560 142 P HA 0.215 nan 4.420 nan 0.000 0.265 142 P C -0.927 176.303 177.300 -0.116 0.000 1.193 142 P CA 0.393 63.447 63.100 -0.076 0.000 0.765 142 P CB 0.302 31.957 31.700 -0.076 0.000 0.823 143 I N 2.807 123.310 120.570 -0.111 0.000 2.569 143 I HA 0.320 4.489 4.170 -0.001 0.000 0.290 143 I C -0.131 175.903 176.117 -0.137 0.000 1.088 143 I CA -0.612 60.592 61.300 -0.161 0.000 1.047 143 I CB 2.373 40.331 38.000 -0.071 0.000 1.237 143 I HN 0.224 nan 8.210 nan 0.000 0.421 144 N N 4.667 123.237 118.700 -0.217 0.000 2.790 144 N HA 0.344 5.084 4.740 -0.001 0.000 0.256 144 N C 0.443 175.940 175.510 -0.022 0.000 1.409 144 N CA -0.321 52.664 53.050 -0.108 0.000 0.799 144 N CB 1.499 39.915 38.487 -0.120 0.000 1.170 144 N HN 0.729 nan 8.380 nan 0.000 0.507 145 A N 2.293 125.180 122.820 0.112 0.000 2.139 145 A HA -0.140 4.179 4.320 -0.001 0.000 0.221 145 A C 1.994 179.690 177.584 0.186 0.000 1.159 145 A CA 1.038 53.239 52.037 0.272 0.000 0.662 145 A CB -0.155 18.952 19.000 0.178 0.000 0.796 145 A HN 0.553 nan 8.150 nan 0.000 0.463 146 R N -0.741 119.818 120.500 0.098 0.000 2.200 146 R HA 0.023 4.363 4.340 -0.001 0.000 0.208 146 R C 1.003 177.344 176.300 0.068 0.000 1.033 146 R CA 0.318 56.458 56.100 0.067 0.000 1.000 146 R CB -0.318 30.003 30.300 0.035 0.000 0.906 146 R HN 0.534 nan 8.270 nan 0.000 0.462 147 R N 1.453 121.995 120.500 0.069 0.000 2.401 147 R HA 0.087 4.427 4.340 -0.001 0.000 0.299 147 R C -0.686 175.656 176.300 0.070 0.000 1.064 147 R CA 0.049 56.168 56.100 0.032 0.000 1.000 147 R CB 0.899 31.172 30.300 -0.045 0.000 0.973 147 R HN -0.148 nan 8.270 nan 0.000 0.438 148 V N 7.649 127.536 119.914 -0.045 0.000 2.347 148 V HA 0.467 4.587 4.120 -0.001 0.000 0.280 148 V C -2.335 173.506 176.094 -0.422 0.000 1.021 148 V CA -2.680 59.543 62.300 -0.128 0.000 0.847 148 V CB 1.453 33.223 31.823 -0.089 0.000 0.990 148 V HN 0.818 nan 8.190 nan 0.000 0.444 149 P HA 0.269 nan 4.420 nan 0.000 0.268 149 P C -1.121 176.025 177.300 -0.258 0.000 1.204 149 P CA 0.366 63.357 63.100 -0.181 0.000 0.768 149 P CB 0.176 31.887 31.700 0.019 0.000 0.842 150 H N 2.107 121.201 119.070 0.039 0.000 2.637 150 H HA 0.303 4.859 4.556 -0.001 0.000 0.363 150 H C 0.305 175.644 175.328 0.019 0.000 1.131 150 H CA -0.826 55.239 56.048 0.027 0.000 1.183 150 H CB 1.108 30.883 29.762 0.022 0.000 1.637 150 H HN 0.258 nan 8.280 nan 0.000 0.531 151 I N 1.930 122.594 120.570 0.156 0.000 2.742 151 I HA -0.031 4.139 4.170 -0.001 0.000 0.287 151 I C 1.475 177.631 176.117 0.066 0.000 1.186 151 I CA 1.409 62.757 61.300 0.080 0.000 1.417 151 I CB -0.161 37.872 38.000 0.055 0.000 1.377 151 I HN 1.062 nan 8.210 nan 0.000 0.556 152 G N 5.321 114.147 108.800 0.042 0.000 2.218 152 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.216 152 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.216 152 G C 0.068 174.985 174.900 0.029 0.000 0.994 152 G CA -0.502 44.616 45.100 0.029 0.000 0.637 152 G HN 0.532 nan 8.290 nan 0.000 0.505 153 D N 1.261 121.687 120.400 0.043 0.000 2.458 153 D HA 0.371 5.011 4.640 -0.001 0.000 0.243 153 D C 1.049 177.336 176.300 -0.022 0.000 1.146 153 D CA 0.059 54.075 54.000 0.027 0.000 0.877 153 D CB 1.624 42.442 40.800 0.029 0.000 1.176 153 D HN 0.179 nan 8.370 nan 0.000 0.461 154 V N 2.863 122.753 119.914 -0.042 0.000 2.673 154 V HA 0.133 4.252 4.120 -0.001 0.000 0.303 154 V C 0.563 176.557 176.094 -0.166 0.000 1.046 154 V CA 0.243 62.465 62.300 -0.131 0.000 1.126 154 V CB 1.395 33.109 31.823 -0.182 0.000 0.934 154 V HN 0.305 nan 8.190 nan 0.000 0.487 155 V N 6.499 126.291 119.914 -0.203 0.000 3.012 155 V HA 0.570 4.690 4.120 -0.001 0.000 0.307 155 V C -1.015 174.964 176.094 -0.192 0.000 1.166 155 V CA -0.576 61.623 62.300 -0.168 0.000 0.974 155 V CB 2.294 34.057 31.823 -0.101 0.000 1.040 155 V HN 0.709 nan 8.190 nan 0.000 0.428 156 L N 4.923 126.049 121.223 -0.161 0.000 2.334 156 L HA 0.904 5.243 4.340 -0.001 0.000 0.273 156 L C 0.089 176.909 176.870 -0.084 0.000 1.013 156 L CA -0.769 53.993 54.840 -0.130 0.000 0.816 156 L CB 1.931 43.923 42.059 -0.111 0.000 1.278 156 L HN 0.751 nan 8.230 nan 0.000 0.431 157 A N 3.984 126.763 122.820 -0.067 0.000 2.258 157 A HA 0.750 5.070 4.320 -0.001 0.000 0.316 157 A C -0.549 177.013 177.584 -0.037 0.000 1.279 157 A CA -0.385 51.622 52.037 -0.050 0.000 0.876 157 A CB 0.237 19.209 19.000 -0.046 0.000 1.170 157 A HN 0.642 nan 8.150 nan 0.000 0.520 158 I N 2.672 123.221 120.570 -0.036 0.000 2.339 158 I HA 0.680 4.849 4.170 -0.001 0.000 0.290 158 I C 0.719 176.819 176.117 -0.029 0.000 0.994 158 I CA -0.098 61.185 61.300 -0.028 0.000 1.191 158 I CB 1.872 39.854 38.000 -0.030 0.000 1.343 158 I HN 0.772 nan 8.210 nan 0.000 0.458 159 G N 4.164 112.952 108.800 -0.020 0.000 2.495 159 G HA2 0.205 4.164 3.960 -0.001 0.000 0.294 159 G HA3 0.205 4.164 3.960 -0.001 0.000 0.294 159 G C -1.779 173.117 174.900 -0.008 0.000 1.397 159 G CA -0.723 44.362 45.100 -0.025 0.000 0.790 159 G HN 0.613 nan 8.290 nan 0.000 0.486 160 N N 1.334 120.027 118.700 -0.012 0.000 2.904 160 N HA 0.387 5.126 4.740 -0.001 0.000 0.257 160 N C -2.640 172.896 175.510 0.043 0.000 1.363 160 N CA -1.503 51.557 53.050 0.018 0.000 0.856 160 N CB 1.861 40.349 38.487 0.003 0.000 1.166 160 N HN 0.267 nan 8.380 nan 0.000 0.499 161 P HA 0.055 nan 4.420 nan 0.000 0.278 161 P C -0.515 176.988 177.300 0.337 0.000 1.238 161 P CA 0.361 63.579 63.100 0.196 0.000 0.794 161 P CB 0.631 32.492 31.700 0.267 0.000 0.955 162 Y N -0.024 120.332 120.300 0.094 0.000 4.396 162 Y HA -0.301 4.248 4.550 -0.001 0.000 0.216 162 Y C 1.129 177.084 175.900 0.091 0.000 1.080 162 Y CA 1.443 59.610 58.100 0.112 0.000 1.811 162 Y CB -3.062 35.451 38.460 0.088 0.000 1.591 162 Y HN 0.629 nan 8.280 nan 0.000 0.626 163 N N -0.293 118.515 118.700 0.179 0.000 2.705 163 N HA -0.245 4.494 4.740 -0.001 0.000 0.255 163 N C 0.248 175.842 175.510 0.139 0.000 1.008 163 N CA 0.490 53.630 53.050 0.150 0.000 0.742 163 N CB -0.868 37.709 38.487 0.149 0.000 0.906 163 N HN 0.585 nan 8.380 nan 0.000 0.541 164 L N 0.190 121.493 121.223 0.133 0.000 2.628 164 L HA 0.315 4.654 4.340 -0.001 0.000 0.229 164 L C 1.257 178.173 176.870 0.076 0.000 1.137 164 L CA 0.506 55.406 54.840 0.099 0.000 0.909 164 L CB 0.103 42.215 42.059 0.088 0.000 1.137 164 L HN 0.508 nan 8.230 nan 0.000 0.470 165 G N 0.457 109.305 108.800 0.080 0.000 2.662 165 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.686 165 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.686 165 G C -0.531 174.397 174.900 0.047 0.000 1.271 165 G CA -0.771 44.367 45.100 0.063 0.000 0.816 165 G HN 0.163 nan 8.290 nan 0.000 0.608 166 Q N -0.053 119.767 119.800 0.033 0.000 2.283 166 Q HA 0.412 4.751 4.340 -0.001 0.000 0.301 166 Q C 0.828 176.840 176.000 0.021 0.000 1.063 166 Q CA 1.179 56.994 55.803 0.019 0.000 0.952 166 Q CB 0.164 28.909 28.738 0.011 0.000 1.166 166 Q HN 1.281 nan 8.270 nan 0.000 0.381 167 T N 2.045 116.609 114.554 0.017 0.000 2.900 167 T HA 0.663 5.012 4.350 -0.001 0.000 0.295 167 T C -0.533 174.171 174.700 0.007 0.000 1.044 167 T CA -0.996 61.113 62.100 0.016 0.000 0.995 167 T CB 1.046 69.927 68.868 0.021 0.000 1.072 167 T HN 0.396 nan 8.240 nan 0.000 0.473 168 I N 2.962 123.535 120.570 0.006 0.000 2.562 168 I HA 0.669 4.838 4.170 -0.001 0.000 0.301 168 I C 0.466 176.581 176.117 -0.004 0.000 1.003 168 I CA -0.555 60.744 61.300 -0.001 0.000 1.127 168 I CB 1.564 39.568 38.000 0.008 0.000 1.304 168 I HN 1.103 nan 8.210 nan 0.000 0.446 169 T N 2.264 116.806 114.554 -0.019 0.000 2.933 169 T HA 0.695 5.044 4.350 -0.001 0.000 0.305 169 T C -0.817 173.849 174.700 -0.055 0.000 1.092 169 T CA -0.899 61.186 62.100 -0.026 0.000 1.008 169 T CB 2.232 71.085 68.868 -0.024 0.000 1.102 169 T HN 0.606 nan 8.240 nan 0.000 0.469 170 Q N 1.350 121.111 119.800 -0.065 0.000 2.348 170 Q HA 0.895 5.235 4.340 -0.001 0.000 0.271 170 Q C -0.055 175.882 176.000 -0.106 0.000 1.067 170 Q CA -0.753 54.972 55.803 -0.129 0.000 0.839 170 Q CB 1.983 30.604 28.738 -0.195 0.000 1.354 170 Q HN 1.128 nan 8.270 nan 0.000 0.447 171 G N 0.915 109.636 108.800 -0.131 0.000 2.677 171 G HA2 0.615 4.574 3.960 -0.001 0.000 0.283 171 G HA3 0.615 4.574 3.960 -0.001 0.000 0.283 171 G C -1.277 173.559 174.900 -0.106 0.000 1.221 171 G CA -0.482 44.560 45.100 -0.096 0.000 0.851 171 G HN 1.050 nan 8.290 nan 0.000 0.504 172 I N -2.373 118.152 120.570 -0.076 0.000 3.264 172 I HA 0.701 4.870 4.170 -0.001 0.000 0.315 172 I C -0.932 175.156 176.117 -0.048 0.000 1.154 172 I CA -1.523 59.741 61.300 -0.060 0.000 0.962 172 I CB 2.280 40.259 38.000 -0.036 0.000 1.265 172 I HN 0.367 nan 8.210 nan 0.000 0.463 173 I N 1.929 122.483 120.570 -0.026 0.000 2.325 173 I HA 0.209 4.379 4.170 -0.001 0.000 0.291 173 I C 0.571 176.684 176.117 -0.006 0.000 1.019 173 I CA 0.023 61.316 61.300 -0.012 0.000 1.302 173 I CB 1.639 39.647 38.000 0.014 0.000 1.401 173 I HN 0.658 nan 8.210 nan 0.000 0.485 174 S N 4.688 120.377 115.700 -0.019 0.000 2.517 174 S HA 0.431 4.900 4.470 -0.001 0.000 0.214 174 S C 0.392 174.998 174.600 0.010 0.000 0.991 174 S CA -0.161 58.031 58.200 -0.014 0.000 0.906 174 S CB 0.441 63.616 63.200 -0.042 0.000 0.789 174 S HN 0.787 nan 8.310 nan 0.000 0.513 175 A N 0.707 123.543 122.820 0.027 0.000 2.583 175 A HA 0.540 4.859 4.320 -0.001 0.000 0.298 175 A C 0.615 178.241 177.584 0.071 0.000 1.055 175 A CA -0.266 51.803 52.037 0.054 0.000 0.714 175 A CB 0.193 19.236 19.000 0.071 0.000 1.277 175 A HN 0.106 nan 8.150 nan 0.000 0.406 176 T N -0.561 114.037 114.554 0.074 0.000 2.953 176 T HA 0.516 4.865 4.350 -0.001 0.000 0.247 176 T C 1.433 176.187 174.700 0.090 0.000 1.029 176 T CA 1.214 63.360 62.100 0.077 0.000 1.144 176 T CB -0.579 68.328 68.868 0.066 0.000 0.870 176 T HN 2.778 nan 8.240 nan 0.000 0.446 177 G N 1.747 110.595 108.800 0.079 0.000 2.795 177 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.664 177 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.664 177 G C -0.868 174.057 174.900 0.042 0.000 1.381 177 G CA -0.843 44.301 45.100 0.074 0.000 0.853 177 G HN 0.710 nan 8.290 nan 0.000 0.545 178 R N -0.585 119.928 120.500 0.022 0.000 2.500 178 R HA 0.588 4.928 4.340 -0.001 0.000 0.277 178 R C 1.437 177.734 176.300 -0.005 0.000 1.026 178 R CA -0.199 55.900 56.100 -0.002 0.000 1.058 178 R CB 1.024 31.312 30.300 -0.020 0.000 1.078 178 R HN 0.810 nan 8.270 nan 0.000 0.509 179 I N -1.815 118.732 120.570 -0.038 0.000 3.891 179 I HA 0.325 4.495 4.170 -0.001 0.000 0.331 179 I C 0.538 176.620 176.117 -0.059 0.000 1.406 179 I CA -0.467 60.792 61.300 -0.069 0.000 1.139 179 I CB 0.368 38.289 38.000 -0.132 0.000 1.056 179 I HN 0.493 nan 8.210 nan 0.000 0.399 180 G N 1.020 109.796 108.800 -0.040 0.000 2.634 180 G HA2 0.257 4.216 3.960 -0.001 0.000 0.255 180 G HA3 0.257 4.216 3.960 -0.001 0.000 0.255 180 G C 0.130 175.005 174.900 -0.042 0.000 1.205 180 G CA -0.505 44.570 45.100 -0.042 0.000 0.884 180 G HN 0.321 nan 8.290 nan 0.000 0.549 181 L N 0.014 121.207 121.223 -0.051 0.000 2.567 181 L HA 0.231 4.571 4.340 -0.001 0.000 0.225 181 L C 1.079 177.896 176.870 -0.088 0.000 1.119 181 L CA -0.013 54.790 54.840 -0.061 0.000 0.871 181 L CB -0.574 41.447 42.059 -0.064 0.000 1.036 181 L HN 0.626 nan 8.230 nan 0.000 0.459 182 N N 1.564 120.215 118.700 -0.081 0.000 2.444 182 N HA 0.182 4.921 4.740 -0.001 0.000 0.271 182 N C -2.344 173.112 175.510 -0.089 0.000 1.069 182 N CA -1.469 51.520 53.050 -0.103 0.000 0.965 182 N CB 0.891 39.343 38.487 -0.058 0.000 1.092 182 N HN 0.045 nan 8.380 nan 0.000 0.476 183 P HA 0.067 nan 4.420 nan 0.000 0.271 183 P C -0.012 177.251 177.300 -0.062 0.000 1.220 183 P CA -0.093 62.964 63.100 -0.072 0.000 0.768 183 P CB 1.518 33.187 31.700 -0.051 0.000 0.848 184 T N 0.387 114.869 114.554 -0.119 0.000 3.125 184 T HA 0.505 4.854 4.350 -0.001 0.000 0.252 184 T C 0.801 175.399 174.700 -0.170 0.000 0.981 184 T CA 0.611 62.637 62.100 -0.124 0.000 1.069 184 T CB 0.041 68.826 68.868 -0.138 0.000 1.091 184 T HN 0.616 nan 8.240 nan 0.000 0.460 185 G N 0.355 108.971 108.800 -0.306 0.000 2.360 185 G HA2 0.436 4.395 3.960 -0.001 0.000 0.276 185 G HA3 0.436 4.395 3.960 -0.001 0.000 0.276 185 G C -0.407 174.080 174.900 -0.689 0.000 1.256 185 G CA 0.003 44.897 45.100 -0.342 0.000 0.890 185 G HN 0.444 nan 8.290 nan 0.000 0.486 186 R N -0.187 119.975 120.500 -0.563 0.000 2.702 186 R HA 0.514 4.854 4.340 -0.001 0.000 0.314 186 R C 1.362 177.226 176.300 -0.726 0.000 1.152 186 R CA 1.214 56.884 56.100 -0.717 0.000 1.097 186 R CB -0.809 29.235 30.300 -0.427 0.000 1.343 186 R HN 0.823 nan 8.270 nan 0.000 0.575 187 Q N -2.014 117.461 119.800 -0.542 0.000 2.288 187 Q HA 0.180 4.519 4.340 -0.001 0.000 0.256 187 Q C 0.078 175.987 176.000 -0.151 0.000 0.835 187 Q CA -0.337 55.327 55.803 -0.232 0.000 0.958 187 Q CB 0.384 29.037 28.738 -0.142 0.000 1.125 187 Q HN 0.300 nan 8.270 nan 0.000 0.513 188 N N 0.394 118.902 118.700 -0.320 0.000 2.378 188 N HA 0.219 4.959 4.740 -0.001 0.000 0.243 188 N C -1.058 174.414 175.510 -0.064 0.000 1.137 188 N CA 0.120 53.067 53.050 -0.172 0.000 0.862 188 N CB 0.271 38.650 38.487 -0.180 0.000 1.116 188 N HN 0.059 nan 8.380 nan 0.000 0.499 189 F N 0.171 120.148 119.950 0.044 0.000 2.511 189 F HA 0.468 4.995 4.527 -0.001 0.000 0.340 189 F C 0.573 176.453 175.800 0.133 0.000 1.094 189 F CA -1.109 56.941 58.000 0.083 0.000 1.119 189 F CB -0.177 38.894 39.000 0.118 0.000 1.775 189 F HN -0.195 nan 8.300 nan 0.000 0.536 190 L N 0.442 121.895 121.223 0.383 0.000 2.325 190 L HA 0.443 4.782 4.340 -0.001 0.000 0.278 190 L C -0.750 176.245 176.870 0.208 0.000 1.023 190 L CA -0.204 54.765 54.840 0.215 0.000 0.811 190 L CB 1.463 43.596 42.059 0.123 0.000 1.249 190 L HN 0.502 nan 8.230 nan 0.000 0.431 191 Q N 2.366 122.217 119.800 0.084 0.000 2.331 191 Q HA 0.517 4.856 4.340 -0.001 0.000 0.267 191 Q C -1.393 174.524 176.000 -0.138 0.000 1.006 191 Q CA -0.439 55.292 55.803 -0.121 0.000 0.818 191 Q CB 1.847 30.529 28.738 -0.093 0.000 1.276 191 Q HN 0.696 nan 8.270 nan 0.000 0.450 192 T N 1.110 115.537 114.554 -0.212 0.000 2.912 192 T HA 0.192 4.542 4.350 -0.001 0.000 0.299 192 T C -0.247 174.360 174.700 -0.155 0.000 1.052 192 T CA -0.638 61.377 62.100 -0.143 0.000 0.996 192 T CB 1.003 69.809 68.868 -0.103 0.000 1.070 192 T HN 0.740 nan 8.240 nan 0.000 0.465 193 D N 2.354 122.689 120.400 -0.109 0.000 2.328 193 D HA 0.236 4.875 4.640 -0.001 0.000 0.226 193 D C 0.808 177.062 176.300 -0.077 0.000 1.066 193 D CA -0.289 53.656 54.000 -0.092 0.000 0.861 193 D CB -0.281 40.478 40.800 -0.067 0.000 0.912 193 D HN 0.603 nan 8.370 nan 0.000 0.521 194 A N 0.272 123.043 122.820 -0.082 0.000 2.462 194 A HA 0.355 4.675 4.320 -0.001 0.000 0.243 194 A C 0.517 178.065 177.584 -0.059 0.000 1.076 194 A CA -0.409 51.586 52.037 -0.070 0.000 0.773 194 A CB 0.267 19.222 19.000 -0.076 0.000 1.010 194 A HN 0.152 nan 8.150 nan 0.000 0.493 195 S N 2.254 117.930 115.700 -0.041 0.000 2.429 195 S HA 0.220 4.689 4.470 -0.001 0.000 0.292 195 S C 0.005 174.598 174.600 -0.011 0.000 1.183 195 S CA -0.061 58.124 58.200 -0.024 0.000 1.088 195 S CB -0.430 62.761 63.200 -0.015 0.000 1.018 195 S HN 0.425 nan 8.310 nan 0.000 0.511 196 I N 4.848 125.412 120.570 -0.011 0.000 2.307 196 I HA 0.314 4.483 4.170 -0.001 0.000 0.289 196 I C 0.480 176.629 176.117 0.054 0.000 1.021 196 I CA -0.443 60.860 61.300 0.004 0.000 1.224 196 I CB 0.079 38.065 38.000 -0.024 0.000 1.376 196 I HN 0.476 nan 8.210 nan 0.000 0.470 197 N N 3.476 122.238 118.700 0.103 0.000 2.563 197 N HA 0.200 4.940 4.740 -0.001 0.000 0.288 197 N C -0.333 175.305 175.510 0.214 0.000 1.246 197 N CA -0.681 52.506 53.050 0.229 0.000 0.946 197 N CB 0.702 39.393 38.487 0.341 0.000 1.213 197 N HN 0.469 nan 8.380 nan 0.000 0.578 198 H N -0.774 118.402 119.070 0.177 0.000 3.017 198 H HA 0.345 4.900 4.556 -0.001 0.000 0.276 198 H C 0.881 176.196 175.328 -0.023 0.000 1.062 198 H CA 1.307 57.355 56.048 -0.000 0.000 1.486 198 H CB -0.509 29.145 29.762 -0.181 0.000 1.507 198 H HN 0.830 nan 8.280 nan 0.000 0.508 199 G N 4.359 112.936 108.800 -0.370 0.000 2.273 199 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.162 199 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.162 199 G C 0.926 175.764 174.900 -0.103 0.000 1.006 199 G CA 0.024 44.982 45.100 -0.236 0.000 0.704 199 G HN 0.590 nan 8.290 nan 0.000 0.487 200 N N 0.557 119.214 118.700 -0.072 0.000 2.325 200 N HA 0.132 4.871 4.740 -0.001 0.000 0.182 200 N C 0.840 176.314 175.510 -0.059 0.000 1.088 200 N CA 0.457 53.483 53.050 -0.040 0.000 0.879 200 N CB 0.329 38.811 38.487 -0.008 0.000 0.983 200 N HN 0.317 nan 8.380 nan 0.000 0.471 201 S N -0.481 115.177 115.700 -0.069 0.000 2.558 201 S HA 0.268 4.737 4.470 -0.001 0.000 0.288 201 S C 1.441 175.981 174.600 -0.100 0.000 1.318 201 S CA 0.758 58.929 58.200 -0.048 0.000 1.056 201 S CB 0.745 63.958 63.200 0.023 0.000 0.853 201 S HN 0.576 nan 8.310 nan 0.000 0.505 202 G N 2.361 111.104 108.800 -0.095 0.000 2.347 202 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.247 202 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.247 202 G C 0.589 175.441 174.900 -0.081 0.000 1.037 202 G CA 0.185 45.224 45.100 -0.102 0.000 0.622 202 G HN 1.175 nan 8.290 nan 0.000 0.521 203 G N 0.404 109.160 108.800 -0.074 0.000 2.785 203 G HA2 0.559 4.518 3.960 -0.001 0.000 0.256 203 G HA3 0.559 4.518 3.960 -0.001 0.000 0.256 203 G C 0.447 175.315 174.900 -0.053 0.000 1.248 203 G CA 0.824 45.887 45.100 -0.061 0.000 0.914 203 G HN 1.689 nan 8.290 nan 0.000 0.580 204 A N -0.724 122.067 122.820 -0.047 0.000 2.320 204 A HA 0.699 5.018 4.320 -0.001 0.000 0.334 204 A C -0.536 177.021 177.584 -0.045 0.000 1.147 204 A CA -0.644 51.367 52.037 -0.044 0.000 0.820 204 A CB 1.417 20.390 19.000 -0.046 0.000 1.218 204 A HN 0.698 nan 8.150 nan 0.000 0.482 205 L N 3.392 124.590 121.223 -0.042 0.000 2.345 205 L HA 0.582 4.921 4.340 -0.001 0.000 0.274 205 L C -0.883 175.953 176.870 -0.057 0.000 0.999 205 L CA -0.593 54.219 54.840 -0.047 0.000 0.849 205 L CB 1.161 43.199 42.059 -0.035 0.000 1.220 205 L HN 0.714 nan 8.230 nan 0.000 0.422 206 V N 1.946 121.816 119.914 -0.072 0.000 2.815 206 V HA 0.616 4.736 4.120 -0.001 0.000 0.314 206 V C -0.164 175.874 176.094 -0.093 0.000 1.064 206 V CA -0.956 61.291 62.300 -0.088 0.000 0.952 206 V CB 1.737 33.510 31.823 -0.082 0.000 1.020 206 V HN 0.845 nan 8.190 nan 0.000 0.439 207 N N 2.003 120.646 118.700 -0.096 0.000 2.322 207 N HA 0.158 4.898 4.740 -0.001 0.000 0.270 207 N C 1.387 176.859 175.510 -0.062 0.000 1.286 207 N CA 0.122 53.121 53.050 -0.084 0.000 0.948 207 N CB 0.159 38.602 38.487 -0.072 0.000 1.164 207 N HN 0.985 nan 8.380 nan 0.000 0.551 208 S N -1.112 114.569 115.700 -0.032 0.000 2.465 208 S HA -0.095 4.375 4.470 -0.001 0.000 0.241 208 S C 1.367 175.995 174.600 0.047 0.000 1.000 208 S CA 0.627 58.857 58.200 0.050 0.000 0.964 208 S CB -0.749 62.534 63.200 0.138 0.000 0.763 208 S HN 0.525 nan 8.310 nan 0.000 0.512 209 L N 0.549 121.774 121.223 0.003 0.000 2.607 209 L HA 0.391 4.730 4.340 -0.001 0.000 0.228 209 L C 1.959 178.813 176.870 -0.028 0.000 1.123 209 L CA 0.286 55.122 54.840 -0.008 0.000 0.890 209 L CB -0.427 41.619 42.059 -0.021 0.000 1.103 209 L HN 0.572 nan 8.230 nan 0.000 0.468 210 G N -0.074 108.705 108.800 -0.036 0.000 2.217 210 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.246 210 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.246 210 G C 0.188 175.036 174.900 -0.088 0.000 0.990 210 G CA -0.245 44.825 45.100 -0.050 0.000 0.627 210 G HN 0.463 nan 8.290 nan 0.000 0.522 211 E N 0.480 120.613 120.200 -0.113 0.000 2.480 211 E HA 0.267 4.616 4.350 -0.001 0.000 0.258 211 E C 0.432 176.891 176.600 -0.235 0.000 0.984 211 E CA -0.402 55.886 56.400 -0.187 0.000 0.930 211 E CB 0.955 30.529 29.700 -0.209 0.000 0.936 211 E HN 0.329 nan 8.360 nan 0.000 0.466 212 L N 4.674 125.722 121.223 -0.291 0.000 2.530 212 L HA -0.069 4.270 4.340 -0.001 0.000 0.273 212 L C 0.639 177.284 176.870 -0.376 0.000 1.141 212 L CA 0.586 55.269 54.840 -0.262 0.000 0.905 212 L CB 0.337 42.279 42.059 -0.195 0.000 1.202 212 L HN 0.686 nan 8.230 nan 0.000 0.473 213 M N 3.492 123.004 119.600 -0.148 0.000 2.466 213 M HA 0.392 4.871 4.480 -0.001 0.000 0.265 213 M C 0.853 177.276 176.300 0.206 0.000 1.122 213 M CA 0.727 56.037 55.300 0.016 0.000 1.157 213 M CB -0.498 32.103 32.600 0.002 0.000 1.352 213 M HN 0.697 nan 8.290 nan 0.000 0.464 214 G N -0.080 108.780 108.800 0.100 0.000 2.506 214 G HA2 0.480 4.439 3.960 -0.001 0.000 0.292 214 G HA3 0.480 4.439 3.960 -0.001 0.000 0.292 214 G C -1.560 173.354 174.900 0.023 0.000 1.425 214 G CA -0.720 44.437 45.100 0.095 0.000 0.788 214 G HN -0.016 nan 8.290 nan 0.000 0.490 215 I N 1.320 121.887 120.570 -0.006 0.000 2.321 215 I HA 0.226 4.395 4.170 -0.001 0.000 0.291 215 I C 0.208 176.283 176.117 -0.071 0.000 0.998 215 I CA -0.790 60.486 61.300 -0.041 0.000 1.227 215 I CB 0.773 38.743 38.000 -0.050 0.000 1.368 215 I HN 0.467 nan 8.210 nan 0.000 0.466 216 N N 4.295 122.958 118.700 -0.062 0.000 2.411 216 N HA 0.061 4.800 4.740 -0.001 0.000 0.265 216 N C 0.707 176.169 175.510 -0.081 0.000 1.266 216 N CA 0.187 53.198 53.050 -0.065 0.000 0.889 216 N CB 1.148 39.604 38.487 -0.051 0.000 1.069 216 N HN 0.560 nan 8.380 nan 0.000 0.476 217 T N 2.374 116.864 114.554 -0.108 0.000 3.395 217 T HA 0.158 4.507 4.350 -0.001 0.000 0.230 217 T C 0.058 174.706 174.700 -0.087 0.000 0.958 217 T CA -0.136 61.897 62.100 -0.111 0.000 1.377 217 T CB 0.062 68.765 68.868 -0.275 0.000 1.124 217 T HN 0.490 nan 8.240 nan 0.000 0.425 218 L N 2.607 123.763 121.223 -0.111 0.000 1.990 218 L HA -0.086 4.253 4.340 -0.001 0.000 0.618 218 L C -0.328 176.234 176.870 -0.514 0.000 1.001 218 L CA -0.272 54.471 54.840 -0.162 0.000 1.310 218 L CB -1.946 40.038 42.059 -0.124 0.000 2.076 218 L HN 0.579 nan 8.230 nan 0.000 1.017 219 S N 4.834 120.353 115.700 -0.302 0.000 2.564 219 S HA 0.609 5.078 4.470 -0.001 0.000 0.278 219 S C 0.110 174.458 174.600 -0.419 0.000 1.333 219 S CA -0.489 57.507 58.200 -0.340 0.000 1.048 219 S CB 0.578 63.814 63.200 0.061 0.000 0.900 219 S HN 0.422 nan 8.310 nan 0.000 0.505 220 F N 2.436 122.420 119.950 0.057 0.000 2.502 220 F HA 0.223 4.749 4.527 -0.001 0.000 0.371 220 F C 1.372 177.218 175.800 0.077 0.000 1.083 220 F CA -0.591 57.438 58.000 0.049 0.000 1.174 220 F CB 0.034 39.038 39.000 0.006 0.000 1.096 220 F HN 0.583 nan 8.300 nan 0.000 0.545 221 D N 2.607 123.112 120.400 0.174 0.000 2.087 221 D HA -0.114 4.525 4.640 -0.001 0.000 0.201 221 D C 2.067 178.445 176.300 0.131 0.000 0.980 221 D CA 1.161 55.249 54.000 0.147 0.000 0.849 221 D CB -0.140 40.729 40.800 0.115 0.000 1.001 221 D HN 0.482 nan 8.370 nan 0.000 0.452 222 K N 0.283 120.748 120.400 0.108 0.000 1.987 222 K HA -0.313 4.007 4.320 -0.001 0.000 0.232 222 K C 1.314 177.958 176.600 0.073 0.000 1.034 222 K CA 2.479 58.814 56.287 0.081 0.000 1.013 222 K CB -0.364 32.179 32.500 0.071 0.000 0.736 222 K HN 0.062 nan 8.250 nan 0.000 0.446 223 S N -0.504 115.240 115.700 0.074 0.000 2.868 223 S HA -0.246 4.223 4.470 -0.001 0.000 0.270 223 S C -0.049 174.572 174.600 0.036 0.000 1.300 223 S CA 1.692 59.926 58.200 0.056 0.000 1.362 223 S CB -1.254 61.982 63.200 0.060 0.000 1.685 223 S HN 0.717 nan 8.310 nan 0.000 0.682 224 N N -0.297 118.425 118.700 0.037 0.000 3.526 224 N HA 0.539 5.279 4.740 -0.001 0.000 0.328 224 N C -0.943 174.585 175.510 0.029 0.000 1.601 224 N CA 0.005 53.071 53.050 0.027 0.000 0.834 224 N CB 0.393 38.895 38.487 0.025 0.000 1.983 224 N HN 0.219 nan 8.380 nan 0.000 0.579 225 D N -2.835 117.579 120.400 0.025 0.000 2.961 225 D HA 0.732 5.372 4.640 -0.001 0.000 0.257 225 D C 0.671 176.985 176.300 0.023 0.000 1.211 225 D CA 0.606 54.621 54.000 0.025 0.000 1.066 225 D CB 0.625 41.437 40.800 0.020 0.000 1.291 225 D HN 0.821 nan 8.370 nan 0.000 0.629 226 G N -0.762 108.050 108.800 0.020 0.000 2.490 226 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.214 226 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.214 226 G C 0.073 174.985 174.900 0.019 0.000 1.151 226 G CA 0.595 45.706 45.100 0.018 0.000 0.684 226 G HN 0.555 nan 8.290 nan 0.000 0.518 227 E N -1.238 118.976 120.200 0.023 0.000 2.394 227 E HA 0.588 4.937 4.350 -0.001 0.000 0.266 227 E C -1.012 175.606 176.600 0.030 0.000 1.065 227 E CA -0.401 56.013 56.400 0.024 0.000 0.885 227 E CB 1.156 30.869 29.700 0.022 0.000 1.659 227 E HN 0.697 nan 8.360 nan 0.000 0.462 228 T N -1.129 113.443 114.554 0.031 0.000 2.881 228 T HA 0.440 4.789 4.350 -0.001 0.000 0.290 228 T C -2.715 172.007 174.700 0.036 0.000 1.000 228 T CA -1.824 60.299 62.100 0.038 0.000 0.978 228 T CB 1.359 70.251 68.868 0.039 0.000 0.997 228 T HN 0.286 nan 8.240 nan 0.000 0.443 229 P HA 0.165 nan 4.420 nan 0.000 0.266 229 P C -0.255 177.060 177.300 0.025 0.000 1.419 229 P CA -0.042 63.083 63.100 0.041 0.000 1.112 229 P CB 0.229 31.967 31.700 0.064 0.000 1.438 230 E N 2.383 122.592 120.200 0.014 0.000 2.316 230 E HA 0.305 4.654 4.350 -0.001 0.000 0.275 230 E C 0.951 177.542 176.600 -0.016 0.000 1.029 230 E CA -0.130 56.272 56.400 0.002 0.000 0.871 230 E CB -0.082 29.620 29.700 0.003 0.000 1.022 230 E HN 0.652 nan 8.360 nan 0.000 0.418 231 G N 4.804 113.587 108.800 -0.028 0.000 2.249 231 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.273 231 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.273 231 G C 0.025 174.870 174.900 -0.093 0.000 1.036 231 G CA 0.465 45.533 45.100 -0.053 0.000 0.824 231 G HN 0.553 nan 8.290 nan 0.000 0.504 232 I N 0.930 121.434 120.570 -0.110 0.000 2.495 232 I HA 0.545 4.715 4.170 -0.001 0.000 0.277 232 I C 0.781 176.695 176.117 -0.338 0.000 1.045 232 I CA -0.399 60.769 61.300 -0.220 0.000 1.135 232 I CB 1.364 39.288 38.000 -0.126 0.000 1.241 232 I HN 0.188 nan 8.210 nan 0.000 0.469 233 G N 4.634 113.165 108.800 -0.447 0.000 2.473 233 G HA2 0.803 4.763 3.960 -0.001 0.000 0.321 233 G HA3 0.803 4.763 3.960 -0.001 0.000 0.321 233 G C -1.301 173.203 174.900 -0.660 0.000 1.200 233 G CA -0.378 44.481 45.100 -0.402 0.000 0.963 233 G HN 0.264 nan 8.290 nan 0.000 0.483 234 F N -0.058 119.878 119.950 -0.023 0.000 2.561 234 F HA 0.779 5.305 4.527 -0.001 0.000 0.321 234 F C 0.460 176.195 175.800 -0.107 0.000 1.065 234 F CA -0.657 57.336 58.000 -0.012 0.000 0.934 234 F CB 2.817 41.860 39.000 0.071 0.000 1.215 234 F HN 0.698 nan 8.300 nan 0.000 0.471 235 A N 2.062 124.928 122.820 0.077 0.000 2.539 235 A HA 0.796 5.115 4.320 -0.001 0.000 0.296 235 A C -1.244 176.267 177.584 -0.121 0.000 1.073 235 A CA -0.684 51.314 52.037 -0.065 0.000 0.700 235 A CB 1.112 20.098 19.000 -0.024 0.000 1.296 235 A HN 0.698 nan 8.150 nan 0.000 0.405 236 I N 2.296 122.740 120.570 -0.211 0.000 2.371 236 I HA 0.258 4.427 4.170 -0.001 0.000 0.290 236 I C -2.107 174.003 176.117 -0.012 0.000 1.028 236 I CA -1.817 59.386 61.300 -0.162 0.000 1.345 236 I CB 1.409 39.282 38.000 -0.212 0.000 1.407 236 I HN 0.363 nan 8.210 nan 0.000 0.501 237 P HA -0.131 nan 4.420 nan 0.000 0.263 237 P C 0.552 177.840 177.300 -0.020 0.000 1.175 237 P CA 0.156 63.267 63.100 0.018 0.000 0.761 237 P CB 0.234 31.915 31.700 -0.031 0.000 0.794 238 F N 2.690 122.628 119.950 -0.020 0.000 2.126 238 F HA -0.244 4.283 4.527 -0.001 0.000 0.299 238 F C 1.757 177.543 175.800 -0.024 0.000 1.096 238 F CA 1.389 59.372 58.000 -0.029 0.000 1.255 238 F CB -1.190 37.790 39.000 -0.033 0.000 0.997 238 F HN 0.176 nan 8.300 nan 0.000 0.479 239 Q N 1.010 120.122 119.800 -1.146 0.000 2.181 239 Q HA -0.149 4.190 4.340 -0.001 0.000 0.205 239 Q C 2.454 178.261 176.000 -0.321 0.000 0.980 239 Q CA 1.570 56.879 55.803 -0.823 0.000 0.862 239 Q CB -0.586 27.669 28.738 -0.806 0.000 0.905 239 Q HN 0.646 nan 8.270 nan 0.000 0.429 240 L N -0.619 120.475 121.223 -0.214 0.000 2.202 240 L HA 0.019 4.359 4.340 -0.001 0.000 0.205 240 L C 2.041 178.872 176.870 -0.065 0.000 1.083 240 L CA 0.879 55.657 54.840 -0.104 0.000 0.790 240 L CB -0.317 41.712 42.059 -0.051 0.000 0.942 240 L HN 0.098 nan 8.230 nan 0.000 0.452 241 A N -0.492 122.299 122.820 -0.048 0.000 1.940 241 A HA -0.211 4.108 4.320 -0.001 0.000 0.219 241 A C 2.181 179.751 177.584 -0.023 0.000 1.176 241 A CA 2.326 54.350 52.037 -0.022 0.000 0.631 241 A CB -0.893 18.110 19.000 0.005 0.000 0.814 241 A HN 0.442 nan 8.150 nan 0.000 0.446 242 T N -0.106 114.436 114.554 -0.021 0.000 2.614 242 T HA -0.142 4.207 4.350 -0.001 0.000 0.263 242 T C 1.942 176.614 174.700 -0.047 0.000 1.055 242 T CA 1.763 63.852 62.100 -0.018 0.000 1.162 242 T CB -0.245 68.625 68.868 0.003 0.000 0.863 242 T HN 0.559 nan 8.240 nan 0.000 0.414 243 K N 0.455 120.819 120.400 -0.060 0.000 2.089 243 K HA -0.086 4.233 4.320 -0.001 0.000 0.210 243 K C 2.210 178.777 176.600 -0.055 0.000 1.048 243 K CA 1.343 57.595 56.287 -0.059 0.000 0.926 243 K CB -0.364 32.097 32.500 -0.063 0.000 0.714 243 K HN 0.359 nan 8.250 nan 0.000 0.448 244 I N 0.765 121.305 120.570 -0.049 0.000 2.286 244 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 244 I C 2.631 178.718 176.117 -0.050 0.000 1.104 244 I CA 0.858 62.132 61.300 -0.043 0.000 1.397 244 I CB -0.103 37.877 38.000 -0.032 0.000 1.072 244 I HN 0.277 nan 8.210 nan 0.000 0.417 245 M N 0.859 120.425 119.600 -0.057 0.000 2.065 245 M HA -0.271 4.208 4.480 -0.001 0.000 0.259 245 M C 1.761 177.991 176.300 -0.117 0.000 1.071 245 M CA 2.121 57.375 55.300 -0.078 0.000 1.109 245 M CB -0.328 32.225 32.600 -0.079 0.000 1.313 245 M HN 0.134 nan 8.290 nan 0.000 0.408 246 D N 0.732 121.062 120.400 -0.117 0.000 2.172 246 D HA -0.194 4.445 4.640 -0.001 0.000 0.196 246 D C 1.907 178.147 176.300 -0.099 0.000 0.999 246 D CA 1.541 55.464 54.000 -0.128 0.000 0.856 246 D CB -0.338 40.405 40.800 -0.095 0.000 0.934 246 D HN 0.510 nan 8.370 nan 0.000 0.453 247 K N 0.140 120.497 120.400 -0.071 0.000 2.031 247 K HA 0.024 4.343 4.320 -0.001 0.000 0.205 247 K C 2.357 178.930 176.600 -0.045 0.000 1.049 247 K CA 0.295 56.552 56.287 -0.051 0.000 0.939 247 K CB -0.185 32.291 32.500 -0.041 0.000 0.717 247 K HN 0.139 nan 8.250 nan 0.000 0.438 248 L N 1.123 122.317 121.223 -0.047 0.000 2.261 248 L HA -0.195 4.144 4.340 -0.001 0.000 0.216 248 L C 2.210 179.061 176.870 -0.031 0.000 1.114 248 L CA 1.040 55.862 54.840 -0.030 0.000 0.777 248 L CB -0.290 41.755 42.059 -0.024 0.000 0.910 248 L HN 0.238 nan 8.230 nan 0.000 0.440 249 I N -0.824 119.701 120.570 -0.075 0.000 2.270 249 I HA -0.227 3.943 4.170 -0.001 0.000 0.239 249 I C 2.602 178.696 176.117 -0.039 0.000 1.080 249 I CA 0.738 61.989 61.300 -0.082 0.000 1.383 249 I CB -0.234 37.618 38.000 -0.246 0.000 1.097 249 I HN 0.153 nan 8.210 nan 0.000 0.420 250 R N 0.664 121.133 120.500 -0.051 0.000 2.285 250 R HA -0.138 4.202 4.340 -0.001 0.000 0.213 250 R C 0.602 176.895 176.300 -0.011 0.000 1.068 250 R CA 1.441 57.525 56.100 -0.027 0.000 1.004 250 R CB 0.085 30.365 30.300 -0.033 0.000 0.873 250 R HN 0.409 nan 8.270 nan 0.000 0.467 251 D N -2.679 117.715 120.400 -0.010 0.000 2.460 251 D HA 0.125 4.764 4.640 -0.001 0.000 0.263 251 D C 0.753 177.057 176.300 0.006 0.000 1.209 251 D CA 0.717 54.717 54.000 -0.000 0.000 0.818 251 D CB 1.230 42.028 40.800 -0.003 0.000 1.239 251 D HN 0.305 nan 8.370 nan 0.000 0.530 252 G N 2.762 111.567 108.800 0.007 0.000 2.212 252 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.266 252 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.266 252 G C 0.451 175.358 174.900 0.012 0.000 0.978 252 G CA 0.883 45.991 45.100 0.014 0.000 0.632 252 G HN 0.529 nan 8.290 nan 0.000 0.537 253 R N -1.976 118.528 120.500 0.006 0.000 2.664 253 R HA 0.596 4.935 4.340 -0.001 0.000 0.266 253 R C -1.339 174.960 176.300 -0.000 0.000 1.046 253 R CA -0.491 55.614 56.100 0.007 0.000 0.885 253 R CB 1.352 31.660 30.300 0.013 0.000 1.254 253 R HN 0.796 nan 8.270 nan 0.000 0.465 254 V N 4.587 124.498 119.914 -0.004 0.000 2.389 254 V HA 0.359 4.478 4.120 -0.001 0.000 0.264 254 V C -0.063 176.024 176.094 -0.011 0.000 1.049 254 V CA -0.494 61.797 62.300 -0.015 0.000 0.932 254 V CB 0.351 32.158 31.823 -0.026 0.000 1.011 254 V HN 0.657 nan 8.190 nan 0.000 0.475 255 I N 8.690 129.256 120.570 -0.006 0.000 2.363 255 I HA 0.393 4.563 4.170 -0.001 0.000 0.292 255 I C 0.676 176.792 176.117 -0.001 0.000 1.075 255 I CA 0.048 61.353 61.300 0.009 0.000 1.333 255 I CB 0.336 38.345 38.000 0.014 0.000 1.415 255 I HN 0.526 nan 8.210 nan 0.000 0.502 256 R N 4.385 124.888 120.500 0.004 0.000 2.604 256 R HA 0.504 4.843 4.340 -0.001 0.000 0.287 256 R C 0.138 176.484 176.300 0.077 0.000 0.970 256 R CA -0.827 55.258 56.100 -0.025 0.000 0.946 256 R CB 1.720 31.901 30.300 -0.200 0.000 1.127 256 R HN 0.734 nan 8.270 nan 0.000 0.473 257 G N 2.074 110.917 108.800 0.072 0.000 2.338 257 G HA2 0.126 4.085 3.960 -0.001 0.000 0.295 257 G HA3 0.126 4.085 3.960 -0.001 0.000 0.295 257 G C -1.109 173.934 174.900 0.239 0.000 1.132 257 G CA -0.067 45.108 45.100 0.125 0.000 0.922 257 G HN 0.444 nan 8.290 nan 0.000 0.427 258 Y N 3.448 123.841 120.300 0.155 0.000 2.310 258 Y HA 0.497 5.046 4.550 -0.001 0.000 0.326 258 Y C 0.732 176.686 175.900 0.090 0.000 1.151 258 Y CA -1.252 56.965 58.100 0.195 0.000 1.195 258 Y CB 1.614 40.173 38.460 0.164 0.000 1.210 258 Y HN 0.394 nan 8.280 nan 0.000 0.483 259 I N 2.377 122.583 120.570 -0.607 0.000 3.345 259 I HA 0.350 4.519 4.170 -0.001 0.000 0.258 259 I C 0.678 176.272 176.117 -0.872 0.000 1.134 259 I CA 0.700 61.676 61.300 -0.539 0.000 1.457 259 I CB 0.633 38.495 38.000 -0.230 0.000 1.425 259 I HN 0.835 nan 8.210 nan 0.000 0.461 260 G N 3.382 111.589 108.800 -0.988 0.000 2.742 260 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.257 260 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.257 260 G C -0.594 174.198 174.900 -0.180 0.000 1.143 260 G CA 0.155 44.928 45.100 -0.546 0.000 1.064 260 G HN 0.379 nan 8.290 nan 0.000 0.529 261 I N -1.010 119.508 120.570 -0.086 0.000 3.263 261 I HA 0.828 4.998 4.170 -0.001 0.000 0.314 261 I C 0.636 176.755 176.117 0.002 0.000 1.269 261 I CA -0.658 60.619 61.300 -0.039 0.000 0.942 261 I CB 2.210 40.178 38.000 -0.054 0.000 1.305 261 I HN 0.539 nan 8.210 nan 0.000 0.474 262 G N -0.242 108.559 108.800 0.001 0.000 2.870 262 G HA2 0.856 4.815 3.960 -0.001 0.000 0.299 262 G HA3 0.856 4.815 3.960 -0.001 0.000 0.299 262 G C -0.708 174.193 174.900 0.001 0.000 1.324 262 G CA -0.236 44.870 45.100 0.009 0.000 0.808 262 G HN 1.183 nan 8.290 nan 0.000 0.535 263 G N -2.515 106.286 108.800 0.002 0.000 2.366 263 G HA2 0.724 4.684 3.960 -0.001 0.000 0.190 263 G HA3 0.724 4.684 3.960 -0.001 0.000 0.190 263 G C -0.467 174.432 174.900 -0.002 0.000 1.299 263 G CA 1.088 46.187 45.100 -0.001 0.000 1.056 263 G HN 2.150 nan 8.290 nan 0.000 0.468 282 I N 1.884 122.450 120.570 -0.007 0.000 2.307 282 I HA 0.540 4.709 4.170 -0.001 0.000 0.289 282 I C 0.070 176.183 176.117 -0.007 0.000 1.021 282 I CA -0.775 60.521 61.300 -0.007 0.000 1.224 282 I CB 0.795 38.791 38.000 -0.008 0.000 1.376 282 I HN 0.245 nan 8.210 nan 0.000 0.470 283 V N 7.770 127.681 119.914 -0.006 0.000 2.617 283 V HA -0.059 4.061 4.120 -0.001 0.000 0.304 283 V C 0.577 176.667 176.094 -0.007 0.000 1.040 283 V CA -0.025 62.271 62.300 -0.006 0.000 1.149 283 V CB 1.028 32.848 31.823 -0.005 0.000 0.914 283 V HN 0.561 nan 8.190 nan 0.000 0.487 284 V N 4.789 124.698 119.914 -0.008 0.000 2.370 284 V HA 0.177 4.296 4.120 -0.001 0.000 0.279 284 V C 0.460 176.549 176.094 -0.008 0.000 1.280 284 V CA -0.415 61.879 62.300 -0.010 0.000 1.392 284 V CB -0.198 31.617 31.823 -0.014 0.000 1.464 284 V HN 0.943 nan 8.190 nan 0.000 0.525 285 N N 2.918 121.615 118.700 -0.006 0.000 2.415 285 N HA 0.168 4.907 4.740 -0.001 0.000 0.246 285 N C 0.112 175.621 175.510 -0.002 0.000 1.078 285 N CA 0.074 53.122 53.050 -0.004 0.000 0.942 285 N CB 0.278 38.764 38.487 -0.002 0.000 1.140 285 N HN 0.464 nan 8.380 nan 0.000 0.501 286 E N 2.556 122.755 120.200 -0.003 0.000 3.243 286 E HA -0.177 4.173 4.350 -0.001 0.000 0.178 286 E C -1.436 175.163 176.600 -0.002 0.000 1.421 286 E CA 0.673 57.072 56.400 -0.001 0.000 0.787 286 E CB -1.309 28.392 29.700 0.002 0.000 1.099 286 E HN 0.606 nan 8.360 nan 0.000 0.396 287 V N 1.478 121.388 119.914 -0.007 0.000 2.894 287 V HA 0.565 4.684 4.120 -0.001 0.000 0.373 287 V C 1.555 177.641 176.094 -0.013 0.000 1.286 287 V CA 0.967 63.259 62.300 -0.014 0.000 1.331 287 V CB 0.531 32.342 31.823 -0.021 0.000 1.415 287 V HN 0.540 nan 8.190 nan 0.000 0.585 288 S N 1.186 116.884 115.700 -0.004 0.000 2.556 288 S HA 0.415 4.885 4.470 -0.001 0.000 0.216 288 S C -0.614 173.990 174.600 0.007 0.000 0.970 288 S CA -0.330 57.870 58.200 -0.001 0.000 0.912 288 S CB -0.500 62.700 63.200 0.000 0.000 0.790 288 S HN 0.596 nan 8.310 nan 0.000 0.504 289 P HA 0.174 nan 4.420 nan 0.000 0.266 289 P C -0.542 176.772 177.300 0.023 0.000 1.195 289 P CA 0.217 63.340 63.100 0.038 0.000 0.768 289 P CB 0.670 32.421 31.700 0.085 0.000 0.838 290 D N 1.063 121.482 120.400 0.032 0.000 2.434 290 D HA 0.139 4.778 4.640 -0.001 0.000 0.232 290 D C 1.148 177.465 176.300 0.029 0.000 1.166 290 D CA -0.496 53.515 54.000 0.019 0.000 0.830 290 D CB -0.286 40.522 40.800 0.014 0.000 0.960 290 D HN 0.362 nan 8.370 nan 0.000 0.497 291 G N 1.141 109.970 108.800 0.048 0.000 2.820 291 G HA2 0.055 4.014 3.960 -0.001 0.000 0.158 291 G HA3 0.055 4.014 3.960 -0.001 0.000 0.158 291 G C -0.951 173.943 174.900 -0.010 0.000 1.715 291 G CA -0.099 45.039 45.100 0.065 0.000 1.057 291 G HN 0.146 nan 8.290 nan 0.000 0.525 292 P HA 0.037 nan 4.420 nan 0.000 0.230 292 P C 1.546 178.801 177.300 -0.076 0.000 1.158 292 P CA 1.517 64.581 63.100 -0.060 0.000 0.769 292 P CB 0.066 31.722 31.700 -0.073 0.000 0.807 293 A N 0.646 123.402 122.820 -0.107 0.000 1.898 293 A HA 0.045 4.365 4.320 -0.001 0.000 0.216 293 A C 2.391 179.944 177.584 -0.051 0.000 1.181 293 A CA 1.799 53.783 52.037 -0.088 0.000 0.620 293 A CB -1.395 17.542 19.000 -0.105 0.000 0.819 293 A HN 0.235 nan 8.150 nan 0.000 0.442 294 A N 0.806 123.603 122.820 -0.039 0.000 1.821 294 A HA -0.167 4.152 4.320 -0.001 0.000 0.215 294 A C 1.476 179.048 177.584 -0.020 0.000 1.214 294 A CA 1.360 53.384 52.037 -0.023 0.000 0.608 294 A CB -0.954 18.039 19.000 -0.013 0.000 0.862 294 A HN 0.513 nan 8.150 nan 0.000 0.448 295 N N 0.758 119.448 118.700 -0.016 0.000 2.840 295 N HA -0.069 4.670 4.740 -0.001 0.000 0.211 295 N C 0.240 175.742 175.510 -0.013 0.000 1.269 295 N CA 1.213 54.256 53.050 -0.011 0.000 0.989 295 N CB -0.583 37.900 38.487 -0.006 0.000 1.053 295 N HN 0.751 nan 8.380 nan 0.000 0.453 296 A N -1.957 120.853 122.820 -0.017 0.000 2.012 296 A HA 0.520 4.840 4.320 -0.001 0.000 0.237 296 A C 0.730 178.304 177.584 -0.017 0.000 1.940 296 A CA 0.064 52.092 52.037 -0.015 0.000 1.903 296 A CB -0.308 18.683 19.000 -0.014 0.000 0.745 296 A HN 0.496 nan 8.150 nan 0.000 0.926 297 G N -0.074 108.717 108.800 -0.016 0.000 2.893 297 G HA2 0.482 4.442 3.960 -0.001 0.000 0.222 297 G HA3 0.482 4.442 3.960 -0.001 0.000 0.222 297 G C 1.296 176.185 174.900 -0.018 0.000 1.345 297 G CA 0.885 45.975 45.100 -0.016 0.000 1.129 297 G HN 2.388 nan 8.290 nan 0.000 0.560 298 I N 0.817 121.374 120.570 -0.021 0.000 2.800 298 I HA 0.213 4.383 4.170 -0.001 0.000 0.163 298 I C 0.690 176.794 176.117 -0.021 0.000 0.895 298 I CA 2.192 63.478 61.300 -0.024 0.000 2.712 298 I CB -0.783 37.198 38.000 -0.033 0.000 0.618 298 I HN 0.935 nan 8.210 nan 0.000 0.354 299 Q N 3.252 123.042 119.800 -0.018 0.000 2.194 299 Q HA 0.615 4.954 4.340 -0.001 0.000 0.245 299 Q C 1.089 177.080 176.000 -0.015 0.000 0.993 299 Q CA -0.016 55.778 55.803 -0.014 0.000 0.930 299 Q CB 1.761 30.492 28.738 -0.012 0.000 1.238 299 Q HN 1.248 nan 8.270 nan 0.000 0.486 300 V N 1.780 121.687 119.914 -0.011 0.000 3.602 300 V HA 0.031 4.150 4.120 -0.001 0.000 0.289 300 V C -0.549 175.540 176.094 -0.009 0.000 1.265 300 V CA 0.915 63.209 62.300 -0.010 0.000 1.202 300 V CB -1.106 30.713 31.823 -0.008 0.000 1.012 300 V HN 0.780 nan 8.190 nan 0.000 0.431 301 N N 1.084 119.779 118.700 -0.009 0.000 4.308 301 N HA 0.150 4.890 4.740 -0.001 0.000 0.168 301 N C -1.480 174.025 175.510 -0.008 0.000 1.348 301 N CA 0.108 53.154 53.050 -0.008 0.000 0.882 301 N CB 0.582 39.065 38.487 -0.006 0.000 1.713 301 N HN 0.494 nan 8.380 nan 0.000 0.818 302 D N 0.956 121.350 120.400 -0.010 0.000 2.946 302 D HA 0.344 4.984 4.640 -0.001 0.000 0.337 302 D C -1.148 175.147 176.300 -0.010 0.000 1.332 302 D CA -0.562 53.432 54.000 -0.009 0.000 0.935 302 D CB 1.378 42.172 40.800 -0.011 0.000 1.440 302 D HN 0.223 nan 8.370 nan 0.000 0.540 303 L N 0.811 122.028 121.223 -0.009 0.000 2.404 303 L HA 0.398 4.737 4.340 -0.001 0.000 0.272 303 L C -1.048 175.816 176.870 -0.010 0.000 0.980 303 L CA -0.830 54.005 54.840 -0.009 0.000 0.836 303 L CB 1.048 43.103 42.059 -0.007 0.000 1.238 303 L HN 0.274 nan 8.230 nan 0.000 0.408 304 I N 5.140 125.703 120.570 -0.012 0.000 2.720 304 I HA 0.076 4.246 4.170 -0.001 0.000 0.287 304 I C 0.972 177.083 176.117 -0.011 0.000 1.090 304 I CA -0.055 61.237 61.300 -0.013 0.000 1.384 304 I CB 1.327 39.317 38.000 -0.016 0.000 1.420 304 I HN 0.689 nan 8.210 nan 0.000 0.575 305 I N 1.975 122.539 120.570 -0.010 0.000 3.300 305 I HA 0.007 4.176 4.170 -0.001 0.000 0.279 305 I C 0.776 176.887 176.117 -0.009 0.000 1.172 305 I CA 0.881 62.175 61.300 -0.009 0.000 1.431 305 I CB 0.090 38.085 38.000 -0.008 0.000 1.240 305 I HN 0.652 nan 8.210 nan 0.000 0.453 306 S N 1.727 117.421 115.700 -0.010 0.000 2.776 306 S HA 0.495 4.965 4.470 -0.001 0.000 0.284 306 S C -0.556 174.037 174.600 -0.012 0.000 1.160 306 S CA -0.694 57.500 58.200 -0.010 0.000 1.051 306 S CB 1.304 64.499 63.200 -0.009 0.000 1.037 306 S HN -0.055 nan 8.310 nan 0.000 0.485 307 V N 2.933 122.840 119.914 -0.012 0.000 2.599 307 V HA 0.181 4.300 4.120 -0.001 0.000 0.300 307 V C 1.416 177.503 176.094 -0.012 0.000 1.034 307 V CA 0.105 62.397 62.300 -0.014 0.000 1.115 307 V CB -0.664 31.151 31.823 -0.013 0.000 0.934 307 V HN 1.140 nan 8.190 nan 0.000 0.485 308 D N 3.496 123.888 120.400 -0.012 0.000 3.251 308 D HA -0.282 4.358 4.640 -0.001 0.000 0.188 308 D C 0.578 176.872 176.300 -0.009 0.000 1.339 308 D CA 1.931 55.925 54.000 -0.010 0.000 1.010 308 D CB -0.100 40.694 40.800 -0.009 0.000 0.577 308 D HN 0.775 nan 8.370 nan 0.000 0.623 309 N N 1.472 120.168 118.700 -0.008 0.000 2.558 309 N HA 0.178 4.917 4.740 -0.001 0.000 0.281 309 N C -0.520 174.987 175.510 -0.006 0.000 1.219 309 N CA 0.193 53.239 53.050 -0.007 0.000 0.942 309 N CB 0.688 39.172 38.487 -0.006 0.000 1.241 309 N HN 0.149 nan 8.380 nan 0.000 0.511 310 K N 0.100 120.496 120.400 -0.007 0.000 2.536 310 K HA 0.511 4.831 4.320 -0.001 0.000 0.269 310 K C -2.704 173.892 176.600 -0.007 0.000 0.965 310 K CA -1.944 54.339 56.287 -0.007 0.000 0.860 310 K CB 1.610 34.105 32.500 -0.007 0.000 1.423 310 K HN -0.210 nan 8.250 nan 0.000 0.438 311 P HA -0.050 nan 4.420 nan 0.000 0.266 311 P C -1.100 176.196 177.300 -0.007 0.000 1.180 311 P CA 0.358 63.454 63.100 -0.006 0.000 0.765 311 P CB 0.459 32.156 31.700 -0.005 0.000 0.806 312 A N 3.194 126.009 122.820 -0.007 0.000 3.219 312 A HA 0.259 4.579 4.320 -0.001 0.000 0.314 312 A C 1.294 178.874 177.584 -0.007 0.000 1.081 312 A CA -0.405 51.628 52.037 -0.008 0.000 0.995 312 A CB -0.948 18.047 19.000 -0.009 0.000 1.067 312 A HN 0.494 nan 8.150 nan 0.000 0.533 313 I N 0.386 120.952 120.570 -0.006 0.000 2.127 313 I HA -0.165 4.004 4.170 -0.001 0.000 0.241 313 I C 1.496 177.609 176.117 -0.005 0.000 1.075 313 I CA 1.519 62.816 61.300 -0.005 0.000 1.334 313 I CB -0.170 37.827 38.000 -0.005 0.000 1.040 313 I HN 0.593 nan 8.210 nan 0.000 0.405 314 S N -0.368 115.328 115.700 -0.006 0.000 2.648 314 S HA 0.696 5.165 4.470 -0.001 0.000 0.305 314 S C 0.460 175.056 174.600 -0.007 0.000 1.094 314 S CA -0.317 57.880 58.200 -0.006 0.000 0.983 314 S CB 2.110 65.306 63.200 -0.006 0.000 1.101 314 S HN 0.163 nan 8.310 nan 0.000 0.514 315 A N 0.716 123.532 122.820 -0.006 0.000 1.898 315 A HA 0.210 4.529 4.320 -0.001 0.000 0.214 315 A C 1.943 179.525 177.584 -0.004 0.000 1.183 315 A CA 0.584 52.618 52.037 -0.005 0.000 0.622 315 A CB -1.048 17.950 19.000 -0.003 0.000 0.824 315 A HN 0.791 nan 8.150 nan 0.000 0.444 316 L N -0.678 120.540 121.223 -0.007 0.000 1.961 316 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 316 L C 2.637 179.500 176.870 -0.012 0.000 1.072 316 L CA 1.969 56.802 54.840 -0.011 0.000 0.749 316 L CB -0.691 41.358 42.059 -0.016 0.000 0.889 316 L HN 0.548 nan 8.230 nan 0.000 0.432 317 E N -0.627 119.566 120.200 -0.012 0.000 2.333 317 E HA -0.207 4.143 4.350 -0.001 0.000 0.200 317 E C 1.795 178.388 176.600 -0.012 0.000 1.010 317 E CA 1.431 57.823 56.400 -0.013 0.000 0.841 317 E CB 0.155 29.849 29.700 -0.011 0.000 0.757 317 E HN 0.438 nan 8.360 nan 0.000 0.508 318 T N 0.422 114.970 114.554 -0.009 0.000 2.814 318 T HA -0.064 4.286 4.350 -0.001 0.000 0.254 318 T C 1.742 176.438 174.700 -0.006 0.000 1.037 318 T CA 0.895 62.990 62.100 -0.009 0.000 1.143 318 T CB 0.007 68.870 68.868 -0.008 0.000 0.866 318 T HN 0.149 nan 8.240 nan 0.000 0.431 319 M N 1.646 121.246 119.600 -0.001 0.000 2.108 319 M HA -0.108 4.372 4.480 -0.001 0.000 0.261 319 M C 1.671 177.970 176.300 -0.002 0.000 1.066 319 M CA 1.484 56.790 55.300 0.010 0.000 1.107 319 M CB -1.392 31.222 32.600 0.024 0.000 1.356 319 M HN 0.157 nan 8.290 nan 0.000 0.406 320 D N 0.120 120.512 120.400 -0.014 0.000 2.354 320 D HA -0.148 4.492 4.640 -0.001 0.000 0.216 320 D C 2.104 178.391 176.300 -0.023 0.000 0.970 320 D CA 0.870 54.855 54.000 -0.025 0.000 0.905 320 D CB -0.031 40.753 40.800 -0.027 0.000 0.903 320 D HN 0.535 nan 8.370 nan 0.000 0.508 321 Q N -0.658 119.134 119.800 -0.015 0.000 2.287 321 Q HA 0.039 4.379 4.340 -0.001 0.000 0.201 321 Q C 2.247 178.242 176.000 -0.008 0.000 0.946 321 Q CA 0.284 56.079 55.803 -0.013 0.000 0.868 321 Q CB 0.255 28.986 28.738 -0.011 0.000 0.967 321 Q HN 0.133 nan 8.270 nan 0.000 0.516 322 V N 1.621 121.534 119.914 -0.002 0.000 2.380 322 V HA -0.301 3.819 4.120 -0.001 0.000 0.251 322 V C 2.255 178.361 176.094 0.020 0.000 1.063 322 V CA 1.973 64.278 62.300 0.008 0.000 1.055 322 V CB -0.964 30.866 31.823 0.011 0.000 0.657 322 V HN 0.381 nan 8.190 nan 0.000 0.455 323 A N -0.392 122.433 122.820 0.008 0.000 2.015 323 A HA -0.154 4.166 4.320 -0.001 0.000 0.219 323 A C 1.984 179.559 177.584 -0.014 0.000 1.163 323 A CA 1.438 53.470 52.037 -0.009 0.000 0.646 323 A CB -0.333 18.627 19.000 -0.066 0.000 0.806 323 A HN 0.510 nan 8.150 nan 0.000 0.448 324 E N -0.142 120.049 120.200 -0.015 0.000 2.335 324 E HA 0.160 4.510 4.350 -0.001 0.000 0.191 324 E C -0.626 175.970 176.600 -0.006 0.000 1.077 324 E CA 0.030 56.420 56.400 -0.016 0.000 1.010 324 E CB -0.118 29.570 29.700 -0.021 0.000 1.141 324 E HN 0.342 nan 8.360 nan 0.000 0.452 325 I N 1.813 122.385 120.570 0.004 0.000 2.411 325 I HA 0.294 4.463 4.170 -0.001 0.000 0.284 325 I C 0.233 176.361 176.117 0.018 0.000 1.012 325 I CA -0.624 60.681 61.300 0.008 0.000 1.119 325 I CB 1.232 39.237 38.000 0.009 0.000 1.261 325 I HN -0.013 nan 8.210 nan 0.000 0.448 326 R N 5.745 126.253 120.500 0.013 0.000 2.640 326 R HA 0.138 4.477 4.340 -0.001 0.000 0.270 326 R C -2.096 174.219 176.300 0.026 0.000 1.024 326 R CA -1.099 55.013 56.100 0.019 0.000 1.085 326 R CB 0.102 30.410 30.300 0.012 0.000 0.963 326 R HN 0.287 nan 8.270 nan 0.000 0.426 327 P HA -0.123 nan 4.420 nan 0.000 0.269 327 P C 0.687 178.003 177.300 0.028 0.000 1.205 327 P CA 0.989 64.113 63.100 0.040 0.000 0.780 327 P CB 0.474 32.201 31.700 0.045 0.000 0.858 328 G N -0.027 108.789 108.800 0.027 0.000 2.396 328 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.242 328 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.242 328 G C 0.693 175.601 174.900 0.014 0.000 1.069 328 G CA 0.525 45.636 45.100 0.019 0.000 0.633 328 G HN 0.637 nan 8.290 nan 0.000 0.517 329 S N -0.593 115.115 115.700 0.013 0.000 2.592 329 S HA 0.479 4.949 4.470 -0.001 0.000 0.256 329 S C 0.291 174.895 174.600 0.006 0.000 1.369 329 S CA 0.585 58.790 58.200 0.008 0.000 0.984 329 S CB 1.592 64.796 63.200 0.008 0.000 0.919 329 S HN 1.153 nan 8.310 nan 0.000 0.576 330 V N 1.503 121.418 119.914 0.002 0.000 2.888 330 V HA 0.652 4.772 4.120 -0.001 0.000 0.309 330 V C -0.495 175.596 176.094 -0.004 0.000 1.114 330 V CA -0.796 61.503 62.300 -0.002 0.000 0.940 330 V CB 1.508 33.329 31.823 -0.002 0.000 1.021 330 V HN 0.840 nan 8.190 nan 0.000 0.426 331 I N 1.041 121.607 120.570 -0.007 0.000 2.894 331 I HA 0.761 4.931 4.170 -0.001 0.000 0.302 331 I C -2.946 173.165 176.117 -0.011 0.000 1.188 331 I CA -2.473 58.822 61.300 -0.009 0.000 1.014 331 I CB 3.081 41.075 38.000 -0.009 0.000 1.242 331 I HN 0.426 nan 8.210 nan 0.000 0.430 332 P HA 0.209 nan 4.420 nan 0.000 0.286 332 P C -0.618 176.675 177.300 -0.012 0.000 1.321 332 P CA -0.122 62.972 63.100 -0.010 0.000 0.790 332 P CB 1.403 33.098 31.700 -0.008 0.000 0.897 333 V N 4.816 124.721 119.914 -0.015 0.000 2.481 333 V HA 0.166 4.286 4.120 -0.001 0.000 0.286 333 V C 0.980 177.066 176.094 -0.014 0.000 1.042 333 V CA -0.431 61.859 62.300 -0.017 0.000 0.928 333 V CB 1.983 33.792 31.823 -0.022 0.000 0.986 333 V HN 0.254 nan 8.190 nan 0.000 0.462 334 V N 4.789 124.695 119.914 -0.013 0.000 2.776 334 V HA 0.725 4.844 4.120 -0.001 0.000 0.332 334 V C 0.303 176.391 176.094 -0.011 0.000 1.201 334 V CA 0.676 62.970 62.300 -0.011 0.000 1.401 334 V CB -0.476 31.341 31.823 -0.010 0.000 1.552 334 V HN 1.191 nan 8.190 nan 0.000 0.605 342 L N 0.824 122.043 121.223 -0.007 0.000 2.426 342 L HA 0.996 5.336 4.340 -0.001 0.000 0.255 342 L C 0.931 177.797 176.870 -0.008 0.000 1.080 342 L CA -0.048 54.788 54.840 -0.007 0.000 0.960 342 L CB -0.069 41.986 42.059 -0.007 0.000 1.326 342 L HN 1.317 nan 8.230 nan 0.000 0.441 343 T N 1.126 115.675 114.554 -0.008 0.000 2.695 343 T HA 0.606 4.956 4.350 -0.001 0.000 0.264 343 T C 0.178 174.873 174.700 -0.009 0.000 0.993 343 T CA 0.943 63.038 62.100 -0.008 0.000 1.248 343 T CB -0.847 68.017 68.868 -0.007 0.000 0.946 343 T HN 2.203 nan 8.240 nan 0.000 0.526 344 L N 4.647 125.864 121.223 -0.011 0.000 2.280 344 L HA 0.742 5.081 4.340 -0.001 0.000 0.287 344 L C 0.433 177.295 176.870 -0.013 0.000 1.023 344 L CA -1.376 53.457 54.840 -0.012 0.000 0.819 344 L CB 0.480 42.532 42.059 -0.013 0.000 1.212 344 L HN 1.023 nan 8.230 nan 0.000 0.420 345 Q N 2.045 121.838 119.800 -0.011 0.000 2.394 345 Q HA 0.726 5.066 4.340 -0.001 0.000 0.248 345 Q C -0.942 175.049 176.000 -0.014 0.000 0.992 345 Q CA -0.342 55.454 55.803 -0.012 0.000 0.888 345 Q CB 1.514 30.247 28.738 -0.009 0.000 1.257 345 Q HN 0.608 nan 8.270 nan 0.000 0.462 346 V N 1.187 121.092 119.914 -0.016 0.000 2.932 346 V HA 0.371 4.491 4.120 -0.001 0.000 0.307 346 V C -0.468 175.617 176.094 -0.015 0.000 1.147 346 V CA -0.726 61.563 62.300 -0.020 0.000 0.951 346 V CB 2.210 34.014 31.823 -0.031 0.000 1.031 346 V HN 1.012 nan 8.190 nan 0.000 0.426 347 T N 1.444 115.991 114.554 -0.011 0.000 2.771 347 T HA 0.724 5.073 4.350 -0.001 0.000 0.291 347 T C -0.429 174.270 174.700 -0.001 0.000 0.954 347 T CA -0.392 61.707 62.100 -0.003 0.000 1.045 347 T CB 0.660 69.529 68.868 0.003 0.000 0.917 347 T HN 0.261 nan 8.240 nan 0.000 0.484 348 I N 3.276 123.850 120.570 0.006 0.000 2.496 348 I HA 0.215 4.384 4.170 -0.001 0.000 0.285 348 I C 0.960 177.104 176.117 0.046 0.000 1.080 348 I CA 0.281 61.592 61.300 0.018 0.000 1.404 348 I CB 0.583 38.598 38.000 0.024 0.000 1.403 348 I HN 0.716 nan 8.210 nan 0.000 0.539 349 Q N 3.526 123.373 119.800 0.078 0.000 2.547 349 Q HA 0.516 4.855 4.340 -0.001 0.000 0.181 349 Q C -0.498 175.597 176.000 0.159 0.000 1.005 349 Q CA -0.915 54.956 55.803 0.113 0.000 1.005 349 Q CB 0.958 29.784 28.738 0.146 0.000 1.574 349 Q HN 0.560 nan 8.270 nan 0.000 0.499 350 E N 0.125 120.420 120.200 0.158 0.000 2.187 350 E HA 0.172 4.522 4.350 -0.001 0.000 0.268 350 E C -1.407 175.294 176.600 0.168 0.000 0.896 350 E CA -0.536 55.962 56.400 0.162 0.000 0.766 350 E CB 0.841 30.599 29.700 0.096 0.000 1.142 350 E HN 0.400 nan 8.360 nan 0.000 0.408 351 Y N 4.582 124.903 120.300 0.035 0.000 3.053 351 Y HA -0.109 4.440 4.550 -0.001 0.000 0.346 351 Y C -1.696 174.088 175.900 -0.195 0.000 1.279 351 Y CA -0.192 57.822 58.100 -0.144 0.000 1.513 351 Y CB 0.251 38.666 38.460 -0.075 0.000 1.295 351 Y HN 0.463 nan 8.280 nan 0.000 0.642 352 P HA 0.282 nan 4.420 nan 0.000 0.276 352 P C -1.086 176.141 177.300 -0.122 0.000 1.252 352 P CA -0.308 62.600 63.100 -0.320 0.000 0.802 352 P CB 0.873 32.286 31.700 -0.479 0.000 1.035 353 A N 0.000 122.775 122.820 -0.076 0.000 2.254 353 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 353 A CA 0.000 52.024 52.037 -0.021 0.000 0.836 353 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 353 A HN 0.000 nan 8.150 nan 0.000 0.486