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 3cis_1_B DATA FIRST_RESID 5 DATA SEQUENCE NSSLGIIVGI DDSPAAQVAV RWAARDAELR KIPLTLVHAV SPEVATWLEV DATA SEQUENCE PLPPGVLRWQ QDHGRHLIDD ALKVVEQASL RAGPPTVHSE IVPAAAVPTL DATA SEQUENCE VDMSKDAVLM VVGCLGSGRW PGRLLGSVSS GLLRHAHCPV VIIHDEDSVM DATA SEQUENCE PHPQQAPVLV GVDGSSASEL ATAIAFDEAS RRNVDLVALH AWSDVDVSEW DATA SEQUENCE PGIDWPATQS MAEQVLAERL AGWQERYPNV AITRVVVRDQ PARQLVQRSE DATA SEQUENCE EAQLVVVGSR GRGGYAGMLV GSVGETVAQL ARTPVIVARE 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.525 175.510 0.025 0.000 1.280 5 N CA 0.000 53.061 53.050 0.018 0.000 0.885 5 N CB 0.000 38.496 38.487 0.014 0.000 1.341 6 S N -0.700 115.019 115.700 0.030 0.000 3.521 6 S HA -0.241 4.229 4.470 -0.000 0.000 0.328 6 S C 1.267 175.889 174.600 0.036 0.000 1.165 6 S CA 2.161 60.384 58.200 0.038 0.000 0.941 6 S CB -2.845 60.380 63.200 0.042 0.000 0.951 6 S HN 2.186 nan 8.310 nan 0.000 0.539 7 S N 0.604 116.323 115.700 0.033 0.000 2.461 7 S HA 0.234 4.704 4.470 -0.000 0.000 0.228 7 S C 1.522 176.147 174.600 0.042 0.000 1.005 7 S CA 0.576 58.794 58.200 0.031 0.000 0.942 7 S CB -0.451 62.763 63.200 0.023 0.000 0.776 7 S HN 0.639 nan 8.310 nan 0.000 0.514 8 L N 1.449 122.704 121.223 0.054 0.000 2.465 8 L HA 0.165 4.505 4.340 -0.000 0.000 0.224 8 L C 2.055 178.967 176.870 0.069 0.000 1.145 8 L CA 0.425 55.310 54.840 0.075 0.000 0.834 8 L CB -1.285 40.818 42.059 0.074 0.000 0.944 8 L HN 0.638 nan 8.230 nan 0.000 0.451 9 G N 0.945 109.778 108.800 0.056 0.000 2.574 9 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.301 9 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.301 9 G C 0.138 175.075 174.900 0.062 0.000 1.166 9 G CA 0.070 45.202 45.100 0.053 0.000 0.971 9 G HN 0.152 nan 8.290 nan 0.000 0.542 10 I N 2.077 122.686 120.570 0.064 0.000 2.337 10 I HA 0.364 4.534 4.170 -0.000 0.000 0.285 10 I C 0.478 176.641 176.117 0.077 0.000 1.041 10 I CA -0.362 60.986 61.300 0.081 0.000 1.199 10 I CB 0.689 38.742 38.000 0.087 0.000 1.370 10 I HN 0.258 nan 8.210 nan 0.000 0.470 11 I N 6.534 127.147 120.570 0.071 0.000 2.519 11 I HA 0.248 4.418 4.170 -0.000 0.000 0.287 11 I C -0.062 176.090 176.117 0.058 0.000 1.047 11 I CA -0.372 60.961 61.300 0.055 0.000 1.381 11 I CB 1.596 39.621 38.000 0.042 0.000 1.417 11 I HN 0.252 nan 8.210 nan 0.000 0.540 12 V N 5.681 125.623 119.914 0.046 0.000 2.524 12 V HA 0.617 4.737 4.120 -0.000 0.000 0.297 12 V C 0.148 176.256 176.094 0.024 0.000 1.035 12 V CA -0.280 62.046 62.300 0.044 0.000 0.867 12 V CB 1.470 33.333 31.823 0.068 0.000 1.004 12 V HN 0.858 nan 8.190 nan 0.000 0.426 13 G N 6.656 115.460 108.800 0.007 0.000 2.406 13 G HA2 0.563 4.523 3.960 -0.000 0.000 0.251 13 G HA3 0.563 4.523 3.960 -0.000 0.000 0.251 13 G C -0.641 174.260 174.900 0.001 0.000 1.271 13 G CA -0.300 44.794 45.100 -0.009 0.000 0.859 13 G HN 0.807 nan 8.290 nan 0.000 0.540 14 I N 2.007 122.583 120.570 0.009 0.000 2.608 14 I HA 0.449 4.619 4.170 -0.000 0.000 0.295 14 I C -0.901 175.261 176.117 0.075 0.000 1.049 14 I CA -0.800 60.537 61.300 0.061 0.000 1.063 14 I CB 2.460 40.527 38.000 0.112 0.000 1.248 14 I HN 0.682 nan 8.210 nan 0.000 0.424 15 D N 2.826 123.285 120.400 0.097 0.000 2.768 15 D HA 0.128 4.768 4.640 -0.000 0.000 0.327 15 D C -1.113 175.272 176.300 0.142 0.000 1.302 15 D CA -0.556 53.529 54.000 0.141 0.000 0.897 15 D CB 0.950 41.776 40.800 0.045 0.000 1.420 15 D HN 0.256 nan 8.370 nan 0.000 0.494 16 D N -0.171 120.338 120.400 0.181 0.000 2.551 16 D HA 0.379 5.019 4.640 -0.000 0.000 0.223 16 D C -0.948 175.417 176.300 0.108 0.000 1.144 16 D CA 0.214 54.308 54.000 0.156 0.000 1.025 16 D CB -0.665 40.287 40.800 0.253 0.000 1.085 16 D HN 0.534 nan 8.370 nan 0.000 0.506 17 S N 1.466 117.212 115.700 0.077 0.000 2.537 17 S HA 0.441 4.911 4.470 -0.000 0.000 0.271 17 S C -2.340 172.287 174.600 0.045 0.000 1.148 17 S CA -1.117 57.119 58.200 0.059 0.000 0.868 17 S CB 1.994 65.225 63.200 0.050 0.000 1.115 17 S HN -0.096 nan 8.310 nan 0.000 0.461 18 P HA -0.086 nan 4.420 nan 0.000 0.215 18 P C 1.744 179.062 177.300 0.030 0.000 1.157 18 P CA 2.313 65.435 63.100 0.036 0.000 0.874 18 P CB -0.185 31.536 31.700 0.036 0.000 0.790 19 A N 0.042 122.875 122.820 0.021 0.000 1.892 19 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 19 A C 2.367 179.950 177.584 -0.001 0.000 1.188 19 A CA 2.461 54.499 52.037 0.002 0.000 0.631 19 A CB -1.664 17.325 19.000 -0.019 0.000 0.822 19 A HN 0.216 nan 8.150 nan 0.000 0.447 20 A N -0.927 121.899 122.820 0.009 0.000 1.933 20 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 20 A C 2.197 179.800 177.584 0.031 0.000 1.175 20 A CA 1.862 53.909 52.037 0.016 0.000 0.628 20 A CB -0.561 18.456 19.000 0.028 0.000 0.814 20 A HN 0.714 nan 8.150 nan 0.000 0.444 21 Q N -0.371 119.450 119.800 0.035 0.000 2.020 21 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 21 Q C 1.998 178.027 176.000 0.049 0.000 0.982 21 Q CA 2.198 58.025 55.803 0.040 0.000 0.838 21 Q CB -0.333 28.427 28.738 0.037 0.000 0.899 21 Q HN 0.496 nan 8.270 nan 0.000 0.423 22 V N 0.414 120.358 119.914 0.049 0.000 2.759 22 V HA -0.102 4.018 4.120 -0.000 0.000 0.256 22 V C 1.950 178.099 176.094 0.092 0.000 1.080 22 V CA 1.787 64.128 62.300 0.068 0.000 1.101 22 V CB -0.569 31.290 31.823 0.061 0.000 0.698 22 V HN 0.498 nan 8.190 nan 0.000 0.477 23 A N -0.304 122.551 122.820 0.059 0.000 1.930 23 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 23 A C 2.314 179.979 177.584 0.134 0.000 1.175 23 A CA 2.003 54.080 52.037 0.066 0.000 0.627 23 A CB -0.644 18.358 19.000 0.003 0.000 0.815 23 A HN 0.474 nan 8.150 nan 0.000 0.443 24 V N -0.248 119.724 119.914 0.098 0.000 2.358 24 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 24 V C 2.587 178.742 176.094 0.101 0.000 1.047 24 V CA 2.187 64.542 62.300 0.092 0.000 1.035 24 V CB -0.799 31.059 31.823 0.057 0.000 0.658 24 V HN 0.523 nan 8.190 nan 0.000 0.452 25 R N -1.353 119.207 120.500 0.100 0.000 2.096 25 R HA -0.265 4.075 4.340 -0.000 0.000 0.240 25 R C 2.090 178.455 176.300 0.109 0.000 1.139 25 R CA 2.557 58.709 56.100 0.086 0.000 0.952 25 R CB -0.460 29.892 30.300 0.085 0.000 0.854 25 R HN 0.673 nan 8.270 nan 0.000 0.436 26 W N 0.507 121.808 121.300 0.002 0.000 2.379 26 W HA -0.142 4.518 4.660 -0.000 0.000 0.307 26 W C 2.231 178.751 176.519 0.001 0.000 1.200 26 W CA 1.767 59.113 57.345 0.003 0.000 1.297 26 W CB -0.262 29.198 29.460 -0.001 0.000 1.140 26 W HN 0.131 nan 8.180 nan 0.000 0.507 27 A N 0.377 123.406 122.820 0.349 0.000 1.972 27 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 27 A C 2.006 179.595 177.584 0.007 0.000 1.169 27 A CA 2.223 54.396 52.037 0.226 0.000 0.635 27 A CB -1.401 17.733 19.000 0.224 0.000 0.810 27 A HN 0.364 nan 8.150 nan 0.000 0.446 28 A N -0.156 122.661 122.820 -0.006 0.000 1.855 28 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 28 A C 2.230 179.745 177.584 -0.116 0.000 1.191 28 A CA 1.385 53.395 52.037 -0.044 0.000 0.613 28 A CB -0.476 18.510 19.000 -0.024 0.000 0.829 28 A HN 0.401 nan 8.150 nan 0.000 0.442 29 R N 0.016 120.409 120.500 -0.178 0.000 2.096 29 R HA -0.156 4.184 4.340 -0.000 0.000 0.240 29 R C 1.859 177.979 176.300 -0.300 0.000 1.139 29 R CA 1.629 57.584 56.100 -0.242 0.000 0.952 29 R CB -1.012 29.111 30.300 -0.295 0.000 0.854 29 R HN 0.684 nan 8.270 nan 0.000 0.436 30 D N 0.162 120.286 120.400 -0.459 0.000 2.144 30 D HA -0.062 4.578 4.640 -0.000 0.000 0.200 30 D C 1.632 177.810 176.300 -0.204 0.000 0.978 30 D CA 1.173 54.908 54.000 -0.443 0.000 0.833 30 D CB 0.254 40.610 40.800 -0.739 0.000 0.961 30 D HN 0.172 nan 8.370 nan 0.000 0.470 31 A N 0.980 123.716 122.820 -0.140 0.000 1.898 31 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 31 A C 2.110 179.656 177.584 -0.062 0.000 1.181 31 A CA 1.597 53.596 52.037 -0.064 0.000 0.620 31 A CB -0.515 18.468 19.000 -0.029 0.000 0.819 31 A HN 0.335 nan 8.150 nan 0.000 0.442 32 E N -0.492 119.659 120.200 -0.082 0.000 2.031 32 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 32 E C 1.960 178.518 176.600 -0.069 0.000 0.994 32 E CA 1.056 57.413 56.400 -0.072 0.000 0.800 32 E CB -0.186 29.461 29.700 -0.088 0.000 0.752 32 E HN 0.389 nan 8.360 nan 0.000 0.447 33 L N 1.290 122.457 121.223 -0.094 0.000 2.042 33 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 33 L C 2.400 179.245 176.870 -0.042 0.000 1.076 33 L CA 1.827 56.624 54.840 -0.072 0.000 0.749 33 L CB -0.697 41.302 42.059 -0.101 0.000 0.893 33 L HN 0.180 nan 8.230 nan 0.000 0.432 34 R N 0.002 120.475 120.500 -0.045 0.000 2.297 34 R HA -0.038 4.302 4.340 -0.000 0.000 0.197 34 R C 0.154 176.450 176.300 -0.007 0.000 0.943 34 R CA 0.025 56.117 56.100 -0.015 0.000 1.038 34 R CB 0.207 30.501 30.300 -0.009 0.000 0.957 34 R HN 0.201 nan 8.270 nan 0.000 0.484 35 K N 0.802 121.191 120.400 -0.018 0.000 3.244 35 K HA -0.169 4.151 4.320 -0.000 0.000 0.270 35 K C -0.679 175.919 176.600 -0.004 0.000 1.016 35 K CA 0.933 57.213 56.287 -0.012 0.000 0.754 35 K CB -1.627 30.868 32.500 -0.007 0.000 1.326 35 K HN 0.429 nan 8.250 nan 0.000 0.465 36 I N -4.934 115.634 120.570 -0.003 0.000 3.174 36 I HA 0.645 4.814 4.170 -0.000 0.000 0.313 36 I C -2.664 173.459 176.117 0.010 0.000 1.155 36 I CA -3.401 57.904 61.300 0.007 0.000 0.977 36 I CB 2.076 40.086 38.000 0.017 0.000 1.248 36 I HN -0.288 nan 8.210 nan 0.000 0.453 37 P HA 0.121 nan 4.420 nan 0.000 0.267 37 P C -0.962 176.363 177.300 0.041 0.000 1.200 37 P CA 0.023 63.140 63.100 0.029 0.000 0.772 37 P CB 0.437 32.159 31.700 0.037 0.000 0.855 38 L N 3.336 124.588 121.223 0.049 0.000 2.366 38 L HA 0.368 4.708 4.340 -0.000 0.000 0.266 38 L C -0.631 176.285 176.870 0.077 0.000 1.010 38 L CA 0.073 54.945 54.840 0.054 0.000 0.879 38 L CB 0.467 42.547 42.059 0.034 0.000 1.228 38 L HN 0.189 nan 8.230 nan 0.000 0.439 39 T N 5.723 120.324 114.554 0.078 0.000 2.780 39 T HA 0.518 4.868 4.350 -0.000 0.000 0.294 39 T C -0.279 174.433 174.700 0.020 0.000 0.949 39 T CA -0.089 62.048 62.100 0.061 0.000 1.074 39 T CB 0.634 69.533 68.868 0.052 0.000 0.910 39 T HN 0.270 nan 8.240 nan 0.000 0.501 40 L N 4.471 125.689 121.223 -0.009 0.000 2.280 40 L HA 0.524 4.864 4.340 -0.000 0.000 0.287 40 L C -0.291 176.561 176.870 -0.029 0.000 1.023 40 L CA -0.368 54.469 54.840 -0.005 0.000 0.819 40 L CB 1.477 43.540 42.059 0.006 0.000 1.212 40 L HN 0.401 nan 8.230 nan 0.000 0.420 41 V N 2.818 122.729 119.914 -0.004 0.000 2.555 41 V HA 0.479 4.599 4.120 -0.000 0.000 0.302 41 V C -0.661 175.466 176.094 0.056 0.000 1.038 41 V CA -0.698 61.602 62.300 0.001 0.000 0.887 41 V CB 1.775 33.587 31.823 -0.017 0.000 0.991 41 V HN 0.686 nan 8.190 nan 0.000 0.434 42 H N 3.472 122.524 119.070 -0.030 0.000 2.744 42 H HA 0.740 5.296 4.556 -0.000 0.000 0.339 42 H C -0.682 174.641 175.328 -0.008 0.000 1.004 42 H CA -0.275 55.764 56.048 -0.014 0.000 1.257 42 H CB 1.921 31.674 29.762 -0.016 0.000 1.552 42 H HN 0.800 nan 8.280 nan 0.000 0.522 43 A N 4.461 127.159 122.820 -0.203 0.000 2.312 43 A HA 0.606 4.926 4.320 -0.000 0.000 0.326 43 A C -0.844 176.727 177.584 -0.022 0.000 1.172 43 A CA -0.578 51.424 52.037 -0.059 0.000 0.821 43 A CB 1.013 19.966 19.000 -0.078 0.000 1.166 43 A HN 0.391 nan 8.150 nan 0.000 0.493 44 V N 1.922 121.883 119.914 0.079 0.000 2.488 44 V HA 0.325 4.445 4.120 -0.000 0.000 0.293 44 V C 0.274 176.404 176.094 0.060 0.000 1.027 44 V CA -0.539 61.822 62.300 0.101 0.000 0.862 44 V CB 1.499 33.417 31.823 0.158 0.000 1.008 44 V HN 0.928 nan 8.190 nan 0.000 0.428 45 S N 6.460 122.185 115.700 0.042 0.000 2.481 45 S HA 0.407 4.877 4.470 -0.000 0.000 0.276 45 S C -1.232 173.390 174.600 0.037 0.000 1.247 45 S CA -0.837 57.381 58.200 0.030 0.000 1.053 45 S CB 0.964 64.174 63.200 0.016 0.000 0.925 45 S HN 0.717 nan 8.310 nan 0.000 0.491 46 P HA 0.297 nan 4.420 nan 0.000 0.263 46 P C -0.301 177.016 177.300 0.028 0.000 1.448 46 P CA -0.170 62.951 63.100 0.036 0.000 0.983 46 P CB 0.247 31.968 31.700 0.034 0.000 1.481 47 E N 0.207 120.421 120.200 0.024 0.000 2.349 47 E HA 0.175 4.525 4.350 -0.000 0.000 0.265 47 E C -0.024 176.588 176.600 0.021 0.000 1.064 47 E CA -0.795 55.618 56.400 0.021 0.000 0.886 47 E CB 1.699 31.409 29.700 0.017 0.000 1.036 47 E HN -0.133 nan 8.360 nan 0.000 0.413 48 V N 2.114 122.042 119.914 0.023 0.000 2.450 48 V HA 0.065 4.184 4.120 -0.000 0.000 0.281 48 V C 0.959 177.066 176.094 0.021 0.000 1.019 48 V CA 0.685 63.000 62.300 0.025 0.000 1.062 48 V CB 0.495 32.338 31.823 0.034 0.000 0.979 48 V HN 0.769 nan 8.190 nan 0.000 0.477 49 A N 3.989 126.813 122.820 0.007 0.000 2.508 49 A HA 0.449 4.769 4.320 -0.000 0.000 0.257 49 A C 0.866 178.424 177.584 -0.043 0.000 1.226 49 A CA 0.456 52.485 52.037 -0.013 0.000 0.947 49 A CB 0.189 19.177 19.000 -0.020 0.000 1.079 49 A HN 0.807 nan 8.150 nan 0.000 0.531 50 T N -5.048 109.493 114.554 -0.022 0.000 2.916 50 T HA 0.524 4.874 4.350 -0.000 0.000 0.292 50 T C -0.688 174.060 174.700 0.080 0.000 1.064 50 T CA -0.809 61.258 62.100 -0.055 0.000 1.011 50 T CB 0.747 69.583 68.868 -0.054 0.000 1.152 50 T HN 0.197 nan 8.240 nan 0.000 0.510 51 W N 2.843 124.140 121.300 -0.005 0.000 2.343 51 W HA 0.151 4.811 4.660 -0.000 0.000 0.337 51 W C 1.923 178.439 176.519 -0.004 0.000 1.320 51 W CA -1.322 56.021 57.345 -0.004 0.000 1.290 51 W CB -0.741 28.716 29.460 -0.005 0.000 1.206 51 W HN 0.860 nan 8.180 nan 0.000 0.565 52 L N 1.405 122.755 121.223 0.213 0.000 2.127 52 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 52 L C 2.018 178.941 176.870 0.088 0.000 1.089 52 L CA 2.015 56.922 54.840 0.111 0.000 0.757 52 L CB -0.716 41.384 42.059 0.068 0.000 0.899 52 L HN 0.391 nan 8.230 nan 0.000 0.434 53 E N 1.258 121.513 120.200 0.092 0.000 2.478 53 E HA -0.024 4.326 4.350 -0.000 0.000 0.198 53 E C 0.325 176.975 176.600 0.084 0.000 1.046 53 E CA 0.522 56.960 56.400 0.063 0.000 0.870 53 E CB -0.150 29.568 29.700 0.029 0.000 0.818 53 E HN 0.505 nan 8.360 nan 0.000 0.527 54 V N 2.603 122.588 119.914 0.119 0.000 2.467 54 V HA 0.233 4.353 4.120 -0.000 0.000 0.260 54 V C -2.460 173.674 176.094 0.066 0.000 0.963 54 V CA -1.580 60.775 62.300 0.091 0.000 0.856 54 V CB 1.013 32.904 31.823 0.113 0.000 1.087 54 V HN 0.001 nan 8.190 nan 0.000 0.467 55 P HA 0.385 nan 4.420 nan 0.000 0.277 55 P C -0.630 176.679 177.300 0.016 0.000 1.276 55 P CA -0.340 62.781 63.100 0.033 0.000 0.788 55 P CB 0.768 32.486 31.700 0.029 0.000 1.114 56 L N 0.317 121.546 121.223 0.010 0.000 2.344 56 L HA 0.518 4.858 4.340 -0.000 0.000 0.272 56 L C -1.981 174.890 176.870 0.002 0.000 1.035 56 L CA -1.697 53.142 54.840 -0.001 0.000 0.807 56 L CB -0.561 41.497 42.059 -0.002 0.000 1.237 56 L HN 0.283 nan 8.230 nan 0.000 0.442 57 P HA 0.152 nan 4.420 nan 0.000 0.269 57 P C -2.112 175.193 177.300 0.009 0.000 1.215 57 P CA -0.870 62.228 63.100 -0.003 0.000 0.780 57 P CB 0.016 31.706 31.700 -0.018 0.000 0.898 58 P HA -0.009 nan 4.420 nan 0.000 0.222 58 P C 1.252 178.575 177.300 0.038 0.000 1.153 58 P CA 1.048 64.164 63.100 0.026 0.000 0.798 58 P CB -0.064 31.650 31.700 0.023 0.000 0.796 59 G N -0.371 108.450 108.800 0.034 0.000 2.956 59 G HA2 -0.041 3.918 3.960 -0.000 0.000 0.207 59 G HA3 -0.041 3.918 3.960 -0.000 0.000 0.207 59 G C 1.243 176.194 174.900 0.084 0.000 1.162 59 G CA 0.050 45.182 45.100 0.055 0.000 0.796 59 G HN 0.253 nan 8.290 nan 0.000 0.527 60 V N -0.301 119.655 119.914 0.071 0.000 2.795 60 V HA 0.250 4.369 4.120 -0.000 0.000 0.243 60 V C 2.447 178.644 176.094 0.171 0.000 1.069 60 V CA 0.527 62.883 62.300 0.093 0.000 1.089 60 V CB 0.134 31.966 31.823 0.015 0.000 0.756 60 V HN 0.369 nan 8.190 nan 0.000 0.471 61 L N -0.073 121.221 121.223 0.119 0.000 2.141 61 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 61 L C 2.693 179.638 176.870 0.125 0.000 1.094 61 L CA 1.559 56.467 54.840 0.114 0.000 0.763 61 L CB -0.313 41.791 42.059 0.074 0.000 0.908 61 L HN 0.230 nan 8.230 nan 0.000 0.437 62 R N -1.055 119.521 120.500 0.127 0.000 2.115 62 R HA -0.226 4.114 4.340 -0.000 0.000 0.226 62 R C 2.114 178.497 176.300 0.139 0.000 1.100 62 R CA 1.571 57.735 56.100 0.108 0.000 0.980 62 R CB -0.404 29.951 30.300 0.093 0.000 0.875 62 R HN 0.496 nan 8.270 nan 0.000 0.445 63 W N 1.946 123.260 121.300 0.023 0.000 2.363 63 W HA -0.197 4.463 4.660 -0.000 0.000 0.296 63 W C 1.840 178.391 176.519 0.054 0.000 1.212 63 W CA 1.472 58.836 57.345 0.031 0.000 1.260 63 W CB 0.021 29.487 29.460 0.011 0.000 1.131 63 W HN 0.141 nan 8.180 nan 0.000 0.530 64 Q N -0.451 119.469 119.800 0.200 0.000 2.119 64 Q HA -0.245 4.095 4.340 -0.000 0.000 0.201 64 Q C 2.352 178.312 176.000 -0.067 0.000 0.972 64 Q CA 1.497 57.331 55.803 0.052 0.000 0.847 64 Q CB -0.382 28.471 28.738 0.192 0.000 0.903 64 Q HN 0.364 nan 8.270 nan 0.000 0.433 65 Q N 0.738 120.519 119.800 -0.032 0.000 2.050 65 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 65 Q C 1.538 177.458 176.000 -0.133 0.000 0.980 65 Q CA 1.242 57.008 55.803 -0.061 0.000 0.840 65 Q CB -0.224 28.502 28.738 -0.020 0.000 0.898 65 Q HN 0.449 nan 8.270 nan 0.000 0.424 66 D N -0.251 120.051 120.400 -0.163 0.000 2.117 66 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 66 D C 1.899 178.037 176.300 -0.270 0.000 0.982 66 D CA 1.183 55.070 54.000 -0.188 0.000 0.828 66 D CB -0.346 40.352 40.800 -0.170 0.000 0.967 66 D HN 0.393 nan 8.370 nan 0.000 0.464 67 H N 0.349 119.065 119.070 -0.591 0.000 2.321 67 H HA -0.051 4.504 4.556 -0.000 0.000 0.300 67 H C 2.120 177.211 175.328 -0.395 0.000 1.087 67 H CA 2.312 57.989 56.048 -0.619 0.000 1.319 67 H CB -0.423 28.725 29.762 -1.023 0.000 1.379 67 H HN 0.125 nan 8.280 nan 0.000 0.501 68 G N 0.221 108.801 108.800 -0.366 0.000 2.446 68 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.217 68 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.217 68 G C 1.836 176.487 174.900 -0.415 0.000 1.168 68 G CA 0.679 45.421 45.100 -0.597 0.000 0.771 68 G HN 0.378 nan 8.290 nan 0.000 0.551 69 R N -0.763 119.580 120.500 -0.262 0.000 2.115 69 R HA -0.087 4.253 4.340 -0.000 0.000 0.230 69 R C 2.238 178.422 176.300 -0.192 0.000 1.111 69 R CA 1.009 56.995 56.100 -0.191 0.000 0.976 69 R CB -0.392 29.822 30.300 -0.142 0.000 0.870 69 R HN 0.414 nan 8.270 nan 0.000 0.445 70 H N -0.097 118.805 119.070 -0.280 0.000 2.462 70 H HA -0.061 4.495 4.556 -0.000 0.000 0.292 70 H C 1.704 176.874 175.328 -0.262 0.000 1.049 70 H CA 0.979 56.874 56.048 -0.255 0.000 1.334 70 H CB 0.456 30.047 29.762 -0.286 0.000 1.404 70 H HN 0.083 nan 8.280 nan 0.000 0.544 71 L N 0.626 121.725 121.223 -0.208 0.000 1.993 71 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 71 L C 2.606 179.411 176.870 -0.109 0.000 1.074 71 L CA 0.940 55.673 54.840 -0.178 0.000 0.746 71 L CB -1.067 40.848 42.059 -0.240 0.000 0.896 71 L HN 0.218 nan 8.230 nan 0.000 0.435 72 I N 0.049 120.540 120.570 -0.131 0.000 2.236 72 I HA -0.356 3.813 4.170 -0.000 0.000 0.249 72 I C 2.284 178.353 176.117 -0.080 0.000 1.102 72 I CA 1.607 62.857 61.300 -0.083 0.000 1.365 72 I CB -1.072 36.874 38.000 -0.091 0.000 1.051 72 I HN 0.405 nan 8.210 nan 0.000 0.420 73 D N 1.088 121.417 120.400 -0.118 0.000 2.087 73 D HA -0.216 4.424 4.640 -0.000 0.000 0.192 73 D C 1.867 178.117 176.300 -0.084 0.000 0.993 73 D CA 1.632 55.554 54.000 -0.130 0.000 0.828 73 D CB -0.084 40.571 40.800 -0.242 0.000 0.968 73 D HN 0.255 nan 8.370 nan 0.000 0.448 74 D N -0.439 119.925 120.400 -0.060 0.000 2.144 74 D HA -0.116 4.524 4.640 -0.000 0.000 0.199 74 D C 1.919 178.210 176.300 -0.015 0.000 0.984 74 D CA 1.177 55.163 54.000 -0.023 0.000 0.834 74 D CB -0.163 40.639 40.800 0.005 0.000 0.955 74 D HN 0.288 nan 8.370 nan 0.000 0.465 75 A N 1.106 123.916 122.820 -0.017 0.000 1.883 75 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 75 A C 2.400 179.981 177.584 -0.004 0.000 1.186 75 A CA 0.961 52.996 52.037 -0.002 0.000 0.624 75 A CB -0.861 18.141 19.000 0.003 0.000 0.822 75 A HN 0.210 nan 8.150 nan 0.000 0.444 76 L N -0.873 120.340 121.223 -0.016 0.000 2.191 76 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 76 L C 2.517 179.378 176.870 -0.015 0.000 1.103 76 L CA 1.452 56.284 54.840 -0.015 0.000 0.769 76 L CB -0.359 41.686 42.059 -0.023 0.000 0.908 76 L HN 0.397 nan 8.230 nan 0.000 0.438 77 K N -0.578 119.811 120.400 -0.018 0.000 2.103 77 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 77 K C 2.040 178.635 176.600 -0.007 0.000 1.052 77 K CA 0.915 57.193 56.287 -0.015 0.000 0.945 77 K CB -0.073 32.417 32.500 -0.016 0.000 0.722 77 K HN 0.108 nan 8.250 nan 0.000 0.443 78 V N 1.149 121.062 119.914 -0.001 0.000 2.427 78 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 78 V C 2.189 178.285 176.094 0.003 0.000 1.051 78 V CA 1.285 63.589 62.300 0.006 0.000 1.048 78 V CB -0.201 31.631 31.823 0.015 0.000 0.666 78 V HN 0.062 nan 8.190 nan 0.000 0.456 79 V N 0.010 119.925 119.914 0.002 0.000 2.568 79 V HA -0.307 3.812 4.120 -0.000 0.000 0.253 79 V C 2.347 178.434 176.094 -0.012 0.000 1.072 79 V CA 2.296 64.594 62.300 -0.002 0.000 1.084 79 V CB -0.547 31.276 31.823 0.000 0.000 0.676 79 V HN 0.664 nan 8.190 nan 0.000 0.469 80 E N -0.040 120.153 120.200 -0.012 0.000 2.033 80 E HA -0.211 4.139 4.350 -0.000 0.000 0.189 80 E C 2.317 178.906 176.600 -0.019 0.000 0.979 80 E CA 0.971 57.361 56.400 -0.016 0.000 0.802 80 E CB -0.064 29.627 29.700 -0.015 0.000 0.763 80 E HN 0.697 nan 8.360 nan 0.000 0.449 81 Q N 0.016 119.808 119.800 -0.013 0.000 2.234 81 Q HA -0.153 4.187 4.340 -0.000 0.000 0.206 81 Q C 2.004 177.993 176.000 -0.018 0.000 0.980 81 Q CA 1.298 57.094 55.803 -0.012 0.000 0.869 81 Q CB -0.108 28.628 28.738 -0.003 0.000 0.912 81 Q HN 0.263 nan 8.270 nan 0.000 0.436 82 A N 0.809 123.617 122.820 -0.020 0.000 1.930 82 A HA 0.002 4.322 4.320 -0.000 0.000 0.215 82 A C 1.216 178.765 177.584 -0.059 0.000 1.176 82 A CA 0.103 52.121 52.037 -0.030 0.000 0.632 82 A CB -0.016 18.972 19.000 -0.020 0.000 0.819 82 A HN 0.193 nan 8.150 nan 0.000 0.445 83 S N 1.184 116.850 115.700 -0.057 0.000 2.546 83 S HA 0.141 4.611 4.470 -0.000 0.000 0.290 83 S C 1.110 175.654 174.600 -0.093 0.000 1.290 83 S CA -0.405 57.751 58.200 -0.074 0.000 1.069 83 S CB 0.593 63.761 63.200 -0.054 0.000 0.846 83 S HN 0.274 nan 8.310 nan 0.000 0.495 84 L N 3.072 124.214 121.223 -0.134 0.000 2.044 84 L HA -0.028 4.312 4.340 -0.000 0.000 0.205 84 L C 2.215 179.022 176.870 -0.105 0.000 1.075 84 L CA 1.801 56.540 54.840 -0.168 0.000 0.747 84 L CB -1.089 40.805 42.059 -0.275 0.000 0.903 84 L HN 0.775 nan 8.230 nan 0.000 0.435 85 R N -1.902 118.548 120.500 -0.083 0.000 5.328 85 R HA 0.276 4.616 4.340 -0.000 0.000 0.106 85 R C 1.899 178.173 176.300 -0.044 0.000 1.206 85 R CA 0.680 56.747 56.100 -0.055 0.000 0.839 85 R CB -0.573 29.699 30.300 -0.045 0.000 1.258 85 R HN -0.118 nan 8.270 nan 0.000 0.391 86 A N 1.652 124.447 122.820 -0.041 0.000 1.883 86 A HA 0.266 4.586 4.320 -0.000 0.000 0.217 86 A C 1.291 178.855 177.584 -0.034 0.000 1.186 86 A CA 2.463 54.481 52.037 -0.033 0.000 0.624 86 A CB -1.224 17.759 19.000 -0.029 0.000 0.822 86 A HN 1.222 nan 8.150 nan 0.000 0.444 87 G N -1.984 106.791 108.800 -0.042 0.000 2.730 87 G HA2 0.017 3.977 3.960 -0.000 0.000 0.686 87 G HA3 0.017 3.977 3.960 -0.000 0.000 0.686 87 G C -2.850 172.030 174.900 -0.033 0.000 1.343 87 G CA -0.399 44.678 45.100 -0.039 0.000 0.826 87 G HN 0.522 nan 8.290 nan 0.000 0.582 88 P HA 0.222 nan 4.420 nan 0.000 0.269 88 P C -1.746 175.546 177.300 -0.015 0.000 1.209 88 P CA -0.923 62.164 63.100 -0.022 0.000 0.776 88 P CB 0.427 32.119 31.700 -0.014 0.000 0.876 89 P HA -0.105 nan 4.420 nan 0.000 0.210 89 P C 0.281 177.574 177.300 -0.012 0.000 1.185 89 P CA 1.732 64.824 63.100 -0.012 0.000 0.924 89 P CB -0.343 31.351 31.700 -0.011 0.000 0.786 90 T N 0.080 114.629 114.554 -0.008 0.000 2.875 90 T HA 0.417 4.767 4.350 -0.000 0.000 0.284 90 T C -0.313 174.396 174.700 0.015 0.000 0.995 90 T CA -0.415 61.680 62.100 -0.009 0.000 1.060 90 T CB 1.324 70.180 68.868 -0.021 0.000 0.967 90 T HN -0.348 nan 8.240 nan 0.000 0.476 91 V N 3.703 123.632 119.914 0.024 0.000 2.327 91 V HA 0.265 4.385 4.120 -0.000 0.000 0.272 91 V C -0.248 175.912 176.094 0.109 0.000 1.019 91 V CA -0.767 61.564 62.300 0.052 0.000 0.814 91 V CB 0.214 32.053 31.823 0.027 0.000 1.040 91 V HN 0.901 nan 8.190 nan 0.000 0.440 92 H N 2.141 121.212 119.070 0.002 0.000 2.483 92 H HA 0.728 5.283 4.556 -0.000 0.000 0.338 92 H C -0.399 174.933 175.328 0.006 0.000 1.152 92 H CA -0.250 55.800 56.048 0.003 0.000 1.264 92 H CB 1.726 31.492 29.762 0.007 0.000 1.510 92 H HN 0.605 nan 8.280 nan 0.000 0.530 93 S N 2.873 118.559 115.700 -0.023 0.000 2.546 93 S HA 0.294 4.764 4.470 -0.000 0.000 0.272 93 S C -1.568 172.928 174.600 -0.172 0.000 1.140 93 S CA -0.720 57.427 58.200 -0.088 0.000 0.920 93 S CB 1.707 64.906 63.200 -0.002 0.000 1.083 93 S HN 0.819 nan 8.310 nan 0.000 0.476 94 E N 3.097 123.212 120.200 -0.142 0.000 2.372 94 E HA 0.527 4.877 4.350 -0.000 0.000 0.279 94 E C -1.613 174.965 176.600 -0.037 0.000 0.946 94 E CA -0.559 55.770 56.400 -0.119 0.000 0.769 94 E CB 1.501 31.087 29.700 -0.190 0.000 1.230 94 E HN 0.667 nan 8.360 nan 0.000 0.442 95 I N 4.010 124.571 120.570 -0.016 0.000 2.464 95 I HA 0.267 4.437 4.170 -0.000 0.000 0.277 95 I C -0.715 175.424 176.117 0.036 0.000 1.040 95 I CA -0.850 60.469 61.300 0.031 0.000 1.153 95 I CB 1.425 39.423 38.000 -0.004 0.000 1.274 95 I HN 0.221 nan 8.210 nan 0.000 0.469 96 V N 7.994 127.935 119.914 0.046 0.000 2.498 96 V HA 0.226 4.346 4.120 -0.000 0.000 0.279 96 V C -1.799 174.320 176.094 0.042 0.000 1.048 96 V CA -1.325 60.993 62.300 0.029 0.000 0.967 96 V CB 1.055 32.885 31.823 0.012 0.000 0.988 96 V HN 0.544 nan 8.190 nan 0.000 0.473 97 P HA 0.456 nan 4.420 nan 0.000 0.219 97 P C -0.503 176.812 177.300 0.026 0.000 1.832 97 P CA 0.229 63.350 63.100 0.036 0.000 1.014 97 P CB 0.548 32.266 31.700 0.030 0.000 1.939 98 A N 0.958 123.791 122.820 0.022 0.000 2.581 98 A HA 0.746 5.066 4.320 -0.000 0.000 0.290 98 A C -0.959 176.627 177.584 0.003 0.000 1.119 98 A CA -0.739 51.305 52.037 0.011 0.000 0.670 98 A CB 0.851 19.855 19.000 0.006 0.000 1.280 98 A HN 0.246 nan 8.150 nan 0.000 0.425 99 A N -0.017 122.800 122.820 -0.004 0.000 2.477 99 A HA 0.548 4.868 4.320 -0.000 0.000 0.246 99 A C 1.452 179.020 177.584 -0.026 0.000 1.078 99 A CA 0.539 52.568 52.037 -0.015 0.000 0.770 99 A CB -0.177 18.813 19.000 -0.016 0.000 1.011 99 A HN 2.311 nan 8.150 nan 0.000 0.494 100 A N 2.669 125.465 122.820 -0.040 0.000 1.873 100 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 100 A C 2.005 179.566 177.584 -0.038 0.000 1.193 100 A CA 2.302 54.308 52.037 -0.053 0.000 0.629 100 A CB -1.020 17.937 19.000 -0.071 0.000 0.826 100 A HN 0.911 nan 8.150 nan 0.000 0.447 101 V N 0.400 120.292 119.914 -0.037 0.000 2.244 101 V HA -0.141 3.979 4.120 -0.000 0.000 0.244 101 V C -0.088 175.986 176.094 -0.033 0.000 1.042 101 V CA 2.379 64.657 62.300 -0.037 0.000 1.006 101 V CB -1.605 30.186 31.823 -0.052 0.000 0.641 101 V HN 0.377 nan 8.190 nan 0.000 0.446 102 P HA -0.181 nan 4.420 nan 0.000 0.216 102 P C 1.954 179.251 177.300 -0.005 0.000 1.150 102 P CA 2.210 65.294 63.100 -0.027 0.000 0.843 102 P CB -0.169 31.515 31.700 -0.027 0.000 0.787 103 T N -1.489 113.060 114.554 -0.007 0.000 2.770 103 T HA -0.063 4.287 4.350 -0.000 0.000 0.263 103 T C 1.762 176.466 174.700 0.007 0.000 1.039 103 T CA 0.950 63.050 62.100 -0.001 0.000 1.142 103 T CB -0.827 68.037 68.868 -0.006 0.000 0.868 103 T HN -0.085 nan 8.240 nan 0.000 0.435 104 L N 0.735 121.960 121.223 0.003 0.000 2.093 104 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 104 L C 2.800 179.694 176.870 0.040 0.000 1.085 104 L CA 0.783 55.630 54.840 0.013 0.000 0.755 104 L CB -0.463 41.595 42.059 -0.001 0.000 0.904 104 L HN 0.184 nan 8.230 nan 0.000 0.435 105 V N -0.074 119.869 119.914 0.048 0.000 2.343 105 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 105 V C 2.131 178.315 176.094 0.150 0.000 1.051 105 V CA 2.195 64.557 62.300 0.105 0.000 1.036 105 V CB -0.396 31.479 31.823 0.088 0.000 0.654 105 V HN 0.466 nan 8.190 nan 0.000 0.451 106 D N -0.579 119.870 120.400 0.081 0.000 2.117 106 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 106 D C 2.154 178.472 176.300 0.030 0.000 0.982 106 D CA 1.368 55.394 54.000 0.044 0.000 0.828 106 D CB -0.114 40.697 40.800 0.019 0.000 0.967 106 D HN 0.335 nan 8.370 nan 0.000 0.464 107 M N -0.142 119.479 119.600 0.036 0.000 2.394 107 M HA -0.079 4.400 4.480 -0.000 0.000 0.264 107 M C 2.024 178.352 176.300 0.046 0.000 1.073 107 M CA 0.917 56.236 55.300 0.031 0.000 1.111 107 M CB -0.065 32.549 32.600 0.024 0.000 1.401 107 M HN 0.084 nan 8.290 nan 0.000 0.448 108 S N 0.181 115.926 115.700 0.074 0.000 2.474 108 S HA -0.069 4.401 4.470 -0.000 0.000 0.235 108 S C 1.597 176.255 174.600 0.096 0.000 0.997 108 S CA 0.648 58.905 58.200 0.094 0.000 0.949 108 S CB -0.368 62.906 63.200 0.125 0.000 0.766 108 S HN 0.454 nan 8.310 nan 0.000 0.517 109 K N 1.051 121.481 120.400 0.049 0.000 2.280 109 K HA -0.013 4.307 4.320 -0.000 0.000 0.202 109 K C 0.320 176.924 176.600 0.007 0.000 1.047 109 K CA 1.269 57.544 56.287 -0.021 0.000 0.942 109 K CB -0.057 32.364 32.500 -0.132 0.000 0.739 109 K HN 0.444 nan 8.250 nan 0.000 0.457 110 D N -0.366 120.048 120.400 0.023 0.000 2.623 110 D HA 0.173 4.813 4.640 -0.000 0.000 0.252 110 D C -0.676 175.649 176.300 0.043 0.000 1.294 110 D CA 0.074 54.091 54.000 0.029 0.000 0.824 110 D CB 0.916 41.731 40.800 0.025 0.000 1.070 110 D HN 0.088 nan 8.370 nan 0.000 0.487 111 A N -0.197 122.654 122.820 0.052 0.000 2.354 111 A HA 0.555 4.875 4.320 -0.000 0.000 0.321 111 A C 1.044 178.665 177.584 0.062 0.000 1.125 111 A CA -0.491 51.581 52.037 0.058 0.000 0.799 111 A CB 1.613 20.650 19.000 0.061 0.000 1.293 111 A HN -0.056 nan 8.150 nan 0.000 0.452 112 V N 0.006 119.959 119.914 0.064 0.000 2.374 112 V HA 0.125 4.245 4.120 -0.000 0.000 0.241 112 V C 0.047 176.188 176.094 0.078 0.000 1.034 112 V CA 1.135 63.476 62.300 0.068 0.000 1.037 112 V CB -0.372 31.491 31.823 0.066 0.000 0.682 112 V HN 0.608 nan 8.190 nan 0.000 0.463 113 L N -0.226 121.050 121.223 0.088 0.000 2.388 113 L HA 0.646 4.986 4.340 -0.000 0.000 0.264 113 L C -0.662 176.259 176.870 0.086 0.000 0.998 113 L CA -0.415 54.485 54.840 0.100 0.000 0.817 113 L CB 1.774 43.931 42.059 0.163 0.000 1.338 113 L HN 0.192 nan 8.230 nan 0.000 0.414 114 M N 3.609 123.244 119.600 0.059 0.000 2.114 114 M HA 0.642 5.122 4.480 -0.000 0.000 0.332 114 M C -1.698 174.609 176.300 0.012 0.000 1.014 114 M CA -0.308 55.015 55.300 0.038 0.000 0.956 114 M CB 1.256 33.870 32.600 0.024 0.000 1.551 114 M HN 0.168 nan 8.290 nan 0.000 0.427 115 V N 6.537 126.466 119.914 0.025 0.000 2.409 115 V HA 0.846 4.965 4.120 -0.000 0.000 0.291 115 V C -0.696 175.380 176.094 -0.029 0.000 1.020 115 V CA -0.599 61.694 62.300 -0.010 0.000 0.848 115 V CB 1.470 33.347 31.823 0.090 0.000 0.990 115 V HN 0.787 nan 8.190 nan 0.000 0.430 116 V N 1.778 121.643 119.914 -0.082 0.000 3.114 116 V HA 0.986 5.105 4.120 -0.000 0.000 0.308 116 V C 0.409 176.432 176.094 -0.119 0.000 1.168 116 V CA -0.550 61.705 62.300 -0.075 0.000 1.015 116 V CB 1.535 33.319 31.823 -0.066 0.000 1.050 116 V HN 0.885 nan 8.190 nan 0.000 0.433 117 G N -0.591 108.154 108.800 -0.092 0.000 2.636 117 G HA2 0.312 4.272 3.960 -0.000 0.000 0.246 117 G HA3 0.312 4.272 3.960 -0.000 0.000 0.246 117 G C 1.007 175.823 174.900 -0.139 0.000 1.216 117 G CA 0.255 45.286 45.100 -0.115 0.000 0.854 117 G HN 1.812 nan 8.290 nan 0.000 0.572 118 C N 0.429 119.623 119.300 -0.175 0.000 2.518 118 C HA 0.489 4.949 4.460 -0.000 0.000 0.283 118 C C 0.823 175.767 174.990 -0.077 0.000 1.351 118 C CA -0.267 58.654 59.018 -0.161 0.000 1.745 118 C CB -1.302 26.291 27.740 -0.246 0.000 2.107 118 C HN 0.413 nan 8.230 nan 0.000 0.502 119 L N 1.062 122.255 121.223 -0.050 0.000 2.362 119 L HA 0.677 5.017 4.340 -0.000 0.000 0.271 119 L C 0.801 177.666 176.870 -0.008 0.000 1.002 119 L CA 0.141 54.966 54.840 -0.024 0.000 0.818 119 L CB 1.898 43.950 42.059 -0.012 0.000 1.298 119 L HN 0.425 nan 8.230 nan 0.000 0.420 120 G N -0.167 108.637 108.800 0.007 0.000 2.940 120 G HA2 0.278 4.238 3.960 -0.000 0.000 0.164 120 G HA3 0.278 4.238 3.960 -0.000 0.000 0.164 120 G C 0.821 175.750 174.900 0.049 0.000 1.326 120 G CA 0.439 45.552 45.100 0.022 0.000 1.020 120 G HN 0.613 nan 8.290 nan 0.000 0.586 121 S N -1.356 114.381 115.700 0.061 0.000 2.446 121 S HA 0.116 4.586 4.470 -0.000 0.000 0.225 121 S C 1.844 176.497 174.600 0.089 0.000 1.016 121 S CA 0.979 59.226 58.200 0.079 0.000 0.943 121 S CB 0.018 63.274 63.200 0.092 0.000 0.786 121 S HN 0.859 nan 8.310 nan 0.000 0.508 122 G N 2.916 111.772 108.800 0.092 0.000 3.562 122 G HA2 0.288 4.248 3.960 -0.000 0.000 0.279 122 G HA3 0.288 4.248 3.960 -0.000 0.000 0.279 122 G C 0.257 175.292 174.900 0.225 0.000 1.314 122 G CA -0.889 44.289 45.100 0.129 0.000 1.189 122 G HN 0.666 nan 8.290 nan 0.000 0.562 123 R N -0.372 120.244 120.500 0.194 0.000 2.532 123 R HA 0.705 5.045 4.340 -0.000 0.000 0.272 123 R C -0.661 175.851 176.300 0.355 0.000 1.032 123 R CA -0.858 55.354 56.100 0.187 0.000 1.089 123 R CB 1.158 31.500 30.300 0.070 0.000 1.098 123 R HN 0.245 nan 8.270 nan 0.000 0.526 124 W N -0.568 120.733 121.300 0.001 0.000 3.146 124 W HA 0.304 4.964 4.660 -0.000 0.000 0.319 124 W C -2.556 173.964 176.519 0.000 0.000 1.258 124 W CA -2.755 54.590 57.345 0.000 0.000 1.189 124 W CB -0.633 28.826 29.460 -0.003 0.000 1.412 124 W HN 0.392 nan 8.180 nan 0.000 0.567 125 P HA -0.284 nan 4.420 nan 0.000 0.229 125 P C 1.802 179.037 177.300 -0.109 0.000 1.147 125 P CA 3.891 67.012 63.100 0.036 0.000 0.949 125 P CB -0.510 31.258 31.700 0.115 0.000 0.786 126 G N -0.600 108.048 108.800 -0.254 0.000 2.414 126 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.215 126 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.215 126 G C 0.754 175.423 174.900 -0.385 0.000 1.188 126 G CA 0.228 45.122 45.100 -0.343 0.000 0.783 126 G HN 0.293 nan 8.290 nan 0.000 0.537 127 R N 0.149 120.293 120.500 -0.592 0.000 2.784 127 R HA 0.360 4.699 4.340 -0.000 0.000 0.266 127 R C 0.776 176.935 176.300 -0.235 0.000 1.044 127 R CA 0.450 56.295 56.100 -0.424 0.000 1.151 127 R CB 0.386 30.385 30.300 -0.502 0.000 1.037 127 R HN 0.397 nan 8.270 nan 0.000 0.478 128 L N -1.338 119.789 121.223 -0.161 0.000 3.386 128 L HA 0.471 4.811 4.340 -0.000 0.000 0.307 128 L C -0.904 175.928 176.870 -0.062 0.000 1.235 128 L CA -0.290 54.494 54.840 -0.093 0.000 1.056 128 L CB 0.749 42.762 42.059 -0.076 0.000 1.453 128 L HN 0.333 nan 8.230 nan 0.000 0.615 129 L N 1.278 122.455 121.223 -0.078 0.000 2.676 129 L HA 0.788 5.128 4.340 -0.000 0.000 0.262 129 L C 0.190 177.026 176.870 -0.058 0.000 0.932 129 L CA -0.040 54.765 54.840 -0.058 0.000 0.932 129 L CB 1.812 43.841 42.059 -0.049 0.000 1.355 129 L HN 0.136 nan 8.230 nan 0.000 0.421 130 G N 0.833 109.606 108.800 -0.045 0.000 2.616 130 G HA2 0.390 4.350 3.960 -0.000 0.000 0.268 130 G HA3 0.390 4.350 3.960 -0.000 0.000 0.268 130 G C 0.859 175.747 174.900 -0.020 0.000 1.213 130 G CA 0.216 45.299 45.100 -0.028 0.000 0.926 130 G HN 0.819 nan 8.290 nan 0.000 0.523 131 S N -1.089 114.606 115.700 -0.007 0.000 2.402 131 S HA -0.130 4.340 4.470 -0.000 0.000 0.229 131 S C 2.160 176.755 174.600 -0.009 0.000 1.021 131 S CA 1.284 59.481 58.200 -0.004 0.000 0.974 131 S CB -0.259 62.943 63.200 0.003 0.000 0.800 131 S HN 0.261 nan 8.310 nan 0.000 0.484 132 V N 3.030 122.933 119.914 -0.018 0.000 2.283 132 V HA -0.135 3.985 4.120 -0.000 0.000 0.243 132 V C 3.135 179.215 176.094 -0.024 0.000 1.039 132 V CA 1.892 64.177 62.300 -0.024 0.000 1.016 132 V CB -1.305 30.497 31.823 -0.034 0.000 0.650 132 V HN 0.757 nan 8.190 nan 0.000 0.449 133 S N 0.077 115.756 115.700 -0.036 0.000 2.370 133 S HA -0.261 4.209 4.470 -0.000 0.000 0.226 133 S C 2.181 176.760 174.600 -0.035 0.000 1.033 133 S CA 1.900 60.071 58.200 -0.048 0.000 1.011 133 S CB -0.803 62.356 63.200 -0.070 0.000 0.852 133 S HN 0.528 nan 8.310 nan 0.000 0.457 134 S N 1.957 117.643 115.700 -0.023 0.000 2.356 134 S HA 0.008 4.478 4.470 -0.000 0.000 0.223 134 S C 2.090 176.704 174.600 0.023 0.000 1.032 134 S CA 1.480 59.673 58.200 -0.011 0.000 1.005 134 S CB -1.317 61.878 63.200 -0.007 0.000 0.867 134 S HN 0.720 nan 8.310 nan 0.000 0.449 135 G N 1.040 109.867 108.800 0.044 0.000 2.422 135 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.218 135 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.218 135 G C 1.370 176.360 174.900 0.149 0.000 1.140 135 G CA 0.795 45.967 45.100 0.121 0.000 0.775 135 G HN 0.468 nan 8.290 nan 0.000 0.545 136 L N -0.036 121.217 121.223 0.050 0.000 2.093 136 L HA 0.167 4.507 4.340 -0.000 0.000 0.208 136 L C 2.531 179.401 176.870 0.001 0.000 1.085 136 L CA 0.877 55.733 54.840 0.027 0.000 0.755 136 L CB -0.627 41.428 42.059 -0.006 0.000 0.904 136 L HN 0.108 nan 8.230 nan 0.000 0.435 137 L N -0.811 120.400 121.223 -0.020 0.000 2.265 137 L HA -0.134 4.206 4.340 -0.000 0.000 0.215 137 L C 2.409 179.227 176.870 -0.086 0.000 1.117 137 L CA 1.567 56.374 54.840 -0.055 0.000 0.782 137 L CB -0.567 41.458 42.059 -0.058 0.000 0.914 137 L HN 0.253 nan 8.230 nan 0.000 0.441 138 R N -2.964 117.485 120.500 -0.086 0.000 2.282 138 R HA 0.132 4.472 4.340 -0.000 0.000 0.195 138 R C 1.041 177.040 176.300 -0.500 0.000 0.909 138 R CA 0.337 56.276 56.100 -0.270 0.000 1.039 138 R CB 0.225 30.353 30.300 -0.287 0.000 1.015 138 R HN 0.425 nan 8.270 nan 0.000 0.513 139 H N -1.046 117.960 119.070 -0.107 0.000 3.643 139 H HA 0.337 4.893 4.556 -0.000 0.000 0.256 139 H C 0.098 175.270 175.328 -0.261 0.000 1.107 139 H CA 0.057 56.011 56.048 -0.157 0.000 1.175 139 H CB 0.657 30.365 29.762 -0.090 0.000 1.519 139 H HN 0.075 nan 8.280 nan 0.000 0.565 140 A N 0.672 123.452 122.820 -0.066 0.000 2.555 140 A HA -0.053 4.266 4.320 -0.000 0.000 0.233 140 A C -0.132 177.343 177.584 -0.181 0.000 1.060 140 A CA 0.305 52.303 52.037 -0.065 0.000 0.759 140 A CB 0.008 19.000 19.000 -0.014 0.000 0.995 140 A HN 0.603 nan 8.150 nan 0.000 0.506 141 H N -0.424 118.664 119.070 0.030 0.000 2.519 141 H HA 0.327 4.883 4.556 -0.000 0.000 0.289 141 H C 0.277 175.618 175.328 0.022 0.000 1.040 141 H CA 0.618 56.680 56.048 0.025 0.000 1.165 141 H CB 0.108 29.887 29.762 0.028 0.000 1.462 141 H HN 0.874 nan 8.280 nan 0.000 0.555 142 C N -3.284 116.068 119.300 0.086 0.000 3.288 142 C HA 0.528 4.988 4.460 -0.000 0.000 0.318 142 C C -2.866 172.141 174.990 0.028 0.000 1.356 142 C CA -2.633 56.423 59.018 0.063 0.000 1.359 142 C CB 1.869 29.653 27.740 0.074 0.000 1.688 142 C HN -0.028 nan 8.230 nan 0.000 0.467 143 P HA 0.191 nan 4.420 nan 0.000 0.264 143 P C -0.647 176.651 177.300 -0.004 0.000 1.179 143 P CA 0.360 63.464 63.100 0.006 0.000 0.763 143 P CB 0.304 32.019 31.700 0.024 0.000 0.806 144 V N 4.766 124.659 119.914 -0.036 0.000 2.448 144 V HA 0.230 4.349 4.120 -0.000 0.000 0.295 144 V C 0.087 176.114 176.094 -0.110 0.000 1.025 144 V CA -0.615 61.650 62.300 -0.058 0.000 0.859 144 V CB 2.099 33.884 31.823 -0.062 0.000 0.988 144 V HN 0.186 nan 8.190 nan 0.000 0.431 145 V N 5.999 125.822 119.914 -0.153 0.000 2.370 145 V HA 0.442 4.562 4.120 -0.000 0.000 0.279 145 V C -0.042 175.859 176.094 -0.321 0.000 1.029 145 V CA -0.499 61.619 62.300 -0.303 0.000 0.870 145 V CB 1.412 32.931 31.823 -0.507 0.000 0.984 145 V HN 0.562 nan 8.190 nan 0.000 0.451 146 I N 6.143 126.512 120.570 -0.334 0.000 2.321 146 I HA 0.443 4.613 4.170 -0.000 0.000 0.291 146 I C -0.226 175.582 176.117 -0.515 0.000 0.998 146 I CA -0.306 60.777 61.300 -0.362 0.000 1.227 146 I CB 1.464 39.283 38.000 -0.302 0.000 1.368 146 I HN 0.432 nan 8.210 nan 0.000 0.466 147 I N 6.394 126.667 120.570 -0.495 0.000 2.493 147 I HA 0.317 4.487 4.170 -0.000 0.000 0.298 147 I C 0.247 176.064 176.117 -0.499 0.000 0.998 147 I CA -0.315 60.713 61.300 -0.453 0.000 1.137 147 I CB 1.219 39.061 38.000 -0.263 0.000 1.310 147 I HN 0.377 nan 8.210 nan 0.000 0.445 148 H N 4.148 123.166 119.070 -0.086 0.000 2.492 148 H HA 0.231 4.787 4.556 -0.000 0.000 0.345 148 H C -0.233 175.077 175.328 -0.029 0.000 1.136 148 H CA -0.634 55.381 56.048 -0.055 0.000 1.202 148 H CB 1.547 31.276 29.762 -0.056 0.000 1.524 148 H HN 0.601 nan 8.280 nan 0.000 0.506 149 D N 0.485 120.938 120.400 0.089 0.000 2.379 149 D HA -0.123 4.517 4.640 -0.000 0.000 0.243 149 D C 0.566 176.899 176.300 0.056 0.000 1.088 149 D CA 0.292 54.325 54.000 0.055 0.000 0.925 149 D CB -0.117 40.708 40.800 0.041 0.000 0.888 149 D HN 0.803 nan 8.370 nan 0.000 0.529 150 E N -0.912 119.329 120.200 0.068 0.000 2.715 150 E HA 0.097 4.447 4.350 -0.000 0.000 0.224 150 E C -0.570 176.060 176.600 0.050 0.000 0.962 150 E CA -0.676 55.751 56.400 0.046 0.000 1.145 150 E CB 0.013 29.727 29.700 0.024 0.000 1.083 150 E HN -0.069 nan 8.360 nan 0.000 0.506 151 D N 2.104 122.549 120.400 0.076 0.000 2.399 151 D HA 0.040 4.680 4.640 -0.000 0.000 0.241 151 D C -0.432 175.915 176.300 0.078 0.000 1.133 151 D CA 0.281 54.328 54.000 0.079 0.000 0.890 151 D CB 1.508 42.364 40.800 0.093 0.000 1.201 151 D HN -0.066 nan 8.370 nan 0.000 0.432 152 S N 0.987 116.734 115.700 0.079 0.000 2.399 152 S HA 0.277 4.747 4.470 -0.000 0.000 0.301 152 S C 0.720 175.391 174.600 0.119 0.000 1.093 152 S CA -0.676 57.573 58.200 0.081 0.000 1.077 152 S CB 0.132 63.369 63.200 0.060 0.000 0.980 152 S HN 0.248 nan 8.310 nan 0.000 0.494 153 V N 5.989 125.977 119.914 0.124 0.000 3.539 153 V HA 0.088 4.208 4.120 -0.000 0.000 0.262 153 V C 1.880 178.032 176.094 0.096 0.000 1.381 153 V CA 0.021 62.414 62.300 0.155 0.000 1.060 153 V CB 0.092 32.041 31.823 0.209 0.000 0.842 153 V HN 0.655 nan 8.190 nan 0.000 0.445 154 M N 0.304 119.950 119.600 0.077 0.000 2.156 154 M HA 0.155 4.635 4.480 -0.000 0.000 0.264 154 M C -1.148 175.193 176.300 0.069 0.000 1.067 154 M CA 0.710 56.045 55.300 0.058 0.000 1.131 154 M CB -2.039 30.590 32.600 0.047 0.000 1.368 154 M HN 0.210 nan 8.290 nan 0.000 0.416 155 P HA -0.000 nan 4.420 nan 0.000 0.265 155 P C -0.466 176.912 177.300 0.130 0.000 1.187 155 P CA 0.779 63.926 63.100 0.078 0.000 0.766 155 P CB 0.265 31.996 31.700 0.052 0.000 0.820 156 H N 2.106 121.178 119.070 0.003 0.000 3.086 156 H HA 0.289 4.845 4.556 -0.000 0.000 0.353 156 H C -2.574 172.754 175.328 -0.001 0.000 1.134 156 H CA -1.425 54.621 56.048 -0.002 0.000 1.248 156 H CB 1.811 31.567 29.762 -0.010 0.000 1.878 156 H HN 0.338 nan 8.280 nan 0.000 0.527 157 P HA 0.179 nan 4.420 nan 0.000 0.286 157 P C -0.668 176.472 177.300 -0.266 0.000 1.269 157 P CA -0.645 61.988 63.100 -0.778 0.000 0.787 157 P CB 1.538 32.848 31.700 -0.650 0.000 0.920 158 Q N 2.063 121.771 119.800 -0.154 0.000 2.281 158 Q HA -0.001 4.339 4.340 -0.000 0.000 0.267 158 Q C 1.348 177.318 176.000 -0.051 0.000 1.053 158 Q CA 0.084 55.857 55.803 -0.049 0.000 0.905 158 Q CB 0.816 29.562 28.738 0.012 0.000 1.195 158 Q HN 0.349 nan 8.270 nan 0.000 0.398 159 Q N 2.903 122.680 119.800 -0.038 0.000 2.269 159 Q HA 0.134 4.474 4.340 -0.000 0.000 0.201 159 Q C 0.019 176.010 176.000 -0.015 0.000 0.946 159 Q CA 0.734 56.519 55.803 -0.031 0.000 0.877 159 Q CB -0.314 28.408 28.738 -0.027 0.000 0.963 159 Q HN 0.564 nan 8.270 nan 0.000 0.472 160 A N 4.667 127.483 122.820 -0.007 0.000 2.565 160 A HA 0.252 4.572 4.320 -0.000 0.000 0.237 160 A C -2.023 175.559 177.584 -0.004 0.000 1.053 160 A CA -0.766 51.270 52.037 -0.003 0.000 0.755 160 A CB -0.343 18.661 19.000 0.006 0.000 0.980 160 A HN 0.231 nan 8.150 nan 0.000 0.506 161 P HA 0.291 nan 4.420 nan 0.000 0.279 161 P C -0.636 176.645 177.300 -0.032 0.000 1.282 161 P CA -0.366 62.720 63.100 -0.024 0.000 0.788 161 P CB 0.629 32.310 31.700 -0.031 0.000 1.139 162 V N 1.364 121.242 119.914 -0.060 0.000 2.370 162 V HA 0.167 4.287 4.120 -0.000 0.000 0.279 162 V C 0.401 176.427 176.094 -0.114 0.000 1.029 162 V CA -0.528 61.725 62.300 -0.078 0.000 0.870 162 V CB 0.719 32.480 31.823 -0.103 0.000 0.984 162 V HN 0.355 nan 8.190 nan 0.000 0.451 163 L N 7.019 128.189 121.223 -0.089 0.000 2.289 163 L HA 0.741 5.081 4.340 -0.000 0.000 0.285 163 L C -0.432 176.369 176.870 -0.116 0.000 1.049 163 L CA 0.225 55.008 54.840 -0.095 0.000 0.804 163 L CB 1.596 43.617 42.059 -0.064 0.000 1.195 163 L HN 0.470 nan 8.230 nan 0.000 0.428 164 V N 4.758 124.590 119.914 -0.137 0.000 2.709 164 V HA 0.855 4.975 4.120 -0.000 0.000 0.308 164 V C -0.043 175.992 176.094 -0.099 0.000 1.062 164 V CA -0.068 62.147 62.300 -0.142 0.000 0.901 164 V CB 1.920 33.608 31.823 -0.225 0.000 1.003 164 V HN 0.920 nan 8.190 nan 0.000 0.425 165 G N 5.427 114.181 108.800 -0.077 0.000 2.329 165 G HA2 0.579 4.539 3.960 -0.000 0.000 0.309 165 G HA3 0.579 4.539 3.960 -0.000 0.000 0.309 165 G C -0.889 173.996 174.900 -0.025 0.000 1.110 165 G CA -0.331 44.743 45.100 -0.043 0.000 0.923 165 G HN 0.915 nan 8.290 nan 0.000 0.430 166 V N 2.410 122.340 119.914 0.027 0.000 2.667 166 V HA 0.544 4.664 4.120 -0.000 0.000 0.308 166 V C 0.089 176.288 176.094 0.174 0.000 1.048 166 V CA -0.573 61.760 62.300 0.056 0.000 0.928 166 V CB 2.036 33.881 31.823 0.038 0.000 1.004 166 V HN 0.853 nan 8.190 nan 0.000 0.444 167 D N 0.538 121.020 120.400 0.137 0.000 2.523 167 D HA 0.220 4.860 4.640 -0.000 0.000 0.269 167 D C 1.057 177.424 176.300 0.112 0.000 1.374 167 D CA 0.633 54.751 54.000 0.196 0.000 0.820 167 D CB 0.642 41.496 40.800 0.091 0.000 1.211 167 D HN 1.066 nan 8.370 nan 0.000 0.502 168 G N 0.778 109.619 108.800 0.068 0.000 2.241 168 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.244 168 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.244 168 G C 0.513 175.442 174.900 0.048 0.000 0.998 168 G CA 0.442 45.572 45.100 0.051 0.000 0.621 168 G HN 1.003 nan 8.290 nan 0.000 0.519 169 S N 0.604 116.326 115.700 0.037 0.000 2.589 169 S HA 0.550 5.020 4.470 -0.000 0.000 0.265 169 S C 1.869 176.490 174.600 0.034 0.000 1.342 169 S CA 0.915 59.130 58.200 0.025 0.000 1.005 169 S CB 1.519 64.723 63.200 0.006 0.000 0.909 169 S HN 1.695 nan 8.310 nan 0.000 0.555 170 S N 1.446 117.164 115.700 0.030 0.000 2.368 170 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 170 S C 2.005 176.625 174.600 0.033 0.000 1.030 170 S CA 0.801 59.025 58.200 0.040 0.000 0.999 170 S CB -1.327 61.893 63.200 0.032 0.000 0.844 170 S HN 1.181 nan 8.310 nan 0.000 0.459 171 A N 0.969 123.796 122.820 0.011 0.000 2.019 171 A HA 0.045 4.365 4.320 -0.000 0.000 0.219 171 A C 2.376 179.957 177.584 -0.004 0.000 1.164 171 A CA 1.656 53.692 52.037 -0.002 0.000 0.644 171 A CB -1.069 17.916 19.000 -0.024 0.000 0.805 171 A HN 0.582 nan 8.150 nan 0.000 0.449 172 S N -1.155 114.546 115.700 0.003 0.000 2.446 172 S HA -0.063 4.407 4.470 -0.000 0.000 0.225 172 S C 1.913 176.511 174.600 -0.004 0.000 1.016 172 S CA 0.845 59.042 58.200 -0.006 0.000 0.943 172 S CB -0.257 62.948 63.200 0.008 0.000 0.786 172 S HN 0.542 nan 8.310 nan 0.000 0.508 173 E N 1.344 121.571 120.200 0.044 0.000 2.051 173 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 173 E C 2.069 178.708 176.600 0.065 0.000 0.991 173 E CA 0.712 57.172 56.400 0.101 0.000 0.799 173 E CB -0.566 29.244 29.700 0.183 0.000 0.748 173 E HN 0.466 nan 8.360 nan 0.000 0.449 174 L N 0.516 121.773 121.223 0.057 0.000 2.012 174 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 174 L C 2.389 179.249 176.870 -0.017 0.000 1.073 174 L CA 1.570 56.437 54.840 0.044 0.000 0.748 174 L CB -0.346 41.735 42.059 0.036 0.000 0.891 174 L HN 0.078 nan 8.230 nan 0.000 0.431 175 A N -0.986 121.806 122.820 -0.046 0.000 1.940 175 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 175 A C 2.204 179.691 177.584 -0.162 0.000 1.176 175 A CA 2.415 54.401 52.037 -0.085 0.000 0.631 175 A CB -0.998 17.954 19.000 -0.080 0.000 0.814 175 A HN 0.517 nan 8.150 nan 0.000 0.446 176 T N 0.355 114.771 114.554 -0.230 0.000 2.674 176 T HA -0.019 4.331 4.350 -0.000 0.000 0.265 176 T C 2.281 176.674 174.700 -0.512 0.000 1.039 176 T CA 1.705 63.542 62.100 -0.439 0.000 1.150 176 T CB -0.623 67.869 68.868 -0.627 0.000 0.864 176 T HN 0.637 nan 8.240 nan 0.000 0.427 177 A N 1.504 124.051 122.820 -0.455 0.000 1.884 177 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 177 A C 2.320 179.871 177.584 -0.055 0.000 1.197 177 A CA 1.720 53.653 52.037 -0.173 0.000 0.637 177 A CB -1.029 18.075 19.000 0.172 0.000 0.827 177 A HN 0.544 nan 8.150 nan 0.000 0.450 178 I N -0.380 120.159 120.570 -0.051 0.000 2.208 178 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 178 I C 2.982 179.055 176.117 -0.074 0.000 1.097 178 I CA 1.171 62.458 61.300 -0.021 0.000 1.363 178 I CB -0.457 37.535 38.000 -0.013 0.000 1.051 178 I HN 0.391 nan 8.210 nan 0.000 0.413 179 A N 0.680 123.394 122.820 -0.177 0.000 1.902 179 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 179 A C 2.090 179.468 177.584 -0.343 0.000 1.181 179 A CA 1.604 53.479 52.037 -0.270 0.000 0.623 179 A CB -0.878 17.886 19.000 -0.393 0.000 0.818 179 A HN 0.311 nan 8.150 nan 0.000 0.443 180 F N 0.184 119.911 119.950 -0.371 0.000 2.128 180 F HA -0.111 4.416 4.527 -0.000 0.000 0.295 180 F C 2.288 177.830 175.800 -0.430 0.000 1.100 180 F CA 1.528 59.203 58.000 -0.542 0.000 1.260 180 F CB -0.390 38.029 39.000 -0.969 0.000 1.009 180 F HN 0.318 nan 8.300 nan 0.000 0.476 181 D N 0.573 120.936 120.400 -0.062 0.000 2.126 181 D HA -0.266 4.374 4.640 -0.000 0.000 0.190 181 D C 2.012 178.376 176.300 0.107 0.000 1.001 181 D CA 1.766 55.853 54.000 0.144 0.000 0.841 181 D CB -0.174 40.723 40.800 0.161 0.000 0.949 181 D HN 0.264 nan 8.370 nan 0.000 0.446 182 E N -0.155 120.070 120.200 0.041 0.000 2.150 182 E HA -0.029 4.321 4.350 -0.000 0.000 0.193 182 E C 1.827 178.443 176.600 0.028 0.000 0.985 182 E CA 1.238 57.662 56.400 0.041 0.000 0.814 182 E CB -0.321 29.405 29.700 0.044 0.000 0.752 182 E HN 0.342 nan 8.360 nan 0.000 0.466 183 A N 0.027 122.843 122.820 -0.006 0.000 1.872 183 A HA -0.128 4.191 4.320 -0.000 0.000 0.214 183 A C 2.345 179.969 177.584 0.066 0.000 1.187 183 A CA 1.797 53.830 52.037 -0.007 0.000 0.614 183 A CB -0.850 18.096 19.000 -0.090 0.000 0.826 183 A HN 0.394 nan 8.150 nan 0.000 0.442 184 S N 0.065 115.849 115.700 0.141 0.000 2.368 184 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 184 S C 2.025 176.705 174.600 0.133 0.000 1.029 184 S CA 1.169 59.487 58.200 0.196 0.000 0.988 184 S CB -0.524 62.896 63.200 0.367 0.000 0.838 184 S HN 0.567 nan 8.310 nan 0.000 0.462 185 R N 1.083 121.656 120.500 0.121 0.000 2.105 185 R HA 0.085 4.425 4.340 -0.000 0.000 0.239 185 R C 2.633 178.965 176.300 0.054 0.000 1.135 185 R CA 1.503 57.651 56.100 0.080 0.000 0.967 185 R CB -0.259 30.080 30.300 0.065 0.000 0.861 185 R HN 0.443 nan 8.270 nan 0.000 0.442 186 R N 0.234 120.761 120.500 0.046 0.000 2.275 186 R HA 0.024 4.363 4.340 -0.000 0.000 0.199 186 R C 0.297 176.616 176.300 0.032 0.000 0.989 186 R CA 0.044 56.165 56.100 0.034 0.000 1.016 186 R CB -0.227 30.087 30.300 0.024 0.000 0.918 186 R HN 0.341 nan 8.270 nan 0.000 0.473 187 N N 0.593 119.321 118.700 0.046 0.000 2.727 187 N HA -0.159 4.581 4.740 -0.000 0.000 0.251 187 N C -1.178 174.347 175.510 0.025 0.000 1.040 187 N CA 0.321 53.397 53.050 0.043 0.000 0.712 187 N CB -0.472 38.034 38.487 0.032 0.000 0.912 187 N HN -0.066 nan 8.380 nan 0.000 0.545 188 V N -0.674 119.256 119.914 0.026 0.000 3.156 188 V HA 0.497 4.617 4.120 -0.000 0.000 0.311 188 V C 0.198 176.299 176.094 0.013 0.000 1.208 188 V CA -0.933 61.373 62.300 0.011 0.000 1.063 188 V CB 1.810 33.632 31.823 -0.002 0.000 1.098 188 V HN 0.036 nan 8.190 nan 0.000 0.452 189 D N 0.658 121.058 120.400 -0.000 0.000 2.387 189 D HA 0.583 5.223 4.640 -0.000 0.000 0.251 189 D C -0.692 175.577 176.300 -0.051 0.000 1.141 189 D CA -0.078 53.918 54.000 -0.006 0.000 0.987 189 D CB 1.964 42.763 40.800 -0.001 0.000 1.116 189 D HN 0.475 nan 8.370 nan 0.000 0.491 190 L N 0.221 121.397 121.223 -0.079 0.000 2.385 190 L HA 0.433 4.773 4.340 -0.000 0.000 0.273 190 L C -1.450 175.339 176.870 -0.135 0.000 0.990 190 L CA -0.673 54.060 54.840 -0.179 0.000 0.821 190 L CB 1.769 43.595 42.059 -0.388 0.000 1.279 190 L HN 0.025 nan 8.230 nan 0.000 0.412 191 V N 4.895 124.728 119.914 -0.135 0.000 2.313 191 V HA 0.582 4.702 4.120 -0.000 0.000 0.278 191 V C 0.385 176.415 176.094 -0.107 0.000 1.017 191 V CA -0.452 61.796 62.300 -0.088 0.000 0.823 191 V CB 1.149 32.938 31.823 -0.056 0.000 1.010 191 V HN 0.849 nan 8.190 nan 0.000 0.443 192 A N 6.029 128.798 122.820 -0.085 0.000 2.320 192 A HA 0.797 5.117 4.320 -0.000 0.000 0.287 192 A C -0.686 176.897 177.584 -0.003 0.000 1.181 192 A CA -0.280 51.717 52.037 -0.066 0.000 0.831 192 A CB 0.602 19.577 19.000 -0.043 0.000 1.102 192 A HN 0.900 nan 8.150 nan 0.000 0.513 193 L N 3.596 124.823 121.223 0.008 0.000 2.385 193 L HA 0.535 4.875 4.340 -0.000 0.000 0.273 193 L C -0.764 176.171 176.870 0.109 0.000 0.990 193 L CA -0.494 54.375 54.840 0.049 0.000 0.821 193 L CB 1.599 43.664 42.059 0.010 0.000 1.279 193 L HN 0.878 nan 8.230 nan 0.000 0.412 194 H N 4.653 123.749 119.070 0.042 0.000 2.689 194 H HA 0.580 5.136 4.556 -0.000 0.000 0.346 194 H C -1.386 174.000 175.328 0.097 0.000 1.037 194 H CA -0.597 55.487 56.048 0.061 0.000 1.234 194 H CB 2.073 31.886 29.762 0.084 0.000 1.572 194 H HN 0.817 nan 8.280 nan 0.000 0.524 195 A N 4.629 127.178 122.820 -0.452 0.000 2.269 195 A HA 0.049 4.369 4.320 -0.000 0.000 0.302 195 A C 0.720 177.977 177.584 -0.545 0.000 1.266 195 A CA -0.704 51.129 52.037 -0.340 0.000 0.894 195 A CB -0.143 18.706 19.000 -0.252 0.000 1.147 195 A HN 0.978 nan 8.150 nan 0.000 0.537 196 W N 3.578 124.720 121.300 -0.264 0.000 2.318 196 W HA -0.125 4.535 4.660 -0.000 0.000 0.313 196 W C 0.970 177.439 176.519 -0.083 0.000 1.221 196 W CA 2.091 59.435 57.345 -0.002 0.000 1.266 196 W CB 0.105 29.716 29.460 0.252 0.000 1.150 196 W HN 0.559 nan 8.180 nan 0.000 0.496 197 S N 0.391 115.889 115.700 -0.336 0.000 2.454 197 S HA 0.181 4.651 4.470 -0.000 0.000 0.306 197 S C 0.544 174.927 174.600 -0.361 0.000 1.100 197 S CA -0.594 57.279 58.200 -0.545 0.000 1.087 197 S CB 1.064 63.905 63.200 -0.598 0.000 1.019 197 S HN 0.105 nan 8.310 nan 0.000 0.480 198 D N 2.384 122.591 120.400 -0.321 0.000 2.183 198 D HA 0.021 4.661 4.640 -0.000 0.000 0.203 198 D C 0.598 176.758 176.300 -0.234 0.000 0.969 198 D CA 0.914 54.774 54.000 -0.234 0.000 0.842 198 D CB -0.026 40.669 40.800 -0.177 0.000 0.957 198 D HN 0.341 nan 8.370 nan 0.000 0.484 199 V N 1.694 121.435 119.914 -0.287 0.000 2.607 199 V HA 0.031 4.151 4.120 -0.000 0.000 0.289 199 V C 0.424 176.269 176.094 -0.415 0.000 1.053 199 V CA -0.820 61.294 62.300 -0.310 0.000 0.996 199 V CB 1.670 33.302 31.823 -0.317 0.000 0.995 199 V HN -0.007 nan 8.190 nan 0.000 0.476 200 D N 3.076 123.249 120.400 -0.379 0.000 2.358 200 D HA 0.089 4.729 4.640 -0.000 0.000 0.258 200 D C 0.418 176.314 176.300 -0.673 0.000 1.223 200 D CA 0.019 53.786 54.000 -0.388 0.000 0.886 200 D CB 1.415 42.076 40.800 -0.231 0.000 1.120 200 D HN 0.447 nan 8.370 nan 0.000 0.482 201 V N 1.586 121.118 119.914 -0.637 0.000 2.933 201 V HA 0.184 4.303 4.120 -0.000 0.000 0.374 201 V C 1.457 177.423 176.094 -0.213 0.000 1.321 201 V CA -0.441 61.369 62.300 -0.817 0.000 1.290 201 V CB 0.093 31.481 31.823 -0.726 0.000 1.346 201 V HN 0.286 nan 8.190 nan 0.000 0.560 202 S N 1.591 117.227 115.700 -0.108 0.000 2.353 202 S HA -0.130 4.340 4.470 -0.000 0.000 0.222 202 S C 1.743 176.431 174.600 0.148 0.000 1.035 202 S CA 2.022 60.231 58.200 0.015 0.000 1.025 202 S CB -0.146 63.056 63.200 0.003 0.000 0.902 202 S HN 0.776 nan 8.310 nan 0.000 0.440 203 E N -0.332 120.043 120.200 0.292 0.000 2.474 203 E HA 0.041 4.391 4.350 -0.000 0.000 0.194 203 E C -0.121 176.675 176.600 0.327 0.000 1.041 203 E CA -0.234 56.326 56.400 0.266 0.000 0.874 203 E CB -0.059 29.762 29.700 0.201 0.000 0.914 203 E HN 0.605 nan 8.360 nan 0.000 0.498 204 W N 4.049 125.358 121.300 0.015 0.000 2.443 204 W HA 0.011 4.671 4.660 -0.000 0.000 0.335 204 W C -1.881 174.662 176.519 0.038 0.000 1.382 204 W CA -0.891 56.473 57.345 0.032 0.000 1.305 204 W CB 0.197 29.688 29.460 0.051 0.000 1.283 204 W HN -0.045 nan 8.180 nan 0.000 0.567 205 P HA 0.267 nan 4.420 nan 0.000 0.290 205 P C 0.079 177.441 177.300 0.104 0.000 1.275 205 P CA -0.203 62.950 63.100 0.088 0.000 0.841 205 P CB 1.478 33.188 31.700 0.017 0.000 1.042 206 G N 2.042 110.901 108.800 0.097 0.000 2.298 206 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.287 206 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.287 206 G C 0.479 175.458 174.900 0.131 0.000 1.075 206 G CA 0.156 45.312 45.100 0.093 0.000 0.960 206 G HN 0.485 nan 8.290 nan 0.000 0.502 207 I N -0.623 120.038 120.570 0.152 0.000 2.522 207 I HA 0.130 4.300 4.170 -0.000 0.000 0.240 207 I C 1.238 177.425 176.117 0.116 0.000 1.078 207 I CA 0.820 62.225 61.300 0.175 0.000 1.422 207 I CB -0.070 38.054 38.000 0.207 0.000 1.188 207 I HN 0.406 nan 8.210 nan 0.000 0.442 208 D N 0.177 120.643 120.400 0.110 0.000 3.585 208 D HA -0.229 4.411 4.640 -0.000 0.000 0.251 208 D C 0.359 176.702 176.300 0.072 0.000 1.065 208 D CA 0.241 54.284 54.000 0.071 0.000 1.048 208 D CB -1.068 39.747 40.800 0.026 0.000 0.952 208 D HN 0.588 nan 8.370 nan 0.000 0.421 209 W N 2.340 123.584 121.300 -0.094 0.000 2.407 209 W HA -0.002 4.658 4.660 -0.000 0.000 0.305 209 W C -1.169 175.263 176.519 -0.143 0.000 1.196 209 W CA 1.238 58.494 57.345 -0.149 0.000 1.311 209 W CB -0.883 28.520 29.460 -0.094 0.000 1.135 209 W HN 0.342 nan 8.180 nan 0.000 0.514 210 P HA -0.209 nan 4.420 nan 0.000 0.217 210 P C 1.508 178.572 177.300 -0.393 0.000 1.148 210 P CA 3.164 66.029 63.100 -0.392 0.000 0.834 210 P CB -0.480 31.123 31.700 -0.162 0.000 0.783 211 A N -1.136 121.512 122.820 -0.286 0.000 1.897 211 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 211 A C 2.144 179.529 177.584 -0.331 0.000 1.181 211 A CA 2.072 53.965 52.037 -0.241 0.000 0.620 211 A CB -1.661 17.252 19.000 -0.144 0.000 0.821 211 A HN 0.177 nan 8.150 nan 0.000 0.443 212 T N -0.413 113.879 114.554 -0.438 0.000 2.904 212 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 212 T C 2.000 176.260 174.700 -0.733 0.000 1.059 212 T CA 1.350 63.127 62.100 -0.539 0.000 1.137 212 T CB -0.203 68.289 68.868 -0.627 0.000 0.879 212 T HN 0.631 nan 8.240 nan 0.000 0.467 213 Q N 0.897 120.005 119.800 -1.152 0.000 2.084 213 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 213 Q C 2.517 178.216 176.000 -0.501 0.000 0.978 213 Q CA 1.552 56.677 55.803 -1.131 0.000 0.844 213 Q CB -0.277 27.599 28.738 -1.437 0.000 0.898 213 Q HN 0.456 nan 8.270 nan 0.000 0.426 214 S N -0.608 114.850 115.700 -0.403 0.000 2.382 214 S HA -0.100 4.370 4.470 -0.000 0.000 0.228 214 S C 1.904 176.406 174.600 -0.163 0.000 1.027 214 S CA 1.040 59.102 58.200 -0.230 0.000 0.991 214 S CB -0.056 63.029 63.200 -0.191 0.000 0.823 214 S HN 0.387 nan 8.310 nan 0.000 0.469 215 M N 0.970 120.462 119.600 -0.179 0.000 2.254 215 M HA 0.100 4.580 4.480 -0.000 0.000 0.265 215 M C 2.380 178.644 176.300 -0.060 0.000 1.066 215 M CA 1.236 56.474 55.300 -0.105 0.000 1.123 215 M CB -1.637 30.904 32.600 -0.098 0.000 1.388 215 M HN 0.478 nan 8.290 nan 0.000 0.425 216 A N 0.129 122.904 122.820 -0.076 0.000 1.872 216 A HA -0.136 4.184 4.320 -0.000 0.000 0.214 216 A C 1.986 179.586 177.584 0.027 0.000 1.187 216 A CA 1.384 53.439 52.037 0.030 0.000 0.614 216 A CB -0.679 18.391 19.000 0.117 0.000 0.826 216 A HN 0.522 nan 8.150 nan 0.000 0.442 217 E N -0.581 119.615 120.200 -0.008 0.000 2.219 217 E HA -0.276 4.074 4.350 -0.000 0.000 0.198 217 E C 2.141 178.744 176.600 0.005 0.000 0.998 217 E CA 1.368 57.771 56.400 0.006 0.000 0.818 217 E CB -0.116 29.571 29.700 -0.022 0.000 0.741 217 E HN 0.819 nan 8.360 nan 0.000 0.477 218 Q N 0.478 120.274 119.800 -0.007 0.000 2.062 218 Q HA -0.120 4.220 4.340 -0.000 0.000 0.196 218 Q C 2.221 178.227 176.000 0.010 0.000 0.967 218 Q CA 1.213 57.016 55.803 -0.001 0.000 0.832 218 Q CB 0.269 29.001 28.738 -0.011 0.000 0.899 218 Q HN 0.166 nan 8.270 nan 0.000 0.442 219 V N 1.593 121.513 119.914 0.010 0.000 2.490 219 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 219 V C 2.387 178.482 176.094 0.003 0.000 1.061 219 V CA 1.364 63.669 62.300 0.010 0.000 1.064 219 V CB -0.693 31.138 31.823 0.013 0.000 0.670 219 V HN 0.435 nan 8.190 nan 0.000 0.461 220 L N 0.232 121.454 121.223 -0.001 0.000 2.017 220 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 220 L C 2.659 179.556 176.870 0.045 0.000 1.073 220 L CA 1.939 56.782 54.840 0.006 0.000 0.745 220 L CB -0.556 41.520 42.059 0.028 0.000 0.894 220 L HN 0.381 nan 8.230 nan 0.000 0.432 221 A N -0.511 122.336 122.820 0.045 0.000 1.933 221 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 221 A C 1.998 179.618 177.584 0.060 0.000 1.175 221 A CA 1.758 53.829 52.037 0.057 0.000 0.628 221 A CB -0.446 18.579 19.000 0.041 0.000 0.814 221 A HN 0.564 nan 8.150 nan 0.000 0.444 222 E N -0.596 119.631 120.200 0.045 0.000 2.106 222 E HA -0.131 4.218 4.350 -0.000 0.000 0.192 222 E C 2.251 178.886 176.600 0.058 0.000 0.984 222 E CA 0.869 57.293 56.400 0.041 0.000 0.806 222 E CB -0.131 29.585 29.700 0.027 0.000 0.750 222 E HN 0.512 nan 8.360 nan 0.000 0.458 223 R N 0.248 120.792 120.500 0.073 0.000 2.189 223 R HA 0.023 4.363 4.340 -0.000 0.000 0.218 223 R C 1.793 178.221 176.300 0.214 0.000 1.074 223 R CA 0.608 56.776 56.100 0.114 0.000 0.991 223 R CB 0.048 30.402 30.300 0.092 0.000 0.883 223 R HN 0.199 nan 8.270 nan 0.000 0.457 224 L N 0.026 121.373 121.223 0.206 0.000 2.628 224 L HA 0.195 4.535 4.340 -0.000 0.000 0.229 224 L C 2.033 179.035 176.870 0.221 0.000 1.137 224 L CA -0.233 54.791 54.840 0.305 0.000 0.909 224 L CB 0.002 42.216 42.059 0.258 0.000 1.137 224 L HN 0.125 nan 8.230 nan 0.000 0.470 225 A N 0.793 123.686 122.820 0.122 0.000 1.873 225 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 225 A C 2.361 179.945 177.584 -0.001 0.000 1.186 225 A CA 1.648 53.718 52.037 0.055 0.000 0.616 225 A CB -0.917 18.098 19.000 0.026 0.000 0.823 225 A HN 0.400 nan 8.150 nan 0.000 0.442 226 G N -1.686 107.071 108.800 -0.071 0.000 2.450 226 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 226 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 226 G C 1.372 176.083 174.900 -0.314 0.000 1.130 226 G CA 0.938 45.897 45.100 -0.235 0.000 0.760 226 G HN 0.677 nan 8.290 nan 0.000 0.557 227 W N -0.208 121.011 121.300 -0.134 0.000 2.476 227 W HA 0.165 4.825 4.660 -0.000 0.000 0.281 227 W C 2.786 179.070 176.519 -0.391 0.000 1.230 227 W CA 0.606 57.733 57.345 -0.364 0.000 1.287 227 W CB 0.025 29.152 29.460 -0.556 0.000 1.108 227 W HN 0.192 nan 8.180 nan 0.000 0.567 228 Q N 1.235 121.054 119.800 0.031 0.000 2.119 228 Q HA -0.213 4.127 4.340 -0.000 0.000 0.201 228 Q C 2.007 178.030 176.000 0.039 0.000 0.972 228 Q CA 2.071 57.912 55.803 0.063 0.000 0.847 228 Q CB -0.443 28.357 28.738 0.103 0.000 0.903 228 Q HN 0.416 nan 8.270 nan 0.000 0.433 229 E N -0.348 119.849 120.200 -0.005 0.000 2.106 229 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 229 E C 2.020 178.588 176.600 -0.053 0.000 0.984 229 E CA 0.797 57.179 56.400 -0.030 0.000 0.806 229 E CB -0.097 29.570 29.700 -0.056 0.000 0.750 229 E HN 0.294 nan 8.360 nan 0.000 0.458 230 R N -0.965 119.493 120.500 -0.069 0.000 2.193 230 R HA -0.058 4.282 4.340 -0.000 0.000 0.213 230 R C 0.042 176.223 176.300 -0.198 0.000 1.055 230 R CA 0.738 56.765 56.100 -0.122 0.000 0.995 230 R CB 0.217 30.453 30.300 -0.107 0.000 0.893 230 R HN 0.170 nan 8.270 nan 0.000 0.459 231 Y N -0.553 119.698 120.300 -0.082 0.000 2.658 231 Y HA 0.319 4.869 4.550 -0.000 0.000 0.362 231 Y C -1.954 173.964 175.900 0.029 0.000 1.017 231 Y CA -2.245 55.849 58.100 -0.010 0.000 1.134 231 Y CB 1.810 40.274 38.460 0.007 0.000 1.144 231 Y HN 0.095 nan 8.280 nan 0.000 0.655 232 P HA -0.131 nan 4.420 nan 0.000 0.223 232 P C 0.634 177.995 177.300 0.102 0.000 1.151 232 P CA 1.465 64.613 63.100 0.079 0.000 0.787 232 P CB 0.189 31.906 31.700 0.028 0.000 0.788 233 N N -1.349 117.422 118.700 0.119 0.000 2.457 233 N HA -0.007 4.733 4.740 -0.000 0.000 0.180 233 N C 0.232 175.826 175.510 0.139 0.000 1.050 233 N CA -0.006 53.111 53.050 0.112 0.000 0.906 233 N CB -0.322 38.224 38.487 0.098 0.000 0.968 233 N HN -0.019 nan 8.380 nan 0.000 0.445 234 V N 0.491 120.526 119.914 0.202 0.000 2.398 234 V HA 0.688 4.808 4.120 -0.000 0.000 0.286 234 V C -0.672 175.532 176.094 0.183 0.000 1.026 234 V CA -1.121 61.298 62.300 0.199 0.000 0.868 234 V CB 0.970 32.954 31.823 0.268 0.000 0.982 234 V HN 0.321 nan 8.190 nan 0.000 0.443 235 A N 8.096 130.987 122.820 0.120 0.000 2.310 235 A HA 0.607 4.927 4.320 -0.000 0.000 0.300 235 A C -0.061 177.577 177.584 0.089 0.000 1.269 235 A CA -0.400 51.696 52.037 0.098 0.000 0.909 235 A CB -0.222 18.816 19.000 0.063 0.000 1.144 235 A HN 0.840 nan 8.150 nan 0.000 0.540 236 I N 2.275 122.917 120.570 0.120 0.000 2.529 236 I HA 0.174 4.344 4.170 -0.000 0.000 0.284 236 I C 0.206 176.357 176.117 0.057 0.000 1.082 236 I CA 0.359 61.719 61.300 0.101 0.000 1.406 236 I CB 1.245 39.349 38.000 0.174 0.000 1.405 236 I HN 0.496 nan 8.210 nan 0.000 0.548 237 T N 6.513 121.082 114.554 0.025 0.000 2.864 237 T HA 0.365 4.715 4.350 -0.000 0.000 0.310 237 T C -0.089 174.623 174.700 0.020 0.000 1.040 237 T CA -0.674 61.438 62.100 0.021 0.000 0.977 237 T CB 0.542 69.415 68.868 0.008 0.000 0.976 237 T HN 0.449 nan 8.240 nan 0.000 0.459 238 R N 1.918 122.439 120.500 0.035 0.000 2.357 238 R HA 0.654 4.993 4.340 -0.000 0.000 0.296 238 R C -0.847 175.480 176.300 0.045 0.000 1.052 238 R CA -0.535 55.590 56.100 0.043 0.000 0.988 238 R CB 1.056 31.388 30.300 0.053 0.000 1.025 238 R HN 0.329 nan 8.270 nan 0.000 0.469 239 V N 3.854 123.803 119.914 0.058 0.000 2.569 239 V HA 0.268 4.388 4.120 -0.000 0.000 0.301 239 V C -0.657 175.508 176.094 0.118 0.000 1.044 239 V CA -0.815 61.528 62.300 0.072 0.000 0.874 239 V CB 2.166 34.020 31.823 0.052 0.000 1.002 239 V HN 0.436 nan 8.190 nan 0.000 0.424 240 V N 5.852 125.856 119.914 0.150 0.000 2.384 240 V HA 0.623 4.743 4.120 -0.000 0.000 0.287 240 V C -0.002 176.282 176.094 0.317 0.000 1.020 240 V CA -0.485 61.961 62.300 0.245 0.000 0.850 240 V CB 1.856 33.834 31.823 0.258 0.000 0.987 240 V HN 0.752 nan 8.190 nan 0.000 0.436 241 V N 3.063 123.140 119.914 0.271 0.000 3.096 241 V HA 0.620 4.740 4.120 -0.000 0.000 0.319 241 V C 1.049 177.183 176.094 0.066 0.000 1.103 241 V CA -0.687 61.737 62.300 0.207 0.000 1.016 241 V CB 1.825 33.671 31.823 0.039 0.000 1.090 241 V HN 0.693 nan 8.190 nan 0.000 0.449 242 R N 0.439 120.689 120.500 -0.417 0.000 2.055 242 R HA 0.059 4.399 4.340 -0.000 0.000 0.228 242 R C 0.256 176.358 176.300 -0.330 0.000 1.143 242 R CA 1.996 57.536 56.100 -0.933 0.000 0.945 242 R CB 0.069 29.544 30.300 -1.375 0.000 0.841 242 R HN 1.073 nan 8.270 nan 0.000 0.429 243 D N -2.785 117.437 120.400 -0.297 0.000 2.825 243 D HA 0.052 4.692 4.640 -0.000 0.000 0.327 243 D C -1.130 175.049 176.300 -0.202 0.000 1.277 243 D CA -0.672 53.181 54.000 -0.245 0.000 0.950 243 D CB 0.189 40.819 40.800 -0.284 0.000 1.438 243 D HN 0.107 nan 8.370 nan 0.000 0.526 244 Q N -0.597 119.088 119.800 -0.190 0.000 2.456 244 Q HA -0.110 4.230 4.340 -0.000 0.000 0.325 244 Q C -1.889 174.034 176.000 -0.128 0.000 1.453 244 Q CA 0.467 56.181 55.803 -0.149 0.000 0.848 244 Q CB -1.204 27.454 28.738 -0.134 0.000 1.123 244 Q HN 0.446 nan 8.270 nan 0.000 0.374 245 P HA -0.227 nan 4.420 nan 0.000 0.216 245 P C 1.204 178.449 177.300 -0.091 0.000 1.153 245 P CA 1.869 64.900 63.100 -0.114 0.000 0.848 245 P CB 0.046 31.670 31.700 -0.127 0.000 0.787 246 A N 0.869 123.635 122.820 -0.089 0.000 1.859 246 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 246 A C 2.567 180.107 177.584 -0.073 0.000 1.198 246 A CA 2.294 54.285 52.037 -0.077 0.000 0.629 246 A CB -1.527 17.428 19.000 -0.074 0.000 0.830 246 A HN 0.079 nan 8.150 nan 0.000 0.446 247 R N -1.270 119.185 120.500 -0.075 0.000 2.120 247 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 247 R C 2.316 178.577 176.300 -0.065 0.000 1.123 247 R CA 1.383 57.441 56.100 -0.069 0.000 0.975 247 R CB -0.175 30.083 30.300 -0.070 0.000 0.866 247 R HN 0.522 nan 8.270 nan 0.000 0.446 248 Q N 0.517 120.276 119.800 -0.068 0.000 2.046 248 Q HA -0.135 4.204 4.340 -0.000 0.000 0.200 248 Q C 2.246 178.215 176.000 -0.051 0.000 0.975 248 Q CA 1.393 57.162 55.803 -0.057 0.000 0.836 248 Q CB -0.226 28.476 28.738 -0.059 0.000 0.896 248 Q HN 0.397 nan 8.270 nan 0.000 0.428 249 L N -0.250 120.940 121.223 -0.056 0.000 2.046 249 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 249 L C 2.467 179.304 176.870 -0.056 0.000 1.077 249 L CA 0.763 55.571 54.840 -0.054 0.000 0.747 249 L CB -0.585 41.439 42.059 -0.058 0.000 0.896 249 L HN 0.014 nan 8.230 nan 0.000 0.432 250 V N -0.460 119.417 119.914 -0.061 0.000 2.407 250 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 250 V C 2.451 178.507 176.094 -0.064 0.000 1.055 250 V CA 1.885 64.144 62.300 -0.068 0.000 1.049 250 V CB -0.446 31.333 31.823 -0.073 0.000 0.662 250 V HN 0.530 nan 8.190 nan 0.000 0.455 251 Q N -0.225 119.542 119.800 -0.055 0.000 2.096 251 Q HA -0.120 4.219 4.340 -0.000 0.000 0.197 251 Q C 2.330 178.305 176.000 -0.041 0.000 0.964 251 Q CA 1.116 56.890 55.803 -0.048 0.000 0.838 251 Q CB 0.076 28.789 28.738 -0.042 0.000 0.906 251 Q HN 0.533 nan 8.270 nan 0.000 0.444 252 R N 0.085 120.562 120.500 -0.039 0.000 2.307 252 R HA -0.012 4.328 4.340 -0.000 0.000 0.199 252 R C 2.286 178.565 176.300 -0.035 0.000 1.000 252 R CA 0.839 56.920 56.100 -0.032 0.000 1.023 252 R CB 0.092 30.375 30.300 -0.028 0.000 0.908 252 R HN 0.248 nan 8.270 nan 0.000 0.473 253 S N 0.344 116.018 115.700 -0.043 0.000 2.481 253 S HA -0.093 4.377 4.470 -0.000 0.000 0.231 253 S C 1.555 176.133 174.600 -0.037 0.000 0.996 253 S CA 0.658 58.832 58.200 -0.043 0.000 0.942 253 S CB 0.096 63.262 63.200 -0.055 0.000 0.768 253 S HN 0.318 nan 8.310 nan 0.000 0.520 254 E N 0.905 121.083 120.200 -0.037 0.000 2.268 254 E HA -0.055 4.295 4.350 -0.000 0.000 0.195 254 E C 0.789 177.377 176.600 -0.019 0.000 0.995 254 E CA 0.905 57.287 56.400 -0.030 0.000 0.836 254 E CB 0.072 29.753 29.700 -0.031 0.000 0.763 254 E HN 0.605 nan 8.360 nan 0.000 0.491 255 E N -0.323 119.866 120.200 -0.019 0.000 2.496 255 E HA 0.289 4.639 4.350 -0.000 0.000 0.202 255 E C -0.432 176.160 176.600 -0.013 0.000 1.021 255 E CA -0.098 56.294 56.400 -0.014 0.000 1.015 255 E CB 1.112 30.804 29.700 -0.014 0.000 1.102 255 E HN 0.070 nan 8.360 nan 0.000 0.452 256 A N 1.112 123.925 122.820 -0.012 0.000 2.498 256 A HA 0.378 4.698 4.320 -0.000 0.000 0.298 256 A C 0.616 178.205 177.584 0.008 0.000 1.075 256 A CA -0.576 51.455 52.037 -0.009 0.000 0.714 256 A CB 1.278 20.266 19.000 -0.021 0.000 1.299 256 A HN 0.059 nan 8.150 nan 0.000 0.407 257 Q N 0.157 119.971 119.800 0.023 0.000 2.376 257 Q HA 0.416 4.756 4.340 -0.000 0.000 0.206 257 Q C -0.227 175.824 176.000 0.085 0.000 0.921 257 Q CA 0.450 56.288 55.803 0.058 0.000 0.911 257 Q CB 0.248 29.027 28.738 0.069 0.000 1.032 257 Q HN 0.569 nan 8.270 nan 0.000 0.510 258 L N 0.755 122.011 121.223 0.054 0.000 2.493 258 L HA 0.511 4.851 4.340 -0.000 0.000 0.265 258 L C -1.755 175.112 176.870 -0.004 0.000 0.954 258 L CA -0.873 53.999 54.840 0.053 0.000 0.844 258 L CB 2.678 44.808 42.059 0.120 0.000 1.302 258 L HN -0.072 nan 8.230 nan 0.000 0.405 259 V N 4.943 124.842 119.914 -0.027 0.000 2.513 259 V HA 0.722 4.842 4.120 -0.000 0.000 0.299 259 V C -0.634 175.423 176.094 -0.062 0.000 1.035 259 V CA -0.680 61.590 62.300 -0.050 0.000 0.889 259 V CB 1.887 33.682 31.823 -0.048 0.000 0.988 259 V HN 0.526 nan 8.190 nan 0.000 0.440 260 V N 5.231 125.099 119.914 -0.077 0.000 2.531 260 V HA 0.762 4.882 4.120 -0.000 0.000 0.301 260 V C -0.368 175.674 176.094 -0.085 0.000 1.034 260 V CA -0.527 61.723 62.300 -0.083 0.000 0.865 260 V CB 1.932 33.697 31.823 -0.096 0.000 0.995 260 V HN 0.803 nan 8.190 nan 0.000 0.424 261 V N 1.497 121.366 119.914 -0.075 0.000 3.114 261 V HA 1.024 5.144 4.120 -0.000 0.000 0.308 261 V C 0.367 176.423 176.094 -0.064 0.000 1.168 261 V CA -0.380 61.878 62.300 -0.070 0.000 1.015 261 V CB 1.598 33.382 31.823 -0.066 0.000 1.050 261 V HN 0.918 nan 8.190 nan 0.000 0.433 262 G N 0.677 109.442 108.800 -0.058 0.000 2.621 262 G HA2 0.441 4.401 3.960 -0.000 0.000 0.271 262 G HA3 0.441 4.401 3.960 -0.000 0.000 0.271 262 G C 0.872 175.735 174.900 -0.062 0.000 1.236 262 G CA 0.131 45.199 45.100 -0.053 0.000 0.958 262 G HN 1.686 nan 8.290 nan 0.000 0.512 263 S N -1.362 114.299 115.700 -0.065 0.000 2.524 263 S HA 0.301 4.771 4.470 -0.000 0.000 0.216 263 S C 0.970 175.514 174.600 -0.093 0.000 0.987 263 S CA -0.016 58.135 58.200 -0.082 0.000 0.909 263 S CB 0.218 63.365 63.200 -0.088 0.000 0.781 263 S HN 0.389 nan 8.310 nan 0.000 0.521 264 R N -0.453 119.998 120.500 -0.081 0.000 2.869 264 R HA 0.812 5.152 4.340 -0.000 0.000 0.263 264 R C 0.081 176.340 176.300 -0.068 0.000 1.066 264 R CA -0.092 55.955 56.100 -0.089 0.000 0.960 264 R CB 1.293 31.540 30.300 -0.088 0.000 1.221 264 R HN 0.305 nan 8.270 nan 0.000 0.474 265 G N -0.422 108.336 108.800 -0.069 0.000 2.871 265 G HA2 0.272 4.232 3.960 -0.000 0.000 0.282 265 G HA3 0.272 4.232 3.960 -0.000 0.000 0.282 265 G C 0.109 174.985 174.900 -0.041 0.000 1.212 265 G CA -0.515 44.556 45.100 -0.048 0.000 0.812 265 G HN 0.334 nan 8.290 nan 0.000 0.547 266 R N -0.266 120.215 120.500 -0.032 0.000 2.096 266 R HA 0.026 4.366 4.340 -0.000 0.000 0.235 266 R C 1.939 178.218 176.300 -0.036 0.000 1.127 266 R CA 1.337 57.422 56.100 -0.025 0.000 0.968 266 R CB -0.375 29.911 30.300 -0.023 0.000 0.861 266 R HN 0.445 nan 8.270 nan 0.000 0.440 267 G N -0.521 108.248 108.800 -0.050 0.000 3.137 267 G HA2 0.432 4.392 3.960 -0.000 0.000 0.163 267 G HA3 0.432 4.392 3.960 -0.000 0.000 0.163 267 G C 0.229 175.090 174.900 -0.064 0.000 1.602 267 G CA 0.091 45.165 45.100 -0.045 0.000 1.067 267 G HN 0.509 nan 8.290 nan 0.000 0.568 268 G N -1.658 107.093 108.800 -0.081 0.000 2.645 268 G HA2 0.287 4.247 3.960 -0.000 0.000 0.239 268 G HA3 0.287 4.247 3.960 -0.000 0.000 0.239 268 G C -0.358 174.489 174.900 -0.088 0.000 1.331 268 G CA 0.566 45.525 45.100 -0.234 0.000 0.890 268 G HN 1.968 nan 8.290 nan 0.000 0.572 269 Y N -4.011 116.273 120.300 -0.025 0.000 2.725 269 Y HA 0.773 5.323 4.550 -0.000 0.000 0.333 269 Y C 0.246 176.134 175.900 -0.019 0.000 1.242 269 Y CA -0.958 57.130 58.100 -0.020 0.000 1.059 269 Y CB 0.483 38.932 38.460 -0.018 0.000 1.306 269 Y HN 1.861 nan 8.280 nan 0.000 0.454 270 A N 0.865 123.811 122.820 0.210 0.000 2.524 270 A HA 0.453 4.773 4.320 -0.000 0.000 0.250 270 A C 1.368 179.048 177.584 0.159 0.000 1.078 270 A CA 1.005 53.113 52.037 0.119 0.000 0.761 270 A CB -1.274 17.779 19.000 0.088 0.000 1.012 270 A HN 2.194 nan 8.150 nan 0.000 0.500 271 G N 1.515 110.355 108.800 0.066 0.000 2.213 271 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.236 271 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.236 271 G C 0.441 175.353 174.900 0.019 0.000 0.991 271 G CA 0.282 45.419 45.100 0.061 0.000 0.629 271 G HN 1.024 nan 8.290 nan 0.000 0.517 272 M N 1.410 120.962 119.600 -0.080 0.000 2.238 272 M HA 0.482 4.962 4.480 -0.000 0.000 0.350 272 M C 1.441 177.626 176.300 -0.192 0.000 1.321 272 M CA 0.149 55.302 55.300 -0.245 0.000 1.097 272 M CB 0.419 32.585 32.600 -0.723 0.000 1.713 272 M HN 0.207 nan 8.290 nan 0.000 0.455 273 L N 4.627 125.747 121.223 -0.172 0.000 2.316 273 L HA 0.266 4.606 4.340 -0.000 0.000 0.207 273 L C 0.268 177.023 176.870 -0.193 0.000 1.070 273 L CA -0.002 54.716 54.840 -0.203 0.000 0.820 273 L CB 0.389 42.282 42.059 -0.276 0.000 0.992 273 L HN 0.548 nan 8.230 nan 0.000 0.466 274 V N 0.146 119.958 119.914 -0.170 0.000 2.686 274 V HA 0.694 4.814 4.120 -0.000 0.000 0.306 274 V C -0.021 175.985 176.094 -0.146 0.000 1.065 274 V CA -0.671 61.542 62.300 -0.145 0.000 0.894 274 V CB 1.700 33.452 31.823 -0.119 0.000 1.004 274 V HN 0.134 nan 8.190 nan 0.000 0.424 275 G N 3.111 111.826 108.800 -0.141 0.000 2.636 275 G HA2 0.326 4.286 3.960 -0.000 0.000 0.246 275 G HA3 0.326 4.286 3.960 -0.000 0.000 0.246 275 G C 1.132 175.973 174.900 -0.099 0.000 1.216 275 G CA 0.299 45.316 45.100 -0.137 0.000 0.854 275 G HN 1.390 nan 8.290 nan 0.000 0.572 276 S N -0.418 115.232 115.700 -0.084 0.000 2.406 276 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 276 S C 2.163 176.725 174.600 -0.063 0.000 1.020 276 S CA 1.221 59.385 58.200 -0.060 0.000 0.965 276 S CB -0.149 63.027 63.200 -0.041 0.000 0.798 276 S HN 0.275 nan 8.310 nan 0.000 0.488 277 V N 2.304 122.175 119.914 -0.071 0.000 2.323 277 V HA 0.032 4.152 4.120 -0.000 0.000 0.244 277 V C 2.975 179.029 176.094 -0.068 0.000 1.041 277 V CA 1.708 63.965 62.300 -0.071 0.000 1.025 277 V CB -1.729 30.048 31.823 -0.077 0.000 0.656 277 V HN 0.618 nan 8.190 nan 0.000 0.451 278 G N -0.204 108.553 108.800 -0.071 0.000 2.491 278 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.218 278 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.218 278 G C 1.528 176.390 174.900 -0.064 0.000 1.180 278 G CA 1.184 46.242 45.100 -0.070 0.000 0.774 278 G HN 0.588 nan 8.290 nan 0.000 0.562 279 E N -0.283 119.879 120.200 -0.064 0.000 2.051 279 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 279 E C 2.537 179.109 176.600 -0.046 0.000 0.991 279 E CA 1.694 58.061 56.400 -0.055 0.000 0.799 279 E CB -0.229 29.439 29.700 -0.054 0.000 0.748 279 E HN 0.372 nan 8.360 nan 0.000 0.449 280 T N 0.193 114.718 114.554 -0.049 0.000 2.777 280 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 280 T C 1.900 176.572 174.700 -0.046 0.000 1.040 280 T CA 1.156 63.228 62.100 -0.048 0.000 1.141 280 T CB -0.122 68.714 68.868 -0.053 0.000 0.868 280 T HN 0.025 nan 8.240 nan 0.000 0.444 281 V N 1.768 121.653 119.914 -0.048 0.000 2.343 281 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 281 V C 2.902 178.985 176.094 -0.018 0.000 1.051 281 V CA 1.653 63.926 62.300 -0.045 0.000 1.036 281 V CB -1.192 30.600 31.823 -0.051 0.000 0.654 281 V HN 0.522 nan 8.190 nan 0.000 0.451 282 A N -0.817 121.994 122.820 -0.015 0.000 1.908 282 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 282 A C 2.179 179.822 177.584 0.099 0.000 1.181 282 A CA 2.097 54.143 52.037 0.015 0.000 0.627 282 A CB -0.433 18.545 19.000 -0.037 0.000 0.818 282 A HN 0.644 nan 8.150 nan 0.000 0.445 283 Q N -1.227 118.598 119.800 0.041 0.000 2.020 283 Q HA -0.003 4.337 4.340 -0.000 0.000 0.198 283 Q C 1.539 177.548 176.000 0.014 0.000 0.974 283 Q CA 1.030 56.862 55.803 0.047 0.000 0.829 283 Q CB -0.101 28.629 28.738 -0.014 0.000 0.894 283 Q HN 0.465 nan 8.270 nan 0.000 0.433 284 L N -0.437 120.752 121.223 -0.057 0.000 2.556 284 L HA 0.303 4.643 4.340 -0.000 0.000 0.226 284 L C 0.716 177.463 176.870 -0.204 0.000 1.089 284 L CA 0.124 54.889 54.840 -0.125 0.000 0.864 284 L CB -1.050 40.954 42.059 -0.091 0.000 1.067 284 L HN -0.001 nan 8.230 nan 0.000 0.477 285 A N 0.122 122.828 122.820 -0.191 0.000 2.507 285 A HA 0.070 4.390 4.320 -0.000 0.000 0.235 285 A C 1.227 178.595 177.584 -0.359 0.000 1.070 285 A CA 0.056 51.977 52.037 -0.194 0.000 0.768 285 A CB 0.248 19.200 19.000 -0.080 0.000 1.011 285 A HN 0.170 nan 8.150 nan 0.000 0.502 286 R N -0.070 120.302 120.500 -0.214 0.000 2.317 286 R HA 0.084 4.424 4.340 -0.000 0.000 0.208 286 R C 0.429 176.666 176.300 -0.106 0.000 0.914 286 R CA 1.071 57.056 56.100 -0.192 0.000 1.060 286 R CB -0.604 29.630 30.300 -0.110 0.000 1.015 286 R HN 0.964 nan 8.270 nan 0.000 0.498 287 T N -3.280 111.243 114.554 -0.052 0.000 2.838 287 T HA 0.518 4.868 4.350 -0.000 0.000 0.292 287 T C -3.015 171.739 174.700 0.089 0.000 1.113 287 T CA -2.425 59.696 62.100 0.036 0.000 1.008 287 T CB 2.500 71.380 68.868 0.019 0.000 1.259 287 T HN -0.299 nan 8.240 nan 0.000 0.520 288 P HA 0.296 nan 4.420 nan 0.000 0.264 288 P C -0.996 176.214 177.300 -0.150 0.000 1.183 288 P CA -0.203 62.784 63.100 -0.189 0.000 0.763 288 P CB 0.325 31.786 31.700 -0.399 0.000 0.807 289 V N 5.510 125.306 119.914 -0.196 0.000 2.487 289 V HA 0.373 4.493 4.120 -0.000 0.000 0.298 289 V C 0.233 176.213 176.094 -0.190 0.000 1.028 289 V CA -0.474 61.746 62.300 -0.134 0.000 0.860 289 V CB 1.713 33.502 31.823 -0.056 0.000 0.991 289 V HN 0.366 nan 8.190 nan 0.000 0.427 290 I N 4.964 125.451 120.570 -0.138 0.000 2.312 290 I HA 0.370 4.540 4.170 -0.000 0.000 0.290 290 I C -0.451 175.615 176.117 -0.086 0.000 1.008 290 I CA -0.674 60.556 61.300 -0.117 0.000 1.226 290 I CB 1.760 39.722 38.000 -0.063 0.000 1.371 290 I HN 0.274 nan 8.210 nan 0.000 0.468 291 V N 6.523 126.386 119.914 -0.085 0.000 2.318 291 V HA 0.350 4.470 4.120 -0.000 0.000 0.271 291 V C 0.744 176.804 176.094 -0.057 0.000 1.030 291 V CA -0.642 61.615 62.300 -0.072 0.000 0.844 291 V CB 1.135 32.911 31.823 -0.078 0.000 1.015 291 V HN 0.831 nan 8.190 nan 0.000 0.460 292 A N 7.111 129.902 122.820 -0.049 0.000 2.451 292 A HA 0.525 4.845 4.320 -0.000 0.000 0.266 292 A C 0.418 177.983 177.584 -0.033 0.000 1.119 292 A CA -0.068 51.950 52.037 -0.032 0.000 0.786 292 A CB -0.002 18.982 19.000 -0.027 0.000 1.061 292 A HN 0.831 nan 8.150 nan 0.000 0.503 293 R N 1.962 122.448 120.500 -0.024 0.000 2.599 293 R HA 0.560 4.900 4.340 -0.000 0.000 0.295 293 R C 0.490 176.789 176.300 -0.002 0.000 0.963 293 R CA -0.200 55.882 56.100 -0.030 0.000 0.883 293 R CB 1.381 31.649 30.300 -0.052 0.000 1.171 293 R HN 0.851 nan 8.270 nan 0.000 0.450 294 E N 0.000 120.200 120.200 -0.001 0.000 2.725 294 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 294 E CA 0.000 56.416 56.400 0.027 0.000 0.976 294 E CB 0.000 29.714 29.700 0.024 0.000 0.812 294 E HN 0.000 nan 8.360 nan 0.000 0.440