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 1iwe_1_B DATA FIRST_RESID 27 DATA SEQUENCE AATGSRVTVV LGAQWGDEGK GKVVDLLATD ADIVSRCQGG NNAGHTVVVD DATA SEQUENCE GKEYDFHLLP SGIINTKAVS FIGNGVVIHL PGLFEEAEKN EKKGLKDWEK DATA SEQUENCE RLIISDRAHL VFDFHQAVDG LQEVQRQAQE GKNIGTTKKG IGPTYSSKAA DATA SEQUENCE RTGLRICDLL SDFDEFSARF KNLAHQHQSM FPTLEIDVEG QLKRLKGFAE DATA SEQUENCE RIRPMVRDGV YFMYEALHGP PKKVLVEGAN AALLDIDFGT YPFVTSSNCT DATA SEQUENCE VGGVCTGLGI PPQNIGDVYG VVKAYTTRVG IGAFPTEQIN EIGDLLQNRG DATA SEQUENCE HEWGVTTGRK RRCGWLDLMI LRYAHMVNGF TALALTKLDI LDVLSEIKVG DATA SEQUENCE ISYKLNGKRI PYFPANQEIL QKVEVEYETL PGWKADTTGA RKWEDLPPQA DATA SEQUENCE QSYVRFVENH MGVAVKWVGV GKSRESMIQL F 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 27 A HA 0.000 nan 4.320 nan 0.000 0.244 27 A C 0.000 177.550 177.584 -0.056 0.000 1.274 27 A CA 0.000 52.005 52.037 -0.054 0.000 0.836 27 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 28 A N 0.879 123.687 122.820 -0.019 0.000 2.032 28 A HA -0.112 4.213 4.320 0.009 0.000 0.221 28 A C 2.253 179.858 177.584 0.035 0.000 1.165 28 A CA 3.047 55.095 52.037 0.019 0.000 0.645 28 A CB -1.448 17.573 19.000 0.035 0.000 0.807 28 A HN 1.438 nan 8.150 nan 0.000 0.453 29 T N -3.496 111.050 114.554 -0.013 0.000 2.881 29 T HA 0.360 4.715 4.350 0.009 0.000 0.270 29 T C 1.289 175.850 174.700 -0.232 0.000 1.068 29 T CA 1.282 63.369 62.100 -0.022 0.000 1.131 29 T CB -0.700 68.148 68.868 -0.033 0.000 0.871 29 T HN 2.045 nan 8.240 nan 0.000 0.479 30 G N 0.952 109.541 108.800 -0.351 0.000 2.592 30 G HA2 0.143 4.109 3.960 0.009 0.000 0.684 30 G HA3 0.143 4.109 3.960 0.009 0.000 0.684 30 G C -0.253 174.425 174.900 -0.369 0.000 1.291 30 G CA -0.423 44.298 45.100 -0.631 0.000 0.891 30 G HN 1.199 nan 8.290 nan 0.000 0.544 31 S N -0.650 114.839 115.700 -0.351 0.000 2.600 31 S HA 0.732 5.207 4.470 0.009 0.000 0.265 31 S C 0.436 174.927 174.600 -0.182 0.000 1.325 31 S CA 0.052 58.123 58.200 -0.214 0.000 1.002 31 S CB 1.264 64.354 63.200 -0.183 0.000 0.921 31 S HN 0.851 nan 8.310 nan 0.000 0.554 32 R N -0.084 120.344 120.500 -0.120 0.000 2.664 32 R HA 0.651 4.996 4.340 0.009 0.000 0.286 32 R C -0.534 175.726 176.300 -0.068 0.000 0.967 32 R CA -1.012 55.034 56.100 -0.090 0.000 0.933 32 R CB 1.718 31.975 30.300 -0.072 0.000 1.146 32 R HN 0.682 nan 8.270 nan 0.000 0.468 33 V N -1.061 118.822 119.914 -0.052 0.000 2.617 33 V HA 0.527 4.652 4.120 0.009 0.000 0.298 33 V C -0.101 175.973 176.094 -0.033 0.000 1.048 33 V CA -0.440 61.842 62.300 -0.031 0.000 0.964 33 V CB 1.800 33.618 31.823 -0.008 0.000 1.004 33 V HN 0.643 nan 8.190 nan 0.000 0.466 34 T N 3.861 118.404 114.554 -0.019 0.000 2.829 34 T HA 0.666 5.022 4.350 0.009 0.000 0.282 34 T C -0.314 174.380 174.700 -0.009 0.000 0.990 34 T CA -0.274 61.802 62.100 -0.040 0.000 1.028 34 T CB 1.347 70.231 68.868 0.027 0.000 0.951 34 T HN 0.756 nan 8.240 nan 0.000 0.460 35 V N 3.345 123.233 119.914 -0.043 0.000 2.680 35 V HA 0.571 4.696 4.120 0.009 0.000 0.309 35 V C -0.431 175.714 176.094 0.084 0.000 1.052 35 V CA -0.845 61.472 62.300 0.029 0.000 0.908 35 V CB 2.148 33.991 31.823 0.033 0.000 1.001 35 V HN 0.663 nan 8.190 nan 0.000 0.431 36 V N 5.752 125.737 119.914 0.119 0.000 2.378 36 V HA 0.558 4.683 4.120 0.009 0.000 0.288 36 V C -0.408 175.758 176.094 0.120 0.000 1.016 36 V CA -0.299 62.083 62.300 0.137 0.000 0.840 36 V CB 1.389 33.254 31.823 0.070 0.000 0.994 36 V HN 0.648 nan 8.190 nan 0.000 0.431 37 L N 3.408 124.719 121.223 0.147 0.000 2.354 37 L HA 0.793 5.138 4.340 0.009 0.000 0.264 37 L C 0.738 177.676 176.870 0.113 0.000 1.008 37 L CA -0.758 54.183 54.840 0.168 0.000 0.819 37 L CB 2.039 44.268 42.059 0.283 0.000 1.339 37 L HN 0.695 nan 8.230 nan 0.000 0.420 38 G N 0.067 108.936 108.800 0.116 0.000 2.370 38 G HA2 0.442 4.407 3.960 0.009 0.000 0.272 38 G HA3 0.442 4.407 3.960 0.009 0.000 0.272 38 G C 0.445 175.411 174.900 0.110 0.000 1.208 38 G CA 0.185 45.330 45.100 0.075 0.000 0.856 38 G HN 0.824 nan 8.290 nan 0.000 0.500 39 A N 2.060 124.910 122.820 0.050 0.000 2.267 39 A HA 0.315 4.640 4.320 0.009 0.000 0.213 39 A C 1.349 178.939 177.584 0.010 0.000 1.192 39 A CA 0.608 52.710 52.037 0.109 0.000 0.851 39 A CB 0.252 19.252 19.000 -0.001 0.000 0.881 39 A HN 0.668 nan 8.150 nan 0.000 0.494 40 Q N -2.311 117.470 119.800 -0.031 0.000 3.079 40 Q HA 0.252 4.597 4.340 0.009 0.000 0.206 40 Q C -0.116 175.796 176.000 -0.145 0.000 1.168 40 Q CA -0.640 55.082 55.803 -0.135 0.000 0.338 40 Q CB 0.349 29.070 28.738 -0.027 0.000 5.762 40 Q HN 0.599 nan 8.270 nan 0.000 0.302 41 W N 1.294 122.591 121.300 -0.004 0.000 3.015 41 W HA 0.458 5.123 4.660 0.008 0.000 0.429 41 W C 0.045 176.572 176.519 0.012 0.000 0.976 41 W CA 0.847 58.190 57.345 -0.004 0.000 2.086 41 W CB 0.271 29.686 29.460 -0.076 0.000 1.125 41 W HN 0.752 nan 8.180 nan 0.000 0.721 42 G N 1.414 110.333 108.800 0.198 0.000 2.712 42 G HA2 -0.218 3.747 3.960 0.009 0.000 0.683 42 G HA3 -0.218 3.747 3.960 0.009 0.000 0.683 42 G C 0.023 174.989 174.900 0.110 0.000 1.320 42 G CA -0.445 44.747 45.100 0.154 0.000 0.847 42 G HN 0.180 nan 8.290 nan 0.000 0.553 43 D N -0.851 119.608 120.400 0.098 0.000 2.708 43 D HA -0.154 4.491 4.640 0.009 0.000 0.236 43 D C 1.061 177.363 176.300 0.003 0.000 1.146 43 D CA 1.632 55.666 54.000 0.057 0.000 0.662 43 D CB -0.741 40.091 40.800 0.053 0.000 1.059 43 D HN 0.729 nan 8.370 nan 0.000 0.428 44 E N -0.138 120.055 120.200 -0.012 0.000 2.299 44 E HA 0.265 4.620 4.350 0.009 0.000 0.193 44 E C 1.653 178.204 176.600 -0.081 0.000 0.998 44 E CA 0.924 57.288 56.400 -0.060 0.000 0.851 44 E CB 0.311 29.980 29.700 -0.053 0.000 0.795 44 E HN 0.510 nan 8.360 nan 0.000 0.492 45 G N 0.901 109.653 108.800 -0.081 0.000 2.337 45 G HA2 -0.205 3.760 3.960 0.009 0.000 0.134 45 G HA3 -0.205 3.760 3.960 0.009 0.000 0.134 45 G C 0.512 175.319 174.900 -0.154 0.000 1.052 45 G CA 0.060 45.102 45.100 -0.097 0.000 0.737 45 G HN 0.122 nan 8.290 nan 0.000 0.485 46 K N -0.064 120.194 120.400 -0.237 0.000 2.155 46 K HA 0.059 4.384 4.320 0.009 0.000 0.203 46 K C 2.725 179.085 176.600 -0.400 0.000 1.052 46 K CA 0.978 57.042 56.287 -0.372 0.000 0.948 46 K CB -0.081 32.083 32.500 -0.560 0.000 0.728 46 K HN 0.410 nan 8.250 nan 0.000 0.448 47 G N 2.495 111.083 108.800 -0.352 0.000 2.469 47 G HA2 -0.332 3.633 3.960 0.009 0.000 0.219 47 G HA3 -0.332 3.633 3.960 0.009 0.000 0.219 47 G C 1.473 176.328 174.900 -0.074 0.000 1.150 47 G CA 1.079 46.115 45.100 -0.105 0.000 0.763 47 G HN 0.273 nan 8.290 nan 0.000 0.561 48 K N -0.006 120.334 120.400 -0.100 0.000 2.026 48 K HA -0.036 4.289 4.320 0.009 0.000 0.208 48 K C 2.539 179.030 176.600 -0.181 0.000 1.048 48 K CA 1.415 57.638 56.287 -0.105 0.000 0.929 48 K CB -0.264 32.176 32.500 -0.099 0.000 0.713 48 K HN 0.186 nan 8.250 nan 0.000 0.439 49 V N 0.812 120.584 119.914 -0.236 0.000 2.358 49 V HA -0.205 3.920 4.120 0.009 0.000 0.246 49 V C 2.356 178.263 176.094 -0.311 0.000 1.047 49 V CA 1.398 63.483 62.300 -0.357 0.000 1.035 49 V CB -0.109 31.505 31.823 -0.349 0.000 0.658 49 V HN 0.175 nan 8.190 nan 0.000 0.452 50 V N 0.800 120.593 119.914 -0.201 0.000 2.261 50 V HA -0.326 3.799 4.120 0.009 0.000 0.246 50 V C 2.362 178.386 176.094 -0.117 0.000 1.047 50 V CA 2.581 64.803 62.300 -0.129 0.000 1.015 50 V CB -0.712 31.071 31.823 -0.068 0.000 0.642 50 V HN 0.736 nan 8.190 nan 0.000 0.446 51 D N -0.340 120.004 120.400 -0.092 0.000 2.116 51 D HA -0.232 4.413 4.640 0.009 0.000 0.193 51 D C 1.996 178.235 176.300 -0.101 0.000 0.998 51 D CA 1.639 55.600 54.000 -0.065 0.000 0.836 51 D CB -0.182 40.612 40.800 -0.010 0.000 0.951 51 D HN 0.265 nan 8.370 nan 0.000 0.449 52 L N 0.128 121.252 121.223 -0.165 0.000 2.012 52 L HA -0.075 4.270 4.340 0.009 0.000 0.210 52 L C 2.122 178.875 176.870 -0.195 0.000 1.073 52 L CA 1.631 56.348 54.840 -0.205 0.000 0.748 52 L CB -0.537 41.313 42.059 -0.347 0.000 0.891 52 L HN 0.239 nan 8.230 nan 0.000 0.431 53 L N -0.883 120.198 121.223 -0.236 0.000 2.376 53 L HA -0.055 4.290 4.340 0.009 0.000 0.219 53 L C 2.474 179.305 176.870 -0.066 0.000 1.133 53 L CA 0.722 55.472 54.840 -0.149 0.000 0.816 53 L CB -0.769 41.203 42.059 -0.146 0.000 0.933 53 L HN 0.344 nan 8.230 nan 0.000 0.449 54 A N 0.147 122.925 122.820 -0.069 0.000 2.016 54 A HA -0.139 4.186 4.320 0.009 0.000 0.217 54 A C 2.417 179.981 177.584 -0.033 0.000 1.162 54 A CA 1.468 53.478 52.037 -0.044 0.000 0.662 54 A CB -0.802 18.165 19.000 -0.055 0.000 0.812 54 A HN 0.494 nan 8.150 nan 0.000 0.450 55 T N -0.373 114.159 114.554 -0.037 0.000 2.755 55 T HA -0.258 4.097 4.350 0.009 0.000 0.266 55 T C 0.891 175.584 174.700 -0.012 0.000 1.041 55 T CA 1.838 63.924 62.100 -0.022 0.000 1.147 55 T CB -0.490 68.365 68.868 -0.021 0.000 0.847 55 T HN 0.656 nan 8.240 nan 0.000 0.478 56 D N 0.518 120.913 120.400 -0.009 0.000 2.740 56 D HA 0.500 5.145 4.640 0.009 0.000 0.301 56 D C -0.064 176.235 176.300 -0.002 0.000 1.408 56 D CA -0.418 53.580 54.000 -0.003 0.000 0.808 56 D CB -0.184 40.618 40.800 0.003 0.000 1.128 56 D HN 0.629 nan 8.370 nan 0.000 0.465 57 A N 0.162 122.979 122.820 -0.005 0.000 2.310 57 A HA 0.391 4.716 4.320 0.009 0.000 0.299 57 A C 0.730 178.311 177.584 -0.004 0.000 1.147 57 A CA -0.504 51.531 52.037 -0.003 0.000 0.818 57 A CB 0.880 19.880 19.000 -0.001 0.000 1.096 57 A HN 0.019 nan 8.150 nan 0.000 0.495 58 D N 0.390 120.785 120.400 -0.008 0.000 2.213 58 D HA 0.078 4.723 4.640 0.009 0.000 0.205 58 D C 0.137 176.442 176.300 0.009 0.000 0.961 58 D CA 1.355 55.349 54.000 -0.010 0.000 0.853 58 D CB 0.278 41.058 40.800 -0.033 0.000 0.967 58 D HN 0.352 nan 8.370 nan 0.000 0.496 59 I N 1.169 121.747 120.570 0.014 0.000 2.607 59 I HA 0.234 4.409 4.170 0.009 0.000 0.290 59 I C -0.603 175.550 176.117 0.061 0.000 1.129 59 I CA -0.752 60.581 61.300 0.055 0.000 1.042 59 I CB 2.329 40.357 38.000 0.047 0.000 1.242 59 I HN -0.390 nan 8.210 nan 0.000 0.421 60 V N 4.754 124.716 119.914 0.081 0.000 2.531 60 V HA 0.723 4.848 4.120 0.009 0.000 0.301 60 V C -0.071 176.090 176.094 0.112 0.000 1.034 60 V CA -0.425 61.913 62.300 0.062 0.000 0.865 60 V CB 1.944 33.769 31.823 0.003 0.000 0.995 60 V HN 0.938 nan 8.190 nan 0.000 0.424 61 S N 4.867 120.646 115.700 0.130 0.000 2.588 61 S HA 0.769 5.244 4.470 0.009 0.000 0.275 61 S C -1.086 173.572 174.600 0.096 0.000 1.130 61 S CA -1.162 57.138 58.200 0.166 0.000 0.855 61 S CB 2.651 66.080 63.200 0.382 0.000 1.116 61 S HN 0.481 nan 8.310 nan 0.000 0.472 62 R N 0.533 121.055 120.500 0.036 0.000 2.407 62 R HA 0.484 4.829 4.340 0.009 0.000 0.303 62 R C 0.617 176.925 176.300 0.013 0.000 0.981 62 R CA -0.368 55.741 56.100 0.014 0.000 0.905 62 R CB 0.959 31.236 30.300 -0.038 0.000 1.099 62 R HN 1.020 nan 8.270 nan 0.000 0.459 63 C N -0.401 118.929 119.300 0.050 0.000 3.188 63 C HA 0.392 4.857 4.460 0.009 0.000 0.315 63 C C 0.260 175.287 174.990 0.062 0.000 1.285 63 C CA -0.295 58.761 59.018 0.063 0.000 1.729 63 C CB 0.548 28.346 27.740 0.096 0.000 2.257 63 C HN 0.499 nan 8.230 nan 0.000 0.645 64 Q N 0.318 120.156 119.800 0.064 0.000 2.626 64 Q HA 0.569 4.914 4.340 0.009 0.000 0.300 64 Q C 0.060 176.121 176.000 0.102 0.000 0.988 64 Q CA 0.694 56.552 55.803 0.091 0.000 0.761 64 Q CB 1.474 30.254 28.738 0.069 0.000 1.494 64 Q HN 0.912 nan 8.270 nan 0.000 0.439 65 G N -0.529 108.381 108.800 0.183 0.000 2.782 65 G HA2 0.029 3.995 3.960 0.009 0.000 0.228 65 G HA3 0.029 3.995 3.960 0.009 0.000 0.228 65 G C -0.087 174.896 174.900 0.138 0.000 1.372 65 G CA -0.245 44.968 45.100 0.188 0.000 0.862 65 G HN 0.877 nan 8.290 nan 0.000 0.547 66 G N -1.048 107.809 108.800 0.095 0.000 3.119 66 G HA2 0.624 4.590 3.960 0.009 0.000 0.206 66 G HA3 0.624 4.590 3.960 0.009 0.000 0.206 66 G C 0.507 175.412 174.900 0.007 0.000 1.313 66 G CA 0.450 45.561 45.100 0.018 0.000 1.010 66 G HN 1.611 nan 8.290 nan 0.000 0.578 67 N N 0.422 119.122 118.700 0.000 0.000 3.259 67 N HA 0.056 4.801 4.740 0.009 0.000 0.308 67 N C -0.091 175.447 175.510 0.046 0.000 1.334 67 N CA -0.456 52.611 53.050 0.028 0.000 1.202 67 N CB -0.125 38.375 38.487 0.023 0.000 1.485 67 N HN 0.460 nan 8.380 nan 0.000 0.549 68 N N -1.274 117.456 118.700 0.051 0.000 2.387 68 N HA 0.175 4.921 4.740 0.009 0.000 0.259 68 N C 0.651 176.207 175.510 0.077 0.000 1.369 68 N CA -0.298 52.791 53.050 0.066 0.000 0.867 68 N CB 0.140 38.649 38.487 0.036 0.000 1.341 68 N HN 0.138 nan 8.380 nan 0.000 0.495 69 A N 1.055 123.882 122.820 0.013 0.000 1.858 69 A HA 0.293 4.618 4.320 0.009 0.000 0.216 69 A C 1.828 179.354 177.584 -0.096 0.000 1.190 69 A CA 1.623 53.545 52.037 -0.193 0.000 0.617 69 A CB -1.389 17.311 19.000 -0.499 0.000 0.827 69 A HN 1.055 nan 8.150 nan 0.000 0.443 70 G N -0.831 107.977 108.800 0.013 0.000 2.249 70 G HA2 -0.278 3.687 3.960 0.009 0.000 0.273 70 G HA3 -0.278 3.687 3.960 0.009 0.000 0.273 70 G C -0.058 174.885 174.900 0.072 0.000 1.036 70 G CA 0.540 45.677 45.100 0.062 0.000 0.824 70 G HN 0.925 nan 8.290 nan 0.000 0.504 71 H N 0.159 119.209 119.070 -0.034 0.000 2.683 71 H HA 0.401 4.963 4.556 0.009 0.000 0.339 71 H C 0.289 175.602 175.328 -0.026 0.000 1.081 71 H CA 0.291 56.344 56.048 0.009 0.000 1.432 71 H CB 0.835 30.639 29.762 0.071 0.000 1.462 71 H HN 0.170 nan 8.280 nan 0.000 0.557 72 T N 3.872 118.486 114.554 0.099 0.000 2.771 72 T HA 0.325 4.681 4.350 0.009 0.000 0.281 72 T C -0.346 174.387 174.700 0.055 0.000 0.982 72 T CA -0.699 61.414 62.100 0.021 0.000 0.978 72 T CB 1.054 69.919 68.868 -0.005 0.000 0.930 72 T HN 0.204 nan 8.240 nan 0.000 0.447 73 V N 3.946 123.911 119.914 0.085 0.000 2.487 73 V HA 0.524 4.650 4.120 0.009 0.000 0.298 73 V C -0.498 175.676 176.094 0.134 0.000 1.028 73 V CA -0.758 61.637 62.300 0.158 0.000 0.860 73 V CB 2.026 34.051 31.823 0.336 0.000 0.991 73 V HN 0.693 nan 8.190 nan 0.000 0.427 74 V N 5.712 125.676 119.914 0.083 0.000 2.349 74 V HA 0.602 4.727 4.120 0.009 0.000 0.284 74 V C -0.531 175.600 176.094 0.061 0.000 1.014 74 V CA -0.391 61.933 62.300 0.039 0.000 0.826 74 V CB 1.729 33.553 31.823 0.001 0.000 1.009 74 V HN 0.616 nan 8.190 nan 0.000 0.431 75 V N 3.173 123.141 119.914 0.090 0.000 2.808 75 V HA 0.509 4.634 4.120 0.009 0.000 0.308 75 V C -0.216 175.922 176.094 0.075 0.000 1.099 75 V CA -0.832 61.526 62.300 0.096 0.000 0.920 75 V CB 2.077 33.990 31.823 0.149 0.000 1.014 75 V HN 0.907 nan 8.190 nan 0.000 0.425 76 D N 3.676 124.105 120.400 0.049 0.000 2.689 76 D HA -0.212 4.433 4.640 0.009 0.000 0.237 76 D C 1.309 177.616 176.300 0.011 0.000 1.148 76 D CA 1.645 55.667 54.000 0.037 0.000 0.656 76 D CB -0.887 39.947 40.800 0.057 0.000 1.050 76 D HN 1.502 nan 8.370 nan 0.000 0.426 77 G N -0.438 108.359 108.800 -0.005 0.000 2.435 77 G HA2 -0.393 3.572 3.960 0.009 0.000 0.245 77 G HA3 -0.393 3.572 3.960 0.009 0.000 0.245 77 G C 0.485 175.342 174.900 -0.071 0.000 1.073 77 G CA 0.879 45.963 45.100 -0.026 0.000 0.638 77 G HN 0.494 nan 8.290 nan 0.000 0.521 78 K N 1.198 121.531 120.400 -0.111 0.000 2.237 78 K HA 0.478 4.803 4.320 0.009 0.000 0.270 78 K C -0.090 176.304 176.600 -0.343 0.000 1.015 78 K CA -0.052 56.068 56.287 -0.278 0.000 0.949 78 K CB 1.212 33.450 32.500 -0.436 0.000 0.976 78 K HN 0.385 nan 8.250 nan 0.000 0.472 79 E N 2.723 122.670 120.200 -0.421 0.000 2.182 79 E HA 0.180 4.535 4.350 0.009 0.000 0.258 79 E C -1.523 174.825 176.600 -0.421 0.000 0.879 79 E CA -0.559 55.658 56.400 -0.306 0.000 0.754 79 E CB 0.629 30.236 29.700 -0.155 0.000 1.162 79 E HN 0.343 nan 8.360 nan 0.000 0.419 80 Y N 1.903 122.102 120.300 -0.169 0.000 2.387 80 Y HA 0.383 4.937 4.550 0.008 0.000 0.330 80 Y C 0.121 175.649 175.900 -0.620 0.000 1.133 80 Y CA -0.654 57.201 58.100 -0.409 0.000 1.152 80 Y CB 1.359 39.556 38.460 -0.440 0.000 1.215 80 Y HN 0.381 nan 8.280 nan 0.000 0.466 81 D N 2.384 122.388 120.400 -0.661 0.000 2.629 81 D HA 0.345 4.990 4.640 0.009 0.000 0.250 81 D C -1.424 174.265 176.300 -1.018 0.000 1.126 81 D CA -0.238 53.375 54.000 -0.645 0.000 0.852 81 D CB 1.757 42.372 40.800 -0.308 0.000 1.335 81 D HN 0.220 nan 8.370 nan 0.000 0.518 82 F N 1.131 120.854 119.950 -0.377 0.000 2.520 82 F HA 0.331 4.862 4.527 0.008 0.000 0.322 82 F C 1.358 176.780 175.800 -0.631 0.000 1.103 82 F CA -0.657 57.096 58.000 -0.412 0.000 0.926 82 F CB 1.683 40.566 39.000 -0.194 0.000 1.154 82 F HN 0.340 nan 8.300 nan 0.000 0.453 83 H N 1.589 120.699 119.070 0.066 0.000 2.326 83 H HA 0.225 4.787 4.556 0.009 0.000 0.272 83 H C 1.384 176.676 175.328 -0.060 0.000 0.949 83 H CA 0.418 56.448 56.048 -0.030 0.000 1.175 83 H CB 0.868 30.612 29.762 -0.030 0.000 1.462 83 H HN 0.429 nan 8.280 nan 0.000 0.514 84 L N 0.947 122.202 121.223 0.053 0.000 2.577 84 L HA 0.302 4.647 4.340 0.009 0.000 0.225 84 L C 0.438 177.258 176.870 -0.082 0.000 1.053 84 L CA 0.464 55.284 54.840 -0.034 0.000 0.866 84 L CB 0.025 42.048 42.059 -0.059 0.000 1.132 84 L HN -0.003 nan 8.230 nan 0.000 0.486 85 L N 2.055 123.228 121.223 -0.084 0.000 2.439 85 L HA 0.202 4.547 4.340 0.009 0.000 0.269 85 L C -1.984 174.763 176.870 -0.205 0.000 1.179 85 L CA -1.523 53.223 54.840 -0.158 0.000 0.828 85 L CB 0.373 42.315 42.059 -0.195 0.000 1.106 85 L HN -0.004 nan 8.230 nan 0.000 0.467 86 P HA 0.081 nan 4.420 nan 0.000 0.271 86 P C 0.083 177.103 177.300 -0.466 0.000 1.216 86 P CA -0.020 62.952 63.100 -0.212 0.000 0.771 86 P CB 0.911 32.538 31.700 -0.122 0.000 0.864 87 S N 2.209 117.683 115.700 -0.378 0.000 2.500 87 S HA -0.081 4.394 4.470 0.009 0.000 0.239 87 S C 1.896 176.199 174.600 -0.495 0.000 0.989 87 S CA 1.347 59.198 58.200 -0.582 0.000 0.951 87 S CB -0.690 62.515 63.200 0.010 0.000 0.759 87 S HN 0.727 nan 8.310 nan 0.000 0.523 88 G N 0.594 109.206 108.800 -0.313 0.000 3.088 88 G HA2 0.049 4.014 3.960 0.009 0.000 0.212 88 G HA3 0.049 4.014 3.960 0.009 0.000 0.212 88 G C 1.051 175.812 174.900 -0.231 0.000 1.173 88 G CA -0.244 44.733 45.100 -0.205 0.000 0.779 88 G HN 0.474 nan 8.290 nan 0.000 0.540 89 I N 0.181 120.521 120.570 -0.384 0.000 2.614 89 I HA -0.028 4.147 4.170 0.009 0.000 0.258 89 I C 2.153 178.137 176.117 -0.221 0.000 1.189 89 I CA 0.580 61.712 61.300 -0.280 0.000 1.462 89 I CB 0.049 37.829 38.000 -0.367 0.000 1.092 89 I HN 0.113 nan 8.210 nan 0.000 0.442 90 I N 0.558 120.945 120.570 -0.304 0.000 2.614 90 I HA -0.179 3.996 4.170 0.009 0.000 0.258 90 I C 1.047 177.096 176.117 -0.113 0.000 1.189 90 I CA 0.692 61.855 61.300 -0.228 0.000 1.462 90 I CB -0.749 37.091 38.000 -0.266 0.000 1.092 90 I HN 0.266 nan 8.210 nan 0.000 0.442 91 N N 0.152 118.796 118.700 -0.092 0.000 2.402 91 N HA -0.018 4.727 4.740 0.009 0.000 0.252 91 N C 1.179 176.675 175.510 -0.023 0.000 1.118 91 N CA 0.613 53.637 53.050 -0.044 0.000 0.945 91 N CB 0.774 39.236 38.487 -0.040 0.000 1.147 91 N HN 0.226 nan 8.380 nan 0.000 0.495 92 T N 0.666 115.217 114.554 -0.006 0.000 3.051 92 T HA -0.066 4.289 4.350 0.009 0.000 0.269 92 T C 1.295 176.001 174.700 0.010 0.000 1.127 92 T CA 0.867 62.973 62.100 0.009 0.000 1.107 92 T CB 0.080 68.959 68.868 0.018 0.000 0.898 92 T HN 0.500 nan 8.240 nan 0.000 0.517 93 K N 0.889 121.292 120.400 0.005 0.000 2.393 93 K HA 0.452 4.777 4.320 0.009 0.000 0.193 93 K C 0.555 177.160 176.600 0.009 0.000 1.026 93 K CA -0.004 56.287 56.287 0.007 0.000 1.064 93 K CB 0.183 32.685 32.500 0.004 0.000 0.833 93 K HN 0.461 nan 8.250 nan 0.000 0.521 94 A N 0.718 123.543 122.820 0.008 0.000 2.330 94 A HA 0.536 4.862 4.320 0.009 0.000 0.329 94 A C -0.887 176.718 177.584 0.036 0.000 1.135 94 A CA -0.654 51.393 52.037 0.017 0.000 0.817 94 A CB 1.688 20.692 19.000 0.005 0.000 1.269 94 A HN -0.018 nan 8.150 nan 0.000 0.469 95 V N 1.726 121.679 119.914 0.066 0.000 2.407 95 V HA 0.341 4.466 4.120 0.009 0.000 0.278 95 V C 0.399 176.562 176.094 0.116 0.000 1.037 95 V CA -0.183 62.180 62.300 0.105 0.000 0.900 95 V CB 1.334 33.265 31.823 0.180 0.000 0.983 95 V HN 0.852 nan 8.190 nan 0.000 0.459 96 S N 5.251 121.006 115.700 0.092 0.000 2.499 96 S HA 0.592 5.067 4.470 0.009 0.000 0.279 96 S C -0.697 173.997 174.600 0.157 0.000 1.219 96 S CA -0.229 58.019 58.200 0.080 0.000 1.062 96 S CB 0.549 63.748 63.200 -0.001 0.000 0.978 96 S HN 0.535 nan 8.310 nan 0.000 0.489 97 F N 3.551 123.493 119.950 -0.013 0.000 2.507 97 F HA 0.639 5.171 4.527 0.008 0.000 0.325 97 F C -1.332 174.451 175.800 -0.029 0.000 1.116 97 F CA -1.325 56.656 58.000 -0.033 0.000 0.930 97 F CB 0.763 39.793 39.000 0.050 0.000 1.146 97 F HN 0.310 nan 8.300 nan 0.000 0.447 98 I N 5.601 125.716 120.570 -0.759 0.000 2.359 98 I HA 0.421 4.596 4.170 0.009 0.000 0.284 98 I C 0.733 176.264 176.117 -0.977 0.000 1.018 98 I CA -0.380 60.544 61.300 -0.625 0.000 1.173 98 I CB 0.864 38.646 38.000 -0.364 0.000 1.326 98 I HN 0.687 nan 8.210 nan 0.000 0.462 99 G N 4.713 113.109 108.800 -0.673 0.000 2.653 99 G HA2 0.039 4.004 3.960 0.009 0.000 0.265 99 G HA3 0.039 4.004 3.960 0.009 0.000 0.265 99 G C 0.960 175.759 174.900 -0.169 0.000 1.237 99 G CA -0.336 44.529 45.100 -0.391 0.000 0.946 99 G HN 0.730 nan 8.290 nan 0.000 0.522 100 N N -0.455 118.241 118.700 -0.008 0.000 2.396 100 N HA -0.074 4.671 4.740 0.009 0.000 0.180 100 N C 1.877 177.431 175.510 0.073 0.000 1.028 100 N CA 1.075 54.151 53.050 0.043 0.000 0.893 100 N CB -0.167 38.380 38.487 0.099 0.000 0.967 100 N HN 0.504 nan 8.380 nan 0.000 0.440 101 G N 0.952 109.798 108.800 0.077 0.000 2.744 101 G HA2 0.087 4.052 3.960 0.009 0.000 0.211 101 G HA3 0.087 4.052 3.960 0.009 0.000 0.211 101 G C 0.588 175.566 174.900 0.130 0.000 1.143 101 G CA -0.080 45.090 45.100 0.117 0.000 0.788 101 G HN 0.156 nan 8.290 nan 0.000 0.534 102 V N 0.891 120.831 119.914 0.043 0.000 2.732 102 V HA 0.360 4.485 4.120 0.009 0.000 0.297 102 V C 0.398 176.448 176.094 -0.074 0.000 1.060 102 V CA -0.741 61.561 62.300 0.004 0.000 1.038 102 V CB 1.605 33.391 31.823 -0.062 0.000 1.003 102 V HN 0.187 nan 8.190 nan 0.000 0.481 103 V N 3.179 123.006 119.914 -0.145 0.000 2.384 103 V HA 0.652 4.778 4.120 0.009 0.000 0.287 103 V C -0.511 175.476 176.094 -0.179 0.000 1.020 103 V CA -0.539 61.603 62.300 -0.263 0.000 0.850 103 V CB 1.146 32.649 31.823 -0.533 0.000 0.987 103 V HN 0.628 nan 8.190 nan 0.000 0.436 104 I N 5.078 125.546 120.570 -0.171 0.000 2.354 104 I HA 0.420 4.595 4.170 0.009 0.000 0.292 104 I C -0.044 175.999 176.117 -0.122 0.000 0.989 104 I CA -0.406 60.808 61.300 -0.142 0.000 1.188 104 I CB 1.280 39.190 38.000 -0.149 0.000 1.342 104 I HN 0.778 nan 8.210 nan 0.000 0.457 105 H N 7.107 126.057 119.070 -0.200 0.000 2.685 105 H HA 0.309 4.870 4.556 0.008 0.000 0.286 105 H C 0.586 175.775 175.328 -0.232 0.000 1.102 105 H CA -0.572 55.360 56.048 -0.194 0.000 1.254 105 H CB 1.179 30.856 29.762 -0.142 0.000 1.397 105 H HN 0.701 nan 8.280 nan 0.000 0.473 106 L N 5.685 126.600 121.223 -0.513 0.000 2.013 106 L HA -0.153 4.192 4.340 0.009 0.000 0.212 106 L C -0.722 175.583 176.870 -0.941 0.000 1.073 106 L CA 1.167 55.579 54.840 -0.714 0.000 0.753 106 L CB -1.479 40.060 42.059 -0.867 0.000 0.890 106 L HN 0.529 nan 8.230 nan 0.000 0.432 107 P HA -0.147 nan 4.420 nan 0.000 0.215 107 P C 1.616 178.759 177.300 -0.262 0.000 1.157 107 P CA 1.822 64.606 63.100 -0.527 0.000 0.868 107 P CB -0.215 31.264 31.700 -0.369 0.000 0.788 108 G N -0.060 108.539 108.800 -0.334 0.000 2.442 108 G HA2 -0.263 3.703 3.960 0.009 0.000 0.219 108 G HA3 -0.263 3.703 3.960 0.009 0.000 0.219 108 G C 1.462 176.307 174.900 -0.092 0.000 1.141 108 G CA 0.659 45.739 45.100 -0.033 0.000 0.763 108 G HN 0.203 nan 8.290 nan 0.000 0.554 109 L N 0.024 121.123 121.223 -0.205 0.000 1.956 109 L HA 0.028 4.374 4.340 0.009 0.000 0.216 109 L C 2.555 179.221 176.870 -0.341 0.000 1.073 109 L CA 1.832 56.486 54.840 -0.310 0.000 0.762 109 L CB -0.960 40.819 42.059 -0.467 0.000 0.889 109 L HN 0.224 nan 8.230 nan 0.000 0.433 110 F N 0.063 119.961 119.950 -0.088 0.000 2.293 110 F HA -0.127 4.405 4.527 0.009 0.000 0.300 110 F C 2.566 178.367 175.800 0.001 0.000 1.086 110 F CA 1.383 59.397 58.000 0.024 0.000 1.375 110 F CB -0.442 38.691 39.000 0.222 0.000 1.045 110 F HN 0.367 nan 8.300 nan 0.000 0.516 111 E N 0.695 120.978 120.200 0.138 0.000 2.152 111 E HA -0.227 4.128 4.350 0.009 0.000 0.192 111 E C 2.119 178.735 176.600 0.028 0.000 0.983 111 E CA 1.063 57.520 56.400 0.095 0.000 0.818 111 E CB -0.143 29.605 29.700 0.080 0.000 0.758 111 E HN 0.551 nan 8.360 nan 0.000 0.467 112 E N -0.039 120.146 120.200 -0.026 0.000 2.072 112 E HA -0.147 4.208 4.350 0.009 0.000 0.190 112 E C 1.932 178.454 176.600 -0.131 0.000 0.982 112 E CA 0.850 57.233 56.400 -0.028 0.000 0.803 112 E CB -0.082 29.616 29.700 -0.003 0.000 0.755 112 E HN 0.337 nan 8.360 nan 0.000 0.453 113 A N 1.170 123.799 122.820 -0.318 0.000 1.930 113 A HA -0.197 4.128 4.320 0.009 0.000 0.217 113 A C 1.883 179.300 177.584 -0.279 0.000 1.175 113 A CA 1.517 53.175 52.037 -0.632 0.000 0.627 113 A CB -0.409 17.722 19.000 -1.447 0.000 0.815 113 A HN 0.296 nan 8.150 nan 0.000 0.443 114 E N -0.098 120.075 120.200 -0.045 0.000 2.072 114 E HA -0.159 4.196 4.350 0.009 0.000 0.191 114 E C 2.020 178.653 176.600 0.056 0.000 0.985 114 E CA 1.188 57.635 56.400 0.079 0.000 0.801 114 E CB -0.138 29.642 29.700 0.133 0.000 0.750 114 E HN 0.568 nan 8.360 nan 0.000 0.452 115 K N 0.682 121.101 120.400 0.031 0.000 2.063 115 K HA -0.110 4.215 4.320 0.009 0.000 0.208 115 K C 1.892 178.517 176.600 0.042 0.000 1.048 115 K CA 1.134 57.442 56.287 0.034 0.000 0.928 115 K CB -0.077 32.438 32.500 0.026 0.000 0.713 115 K HN 0.079 nan 8.250 nan 0.000 0.442 116 N N 0.974 119.694 118.700 0.035 0.000 2.270 116 N HA -0.157 4.588 4.740 0.009 0.000 0.181 116 N C 1.738 177.332 175.510 0.139 0.000 1.016 116 N CA 0.792 53.907 53.050 0.108 0.000 0.870 116 N CB 0.025 38.578 38.487 0.110 0.000 0.979 116 N HN 0.353 nan 8.380 nan 0.000 0.431 117 E N 1.746 122.002 120.200 0.094 0.000 2.058 117 E HA -0.152 4.203 4.350 0.009 0.000 0.194 117 E C 1.098 177.784 176.600 0.142 0.000 0.997 117 E CA 1.158 57.650 56.400 0.154 0.000 0.801 117 E CB 0.110 29.931 29.700 0.201 0.000 0.746 117 E HN 0.233 nan 8.360 nan 0.000 0.450 118 K N 0.013 120.479 120.400 0.110 0.000 2.574 118 K HA -0.061 4.264 4.320 0.009 0.000 0.193 118 K C 1.420 178.069 176.600 0.081 0.000 1.035 118 K CA 0.576 56.915 56.287 0.087 0.000 0.982 118 K CB 0.131 32.671 32.500 0.066 0.000 0.795 118 K HN 0.077 nan 8.250 nan 0.000 0.491 119 K N -0.701 119.765 120.400 0.109 0.000 2.358 119 K HA 0.073 4.398 4.320 0.009 0.000 0.197 119 K C 0.858 177.560 176.600 0.169 0.000 1.025 119 K CA 0.433 56.780 56.287 0.101 0.000 1.104 119 K CB 1.146 33.698 32.500 0.087 0.000 0.855 119 K HN 0.290 nan 8.250 nan 0.000 0.531 120 G N 1.282 110.189 108.800 0.179 0.000 2.284 120 G HA2 -0.195 3.770 3.960 0.009 0.000 0.201 120 G HA3 -0.195 3.770 3.960 0.009 0.000 0.201 120 G C -0.085 174.928 174.900 0.189 0.000 0.998 120 G CA -0.602 44.606 45.100 0.180 0.000 0.651 120 G HN 0.192 nan 8.290 nan 0.000 0.489 121 L N 1.501 122.851 121.223 0.212 0.000 2.455 121 L HA 0.518 4.863 4.340 0.009 0.000 0.272 121 L C 0.125 177.125 176.870 0.216 0.000 1.174 121 L CA 0.387 55.328 54.840 0.170 0.000 0.869 121 L CB 0.413 42.552 42.059 0.133 0.000 1.130 121 L HN 0.175 nan 8.230 nan 0.000 0.474 122 K N 3.676 124.195 120.400 0.197 0.000 2.477 122 K HA 0.258 4.583 4.320 0.009 0.000 0.255 122 K C -0.654 176.034 176.600 0.147 0.000 0.952 122 K CA -0.932 55.466 56.287 0.185 0.000 0.826 122 K CB 1.729 34.298 32.500 0.115 0.000 1.331 122 K HN 0.578 nan 8.250 nan 0.000 0.437 123 D N 1.158 121.596 120.400 0.063 0.000 2.882 123 D HA -0.209 4.436 4.640 0.009 0.000 0.229 123 D C 1.094 177.355 176.300 -0.065 0.000 1.167 123 D CA 1.033 54.999 54.000 -0.057 0.000 0.759 123 D CB -0.599 40.189 40.800 -0.020 0.000 1.088 123 D HN 0.777 nan 8.370 nan 0.000 0.425 124 W N 1.684 122.993 121.300 0.016 0.000 2.338 124 W HA -0.211 4.454 4.660 0.008 0.000 0.304 124 W C 1.650 178.166 176.519 -0.004 0.000 1.212 124 W CA 1.338 58.679 57.345 -0.007 0.000 1.264 124 W CB -0.907 28.546 29.460 -0.011 0.000 1.142 124 W HN 0.101 nan 8.180 nan 0.000 0.512 125 E N 1.716 121.320 120.200 -0.992 0.000 2.267 125 E HA -0.220 4.135 4.350 0.009 0.000 0.197 125 E C 1.351 177.761 176.600 -0.317 0.000 0.998 125 E CA 1.354 57.236 56.400 -0.863 0.000 0.830 125 E CB -0.636 28.406 29.700 -1.098 0.000 0.751 125 E HN 0.190 nan 8.360 nan 0.000 0.491 126 K N 0.753 121.021 120.400 -0.221 0.000 2.418 126 K HA 0.030 4.355 4.320 0.009 0.000 0.195 126 K C 1.416 177.996 176.600 -0.033 0.000 1.035 126 K CA 0.655 56.880 56.287 -0.103 0.000 1.003 126 K CB 0.201 32.651 32.500 -0.082 0.000 0.793 126 K HN 0.314 nan 8.250 nan 0.000 0.494 127 R N -0.166 120.332 120.500 -0.003 0.000 2.659 127 R HA 0.278 4.623 4.340 0.009 0.000 0.418 127 R C -0.779 175.558 176.300 0.061 0.000 1.076 127 R CA -0.414 55.709 56.100 0.038 0.000 1.093 127 R CB -0.069 30.257 30.300 0.043 0.000 1.400 127 R HN -0.097 nan 8.270 nan 0.000 0.583 128 L N 1.484 122.739 121.223 0.054 0.000 2.325 128 L HA 0.575 4.920 4.340 0.009 0.000 0.281 128 L C -1.186 175.696 176.870 0.020 0.000 1.004 128 L CA -0.902 53.978 54.840 0.067 0.000 0.823 128 L CB 1.468 43.614 42.059 0.145 0.000 1.236 128 L HN 0.180 nan 8.230 nan 0.000 0.415 129 I N 5.834 126.411 120.570 0.012 0.000 2.441 129 I HA 0.451 4.627 4.170 0.009 0.000 0.295 129 I C -0.728 175.337 176.117 -0.086 0.000 0.994 129 I CA -0.674 60.597 61.300 -0.048 0.000 1.144 129 I CB 1.829 39.713 38.000 -0.194 0.000 1.314 129 I HN 0.398 nan 8.210 nan 0.000 0.445 130 I N 4.365 124.864 120.570 -0.118 0.000 2.406 130 I HA 0.197 4.372 4.170 0.009 0.000 0.290 130 I C 0.361 176.389 176.117 -0.148 0.000 0.999 130 I CA -0.403 60.779 61.300 -0.196 0.000 1.124 130 I CB 1.690 39.616 38.000 -0.124 0.000 1.289 130 I HN 0.482 nan 8.210 nan 0.000 0.441 131 S N 3.825 119.379 115.700 -0.243 0.000 2.533 131 S HA 0.013 4.488 4.470 0.009 0.000 0.282 131 S C 1.084 175.668 174.600 -0.027 0.000 1.304 131 S CA -0.383 57.785 58.200 -0.053 0.000 1.063 131 S CB 0.310 63.471 63.200 -0.066 0.000 0.881 131 S HN 0.626 nan 8.310 nan 0.000 0.493 132 D N 4.238 124.653 120.400 0.026 0.000 2.378 132 D HA -0.065 4.580 4.640 0.009 0.000 0.227 132 D C 1.163 177.467 176.300 0.007 0.000 1.012 132 D CA 0.665 54.673 54.000 0.014 0.000 0.905 132 D CB -0.080 40.738 40.800 0.030 0.000 0.895 132 D HN 0.571 nan 8.370 nan 0.000 0.532 133 R N -0.241 120.271 120.500 0.020 0.000 2.362 133 R HA 0.405 4.750 4.340 0.009 0.000 0.227 133 R C 0.472 176.780 176.300 0.012 0.000 0.905 133 R CA -0.008 56.104 56.100 0.020 0.000 1.067 133 R CB 0.665 31.004 30.300 0.066 0.000 1.078 133 R HN 0.107 nan 8.270 nan 0.000 0.516 134 A N 1.260 124.072 122.820 -0.013 0.000 2.425 134 A HA 0.121 4.446 4.320 0.009 0.000 0.249 134 A C -0.350 177.210 177.584 -0.040 0.000 1.084 134 A CA -0.083 51.950 52.037 -0.007 0.000 0.781 134 A CB 0.162 19.119 19.000 -0.071 0.000 1.019 134 A HN 0.222 nan 8.150 nan 0.000 0.490 135 H N 0.743 119.742 119.070 -0.119 0.000 2.547 135 H HA 0.339 4.900 4.556 0.008 0.000 0.362 135 H C -0.551 174.636 175.328 -0.235 0.000 1.181 135 H CA -0.010 55.944 56.048 -0.157 0.000 1.376 135 H CB 1.002 30.640 29.762 -0.207 0.000 1.488 135 H HN 0.498 nan 8.280 nan 0.000 0.583 136 L N 2.340 123.442 121.223 -0.202 0.000 2.289 136 L HA 0.194 4.539 4.340 0.009 0.000 0.285 136 L C -0.167 176.321 176.870 -0.636 0.000 1.049 136 L CA -0.724 53.864 54.840 -0.420 0.000 0.804 136 L CB 1.492 43.229 42.059 -0.537 0.000 1.195 136 L HN 0.210 nan 8.230 nan 0.000 0.428 137 V N 4.148 123.786 119.914 -0.460 0.000 2.364 137 V HA 0.275 4.400 4.120 0.009 0.000 0.272 137 V C 0.006 175.957 176.094 -0.240 0.000 1.036 137 V CA -0.274 61.803 62.300 -0.372 0.000 0.880 137 V CB 0.634 32.320 31.823 -0.228 0.000 0.991 137 V HN 0.337 nan 8.190 nan 0.000 0.460 138 F N 2.413 122.395 119.950 0.054 0.000 2.380 138 F HA 0.368 4.900 4.527 0.009 0.000 0.321 138 F C 1.504 177.148 175.800 -0.259 0.000 1.103 138 F CA -0.956 56.923 58.000 -0.202 0.000 1.067 138 F CB 0.523 38.998 39.000 -0.875 0.000 1.265 138 F HN 0.448 nan 8.300 nan 0.000 0.517 139 D N 0.780 121.268 120.400 0.147 0.000 2.149 139 D HA -0.224 4.421 4.640 0.009 0.000 0.198 139 D C 1.991 178.321 176.300 0.049 0.000 0.990 139 D CA 1.700 55.776 54.000 0.127 0.000 0.839 139 D CB -0.453 40.496 40.800 0.247 0.000 0.948 139 D HN 0.495 nan 8.370 nan 0.000 0.460 140 F N -0.459 119.543 119.950 0.086 0.000 2.407 140 F HA 0.059 4.592 4.527 0.009 0.000 0.299 140 F C 2.063 177.810 175.800 -0.089 0.000 1.097 140 F CA 0.782 58.746 58.000 -0.060 0.000 1.422 140 F CB -1.248 37.636 39.000 -0.194 0.000 1.067 140 F HN 0.067 nan 8.300 nan 0.000 0.539 141 H N 0.154 119.182 119.070 -0.070 0.000 2.389 141 H HA -0.068 4.493 4.556 0.009 0.000 0.299 141 H C 2.130 177.449 175.328 -0.014 0.000 1.081 141 H CA 1.779 57.837 56.048 0.016 0.000 1.345 141 H CB -0.022 29.659 29.762 -0.136 0.000 1.393 141 H HN 0.389 nan 8.280 nan 0.000 0.520 142 Q N -0.112 119.701 119.800 0.023 0.000 2.079 142 Q HA -0.083 4.262 4.340 0.009 0.000 0.200 142 Q C 2.641 178.632 176.000 -0.016 0.000 0.974 142 Q CA 0.931 56.701 55.803 -0.054 0.000 0.840 142 Q CB -0.031 28.601 28.738 -0.178 0.000 0.898 142 Q HN 0.484 nan 8.270 nan 0.000 0.430 143 A N 0.657 123.486 122.820 0.014 0.000 1.902 143 A HA -0.135 4.190 4.320 0.009 0.000 0.217 143 A C 2.350 179.889 177.584 -0.075 0.000 1.181 143 A CA 1.337 53.369 52.037 -0.009 0.000 0.623 143 A CB -0.682 18.339 19.000 0.034 0.000 0.818 143 A HN 0.201 nan 8.150 nan 0.000 0.443 144 V N 0.576 120.476 119.914 -0.023 0.000 2.407 144 V HA -0.229 3.897 4.120 0.009 0.000 0.248 144 V C 2.399 178.427 176.094 -0.110 0.000 1.055 144 V CA 2.214 64.446 62.300 -0.113 0.000 1.049 144 V CB -0.724 31.191 31.823 0.152 0.000 0.662 144 V HN 0.623 nan 8.190 nan 0.000 0.455 145 D N 0.855 121.249 120.400 -0.009 0.000 2.087 145 D HA -0.146 4.499 4.640 0.009 0.000 0.192 145 D C 2.228 178.500 176.300 -0.045 0.000 0.993 145 D CA 1.912 55.912 54.000 -0.001 0.000 0.828 145 D CB -0.505 40.300 40.800 0.008 0.000 0.968 145 D HN 0.374 nan 8.370 nan 0.000 0.448 146 G N 0.487 109.248 108.800 -0.065 0.000 2.440 146 G HA2 -0.233 3.732 3.960 0.009 0.000 0.218 146 G HA3 -0.233 3.732 3.960 0.009 0.000 0.218 146 G C 1.746 176.580 174.900 -0.110 0.000 1.154 146 G CA 0.758 45.818 45.100 -0.067 0.000 0.767 146 G HN 0.293 nan 8.290 nan 0.000 0.552 147 L N 0.534 121.616 121.223 -0.234 0.000 2.017 147 L HA -0.082 4.263 4.340 0.009 0.000 0.208 147 L C 3.119 179.835 176.870 -0.256 0.000 1.073 147 L CA 1.791 56.408 54.840 -0.372 0.000 0.745 147 L CB -0.765 40.769 42.059 -0.875 0.000 0.894 147 L HN 0.335 nan 8.230 nan 0.000 0.432 148 Q N -1.345 118.317 119.800 -0.230 0.000 2.170 148 Q HA -0.251 4.094 4.340 0.009 0.000 0.203 148 Q C 2.056 178.109 176.000 0.090 0.000 0.976 148 Q CA 1.414 57.297 55.803 0.134 0.000 0.858 148 Q CB -0.083 28.759 28.738 0.173 0.000 0.907 148 Q HN 0.405 nan 8.270 nan 0.000 0.433 149 E N 0.263 120.477 120.200 0.023 0.000 2.072 149 E HA -0.108 4.247 4.350 0.009 0.000 0.190 149 E C 1.869 178.490 176.600 0.035 0.000 0.982 149 E CA 0.745 57.163 56.400 0.030 0.000 0.803 149 E CB 0.071 29.779 29.700 0.013 0.000 0.755 149 E HN 0.095 nan 8.360 nan 0.000 0.453 150 V N 0.967 120.894 119.914 0.021 0.000 2.307 150 V HA -0.254 3.871 4.120 0.009 0.000 0.245 150 V C 2.532 178.661 176.094 0.060 0.000 1.045 150 V CA 2.128 64.447 62.300 0.031 0.000 1.024 150 V CB -0.636 31.197 31.823 0.015 0.000 0.651 150 V HN 0.394 nan 8.190 nan 0.000 0.449 151 Q N 0.765 120.624 119.800 0.098 0.000 1.956 151 Q HA -0.318 4.027 4.340 0.009 0.000 0.208 151 Q C 2.479 178.535 176.000 0.092 0.000 0.998 151 Q CA 2.554 58.437 55.803 0.133 0.000 0.855 151 Q CB -0.335 28.554 28.738 0.252 0.000 0.928 151 Q HN 0.538 nan 8.270 nan 0.000 0.418 152 R N -0.035 120.521 120.500 0.093 0.000 2.154 152 R HA -0.277 4.068 4.340 0.009 0.000 0.248 152 R C 2.393 178.725 176.300 0.053 0.000 1.155 152 R CA 2.046 58.185 56.100 0.065 0.000 0.979 152 R CB -0.240 30.095 30.300 0.059 0.000 0.869 152 R HN 0.379 nan 8.270 nan 0.000 0.452 153 Q N 0.735 120.566 119.800 0.053 0.000 1.975 153 Q HA -0.088 4.257 4.340 0.009 0.000 0.205 153 Q C 0.505 176.529 176.000 0.040 0.000 0.990 153 Q CA 2.105 57.935 55.803 0.045 0.000 0.845 153 Q CB -0.356 28.405 28.738 0.038 0.000 0.913 153 Q HN 0.385 nan 8.270 nan 0.000 0.420 154 A N 0.353 123.197 122.820 0.041 0.000 3.168 154 A HA 0.262 4.587 4.320 0.009 0.000 0.260 154 A C 0.442 178.048 177.584 0.036 0.000 1.598 154 A CA -0.048 52.011 52.037 0.035 0.000 1.285 154 A CB 0.026 19.046 19.000 0.034 0.000 1.149 154 A HN 0.485 nan 8.150 nan 0.000 0.630 155 Q N -0.599 119.222 119.800 0.034 0.000 2.135 155 Q HA 0.001 4.346 4.340 0.009 0.000 0.175 155 Q C 0.369 176.385 176.000 0.027 0.000 0.703 155 Q CA 0.739 56.560 55.803 0.030 0.000 0.834 155 Q CB 0.302 29.061 28.738 0.035 0.000 1.229 155 Q HN 0.761 nan 8.270 nan 0.000 0.388 156 E N -0.507 119.712 120.200 0.032 0.000 2.583 156 E HA 0.309 4.664 4.350 0.009 0.000 0.213 156 E C 0.671 177.293 176.600 0.037 0.000 0.989 156 E CA 0.362 56.782 56.400 0.032 0.000 0.991 156 E CB 1.286 31.005 29.700 0.032 0.000 1.040 156 E HN 0.530 nan 8.360 nan 0.000 0.481 157 G N 1.808 110.629 108.800 0.035 0.000 2.267 157 G HA2 -0.258 3.707 3.960 0.009 0.000 0.257 157 G HA3 -0.258 3.707 3.960 0.009 0.000 0.257 157 G C 0.351 175.275 174.900 0.040 0.000 0.998 157 G CA 0.576 45.696 45.100 0.034 0.000 0.620 157 G HN 0.077 nan 8.290 nan 0.000 0.529 158 K N 0.182 120.613 120.400 0.053 0.000 2.568 158 K HA 0.425 4.750 4.320 0.009 0.000 0.273 158 K C -0.374 176.275 176.600 0.082 0.000 0.951 158 K CA -0.243 56.085 56.287 0.068 0.000 0.854 158 K CB 1.727 34.278 32.500 0.085 0.000 1.424 158 K HN 0.417 nan 8.250 nan 0.000 0.427 159 N N -0.070 118.685 118.700 0.091 0.000 2.813 159 N HA 0.367 5.112 4.740 0.009 0.000 0.320 159 N C 0.764 176.362 175.510 0.148 0.000 1.315 159 N CA -0.725 52.377 53.050 0.088 0.000 0.871 159 N CB 0.451 38.976 38.487 0.063 0.000 1.241 159 N HN 0.264 nan 8.380 nan 0.000 0.602 160 I N -0.986 119.644 120.570 0.099 0.000 2.761 160 I HA 0.134 4.310 4.170 0.009 0.000 0.261 160 I C 1.023 177.259 176.117 0.200 0.000 1.198 160 I CA 1.236 62.615 61.300 0.132 0.000 1.482 160 I CB -1.780 36.215 38.000 -0.008 0.000 1.100 160 I HN 0.948 nan 8.210 nan 0.000 0.445 161 G N 2.354 111.223 108.800 0.115 0.000 2.171 161 G HA2 -0.244 3.721 3.960 0.009 0.000 0.238 161 G HA3 -0.244 3.721 3.960 0.009 0.000 0.238 161 G C 0.564 175.503 174.900 0.065 0.000 1.039 161 G CA 0.557 45.706 45.100 0.081 0.000 0.759 161 G HN 0.526 nan 8.290 nan 0.000 0.501 162 T N -2.696 111.891 114.554 0.055 0.000 2.748 162 T HA 0.470 4.825 4.350 0.009 0.000 0.304 162 T C 1.833 176.552 174.700 0.031 0.000 1.041 162 T CA 1.131 63.257 62.100 0.044 0.000 1.033 162 T CB 1.070 69.959 68.868 0.034 0.000 0.995 162 T HN 1.197 nan 8.240 nan 0.000 0.536 163 T N -2.407 112.162 114.554 0.025 0.000 3.129 163 T HA 0.175 4.530 4.350 0.009 0.000 0.251 163 T C 0.708 175.403 174.700 -0.008 0.000 1.117 163 T CA -0.290 61.817 62.100 0.011 0.000 1.034 163 T CB -0.728 68.146 68.868 0.010 0.000 0.968 163 T HN 0.876 nan 8.240 nan 0.000 0.526 164 K N 0.435 120.831 120.400 -0.006 0.000 3.069 164 K HA -0.137 4.188 4.320 0.009 0.000 0.267 164 K C 0.198 176.769 176.600 -0.048 0.000 1.082 164 K CA 0.538 56.812 56.287 -0.021 0.000 0.782 164 K CB -0.820 31.668 32.500 -0.021 0.000 1.230 164 K HN 0.293 nan 8.250 nan 0.000 0.488 165 K N -0.124 120.244 120.400 -0.053 0.000 2.446 165 K HA 0.094 4.420 4.320 0.009 0.000 0.203 165 K C 1.171 177.695 176.600 -0.125 0.000 1.027 165 K CA 0.795 57.021 56.287 -0.101 0.000 1.166 165 K CB 0.766 33.220 32.500 -0.077 0.000 0.869 165 K HN 0.525 nan 8.250 nan 0.000 0.504 166 G N 1.988 110.745 108.800 -0.073 0.000 2.187 166 G HA2 -0.309 3.657 3.960 0.009 0.000 0.261 166 G HA3 -0.309 3.657 3.960 0.009 0.000 0.261 166 G C 0.975 175.832 174.900 -0.072 0.000 1.000 166 G CA 0.645 45.717 45.100 -0.047 0.000 0.718 166 G HN 0.390 nan 8.290 nan 0.000 0.519 167 I N 0.514 121.062 120.570 -0.037 0.000 2.142 167 I HA -0.056 4.119 4.170 0.009 0.000 0.240 167 I C 3.054 179.227 176.117 0.094 0.000 1.078 167 I CA 1.663 62.965 61.300 0.004 0.000 1.343 167 I CB -0.692 37.367 38.000 0.099 0.000 1.046 167 I HN 0.252 nan 8.210 nan 0.000 0.405 168 G N 1.679 110.545 108.800 0.111 0.000 2.480 168 G HA2 -0.185 3.781 3.960 0.009 0.000 0.216 168 G HA3 -0.185 3.781 3.960 0.009 0.000 0.216 168 G C -0.546 174.427 174.900 0.121 0.000 1.200 168 G CA 0.900 46.081 45.100 0.136 0.000 0.782 168 G HN 0.300 nan 8.290 nan 0.000 0.554 169 P HA -0.047 nan 4.420 nan 0.000 0.216 169 P C 2.020 179.354 177.300 0.056 0.000 1.150 169 P CA 1.750 64.978 63.100 0.213 0.000 0.837 169 P CB -0.185 31.738 31.700 0.372 0.000 0.786 170 T N -1.865 112.496 114.554 -0.320 0.000 2.737 170 T HA -0.161 4.194 4.350 0.009 0.000 0.265 170 T C 1.470 175.949 174.700 -0.368 0.000 1.038 170 T CA 1.325 63.008 62.100 -0.694 0.000 1.144 170 T CB -1.060 67.356 68.868 -0.752 0.000 0.866 170 T HN 0.066 nan 8.240 nan 0.000 0.434 171 Y N 1.164 121.367 120.300 -0.163 0.000 2.352 171 Y HA -0.031 4.524 4.550 0.008 0.000 0.292 171 Y C 2.981 178.837 175.900 -0.072 0.000 1.136 171 Y CA 0.527 58.547 58.100 -0.133 0.000 1.227 171 Y CB -0.547 37.860 38.460 -0.088 0.000 0.991 171 Y HN 0.153 nan 8.280 nan 0.000 0.545 172 S N -1.050 114.724 115.700 0.123 0.000 2.368 172 S HA -0.173 4.302 4.470 0.009 0.000 0.224 172 S C 2.338 177.008 174.600 0.116 0.000 1.029 172 S CA 1.576 59.847 58.200 0.119 0.000 0.988 172 S CB -0.351 62.934 63.200 0.141 0.000 0.838 172 S HN 0.438 nan 8.310 nan 0.000 0.462 173 S N 0.996 116.788 115.700 0.152 0.000 2.383 173 S HA -0.059 4.416 4.470 0.009 0.000 0.227 173 S C 1.800 176.474 174.600 0.123 0.000 1.026 173 S CA 1.210 59.541 58.200 0.218 0.000 0.981 173 S CB -0.287 63.163 63.200 0.416 0.000 0.818 173 S HN 0.573 nan 8.310 nan 0.000 0.472 174 K N 1.738 122.124 120.400 -0.024 0.000 2.009 174 K HA -0.125 4.200 4.320 0.009 0.000 0.210 174 K C 2.219 178.813 176.600 -0.011 0.000 1.049 174 K CA 1.408 57.590 56.287 -0.174 0.000 0.929 174 K CB -0.444 31.751 32.500 -0.508 0.000 0.714 174 K HN 0.275 nan 8.250 nan 0.000 0.440 175 A N 0.816 123.646 122.820 0.017 0.000 1.940 175 A HA -0.113 4.213 4.320 0.009 0.000 0.219 175 A C 2.267 179.883 177.584 0.053 0.000 1.176 175 A CA 1.960 54.021 52.037 0.039 0.000 0.631 175 A CB -0.807 18.218 19.000 0.042 0.000 0.814 175 A HN 0.529 nan 8.150 nan 0.000 0.446 176 A N -1.669 121.192 122.820 0.068 0.000 2.168 176 A HA 0.192 4.517 4.320 0.009 0.000 0.215 176 A C 1.261 178.894 177.584 0.083 0.000 1.152 176 A CA 1.080 53.159 52.037 0.070 0.000 0.716 176 A CB -0.217 18.828 19.000 0.076 0.000 0.794 176 A HN 0.530 nan 8.150 nan 0.000 0.465 177 R N -2.044 118.520 120.500 0.107 0.000 3.878 177 R HA -0.140 4.205 4.340 0.009 0.000 0.330 177 R C 0.874 177.255 176.300 0.134 0.000 1.186 177 R CA 1.362 57.539 56.100 0.128 0.000 0.885 177 R CB -3.046 27.310 30.300 0.093 0.000 1.377 177 R HN 0.706 nan 8.270 nan 0.000 0.523 178 T N -4.185 110.462 114.554 0.155 0.000 3.023 178 T HA 0.290 4.645 4.350 0.009 0.000 0.253 178 T C 1.137 175.972 174.700 0.226 0.000 1.038 178 T CA 0.143 62.336 62.100 0.155 0.000 0.962 178 T CB 0.712 69.666 68.868 0.143 0.000 1.018 178 T HN 0.416 nan 8.240 nan 0.000 0.521 179 G N 1.334 110.306 108.800 0.287 0.000 2.569 179 G HA2 0.574 4.539 3.960 0.009 0.000 0.249 179 G HA3 0.574 4.539 3.960 0.009 0.000 0.249 179 G C -0.669 174.395 174.900 0.274 0.000 1.216 179 G CA -0.702 44.620 45.100 0.371 0.000 0.845 179 G HN 0.459 nan 8.290 nan 0.000 0.568 180 L N 0.557 121.951 121.223 0.285 0.000 2.331 180 L HA 0.599 4.945 4.340 0.009 0.000 0.275 180 L C 0.593 177.465 176.870 0.002 0.000 1.022 180 L CA -0.847 54.119 54.840 0.209 0.000 0.812 180 L CB 1.874 44.210 42.059 0.462 0.000 1.257 180 L HN 0.515 nan 8.230 nan 0.000 0.435 181 R N 1.359 121.829 120.500 -0.049 0.000 2.902 181 R HA 0.453 4.799 4.340 0.009 0.000 0.258 181 R C 0.711 177.011 176.300 -0.000 0.000 1.071 181 R CA -1.101 54.904 56.100 -0.159 0.000 1.024 181 R CB 1.346 31.477 30.300 -0.282 0.000 1.184 181 R HN 0.418 nan 8.270 nan 0.000 0.492 182 I N 1.192 121.740 120.570 -0.037 0.000 2.118 182 I HA -0.342 3.833 4.170 0.009 0.000 0.241 182 I C 2.691 178.816 176.117 0.013 0.000 1.070 182 I CA 1.702 62.996 61.300 -0.010 0.000 1.327 182 I CB -1.292 36.691 38.000 -0.029 0.000 1.034 182 I HN 0.831 nan 8.210 nan 0.000 0.405 183 C N 0.437 119.745 119.300 0.014 0.000 2.411 183 C HA -0.142 4.323 4.460 0.009 0.000 0.279 183 C C 2.222 177.249 174.990 0.062 0.000 1.288 183 C CA 0.525 59.562 59.018 0.031 0.000 1.764 183 C CB -1.312 26.445 27.740 0.027 0.000 1.974 183 C HN 0.454 nan 8.230 nan 0.000 0.498 184 D N 0.886 121.346 120.400 0.100 0.000 2.149 184 D HA -0.053 4.592 4.640 0.009 0.000 0.201 184 D C 2.181 178.613 176.300 0.221 0.000 0.972 184 D CA 0.888 55.009 54.000 0.202 0.000 0.835 184 D CB -0.455 40.517 40.800 0.286 0.000 0.966 184 D HN 0.563 nan 8.370 nan 0.000 0.476 185 L N 0.201 121.461 121.223 0.062 0.000 2.141 185 L HA -0.135 4.210 4.340 0.009 0.000 0.209 185 L C 1.664 178.457 176.870 -0.127 0.000 1.094 185 L CA 0.697 55.348 54.840 -0.315 0.000 0.763 185 L CB 0.110 42.040 42.059 -0.214 0.000 0.908 185 L HN -0.001 nan 8.230 nan 0.000 0.437 186 L N -1.117 120.097 121.223 -0.015 0.000 2.558 186 L HA 0.094 4.439 4.340 0.009 0.000 0.225 186 L C 1.520 178.418 176.870 0.046 0.000 1.128 186 L CA 0.567 55.416 54.840 0.015 0.000 0.868 186 L CB -0.174 41.893 42.059 0.014 0.000 1.006 186 L HN 0.069 nan 8.230 nan 0.000 0.454 187 S N -1.309 114.434 115.700 0.071 0.000 2.481 187 S HA 0.054 4.529 4.470 0.009 0.000 0.267 187 S C -0.117 174.555 174.600 0.119 0.000 1.174 187 S CA -0.677 57.574 58.200 0.085 0.000 1.027 187 S CB 0.230 63.484 63.200 0.090 0.000 1.117 187 S HN 0.230 nan 8.310 nan 0.000 0.495 188 D N 0.089 120.560 120.400 0.117 0.000 2.451 188 D HA -0.016 4.629 4.640 0.009 0.000 0.254 188 D C 0.380 176.801 176.300 0.201 0.000 1.204 188 D CA 0.192 54.275 54.000 0.138 0.000 0.896 188 D CB 0.007 40.869 40.800 0.103 0.000 1.136 188 D HN 0.324 nan 8.370 nan 0.000 0.499 189 F N 3.218 123.211 119.950 0.071 0.000 2.186 189 F HA -0.137 4.395 4.527 0.008 0.000 0.299 189 F C 1.765 177.667 175.800 0.169 0.000 1.090 189 F CA 1.237 59.302 58.000 0.108 0.000 1.307 189 F CB 0.093 39.109 39.000 0.026 0.000 1.019 189 F HN 0.449 nan 8.300 nan 0.000 0.489 190 D N 0.073 120.591 120.400 0.196 0.000 2.104 190 D HA -0.218 4.427 4.640 0.009 0.000 0.194 190 D C 2.117 178.437 176.300 0.032 0.000 0.994 190 D CA 1.560 55.622 54.000 0.102 0.000 0.830 190 D CB -0.423 40.438 40.800 0.101 0.000 0.959 190 D HN 0.295 nan 8.370 nan 0.000 0.452 191 E N 0.184 120.416 120.200 0.055 0.000 2.110 191 E HA -0.147 4.208 4.350 0.009 0.000 0.193 191 E C 1.901 178.499 176.600 -0.002 0.000 0.988 191 E CA 0.519 56.938 56.400 0.032 0.000 0.804 191 E CB -0.547 29.187 29.700 0.057 0.000 0.745 191 E HN 0.283 nan 8.360 nan 0.000 0.458 192 F N 0.596 120.463 119.950 -0.139 0.000 2.095 192 F HA -0.206 4.326 4.527 0.009 0.000 0.298 192 F C 2.251 177.902 175.800 -0.248 0.000 1.104 192 F CA 1.897 59.777 58.000 -0.200 0.000 1.232 192 F CB -0.567 38.227 39.000 -0.342 0.000 0.987 192 F HN -0.036 nan 8.300 nan 0.000 0.475 193 S N 0.757 116.277 115.700 -0.300 0.000 2.359 193 S HA -0.233 4.242 4.470 0.009 0.000 0.224 193 S C 2.332 176.829 174.600 -0.172 0.000 1.035 193 S CA 1.210 59.243 58.200 -0.278 0.000 1.018 193 S CB -1.050 62.056 63.200 -0.156 0.000 0.876 193 S HN 0.578 nan 8.310 nan 0.000 0.448 194 A N 1.816 124.563 122.820 -0.120 0.000 1.908 194 A HA -0.141 4.184 4.320 0.009 0.000 0.218 194 A C 2.194 179.703 177.584 -0.125 0.000 1.181 194 A CA 1.456 53.446 52.037 -0.079 0.000 0.627 194 A CB -0.473 18.503 19.000 -0.040 0.000 0.818 194 A HN 0.415 nan 8.150 nan 0.000 0.445 195 R N -2.146 118.244 120.500 -0.182 0.000 2.066 195 R HA -0.065 4.280 4.340 0.009 0.000 0.232 195 R C 2.037 178.181 176.300 -0.261 0.000 1.131 195 R CA 1.463 57.447 56.100 -0.193 0.000 0.955 195 R CB -0.505 29.682 30.300 -0.189 0.000 0.851 195 R HN 0.587 nan 8.270 nan 0.000 0.432 196 F N 2.267 121.864 119.950 -0.589 0.000 2.091 196 F HA -0.250 4.282 4.527 0.008 0.000 0.299 196 F C 1.922 177.445 175.800 -0.461 0.000 1.103 196 F CA 1.704 59.331 58.000 -0.622 0.000 1.228 196 F CB -0.012 38.500 39.000 -0.813 0.000 0.984 196 F HN -0.170 nan 8.300 nan 0.000 0.477 197 K N 0.203 120.430 120.400 -0.288 0.000 2.063 197 K HA -0.215 4.111 4.320 0.009 0.000 0.208 197 K C 1.862 177.935 176.600 -0.878 0.000 1.048 197 K CA 2.028 57.999 56.287 -0.527 0.000 0.928 197 K CB -0.527 31.863 32.500 -0.184 0.000 0.713 197 K HN 0.467 nan 8.250 nan 0.000 0.442 198 N N 0.729 119.170 118.700 -0.431 0.000 2.084 198 N HA -0.166 4.579 4.740 0.009 0.000 0.190 198 N C 1.796 177.115 175.510 -0.318 0.000 1.030 198 N CA 0.671 53.560 53.050 -0.267 0.000 0.849 198 N CB -0.085 38.334 38.487 -0.113 0.000 1.012 198 N HN 0.009 nan 8.380 nan 0.000 0.423 199 L N 1.291 122.312 121.223 -0.338 0.000 2.083 199 L HA -0.066 4.280 4.340 0.009 0.000 0.209 199 L C 2.137 178.658 176.870 -0.582 0.000 1.083 199 L CA 1.259 55.942 54.840 -0.262 0.000 0.752 199 L CB -0.568 41.419 42.059 -0.120 0.000 0.899 199 L HN 0.083 nan 8.230 nan 0.000 0.433 200 A N -1.138 121.084 122.820 -0.997 0.000 1.858 200 A HA -0.228 4.097 4.320 0.009 0.000 0.216 200 A C 2.147 179.310 177.584 -0.702 0.000 1.190 200 A CA 1.746 52.997 52.037 -1.311 0.000 0.617 200 A CB -0.957 17.353 19.000 -1.149 0.000 0.827 200 A HN 0.650 nan 8.150 nan 0.000 0.443 201 H N -0.079 118.776 119.070 -0.358 0.000 2.387 201 H HA -0.118 4.443 4.556 0.009 0.000 0.299 201 H C 2.147 177.377 175.328 -0.162 0.000 1.090 201 H CA 1.634 57.556 56.048 -0.211 0.000 1.332 201 H CB -0.688 28.988 29.762 -0.145 0.000 1.386 201 H HN 0.677 nan 8.280 nan 0.000 0.516 202 Q N 0.046 119.812 119.800 -0.056 0.000 2.096 202 Q HA -0.182 4.163 4.340 0.009 0.000 0.204 202 Q C 1.970 177.911 176.000 -0.099 0.000 0.982 202 Q CA 1.558 57.325 55.803 -0.058 0.000 0.850 202 Q CB -0.172 28.534 28.738 -0.053 0.000 0.901 202 Q HN 0.632 nan 8.270 nan 0.000 0.422 203 H N 0.015 118.943 119.070 -0.237 0.000 2.495 203 H HA -0.009 4.552 4.556 0.009 0.000 0.287 203 H C 1.608 176.893 175.328 -0.072 0.000 1.033 203 H CA 0.876 56.824 56.048 -0.166 0.000 1.307 203 H CB 0.182 29.736 29.762 -0.347 0.000 1.401 203 H HN 0.261 nan 8.280 nan 0.000 0.555 204 Q N -0.411 119.389 119.800 -0.001 0.000 2.369 204 Q HA -0.035 4.310 4.340 0.009 0.000 0.206 204 Q C 1.808 177.821 176.000 0.021 0.000 0.963 204 Q CA 0.969 56.788 55.803 0.026 0.000 0.894 204 Q CB 0.333 29.074 28.738 0.005 0.000 0.965 204 Q HN 0.383 nan 8.270 nan 0.000 0.475 205 S N 0.923 116.614 115.700 -0.014 0.000 2.362 205 S HA -0.085 4.390 4.470 0.009 0.000 0.221 205 S C 1.808 176.361 174.600 -0.078 0.000 1.032 205 S CA 0.675 58.849 58.200 -0.044 0.000 0.973 205 S CB -0.131 63.035 63.200 -0.057 0.000 0.849 205 S HN 0.378 nan 8.310 nan 0.000 0.465 206 M N 0.117 119.666 119.600 -0.084 0.000 2.108 206 M HA -0.054 4.431 4.480 0.009 0.000 0.261 206 M C -0.747 175.322 176.300 -0.386 0.000 1.066 206 M CA 1.675 56.862 55.300 -0.188 0.000 1.107 206 M CB 0.061 32.625 32.600 -0.061 0.000 1.356 206 M HN 0.197 nan 8.290 nan 0.000 0.406 207 F N 0.432 120.373 119.950 -0.016 0.000 2.676 207 F HA 0.382 4.914 4.527 0.009 0.000 0.371 207 F C -1.845 173.952 175.800 -0.004 0.000 1.141 207 F CA -1.971 56.029 58.000 -0.000 0.000 1.133 207 F CB 1.001 40.013 39.000 0.020 0.000 1.376 207 F HN 0.030 nan 8.300 nan 0.000 0.491 208 P HA -0.032 nan 4.420 nan 0.000 0.244 208 P C 0.776 178.128 177.300 0.086 0.000 1.211 208 P CA 0.861 63.998 63.100 0.062 0.000 0.760 208 P CB 0.116 31.826 31.700 0.016 0.000 0.961 209 T N -0.684 113.960 114.554 0.150 0.000 3.044 209 T HA 0.089 4.444 4.350 0.009 0.000 0.250 209 T C 0.651 175.413 174.700 0.103 0.000 1.081 209 T CA -0.210 61.965 62.100 0.126 0.000 1.040 209 T CB -0.218 68.748 68.868 0.163 0.000 0.962 209 T HN -0.010 nan 8.240 nan 0.000 0.506 210 L N 3.643 124.943 121.223 0.128 0.000 2.500 210 L HA 0.195 4.541 4.340 0.009 0.000 0.272 210 L C -0.198 176.706 176.870 0.058 0.000 1.149 210 L CA -0.030 54.858 54.840 0.080 0.000 0.897 210 L CB -0.210 41.911 42.059 0.103 0.000 1.178 210 L HN 0.106 nan 8.230 nan 0.000 0.473 211 E N 6.578 126.809 120.200 0.053 0.000 2.146 211 E HA 0.474 4.829 4.350 0.009 0.000 0.282 211 E C -0.901 175.743 176.600 0.073 0.000 0.989 211 E CA -0.137 56.297 56.400 0.056 0.000 0.799 211 E CB 1.386 31.117 29.700 0.052 0.000 1.088 211 E HN 0.533 nan 8.360 nan 0.000 0.397 212 I N 2.369 122.983 120.570 0.073 0.000 2.468 212 I HA 0.099 4.274 4.170 0.009 0.000 0.285 212 I C -0.556 175.633 176.117 0.121 0.000 1.039 212 I CA -0.771 60.593 61.300 0.108 0.000 1.074 212 I CB 1.663 39.702 38.000 0.065 0.000 1.228 212 I HN 0.416 nan 8.210 nan 0.000 0.436 213 D N 6.478 126.963 120.400 0.140 0.000 2.551 213 D HA 0.108 4.753 4.640 0.009 0.000 0.223 213 D C 1.156 177.561 176.300 0.174 0.000 1.144 213 D CA 0.027 54.105 54.000 0.130 0.000 1.025 213 D CB 0.768 41.634 40.800 0.111 0.000 1.085 213 D HN 0.285 nan 8.370 nan 0.000 0.506 214 V N 2.728 122.756 119.914 0.191 0.000 2.250 214 V HA -0.303 3.822 4.120 0.009 0.000 0.253 214 V C 2.300 178.515 176.094 0.202 0.000 1.065 214 V CA 1.850 64.312 62.300 0.270 0.000 1.039 214 V CB -0.414 31.539 31.823 0.216 0.000 0.647 214 V HN 0.412 nan 8.190 nan 0.000 0.446 215 E N 0.340 120.621 120.200 0.134 0.000 2.051 215 E HA -0.105 4.251 4.350 0.009 0.000 0.192 215 E C 2.239 178.885 176.600 0.076 0.000 0.991 215 E CA 1.456 57.913 56.400 0.094 0.000 0.799 215 E CB -0.980 28.766 29.700 0.077 0.000 0.748 215 E HN 0.554 nan 8.360 nan 0.000 0.449 216 G N 0.247 109.096 108.800 0.081 0.000 2.433 216 G HA2 -0.314 3.652 3.960 0.009 0.000 0.216 216 G HA3 -0.314 3.652 3.960 0.009 0.000 0.216 216 G C 1.426 176.368 174.900 0.070 0.000 1.186 216 G CA 0.827 45.967 45.100 0.067 0.000 0.779 216 G HN 0.278 nan 8.290 nan 0.000 0.543 217 Q N -0.273 119.592 119.800 0.109 0.000 2.181 217 Q HA 0.002 4.347 4.340 0.009 0.000 0.205 217 Q C 2.614 178.596 176.000 -0.030 0.000 0.980 217 Q CA 0.806 56.675 55.803 0.109 0.000 0.862 217 Q CB -0.225 28.662 28.738 0.248 0.000 0.905 217 Q HN 0.438 nan 8.270 nan 0.000 0.429 218 L N 0.229 121.396 121.223 -0.094 0.000 2.156 218 L HA -0.157 4.188 4.340 0.009 0.000 0.208 218 L C 2.152 179.091 176.870 0.116 0.000 1.095 218 L CA 0.999 55.792 54.840 -0.078 0.000 0.770 218 L CB -0.137 41.891 42.059 -0.052 0.000 0.914 218 L HN 0.141 nan 8.230 nan 0.000 0.439 219 K N -0.208 120.221 120.400 0.048 0.000 2.026 219 K HA -0.148 4.177 4.320 0.009 0.000 0.208 219 K C 2.213 178.766 176.600 -0.078 0.000 1.048 219 K CA 1.192 57.471 56.287 -0.013 0.000 0.929 219 K CB -0.118 32.368 32.500 -0.022 0.000 0.713 219 K HN 0.215 nan 8.250 nan 0.000 0.439 220 R N 0.731 121.199 120.500 -0.054 0.000 2.096 220 R HA -0.053 4.292 4.340 0.009 0.000 0.235 220 R C 2.344 178.576 176.300 -0.112 0.000 1.127 220 R CA 1.038 57.045 56.100 -0.155 0.000 0.968 220 R CB -0.332 29.966 30.300 -0.002 0.000 0.861 220 R HN 0.175 nan 8.270 nan 0.000 0.440 221 L N 0.581 121.888 121.223 0.140 0.000 2.093 221 L HA -0.165 4.180 4.340 0.009 0.000 0.208 221 L C 2.478 179.421 176.870 0.120 0.000 1.085 221 L CA 1.049 56.057 54.840 0.280 0.000 0.755 221 L CB -0.327 41.887 42.059 0.259 0.000 0.904 221 L HN 0.027 nan 8.230 nan 0.000 0.435 222 K N 0.779 121.158 120.400 -0.035 0.000 2.063 222 K HA -0.134 4.191 4.320 0.009 0.000 0.208 222 K C 1.893 178.289 176.600 -0.339 0.000 1.048 222 K CA 1.712 57.695 56.287 -0.506 0.000 0.928 222 K CB -0.785 31.261 32.500 -0.757 0.000 0.713 222 K HN 0.228 nan 8.250 nan 0.000 0.442 223 G N -0.763 107.855 108.800 -0.304 0.000 2.402 223 G HA2 -0.174 3.791 3.960 0.009 0.000 0.216 223 G HA3 -0.174 3.791 3.960 0.009 0.000 0.216 223 G C 1.264 175.984 174.900 -0.299 0.000 1.162 223 G CA 0.577 45.465 45.100 -0.352 0.000 0.777 223 G HN 0.285 nan 8.290 nan 0.000 0.539 224 F N 1.896 121.761 119.950 -0.143 0.000 2.216 224 F HA 0.086 4.618 4.527 0.009 0.000 0.300 224 F C 2.963 178.735 175.800 -0.046 0.000 1.085 224 F CA 0.469 58.406 58.000 -0.105 0.000 1.326 224 F CB -0.560 38.446 39.000 0.009 0.000 1.027 224 F HN 0.246 nan 8.300 nan 0.000 0.497 225 A N -0.098 122.781 122.820 0.100 0.000 1.877 225 A HA -0.155 4.170 4.320 0.009 0.000 0.216 225 A C 2.198 179.776 177.584 -0.010 0.000 1.186 225 A CA 1.638 53.691 52.037 0.026 0.000 0.620 225 A CB -0.527 18.445 19.000 -0.046 0.000 0.822 225 A HN 0.216 nan 8.150 nan 0.000 0.443 226 E N -0.532 119.624 120.200 -0.074 0.000 2.150 226 E HA -0.148 4.207 4.350 0.009 0.000 0.193 226 E C 2.061 178.632 176.600 -0.048 0.000 0.985 226 E CA 1.012 57.364 56.400 -0.080 0.000 0.814 226 E CB -0.331 29.292 29.700 -0.128 0.000 0.752 226 E HN 0.686 nan 8.360 nan 0.000 0.466 227 R N 0.254 120.730 120.500 -0.040 0.000 2.119 227 R HA 0.102 4.447 4.340 0.009 0.000 0.222 227 R C 2.246 178.626 176.300 0.134 0.000 1.088 227 R CA 0.506 56.596 56.100 -0.017 0.000 0.984 227 R CB -0.050 30.145 30.300 -0.174 0.000 0.884 227 R HN 0.150 nan 8.270 nan 0.000 0.447 228 I N 0.175 120.861 120.570 0.193 0.000 3.427 228 I HA -0.076 4.099 4.170 0.009 0.000 0.288 228 I C 2.245 178.414 176.117 0.085 0.000 1.249 228 I CA 0.247 61.672 61.300 0.208 0.000 1.421 228 I CB -0.036 38.097 38.000 0.223 0.000 1.086 228 I HN 0.139 nan 8.210 nan 0.000 0.448 229 R N 1.977 122.506 120.500 0.048 0.000 2.136 229 R HA -0.189 4.156 4.340 0.009 0.000 0.242 229 R C -0.618 175.688 176.300 0.011 0.000 1.131 229 R CA 2.580 58.691 56.100 0.018 0.000 0.937 229 R CB -1.497 28.802 30.300 -0.002 0.000 0.863 229 R HN 0.310 nan 8.270 nan 0.000 0.435 230 P HA -0.130 nan 4.420 nan 0.000 0.234 230 P C 0.761 178.060 177.300 -0.003 0.000 1.167 230 P CA 1.432 64.530 63.100 -0.003 0.000 0.763 230 P CB 0.008 31.697 31.700 -0.017 0.000 0.835 231 M N -1.347 118.255 119.600 0.002 0.000 2.492 231 M HA 0.080 4.566 4.480 0.009 0.000 0.255 231 M C 0.598 176.888 176.300 -0.017 0.000 1.139 231 M CA 0.271 55.566 55.300 -0.007 0.000 1.096 231 M CB 0.228 32.830 32.600 0.003 0.000 1.360 231 M HN -0.317 nan 8.290 nan 0.000 0.480 232 V N 2.058 121.970 119.914 -0.004 0.000 2.686 232 V HA 0.270 4.395 4.120 0.009 0.000 0.295 232 V C 0.193 176.292 176.094 0.007 0.000 1.055 232 V CA -0.036 62.260 62.300 -0.006 0.000 1.050 232 V CB 0.833 32.658 31.823 0.004 0.000 0.984 232 V HN 0.388 nan 8.190 nan 0.000 0.482 233 R N 1.448 121.959 120.500 0.017 0.000 2.766 233 R HA 0.313 4.658 4.340 0.009 0.000 0.270 233 R C -1.228 175.136 176.300 0.108 0.000 1.035 233 R CA -0.977 55.159 56.100 0.060 0.000 0.911 233 R CB 1.373 31.702 30.300 0.048 0.000 1.243 233 R HN 0.743 nan 8.270 nan 0.000 0.460 234 D N 0.598 121.089 120.400 0.153 0.000 2.338 234 D HA 0.050 4.695 4.640 0.009 0.000 0.255 234 D C 0.711 177.188 176.300 0.295 0.000 1.237 234 D CA 0.337 54.447 54.000 0.183 0.000 0.883 234 D CB 1.537 42.431 40.800 0.156 0.000 1.087 234 D HN 0.682 nan 8.370 nan 0.000 0.485 235 G N 3.116 112.101 108.800 0.309 0.000 2.402 235 G HA2 -0.182 3.783 3.960 0.009 0.000 0.216 235 G HA3 -0.182 3.783 3.960 0.009 0.000 0.216 235 G C 1.690 176.838 174.900 0.412 0.000 1.162 235 G CA 0.445 45.840 45.100 0.491 0.000 0.777 235 G HN 0.496 nan 8.290 nan 0.000 0.539 236 V N -0.065 120.033 119.914 0.307 0.000 2.252 236 V HA -0.272 3.853 4.120 0.009 0.000 0.249 236 V C 2.295 178.553 176.094 0.273 0.000 1.056 236 V CA 2.101 64.554 62.300 0.254 0.000 1.022 236 V CB -0.738 31.198 31.823 0.189 0.000 0.641 236 V HN 0.504 nan 8.190 nan 0.000 0.445 237 Y N -0.350 120.044 120.300 0.156 0.000 2.200 237 Y HA -0.268 4.288 4.550 0.009 0.000 0.290 237 Y C 2.257 178.262 175.900 0.176 0.000 1.137 237 Y CA 1.905 60.088 58.100 0.138 0.000 1.163 237 Y CB -0.319 38.199 38.460 0.096 0.000 0.988 237 Y HN 0.254 nan 8.280 nan 0.000 0.518 238 F N -0.020 120.007 119.950 0.128 0.000 2.095 238 F HA -0.305 4.227 4.527 0.008 0.000 0.298 238 F C 2.280 177.970 175.800 -0.183 0.000 1.104 238 F CA 2.107 60.082 58.000 -0.041 0.000 1.232 238 F CB -0.412 38.557 39.000 -0.051 0.000 0.987 238 F HN 0.198 nan 8.300 nan 0.000 0.475 239 M N -0.511 119.066 119.600 -0.039 0.000 2.132 239 M HA -0.153 4.333 4.480 0.009 0.000 0.263 239 M C 1.964 178.191 176.300 -0.122 0.000 1.065 239 M CA 1.688 56.894 55.300 -0.158 0.000 1.122 239 M CB -1.231 31.374 32.600 0.009 0.000 1.365 239 M HN 0.399 nan 8.290 nan 0.000 0.411 240 Y N 0.949 121.171 120.300 -0.131 0.000 2.128 240 Y HA -0.261 4.295 4.550 0.009 0.000 0.284 240 Y C 2.061 177.872 175.900 -0.147 0.000 1.154 240 Y CA 2.246 60.284 58.100 -0.104 0.000 1.149 240 Y CB -0.219 38.124 38.460 -0.195 0.000 0.976 240 Y HN 0.272 nan 8.280 nan 0.000 0.505 241 E N 0.267 120.319 120.200 -0.246 0.000 2.077 241 E HA -0.223 4.132 4.350 0.009 0.000 0.193 241 E C 2.414 178.816 176.600 -0.331 0.000 0.989 241 E CA 1.174 57.375 56.400 -0.332 0.000 0.800 241 E CB -0.777 28.648 29.700 -0.457 0.000 0.746 241 E HN 0.592 nan 8.360 nan 0.000 0.452 242 A N 0.946 123.511 122.820 -0.426 0.000 1.972 242 A HA -0.109 4.216 4.320 0.009 0.000 0.219 242 A C 2.254 179.662 177.584 -0.293 0.000 1.169 242 A CA 1.020 52.815 52.037 -0.403 0.000 0.635 242 A CB -0.492 18.190 19.000 -0.530 0.000 0.810 242 A HN 0.188 nan 8.150 nan 0.000 0.446 243 L N -2.072 118.981 121.223 -0.283 0.000 2.567 243 L HA 0.082 4.427 4.340 0.009 0.000 0.225 243 L C 1.352 177.908 176.870 -0.524 0.000 1.119 243 L CA 0.477 55.116 54.840 -0.335 0.000 0.871 243 L CB -0.130 41.744 42.059 -0.309 0.000 1.036 243 L HN 0.440 nan 8.230 nan 0.000 0.459 244 H N -1.418 117.399 119.070 -0.423 0.000 3.058 244 H HA 0.278 4.839 4.556 0.009 0.000 0.266 244 H C 1.124 176.310 175.328 -0.237 0.000 1.135 244 H CA 0.142 55.964 56.048 -0.378 0.000 1.174 244 H CB 0.658 30.060 29.762 -0.600 0.000 1.581 244 H HN 0.164 nan 8.280 nan 0.000 0.553 245 G N 0.902 109.624 108.800 -0.130 0.000 2.945 245 G HA2 0.255 4.220 3.960 0.009 0.000 0.156 245 G HA3 0.255 4.220 3.960 0.009 0.000 0.156 245 G C -1.702 173.139 174.900 -0.098 0.000 1.375 245 G CA -1.023 44.019 45.100 -0.097 0.000 1.039 245 G HN 0.019 nan 8.290 nan 0.000 0.586 246 P HA 0.217 nan 4.420 nan 0.000 0.269 246 P C -2.499 174.746 177.300 -0.092 0.000 1.209 246 P CA -0.763 62.292 63.100 -0.074 0.000 0.776 246 P CB 0.207 31.872 31.700 -0.059 0.000 0.876 247 P HA 0.011 nan 4.420 nan 0.000 0.260 247 P C -0.467 176.783 177.300 -0.084 0.000 1.172 247 P CA 0.805 63.852 63.100 -0.088 0.000 0.760 247 P CB 0.503 32.162 31.700 -0.067 0.000 0.773 248 K N 2.471 122.813 120.400 -0.098 0.000 2.502 248 K HA 0.327 4.652 4.320 0.009 0.000 0.257 248 K C -0.183 176.370 176.600 -0.078 0.000 0.938 248 K CA -1.084 55.150 56.287 -0.088 0.000 0.819 248 K CB 2.344 34.774 32.500 -0.116 0.000 1.333 248 K HN 0.376 nan 8.250 nan 0.000 0.434 249 K N 1.490 121.858 120.400 -0.053 0.000 2.281 249 K HA 0.327 4.652 4.320 0.009 0.000 0.272 249 K C -0.542 176.041 176.600 -0.029 0.000 1.048 249 K CA -0.666 55.600 56.287 -0.035 0.000 0.898 249 K CB 1.155 33.647 32.500 -0.014 0.000 1.128 249 K HN 0.208 nan 8.250 nan 0.000 0.460 250 V N 4.352 124.248 119.914 -0.031 0.000 2.398 250 V HA 0.290 4.415 4.120 0.009 0.000 0.286 250 V C -0.446 175.656 176.094 0.012 0.000 1.026 250 V CA -1.036 61.257 62.300 -0.013 0.000 0.868 250 V CB 1.202 33.006 31.823 -0.031 0.000 0.982 250 V HN 0.699 nan 8.190 nan 0.000 0.443 251 L N 6.419 127.661 121.223 0.031 0.000 2.322 251 L HA 0.723 5.068 4.340 0.009 0.000 0.281 251 L C -0.540 176.367 176.870 0.061 0.000 1.014 251 L CA -0.003 54.862 54.840 0.042 0.000 0.815 251 L CB 1.902 43.980 42.059 0.032 0.000 1.247 251 L HN 0.428 nan 8.230 nan 0.000 0.421 252 V N 4.747 124.701 119.914 0.065 0.000 2.357 252 V HA 0.372 4.497 4.120 0.009 0.000 0.284 252 V C -0.162 175.982 176.094 0.084 0.000 1.018 252 V CA -0.633 61.717 62.300 0.084 0.000 0.841 252 V CB 1.375 33.249 31.823 0.084 0.000 0.991 252 V HN 0.820 nan 8.190 nan 0.000 0.437 253 E N 4.088 124.341 120.200 0.089 0.000 2.044 253 E HA 0.486 4.841 4.350 0.009 0.000 0.282 253 E C 0.402 177.087 176.600 0.140 0.000 1.031 253 E CA -0.403 56.063 56.400 0.110 0.000 0.824 253 E CB 1.021 30.789 29.700 0.113 0.000 1.076 253 E HN 0.820 nan 8.360 nan 0.000 0.395 254 G N 2.968 111.859 108.800 0.152 0.000 2.432 254 G HA2 0.488 4.453 3.960 0.009 0.000 0.257 254 G HA3 0.488 4.453 3.960 0.009 0.000 0.257 254 G C -0.570 174.470 174.900 0.234 0.000 1.238 254 G CA -0.130 45.065 45.100 0.158 0.000 0.838 254 G HN 0.618 nan 8.290 nan 0.000 0.547 255 A N 1.976 124.896 122.820 0.167 0.000 2.299 255 A HA 0.799 5.124 4.320 0.009 0.000 0.332 255 A C 0.567 178.242 177.584 0.152 0.000 1.131 255 A CA -0.126 51.997 52.037 0.143 0.000 0.844 255 A CB 0.551 19.567 19.000 0.026 0.000 1.251 255 A HN 1.103 nan 8.150 nan 0.000 0.486 256 N N -1.372 117.423 118.700 0.158 0.000 1.324 256 N HA -0.005 4.740 4.740 0.009 0.000 0.111 256 N C -0.236 175.370 175.510 0.159 0.000 0.839 256 N CA 1.438 54.578 53.050 0.150 0.000 0.856 256 N CB -0.853 37.706 38.487 0.119 0.000 0.936 256 N HN 1.940 nan 8.380 nan 0.000 0.657 257 A N -1.525 121.382 122.820 0.146 0.000 2.581 257 A HA 0.847 5.172 4.320 0.009 0.000 0.290 257 A C 0.657 178.309 177.584 0.114 0.000 1.119 257 A CA 0.082 52.196 52.037 0.127 0.000 0.670 257 A CB 0.494 19.562 19.000 0.114 0.000 1.280 257 A HN 1.174 nan 8.150 nan 0.000 0.425 258 A N -0.269 122.607 122.820 0.092 0.000 1.903 258 A HA -0.078 4.247 4.320 0.009 0.000 0.219 258 A C 1.534 179.176 177.584 0.096 0.000 1.191 258 A CA 2.050 54.140 52.037 0.088 0.000 0.638 258 A CB -0.910 18.121 19.000 0.051 0.000 0.823 258 A HN 0.888 nan 8.150 nan 0.000 0.451 259 L N -0.684 120.508 121.223 -0.051 0.000 2.650 259 L HA 0.082 4.427 4.340 0.009 0.000 0.235 259 L C 1.254 178.234 176.870 0.183 0.000 1.149 259 L CA 0.106 54.895 54.840 -0.085 0.000 0.887 259 L CB -0.218 41.363 42.059 -0.796 0.000 1.021 259 L HN 0.376 nan 8.230 nan 0.000 0.441 260 L N -1.776 119.568 121.223 0.202 0.000 2.731 260 L HA 0.149 4.494 4.340 0.009 0.000 0.240 260 L C 0.868 177.842 176.870 0.172 0.000 1.120 260 L CA -0.175 54.809 54.840 0.240 0.000 0.913 260 L CB 0.188 42.381 42.059 0.222 0.000 1.213 260 L HN 0.137 nan 8.230 nan 0.000 0.515 261 D N 1.735 122.235 120.400 0.165 0.000 2.487 261 D HA -0.089 4.556 4.640 0.009 0.000 0.243 261 D C 1.331 177.674 176.300 0.071 0.000 1.154 261 D CA 0.239 54.310 54.000 0.118 0.000 0.876 261 D CB 1.405 42.320 40.800 0.192 0.000 1.161 261 D HN 0.174 nan 8.370 nan 0.000 0.478 262 I N 3.598 124.165 120.570 -0.006 0.000 2.300 262 I HA -0.304 3.871 4.170 0.009 0.000 0.252 262 I C 1.348 177.428 176.117 -0.062 0.000 1.119 262 I CA 1.522 62.818 61.300 -0.006 0.000 1.384 262 I CB 0.214 38.161 38.000 -0.087 0.000 1.062 262 I HN 0.438 nan 8.210 nan 0.000 0.426 263 D N -0.218 120.017 120.400 -0.275 0.000 2.269 263 D HA -0.031 4.614 4.640 0.009 0.000 0.220 263 D C 1.536 177.524 176.300 -0.521 0.000 0.962 263 D CA 1.185 54.838 54.000 -0.578 0.000 0.884 263 D CB 0.061 40.169 40.800 -1.153 0.000 1.023 263 D HN 0.359 nan 8.370 nan 0.000 0.484 264 F N 1.016 121.045 119.950 0.132 0.000 2.695 264 F HA 0.295 4.827 4.527 0.009 0.000 0.303 264 F C 1.547 177.545 175.800 0.331 0.000 1.091 264 F CA -0.529 57.618 58.000 0.245 0.000 1.300 264 F CB -0.078 39.018 39.000 0.161 0.000 1.071 264 F HN -0.215 nan 8.300 nan 0.000 0.578 265 G N 0.007 109.018 108.800 0.351 0.000 2.563 265 G HA2 0.334 4.299 3.960 0.009 0.000 0.283 265 G HA3 0.334 4.299 3.960 0.009 0.000 0.283 265 G C 0.107 175.240 174.900 0.388 0.000 1.309 265 G CA -0.328 44.977 45.100 0.341 0.000 1.022 265 G HN 0.140 nan 8.290 nan 0.000 0.501 266 T N -1.640 113.190 114.554 0.459 0.000 4.219 266 T HA 0.157 4.512 4.350 0.009 0.000 0.263 266 T C 0.086 175.037 174.700 0.419 0.000 1.217 266 T CA -0.483 61.913 62.100 0.494 0.000 1.145 266 T CB -0.816 68.443 68.868 0.651 0.000 1.298 266 T HN 0.325 nan 8.240 nan 0.000 0.999 267 Y N 4.406 124.820 120.300 0.189 0.000 2.805 267 Y HA 0.151 4.707 4.550 0.008 0.000 0.337 267 Y C -1.140 174.734 175.900 -0.043 0.000 1.252 267 Y CA -1.448 56.686 58.100 0.056 0.000 1.515 267 Y CB 0.922 39.398 38.460 0.026 0.000 1.305 267 Y HN 0.337 nan 8.280 nan 0.000 0.600 268 P HA 0.010 nan 4.420 nan 0.000 0.257 268 P C -0.525 176.365 177.300 -0.684 0.000 1.281 268 P CA 0.407 62.774 63.100 -1.222 0.000 0.826 268 P CB -0.154 30.832 31.700 -1.190 0.000 1.237 269 F N 1.946 121.835 119.950 -0.103 0.000 2.666 269 F HA 0.140 4.672 4.527 0.009 0.000 0.362 269 F C 1.210 177.044 175.800 0.055 0.000 1.190 269 F CA -0.416 57.571 58.000 -0.022 0.000 1.328 269 F CB -0.747 38.257 39.000 0.006 0.000 1.682 269 F HN -0.172 nan 8.300 nan 0.000 0.623 270 V N -3.394 116.583 119.914 0.106 0.000 3.167 270 V HA 0.681 4.807 4.120 0.009 0.000 0.310 270 V C -0.115 176.026 176.094 0.079 0.000 1.207 270 V CA -0.894 61.492 62.300 0.143 0.000 1.059 270 V CB 1.541 33.463 31.823 0.165 0.000 1.079 270 V HN 0.075 nan 8.190 nan 0.000 0.446 271 T N -0.176 114.428 114.554 0.083 0.000 2.881 271 T HA 0.380 4.735 4.350 0.009 0.000 0.278 271 T C 0.783 175.476 174.700 -0.011 0.000 0.982 271 T CA 0.282 62.411 62.100 0.047 0.000 0.989 271 T CB 1.336 70.239 68.868 0.059 0.000 1.058 271 T HN 0.929 nan 8.240 nan 0.000 0.529 272 S N 1.584 117.249 115.700 -0.058 0.000 2.679 272 S HA 0.256 4.731 4.470 0.009 0.000 0.233 272 S C 0.236 174.479 174.600 -0.594 0.000 0.951 272 S CA -0.586 57.495 58.200 -0.199 0.000 0.973 272 S CB -0.406 62.758 63.200 -0.060 0.000 0.778 272 S HN 0.756 nan 8.310 nan 0.000 0.477 273 S N 0.589 116.016 115.700 -0.455 0.000 2.671 273 S HA 0.491 4.966 4.470 0.009 0.000 0.299 273 S C -0.928 173.552 174.600 -0.200 0.000 1.116 273 S CA -1.134 56.763 58.200 -0.505 0.000 0.912 273 S CB 0.727 63.678 63.200 -0.415 0.000 1.130 273 S HN 0.185 nan 8.310 nan 0.000 0.501 274 N N 0.715 119.335 118.700 -0.135 0.000 2.602 274 N HA 0.282 5.028 4.740 0.009 0.000 0.238 274 N C 0.315 175.842 175.510 0.028 0.000 1.084 274 N CA -0.503 52.528 53.050 -0.032 0.000 0.952 274 N CB 0.053 38.534 38.487 -0.010 0.000 1.244 274 N HN 0.704 nan 8.380 nan 0.000 0.512 275 C N -0.153 119.179 119.300 0.055 0.000 2.551 275 C HA 0.102 4.567 4.460 0.009 0.000 0.284 275 C C 1.337 176.389 174.990 0.104 0.000 1.329 275 C CA -0.829 58.239 59.018 0.083 0.000 1.683 275 C CB -2.390 25.407 27.740 0.095 0.000 1.730 275 C HN 0.558 nan 8.230 nan 0.000 0.591 276 T N -2.750 111.871 114.554 0.112 0.000 2.862 276 T HA 0.368 4.723 4.350 0.009 0.000 0.276 276 T C 1.133 175.867 174.700 0.057 0.000 0.974 276 T CA -0.046 62.107 62.100 0.088 0.000 0.966 276 T CB 1.378 70.320 68.868 0.123 0.000 1.072 276 T HN 0.036 nan 8.240 nan 0.000 0.538 277 V N 1.259 121.173 119.914 -0.000 0.000 2.380 277 V HA -0.063 4.062 4.120 0.009 0.000 0.251 277 V C 2.475 178.576 176.094 0.012 0.000 1.063 277 V CA 2.810 65.107 62.300 -0.005 0.000 1.055 277 V CB -1.396 30.386 31.823 -0.067 0.000 0.657 277 V HN 1.104 nan 8.190 nan 0.000 0.455 278 G N -0.687 108.126 108.800 0.021 0.000 2.432 278 G HA2 -0.165 3.800 3.960 0.009 0.000 0.219 278 G HA3 -0.165 3.800 3.960 0.009 0.000 0.219 278 G C 1.572 176.504 174.900 0.052 0.000 1.135 278 G CA 0.739 45.862 45.100 0.038 0.000 0.767 278 G HN 0.719 nan 8.290 nan 0.000 0.550 279 G N 0.387 109.223 108.800 0.061 0.000 2.479 279 G HA2 -0.123 3.842 3.960 0.009 0.000 0.220 279 G HA3 -0.123 3.842 3.960 0.009 0.000 0.220 279 G C 1.689 176.628 174.900 0.066 0.000 1.115 279 G CA 1.114 46.248 45.100 0.058 0.000 0.757 279 G HN 0.345 nan 8.290 nan 0.000 0.560 280 V N 0.380 120.332 119.914 0.064 0.000 2.307 280 V HA -0.209 3.916 4.120 0.009 0.000 0.245 280 V C 3.017 179.157 176.094 0.077 0.000 1.045 280 V CA 1.790 64.133 62.300 0.072 0.000 1.024 280 V CB -0.765 31.093 31.823 0.059 0.000 0.651 280 V HN 0.500 nan 8.190 nan 0.000 0.449 281 C N 0.747 120.085 119.300 0.063 0.000 2.436 281 C HA -0.142 4.323 4.460 0.009 0.000 0.277 281 C C 3.170 178.207 174.990 0.078 0.000 1.241 281 C CA 1.748 60.806 59.018 0.067 0.000 1.721 281 C CB -1.349 26.422 27.740 0.050 0.000 2.043 281 C HN 0.754 nan 8.230 nan 0.000 0.472 282 T N -1.150 113.446 114.554 0.070 0.000 2.962 282 T HA 0.011 4.366 4.350 0.009 0.000 0.270 282 T C 1.709 176.462 174.700 0.089 0.000 1.088 282 T CA 1.716 63.860 62.100 0.073 0.000 1.127 282 T CB -0.469 68.434 68.868 0.058 0.000 0.883 282 T HN 0.557 nan 8.240 nan 0.000 0.493 283 G N 0.611 109.467 108.800 0.093 0.000 2.603 283 G HA2 0.305 4.270 3.960 0.009 0.000 0.214 283 G HA3 0.305 4.270 3.960 0.009 0.000 0.214 283 G C 1.290 176.270 174.900 0.132 0.000 1.140 283 G CA 0.040 45.202 45.100 0.103 0.000 0.800 283 G HN 0.541 nan 8.290 nan 0.000 0.533 284 L N -0.824 120.492 121.223 0.156 0.000 2.781 284 L HA 0.341 4.686 4.340 0.009 0.000 0.245 284 L C 1.656 178.647 176.870 0.203 0.000 1.118 284 L CA 0.368 55.344 54.840 0.226 0.000 0.918 284 L CB 0.559 42.760 42.059 0.235 0.000 1.246 284 L HN 0.248 nan 8.230 nan 0.000 0.526 285 G N 2.502 111.393 108.800 0.152 0.000 2.182 285 G HA2 -0.211 3.754 3.960 0.009 0.000 0.248 285 G HA3 -0.211 3.754 3.960 0.009 0.000 0.248 285 G C 0.027 175.009 174.900 0.136 0.000 1.042 285 G CA 0.380 45.563 45.100 0.138 0.000 0.775 285 G HN 0.255 nan 8.290 nan 0.000 0.501 286 I N -1.786 118.856 120.570 0.121 0.000 2.530 286 I HA 0.801 4.976 4.170 0.009 0.000 0.297 286 I C -2.176 173.992 176.117 0.085 0.000 1.011 286 I CA -3.563 57.805 61.300 0.112 0.000 1.107 286 I CB 1.285 39.341 38.000 0.093 0.000 1.285 286 I HN -0.036 nan 8.210 nan 0.000 0.436 287 P HA 0.324 nan 4.420 nan 0.000 0.276 287 P C -2.233 175.089 177.300 0.037 0.000 1.252 287 P CA -1.205 61.931 63.100 0.059 0.000 0.802 287 P CB 0.175 31.915 31.700 0.067 0.000 1.035 288 P HA -0.209 nan 4.420 nan 0.000 0.217 288 P C 1.420 178.717 177.300 -0.005 0.000 1.148 288 P CA 1.766 64.868 63.100 0.003 0.000 0.828 288 P CB -0.191 31.506 31.700 -0.005 0.000 0.783 289 Q N -0.852 118.949 119.800 0.001 0.000 2.437 289 Q HA -0.069 4.276 4.340 0.009 0.000 0.210 289 Q C 1.020 177.004 176.000 -0.027 0.000 0.972 289 Q CA 0.927 56.724 55.803 -0.011 0.000 0.903 289 Q CB -1.000 27.737 28.738 -0.002 0.000 0.967 289 Q HN 0.351 nan 8.270 nan 0.000 0.486 290 N N 0.400 119.089 118.700 -0.018 0.000 2.270 290 N HA 0.161 4.906 4.740 0.009 0.000 0.198 290 N C -0.364 175.125 175.510 -0.035 0.000 1.117 290 N CA 0.064 53.090 53.050 -0.040 0.000 0.845 290 N CB 0.775 39.247 38.487 -0.025 0.000 0.980 290 N HN 0.182 nan 8.380 nan 0.000 0.486 291 I N 0.701 121.254 120.570 -0.028 0.000 2.339 291 I HA 0.276 4.451 4.170 0.009 0.000 0.290 291 I C 1.185 177.275 176.117 -0.045 0.000 0.994 291 I CA -0.248 61.034 61.300 -0.030 0.000 1.191 291 I CB 1.117 39.104 38.000 -0.021 0.000 1.343 291 I HN -0.038 nan 8.210 nan 0.000 0.458 292 G N 5.781 114.547 108.800 -0.056 0.000 3.374 292 G HA2 0.122 4.087 3.960 0.009 0.000 0.200 292 G HA3 0.122 4.087 3.960 0.009 0.000 0.200 292 G C -0.161 174.679 174.900 -0.099 0.000 1.801 292 G CA -0.189 44.871 45.100 -0.066 0.000 0.842 292 G HN 0.475 nan 8.290 nan 0.000 0.688 293 D N 0.639 120.948 120.400 -0.151 0.000 2.458 293 D HA 0.309 4.954 4.640 0.009 0.000 0.243 293 D C -0.431 175.630 176.300 -0.398 0.000 1.146 293 D CA 0.481 54.295 54.000 -0.309 0.000 0.877 293 D CB 1.813 42.323 40.800 -0.483 0.000 1.176 293 D HN -0.101 nan 8.370 nan 0.000 0.461 294 V N 4.500 124.235 119.914 -0.298 0.000 2.349 294 V HA 0.137 4.262 4.120 0.009 0.000 0.284 294 V C -0.784 175.322 176.094 0.020 0.000 1.014 294 V CA -0.801 61.433 62.300 -0.109 0.000 0.826 294 V CB 0.489 32.340 31.823 0.046 0.000 1.009 294 V HN 0.313 nan 8.190 nan 0.000 0.431 295 Y N 2.295 122.711 120.300 0.194 0.000 2.326 295 Y HA 0.667 5.223 4.550 0.010 0.000 0.337 295 Y C 0.938 176.804 175.900 -0.057 0.000 1.023 295 Y CA -1.018 57.148 58.100 0.110 0.000 1.143 295 Y CB 1.661 40.208 38.460 0.145 0.000 1.183 295 Y HN 0.641 nan 8.280 nan 0.000 0.485 296 G N 2.473 111.063 108.800 -0.351 0.000 2.319 296 G HA2 0.468 4.433 3.960 0.009 0.000 0.308 296 G HA3 0.468 4.433 3.960 0.009 0.000 0.308 296 G C -1.070 173.552 174.900 -0.463 0.000 1.117 296 G CA -0.596 43.897 45.100 -1.012 0.000 0.903 296 G HN 0.477 nan 8.290 nan 0.000 0.436 297 V N 3.372 123.141 119.914 -0.242 0.000 2.405 297 V HA 0.171 4.296 4.120 0.009 0.000 0.264 297 V C 0.156 176.166 176.094 -0.141 0.000 1.048 297 V CA -0.425 61.787 62.300 -0.147 0.000 0.966 297 V CB 0.923 32.682 31.823 -0.107 0.000 1.015 297 V HN 0.443 nan 8.190 nan 0.000 0.477 298 V N 5.682 125.527 119.914 -0.117 0.000 2.357 298 V HA 0.350 4.475 4.120 0.009 0.000 0.284 298 V C 0.287 176.360 176.094 -0.034 0.000 1.018 298 V CA -0.874 61.382 62.300 -0.072 0.000 0.841 298 V CB 1.488 33.274 31.823 -0.062 0.000 0.991 298 V HN 0.840 nan 8.190 nan 0.000 0.437 299 K N 3.078 123.444 120.400 -0.058 0.000 2.237 299 K HA 0.473 4.798 4.320 0.009 0.000 0.270 299 K C 1.279 177.861 176.600 -0.030 0.000 1.015 299 K CA 0.148 56.360 56.287 -0.125 0.000 0.949 299 K CB 1.401 33.721 32.500 -0.300 0.000 0.976 299 K HN 0.763 nan 8.250 nan 0.000 0.472 300 A N 3.837 126.685 122.820 0.046 0.000 2.125 300 A HA -0.079 4.246 4.320 0.009 0.000 0.219 300 A C -0.056 177.805 177.584 0.462 0.000 1.156 300 A CA 1.123 53.363 52.037 0.338 0.000 0.671 300 A CB -0.587 18.665 19.000 0.420 0.000 0.794 300 A HN 0.720 nan 8.150 nan 0.000 0.459 301 Y N -4.569 115.898 120.300 0.278 0.000 2.715 301 Y HA 0.708 5.263 4.550 0.008 0.000 0.331 301 Y C -0.409 175.661 175.900 0.284 0.000 1.197 301 Y CA -1.320 56.960 58.100 0.300 0.000 1.079 301 Y CB 0.340 38.926 38.460 0.211 0.000 1.298 301 Y HN -0.206 nan 8.280 nan 0.000 0.477 302 T N 1.571 116.426 114.554 0.503 0.000 2.855 302 T HA 0.635 4.990 4.350 0.009 0.000 0.281 302 T C -0.627 174.402 174.700 0.547 0.000 1.007 302 T CA -0.601 61.773 62.100 0.455 0.000 1.009 302 T CB 1.269 70.509 68.868 0.621 0.000 0.983 302 T HN 0.863 nan 8.240 nan 0.000 0.455 303 T N 0.779 115.511 114.554 0.298 0.000 2.876 303 T HA 0.786 5.141 4.350 0.009 0.000 0.289 303 T C -0.817 173.857 174.700 -0.044 0.000 1.014 303 T CA -1.117 61.115 62.100 0.220 0.000 0.986 303 T CB 2.102 71.080 68.868 0.184 0.000 1.021 303 T HN 0.367 nan 8.240 nan 0.000 0.458 304 R N 1.449 121.810 120.500 -0.232 0.000 2.673 304 R HA 0.672 5.017 4.340 0.009 0.000 0.281 304 R C -1.932 174.199 176.300 -0.282 0.000 0.991 304 R CA -0.770 54.982 56.100 -0.579 0.000 0.896 304 R CB 2.439 31.937 30.300 -1.336 0.000 1.201 304 R HN 0.659 nan 8.270 nan 0.000 0.457 305 V N 2.863 122.612 119.914 -0.275 0.000 2.409 305 V HA 0.728 4.853 4.120 0.009 0.000 0.291 305 V C 0.390 176.378 176.094 -0.176 0.000 1.020 305 V CA 0.287 62.504 62.300 -0.138 0.000 0.848 305 V CB 1.247 33.045 31.823 -0.042 0.000 0.990 305 V HN 1.032 nan 8.190 nan 0.000 0.430 306 G N 4.493 113.205 108.800 -0.146 0.000 2.661 306 G HA2 -0.068 3.897 3.960 0.009 0.000 0.685 306 G HA3 -0.068 3.897 3.960 0.009 0.000 0.685 306 G C -0.523 174.208 174.900 -0.282 0.000 1.298 306 G CA -0.397 44.601 45.100 -0.171 0.000 0.855 306 G HN 1.410 nan 8.290 nan 0.000 0.560 307 I N -0.729 119.643 120.570 -0.329 0.000 3.060 307 I HA 0.692 4.868 4.170 0.009 0.000 0.285 307 I C 0.942 176.590 176.117 -0.781 0.000 1.190 307 I CA 0.322 61.378 61.300 -0.406 0.000 1.363 307 I CB 1.126 38.954 38.000 -0.287 0.000 1.396 307 I HN 2.549 nan 8.210 nan 0.000 0.607 308 G N 2.405 110.873 108.800 -0.553 0.000 2.334 308 G HA2 0.414 4.380 3.960 0.009 0.000 0.566 308 G HA3 0.414 4.380 3.960 0.009 0.000 0.566 308 G C -0.852 173.930 174.900 -0.197 0.000 1.413 308 G CA -0.509 44.277 45.100 -0.523 0.000 0.993 308 G HN 1.259 nan 8.290 nan 0.000 0.642 309 A N 0.010 122.807 122.820 -0.038 0.000 2.511 309 A HA 0.583 4.908 4.320 0.009 0.000 0.242 309 A C -0.346 177.329 177.584 0.152 0.000 1.069 309 A CA 0.459 52.537 52.037 0.068 0.000 0.763 309 A CB 0.248 19.308 19.000 0.099 0.000 1.001 309 A HN 1.925 nan 8.150 nan 0.000 0.498 310 F N 5.157 125.108 119.950 0.001 0.000 3.050 310 F HA 0.431 4.963 4.527 0.008 0.000 0.382 310 F C -2.382 173.500 175.800 0.136 0.000 1.246 310 F CA -2.521 55.515 58.000 0.061 0.000 1.217 310 F CB 1.153 40.092 39.000 -0.101 0.000 1.795 310 F HN 0.369 nan 8.300 nan 0.000 0.622 311 P HA -0.195 nan 4.420 nan 0.000 0.218 311 P C 1.354 178.791 177.300 0.228 0.000 1.154 311 P CA 2.486 65.719 63.100 0.221 0.000 0.872 311 P CB 0.144 31.915 31.700 0.119 0.000 0.790 312 T N -4.418 110.338 114.554 0.335 0.000 3.163 312 T HA 0.120 4.475 4.350 0.009 0.000 0.252 312 T C 0.458 175.061 174.700 -0.162 0.000 1.056 312 T CA -0.463 61.829 62.100 0.319 0.000 0.947 312 T CB -0.703 68.520 68.868 0.591 0.000 1.016 312 T HN 0.133 nan 8.240 nan 0.000 0.554 313 E N 1.892 121.651 120.200 -0.735 0.000 2.502 313 E HA -0.042 4.314 4.350 0.009 0.000 0.261 313 E C -0.415 175.924 176.600 -0.434 0.000 0.974 313 E CA 0.092 55.881 56.400 -1.018 0.000 0.936 313 E CB 0.369 29.528 29.700 -0.901 0.000 0.926 313 E HN 0.264 nan 8.360 nan 0.000 0.459 314 Q N 4.864 124.414 119.800 -0.416 0.000 2.506 314 Q HA 0.270 4.615 4.340 0.009 0.000 0.242 314 Q C -0.475 175.391 176.000 -0.224 0.000 1.060 314 Q CA -0.277 55.340 55.803 -0.311 0.000 0.826 314 Q CB 0.735 29.192 28.738 -0.468 0.000 1.169 314 Q HN 0.580 nan 8.270 nan 0.000 0.521 315 I N 3.536 124.010 120.570 -0.159 0.000 2.213 315 I HA 0.052 4.227 4.170 0.009 0.000 0.295 315 I C -0.083 175.978 176.117 -0.093 0.000 1.172 315 I CA -0.051 61.183 61.300 -0.111 0.000 1.443 315 I CB -0.581 37.369 38.000 -0.083 0.000 1.491 315 I HN 0.475 nan 8.210 nan 0.000 0.652 316 N N 1.341 119.977 118.700 -0.107 0.000 3.465 316 N HA 0.034 4.779 4.740 0.009 0.000 0.332 316 N C 0.399 175.850 175.510 -0.099 0.000 1.492 316 N CA -0.751 52.246 53.050 -0.089 0.000 0.867 316 N CB 0.280 38.718 38.487 -0.082 0.000 1.899 316 N HN 0.156 nan 8.380 nan 0.000 0.502 317 E N -0.302 119.847 120.200 -0.085 0.000 2.118 317 E HA -0.138 4.217 4.350 0.009 0.000 0.195 317 E C 0.958 177.484 176.600 -0.123 0.000 0.992 317 E CA 1.511 57.860 56.400 -0.085 0.000 0.804 317 E CB -0.474 29.187 29.700 -0.064 0.000 0.741 317 E HN 0.468 nan 8.360 nan 0.000 0.458 318 I N 2.107 122.580 120.570 -0.161 0.000 2.252 318 I HA -0.111 4.064 4.170 0.009 0.000 0.245 318 I C 2.609 178.528 176.117 -0.330 0.000 1.102 318 I CA 1.635 62.780 61.300 -0.259 0.000 1.385 318 I CB -0.789 37.010 38.000 -0.335 0.000 1.064 318 I HN 0.269 nan 8.210 nan 0.000 0.414 319 G N 0.079 108.704 108.800 -0.292 0.000 2.418 319 G HA2 -0.220 3.745 3.960 0.009 0.000 0.217 319 G HA3 -0.220 3.745 3.960 0.009 0.000 0.217 319 G C 1.382 176.183 174.900 -0.165 0.000 1.158 319 G CA 0.876 45.823 45.100 -0.254 0.000 0.771 319 G HN 0.304 nan 8.290 nan 0.000 0.545 320 D N 0.220 120.547 120.400 -0.122 0.000 2.117 320 D HA -0.103 4.543 4.640 0.009 0.000 0.197 320 D C 2.414 178.671 176.300 -0.072 0.000 0.987 320 D CA 0.632 54.592 54.000 -0.068 0.000 0.829 320 D CB -0.320 40.448 40.800 -0.054 0.000 0.961 320 D HN 0.224 nan 8.370 nan 0.000 0.460 321 L N 0.953 122.104 121.223 -0.120 0.000 2.012 321 L HA -0.148 4.197 4.340 0.009 0.000 0.210 321 L C 2.314 179.082 176.870 -0.170 0.000 1.073 321 L CA 1.424 56.188 54.840 -0.127 0.000 0.748 321 L CB -0.668 41.297 42.059 -0.155 0.000 0.891 321 L HN 0.010 nan 8.230 nan 0.000 0.431 322 L N -1.221 119.839 121.223 -0.272 0.000 2.017 322 L HA -0.266 4.079 4.340 0.009 0.000 0.208 322 L C 2.664 179.400 176.870 -0.223 0.000 1.073 322 L CA 1.555 56.145 54.840 -0.418 0.000 0.745 322 L CB -0.701 41.005 42.059 -0.588 0.000 0.894 322 L HN 0.401 nan 8.230 nan 0.000 0.432 323 Q N -0.155 119.596 119.800 -0.083 0.000 2.061 323 Q HA -0.211 4.135 4.340 0.009 0.000 0.204 323 Q C 2.120 178.203 176.000 0.138 0.000 0.984 323 Q CA 1.666 57.505 55.803 0.060 0.000 0.846 323 Q CB -0.057 28.746 28.738 0.109 0.000 0.902 323 Q HN 0.548 nan 8.270 nan 0.000 0.421 324 N N 0.312 119.091 118.700 0.132 0.000 2.062 324 N HA -0.112 4.633 4.740 0.009 0.000 0.191 324 N C 1.702 177.327 175.510 0.190 0.000 1.042 324 N CA 1.136 54.329 53.050 0.239 0.000 0.845 324 N CB -0.264 38.311 38.487 0.146 0.000 1.024 324 N HN 0.187 nan 8.380 nan 0.000 0.424 325 R N 0.083 120.599 120.500 0.028 0.000 2.152 325 R HA -0.003 4.343 4.340 0.009 0.000 0.232 325 R C 1.870 178.087 176.300 -0.137 0.000 1.117 325 R CA 1.103 57.173 56.100 -0.050 0.000 0.981 325 R CB -0.238 30.009 30.300 -0.089 0.000 0.870 325 R HN 0.213 nan 8.270 nan 0.000 0.451 326 G N -1.320 107.423 108.800 -0.094 0.000 3.088 326 G HA2 -0.056 3.909 3.960 0.009 0.000 0.217 326 G HA3 -0.056 3.909 3.960 0.009 0.000 0.217 326 G C -0.426 174.380 174.900 -0.157 0.000 1.159 326 G CA -0.272 44.796 45.100 -0.053 0.000 0.760 326 G HN 0.507 nan 8.290 nan 0.000 0.550 327 H N 0.233 119.064 119.070 -0.399 0.000 2.655 327 H HA -0.110 4.451 4.556 0.009 0.000 0.313 327 H C -0.282 174.299 175.328 -1.246 0.000 1.141 327 H CA 0.105 55.445 56.048 -1.179 0.000 1.138 327 H CB -0.575 28.682 29.762 -0.842 0.000 1.446 327 H HN 0.346 nan 8.280 nan 0.000 0.415 328 E N 0.900 120.823 120.200 -0.462 0.000 1.814 328 E HA 0.089 4.444 4.350 0.009 0.000 0.264 328 E C -0.056 176.551 176.600 0.012 0.000 1.179 328 E CA 0.240 56.533 56.400 -0.179 0.000 0.972 328 E CB -0.320 29.418 29.700 0.063 0.000 1.077 328 E HN 0.419 nan 8.360 nan 0.000 0.417 329 W N -0.638 120.709 121.300 0.080 0.000 3.363 329 W HA 0.472 5.138 4.660 0.009 0.000 0.306 329 W C -0.026 176.517 176.519 0.040 0.000 1.253 329 W CA -1.787 55.585 57.345 0.045 0.000 1.195 329 W CB -0.115 29.358 29.460 0.021 0.000 1.366 329 W HN 0.281 nan 8.180 nan 0.000 0.551 330 G N 2.001 110.985 108.800 0.306 0.000 2.239 330 G HA2 0.149 4.114 3.960 0.009 0.000 0.278 330 G HA3 0.149 4.114 3.960 0.009 0.000 0.278 330 G C 0.701 175.760 174.900 0.265 0.000 1.071 330 G CA 0.284 45.508 45.100 0.206 0.000 1.198 330 G HN 1.345 nan 8.290 nan 0.000 0.410 331 V N 2.974 123.024 119.914 0.227 0.000 2.511 331 V HA -0.236 3.889 4.120 0.009 0.000 0.257 331 V C 2.451 178.638 176.094 0.156 0.000 1.088 331 V CA 3.488 65.923 62.300 0.224 0.000 1.098 331 V CB -0.455 31.451 31.823 0.140 0.000 0.674 331 V HN 0.941 nan 8.190 nan 0.000 0.470 332 T N -4.759 109.860 114.554 0.110 0.000 3.480 332 T HA -0.087 4.268 4.350 0.009 0.000 0.229 332 T C 1.890 176.618 174.700 0.046 0.000 0.944 332 T CA 1.229 63.365 62.100 0.060 0.000 1.388 332 T CB -0.444 68.441 68.868 0.030 0.000 1.180 332 T HN 0.308 nan 8.240 nan 0.000 0.414 333 T N 0.619 115.198 114.554 0.042 0.000 2.848 333 T HA 0.055 4.410 4.350 0.009 0.000 0.269 333 T C 1.776 176.491 174.700 0.026 0.000 1.081 333 T CA 2.409 64.526 62.100 0.028 0.000 1.125 333 T CB -1.537 67.349 68.868 0.030 0.000 0.848 333 T HN 1.340 nan 8.240 nan 0.000 0.503 334 G N 0.963 109.797 108.800 0.057 0.000 2.220 334 G HA2 -0.286 3.679 3.960 0.009 0.000 0.269 334 G HA3 -0.286 3.679 3.960 0.009 0.000 0.269 334 G C 0.235 175.163 174.900 0.046 0.000 0.977 334 G CA 0.292 45.407 45.100 0.024 0.000 0.634 334 G HN 0.628 nan 8.290 nan 0.000 0.539 335 R N 0.935 121.476 120.500 0.069 0.000 2.538 335 R HA 0.179 4.524 4.340 0.009 0.000 0.282 335 R C 0.760 177.143 176.300 0.138 0.000 1.009 335 R CA 0.369 56.511 56.100 0.069 0.000 1.063 335 R CB 0.344 30.676 30.300 0.053 0.000 0.945 335 R HN 0.433 nan 8.270 nan 0.000 0.414 336 K N 3.174 123.647 120.400 0.122 0.000 2.295 336 K HA 0.141 4.466 4.320 0.009 0.000 0.270 336 K C 0.459 177.144 176.600 0.142 0.000 1.011 336 K CA -0.189 56.210 56.287 0.186 0.000 0.953 336 K CB 0.745 33.328 32.500 0.138 0.000 0.956 336 K HN 0.266 nan 8.250 nan 0.000 0.477 337 R N 2.184 122.782 120.500 0.163 0.000 2.428 337 R HA 0.243 4.588 4.340 0.009 0.000 0.294 337 R C -0.150 176.227 176.300 0.128 0.000 1.000 337 R CA -0.744 55.427 56.100 0.118 0.000 0.960 337 R CB 1.089 31.458 30.300 0.115 0.000 1.076 337 R HN 0.460 nan 8.270 nan 0.000 0.475 338 R N 0.994 121.571 120.500 0.128 0.000 2.491 338 R HA 0.206 4.551 4.340 0.009 0.000 0.283 338 R C -0.457 176.065 176.300 0.369 0.000 1.072 338 R CA -0.075 56.149 56.100 0.207 0.000 1.048 338 R CB 0.501 30.956 30.300 0.259 0.000 0.983 338 R HN 0.514 nan 8.270 nan 0.000 0.450 339 C N 1.405 120.853 119.300 0.246 0.000 2.561 339 C HA 0.899 5.365 4.460 0.009 0.000 0.319 339 C C 0.576 175.559 174.990 -0.012 0.000 1.198 339 C CA -0.493 58.673 59.018 0.248 0.000 1.665 339 C CB 1.685 29.472 27.740 0.077 0.000 2.258 339 C HN 0.995 nan 8.230 nan 0.000 0.493 340 G N 0.028 108.902 108.800 0.124 0.000 2.645 340 G HA2 0.601 4.566 3.960 0.009 0.000 0.292 340 G HA3 0.601 4.566 3.960 0.009 0.000 0.292 340 G C -1.640 173.328 174.900 0.113 0.000 1.415 340 G CA -0.688 44.325 45.100 -0.146 0.000 0.785 340 G HN 0.726 nan 8.290 nan 0.000 0.483 341 W N -0.768 120.679 121.300 0.244 0.000 2.034 341 W HA 0.478 5.142 4.660 0.008 0.000 0.357 341 W C 0.817 177.583 176.519 0.411 0.000 1.326 341 W CA -0.530 57.001 57.345 0.310 0.000 1.318 341 W CB 0.528 30.165 29.460 0.296 0.000 1.193 341 W HN 0.406 nan 8.180 nan 0.000 0.620 342 L N 2.423 124.067 121.223 0.703 0.000 2.483 342 L HA 0.024 4.369 4.340 0.009 0.000 0.276 342 L C -0.157 176.989 176.870 0.459 0.000 1.213 342 L CA 0.852 55.996 54.840 0.508 0.000 0.843 342 L CB 0.156 42.479 42.059 0.439 0.000 1.107 342 L HN 0.271 nan 8.230 nan 0.000 0.487 343 D N 3.713 124.330 120.400 0.362 0.000 2.389 343 D HA 0.166 4.811 4.640 0.009 0.000 0.256 343 D C 0.673 177.072 176.300 0.165 0.000 1.239 343 D CA -0.262 53.924 54.000 0.311 0.000 0.925 343 D CB 0.723 41.774 40.800 0.417 0.000 1.145 343 D HN 0.579 nan 8.370 nan 0.000 0.542 344 L N 2.487 123.777 121.223 0.111 0.000 2.362 344 L HA -0.086 4.259 4.340 0.009 0.000 0.219 344 L C 2.224 179.084 176.870 -0.018 0.000 1.134 344 L CA 0.536 55.404 54.840 0.047 0.000 0.807 344 L CB -0.166 41.913 42.059 0.034 0.000 0.927 344 L HN 0.443 nan 8.230 nan 0.000 0.447 345 M N -0.273 119.267 119.600 -0.099 0.000 2.156 345 M HA -0.127 4.358 4.480 0.009 0.000 0.264 345 M C 2.474 178.695 176.300 -0.131 0.000 1.067 345 M CA 1.712 56.870 55.300 -0.236 0.000 1.131 345 M CB -0.692 31.391 32.600 -0.861 0.000 1.368 345 M HN 0.345 nan 8.290 nan 0.000 0.416 346 I N -1.195 119.295 120.570 -0.133 0.000 2.439 346 I HA -0.162 4.013 4.170 0.009 0.000 0.251 346 I C 1.802 177.822 176.117 -0.161 0.000 1.139 346 I CA 1.309 62.384 61.300 -0.375 0.000 1.438 346 I CB -0.578 37.155 38.000 -0.446 0.000 1.085 346 I HN 0.017 nan 8.210 nan 0.000 0.427 347 L N 1.030 122.228 121.223 -0.041 0.000 1.994 347 L HA -0.082 4.263 4.340 0.009 0.000 0.208 347 L C 2.807 179.735 176.870 0.096 0.000 1.071 347 L CA 1.764 56.632 54.840 0.046 0.000 0.745 347 L CB -1.622 40.471 42.059 0.057 0.000 0.892 347 L HN 0.352 nan 8.230 nan 0.000 0.431 348 R N -1.606 118.935 120.500 0.068 0.000 2.096 348 R HA -0.240 4.105 4.340 0.009 0.000 0.235 348 R C 2.256 178.595 176.300 0.064 0.000 1.127 348 R CA 1.562 57.718 56.100 0.092 0.000 0.968 348 R CB -0.555 29.782 30.300 0.061 0.000 0.861 348 R HN 0.309 nan 8.270 nan 0.000 0.440 349 Y N 1.081 121.323 120.300 -0.097 0.000 2.181 349 Y HA -0.216 4.340 4.550 0.008 0.000 0.288 349 Y C 2.200 177.992 175.900 -0.180 0.000 1.146 349 Y CA 1.400 59.414 58.100 -0.143 0.000 1.164 349 Y CB -0.331 37.968 38.460 -0.269 0.000 0.982 349 Y HN 0.039 nan 8.280 nan 0.000 0.515 350 A N -0.828 121.906 122.820 -0.143 0.000 2.015 350 A HA -0.209 4.116 4.320 0.009 0.000 0.219 350 A C 2.247 179.622 177.584 -0.348 0.000 1.163 350 A CA 1.695 53.614 52.037 -0.197 0.000 0.646 350 A CB -1.211 17.842 19.000 0.088 0.000 0.806 350 A HN 0.789 nan 8.150 nan 0.000 0.448 351 H N -1.037 117.853 119.070 -0.300 0.000 2.372 351 H HA 0.048 4.609 4.556 0.009 0.000 0.301 351 H C 2.001 177.066 175.328 -0.438 0.000 1.065 351 H CA 1.264 57.055 56.048 -0.429 0.000 1.364 351 H CB -0.059 29.662 29.762 -0.069 0.000 1.406 351 H HN 0.446 nan 8.280 nan 0.000 0.521 352 M N 0.178 119.501 119.600 -0.462 0.000 2.149 352 M HA -0.177 4.308 4.480 0.009 0.000 0.261 352 M C 2.379 178.331 176.300 -0.580 0.000 1.064 352 M CA 1.281 56.283 55.300 -0.496 0.000 1.102 352 M CB 0.061 32.453 32.600 -0.347 0.000 1.369 352 M HN 0.125 nan 8.290 nan 0.000 0.408 353 V N 0.138 119.632 119.914 -0.700 0.000 2.331 353 V HA -0.160 3.965 4.120 0.009 0.000 0.242 353 V C 1.842 177.575 176.094 -0.601 0.000 1.034 353 V CA 1.522 63.366 62.300 -0.759 0.000 1.027 353 V CB -0.584 30.649 31.823 -0.982 0.000 0.667 353 V HN 0.447 nan 8.190 nan 0.000 0.457 354 N N 0.262 118.568 118.700 -0.657 0.000 2.416 354 N HA 0.039 4.785 4.740 0.009 0.000 0.177 354 N C 1.475 176.654 175.510 -0.552 0.000 1.036 354 N CA 1.022 53.695 53.050 -0.629 0.000 0.901 354 N CB 0.105 38.043 38.487 -0.915 0.000 0.976 354 N HN 0.545 nan 8.380 nan 0.000 0.444 355 G N 1.635 110.080 108.800 -0.592 0.000 2.350 355 G HA2 -0.289 3.676 3.960 0.009 0.000 0.298 355 G HA3 -0.289 3.676 3.960 0.009 0.000 0.298 355 G C -0.146 174.736 174.900 -0.030 0.000 1.037 355 G CA -0.187 44.699 45.100 -0.357 0.000 1.074 355 G HN 0.304 nan 8.290 nan 0.000 0.511 356 F N -0.231 119.909 119.950 0.316 0.000 2.602 356 F HA 0.217 4.750 4.527 0.010 0.000 0.367 356 F C 2.163 178.033 175.800 0.118 0.000 1.126 356 F CA 0.648 58.742 58.000 0.157 0.000 1.321 356 F CB 0.678 39.732 39.000 0.090 0.000 1.094 356 F HN 0.260 nan 8.300 nan 0.000 0.594 357 T N -0.517 114.195 114.554 0.262 0.000 3.037 357 T HA 0.574 4.929 4.350 0.009 0.000 0.252 357 T C 0.287 175.113 174.700 0.209 0.000 1.073 357 T CA 0.330 62.528 62.100 0.162 0.000 1.091 357 T CB 0.280 69.184 68.868 0.060 0.000 0.935 357 T HN 0.724 nan 8.240 nan 0.000 0.488 358 A N 0.327 123.328 122.820 0.301 0.000 2.601 358 A HA 0.728 5.053 4.320 0.009 0.000 0.291 358 A C -1.825 175.899 177.584 0.233 0.000 1.075 358 A CA -1.031 51.188 52.037 0.302 0.000 0.671 358 A CB 0.838 20.081 19.000 0.405 0.000 1.277 358 A HN 0.305 nan 8.150 nan 0.000 0.417 359 L N 0.102 121.367 121.223 0.070 0.000 2.323 359 L HA 0.837 5.182 4.340 0.009 0.000 0.265 359 L C 0.235 177.120 176.870 0.025 0.000 1.012 359 L CA -0.947 53.876 54.840 -0.028 0.000 0.820 359 L CB 2.238 44.241 42.059 -0.093 0.000 1.334 359 L HN 0.921 nan 8.230 nan 0.000 0.427 360 A N 2.402 125.235 122.820 0.021 0.000 2.328 360 A HA 0.562 4.887 4.320 0.009 0.000 0.318 360 A C -1.013 176.585 177.584 0.024 0.000 1.347 360 A CA -0.387 51.701 52.037 0.086 0.000 0.842 360 A CB 0.689 19.706 19.000 0.029 0.000 1.148 360 A HN 0.495 nan 8.150 nan 0.000 0.499 361 L N 4.120 125.380 121.223 0.061 0.000 2.283 361 L HA 0.514 4.859 4.340 0.009 0.000 0.287 361 L C 0.720 177.636 176.870 0.076 0.000 1.073 361 L CA 0.620 55.504 54.840 0.073 0.000 0.822 361 L CB 0.582 42.713 42.059 0.120 0.000 1.186 361 L HN 0.729 nan 8.230 nan 0.000 0.436 362 T N 0.911 115.492 114.554 0.044 0.000 2.952 362 T HA 0.462 4.818 4.350 0.009 0.000 0.286 362 T C 0.197 174.927 174.700 0.051 0.000 1.024 362 T CA -0.787 61.328 62.100 0.026 0.000 1.029 362 T CB 1.209 70.059 68.868 -0.030 0.000 1.094 362 T HN 0.579 nan 8.240 nan 0.000 0.515 363 K N 0.077 120.511 120.400 0.057 0.000 3.071 363 K HA -0.158 4.167 4.320 0.009 0.000 0.265 363 K C 0.674 177.394 176.600 0.201 0.000 1.060 363 K CA 0.443 56.798 56.287 0.114 0.000 0.767 363 K CB -1.533 31.040 32.500 0.121 0.000 1.241 363 K HN 0.568 nan 8.250 nan 0.000 0.486 364 L N 1.779 123.105 121.223 0.172 0.000 2.131 364 L HA -0.171 4.174 4.340 0.009 0.000 0.210 364 L C 2.256 179.291 176.870 0.276 0.000 1.092 364 L CA 2.419 57.391 54.840 0.220 0.000 0.759 364 L CB -0.238 41.884 42.059 0.105 0.000 0.903 364 L HN 0.380 nan 8.230 nan 0.000 0.435 365 D N -0.717 119.792 120.400 0.182 0.000 2.182 365 D HA -0.272 4.373 4.640 0.009 0.000 0.201 365 D C 2.065 178.455 176.300 0.151 0.000 0.986 365 D CA 1.412 55.515 54.000 0.172 0.000 0.847 365 D CB -0.438 40.414 40.800 0.087 0.000 0.942 365 D HN 0.394 nan 8.370 nan 0.000 0.467 366 I N 0.956 121.608 120.570 0.137 0.000 2.423 366 I HA -0.206 3.969 4.170 0.009 0.000 0.254 366 I C 2.343 178.455 176.117 -0.008 0.000 1.151 366 I CA 0.896 62.227 61.300 0.053 0.000 1.421 366 I CB -0.232 37.825 38.000 0.095 0.000 1.079 366 I HN 0.048 nan 8.210 nan 0.000 0.431 367 L N -0.441 120.823 121.223 0.068 0.000 2.592 367 L HA 0.022 4.367 4.340 0.009 0.000 0.227 367 L C 1.440 178.099 176.870 -0.350 0.000 1.127 367 L CA 0.012 54.778 54.840 -0.124 0.000 0.884 367 L CB -0.547 41.445 42.059 -0.111 0.000 1.065 367 L HN 0.120 nan 8.230 nan 0.000 0.457 368 D N 0.699 121.086 120.400 -0.023 0.000 2.228 368 D HA -0.170 4.475 4.640 0.009 0.000 0.203 368 D C 2.107 178.241 176.300 -0.278 0.000 0.988 368 D CA 1.583 55.573 54.000 -0.016 0.000 0.864 368 D CB 0.109 41.016 40.800 0.177 0.000 0.928 368 D HN 0.368 nan 8.370 nan 0.000 0.469 369 V N -2.226 117.546 119.914 -0.237 0.000 3.660 369 V HA 0.211 4.337 4.120 0.009 0.000 0.276 369 V C 0.802 176.756 176.094 -0.233 0.000 1.317 369 V CA -0.187 61.993 62.300 -0.200 0.000 1.097 369 V CB -0.447 31.305 31.823 -0.118 0.000 0.863 369 V HN -0.072 nan 8.190 nan 0.000 0.438 370 L N 1.137 122.173 121.223 -0.312 0.000 2.397 370 L HA 0.313 4.658 4.340 0.009 0.000 0.271 370 L C 1.683 178.390 176.870 -0.273 0.000 1.148 370 L CA 0.108 54.801 54.840 -0.245 0.000 0.825 370 L CB 1.254 43.196 42.059 -0.196 0.000 1.117 370 L HN 0.117 nan 8.230 nan 0.000 0.456 371 S N 0.820 116.417 115.700 -0.172 0.000 2.436 371 S HA -0.049 4.426 4.470 0.009 0.000 0.228 371 S C 0.248 174.753 174.600 -0.159 0.000 1.014 371 S CA 0.677 58.788 58.200 -0.150 0.000 0.950 371 S CB -0.139 63.003 63.200 -0.097 0.000 0.784 371 S HN 0.797 nan 8.310 nan 0.000 0.504 372 E N -0.124 119.981 120.200 -0.157 0.000 2.412 372 E HA 0.554 4.909 4.350 0.009 0.000 0.279 372 E C -1.731 174.740 176.600 -0.213 0.000 0.984 372 E CA -0.939 55.355 56.400 -0.178 0.000 0.788 372 E CB 1.194 30.801 29.700 -0.155 0.000 1.277 372 E HN -0.079 nan 8.360 nan 0.000 0.455 373 I N 1.471 121.865 120.570 -0.293 0.000 2.466 373 I HA 0.372 4.547 4.170 0.009 0.000 0.289 373 I C -0.239 175.474 176.117 -0.674 0.000 1.026 373 I CA -0.863 60.182 61.300 -0.426 0.000 1.078 373 I CB 1.416 39.323 38.000 -0.156 0.000 1.249 373 I HN 0.576 nan 8.210 nan 0.000 0.429 374 K N 3.522 123.026 120.400 -1.492 0.000 2.095 374 K HA 0.759 5.084 4.320 0.009 0.000 0.252 374 K C -0.855 175.413 176.600 -0.552 0.000 0.977 374 K CA -0.797 54.805 56.287 -1.142 0.000 0.900 374 K CB 2.717 34.179 32.500 -1.730 0.000 1.060 374 K HN 0.364 nan 8.250 nan 0.000 0.449 375 V N 0.583 120.456 119.914 -0.068 0.000 2.711 375 V HA 0.434 4.559 4.120 0.009 0.000 0.304 375 V C -0.683 175.592 176.094 0.302 0.000 1.097 375 V CA -0.502 61.923 62.300 0.208 0.000 0.906 375 V CB 1.653 33.537 31.823 0.101 0.000 1.015 375 V HN 0.855 nan 8.190 nan 0.000 0.427 376 G N 5.421 114.404 108.800 0.304 0.000 2.334 376 G HA2 0.411 4.377 3.960 0.009 0.000 0.261 376 G HA3 0.411 4.377 3.960 0.009 0.000 0.261 376 G C 0.611 175.542 174.900 0.051 0.000 1.257 376 G CA 0.293 45.398 45.100 0.008 0.000 0.935 376 G HN 1.386 nan 8.290 nan 0.000 0.480 377 I N 0.428 121.002 120.570 0.007 0.000 3.939 377 I HA 0.357 4.532 4.170 0.009 0.000 0.313 377 I C 0.759 176.870 176.117 -0.011 0.000 1.274 377 I CA 0.124 61.440 61.300 0.027 0.000 1.301 377 I CB 0.392 38.438 38.000 0.076 0.000 1.105 377 I HN 0.463 nan 8.210 nan 0.000 0.427 378 S N -1.006 114.678 115.700 -0.027 0.000 2.615 378 S HA 0.573 5.048 4.470 0.009 0.000 0.269 378 S C -1.530 173.127 174.600 0.095 0.000 1.161 378 S CA -0.698 57.474 58.200 -0.046 0.000 0.817 378 S CB 1.555 64.757 63.200 0.002 0.000 1.131 378 S HN 0.116 nan 8.310 nan 0.000 0.467 379 Y N 0.635 120.917 120.300 -0.031 0.000 2.409 379 Y HA 0.669 5.224 4.550 0.009 0.000 0.339 379 Y C 0.151 176.014 175.900 -0.062 0.000 1.033 379 Y CA -1.500 56.568 58.100 -0.054 0.000 1.094 379 Y CB 1.758 40.175 38.460 -0.072 0.000 1.210 379 Y HN 0.685 nan 8.280 nan 0.000 0.456 380 K N 2.846 123.307 120.400 0.102 0.000 2.376 380 K HA 0.422 4.747 4.320 0.009 0.000 0.257 380 K C -0.620 175.980 176.600 -0.000 0.000 0.939 380 K CA -0.672 55.638 56.287 0.037 0.000 0.809 380 K CB 2.559 35.078 32.500 0.032 0.000 1.121 380 K HN 0.372 nan 8.250 nan 0.000 0.425 381 L N 2.067 123.285 121.223 -0.008 0.000 2.721 381 L HA 0.239 4.584 4.340 0.009 0.000 0.154 381 L C 1.232 178.098 176.870 -0.005 0.000 1.831 381 L CA 0.534 55.362 54.840 -0.020 0.000 2.816 381 L CB -0.164 41.882 42.059 -0.022 0.000 3.008 381 L HN 0.605 nan 8.230 nan 0.000 0.696 382 N N -0.135 118.565 118.700 0.001 0.000 2.242 382 N HA -0.149 4.596 4.740 0.009 0.000 0.191 382 N C 0.959 176.476 175.510 0.011 0.000 1.005 382 N CA 1.629 54.683 53.050 0.008 0.000 0.877 382 N CB -0.057 38.438 38.487 0.013 0.000 0.983 382 N HN 0.760 nan 8.380 nan 0.000 0.439 383 G N -1.664 107.144 108.800 0.013 0.000 4.320 383 G HA2 -0.037 3.928 3.960 0.009 0.000 0.150 383 G HA3 -0.037 3.928 3.960 0.009 0.000 0.150 383 G C 0.010 174.922 174.900 0.019 0.000 0.889 383 G CA -0.308 44.802 45.100 0.016 0.000 0.877 383 G HN -0.038 nan 8.290 nan 0.000 0.425 384 K N 1.096 121.507 120.400 0.019 0.000 2.166 384 K HA 0.589 4.914 4.320 0.009 0.000 0.245 384 K C -0.030 176.581 176.600 0.018 0.000 0.967 384 K CA -0.780 55.520 56.287 0.022 0.000 0.863 384 K CB 1.632 34.147 32.500 0.026 0.000 1.107 384 K HN 0.143 nan 8.250 nan 0.000 0.436 385 R N 1.442 121.955 120.500 0.021 0.000 2.491 385 R HA 0.219 4.564 4.340 0.009 0.000 0.283 385 R C 0.462 176.760 176.300 -0.004 0.000 1.072 385 R CA -0.208 55.902 56.100 0.017 0.000 1.048 385 R CB -0.038 30.276 30.300 0.022 0.000 0.983 385 R HN 0.543 nan 8.270 nan 0.000 0.450 386 I N 1.135 121.678 120.570 -0.045 0.000 2.315 386 I HA 0.310 4.485 4.170 0.009 0.000 0.291 386 I C -1.747 174.280 176.117 -0.150 0.000 1.006 386 I CA -2.380 58.821 61.300 -0.166 0.000 1.265 386 I CB 1.621 39.389 38.000 -0.387 0.000 1.387 386 I HN 0.463 nan 8.210 nan 0.000 0.475 387 P HA 0.021 nan 4.420 nan 0.000 0.245 387 P C -0.734 176.647 177.300 0.134 0.000 1.212 387 P CA 0.773 63.909 63.100 0.060 0.000 0.774 387 P CB -0.323 31.453 31.700 0.127 0.000 0.999 388 Y N -3.043 117.309 120.300 0.086 0.000 2.609 388 Y HA 0.639 5.194 4.550 0.009 0.000 0.342 388 Y C -1.077 174.924 175.900 0.169 0.000 1.058 388 Y CA -2.562 55.617 58.100 0.130 0.000 1.055 388 Y CB 0.364 38.898 38.460 0.124 0.000 1.292 388 Y HN -0.304 nan 8.280 nan 0.000 0.476 389 F N 4.389 124.433 119.950 0.157 0.000 2.421 389 F HA 0.598 5.130 4.527 0.009 0.000 0.358 389 F C -2.418 173.464 175.800 0.138 0.000 1.115 389 F CA -2.924 55.091 58.000 0.024 0.000 1.160 389 F CB 0.738 39.574 39.000 -0.273 0.000 1.123 389 F HN 0.332 nan 8.300 nan 0.000 0.508 390 P HA 0.080 nan 4.420 nan 0.000 0.265 390 P C -0.309 176.902 177.300 -0.148 0.000 1.193 390 P CA 0.269 63.319 63.100 -0.085 0.000 0.765 390 P CB 1.057 32.648 31.700 -0.181 0.000 0.823 391 A N 3.353 126.208 122.820 0.059 0.000 1.975 391 A HA -0.050 4.275 4.320 0.009 0.000 0.215 391 A C 1.070 178.705 177.584 0.086 0.000 1.170 391 A CA 0.630 52.723 52.037 0.093 0.000 0.656 391 A CB -0.636 18.436 19.000 0.119 0.000 0.821 391 A HN 0.656 nan 8.150 nan 0.000 0.449 392 N N -0.033 118.704 118.700 0.062 0.000 2.514 392 N HA 0.072 4.817 4.740 0.009 0.000 0.277 392 N C 0.654 176.203 175.510 0.064 0.000 1.126 392 N CA -0.416 52.677 53.050 0.072 0.000 0.978 392 N CB 0.516 39.039 38.487 0.059 0.000 1.106 392 N HN 0.207 nan 8.380 nan 0.000 0.461 393 Q N 1.944 121.812 119.800 0.112 0.000 2.124 393 Q HA -0.217 4.128 4.340 0.009 0.000 0.202 393 Q C 1.499 177.546 176.000 0.078 0.000 0.977 393 Q CA 1.549 57.431 55.803 0.133 0.000 0.850 393 Q CB -0.080 28.790 28.738 0.221 0.000 0.901 393 Q HN 0.810 nan 8.270 nan 0.000 0.429 394 E N -0.043 120.197 120.200 0.065 0.000 2.110 394 E HA -0.169 4.186 4.350 0.009 0.000 0.193 394 E C 1.808 178.415 176.600 0.012 0.000 0.988 394 E CA 0.990 57.415 56.400 0.041 0.000 0.804 394 E CB -0.313 29.412 29.700 0.041 0.000 0.745 394 E HN 0.167 nan 8.360 nan 0.000 0.458 395 I N 0.888 121.460 120.570 0.003 0.000 2.202 395 I HA -0.173 4.002 4.170 0.009 0.000 0.242 395 I C 2.322 178.390 176.117 -0.082 0.000 1.091 395 I CA 0.684 61.968 61.300 -0.026 0.000 1.368 395 I CB -0.374 37.621 38.000 -0.009 0.000 1.058 395 I HN 0.161 nan 8.210 nan 0.000 0.410 396 L N 0.187 121.348 121.223 -0.103 0.000 2.187 396 L HA -0.220 4.125 4.340 0.009 0.000 0.213 396 L C 2.329 179.131 176.870 -0.114 0.000 1.100 396 L CA 1.715 56.450 54.840 -0.175 0.000 0.765 396 L CB -0.678 41.289 42.059 -0.153 0.000 0.904 396 L HN 0.290 nan 8.230 nan 0.000 0.437 397 Q N -0.504 119.270 119.800 -0.044 0.000 2.378 397 Q HA -0.117 4.228 4.340 0.009 0.000 0.205 397 Q C 1.814 177.790 176.000 -0.040 0.000 0.954 397 Q CA 1.424 57.215 55.803 -0.020 0.000 0.901 397 Q CB 0.048 28.793 28.738 0.011 0.000 0.981 397 Q HN 0.473 nan 8.270 nan 0.000 0.483 398 K N -0.414 119.951 120.400 -0.057 0.000 2.361 398 K HA 0.132 4.457 4.320 0.009 0.000 0.194 398 K C 0.140 176.689 176.600 -0.084 0.000 1.032 398 K CA 0.397 56.653 56.287 -0.052 0.000 1.048 398 K CB 0.651 33.131 32.500 -0.033 0.000 0.842 398 K HN 0.180 nan 8.250 nan 0.000 0.526 399 V N 0.887 120.708 119.914 -0.155 0.000 2.673 399 V HA 0.059 4.184 4.120 0.009 0.000 0.303 399 V C -0.088 175.908 176.094 -0.164 0.000 1.046 399 V CA -0.491 61.679 62.300 -0.216 0.000 1.126 399 V CB 0.846 32.372 31.823 -0.495 0.000 0.934 399 V HN 0.178 nan 8.190 nan 0.000 0.487 400 E N 3.644 123.787 120.200 -0.096 0.000 2.197 400 E HA 0.555 4.910 4.350 0.009 0.000 0.281 400 E C -1.228 175.357 176.600 -0.026 0.000 0.995 400 E CA -0.813 55.566 56.400 -0.035 0.000 0.808 400 E CB 1.943 31.642 29.700 -0.001 0.000 1.093 400 E HN 0.734 nan 8.360 nan 0.000 0.394 401 V N 4.373 124.269 119.914 -0.031 0.000 2.427 401 V HA 0.207 4.333 4.120 0.009 0.000 0.286 401 V C 0.002 175.993 176.094 -0.171 0.000 1.034 401 V CA -0.572 61.665 62.300 -0.105 0.000 0.893 401 V CB 1.446 33.087 31.823 -0.303 0.000 0.982 401 V HN 0.742 nan 8.190 nan 0.000 0.452 402 E N 3.624 123.744 120.200 -0.134 0.000 2.134 402 E HA 0.387 4.743 4.350 0.009 0.000 0.278 402 E C -1.667 174.852 176.600 -0.135 0.000 0.959 402 E CA -0.432 55.934 56.400 -0.058 0.000 0.783 402 E CB 0.912 30.622 29.700 0.017 0.000 1.095 402 E HN 0.619 nan 8.360 nan 0.000 0.399 403 Y N 2.031 122.364 120.300 0.055 0.000 2.453 403 Y HA 0.292 4.847 4.550 0.008 0.000 0.326 403 Y C 0.109 175.997 175.900 -0.020 0.000 1.186 403 Y CA -0.819 57.285 58.100 0.007 0.000 1.200 403 Y CB 1.527 39.950 38.460 -0.061 0.000 1.247 403 Y HN 0.523 nan 8.280 nan 0.000 0.482 404 E N 0.402 120.680 120.200 0.130 0.000 2.199 404 E HA 0.393 4.748 4.350 0.009 0.000 0.265 404 E C -1.476 175.046 176.600 -0.130 0.000 0.882 404 E CA -0.577 55.836 56.400 0.022 0.000 0.759 404 E CB 1.162 30.907 29.700 0.075 0.000 1.148 404 E HN 0.541 nan 8.360 nan 0.000 0.412 405 T N 5.336 119.807 114.554 -0.138 0.000 2.744 405 T HA 0.449 4.804 4.350 0.009 0.000 0.291 405 T C -0.282 174.299 174.700 -0.199 0.000 0.957 405 T CA -0.456 61.516 62.100 -0.214 0.000 1.002 405 T CB 0.122 68.887 68.868 -0.172 0.000 0.919 405 T HN 0.368 nan 8.240 nan 0.000 0.468 406 L N 5.691 126.774 121.223 -0.233 0.000 2.342 406 L HA 0.546 4.891 4.340 0.009 0.000 0.271 406 L C -2.136 174.669 176.870 -0.108 0.000 1.008 406 L CA -2.684 52.059 54.840 -0.162 0.000 0.818 406 L CB 1.902 43.860 42.059 -0.168 0.000 1.296 406 L HN 0.347 nan 8.230 nan 0.000 0.427 407 P HA 0.122 nan 4.420 nan 0.000 0.275 407 P C -0.252 177.022 177.300 -0.044 0.000 1.227 407 P CA -0.128 62.943 63.100 -0.049 0.000 0.781 407 P CB 1.158 32.852 31.700 -0.011 0.000 0.906 408 G N 1.292 110.006 108.800 -0.144 0.000 2.562 408 G HA2 0.243 4.208 3.960 0.009 0.000 0.275 408 G HA3 0.243 4.208 3.960 0.009 0.000 0.275 408 G C 0.241 175.062 174.900 -0.132 0.000 1.196 408 G CA -0.829 44.080 45.100 -0.319 0.000 0.908 408 G HN 0.680 nan 8.290 nan 0.000 0.524 409 W N -1.461 119.800 121.300 -0.066 0.000 2.942 409 W HA 0.350 5.017 4.660 0.012 0.000 0.263 409 W C 0.841 177.331 176.519 -0.049 0.000 1.296 409 W CA -0.609 56.703 57.345 -0.056 0.000 1.504 409 W CB -0.053 29.369 29.460 -0.064 0.000 1.096 409 W HN 0.442 nan 8.180 nan 0.000 0.639 410 K N 1.226 121.456 120.400 -0.283 0.000 3.490 410 K HA -0.023 4.302 4.320 0.009 0.000 0.273 410 K C -0.168 176.435 176.600 0.005 0.000 0.916 410 K CA 0.693 56.882 56.287 -0.164 0.000 0.718 410 K CB -1.787 30.651 32.500 -0.104 0.000 1.477 410 K HN 0.435 nan 8.250 nan 0.000 0.452 411 A N 0.835 123.732 122.820 0.128 0.000 2.604 411 A HA 0.374 4.699 4.320 0.009 0.000 0.295 411 A C -1.498 176.225 177.584 0.231 0.000 1.067 411 A CA -0.888 51.259 52.037 0.183 0.000 0.683 411 A CB 1.443 20.561 19.000 0.197 0.000 1.281 411 A HN 0.213 nan 8.150 nan 0.000 0.407 412 D N 1.749 122.223 120.400 0.124 0.000 2.338 412 D HA 0.309 4.954 4.640 0.009 0.000 0.255 412 D C 1.267 177.616 176.300 0.081 0.000 1.237 412 D CA 0.864 54.924 54.000 0.100 0.000 0.883 412 D CB 0.865 41.696 40.800 0.052 0.000 1.087 412 D HN 0.574 nan 8.370 nan 0.000 0.485 413 T N -0.277 114.331 114.554 0.091 0.000 3.105 413 T HA 0.029 4.384 4.350 0.009 0.000 0.253 413 T C 1.575 176.279 174.700 0.007 0.000 1.047 413 T CA -0.151 61.954 62.100 0.009 0.000 0.944 413 T CB -0.035 68.790 68.868 -0.071 0.000 1.016 413 T HN 0.217 nan 8.240 nan 0.000 0.544 414 T N 1.764 116.334 114.554 0.027 0.000 2.803 414 T HA -0.011 4.344 4.350 0.009 0.000 0.269 414 T C 1.976 176.681 174.700 0.008 0.000 1.052 414 T CA 1.704 63.815 62.100 0.018 0.000 1.136 414 T CB -0.650 68.230 68.868 0.019 0.000 0.864 414 T HN 0.657 nan 8.240 nan 0.000 0.467 415 G N 0.354 109.157 108.800 0.005 0.000 3.042 415 G HA2 0.460 4.425 3.960 0.009 0.000 0.212 415 G HA3 0.460 4.425 3.960 0.009 0.000 0.212 415 G C 0.473 175.371 174.900 -0.003 0.000 1.166 415 G CA 0.224 45.326 45.100 0.002 0.000 0.767 415 G HN 0.651 nan 8.290 nan 0.000 0.546 416 A N 0.402 123.214 122.820 -0.013 0.000 2.531 416 A HA 0.532 4.857 4.320 0.009 0.000 0.236 416 A C 1.230 178.814 177.584 0.001 0.000 1.062 416 A CA 0.170 52.194 52.037 -0.021 0.000 0.760 416 A CB 0.405 19.374 19.000 -0.052 0.000 0.995 416 A HN 0.244 nan 8.150 nan 0.000 0.501 417 R N 0.504 121.010 120.500 0.011 0.000 2.551 417 R HA 0.171 4.516 4.340 0.009 0.000 0.316 417 R C -0.443 175.885 176.300 0.048 0.000 0.934 417 R CA 0.340 56.458 56.100 0.029 0.000 1.117 417 R CB 0.361 30.675 30.300 0.023 0.000 1.626 417 R HN 0.766 nan 8.270 nan 0.000 0.513 418 K N -0.089 120.340 120.400 0.047 0.000 2.435 418 K HA 0.201 4.526 4.320 0.009 0.000 0.251 418 K C 0.104 176.776 176.600 0.120 0.000 0.954 418 K CA -0.735 55.603 56.287 0.085 0.000 0.820 418 K CB 2.168 34.706 32.500 0.063 0.000 1.292 418 K HN -0.095 nan 8.250 nan 0.000 0.436 419 W N 2.404 123.689 121.300 -0.025 0.000 2.350 419 W HA -0.185 4.476 4.660 0.002 0.000 0.289 419 W C 0.369 176.867 176.519 -0.034 0.000 1.215 419 W CA 1.835 59.161 57.345 -0.031 0.000 1.236 419 W CB 0.384 29.831 29.460 -0.022 0.000 1.130 419 W HN 0.724 nan 8.180 nan 0.000 0.541 420 E N 0.482 120.686 120.200 0.007 0.000 2.347 420 E HA -0.151 4.204 4.350 0.009 0.000 0.196 420 E C 1.458 177.970 176.600 -0.147 0.000 1.008 420 E CA 1.283 57.620 56.400 -0.105 0.000 0.852 420 E CB -0.474 29.230 29.700 0.008 0.000 0.783 420 E HN 0.197 nan 8.360 nan 0.000 0.505 421 D N -0.142 120.187 120.400 -0.118 0.000 2.277 421 D HA -0.015 4.631 4.640 0.009 0.000 0.208 421 D C 0.266 176.460 176.300 -0.177 0.000 0.962 421 D CA 0.318 54.252 54.000 -0.110 0.000 0.865 421 D CB 0.173 40.936 40.800 -0.062 0.000 0.939 421 D HN 0.201 nan 8.370 nan 0.000 0.510 422 L N 3.413 124.464 121.223 -0.286 0.000 2.360 422 L HA 0.187 4.532 4.340 0.009 0.000 0.276 422 L C -1.826 174.812 176.870 -0.386 0.000 1.121 422 L CA -1.597 53.013 54.840 -0.383 0.000 0.845 422 L CB 0.500 42.244 42.059 -0.524 0.000 1.143 422 L HN -0.163 nan 8.230 nan 0.000 0.452 423 P HA 0.083 nan 4.420 nan 0.000 0.271 423 P C -2.288 174.884 177.300 -0.215 0.000 1.244 423 P CA -1.253 61.734 63.100 -0.188 0.000 0.793 423 P CB 0.081 31.746 31.700 -0.059 0.000 0.984 424 P HA -0.206 nan 4.420 nan 0.000 0.215 424 P C 1.576 178.864 177.300 -0.020 0.000 1.163 424 P CA 1.928 64.983 63.100 -0.076 0.000 0.894 424 P CB -0.170 31.519 31.700 -0.018 0.000 0.791 425 Q N -0.980 118.866 119.800 0.076 0.000 2.224 425 Q HA -0.033 4.312 4.340 0.009 0.000 0.203 425 Q C 2.120 178.261 176.000 0.235 0.000 0.970 425 Q CA 1.662 57.591 55.803 0.209 0.000 0.865 425 Q CB -1.214 27.715 28.738 0.319 0.000 0.922 425 Q HN 0.218 nan 8.270 nan 0.000 0.445 426 A N 0.456 123.194 122.820 -0.136 0.000 1.855 426 A HA -0.186 4.139 4.320 0.009 0.000 0.213 426 A C 2.002 179.408 177.584 -0.298 0.000 1.195 426 A CA 1.117 52.726 52.037 -0.714 0.000 0.610 426 A CB -0.416 17.796 19.000 -1.313 0.000 0.837 426 A HN 0.326 nan 8.150 nan 0.000 0.444 427 Q N -0.547 119.036 119.800 -0.362 0.000 2.135 427 Q HA -0.168 4.177 4.340 0.009 0.000 0.204 427 Q C 2.387 178.456 176.000 0.115 0.000 0.981 427 Q CA 1.688 57.279 55.803 -0.354 0.000 0.856 427 Q CB -0.251 28.078 28.738 -0.682 0.000 0.902 427 Q HN 0.635 nan 8.270 nan 0.000 0.425 428 S N -0.553 115.211 115.700 0.105 0.000 2.402 428 S HA -0.171 4.304 4.470 0.009 0.000 0.229 428 S C 1.668 176.437 174.600 0.283 0.000 1.021 428 S CA 0.829 59.149 58.200 0.201 0.000 0.974 428 S CB -0.200 63.100 63.200 0.167 0.000 0.800 428 S HN 0.493 nan 8.310 nan 0.000 0.484 429 Y N 1.576 121.968 120.300 0.154 0.000 2.263 429 Y HA -0.017 4.537 4.550 0.008 0.000 0.292 429 Y C 2.141 178.186 175.900 0.242 0.000 1.130 429 Y CA 1.332 59.555 58.100 0.206 0.000 1.179 429 Y CB -0.326 38.292 38.460 0.263 0.000 0.998 429 Y HN 0.099 nan 8.280 nan 0.000 0.532 430 V N 0.766 120.875 119.914 0.326 0.000 2.343 430 V HA -0.305 3.821 4.120 0.009 0.000 0.247 430 V C 2.353 178.573 176.094 0.209 0.000 1.051 430 V CA 2.177 64.646 62.300 0.281 0.000 1.036 430 V CB -0.536 31.544 31.823 0.429 0.000 0.654 430 V HN 0.348 nan 8.190 nan 0.000 0.451 431 R N -1.158 119.497 120.500 0.258 0.000 2.075 431 R HA -0.142 4.204 4.340 0.009 0.000 0.232 431 R C 2.259 178.655 176.300 0.161 0.000 1.126 431 R CA 1.719 57.929 56.100 0.183 0.000 0.963 431 R CB -0.565 29.862 30.300 0.212 0.000 0.858 431 R HN 0.484 nan 8.270 nan 0.000 0.435 432 F N 1.483 121.455 119.950 0.037 0.000 2.065 432 F HA -0.280 4.252 4.527 0.008 0.000 0.298 432 F C 2.231 178.042 175.800 0.018 0.000 1.112 432 F CA 1.546 59.560 58.000 0.025 0.000 1.212 432 F CB -0.355 38.568 39.000 -0.128 0.000 0.975 432 F HN -0.278 nan 8.300 nan 0.000 0.476 433 V N 0.307 120.259 119.914 0.063 0.000 2.255 433 V HA -0.319 3.806 4.120 0.009 0.000 0.247 433 V C 2.302 178.382 176.094 -0.023 0.000 1.051 433 V CA 2.307 64.603 62.300 -0.008 0.000 1.018 433 V CB -0.808 31.010 31.823 -0.008 0.000 0.641 433 V HN 0.349 nan 8.190 nan 0.000 0.445 434 E N 0.393 120.587 120.200 -0.011 0.000 2.033 434 E HA -0.261 4.094 4.350 0.009 0.000 0.199 434 E C 2.175 178.731 176.600 -0.074 0.000 1.011 434 E CA 1.707 58.082 56.400 -0.043 0.000 0.815 434 E CB -0.305 29.370 29.700 -0.042 0.000 0.755 434 E HN 0.607 nan 8.360 nan 0.000 0.451 435 N N 0.385 119.037 118.700 -0.079 0.000 2.043 435 N HA -0.154 4.591 4.740 0.009 0.000 0.193 435 N C 1.754 177.125 175.510 -0.232 0.000 1.037 435 N CA 1.346 54.306 53.050 -0.150 0.000 0.851 435 N CB -0.697 37.694 38.487 -0.160 0.000 1.027 435 N HN 0.296 nan 8.380 nan 0.000 0.422 436 H N -0.390 118.498 119.070 -0.304 0.000 2.491 436 H HA 0.182 4.743 4.556 0.008 0.000 0.290 436 H C 1.808 177.041 175.328 -0.157 0.000 1.050 436 H CA 0.804 56.682 56.048 -0.283 0.000 1.309 436 H CB 0.086 29.585 29.762 -0.438 0.000 1.392 436 H HN 0.162 nan 8.280 nan 0.000 0.554 437 M N -1.587 117.992 119.600 -0.035 0.000 2.516 437 M HA 0.137 4.622 4.480 0.009 0.000 0.259 437 M C 1.122 177.379 176.300 -0.073 0.000 1.146 437 M CA 0.792 56.070 55.300 -0.036 0.000 1.122 437 M CB 0.892 33.462 32.600 -0.051 0.000 1.341 437 M HN 0.491 nan 8.290 nan 0.000 0.478 438 G N 1.005 109.750 108.800 -0.092 0.000 2.143 438 G HA2 -0.197 3.769 3.960 0.009 0.000 0.249 438 G HA3 -0.197 3.769 3.960 0.009 0.000 0.249 438 G C -0.167 174.664 174.900 -0.115 0.000 0.981 438 G CA 0.192 45.242 45.100 -0.082 0.000 0.665 438 G HN 0.365 nan 8.290 nan 0.000 0.528 439 V N 0.357 120.174 119.914 -0.162 0.000 2.540 439 V HA 0.836 4.962 4.120 0.009 0.000 0.302 439 V C 0.722 176.764 176.094 -0.087 0.000 1.035 439 V CA -0.638 61.569 62.300 -0.154 0.000 0.873 439 V CB 1.627 33.303 31.823 -0.245 0.000 0.992 439 V HN 1.145 nan 8.190 nan 0.000 0.428 440 A N 3.864 126.649 122.820 -0.058 0.000 2.407 440 A HA 0.581 4.906 4.320 0.009 0.000 0.248 440 A C -0.128 177.479 177.584 0.037 0.000 1.082 440 A CA -0.176 51.833 52.037 -0.047 0.000 0.785 440 A CB 0.487 19.406 19.000 -0.134 0.000 1.020 440 A HN 0.740 nan 8.150 nan 0.000 0.489 441 V N 2.970 122.899 119.914 0.024 0.000 2.406 441 V HA 0.178 4.303 4.120 0.009 0.000 0.272 441 V C 1.224 177.319 176.094 0.002 0.000 1.043 441 V CA 0.042 62.348 62.300 0.010 0.000 0.915 441 V CB 1.053 32.878 31.823 0.003 0.000 0.988 441 V HN 1.119 nan 8.190 nan 0.000 0.466 442 K N 4.029 124.283 120.400 -0.243 0.000 2.308 442 K HA 0.132 4.457 4.320 0.009 0.000 0.197 442 K C -0.175 175.810 176.600 -1.025 0.000 1.049 442 K CA 0.333 56.054 56.287 -0.944 0.000 0.991 442 K CB 0.545 32.060 32.500 -1.641 0.000 0.836 442 K HN 0.592 nan 8.250 nan 0.000 0.500 443 W N 0.848 122.007 121.300 -0.236 0.000 3.022 443 W HA 0.394 5.057 4.660 0.005 0.000 0.335 443 W C -1.304 175.166 176.519 -0.081 0.000 1.133 443 W CA -0.896 56.344 57.345 -0.175 0.000 1.219 443 W CB 1.684 31.009 29.460 -0.224 0.000 1.409 443 W HN -0.449 nan 8.180 nan 0.000 0.507 444 V N 2.064 122.090 119.914 0.188 0.000 2.407 444 V HA 0.571 4.696 4.120 0.009 0.000 0.291 444 V C 0.403 176.561 176.094 0.106 0.000 1.018 444 V CA -0.663 61.720 62.300 0.138 0.000 0.842 444 V CB 1.379 33.288 31.823 0.143 0.000 0.996 444 V HN 0.616 nan 8.190 nan 0.000 0.426 445 G N 2.424 111.270 108.800 0.077 0.000 2.332 445 G HA2 0.517 4.482 3.960 0.009 0.000 0.310 445 G HA3 0.517 4.482 3.960 0.009 0.000 0.310 445 G C 0.285 175.210 174.900 0.042 0.000 1.123 445 G CA -0.059 45.065 45.100 0.041 0.000 0.873 445 G HN 1.107 nan 8.290 nan 0.000 0.460 446 V N 0.063 119.994 119.914 0.028 0.000 3.166 446 V HA 0.753 4.878 4.120 0.009 0.000 0.332 446 V C 0.528 176.633 176.094 0.018 0.000 1.434 446 V CA 0.217 62.535 62.300 0.030 0.000 1.121 446 V CB -0.005 31.828 31.823 0.018 0.000 1.062 446 V HN 1.256 nan 8.190 nan 0.000 0.489 447 G N -0.175 108.628 108.800 0.005 0.000 2.489 447 G HA2 0.350 4.315 3.960 0.009 0.000 0.291 447 G HA3 0.350 4.315 3.960 0.009 0.000 0.291 447 G C -0.382 174.506 174.900 -0.019 0.000 1.487 447 G CA -0.233 44.862 45.100 -0.008 0.000 0.795 447 G HN -0.003 nan 8.290 nan 0.000 0.513 448 K N -0.075 120.310 120.400 -0.025 0.000 2.057 448 K HA 0.009 4.334 4.320 0.009 0.000 0.207 448 K C 1.952 178.541 176.600 -0.019 0.000 1.049 448 K CA 1.441 57.713 56.287 -0.025 0.000 0.931 448 K CB -0.208 32.279 32.500 -0.022 0.000 0.714 448 K HN 0.659 nan 8.250 nan 0.000 0.440 449 S N 0.934 116.627 115.700 -0.012 0.000 2.573 449 S HA -0.015 4.460 4.470 0.009 0.000 0.277 449 S C 1.004 175.596 174.600 -0.014 0.000 1.346 449 S CA -0.443 57.753 58.200 -0.006 0.000 1.034 449 S CB 1.382 64.581 63.200 -0.001 0.000 0.879 449 S HN 0.281 nan 8.310 nan 0.000 0.528 450 R N 1.332 121.826 120.500 -0.009 0.000 2.127 450 R HA -0.132 4.213 4.340 0.009 0.000 0.238 450 R C 1.616 177.901 176.300 -0.024 0.000 1.134 450 R CA 1.777 57.862 56.100 -0.025 0.000 0.975 450 R CB -0.296 29.997 30.300 -0.012 0.000 0.865 450 R HN 0.901 nan 8.270 nan 0.000 0.447 451 E N -0.065 120.131 120.200 -0.008 0.000 2.358 451 E HA -0.025 4.330 4.350 0.009 0.000 0.195 451 E C 0.615 177.216 176.600 0.002 0.000 1.010 451 E CA 0.361 56.761 56.400 -0.000 0.000 0.856 451 E CB 0.050 29.753 29.700 0.006 0.000 0.795 451 E HN 0.072 nan 8.360 nan 0.000 0.504 452 S N 1.163 116.862 115.700 -0.003 0.000 3.227 452 S HA 0.150 4.625 4.470 0.009 0.000 0.249 452 S C 0.265 174.869 174.600 0.006 0.000 1.322 452 S CA 0.201 58.402 58.200 0.002 0.000 1.253 452 S CB -0.356 62.842 63.200 -0.002 0.000 1.076 452 S HN 0.158 nan 8.310 nan 0.000 0.471 453 M N 1.090 120.700 119.600 0.016 0.000 2.690 453 M HA 0.593 5.078 4.480 0.009 0.000 0.302 453 M C -1.351 174.997 176.300 0.080 0.000 1.234 453 M CA -0.848 54.478 55.300 0.044 0.000 0.853 453 M CB 1.824 34.436 32.600 0.020 0.000 1.748 453 M HN 0.001 nan 8.290 nan 0.000 0.469 454 I N 0.771 121.418 120.570 0.129 0.000 2.500 454 I HA 0.291 4.466 4.170 0.009 0.000 0.286 454 I C -0.363 175.835 176.117 0.136 0.000 1.063 454 I CA -0.311 61.064 61.300 0.124 0.000 1.062 454 I CB 1.903 39.975 38.000 0.120 0.000 1.223 454 I HN 0.565 nan 8.210 nan 0.000 0.435 455 Q N 5.534 125.383 119.800 0.082 0.000 2.274 455 Q HA 0.488 4.833 4.340 0.009 0.000 0.256 455 Q C -0.149 175.744 176.000 -0.178 0.000 0.927 455 Q CA -0.367 55.357 55.803 -0.131 0.000 0.939 455 Q CB 1.171 29.854 28.738 -0.092 0.000 1.201 455 Q HN 0.772 nan 8.270 nan 0.000 0.426 456 L N 4.928 125.963 121.223 -0.313 0.000 2.567 456 L HA 0.295 4.640 4.340 0.009 0.000 0.225 456 L C -0.106 176.729 176.870 -0.059 0.000 1.119 456 L CA 0.024 54.752 54.840 -0.186 0.000 0.871 456 L CB -0.340 41.588 42.059 -0.217 0.000 1.036 456 L HN 0.660 nan 8.230 nan 0.000 0.459 457 F N 0.000 119.756 119.950 -0.323 0.000 2.286 457 F HA 0.000 4.531 4.527 0.007 0.000 0.279 457 F CA 0.000 57.844 58.000 -0.259 0.000 1.383 457 F CB 0.000 38.846 39.000 -0.256 0.000 1.145 457 F HN 0.000 nan 8.300 nan 0.000 0.574