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 2h4l_1_X DATA FIRST_RESID 9 DATA SEQUENCE LPASIFRAYD IRGVVGDTLT AETAYWIGRA IGSESLARGE PCVAVGRDGR DATA SEQUENCE LSGPELVKQL IQGLVDCGCQ VSDVGMVPTP VLYYAANVLE GKSGVMLTGX DATA SEQUENCE HNPPDYNGFK IVVAGETLAN EQIQALRERI EKNDLASGVG SVEQVDILPR DATA SEQUENCE YFKQIRDDIA MAKPMKVVVD CGNGVAGVIA PQLIEALGCS VIPLYCEVDG DATA SEQUENCE NFPNHHPDPG KPENLKDLIA KVKAENADLG LAFDGDGDRV GVVTNTGTII DATA SEQUENCE YPDRLLMLFA KDVVSRNPGA DIIFDVKCTR RLIALISGYG GRPVMWKTGH DATA SEQUENCE SLIKKKMKET GALLAGEMSG HVFFKERWFG FDDGIYSAAR LLEILSQDQR DATA SEQUENCE DSEHVFSAFP SDISTPEINI TVTEDSKFAI IEALQRDAQW GEGNITTLDG DATA SEQUENCE VRVDYPKGWG LVRASNTTPV LVLRFEADTE EELERIKTVF RNQLKAVDSS DATA SEQUENCE LPVPF 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 9 L HA 0.000 nan 4.340 nan 0.000 0.249 9 L C 0.000 176.953 176.870 0.138 0.000 1.165 9 L CA 0.000 54.926 54.840 0.144 0.000 0.813 9 L CB 0.000 42.215 42.059 0.259 0.000 0.961 10 P HA 0.187 nan 4.420 nan 0.000 0.268 10 P C 0.417 177.841 177.300 0.206 0.000 1.205 10 P CA -0.316 62.861 63.100 0.129 0.000 0.771 10 P CB 1.569 33.330 31.700 0.102 0.000 0.858 11 A N 2.359 125.268 122.820 0.149 0.000 2.167 11 A HA -0.063 4.256 4.320 -0.001 0.000 0.214 11 A C 2.069 179.791 177.584 0.230 0.000 1.151 11 A CA 1.119 53.259 52.037 0.172 0.000 0.735 11 A CB -0.811 18.223 19.000 0.055 0.000 0.802 11 A HN 0.650 nan 8.150 nan 0.000 0.467 12 S N 0.708 116.511 115.700 0.173 0.000 2.436 12 S HA -0.109 4.360 4.470 -0.001 0.000 0.228 12 S C 1.815 176.497 174.600 0.138 0.000 1.014 12 S CA 0.884 59.166 58.200 0.137 0.000 0.950 12 S CB -0.910 62.345 63.200 0.090 0.000 0.784 12 S HN 0.828 nan 8.310 nan 0.000 0.504 13 I N -2.352 118.301 120.570 0.139 0.000 2.756 13 I HA 0.217 4.386 4.170 -0.001 0.000 0.262 13 I C -0.139 175.938 176.117 -0.068 0.000 1.225 13 I CA 0.433 61.747 61.300 0.022 0.000 1.472 13 I CB -0.580 37.389 38.000 -0.052 0.000 1.094 13 I HN 0.030 nan 8.210 nan 0.000 0.454 14 F N 3.098 123.088 119.950 0.067 0.000 2.462 14 F HA 0.543 5.070 4.527 -0.001 0.000 0.354 14 F C 1.117 176.945 175.800 0.047 0.000 1.192 14 F CA -0.170 57.864 58.000 0.057 0.000 1.173 14 F CB -0.027 38.992 39.000 0.032 0.000 1.402 14 F HN 0.093 nan 8.300 nan 0.000 0.595 15 R N 1.153 121.732 120.500 0.133 0.000 2.691 15 R HA 0.813 5.152 4.340 -0.001 0.000 0.259 15 R C 1.161 177.469 176.300 0.013 0.000 1.048 15 R CA -0.065 56.073 56.100 0.063 0.000 1.086 15 R CB 0.000 30.321 30.300 0.034 0.000 1.166 15 R HN 0.624 nan 8.270 nan 0.000 0.526 16 A N -0.180 122.562 122.820 -0.130 0.000 1.917 16 A HA -0.092 4.227 4.320 -0.001 0.000 0.219 16 A C 1.887 179.424 177.584 -0.078 0.000 1.182 16 A CA 2.095 54.019 52.037 -0.189 0.000 0.633 16 A CB -0.615 18.154 19.000 -0.385 0.000 0.819 16 A HN 0.897 nan 8.150 nan 0.000 0.448 17 Y N -0.105 120.233 120.300 0.064 0.000 2.476 17 Y HA 0.306 4.855 4.550 -0.001 0.000 0.283 17 Y C 0.416 176.361 175.900 0.075 0.000 1.109 17 Y CA -0.353 57.744 58.100 -0.005 0.000 1.246 17 Y CB -0.109 38.339 38.460 -0.021 0.000 1.068 17 Y HN 0.618 nan 8.280 nan 0.000 0.552 18 D N -1.833 118.726 120.400 0.264 0.000 2.879 18 D HA 0.254 4.894 4.640 -0.001 0.000 0.346 18 D C -1.371 175.029 176.300 0.166 0.000 1.390 18 D CA -0.697 53.459 54.000 0.259 0.000 0.838 18 D CB 0.519 41.550 40.800 0.385 0.000 1.416 18 D HN -0.134 nan 8.370 nan 0.000 0.493 19 I N -0.347 120.316 120.570 0.154 0.000 2.336 19 I HA 0.487 4.656 4.170 -0.001 0.000 0.292 19 I C -0.249 175.951 176.117 0.137 0.000 0.991 19 I CA -0.590 60.738 61.300 0.046 0.000 1.227 19 I CB 1.176 39.126 38.000 -0.083 0.000 1.366 19 I HN 0.114 nan 8.210 nan 0.000 0.466 20 R N 4.148 124.693 120.500 0.076 0.000 2.473 20 R HA 0.610 4.949 4.340 -0.001 0.000 0.303 20 R C -0.357 175.981 176.300 0.062 0.000 1.002 20 R CA -0.463 55.698 56.100 0.101 0.000 0.884 20 R CB 2.099 32.484 30.300 0.142 0.000 1.173 20 R HN 0.824 nan 8.270 nan 0.000 0.464 21 G N 0.856 109.678 108.800 0.037 0.000 2.788 21 G HA2 0.571 4.531 3.960 -0.001 0.000 0.293 21 G HA3 0.571 4.531 3.960 -0.001 0.000 0.293 21 G C -1.259 173.545 174.900 -0.159 0.000 1.305 21 G CA -0.455 44.628 45.100 -0.028 0.000 1.005 21 G HN 0.267 nan 8.290 nan 0.000 0.496 22 V N 0.782 120.561 119.914 -0.225 0.000 2.378 22 V HA 0.284 4.403 4.120 -0.001 0.000 0.288 22 V C 0.160 176.160 176.094 -0.156 0.000 1.016 22 V CA -0.652 61.440 62.300 -0.347 0.000 0.840 22 V CB 1.325 32.870 31.823 -0.464 0.000 0.994 22 V HN 0.540 nan 8.190 nan 0.000 0.431 23 V N 5.515 125.364 119.914 -0.108 0.000 2.540 23 V HA 0.456 4.576 4.120 -0.001 0.000 0.297 23 V C 1.497 177.568 176.094 -0.038 0.000 1.024 23 V CA 1.658 63.930 62.300 -0.046 0.000 1.105 23 V CB 0.071 31.876 31.823 -0.029 0.000 0.938 23 V HN 1.251 nan 8.190 nan 0.000 0.482 24 G N 3.745 112.536 108.800 -0.015 0.000 2.490 24 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.214 24 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.214 24 G C 0.605 175.500 174.900 -0.009 0.000 1.151 24 G CA 0.614 45.709 45.100 -0.009 0.000 0.684 24 G HN 0.724 nan 8.290 nan 0.000 0.518 25 D N 0.409 120.792 120.400 -0.029 0.000 2.041 25 D HA 0.116 4.755 4.640 -0.001 0.000 0.263 25 D C 2.708 179.002 176.300 -0.011 0.000 1.038 25 D CA 2.919 56.903 54.000 -0.027 0.000 0.903 25 D CB -0.498 40.268 40.800 -0.057 0.000 1.013 25 D HN 0.577 nan 8.370 nan 0.000 0.408 26 T N -1.313 113.225 114.554 -0.026 0.000 3.148 26 T HA 0.182 4.531 4.350 -0.001 0.000 0.253 26 T C 0.407 175.126 174.700 0.032 0.000 1.134 26 T CA -0.245 61.858 62.100 0.005 0.000 1.051 26 T CB 0.028 68.894 68.868 -0.004 0.000 0.959 26 T HN 0.112 nan 8.240 nan 0.000 0.525 27 L N 1.991 123.229 121.223 0.025 0.000 2.470 27 L HA 0.683 5.022 4.340 -0.001 0.000 0.268 27 L C -0.502 176.406 176.870 0.063 0.000 0.964 27 L CA -0.352 54.527 54.840 0.064 0.000 0.839 27 L CB 2.062 44.156 42.059 0.059 0.000 1.276 27 L HN 0.341 nan 8.230 nan 0.000 0.403 28 T N 1.177 115.790 114.554 0.099 0.000 2.888 28 T HA 0.773 5.122 4.350 -0.001 0.000 0.288 28 T C 0.985 175.751 174.700 0.110 0.000 1.063 28 T CA -0.157 61.995 62.100 0.087 0.000 1.010 28 T CB 1.355 70.275 68.868 0.087 0.000 1.214 28 T HN 0.768 nan 8.240 nan 0.000 0.533 29 A N 0.216 123.085 122.820 0.083 0.000 1.883 29 A HA -0.093 4.227 4.320 -0.001 0.000 0.217 29 A C 2.206 179.856 177.584 0.110 0.000 1.186 29 A CA 2.257 54.343 52.037 0.083 0.000 0.624 29 A CB -1.381 17.644 19.000 0.043 0.000 0.822 29 A HN 1.045 nan 8.150 nan 0.000 0.444 30 E N -0.586 119.679 120.200 0.108 0.000 2.097 30 E HA -0.234 4.115 4.350 -0.001 0.000 0.196 30 E C 2.103 178.871 176.600 0.280 0.000 1.000 30 E CA 2.182 58.668 56.400 0.144 0.000 0.804 30 E CB -0.266 29.545 29.700 0.185 0.000 0.740 30 E HN 0.732 nan 8.360 nan 0.000 0.454 31 T N -1.516 113.215 114.554 0.296 0.000 2.867 31 T HA -0.001 4.348 4.350 -0.001 0.000 0.268 31 T C 1.892 176.745 174.700 0.256 0.000 1.057 31 T CA 1.243 63.545 62.100 0.337 0.000 1.136 31 T CB -0.273 68.747 68.868 0.253 0.000 0.874 31 T HN 0.233 nan 8.240 nan 0.000 0.466 32 A N 0.004 122.971 122.820 0.245 0.000 1.972 32 A HA 0.040 4.359 4.320 -0.001 0.000 0.219 32 A C 2.124 179.784 177.584 0.128 0.000 1.169 32 A CA 1.485 53.687 52.037 0.275 0.000 0.635 32 A CB -1.195 18.023 19.000 0.363 0.000 0.810 32 A HN 0.728 nan 8.150 nan 0.000 0.446 33 Y N -1.062 119.216 120.300 -0.037 0.000 2.114 33 Y HA -0.243 4.306 4.550 -0.001 0.000 0.284 33 Y C 2.089 177.856 175.900 -0.222 0.000 1.143 33 Y CA 1.935 59.908 58.100 -0.210 0.000 1.135 33 Y CB -0.498 37.706 38.460 -0.426 0.000 0.980 33 Y HN 0.435 nan 8.280 nan 0.000 0.499 34 W N 0.263 121.602 121.300 0.066 0.000 2.402 34 W HA -0.128 4.532 4.660 -0.001 0.000 0.286 34 W C 2.284 178.739 176.519 -0.107 0.000 1.221 34 W CA 0.981 58.313 57.345 -0.021 0.000 1.257 34 W CB -0.258 29.267 29.460 0.108 0.000 1.120 34 W HN 0.049 nan 8.180 nan 0.000 0.551 35 I N 0.177 120.785 120.570 0.063 0.000 2.286 35 I HA -0.198 3.971 4.170 -0.001 0.000 0.248 35 I C 2.698 178.702 176.117 -0.189 0.000 1.115 35 I CA 1.515 62.728 61.300 -0.144 0.000 1.392 35 I CB -1.135 36.527 38.000 -0.563 0.000 1.065 35 I HN 0.078 nan 8.210 nan 0.000 0.418 36 G N 0.687 109.363 108.800 -0.207 0.000 2.440 36 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.218 36 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.218 36 G C 1.806 176.574 174.900 -0.219 0.000 1.154 36 G CA 0.342 45.322 45.100 -0.199 0.000 0.767 36 G HN 0.150 nan 8.290 nan 0.000 0.552 37 R N 0.723 121.039 120.500 -0.306 0.000 2.081 37 R HA 0.021 4.360 4.340 -0.001 0.000 0.235 37 R C 2.956 179.229 176.300 -0.044 0.000 1.131 37 R CA 1.356 57.339 56.100 -0.195 0.000 0.960 37 R CB -1.098 29.128 30.300 -0.122 0.000 0.856 37 R HN 0.355 nan 8.270 nan 0.000 0.436 38 A N 0.706 123.525 122.820 -0.001 0.000 1.930 38 A HA -0.086 4.233 4.320 -0.001 0.000 0.217 38 A C 2.308 179.892 177.584 -0.001 0.000 1.175 38 A CA 1.106 53.154 52.037 0.019 0.000 0.627 38 A CB -0.415 18.613 19.000 0.047 0.000 0.815 38 A HN 0.214 nan 8.150 nan 0.000 0.443 39 I N -0.402 120.153 120.570 -0.024 0.000 2.353 39 I HA -0.137 4.032 4.170 -0.001 0.000 0.248 39 I C 2.659 178.768 176.117 -0.014 0.000 1.119 39 I CA 0.971 62.263 61.300 -0.015 0.000 1.417 39 I CB -0.499 37.488 38.000 -0.022 0.000 1.078 39 I HN 0.379 nan 8.210 nan 0.000 0.421 40 G N 0.120 108.901 108.800 -0.031 0.000 2.418 40 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.217 40 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.217 40 G C 1.755 176.648 174.900 -0.013 0.000 1.158 40 G CA 0.950 46.035 45.100 -0.026 0.000 0.771 40 G HN 0.365 nan 8.290 nan 0.000 0.545 41 S N 0.521 116.215 115.700 -0.009 0.000 2.368 41 S HA -0.087 4.382 4.470 -0.001 0.000 0.225 41 S C 2.156 176.757 174.600 0.002 0.000 1.030 41 S CA 1.502 59.703 58.200 0.001 0.000 0.999 41 S CB -0.170 63.035 63.200 0.009 0.000 0.844 41 S HN 0.457 nan 8.310 nan 0.000 0.459 42 E N 1.627 121.829 120.200 0.003 0.000 2.072 42 E HA -0.063 4.286 4.350 -0.001 0.000 0.191 42 E C 2.192 178.796 176.600 0.005 0.000 0.985 42 E CA 1.205 57.609 56.400 0.006 0.000 0.801 42 E CB -0.567 29.141 29.700 0.013 0.000 0.750 42 E HN 0.295 nan 8.360 nan 0.000 0.452 43 S N -0.706 114.997 115.700 0.004 0.000 2.359 43 S HA -0.114 4.355 4.470 -0.001 0.000 0.224 43 S C 1.877 176.477 174.600 0.000 0.000 1.035 43 S CA 1.310 59.511 58.200 0.003 0.000 1.018 43 S CB -0.325 62.875 63.200 0.001 0.000 0.876 43 S HN 0.321 nan 8.310 nan 0.000 0.448 44 L N 0.896 122.118 121.223 -0.001 0.000 2.093 44 L HA -0.048 4.291 4.340 -0.001 0.000 0.208 44 L C 2.807 179.677 176.870 0.000 0.000 1.085 44 L CA 1.124 55.964 54.840 -0.001 0.000 0.755 44 L CB -0.604 41.454 42.059 -0.001 0.000 0.904 44 L HN 0.370 nan 8.230 nan 0.000 0.435 45 A N 0.085 122.906 122.820 0.001 0.000 2.019 45 A HA -0.161 4.158 4.320 -0.001 0.000 0.219 45 A C 2.170 179.754 177.584 0.000 0.000 1.164 45 A CA 1.290 53.327 52.037 0.000 0.000 0.644 45 A CB -0.382 18.618 19.000 0.001 0.000 0.805 45 A HN 0.389 nan 8.150 nan 0.000 0.449 46 R N -1.464 119.037 120.500 0.001 0.000 2.359 46 R HA 0.256 4.595 4.340 -0.001 0.000 0.231 46 R C 1.042 177.342 176.300 -0.001 0.000 0.913 46 R CA 0.475 56.575 56.100 0.000 0.000 1.075 46 R CB 0.038 30.340 30.300 0.002 0.000 1.087 46 R HN 0.640 nan 8.270 nan 0.000 0.515 47 G N 1.915 110.714 108.800 -0.001 0.000 2.136 47 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.242 47 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.242 47 G C -0.243 174.655 174.900 -0.003 0.000 0.989 47 G CA 0.109 45.208 45.100 -0.002 0.000 0.682 47 G HN 0.311 nan 8.290 nan 0.000 0.522 48 E N 0.569 120.767 120.200 -0.003 0.000 2.121 48 E HA 0.584 4.934 4.350 -0.001 0.000 0.255 48 E C -1.324 175.273 176.600 -0.005 0.000 0.906 48 E CA -2.545 53.852 56.400 -0.005 0.000 0.745 48 E CB 1.387 31.084 29.700 -0.004 0.000 1.155 48 E HN 0.145 nan 8.360 nan 0.000 0.424 49 P HA 0.100 nan 4.420 nan 0.000 0.245 49 P C -0.305 176.989 177.300 -0.009 0.000 1.206 49 P CA -0.000 63.096 63.100 -0.007 0.000 0.781 49 P CB 0.278 31.974 31.700 -0.006 0.000 0.994 50 C N 0.894 120.187 119.300 -0.011 0.000 2.273 50 C HA 0.547 5.006 4.460 -0.001 0.000 0.328 50 C C 0.181 175.162 174.990 -0.014 0.000 1.275 50 C CA -0.537 58.473 59.018 -0.014 0.000 1.704 50 C CB 0.635 28.364 27.740 -0.018 0.000 2.326 50 C HN -0.016 nan 8.230 nan 0.000 0.517 51 V N 3.128 123.034 119.914 -0.013 0.000 2.588 51 V HA 0.748 4.867 4.120 -0.001 0.000 0.304 51 V C 0.322 176.409 176.094 -0.012 0.000 1.042 51 V CA -0.422 61.873 62.300 -0.009 0.000 0.877 51 V CB 1.564 33.386 31.823 -0.002 0.000 0.996 51 V HN 1.012 nan 8.190 nan 0.000 0.425 52 A N 4.043 126.853 122.820 -0.015 0.000 2.316 52 A HA 0.854 5.173 4.320 -0.001 0.000 0.284 52 A C -0.570 177.009 177.584 -0.009 0.000 1.115 52 A CA -0.452 51.572 52.037 -0.022 0.000 0.812 52 A CB 1.144 20.119 19.000 -0.041 0.000 1.064 52 A HN 0.823 nan 8.150 nan 0.000 0.489 53 V N 1.462 121.368 119.914 -0.012 0.000 2.569 53 V HA 0.703 4.822 4.120 -0.001 0.000 0.301 53 V C 0.502 176.582 176.094 -0.023 0.000 1.044 53 V CA 0.094 62.392 62.300 -0.003 0.000 0.874 53 V CB 1.700 33.529 31.823 0.010 0.000 1.002 53 V HN 1.314 nan 8.190 nan 0.000 0.424 54 G N 3.950 112.728 108.800 -0.036 0.000 2.605 54 G HA2 0.885 4.844 3.960 -0.001 0.000 0.296 54 G HA3 0.885 4.844 3.960 -0.001 0.000 0.296 54 G C -1.119 173.742 174.900 -0.064 0.000 1.304 54 G CA -0.952 44.111 45.100 -0.062 0.000 0.941 54 G HN 0.853 nan 8.290 nan 0.000 0.475 55 R N -0.341 120.116 120.500 -0.071 0.000 2.740 55 R HA 0.624 4.963 4.340 -0.001 0.000 0.273 55 R C -1.154 175.102 176.300 -0.073 0.000 0.998 55 R CA -0.863 55.192 56.100 -0.074 0.000 0.900 55 R CB 1.779 32.042 30.300 -0.062 0.000 1.223 55 R HN 0.555 nan 8.270 nan 0.000 0.466 56 D N 0.821 121.181 120.400 -0.066 0.000 2.469 56 D HA 0.183 4.822 4.640 -0.001 0.000 0.278 56 D C 0.672 176.952 176.300 -0.032 0.000 1.231 56 D CA -0.523 53.451 54.000 -0.043 0.000 1.075 56 D CB 0.167 40.957 40.800 -0.018 0.000 1.121 56 D HN 0.687 nan 8.370 nan 0.000 0.571 57 G N -0.962 107.833 108.800 -0.009 0.000 3.496 57 G HA2 0.104 4.063 3.960 -0.001 0.000 0.273 57 G HA3 0.104 4.063 3.960 -0.001 0.000 0.273 57 G C 0.356 175.214 174.900 -0.069 0.000 1.279 57 G CA -0.458 44.623 45.100 -0.031 0.000 1.041 57 G HN 0.191 nan 8.290 nan 0.000 0.539 58 R N -0.606 119.864 120.500 -0.050 0.000 2.615 58 R HA 0.350 4.690 4.340 -0.001 0.000 0.270 58 R C 1.361 177.604 176.300 -0.094 0.000 1.081 58 R CA -0.540 55.511 56.100 -0.081 0.000 1.154 58 R CB 0.900 31.190 30.300 -0.016 0.000 1.063 58 R HN 0.121 nan 8.270 nan 0.000 0.519 59 L N 0.625 121.782 121.223 -0.110 0.000 2.083 59 L HA -0.176 4.163 4.340 -0.001 0.000 0.209 59 L C 1.988 178.823 176.870 -0.059 0.000 1.083 59 L CA 1.523 56.309 54.840 -0.089 0.000 0.752 59 L CB -0.292 41.712 42.059 -0.091 0.000 0.899 59 L HN 0.727 nan 8.230 nan 0.000 0.433 60 S N -0.763 114.907 115.700 -0.049 0.000 2.603 60 S HA 0.036 4.505 4.470 -0.001 0.000 0.220 60 S C 1.942 176.515 174.600 -0.045 0.000 0.967 60 S CA 0.273 58.450 58.200 -0.039 0.000 0.920 60 S CB -0.230 62.950 63.200 -0.033 0.000 0.773 60 S HN 0.402 nan 8.310 nan 0.000 0.529 61 G N 3.342 112.110 108.800 -0.053 0.000 2.514 61 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.217 61 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.217 61 G C -0.689 174.186 174.900 -0.041 0.000 1.198 61 G CA 0.993 46.059 45.100 -0.056 0.000 0.780 61 G HN 0.522 nan 8.290 nan 0.000 0.565 62 P HA -0.039 nan 4.420 nan 0.000 0.216 62 P C 1.586 178.876 177.300 -0.016 0.000 1.150 62 P CA 1.477 64.562 63.100 -0.026 0.000 0.837 62 P CB 0.039 31.722 31.700 -0.027 0.000 0.786 63 E N -0.163 120.027 120.200 -0.016 0.000 2.046 63 E HA -0.123 4.227 4.350 -0.001 0.000 0.190 63 E C 1.807 178.412 176.600 0.008 0.000 0.982 63 E CA 0.956 57.353 56.400 -0.005 0.000 0.800 63 E CB -0.471 29.225 29.700 -0.006 0.000 0.756 63 E HN 0.150 nan 8.360 nan 0.000 0.449 64 L N 0.378 121.604 121.223 0.005 0.000 2.270 64 L HA -0.028 4.311 4.340 -0.001 0.000 0.210 64 L C 2.503 179.403 176.870 0.049 0.000 1.104 64 L CA 0.092 54.952 54.840 0.032 0.000 0.804 64 L CB -0.026 42.036 42.059 0.005 0.000 0.937 64 L HN 0.110 nan 8.230 nan 0.000 0.450 65 V N 0.833 120.757 119.914 0.017 0.000 2.667 65 V HA -0.251 3.868 4.120 -0.001 0.000 0.252 65 V C 2.923 179.037 176.094 0.033 0.000 1.065 65 V CA 2.176 64.490 62.300 0.024 0.000 1.083 65 V CB -0.140 31.680 31.823 -0.005 0.000 0.692 65 V HN 0.506 nan 8.190 nan 0.000 0.468 66 K N -1.431 118.985 120.400 0.026 0.000 2.155 66 K HA -0.149 4.170 4.320 -0.001 0.000 0.203 66 K C 1.876 178.506 176.600 0.049 0.000 1.052 66 K CA 1.383 57.686 56.287 0.026 0.000 0.948 66 K CB -0.484 32.023 32.500 0.013 0.000 0.728 66 K HN 0.565 nan 8.250 nan 0.000 0.448 67 Q N -0.277 119.564 119.800 0.068 0.000 2.049 67 Q HA -0.030 4.310 4.340 -0.001 0.000 0.198 67 Q C 2.236 178.301 176.000 0.109 0.000 0.971 67 Q CA 1.313 57.186 55.803 0.116 0.000 0.833 67 Q CB -0.553 28.257 28.738 0.119 0.000 0.896 67 Q HN 0.482 nan 8.270 nan 0.000 0.434 68 L N 0.788 122.071 121.223 0.101 0.000 1.989 68 L HA -0.145 4.195 4.340 -0.001 0.000 0.211 68 L C 2.152 179.031 176.870 0.015 0.000 1.071 68 L CA 1.535 56.424 54.840 0.081 0.000 0.749 68 L CB -0.729 41.438 42.059 0.179 0.000 0.890 68 L HN 0.131 nan 8.230 nan 0.000 0.431 69 I N -0.785 119.802 120.570 0.029 0.000 2.163 69 I HA -0.351 3.818 4.170 -0.001 0.000 0.243 69 I C 2.592 178.709 176.117 -0.001 0.000 1.085 69 I CA 1.647 62.953 61.300 0.010 0.000 1.347 69 I CB -0.340 37.669 38.000 0.014 0.000 1.044 69 I HN 0.412 nan 8.210 nan 0.000 0.408 70 Q N 1.083 120.904 119.800 0.034 0.000 2.135 70 Q HA -0.149 4.190 4.340 -0.001 0.000 0.204 70 Q C 2.089 178.090 176.000 0.002 0.000 0.981 70 Q CA 2.115 57.966 55.803 0.080 0.000 0.856 70 Q CB -0.701 28.144 28.738 0.178 0.000 0.902 70 Q HN 0.513 nan 8.270 nan 0.000 0.425 71 G N 0.231 108.879 108.800 -0.254 0.000 2.446 71 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.217 71 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.217 71 G C 1.333 176.037 174.900 -0.326 0.000 1.168 71 G CA 1.039 45.711 45.100 -0.714 0.000 0.771 71 G HN 0.386 nan 8.290 nan 0.000 0.551 72 L N 0.171 121.290 121.223 -0.172 0.000 2.017 72 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 72 L C 3.024 179.857 176.870 -0.061 0.000 1.073 72 L CA 0.556 55.340 54.840 -0.093 0.000 0.745 72 L CB -0.647 41.381 42.059 -0.051 0.000 0.894 72 L HN 0.082 nan 8.230 nan 0.000 0.432 73 V N -0.342 119.546 119.914 -0.043 0.000 2.392 73 V HA -0.311 3.808 4.120 -0.001 0.000 0.249 73 V C 1.754 177.842 176.094 -0.010 0.000 1.059 73 V CA 1.886 64.176 62.300 -0.016 0.000 1.051 73 V CB -0.561 31.263 31.823 0.001 0.000 0.658 73 V HN 0.428 nan 8.190 nan 0.000 0.455 74 D N -1.304 119.084 120.400 -0.019 0.000 2.378 74 D HA -0.044 4.595 4.640 -0.001 0.000 0.227 74 D C 1.714 178.012 176.300 -0.003 0.000 1.012 74 D CA 0.653 54.658 54.000 0.008 0.000 0.905 74 D CB -0.160 40.672 40.800 0.053 0.000 0.895 74 D HN 0.488 nan 8.370 nan 0.000 0.532 75 C N -1.222 118.064 119.300 -0.023 0.000 2.634 75 C HA 0.409 4.868 4.460 -0.001 0.000 0.268 75 C C 1.870 176.859 174.990 -0.002 0.000 1.322 75 C CA 0.387 59.398 59.018 -0.011 0.000 1.737 75 C CB -0.249 27.477 27.740 -0.024 0.000 1.976 75 C HN 0.500 nan 8.230 nan 0.000 0.547 76 G N -0.529 108.269 108.800 -0.003 0.000 2.163 76 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.213 76 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.213 76 G C 0.057 174.954 174.900 -0.005 0.000 0.991 76 G CA -0.018 45.082 45.100 -0.001 0.000 0.653 76 G HN 0.460 nan 8.290 nan 0.000 0.518 77 C N 1.280 120.574 119.300 -0.010 0.000 2.652 77 C HA 0.496 4.955 4.460 -0.001 0.000 0.412 77 C C 0.941 175.925 174.990 -0.010 0.000 1.294 77 C CA 0.001 59.012 59.018 -0.011 0.000 2.127 77 C CB 0.643 28.373 27.740 -0.017 0.000 2.691 77 C HN 0.571 nan 8.230 nan 0.000 0.615 78 Q N 1.657 121.452 119.800 -0.009 0.000 2.390 78 Q HA 0.425 4.764 4.340 -0.001 0.000 0.249 78 Q C -0.804 175.189 176.000 -0.011 0.000 0.996 78 Q CA -0.227 55.571 55.803 -0.009 0.000 0.899 78 Q CB 0.956 29.689 28.738 -0.009 0.000 1.216 78 Q HN 0.573 nan 8.270 nan 0.000 0.465 79 V N 2.060 121.968 119.914 -0.010 0.000 2.465 79 V HA 0.217 4.336 4.120 -0.001 0.000 0.279 79 V C 0.114 176.201 176.094 -0.011 0.000 1.045 79 V CA -0.456 61.838 62.300 -0.010 0.000 0.938 79 V CB 1.655 33.474 31.823 -0.008 0.000 0.986 79 V HN 0.654 nan 8.190 nan 0.000 0.467 80 S N 3.045 118.737 115.700 -0.014 0.000 2.423 80 S HA 0.223 4.692 4.470 -0.001 0.000 0.317 80 S C -0.307 174.284 174.600 -0.016 0.000 1.065 80 S CA -0.440 57.750 58.200 -0.016 0.000 1.111 80 S CB 0.502 63.688 63.200 -0.023 0.000 0.968 80 S HN 0.858 nan 8.310 nan 0.000 0.474 81 D N 3.017 123.409 120.400 -0.013 0.000 2.393 81 D HA 0.137 4.777 4.640 -0.001 0.000 0.232 81 D C 1.078 177.367 176.300 -0.017 0.000 1.192 81 D CA -0.585 53.407 54.000 -0.014 0.000 0.882 81 D CB 0.759 41.553 40.800 -0.010 0.000 1.038 81 D HN 0.317 nan 8.370 nan 0.000 0.499 82 V N 2.165 122.065 119.914 -0.024 0.000 3.623 82 V HA 0.398 4.517 4.120 -0.001 0.000 0.271 82 V C 1.294 177.369 176.094 -0.032 0.000 1.248 82 V CA 0.700 62.984 62.300 -0.027 0.000 1.156 82 V CB -0.956 30.847 31.823 -0.033 0.000 0.870 82 V HN 0.699 nan 8.190 nan 0.000 0.453 83 G N 0.889 109.670 108.800 -0.031 0.000 2.512 83 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.254 83 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.254 83 G C -0.117 174.756 174.900 -0.045 0.000 1.199 83 G CA 0.302 45.382 45.100 -0.033 0.000 0.941 83 G HN 0.785 nan 8.290 nan 0.000 0.569 84 M N 1.400 120.973 119.600 -0.045 0.000 2.077 84 M HA 0.555 5.035 4.480 -0.001 0.000 0.348 84 M C 0.185 176.445 176.300 -0.066 0.000 1.252 84 M CA -0.569 54.699 55.300 -0.053 0.000 1.096 84 M CB 0.426 32.999 32.600 -0.045 0.000 1.568 84 M HN 1.412 nan 8.290 nan 0.000 0.456 85 V N 3.331 123.192 119.914 -0.088 0.000 3.049 85 V HA 0.765 4.884 4.120 -0.001 0.000 0.309 85 V C -2.966 173.041 176.094 -0.145 0.000 1.148 85 V CA -2.237 59.989 62.300 -0.123 0.000 0.990 85 V CB 1.462 33.197 31.823 -0.148 0.000 1.039 85 V HN 0.634 nan 8.190 nan 0.000 0.430 86 P HA 0.194 nan 4.420 nan 0.000 0.268 86 P C 1.037 178.187 177.300 -0.250 0.000 1.208 86 P CA 0.406 63.398 63.100 -0.180 0.000 0.777 86 P CB 0.443 32.029 31.700 -0.190 0.000 0.875 87 T N 3.589 117.991 114.554 -0.254 0.000 2.624 87 T HA -0.119 4.230 4.350 -0.001 0.000 0.268 87 T C -0.757 173.523 174.700 -0.699 0.000 1.041 87 T CA 2.405 64.239 62.100 -0.444 0.000 1.159 87 T CB -1.760 66.888 68.868 -0.367 0.000 0.863 87 T HN 0.586 nan 8.240 nan 0.000 0.434 88 P HA 0.006 nan 4.420 nan 0.000 0.219 88 P C 1.540 178.647 177.300 -0.322 0.000 1.146 88 P CA 0.779 63.747 63.100 -0.220 0.000 0.808 88 P CB -0.265 31.636 31.700 0.336 0.000 0.779 89 V N 0.939 120.594 119.914 -0.431 0.000 2.427 89 V HA -0.177 3.942 4.120 -0.001 0.000 0.248 89 V C 2.669 178.607 176.094 -0.261 0.000 1.051 89 V CA 1.179 63.191 62.300 -0.481 0.000 1.048 89 V CB -1.200 30.271 31.823 -0.586 0.000 0.666 89 V HN 0.088 nan 8.190 nan 0.000 0.456 90 L N -0.361 120.666 121.223 -0.327 0.000 2.017 90 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 90 L C 2.654 179.394 176.870 -0.217 0.000 1.073 90 L CA 2.470 57.159 54.840 -0.251 0.000 0.745 90 L CB -0.916 40.985 42.059 -0.264 0.000 0.894 90 L HN 0.316 nan 8.230 nan 0.000 0.432 91 Y N -0.583 119.462 120.300 -0.426 0.000 2.165 91 Y HA -0.314 4.235 4.550 -0.001 0.000 0.286 91 Y C 2.692 178.129 175.900 -0.772 0.000 1.155 91 Y CA 1.337 59.019 58.100 -0.697 0.000 1.164 91 Y CB -1.702 36.012 38.460 -1.244 0.000 0.978 91 Y HN 0.288 nan 8.280 nan 0.000 0.513 92 Y N 0.504 120.379 120.300 -0.708 0.000 2.081 92 Y HA -0.292 4.257 4.550 -0.001 0.000 0.280 92 Y C 2.525 178.241 175.900 -0.307 0.000 1.163 92 Y CA 1.674 59.552 58.100 -0.370 0.000 1.135 92 Y CB -0.816 37.642 38.460 -0.002 0.000 0.970 92 Y HN 0.053 nan 8.280 nan 0.000 0.498 93 A N 0.961 123.657 122.820 -0.207 0.000 1.869 93 A HA -0.242 4.077 4.320 -0.001 0.000 0.218 93 A C 2.273 179.707 177.584 -0.250 0.000 1.203 93 A CA 2.405 54.307 52.037 -0.224 0.000 0.638 93 A CB -1.756 17.184 19.000 -0.100 0.000 0.831 93 A HN 0.730 nan 8.150 nan 0.000 0.450 94 A N -1.201 121.511 122.820 -0.181 0.000 2.263 94 A HA -0.002 4.317 4.320 -0.001 0.000 0.205 94 A C 1.537 179.022 177.584 -0.165 0.000 1.226 94 A CA 1.082 53.040 52.037 -0.131 0.000 0.810 94 A CB -0.553 18.413 19.000 -0.056 0.000 0.784 94 A HN 0.601 nan 8.150 nan 0.000 0.486 95 N N -1.260 117.259 118.700 -0.302 0.000 2.360 95 N HA 0.014 4.753 4.740 -0.001 0.000 0.211 95 N C 1.389 176.681 175.510 -0.364 0.000 1.147 95 N CA 1.450 54.300 53.050 -0.332 0.000 0.866 95 N CB 0.967 39.117 38.487 -0.562 0.000 1.206 95 N HN 0.462 nan 8.380 nan 0.000 0.478 96 V N -1.579 118.042 119.914 -0.488 0.000 3.635 96 V HA 0.389 4.508 4.120 -0.001 0.000 0.266 96 V C 1.141 177.100 176.094 -0.224 0.000 1.316 96 V CA 0.032 62.092 62.300 -0.400 0.000 1.060 96 V CB 0.054 31.490 31.823 -0.645 0.000 0.820 96 V HN -0.115 nan 8.190 nan 0.000 0.447 97 L N 0.195 121.297 121.223 -0.201 0.000 2.567 97 L HA 0.600 4.939 4.340 -0.001 0.000 0.238 97 L C 2.497 179.318 176.870 -0.082 0.000 1.168 97 L CA 0.515 55.285 54.840 -0.116 0.000 0.817 97 L CB 0.102 42.101 42.059 -0.101 0.000 1.409 97 L HN 0.268 nan 8.230 nan 0.000 0.502 98 E N 0.598 120.765 120.200 -0.055 0.000 2.038 98 E HA -0.040 4.309 4.350 -0.001 0.000 0.195 98 E C 1.007 177.583 176.600 -0.039 0.000 1.000 98 E CA 1.192 57.569 56.400 -0.039 0.000 0.803 98 E CB -1.000 28.684 29.700 -0.027 0.000 0.750 98 E HN 0.796 nan 8.360 nan 0.000 0.448 99 G N -0.738 108.037 108.800 -0.041 0.000 2.476 99 G HA2 0.425 4.385 3.960 -0.001 0.000 0.286 99 G HA3 0.425 4.385 3.960 -0.001 0.000 0.286 99 G C 0.347 175.221 174.900 -0.042 0.000 1.177 99 G CA -0.242 44.837 45.100 -0.034 0.000 0.870 99 G HN 0.107 nan 8.290 nan 0.000 0.528 100 K N 0.394 120.777 120.400 -0.029 0.000 2.397 100 K HA 0.207 4.526 4.320 -0.001 0.000 0.202 100 K C 0.505 177.096 176.600 -0.015 0.000 1.022 100 K CA -0.025 56.246 56.287 -0.027 0.000 1.141 100 K CB 0.704 33.194 32.500 -0.016 0.000 0.857 100 K HN 0.269 nan 8.250 nan 0.000 0.514 101 S N 0.101 115.794 115.700 -0.011 0.000 2.565 101 S HA 0.764 5.233 4.470 -0.001 0.000 0.290 101 S C 0.078 174.682 174.600 0.007 0.000 1.150 101 S CA -0.665 57.537 58.200 0.004 0.000 1.058 101 S CB 2.050 65.253 63.200 0.006 0.000 1.032 101 S HN 0.365 nan 8.310 nan 0.000 0.510 102 G N 0.499 109.319 108.800 0.034 0.000 2.733 102 G HA2 0.530 4.490 3.960 -0.001 0.000 0.297 102 G HA3 0.530 4.490 3.960 -0.001 0.000 0.297 102 G C -1.820 173.133 174.900 0.088 0.000 1.452 102 G CA -0.484 44.644 45.100 0.046 0.000 0.940 102 G HN 0.637 nan 8.290 nan 0.000 0.547 103 V N 1.563 121.526 119.914 0.082 0.000 2.540 103 V HA 0.710 4.829 4.120 -0.001 0.000 0.302 103 V C -0.203 175.946 176.094 0.091 0.000 1.035 103 V CA -0.831 61.545 62.300 0.127 0.000 0.873 103 V CB 1.706 33.623 31.823 0.156 0.000 0.992 103 V HN 0.834 nan 8.190 nan 0.000 0.428 104 M N 5.536 125.192 119.600 0.095 0.000 2.101 104 M HA 0.558 5.037 4.480 -0.001 0.000 0.340 104 M C -1.082 175.210 176.300 -0.012 0.000 1.057 104 M CA -0.728 54.571 55.300 -0.002 0.000 0.984 104 M CB 1.162 33.711 32.600 -0.085 0.000 1.560 104 M HN 0.640 nan 8.290 nan 0.000 0.435 105 L N 5.698 126.874 121.223 -0.078 0.000 2.312 105 L HA 0.609 4.948 4.340 -0.001 0.000 0.287 105 L C -0.685 176.075 176.870 -0.183 0.000 1.091 105 L CA 0.728 55.435 54.840 -0.222 0.000 0.846 105 L CB 0.175 42.113 42.059 -0.202 0.000 1.219 105 L HN 0.856 nan 8.230 nan 0.000 0.439 106 T N 2.637 117.083 114.554 -0.180 0.000 2.894 106 T HA 0.781 5.131 4.350 -0.001 0.000 0.309 106 T C -0.206 174.454 174.700 -0.067 0.000 1.208 106 T CA -0.046 61.997 62.100 -0.094 0.000 1.016 106 T CB 1.187 70.020 68.868 -0.058 0.000 1.192 106 T HN 0.689 nan 8.240 nan 0.000 0.491 110 N N 3.319 121.658 118.700 -0.602 0.000 2.424 110 N HA 0.289 5.028 4.740 -0.001 0.000 0.257 110 N C -2.551 172.717 175.510 -0.403 0.000 1.250 110 N CA -1.072 51.562 53.050 -0.694 0.000 0.946 110 N CB 0.668 38.585 38.487 -0.949 0.000 1.175 110 N HN 0.043 nan 8.380 nan 0.000 0.477 111 P HA -0.061 nan 4.420 nan 0.000 0.269 111 P C -1.835 175.618 177.300 0.255 0.000 1.205 111 P CA -0.621 62.472 63.100 -0.012 0.000 0.780 111 P CB 0.024 31.738 31.700 0.023 0.000 0.858 112 P HA -0.198 nan 4.420 nan 0.000 0.216 112 P C 0.725 178.134 177.300 0.183 0.000 1.150 112 P CA 1.636 64.883 63.100 0.246 0.000 0.843 112 P CB -0.079 31.678 31.700 0.096 0.000 0.787 113 D N -2.798 117.729 120.400 0.211 0.000 2.317 113 D HA -0.051 4.589 4.640 -0.001 0.000 0.211 113 D C 0.417 176.774 176.300 0.094 0.000 0.966 113 D CA 0.553 54.620 54.000 0.111 0.000 0.876 113 D CB -0.440 40.389 40.800 0.050 0.000 0.927 113 D HN 0.204 nan 8.370 nan 0.000 0.519 114 Y N 0.970 121.279 120.300 0.016 0.000 2.397 114 Y HA 0.205 4.754 4.550 -0.001 0.000 0.335 114 Y C 1.279 177.165 175.900 -0.023 0.000 1.213 114 Y CA 0.262 58.360 58.100 -0.005 0.000 1.391 114 Y CB 0.450 38.900 38.460 -0.017 0.000 1.293 114 Y HN -0.198 nan 8.280 nan 0.000 0.557 115 N N -0.686 118.056 118.700 0.070 0.000 3.344 115 N HA 0.707 5.446 4.740 -0.001 0.000 0.296 115 N C -0.636 174.816 175.510 -0.096 0.000 1.571 115 N CA 0.169 53.196 53.050 -0.038 0.000 0.844 115 N CB 2.040 40.457 38.487 -0.118 0.000 1.718 115 N HN 0.792 nan 8.380 nan 0.000 0.589 116 G N -0.698 107.917 108.800 -0.309 0.000 2.323 116 G HA2 0.438 4.397 3.960 -0.001 0.000 0.291 116 G HA3 0.438 4.397 3.960 -0.001 0.000 0.291 116 G C -2.281 172.243 174.900 -0.627 0.000 1.278 116 G CA -0.637 44.284 45.100 -0.299 0.000 0.860 116 G HN 0.272 nan 8.290 nan 0.000 0.504 117 F N 0.407 120.376 119.950 0.032 0.000 2.607 117 F HA 0.576 5.102 4.527 -0.001 0.000 0.322 117 F C 0.009 175.871 175.800 0.102 0.000 1.176 117 F CA -0.777 57.250 58.000 0.046 0.000 0.977 117 F CB 2.626 41.636 39.000 0.017 0.000 1.242 117 F HN 0.217 nan 8.300 nan 0.000 0.465 118 K N 4.377 124.945 120.400 0.280 0.000 2.213 118 K HA 0.784 5.103 4.320 -0.001 0.000 0.270 118 K C -1.033 175.757 176.600 0.317 0.000 1.002 118 K CA -0.433 56.054 56.287 0.333 0.000 0.868 118 K CB 1.850 34.554 32.500 0.341 0.000 1.093 118 K HN 0.529 nan 8.250 nan 0.000 0.454 119 I N 2.510 123.253 120.570 0.288 0.000 2.466 119 I HA 0.323 4.492 4.170 -0.001 0.000 0.289 119 I C -0.873 175.338 176.117 0.158 0.000 1.026 119 I CA -1.220 60.202 61.300 0.203 0.000 1.078 119 I CB 2.036 40.129 38.000 0.154 0.000 1.249 119 I HN 0.162 nan 8.210 nan 0.000 0.429 120 V N 6.658 126.646 119.914 0.123 0.000 2.444 120 V HA 0.490 4.609 4.120 -0.001 0.000 0.294 120 V C -0.291 175.834 176.094 0.051 0.000 1.022 120 V CA -0.674 61.668 62.300 0.070 0.000 0.850 120 V CB 2.090 33.942 31.823 0.048 0.000 0.992 120 V HN 0.433 nan 8.190 nan 0.000 0.426 121 V N 3.423 123.360 119.914 0.037 0.000 2.487 121 V HA 0.704 4.823 4.120 -0.001 0.000 0.298 121 V C 0.700 176.803 176.094 0.015 0.000 1.028 121 V CA -0.200 62.115 62.300 0.025 0.000 0.860 121 V CB 1.326 33.164 31.823 0.026 0.000 0.991 121 V HN 1.321 nan 8.190 nan 0.000 0.427 122 A N 3.850 126.675 122.820 0.008 0.000 2.704 122 A HA 0.020 4.340 4.320 -0.001 0.000 0.299 122 A C 1.810 179.397 177.584 0.004 0.000 1.507 122 A CA 1.538 53.578 52.037 0.004 0.000 0.776 122 A CB -1.503 17.499 19.000 0.003 0.000 1.027 122 A HN 2.712 nan 8.150 nan 0.000 0.475 123 G N -1.907 106.896 108.800 0.005 0.000 2.241 123 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.244 123 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.244 123 G C -0.028 174.879 174.900 0.011 0.000 0.998 123 G CA 0.999 46.104 45.100 0.009 0.000 0.621 123 G HN 1.666 nan 8.290 nan 0.000 0.519 124 E N 1.357 121.564 120.200 0.011 0.000 2.151 124 E HA 0.530 4.879 4.350 -0.001 0.000 0.275 124 E C -0.398 176.214 176.600 0.019 0.000 0.936 124 E CA -0.328 56.079 56.400 0.012 0.000 0.777 124 E CB 0.721 30.428 29.700 0.011 0.000 1.108 124 E HN 0.108 nan 8.360 nan 0.000 0.401 125 T N 5.165 119.727 114.554 0.014 0.000 2.779 125 T HA 0.197 4.546 4.350 -0.001 0.000 0.296 125 T C 0.488 175.214 174.700 0.043 0.000 0.938 125 T CA -0.329 61.789 62.100 0.030 0.000 1.119 125 T CB 0.100 68.975 68.868 0.013 0.000 0.891 125 T HN 0.371 nan 8.240 nan 0.000 0.526 126 L N 2.706 123.971 121.223 0.069 0.000 2.426 126 L HA 0.565 4.904 4.340 -0.001 0.000 0.271 126 L C 0.591 177.508 176.870 0.077 0.000 1.169 126 L CA -0.378 54.505 54.840 0.072 0.000 0.836 126 L CB 0.223 42.334 42.059 0.087 0.000 1.112 126 L HN 0.754 nan 8.230 nan 0.000 0.465 127 A N 2.036 124.898 122.820 0.070 0.000 2.612 127 A HA 0.554 4.873 4.320 -0.001 0.000 0.293 127 A C -0.120 177.499 177.584 0.059 0.000 1.075 127 A CA -0.596 51.487 52.037 0.077 0.000 0.680 127 A CB 1.417 20.466 19.000 0.081 0.000 1.279 127 A HN 0.774 nan 8.150 nan 0.000 0.411 128 N N 0.548 119.275 118.700 0.046 0.000 1.518 128 N HA -0.251 4.489 4.740 -0.001 0.000 0.146 128 N C 1.144 176.663 175.510 0.016 0.000 0.621 128 N CA 2.019 55.075 53.050 0.011 0.000 1.108 128 N CB -0.787 37.698 38.487 -0.003 0.000 1.310 128 N HN 0.995 nan 8.380 nan 0.000 0.457 129 E N 2.054 122.256 120.200 0.003 0.000 2.418 129 E HA -0.107 4.242 4.350 -0.001 0.000 0.197 129 E C 1.319 177.926 176.600 0.011 0.000 1.026 129 E CA 1.163 57.562 56.400 -0.003 0.000 0.862 129 E CB -0.291 29.400 29.700 -0.015 0.000 0.799 129 E HN 0.638 nan 8.360 nan 0.000 0.518 130 Q N 0.124 119.942 119.800 0.030 0.000 2.163 130 Q HA 0.016 4.355 4.340 -0.001 0.000 0.198 130 Q C 2.226 178.267 176.000 0.068 0.000 0.954 130 Q CA 0.581 56.407 55.803 0.039 0.000 0.851 130 Q CB 0.126 28.890 28.738 0.042 0.000 0.928 130 Q HN 0.239 nan 8.270 nan 0.000 0.459 131 I N 1.147 121.778 120.570 0.101 0.000 2.142 131 I HA -0.258 3.911 4.170 -0.001 0.000 0.240 131 I C 2.251 178.488 176.117 0.199 0.000 1.078 131 I CA 1.380 62.794 61.300 0.190 0.000 1.343 131 I CB -1.256 36.870 38.000 0.210 0.000 1.046 131 I HN 0.278 nan 8.210 nan 0.000 0.405 132 Q N 0.790 120.642 119.800 0.087 0.000 2.152 132 Q HA -0.187 4.153 4.340 -0.001 0.000 0.206 132 Q C 2.391 178.320 176.000 -0.117 0.000 0.985 132 Q CA 1.980 57.750 55.803 -0.056 0.000 0.863 132 Q CB -0.774 27.938 28.738 -0.044 0.000 0.904 132 Q HN 0.582 nan 8.270 nan 0.000 0.422 133 A N 0.809 123.601 122.820 -0.046 0.000 1.940 133 A HA -0.156 4.164 4.320 -0.001 0.000 0.219 133 A C 2.292 179.842 177.584 -0.057 0.000 1.176 133 A CA 1.247 53.254 52.037 -0.049 0.000 0.631 133 A CB -0.736 18.254 19.000 -0.016 0.000 0.814 133 A HN 0.344 nan 8.150 nan 0.000 0.446 134 L N -1.172 120.043 121.223 -0.014 0.000 2.042 134 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 134 L C 2.819 179.635 176.870 -0.089 0.000 1.076 134 L CA 1.868 56.721 54.840 0.021 0.000 0.749 134 L CB -0.542 41.616 42.059 0.164 0.000 0.893 134 L HN 0.446 nan 8.230 nan 0.000 0.432 135 R N 0.637 120.904 120.500 -0.389 0.000 2.075 135 R HA -0.178 4.162 4.340 -0.001 0.000 0.232 135 R C 2.116 178.200 176.300 -0.360 0.000 1.126 135 R CA 1.698 57.359 56.100 -0.731 0.000 0.963 135 R CB -0.052 29.377 30.300 -1.452 0.000 0.858 135 R HN 0.416 nan 8.270 nan 0.000 0.435 136 E N -0.332 119.709 120.200 -0.264 0.000 2.204 136 E HA -0.139 4.210 4.350 -0.001 0.000 0.194 136 E C 2.149 178.677 176.600 -0.121 0.000 0.989 136 E CA 0.835 57.133 56.400 -0.169 0.000 0.824 136 E CB 0.006 29.629 29.700 -0.128 0.000 0.756 136 E HN 0.272 nan 8.360 nan 0.000 0.477 137 R N 0.349 120.791 120.500 -0.098 0.000 2.081 137 R HA -0.111 4.229 4.340 -0.001 0.000 0.235 137 R C 2.269 178.530 176.300 -0.065 0.000 1.131 137 R CA 1.194 57.258 56.100 -0.059 0.000 0.960 137 R CB -0.257 30.026 30.300 -0.027 0.000 0.856 137 R HN 0.211 nan 8.270 nan 0.000 0.436 138 I N 0.680 121.200 120.570 -0.083 0.000 2.202 138 I HA -0.241 3.929 4.170 -0.001 0.000 0.242 138 I C 2.299 178.303 176.117 -0.188 0.000 1.091 138 I CA 1.158 62.384 61.300 -0.122 0.000 1.368 138 I CB -0.281 37.660 38.000 -0.099 0.000 1.058 138 I HN 0.091 nan 8.210 nan 0.000 0.410 139 E N 1.331 121.429 120.200 -0.170 0.000 2.058 139 E HA -0.243 4.106 4.350 -0.001 0.000 0.194 139 E C 2.158 178.682 176.600 -0.127 0.000 0.997 139 E CA 1.432 57.739 56.400 -0.156 0.000 0.801 139 E CB -0.280 29.335 29.700 -0.141 0.000 0.746 139 E HN 0.483 nan 8.360 nan 0.000 0.450 140 K N 0.433 120.770 120.400 -0.104 0.000 2.283 140 K HA -0.047 4.272 4.320 -0.001 0.000 0.202 140 K C 0.806 177.364 176.600 -0.070 0.000 1.048 140 K CA 0.377 56.618 56.287 -0.077 0.000 0.948 140 K CB -0.075 32.388 32.500 -0.061 0.000 0.742 140 K HN 0.142 nan 8.250 nan 0.000 0.458 141 N N 1.599 120.248 118.700 -0.085 0.000 2.747 141 N HA -0.180 4.559 4.740 -0.001 0.000 0.249 141 N C -1.038 174.461 175.510 -0.018 0.000 1.107 141 N CA 0.387 53.402 53.050 -0.058 0.000 0.707 141 N CB -0.788 37.664 38.487 -0.059 0.000 1.054 141 N HN 0.169 nan 8.380 nan 0.000 0.555 142 D N 1.438 121.825 120.400 -0.021 0.000 2.608 142 D HA 0.274 4.914 4.640 -0.001 0.000 0.224 142 D C -0.361 175.944 176.300 0.009 0.000 1.123 142 D CA 0.186 54.181 54.000 -0.008 0.000 1.030 142 D CB -0.371 40.418 40.800 -0.018 0.000 1.093 142 D HN 0.366 nan 8.370 nan 0.000 0.497 143 L N 1.212 122.453 121.223 0.030 0.000 2.386 143 L HA 0.641 4.981 4.340 -0.001 0.000 0.271 143 L C 0.430 177.329 176.870 0.049 0.000 0.993 143 L CA -1.314 53.557 54.840 0.052 0.000 0.819 143 L CB 1.936 44.060 42.059 0.108 0.000 1.294 143 L HN 0.052 nan 8.230 nan 0.000 0.414 144 A N 1.782 124.623 122.820 0.035 0.000 2.366 144 A HA 0.675 4.994 4.320 -0.001 0.000 0.249 144 A C -0.057 177.550 177.584 0.039 0.000 1.084 144 A CA -0.066 51.988 52.037 0.029 0.000 0.794 144 A CB 0.438 19.447 19.000 0.014 0.000 1.034 144 A HN 0.626 nan 8.150 nan 0.000 0.491 145 S N -0.419 115.302 115.700 0.035 0.000 2.614 145 S HA 0.772 5.241 4.470 -0.001 0.000 0.288 145 S C 0.044 174.660 174.600 0.027 0.000 1.137 145 S CA 0.043 58.267 58.200 0.040 0.000 0.992 145 S CB 1.742 64.972 63.200 0.051 0.000 1.026 145 S HN 1.562 nan 8.310 nan 0.000 0.486 146 G N 0.587 109.401 108.800 0.023 0.000 2.606 146 G HA2 0.556 4.516 3.960 -0.001 0.000 0.300 146 G HA3 0.556 4.516 3.960 -0.001 0.000 0.300 146 G C -1.849 173.060 174.900 0.015 0.000 1.360 146 G CA -0.500 44.609 45.100 0.016 0.000 0.783 146 G HN 0.582 nan 8.290 nan 0.000 0.484 147 V N 1.669 121.589 119.914 0.011 0.000 2.257 147 V HA 0.604 4.724 4.120 -0.001 0.000 0.269 147 V C 1.125 177.222 176.094 0.005 0.000 1.040 147 V CA 0.102 62.408 62.300 0.009 0.000 0.813 147 V CB 0.283 32.111 31.823 0.008 0.000 1.065 147 V HN 1.056 nan 8.190 nan 0.000 0.457 148 G N 3.235 112.037 108.800 0.003 0.000 2.516 148 G HA2 0.607 4.566 3.960 -0.001 0.000 0.276 148 G HA3 0.607 4.566 3.960 -0.001 0.000 0.276 148 G C 0.034 174.933 174.900 -0.000 0.000 1.390 148 G CA 0.330 45.430 45.100 -0.001 0.000 1.050 148 G HN 0.903 nan 8.290 nan 0.000 0.519 149 S N -2.804 112.894 115.700 -0.003 0.000 2.607 149 S HA 0.642 5.111 4.470 -0.001 0.000 0.273 149 S C -1.405 173.193 174.600 -0.004 0.000 1.148 149 S CA -0.723 57.476 58.200 -0.002 0.000 0.833 149 S CB 1.955 65.153 63.200 -0.003 0.000 1.130 149 S HN 0.929 nan 8.310 nan 0.000 0.470 150 V N 0.658 120.570 119.914 -0.003 0.000 2.483 150 V HA 0.864 4.983 4.120 -0.001 0.000 0.297 150 V C 0.057 176.148 176.094 -0.005 0.000 1.027 150 V CA -0.180 62.117 62.300 -0.004 0.000 0.855 150 V CB 0.728 32.550 31.823 -0.003 0.000 0.995 150 V HN 1.230 nan 8.190 nan 0.000 0.424 151 E N 3.305 123.502 120.200 -0.006 0.000 2.171 151 E HA 0.634 4.984 4.350 -0.001 0.000 0.271 151 E C -0.493 176.102 176.600 -0.007 0.000 0.916 151 E CA -0.985 55.411 56.400 -0.006 0.000 0.774 151 E CB 1.436 31.132 29.700 -0.007 0.000 1.128 151 E HN 0.621 nan 8.360 nan 0.000 0.403 152 Q N 0.462 120.258 119.800 -0.006 0.000 2.313 152 Q HA 0.431 4.770 4.340 -0.001 0.000 0.266 152 Q C -0.503 175.494 176.000 -0.005 0.000 0.989 152 Q CA -0.276 55.523 55.803 -0.007 0.000 0.890 152 Q CB 1.388 30.122 28.738 -0.006 0.000 1.200 152 Q HN 0.437 nan 8.270 nan 0.000 0.396 153 V N 2.466 122.377 119.914 -0.005 0.000 2.524 153 V HA 0.118 4.237 4.120 -0.001 0.000 0.297 153 V C -0.644 175.453 176.094 0.005 0.000 1.035 153 V CA -0.976 61.324 62.300 0.000 0.000 0.867 153 V CB 2.056 33.876 31.823 -0.004 0.000 1.004 153 V HN 0.602 nan 8.190 nan 0.000 0.426 154 D N 3.501 123.909 120.400 0.012 0.000 2.468 154 D HA 0.304 4.943 4.640 -0.001 0.000 0.218 154 D C 0.441 176.768 176.300 0.044 0.000 1.155 154 D CA -0.112 53.898 54.000 0.018 0.000 0.924 154 D CB 1.237 42.044 40.800 0.011 0.000 1.029 154 D HN 0.441 nan 8.370 nan 0.000 0.515 155 I N 3.891 124.495 120.570 0.057 0.000 3.035 155 I HA 0.039 4.209 4.170 -0.001 0.000 0.271 155 I C 1.853 178.068 176.117 0.164 0.000 1.190 155 I CA 0.186 61.559 61.300 0.122 0.000 1.472 155 I CB 0.090 38.164 38.000 0.123 0.000 1.116 155 I HN 0.477 nan 8.210 nan 0.000 0.443 156 L N 1.495 122.774 121.223 0.093 0.000 2.021 156 L HA -0.177 4.163 4.340 -0.001 0.000 0.215 156 L C -0.387 176.592 176.870 0.182 0.000 1.074 156 L CA 2.251 57.156 54.840 0.109 0.000 0.760 156 L CB -1.857 40.228 42.059 0.042 0.000 0.889 156 L HN 0.210 nan 8.230 nan 0.000 0.433 157 P HA -0.125 nan 4.420 nan 0.000 0.220 157 P C 1.522 178.937 177.300 0.191 0.000 1.148 157 P CA 1.832 64.985 63.100 0.089 0.000 0.803 157 P CB -0.145 31.564 31.700 0.015 0.000 0.782 158 R N -0.878 119.750 120.500 0.215 0.000 2.093 158 R HA -0.135 4.205 4.340 -0.001 0.000 0.224 158 R C 2.219 178.673 176.300 0.256 0.000 1.101 158 R CA 1.536 57.791 56.100 0.258 0.000 0.979 158 R CB -2.395 28.079 30.300 0.291 0.000 0.877 158 R HN 0.250 nan 8.270 nan 0.000 0.441 159 Y N 0.023 120.319 120.300 -0.006 0.000 2.128 159 Y HA -0.177 4.372 4.550 -0.001 0.000 0.284 159 Y C 2.069 177.949 175.900 -0.032 0.000 1.154 159 Y CA 2.064 59.933 58.100 -0.385 0.000 1.149 159 Y CB -0.541 37.694 38.460 -0.376 0.000 0.976 159 Y HN 0.292 nan 8.280 nan 0.000 0.505 160 F N 1.175 121.154 119.950 0.048 0.000 2.065 160 F HA -0.261 4.266 4.527 -0.001 0.000 0.298 160 F C 2.525 178.305 175.800 -0.033 0.000 1.112 160 F CA 2.533 60.536 58.000 0.004 0.000 1.212 160 F CB -0.499 38.541 39.000 0.068 0.000 0.975 160 F HN 0.002 nan 8.300 nan 0.000 0.476 161 K N -0.303 120.281 120.400 0.306 0.000 2.097 161 K HA -0.240 4.079 4.320 -0.001 0.000 0.205 161 K C 2.210 178.856 176.600 0.077 0.000 1.050 161 K CA 1.348 57.756 56.287 0.201 0.000 0.938 161 K CB -0.219 32.411 32.500 0.217 0.000 0.718 161 K HN 0.312 nan 8.250 nan 0.000 0.442 162 Q N 1.037 120.883 119.800 0.076 0.000 2.061 162 Q HA -0.151 4.188 4.340 -0.001 0.000 0.204 162 Q C 1.737 177.774 176.000 0.062 0.000 0.984 162 Q CA 1.960 57.833 55.803 0.116 0.000 0.846 162 Q CB -0.078 28.772 28.738 0.186 0.000 0.902 162 Q HN 0.392 nan 8.270 nan 0.000 0.421 163 I N -0.546 119.972 120.570 -0.087 0.000 2.233 163 I HA -0.216 3.953 4.170 -0.001 0.000 0.243 163 I C 2.631 178.653 176.117 -0.158 0.000 1.093 163 I CA 1.151 62.367 61.300 -0.140 0.000 1.380 163 I CB -0.422 37.391 38.000 -0.312 0.000 1.067 163 I HN 0.193 nan 8.210 nan 0.000 0.413 164 R N 1.096 121.462 120.500 -0.224 0.000 2.091 164 R HA -0.216 4.124 4.340 -0.001 0.000 0.238 164 R C 1.526 177.776 176.300 -0.082 0.000 1.136 164 R CA 2.091 58.076 56.100 -0.190 0.000 0.959 164 R CB -0.178 30.000 30.300 -0.204 0.000 0.856 164 R HN 0.314 nan 8.270 nan 0.000 0.437 165 D N -0.507 119.875 120.400 -0.031 0.000 2.347 165 D HA -0.088 4.551 4.640 -0.001 0.000 0.215 165 D C 0.874 177.172 176.300 -0.004 0.000 0.976 165 D CA 0.953 54.953 54.000 0.001 0.000 0.884 165 D CB 0.010 40.830 40.800 0.035 0.000 0.915 165 D HN 0.292 nan 8.370 nan 0.000 0.526 166 D N -0.859 119.533 120.400 -0.013 0.000 2.423 166 D HA 0.021 4.660 4.640 -0.001 0.000 0.208 166 D C 0.023 176.287 176.300 -0.060 0.000 1.068 166 D CA -0.014 53.978 54.000 -0.013 0.000 0.860 166 D CB 0.607 41.427 40.800 0.034 0.000 0.992 166 D HN -0.096 nan 8.370 nan 0.000 0.504 167 I N 1.748 122.261 120.570 -0.095 0.000 2.342 167 I HA 0.453 4.622 4.170 -0.001 0.000 0.291 167 I C -0.004 176.055 176.117 -0.096 0.000 1.010 167 I CA -0.770 60.450 61.300 -0.133 0.000 1.308 167 I CB 0.805 38.691 38.000 -0.189 0.000 1.400 167 I HN -0.071 nan 8.210 nan 0.000 0.488 168 A N 8.109 130.877 122.820 -0.087 0.000 2.709 168 A HA 0.574 4.893 4.320 -0.001 0.000 0.332 168 A C -0.033 177.515 177.584 -0.060 0.000 1.241 168 A CA -0.614 51.385 52.037 -0.062 0.000 0.782 168 A CB 0.360 19.331 19.000 -0.048 0.000 1.109 168 A HN 0.714 nan 8.150 nan 0.000 0.472 169 M N 1.682 121.247 119.600 -0.059 0.000 2.228 169 M HA 0.214 4.693 4.480 -0.001 0.000 0.351 169 M C 1.358 177.635 176.300 -0.037 0.000 1.233 169 M CA 0.092 55.362 55.300 -0.050 0.000 1.129 169 M CB 1.409 33.980 32.600 -0.049 0.000 1.604 169 M HN 0.721 nan 8.290 nan 0.000 0.457 170 A N 4.063 126.862 122.820 -0.035 0.000 2.081 170 A HA 0.056 4.375 4.320 -0.001 0.000 0.214 170 A C 0.485 178.054 177.584 -0.024 0.000 1.158 170 A CA 0.819 52.839 52.037 -0.029 0.000 0.724 170 A CB 0.142 19.124 19.000 -0.030 0.000 0.826 170 A HN 0.827 nan 8.150 nan 0.000 0.463 171 K N -0.745 119.641 120.400 -0.024 0.000 2.536 171 K HA 0.559 4.878 4.320 -0.001 0.000 0.269 171 K C -3.421 173.169 176.600 -0.017 0.000 0.965 171 K CA -2.029 54.247 56.287 -0.019 0.000 0.860 171 K CB 1.536 34.025 32.500 -0.019 0.000 1.423 171 K HN -0.163 nan 8.250 nan 0.000 0.438 172 P HA 0.092 nan 4.420 nan 0.000 0.269 172 P C -0.935 176.360 177.300 -0.008 0.000 1.209 172 P CA -0.037 63.057 63.100 -0.010 0.000 0.776 172 P CB 0.575 32.271 31.700 -0.007 0.000 0.876 173 M N 1.160 120.757 119.600 -0.006 0.000 2.550 173 M HA 0.379 4.859 4.480 -0.001 0.000 0.292 173 M C -0.165 176.136 176.300 0.002 0.000 1.221 173 M CA -0.839 54.460 55.300 -0.002 0.000 0.873 173 M CB 3.237 35.836 32.600 -0.002 0.000 1.727 173 M HN 0.183 nan 8.290 nan 0.000 0.459 174 K N 1.946 122.349 120.400 0.004 0.000 2.339 174 K HA 0.674 4.994 4.320 -0.001 0.000 0.264 174 K C -1.906 174.699 176.600 0.007 0.000 0.986 174 K CA -0.459 55.831 56.287 0.005 0.000 0.866 174 K CB 1.231 33.733 32.500 0.003 0.000 1.103 174 K HN 0.521 nan 8.250 nan 0.000 0.441 175 V N 4.704 124.624 119.914 0.011 0.000 2.531 175 V HA 0.311 4.430 4.120 -0.001 0.000 0.301 175 V C -0.478 175.625 176.094 0.015 0.000 1.034 175 V CA -1.119 61.190 62.300 0.014 0.000 0.865 175 V CB 1.727 33.565 31.823 0.025 0.000 0.995 175 V HN 0.531 nan 8.190 nan 0.000 0.424 176 V N 5.212 125.129 119.914 0.006 0.000 2.488 176 V HA 0.364 4.483 4.120 -0.001 0.000 0.277 176 V C 0.045 176.153 176.094 0.023 0.000 1.046 176 V CA -0.278 62.024 62.300 0.004 0.000 0.986 176 V CB 1.370 33.185 31.823 -0.013 0.000 0.989 176 V HN 0.607 nan 8.190 nan 0.000 0.475 177 V N 4.051 123.994 119.914 0.048 0.000 2.444 177 V HA 0.433 4.552 4.120 -0.001 0.000 0.294 177 V C -0.535 175.630 176.094 0.118 0.000 1.022 177 V CA -0.488 61.882 62.300 0.116 0.000 0.850 177 V CB 1.873 33.802 31.823 0.177 0.000 0.992 177 V HN 0.919 nan 8.190 nan 0.000 0.426 178 D N 3.328 123.823 120.400 0.159 0.000 2.440 178 D HA 0.324 4.963 4.640 -0.001 0.000 0.239 178 D C 0.240 176.725 176.300 0.309 0.000 1.084 178 D CA -0.275 53.849 54.000 0.206 0.000 0.843 178 D CB 1.835 42.758 40.800 0.205 0.000 1.097 178 D HN 0.545 nan 8.370 nan 0.000 0.531 179 C N 2.181 121.659 119.300 0.297 0.000 2.906 179 C HA 0.377 4.836 4.460 -0.001 0.000 0.274 179 C C 1.651 176.779 174.990 0.230 0.000 1.257 179 C CA 0.071 59.263 59.018 0.289 0.000 1.695 179 C CB -0.786 27.065 27.740 0.185 0.000 1.958 179 C HN 0.886 nan 8.230 nan 0.000 0.619 180 G N 2.312 111.252 108.800 0.234 0.000 2.321 180 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.287 180 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.287 180 G C 0.271 175.191 174.900 0.033 0.000 1.018 180 G CA 0.892 45.994 45.100 0.004 0.000 0.855 180 G HN 0.750 nan 8.290 nan 0.000 0.507 181 N N -2.396 116.398 118.700 0.158 0.000 2.753 181 N HA -0.195 4.544 4.740 -0.001 0.000 0.251 181 N C 1.420 177.115 175.510 0.308 0.000 1.097 181 N CA 1.228 54.404 53.050 0.211 0.000 0.786 181 N CB -0.979 37.625 38.487 0.195 0.000 1.137 181 N HN 1.264 nan 8.380 nan 0.000 0.566 182 G N -0.403 108.560 108.800 0.272 0.000 2.494 182 G HA2 0.338 4.298 3.960 -0.001 0.000 0.270 182 G HA3 0.338 4.298 3.960 -0.001 0.000 0.270 182 G C 0.863 175.846 174.900 0.137 0.000 1.423 182 G CA 0.103 45.364 45.100 0.268 0.000 1.055 182 G HN 0.151 nan 8.290 nan 0.000 0.536 183 V N 0.124 120.088 119.914 0.083 0.000 3.608 183 V HA 0.247 4.367 4.120 -0.001 0.000 0.269 183 V C 2.636 178.712 176.094 -0.030 0.000 1.245 183 V CA 1.500 63.810 62.300 0.016 0.000 1.138 183 V CB -0.365 31.453 31.823 -0.007 0.000 0.841 183 V HN 0.780 nan 8.190 nan 0.000 0.451 184 A N 0.294 123.087 122.820 -0.044 0.000 2.019 184 A HA -0.010 4.310 4.320 -0.001 0.000 0.219 184 A C 2.246 179.750 177.584 -0.134 0.000 1.164 184 A CA 1.462 53.397 52.037 -0.169 0.000 0.644 184 A CB -1.038 17.768 19.000 -0.323 0.000 0.805 184 A HN 0.668 nan 8.150 nan 0.000 0.449 185 G N -0.038 108.740 108.800 -0.036 0.000 2.537 185 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.220 185 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.220 185 G C 1.387 176.282 174.900 -0.009 0.000 1.111 185 G CA 1.406 46.504 45.100 -0.003 0.000 0.748 185 G HN 1.050 nan 8.290 nan 0.000 0.564 186 V N -2.638 117.262 119.914 -0.024 0.000 3.041 186 V HA 0.339 4.459 4.120 -0.001 0.000 0.260 186 V C 1.846 177.945 176.094 0.008 0.000 1.105 186 V CA 1.547 63.839 62.300 -0.014 0.000 1.125 186 V CB 0.011 31.818 31.823 -0.027 0.000 0.730 186 V HN 0.361 nan 8.190 nan 0.000 0.479 187 I N -1.792 118.783 120.570 0.009 0.000 5.139 187 I HA 0.375 4.545 4.170 -0.001 0.000 0.334 187 I C 2.215 178.371 176.117 0.065 0.000 1.217 187 I CA 0.834 62.188 61.300 0.089 0.000 1.448 187 I CB 0.177 38.266 38.000 0.148 0.000 1.538 187 I HN 0.135 nan 8.210 nan 0.000 0.527 188 A N 2.501 125.276 122.820 -0.074 0.000 1.877 188 A HA -0.023 4.297 4.320 -0.001 0.000 0.216 188 A C -0.551 177.027 177.584 -0.010 0.000 1.186 188 A CA 1.950 53.896 52.037 -0.151 0.000 0.620 188 A CB -1.922 16.760 19.000 -0.529 0.000 0.822 188 A HN 0.362 nan 8.150 nan 0.000 0.443 189 P HA -0.074 nan 4.420 nan 0.000 0.220 189 P C 1.142 178.488 177.300 0.076 0.000 1.152 189 P CA 1.169 64.304 63.100 0.058 0.000 0.812 189 P CB -0.061 31.671 31.700 0.052 0.000 0.792 190 Q N -0.420 119.446 119.800 0.109 0.000 2.020 190 Q HA -0.145 4.194 4.340 -0.001 0.000 0.202 190 Q C 2.136 178.297 176.000 0.267 0.000 0.982 190 Q CA 1.287 57.204 55.803 0.191 0.000 0.838 190 Q CB -1.414 27.460 28.738 0.227 0.000 0.899 190 Q HN 0.168 nan 8.270 nan 0.000 0.423 191 L N 0.073 121.422 121.223 0.209 0.000 2.027 191 L HA -0.077 4.262 4.340 -0.001 0.000 0.206 191 L C 1.931 178.729 176.870 -0.120 0.000 1.074 191 L CA 1.522 56.290 54.840 -0.119 0.000 0.745 191 L CB -0.399 41.505 42.059 -0.258 0.000 0.898 191 L HN 0.256 nan 8.230 nan 0.000 0.433 192 I N -0.290 120.258 120.570 -0.036 0.000 2.208 192 I HA -0.318 3.851 4.170 -0.001 0.000 0.245 192 I C 2.599 178.712 176.117 -0.007 0.000 1.097 192 I CA 1.762 63.051 61.300 -0.019 0.000 1.363 192 I CB -0.471 37.551 38.000 0.036 0.000 1.051 192 I HN 0.474 nan 8.210 nan 0.000 0.413 193 E N 1.287 121.503 120.200 0.027 0.000 2.058 193 E HA -0.274 4.076 4.350 -0.001 0.000 0.194 193 E C 2.269 178.888 176.600 0.032 0.000 0.997 193 E CA 1.502 57.924 56.400 0.036 0.000 0.801 193 E CB -0.062 29.672 29.700 0.057 0.000 0.746 193 E HN 0.497 nan 8.360 nan 0.000 0.450 194 A N 1.036 123.887 122.820 0.052 0.000 2.076 194 A HA -0.135 4.184 4.320 -0.001 0.000 0.220 194 A C 2.139 179.711 177.584 -0.021 0.000 1.160 194 A CA 0.944 53.014 52.037 0.054 0.000 0.653 194 A CB -0.560 18.517 19.000 0.127 0.000 0.801 194 A HN 0.313 nan 8.150 nan 0.000 0.455 195 L N -1.468 119.718 121.223 -0.063 0.000 2.465 195 L HA 0.125 4.465 4.340 -0.001 0.000 0.224 195 L C 1.486 178.332 176.870 -0.041 0.000 1.145 195 L CA 0.592 55.388 54.840 -0.073 0.000 0.834 195 L CB -0.420 41.580 42.059 -0.098 0.000 0.944 195 L HN 0.588 nan 8.230 nan 0.000 0.451 196 G N -0.725 108.064 108.800 -0.019 0.000 2.226 196 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.176 196 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.176 196 G C -0.200 174.695 174.900 -0.008 0.000 1.042 196 G CA -0.428 44.666 45.100 -0.010 0.000 0.732 196 G HN 0.238 nan 8.290 nan 0.000 0.494 197 C N 0.170 119.468 119.300 -0.003 0.000 2.529 197 C HA 0.840 5.300 4.460 -0.001 0.000 0.329 197 C C 0.882 175.878 174.990 0.010 0.000 1.194 197 C CA -0.430 58.590 59.018 0.002 0.000 1.779 197 C CB 1.815 29.557 27.740 0.003 0.000 2.322 197 C HN 0.567 nan 8.230 nan 0.000 0.500 198 S N 1.078 116.784 115.700 0.009 0.000 2.475 198 S HA 0.553 5.022 4.470 -0.001 0.000 0.281 198 S C -0.476 174.132 174.600 0.015 0.000 1.198 198 S CA -0.383 57.824 58.200 0.011 0.000 1.063 198 S CB 0.810 64.014 63.200 0.007 0.000 0.972 198 S HN 0.493 nan 8.310 nan 0.000 0.486 199 V N 5.073 124.998 119.914 0.018 0.000 2.448 199 V HA 0.433 4.552 4.120 -0.001 0.000 0.295 199 V C -0.401 175.702 176.094 0.014 0.000 1.025 199 V CA -0.656 61.658 62.300 0.023 0.000 0.859 199 V CB 1.363 33.208 31.823 0.036 0.000 0.988 199 V HN 0.757 nan 8.190 nan 0.000 0.431 200 I N 8.086 128.661 120.570 0.008 0.000 2.291 200 I HA 0.320 4.490 4.170 -0.001 0.000 0.290 200 I C -2.107 174.003 176.117 -0.012 0.000 1.050 200 I CA -1.647 59.649 61.300 -0.007 0.000 1.245 200 I CB 1.343 39.334 38.000 -0.015 0.000 1.405 200 I HN 0.431 nan 8.210 nan 0.000 0.478 201 P HA 0.276 nan 4.420 nan 0.000 0.279 201 P C -0.899 176.346 177.300 -0.092 0.000 1.239 201 P CA -0.251 62.836 63.100 -0.021 0.000 0.789 201 P CB 1.416 33.111 31.700 -0.008 0.000 0.933 202 L N 4.609 125.762 121.223 -0.118 0.000 2.376 202 L HA 0.317 4.656 4.340 -0.001 0.000 0.275 202 L C -0.316 176.419 176.870 -0.226 0.000 0.987 202 L CA -0.922 53.700 54.840 -0.364 0.000 0.828 202 L CB 0.961 42.789 42.059 -0.386 0.000 1.249 202 L HN 0.345 nan 8.230 nan 0.000 0.409 203 Y N 1.268 121.590 120.300 0.037 0.000 3.305 203 Y HA -0.278 4.271 4.550 -0.001 0.000 0.212 203 Y C 1.245 177.165 175.900 0.033 0.000 1.248 203 Y CA 0.051 58.158 58.100 0.012 0.000 1.359 203 Y CB -2.650 35.779 38.460 -0.052 0.000 1.407 203 Y HN 0.566 nan 8.280 nan 0.000 0.572 204 C N -0.311 119.056 119.300 0.112 0.000 2.697 204 C HA 0.086 4.545 4.460 -0.001 0.000 0.267 204 C C 1.091 176.122 174.990 0.068 0.000 1.278 204 C CA -0.224 58.845 59.018 0.085 0.000 1.708 204 C CB -0.462 27.308 27.740 0.051 0.000 1.860 204 C HN 0.332 nan 8.230 nan 0.000 0.589 205 E N 1.630 121.875 120.200 0.074 0.000 2.290 205 E HA 0.158 4.507 4.350 -0.001 0.000 0.277 205 E C -0.255 176.375 176.600 0.049 0.000 1.035 205 E CA 0.109 56.539 56.400 0.049 0.000 0.873 205 E CB 0.996 30.722 29.700 0.042 0.000 1.029 205 E HN 0.119 nan 8.360 nan 0.000 0.419 206 V N 3.934 123.863 119.914 0.025 0.000 2.403 206 V HA -0.017 4.102 4.120 -0.001 0.000 0.265 206 V C 0.269 176.345 176.094 -0.030 0.000 1.034 206 V CA 0.216 62.524 62.300 0.013 0.000 1.036 206 V CB 0.049 31.870 31.823 -0.002 0.000 1.032 206 V HN 0.475 nan 8.190 nan 0.000 0.478 207 D N 4.000 124.364 120.400 -0.060 0.000 2.476 207 D HA 0.373 5.012 4.640 -0.001 0.000 0.251 207 D C 1.036 177.097 176.300 -0.399 0.000 1.291 207 D CA -0.158 53.751 54.000 -0.152 0.000 0.939 207 D CB 1.759 42.502 40.800 -0.094 0.000 1.221 207 D HN 0.447 nan 8.370 nan 0.000 0.567 208 G N 2.946 111.477 108.800 -0.449 0.000 2.586 208 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.215 208 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.215 208 G C 1.189 175.571 174.900 -0.863 0.000 1.128 208 G CA 0.100 44.749 45.100 -0.752 0.000 0.774 208 G HN 0.448 nan 8.290 nan 0.000 0.543 209 N N 0.534 118.910 118.700 -0.540 0.000 2.409 209 N HA -0.033 4.706 4.740 -0.001 0.000 0.179 209 N C 0.027 175.402 175.510 -0.225 0.000 1.032 209 N CA 0.181 53.041 53.050 -0.317 0.000 0.898 209 N CB -0.081 38.314 38.487 -0.154 0.000 0.971 209 N HN 0.232 nan 8.380 nan 0.000 0.441 210 F N -0.020 119.896 119.950 -0.056 0.000 2.797 210 F HA -0.139 4.388 4.527 -0.001 0.000 0.273 210 F C -1.339 174.394 175.800 -0.113 0.000 1.020 210 F CA -0.484 57.459 58.000 -0.094 0.000 0.961 210 F CB -1.894 37.059 39.000 -0.078 0.000 1.020 210 F HN 0.171 nan 8.300 nan 0.000 0.840 211 P HA -0.091 nan 4.420 nan 0.000 0.226 211 P C 1.036 178.293 177.300 -0.072 0.000 1.153 211 P CA 1.286 64.371 63.100 -0.025 0.000 0.777 211 P CB 0.415 32.097 31.700 -0.030 0.000 0.794 212 N N -0.221 118.368 118.700 -0.184 0.000 2.433 212 N HA 0.021 4.760 4.740 -0.001 0.000 0.213 212 N C 0.401 175.768 175.510 -0.238 0.000 1.032 212 N CA 0.767 53.607 53.050 -0.351 0.000 1.047 212 N CB -0.233 37.696 38.487 -0.930 0.000 1.293 212 N HN 0.387 nan 8.380 nan 0.000 0.524 213 H N -2.784 116.128 119.070 -0.262 0.000 2.894 213 H HA 0.447 5.003 4.556 -0.001 0.000 0.367 213 H C -0.122 175.119 175.328 -0.146 0.000 1.144 213 H CA -0.654 55.298 56.048 -0.161 0.000 1.180 213 H CB -0.548 29.124 29.762 -0.150 0.000 1.758 213 H HN 0.314 nan 8.280 nan 0.000 0.541 214 H N 1.645 120.738 119.070 0.039 0.000 3.115 214 H HA 0.168 4.723 4.556 -0.001 0.000 0.324 214 H C -2.226 173.065 175.328 -0.062 0.000 1.007 214 H CA -0.937 55.039 56.048 -0.120 0.000 1.385 214 H CB -0.406 29.305 29.762 -0.085 0.000 1.351 214 H HN 0.803 nan 8.280 nan 0.000 0.592 215 P HA 0.171 nan 4.420 nan 0.000 0.230 215 P C -1.012 176.256 177.300 -0.054 0.000 1.791 215 P CA 0.221 63.222 63.100 -0.165 0.000 1.020 215 P CB -0.099 31.383 31.700 -0.363 0.000 1.977 216 D N 2.999 123.401 120.400 0.003 0.000 2.363 216 D HA 0.167 4.806 4.640 -0.001 0.000 0.258 216 D C -1.738 174.530 176.300 -0.054 0.000 1.259 216 D CA -2.210 51.782 54.000 -0.013 0.000 0.921 216 D CB 1.352 42.168 40.800 0.027 0.000 1.201 216 D HN 0.063 nan 8.370 nan 0.000 0.524 217 P HA 0.070 nan 4.420 nan 0.000 0.242 217 P C 1.274 178.527 177.300 -0.079 0.000 1.197 217 P CA 0.213 63.260 63.100 -0.090 0.000 0.765 217 P CB 0.309 31.945 31.700 -0.107 0.000 0.936 218 G N -0.221 108.535 108.800 -0.073 0.000 2.484 218 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.218 218 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.218 218 G C 0.828 175.731 174.900 0.005 0.000 1.130 218 G CA 0.322 45.403 45.100 -0.031 0.000 0.784 218 G HN 0.523 nan 8.290 nan 0.000 0.543 219 K N 0.784 121.167 120.400 -0.027 0.000 2.185 219 K HA 0.627 4.946 4.320 -0.001 0.000 0.269 219 K C -1.667 174.913 176.600 -0.034 0.000 0.987 219 K CA -1.680 54.597 56.287 -0.016 0.000 0.865 219 K CB 1.235 33.720 32.500 -0.025 0.000 1.090 219 K HN -0.039 nan 8.250 nan 0.000 0.450 220 P HA -0.090 nan 4.420 nan 0.000 0.218 220 P C 1.534 178.795 177.300 -0.064 0.000 1.149 220 P CA 1.648 64.729 63.100 -0.032 0.000 0.817 220 P CB 0.322 32.028 31.700 0.009 0.000 0.785 221 E N 0.234 120.400 120.200 -0.056 0.000 2.204 221 E HA -0.180 4.169 4.350 -0.001 0.000 0.194 221 E C 1.626 178.148 176.600 -0.130 0.000 0.989 221 E CA 1.158 57.518 56.400 -0.066 0.000 0.824 221 E CB -1.586 28.091 29.700 -0.038 0.000 0.756 221 E HN 0.286 nan 8.360 nan 0.000 0.477 222 N N -0.428 118.161 118.700 -0.185 0.000 2.449 222 N HA 0.128 4.867 4.740 -0.001 0.000 0.191 222 N C 0.966 176.210 175.510 -0.444 0.000 1.161 222 N CA 0.358 53.167 53.050 -0.401 0.000 0.863 222 N CB 0.549 38.855 38.487 -0.301 0.000 0.980 222 N HN 0.441 nan 8.380 nan 0.000 0.458 223 L N -0.649 120.433 121.223 -0.235 0.000 2.858 223 L HA 0.172 4.511 4.340 -0.001 0.000 0.251 223 L C 2.254 179.062 176.870 -0.104 0.000 1.149 223 L CA 0.043 54.784 54.840 -0.165 0.000 0.955 223 L CB -0.017 41.954 42.059 -0.147 0.000 1.289 223 L HN -0.010 nan 8.230 nan 0.000 0.542 224 K N 0.564 120.909 120.400 -0.091 0.000 2.001 224 K HA -0.241 4.078 4.320 -0.001 0.000 0.214 224 K C 1.554 178.153 176.600 -0.001 0.000 1.050 224 K CA 2.347 58.611 56.287 -0.038 0.000 0.934 224 K CB -0.901 31.585 32.500 -0.024 0.000 0.718 224 K HN 0.224 nan 8.250 nan 0.000 0.443 225 D N 0.180 120.606 120.400 0.044 0.000 2.123 225 D HA -0.124 4.516 4.640 -0.001 0.000 0.196 225 D C 1.928 178.263 176.300 0.059 0.000 0.992 225 D CA 1.420 55.487 54.000 0.112 0.000 0.833 225 D CB -0.362 40.627 40.800 0.315 0.000 0.954 225 D HN 0.295 nan 8.370 nan 0.000 0.455 226 L N 0.680 121.927 121.223 0.039 0.000 2.017 226 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 226 L C 2.179 179.035 176.870 -0.023 0.000 1.073 226 L CA 1.296 56.137 54.840 0.002 0.000 0.745 226 L CB -0.439 41.612 42.059 -0.015 0.000 0.894 226 L HN -0.023 nan 8.230 nan 0.000 0.432 227 I N -0.387 120.162 120.570 -0.034 0.000 2.163 227 I HA -0.337 3.832 4.170 -0.001 0.000 0.243 227 I C 2.601 178.703 176.117 -0.024 0.000 1.085 227 I CA 1.372 62.648 61.300 -0.040 0.000 1.347 227 I CB -0.661 37.309 38.000 -0.050 0.000 1.044 227 I HN 0.376 nan 8.210 nan 0.000 0.408 228 A N 0.458 123.271 122.820 -0.012 0.000 1.902 228 A HA -0.272 4.047 4.320 -0.001 0.000 0.217 228 A C 2.266 179.846 177.584 -0.007 0.000 1.181 228 A CA 2.066 54.100 52.037 -0.005 0.000 0.623 228 A CB -0.466 18.538 19.000 0.007 0.000 0.818 228 A HN 0.263 nan 8.150 nan 0.000 0.443 229 K N -0.099 120.295 120.400 -0.009 0.000 2.097 229 K HA -0.038 4.281 4.320 -0.001 0.000 0.205 229 K C 1.683 178.273 176.600 -0.016 0.000 1.050 229 K CA 1.677 57.954 56.287 -0.016 0.000 0.938 229 K CB -0.676 31.807 32.500 -0.029 0.000 0.718 229 K HN 0.198 nan 8.250 nan 0.000 0.442 230 V N 1.238 121.142 119.914 -0.018 0.000 2.255 230 V HA -0.285 3.834 4.120 -0.001 0.000 0.247 230 V C 2.169 178.256 176.094 -0.011 0.000 1.051 230 V CA 2.183 64.473 62.300 -0.016 0.000 1.018 230 V CB -0.436 31.373 31.823 -0.023 0.000 0.641 230 V HN 0.346 nan 8.190 nan 0.000 0.445 231 K N 0.302 120.695 120.400 -0.011 0.000 2.026 231 K HA -0.135 4.184 4.320 -0.001 0.000 0.208 231 K C 2.294 178.891 176.600 -0.005 0.000 1.048 231 K CA 1.554 57.836 56.287 -0.007 0.000 0.929 231 K CB -0.494 32.001 32.500 -0.008 0.000 0.713 231 K HN 0.466 nan 8.250 nan 0.000 0.439 232 A N 1.323 124.139 122.820 -0.006 0.000 1.972 232 A HA -0.148 4.171 4.320 -0.001 0.000 0.219 232 A C 1.573 179.154 177.584 -0.004 0.000 1.169 232 A CA 1.434 53.469 52.037 -0.004 0.000 0.635 232 A CB -0.068 18.929 19.000 -0.004 0.000 0.810 232 A HN 0.161 nan 8.150 nan 0.000 0.446 233 E N -0.686 119.510 120.200 -0.006 0.000 2.501 233 E HA 0.066 4.416 4.350 -0.001 0.000 0.201 233 E C -0.482 176.116 176.600 -0.003 0.000 1.016 233 E CA -0.180 56.217 56.400 -0.005 0.000 0.920 233 E CB -0.382 29.313 29.700 -0.008 0.000 1.023 233 E HN 0.714 nan 8.360 nan 0.000 0.474 234 N N 0.960 119.659 118.700 -0.002 0.000 2.716 234 N HA -0.225 4.515 4.740 -0.001 0.000 0.250 234 N C -0.236 175.275 175.510 0.001 0.000 1.033 234 N CA 0.338 53.388 53.050 0.001 0.000 0.727 234 N CB -0.682 37.806 38.487 0.001 0.000 0.950 234 N HN 0.196 nan 8.380 nan 0.000 0.541 235 A N -0.010 122.809 122.820 -0.000 0.000 2.407 235 A HA 0.137 4.456 4.320 -0.001 0.000 0.248 235 A C 1.082 178.669 177.584 0.005 0.000 1.082 235 A CA -0.163 51.874 52.037 0.001 0.000 0.785 235 A CB 0.430 19.428 19.000 -0.003 0.000 1.020 235 A HN 0.287 nan 8.150 nan 0.000 0.489 236 D N -0.438 119.967 120.400 0.008 0.000 2.277 236 D HA 0.135 4.775 4.640 -0.001 0.000 0.208 236 D C -0.017 176.295 176.300 0.020 0.000 0.962 236 D CA 1.178 55.187 54.000 0.015 0.000 0.865 236 D CB 0.025 40.833 40.800 0.013 0.000 0.939 236 D HN 0.311 nan 8.370 nan 0.000 0.510 237 L N -1.057 120.172 121.223 0.010 0.000 2.653 237 L HA 0.526 4.865 4.340 -0.001 0.000 0.257 237 L C -1.254 175.608 176.870 -0.013 0.000 0.969 237 L CA -0.583 54.260 54.840 0.005 0.000 0.869 237 L CB 2.202 44.272 42.059 0.018 0.000 1.439 237 L HN -0.103 nan 8.230 nan 0.000 0.414 238 G N 2.849 111.627 108.800 -0.037 0.000 2.495 238 G HA2 0.717 4.677 3.960 -0.001 0.000 0.318 238 G HA3 0.717 4.677 3.960 -0.001 0.000 0.318 238 G C -1.903 172.943 174.900 -0.090 0.000 1.257 238 G CA -0.518 44.550 45.100 -0.052 0.000 0.962 238 G HN 0.577 nan 8.290 nan 0.000 0.483 239 L N 0.947 122.112 121.223 -0.096 0.000 2.408 239 L HA 0.780 5.119 4.340 -0.001 0.000 0.268 239 L C 0.089 176.818 176.870 -0.236 0.000 0.986 239 L CA -0.998 53.717 54.840 -0.208 0.000 0.820 239 L CB 2.392 44.330 42.059 -0.202 0.000 1.303 239 L HN 0.679 nan 8.230 nan 0.000 0.411 240 A N 2.394 124.992 122.820 -0.370 0.000 2.374 240 A HA 0.907 5.227 4.320 -0.001 0.000 0.317 240 A C -1.465 175.817 177.584 -0.504 0.000 1.094 240 A CA -0.321 51.560 52.037 -0.260 0.000 0.765 240 A CB 1.117 20.038 19.000 -0.131 0.000 1.268 240 A HN 0.469 nan 8.150 nan 0.000 0.438 241 F N 1.188 121.160 119.950 0.036 0.000 2.546 241 F HA 0.406 4.932 4.527 -0.001 0.000 0.320 241 F C 0.456 176.263 175.800 0.012 0.000 1.076 241 F CA -0.607 57.404 58.000 0.018 0.000 0.928 241 F CB 1.901 40.919 39.000 0.031 0.000 1.189 241 F HN 0.732 nan 8.300 nan 0.000 0.465 242 D N 0.820 121.314 120.400 0.158 0.000 2.411 242 D HA 0.177 4.816 4.640 -0.001 0.000 0.251 242 D C 1.373 177.719 176.300 0.076 0.000 1.201 242 D CA -0.112 53.933 54.000 0.075 0.000 0.996 242 D CB 0.755 41.571 40.800 0.026 0.000 1.101 242 D HN 0.624 nan 8.370 nan 0.000 0.504 243 G N 0.552 109.358 108.800 0.009 0.000 2.624 243 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.221 243 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.221 243 G C 0.918 175.853 174.900 0.057 0.000 1.169 243 G CA 1.736 46.843 45.100 0.011 0.000 0.771 243 G HN 0.775 nan 8.290 nan 0.000 0.598 244 D N -1.066 119.355 120.400 0.033 0.000 2.369 244 D HA 0.248 4.887 4.640 -0.001 0.000 0.211 244 D C 1.634 177.921 176.300 -0.022 0.000 1.077 244 D CA 0.792 54.790 54.000 -0.004 0.000 0.842 244 D CB -0.415 40.368 40.800 -0.028 0.000 0.947 244 D HN 0.798 nan 8.370 nan 0.000 0.509 245 G N 2.074 110.892 108.800 0.030 0.000 2.143 245 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.249 245 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.249 245 G C 0.447 175.401 174.900 0.091 0.000 0.981 245 G CA 0.473 45.614 45.100 0.067 0.000 0.665 245 G HN 0.510 nan 8.290 nan 0.000 0.528 246 D N -0.611 119.801 120.400 0.019 0.000 2.339 246 D HA 0.123 4.763 4.640 -0.001 0.000 0.217 246 D C 1.037 177.201 176.300 -0.228 0.000 1.050 246 D CA 0.159 54.150 54.000 -0.017 0.000 0.856 246 D CB 0.206 41.030 40.800 0.040 0.000 0.922 246 D HN 0.517 nan 8.370 nan 0.000 0.518 247 R N 0.059 120.450 120.500 -0.182 0.000 2.670 247 R HA 0.647 4.986 4.340 -0.001 0.000 0.289 247 R C -1.391 174.875 176.300 -0.057 0.000 0.965 247 R CA -0.967 54.997 56.100 -0.227 0.000 0.899 247 R CB 3.107 33.242 30.300 -0.275 0.000 1.173 247 R HN -0.033 nan 8.270 nan 0.000 0.456 248 V N 1.246 121.102 119.914 -0.097 0.000 2.656 248 V HA 0.749 4.869 4.120 -0.001 0.000 0.307 248 V C -0.458 175.512 176.094 -0.206 0.000 1.051 248 V CA -0.419 61.753 62.300 -0.213 0.000 0.893 248 V CB 2.045 33.764 31.823 -0.174 0.000 0.999 248 V HN 0.906 nan 8.190 nan 0.000 0.426 249 G N 4.438 113.065 108.800 -0.287 0.000 2.416 249 G HA2 0.646 4.605 3.960 -0.001 0.000 0.329 249 G HA3 0.646 4.605 3.960 -0.001 0.000 0.329 249 G C -1.484 173.253 174.900 -0.272 0.000 1.173 249 G CA -0.505 44.450 45.100 -0.242 0.000 0.929 249 G HN 0.816 nan 8.290 nan 0.000 0.475 250 V N 1.508 121.257 119.914 -0.274 0.000 2.588 250 V HA 0.618 4.738 4.120 -0.001 0.000 0.304 250 V C -0.458 175.462 176.094 -0.291 0.000 1.042 250 V CA -0.698 61.440 62.300 -0.270 0.000 0.877 250 V CB 1.773 33.415 31.823 -0.302 0.000 0.996 250 V HN 0.569 nan 8.190 nan 0.000 0.425 251 V N 3.150 122.935 119.914 -0.214 0.000 2.735 251 V HA 0.606 4.725 4.120 -0.001 0.000 0.310 251 V C 0.371 176.395 176.094 -0.118 0.000 1.061 251 V CA -0.379 61.812 62.300 -0.183 0.000 0.913 251 V CB 2.725 34.462 31.823 -0.143 0.000 1.005 251 V HN 1.063 nan 8.190 nan 0.000 0.428 252 T N 0.436 114.932 114.554 -0.097 0.000 2.824 252 T HA 0.168 4.518 4.350 -0.001 0.000 0.277 252 T C 1.277 175.970 174.700 -0.011 0.000 0.975 252 T CA -0.065 62.023 62.100 -0.021 0.000 0.966 252 T CB 0.522 69.391 68.868 0.002 0.000 1.054 252 T HN 0.747 nan 8.240 nan 0.000 0.533 253 N N 0.334 119.045 118.700 0.018 0.000 2.364 253 N HA -0.145 4.595 4.740 -0.001 0.000 0.183 253 N C 1.446 176.959 175.510 0.004 0.000 1.022 253 N CA 1.692 54.751 53.050 0.014 0.000 0.883 253 N CB -0.948 37.557 38.487 0.031 0.000 0.965 253 N HN 0.840 nan 8.380 nan 0.000 0.438 254 T N -5.120 109.433 114.554 -0.002 0.000 3.105 254 T HA 0.460 4.809 4.350 -0.001 0.000 0.253 254 T C 1.194 175.877 174.700 -0.028 0.000 1.047 254 T CA 0.241 62.335 62.100 -0.011 0.000 0.944 254 T CB -0.044 68.819 68.868 -0.009 0.000 1.016 254 T HN 0.398 nan 8.240 nan 0.000 0.544 255 G N 1.110 109.886 108.800 -0.040 0.000 2.141 255 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.231 255 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.231 255 G C 0.056 174.907 174.900 -0.082 0.000 0.984 255 G CA -0.103 44.963 45.100 -0.057 0.000 0.660 255 G HN 0.691 nan 8.290 nan 0.000 0.525 256 T N 1.685 116.185 114.554 -0.089 0.000 2.814 256 T HA 0.484 4.834 4.350 -0.001 0.000 0.297 256 T C 1.055 175.636 174.700 -0.198 0.000 0.956 256 T CA -0.025 62.004 62.100 -0.120 0.000 1.123 256 T CB 1.176 69.986 68.868 -0.096 0.000 0.902 256 T HN 0.320 nan 8.240 nan 0.000 0.528 257 I N 4.352 124.768 120.570 -0.256 0.000 2.517 257 I HA 0.096 4.265 4.170 -0.001 0.000 0.285 257 I C 0.142 175.934 176.117 -0.541 0.000 1.106 257 I CA -0.281 60.763 61.300 -0.428 0.000 1.402 257 I CB 0.328 38.001 38.000 -0.545 0.000 1.399 257 I HN 0.372 nan 8.210 nan 0.000 0.535 258 I N 8.081 128.319 120.570 -0.554 0.000 2.307 258 I HA 0.178 4.347 4.170 -0.001 0.000 0.287 258 I C 0.040 175.857 176.117 -0.499 0.000 1.054 258 I CA -0.607 60.346 61.300 -0.579 0.000 1.218 258 I CB -0.242 37.226 38.000 -0.887 0.000 1.398 258 I HN 0.342 nan 8.210 nan 0.000 0.475 259 Y N 8.127 128.299 120.300 -0.214 0.000 2.578 259 Y HA 0.091 4.640 4.550 -0.001 0.000 0.339 259 Y C -1.035 174.779 175.900 -0.142 0.000 1.231 259 Y CA -1.144 56.869 58.100 -0.145 0.000 1.461 259 Y CB -0.073 38.333 38.460 -0.090 0.000 1.323 259 Y HN 0.438 nan 8.280 nan 0.000 0.590 260 P HA -0.142 nan 4.420 nan 0.000 0.225 260 P C 0.711 178.033 177.300 0.037 0.000 1.148 260 P CA 1.615 64.741 63.100 0.044 0.000 0.779 260 P CB 0.206 31.961 31.700 0.092 0.000 0.780 261 D N -0.557 119.871 120.400 0.046 0.000 2.183 261 D HA -0.132 4.507 4.640 -0.001 0.000 0.203 261 D C 1.740 178.002 176.300 -0.063 0.000 0.969 261 D CA 1.082 55.083 54.000 0.001 0.000 0.842 261 D CB -0.776 40.027 40.800 0.005 0.000 0.957 261 D HN 0.167 nan 8.370 nan 0.000 0.484 262 R N -0.502 119.961 120.500 -0.061 0.000 2.127 262 R HA 0.126 4.466 4.340 -0.001 0.000 0.217 262 R C 2.237 178.443 176.300 -0.156 0.000 1.074 262 R CA 0.183 56.214 56.100 -0.115 0.000 0.991 262 R CB -0.320 29.949 30.300 -0.052 0.000 0.895 262 R HN 0.128 nan 8.270 nan 0.000 0.450 263 L N 1.264 122.378 121.223 -0.182 0.000 2.012 263 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 263 L C 1.938 178.631 176.870 -0.294 0.000 1.073 263 L CA 1.611 56.312 54.840 -0.231 0.000 0.748 263 L CB -0.571 41.342 42.059 -0.243 0.000 0.891 263 L HN 0.105 nan 8.230 nan 0.000 0.431 264 L N -0.969 120.188 121.223 -0.111 0.000 2.265 264 L HA -0.179 4.160 4.340 -0.001 0.000 0.215 264 L C 2.300 179.126 176.870 -0.073 0.000 1.117 264 L CA 1.650 56.493 54.840 0.005 0.000 0.782 264 L CB -0.440 41.654 42.059 0.058 0.000 0.914 264 L HN 0.356 nan 8.230 nan 0.000 0.441 265 M N -2.013 117.453 119.600 -0.223 0.000 2.132 265 M HA -0.208 4.271 4.480 -0.001 0.000 0.263 265 M C 2.094 178.178 176.300 -0.359 0.000 1.065 265 M CA 1.589 56.680 55.300 -0.348 0.000 1.122 265 M CB -0.447 31.749 32.600 -0.673 0.000 1.365 265 M HN 0.320 nan 8.290 nan 0.000 0.411 266 L N -0.183 120.789 121.223 -0.419 0.000 2.056 266 L HA -0.118 4.221 4.340 -0.001 0.000 0.207 266 L C 1.994 178.850 176.870 -0.023 0.000 1.078 266 L CA 1.815 56.519 54.840 -0.227 0.000 0.749 266 L CB -0.526 41.369 42.059 -0.275 0.000 0.901 266 L HN 0.071 nan 8.230 nan 0.000 0.433 267 F N 0.044 120.011 119.950 0.029 0.000 2.146 267 F HA -0.078 4.448 4.527 -0.001 0.000 0.298 267 F C 2.570 178.393 175.800 0.038 0.000 1.096 267 F CA 0.799 58.851 58.000 0.087 0.000 1.275 267 F CB -1.645 37.417 39.000 0.103 0.000 1.008 267 F HN 0.195 nan 8.300 nan 0.000 0.480 268 A N 0.051 122.979 122.820 0.181 0.000 1.877 268 A HA -0.250 4.069 4.320 -0.001 0.000 0.216 268 A C 2.342 179.947 177.584 0.034 0.000 1.186 268 A CA 1.928 54.030 52.037 0.109 0.000 0.620 268 A CB -0.877 18.181 19.000 0.097 0.000 0.822 268 A HN 0.335 nan 8.150 nan 0.000 0.443 269 K N -0.274 120.093 120.400 -0.056 0.000 2.059 269 K HA -0.300 4.019 4.320 -0.001 0.000 0.212 269 K C 1.786 178.243 176.600 -0.239 0.000 1.050 269 K CA 2.290 58.334 56.287 -0.404 0.000 0.927 269 K CB -0.315 31.988 32.500 -0.328 0.000 0.714 269 K HN 0.519 nan 8.250 nan 0.000 0.447 270 D N -0.303 120.073 120.400 -0.040 0.000 2.077 270 D HA -0.136 4.504 4.640 -0.001 0.000 0.196 270 D C 1.895 178.214 176.300 0.032 0.000 0.986 270 D CA 1.568 55.579 54.000 0.018 0.000 0.829 270 D CB -0.013 40.864 40.800 0.130 0.000 0.983 270 D HN 0.060 nan 8.370 nan 0.000 0.453 271 V N 0.104 120.074 119.914 0.094 0.000 2.287 271 V HA -0.216 3.904 4.120 -0.001 0.000 0.248 271 V C 2.615 178.737 176.094 0.047 0.000 1.053 271 V CA 1.533 63.890 62.300 0.095 0.000 1.027 271 V CB -0.389 31.517 31.823 0.139 0.000 0.646 271 V HN 0.209 nan 8.190 nan 0.000 0.447 272 V N 0.948 120.877 119.914 0.025 0.000 2.626 272 V HA -0.190 3.930 4.120 -0.001 0.000 0.252 272 V C 2.605 178.699 176.094 -0.000 0.000 1.067 272 V CA 1.924 64.239 62.300 0.024 0.000 1.081 272 V CB -0.787 31.070 31.823 0.057 0.000 0.686 272 V HN 0.772 nan 8.190 nan 0.000 0.468 273 S N 0.671 116.343 115.700 -0.047 0.000 2.423 273 S HA -0.161 4.309 4.470 -0.001 0.000 0.231 273 S C 1.936 176.530 174.600 -0.011 0.000 1.014 273 S CA 1.076 59.250 58.200 -0.043 0.000 0.965 273 S CB -0.340 62.811 63.200 -0.081 0.000 0.785 273 S HN 0.636 nan 8.310 nan 0.000 0.495 274 R N 1.156 121.655 120.500 -0.001 0.000 2.290 274 R HA 0.301 4.640 4.340 -0.001 0.000 0.197 274 R C -0.240 176.068 176.300 0.013 0.000 0.913 274 R CA 0.152 56.255 56.100 0.006 0.000 1.040 274 R CB 0.144 30.448 30.300 0.007 0.000 0.992 274 R HN 0.403 nan 8.270 nan 0.000 0.500 275 N N 1.410 120.122 118.700 0.020 0.000 2.727 275 N HA 0.216 4.955 4.740 -0.001 0.000 0.252 275 N C -2.884 172.643 175.510 0.029 0.000 1.283 275 N CA -1.286 51.779 53.050 0.024 0.000 0.782 275 N CB 1.966 40.471 38.487 0.030 0.000 1.199 275 N HN -0.139 nan 8.380 nan 0.000 0.520 276 P HA 0.067 nan 4.420 nan 0.000 0.264 276 P C 1.062 178.382 177.300 0.033 0.000 1.193 276 P CA 0.873 63.994 63.100 0.035 0.000 0.763 276 P CB 0.526 32.244 31.700 0.029 0.000 0.810 277 G N 2.073 110.898 108.800 0.041 0.000 2.179 277 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.260 277 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.260 277 G C 0.474 175.392 174.900 0.030 0.000 0.977 277 G CA -0.044 45.076 45.100 0.033 0.000 0.641 277 G HN 0.855 nan 8.290 nan 0.000 0.533 278 A N 0.168 123.009 122.820 0.035 0.000 2.565 278 A HA 0.431 4.751 4.320 -0.001 0.000 0.237 278 A C 0.351 177.953 177.584 0.031 0.000 1.053 278 A CA 0.884 52.940 52.037 0.030 0.000 0.755 278 A CB 0.147 19.171 19.000 0.039 0.000 0.980 278 A HN 0.386 nan 8.150 nan 0.000 0.506 279 D N 1.155 121.562 120.400 0.011 0.000 2.390 279 D HA 0.427 5.066 4.640 -0.001 0.000 0.249 279 D C -0.099 176.209 176.300 0.015 0.000 1.144 279 D CA 0.575 54.576 54.000 0.002 0.000 0.880 279 D CB 0.542 41.321 40.800 -0.035 0.000 1.182 279 D HN 0.255 nan 8.370 nan 0.000 0.451 280 I N 3.448 124.044 120.570 0.044 0.000 2.447 280 I HA 0.347 4.516 4.170 -0.001 0.000 0.287 280 I C -0.074 176.104 176.117 0.102 0.000 1.023 280 I CA -0.566 60.781 61.300 0.078 0.000 1.083 280 I CB 1.206 39.279 38.000 0.121 0.000 1.245 280 I HN 0.260 nan 8.210 nan 0.000 0.434 281 I N 7.010 127.605 120.570 0.042 0.000 2.392 281 I HA 0.450 4.620 4.170 -0.001 0.000 0.295 281 I C -0.542 175.634 176.117 0.099 0.000 0.985 281 I CA -0.621 60.654 61.300 -0.042 0.000 1.221 281 I CB 1.231 39.142 38.000 -0.149 0.000 1.366 281 I HN 0.407 nan 8.210 nan 0.000 0.467 282 F N 3.037 122.977 119.950 -0.017 0.000 2.599 282 F HA 0.613 5.139 4.527 -0.001 0.000 0.311 282 F C -0.471 175.322 175.800 -0.011 0.000 1.076 282 F CA -1.359 56.634 58.000 -0.012 0.000 0.937 282 F CB 0.650 39.629 39.000 -0.034 0.000 1.282 282 F HN 0.442 nan 8.300 nan 0.000 0.460 283 D N 0.852 121.312 120.400 0.101 0.000 2.411 283 D HA 0.129 4.769 4.640 -0.001 0.000 0.251 283 D C 1.202 177.496 176.300 -0.011 0.000 1.201 283 D CA -0.198 53.796 54.000 -0.011 0.000 0.996 283 D CB 1.537 42.340 40.800 0.005 0.000 1.101 283 D HN 0.661 nan 8.370 nan 0.000 0.504 284 V N -2.084 117.776 119.914 -0.090 0.000 3.241 284 V HA -0.071 4.048 4.120 -0.001 0.000 0.269 284 V C 1.809 177.843 176.094 -0.100 0.000 1.151 284 V CA 1.038 63.264 62.300 -0.123 0.000 1.158 284 V CB -1.118 30.624 31.823 -0.135 0.000 0.764 284 V HN 0.413 nan 8.190 nan 0.000 0.508 285 K N -0.470 119.928 120.400 -0.004 0.000 2.459 285 K HA 0.218 4.538 4.320 -0.001 0.000 0.193 285 K C 0.668 177.346 176.600 0.129 0.000 1.030 285 K CA 0.132 56.476 56.287 0.094 0.000 1.026 285 K CB -0.070 32.474 32.500 0.072 0.000 0.809 285 K HN 0.547 nan 8.250 nan 0.000 0.504 286 C N 0.883 120.183 119.300 0.001 0.000 2.466 286 C HA 0.146 4.605 4.460 -0.001 0.000 0.379 286 C C 0.997 175.868 174.990 -0.199 0.000 1.251 286 C CA -0.995 58.016 59.018 -0.013 0.000 2.263 286 C CB 0.835 28.601 27.740 0.043 0.000 2.511 286 C HN 0.346 nan 8.230 nan 0.000 0.573 287 T N 1.857 116.413 114.554 0.005 0.000 2.939 287 T HA -0.020 4.330 4.350 -0.001 0.000 0.312 287 T C 1.583 176.108 174.700 -0.291 0.000 1.064 287 T CA 0.192 62.336 62.100 0.072 0.000 1.136 287 T CB 0.287 69.225 68.868 0.118 0.000 1.035 287 T HN 0.851 nan 8.240 nan 0.000 0.538 288 R N 4.271 124.580 120.500 -0.319 0.000 2.241 288 R HA -0.044 4.295 4.340 -0.001 0.000 0.224 288 R C 1.849 178.037 176.300 -0.186 0.000 1.101 288 R CA 0.792 56.700 56.100 -0.319 0.000 0.995 288 R CB -0.109 30.093 30.300 -0.164 0.000 0.870 288 R HN 0.512 nan 8.270 nan 0.000 0.463 289 R N 0.978 121.417 120.500 -0.102 0.000 2.189 289 R HA 0.002 4.341 4.340 -0.001 0.000 0.223 289 R C 2.169 178.372 176.300 -0.162 0.000 1.092 289 R CA 0.702 56.755 56.100 -0.078 0.000 0.989 289 R CB -0.436 29.859 30.300 -0.008 0.000 0.876 289 R HN 0.351 nan 8.270 nan 0.000 0.457 290 L N 0.448 121.486 121.223 -0.310 0.000 2.046 290 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 290 L C 2.320 178.950 176.870 -0.399 0.000 1.077 290 L CA 1.218 55.799 54.840 -0.431 0.000 0.747 290 L CB -0.355 41.239 42.059 -0.775 0.000 0.896 290 L HN 0.082 nan 8.230 nan 0.000 0.432 291 I N -0.370 119.942 120.570 -0.431 0.000 2.151 291 I HA -0.350 3.819 4.170 -0.001 0.000 0.243 291 I C 2.763 178.828 176.117 -0.086 0.000 1.080 291 I CA 1.418 62.614 61.300 -0.173 0.000 1.339 291 I CB -0.697 37.268 38.000 -0.059 0.000 1.039 291 I HN 0.231 nan 8.210 nan 0.000 0.409 292 A N 0.932 123.696 122.820 -0.094 0.000 1.855 292 A HA -0.179 4.140 4.320 -0.001 0.000 0.215 292 A C 2.387 179.919 177.584 -0.085 0.000 1.191 292 A CA 1.501 53.498 52.037 -0.066 0.000 0.613 292 A CB -0.942 18.027 19.000 -0.051 0.000 0.829 292 A HN 0.430 nan 8.150 nan 0.000 0.442 293 L N -0.242 120.927 121.223 -0.090 0.000 2.012 293 L HA -0.195 4.144 4.340 -0.001 0.000 0.210 293 L C 2.373 179.220 176.870 -0.039 0.000 1.073 293 L CA 1.791 56.576 54.840 -0.092 0.000 0.748 293 L CB -0.270 41.782 42.059 -0.011 0.000 0.891 293 L HN 0.469 nan 8.230 nan 0.000 0.431 294 I N -1.148 119.428 120.570 0.010 0.000 2.179 294 I HA -0.293 3.877 4.170 -0.001 0.000 0.242 294 I C 2.483 178.642 176.117 0.071 0.000 1.088 294 I CA 1.391 62.745 61.300 0.089 0.000 1.357 294 I CB -0.421 37.625 38.000 0.077 0.000 1.051 294 I HN 0.187 nan 8.210 nan 0.000 0.409 295 S N 0.841 116.551 115.700 0.017 0.000 2.382 295 S HA -0.127 4.342 4.470 -0.001 0.000 0.228 295 S C 2.172 176.758 174.600 -0.023 0.000 1.027 295 S CA 1.329 59.534 58.200 0.009 0.000 0.991 295 S CB -0.797 62.401 63.200 -0.002 0.000 0.823 295 S HN 0.652 nan 8.310 nan 0.000 0.469 296 G N 0.006 108.743 108.800 -0.105 0.000 2.450 296 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.220 296 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.220 296 G C 0.830 175.607 174.900 -0.205 0.000 1.130 296 G CA 0.682 45.656 45.100 -0.209 0.000 0.760 296 G HN 0.541 nan 8.290 nan 0.000 0.557 297 Y N 0.292 120.611 120.300 0.032 0.000 2.466 297 Y HA 0.359 4.908 4.550 -0.001 0.000 0.272 297 Y C 2.041 177.959 175.900 0.029 0.000 1.169 297 Y CA -0.538 57.583 58.100 0.035 0.000 1.285 297 Y CB 0.068 38.555 38.460 0.044 0.000 1.078 297 Y HN 0.287 nan 8.280 nan 0.000 0.523 298 G N -0.225 108.654 108.800 0.132 0.000 2.136 298 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.242 298 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.242 298 G C 0.685 175.638 174.900 0.087 0.000 0.989 298 G CA -0.033 45.121 45.100 0.090 0.000 0.682 298 G HN 0.733 nan 8.290 nan 0.000 0.522 299 G N -0.984 107.881 108.800 0.108 0.000 2.528 299 G HA2 0.580 4.539 3.960 -0.001 0.000 0.289 299 G HA3 0.580 4.539 3.960 -0.001 0.000 0.289 299 G C -0.020 174.922 174.900 0.069 0.000 1.192 299 G CA -0.445 44.710 45.100 0.092 0.000 0.921 299 G HN 0.521 nan 8.290 nan 0.000 0.512 300 R N 1.175 121.711 120.500 0.060 0.000 2.275 300 R HA 0.357 4.697 4.340 -0.001 0.000 0.326 300 R C -2.483 173.859 176.300 0.071 0.000 0.973 300 R CA -1.748 54.380 56.100 0.047 0.000 0.854 300 R CB 1.776 32.087 30.300 0.019 0.000 1.156 300 R HN 0.300 nan 8.270 nan 0.000 0.487 301 P HA 0.088 nan 4.420 nan 0.000 0.287 301 P C -0.836 176.533 177.300 0.116 0.000 1.294 301 P CA -0.230 63.012 63.100 0.237 0.000 0.776 301 P CB 1.544 33.431 31.700 0.311 0.000 0.889 302 V N 5.546 125.442 119.914 -0.030 0.000 2.326 302 V HA 0.297 4.416 4.120 -0.001 0.000 0.281 302 V C 0.666 176.395 176.094 -0.608 0.000 1.015 302 V CA -0.652 61.513 62.300 -0.227 0.000 0.823 302 V CB 1.204 32.911 31.823 -0.193 0.000 1.009 302 V HN 0.608 nan 8.190 nan 0.000 0.436 303 M N 5.767 124.965 119.600 -0.670 0.000 2.200 303 M HA 0.345 4.824 4.480 -0.001 0.000 0.355 303 M C -0.816 175.359 176.300 -0.209 0.000 1.283 303 M CA 0.296 55.089 55.300 -0.845 0.000 1.124 303 M CB 0.832 33.119 32.600 -0.521 0.000 1.625 303 M HN 0.819 nan 8.290 nan 0.000 0.463 304 W N 4.152 125.168 121.300 -0.474 0.000 3.098 304 W HA 0.388 5.047 4.660 -0.002 0.000 0.367 304 W C -0.961 175.439 176.519 -0.198 0.000 1.163 304 W CA -0.918 56.257 57.345 -0.284 0.000 1.113 304 W CB 1.572 30.874 29.460 -0.263 0.000 1.501 304 W HN 0.482 nan 8.180 nan 0.000 0.598 305 K N 1.458 121.253 120.400 -1.008 0.000 2.414 305 K HA 0.146 4.465 4.320 -0.001 0.000 0.272 305 K C 0.170 176.603 176.600 -0.279 0.000 0.993 305 K CA 0.358 56.248 56.287 -0.663 0.000 0.964 305 K CB 0.544 32.550 32.500 -0.824 0.000 0.925 305 K HN 0.131 nan 8.250 nan 0.000 0.487 306 T N 1.553 116.015 114.554 -0.154 0.000 2.930 306 T HA 0.355 4.704 4.350 -0.001 0.000 0.306 306 T C 0.279 174.865 174.700 -0.190 0.000 1.045 306 T CA 0.518 62.567 62.100 -0.086 0.000 1.134 306 T CB 0.642 69.516 68.868 0.010 0.000 0.961 306 T HN 0.789 nan 8.240 nan 0.000 0.545 307 G N 1.941 110.498 108.800 -0.404 0.000 3.187 307 G HA2 -0.023 3.936 3.960 -0.001 0.000 0.682 307 G HA3 -0.023 3.936 3.960 -0.001 0.000 0.682 307 G C 0.113 174.677 174.900 -0.561 0.000 1.266 307 G CA 0.026 44.479 45.100 -1.079 0.000 0.902 307 G HN 1.050 nan 8.290 nan 0.000 0.589 308 H N 0.766 119.557 119.070 -0.464 0.000 2.319 308 H HA -0.098 4.457 4.556 -0.001 0.000 0.297 308 H C 2.503 177.867 175.328 0.060 0.000 1.097 308 H CA 2.625 58.654 56.048 -0.032 0.000 1.285 308 H CB -0.129 29.591 29.762 -0.069 0.000 1.368 308 H HN 0.436 nan 8.280 nan 0.000 0.495 309 S N 0.987 116.302 115.700 -0.643 0.000 2.383 309 S HA -0.064 4.405 4.470 -0.001 0.000 0.227 309 S C 2.193 176.746 174.600 -0.079 0.000 1.026 309 S CA 1.327 59.360 58.200 -0.278 0.000 0.981 309 S CB -0.304 62.747 63.200 -0.247 0.000 0.818 309 S HN 0.352 nan 8.310 nan 0.000 0.472 310 L N 1.062 122.254 121.223 -0.050 0.000 2.093 310 L HA -0.054 4.285 4.340 -0.001 0.000 0.208 310 L C 2.246 179.200 176.870 0.139 0.000 1.085 310 L CA 0.743 55.649 54.840 0.110 0.000 0.755 310 L CB -0.639 41.495 42.059 0.125 0.000 0.904 310 L HN 0.272 nan 8.230 nan 0.000 0.435 311 I N 0.343 120.898 120.570 -0.025 0.000 2.179 311 I HA -0.253 3.916 4.170 -0.001 0.000 0.242 311 I C 2.455 178.395 176.117 -0.294 0.000 1.088 311 I CA 1.608 62.779 61.300 -0.214 0.000 1.357 311 I CB -0.890 36.745 38.000 -0.609 0.000 1.051 311 I HN 0.282 nan 8.210 nan 0.000 0.409 312 K N 0.869 121.156 120.400 -0.187 0.000 2.097 312 K HA -0.158 4.161 4.320 -0.001 0.000 0.206 312 K C 2.129 178.688 176.600 -0.067 0.000 1.049 312 K CA 1.200 57.447 56.287 -0.067 0.000 0.933 312 K CB -0.052 32.497 32.500 0.082 0.000 0.717 312 K HN 0.274 nan 8.250 nan 0.000 0.442 313 K N 0.769 121.135 120.400 -0.057 0.000 2.057 313 K HA -0.180 4.139 4.320 -0.001 0.000 0.207 313 K C 2.100 178.608 176.600 -0.154 0.000 1.049 313 K CA 1.247 57.495 56.287 -0.065 0.000 0.931 313 K CB -0.048 32.443 32.500 -0.015 0.000 0.714 313 K HN -0.110 nan 8.250 nan 0.000 0.440 314 K N 1.150 121.406 120.400 -0.240 0.000 2.097 314 K HA -0.038 4.281 4.320 -0.001 0.000 0.206 314 K C 1.884 178.288 176.600 -0.327 0.000 1.049 314 K CA 1.376 57.386 56.287 -0.462 0.000 0.933 314 K CB -0.032 32.010 32.500 -0.763 0.000 0.717 314 K HN 0.077 nan 8.250 nan 0.000 0.442 315 M N -0.066 119.396 119.600 -0.230 0.000 2.132 315 M HA -0.157 4.322 4.480 -0.001 0.000 0.263 315 M C 2.437 178.670 176.300 -0.112 0.000 1.065 315 M CA 2.225 57.431 55.300 -0.157 0.000 1.122 315 M CB -0.269 32.265 32.600 -0.109 0.000 1.365 315 M HN 0.205 nan 8.290 nan 0.000 0.411 316 K N 0.703 121.045 120.400 -0.096 0.000 2.097 316 K HA -0.135 4.184 4.320 -0.001 0.000 0.205 316 K C 1.513 178.055 176.600 -0.096 0.000 1.050 316 K CA 1.847 58.091 56.287 -0.071 0.000 0.938 316 K CB -1.025 31.446 32.500 -0.048 0.000 0.718 316 K HN 0.566 nan 8.250 nan 0.000 0.442 317 E N 0.016 120.131 120.200 -0.143 0.000 2.216 317 E HA -0.080 4.270 4.350 -0.001 0.000 0.192 317 E C 2.162 178.664 176.600 -0.164 0.000 0.988 317 E CA 1.583 57.887 56.400 -0.160 0.000 0.834 317 E CB 0.203 29.773 29.700 -0.217 0.000 0.772 317 E HN 0.797 nan 8.360 nan 0.000 0.479 318 T N -3.815 110.632 114.554 -0.178 0.000 3.015 318 T HA 0.237 4.587 4.350 -0.001 0.000 0.250 318 T C 1.592 176.231 174.700 -0.101 0.000 1.057 318 T CA 0.251 62.258 62.100 -0.154 0.000 1.066 318 T CB 0.635 69.388 68.868 -0.191 0.000 0.959 318 T HN 0.199 nan 8.240 nan 0.000 0.488 319 G N 1.959 110.707 108.800 -0.088 0.000 2.176 319 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.252 319 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.252 319 G C 0.294 175.167 174.900 -0.045 0.000 1.024 319 G CA -0.021 45.045 45.100 -0.055 0.000 0.755 319 G HN 1.184 nan 8.290 nan 0.000 0.507 320 A N -0.760 122.023 122.820 -0.063 0.000 2.498 320 A HA 0.607 4.926 4.320 -0.001 0.000 0.239 320 A C 1.455 179.032 177.584 -0.012 0.000 1.068 320 A CA 0.616 52.626 52.037 -0.045 0.000 0.766 320 A CB 0.291 19.246 19.000 -0.075 0.000 1.003 320 A HN 0.818 nan 8.150 nan 0.000 0.497 321 L N 0.774 122.002 121.223 0.010 0.000 2.529 321 L HA 0.242 4.582 4.340 -0.001 0.000 0.223 321 L C -0.016 176.883 176.870 0.049 0.000 1.113 321 L CA 0.384 55.248 54.840 0.040 0.000 0.861 321 L CB -0.078 42.011 42.059 0.050 0.000 1.012 321 L HN 0.660 nan 8.230 nan 0.000 0.461 322 L N -0.515 120.711 121.223 0.005 0.000 2.545 322 L HA 0.783 5.122 4.340 -0.001 0.000 0.258 322 L C -1.492 175.359 176.870 -0.032 0.000 0.942 322 L CA -0.288 54.514 54.840 -0.064 0.000 0.855 322 L CB 1.830 43.822 42.059 -0.111 0.000 1.374 322 L HN -0.140 nan 8.230 nan 0.000 0.411 323 A N 2.212 125.029 122.820 -0.005 0.000 2.515 323 A HA 1.019 5.339 4.320 -0.001 0.000 0.296 323 A C -0.681 177.054 177.584 0.252 0.000 1.094 323 A CA -0.073 51.985 52.037 0.035 0.000 0.718 323 A CB 1.816 20.689 19.000 -0.213 0.000 1.307 323 A HN 1.308 nan 8.150 nan 0.000 0.408 324 G N -0.096 108.857 108.800 0.256 0.000 2.696 324 G HA2 0.610 4.569 3.960 -0.001 0.000 0.295 324 G HA3 0.610 4.569 3.960 -0.001 0.000 0.295 324 G C -1.444 173.652 174.900 0.326 0.000 1.398 324 G CA -0.405 44.908 45.100 0.356 0.000 0.920 324 G HN 0.667 nan 8.290 nan 0.000 0.492 325 E N 0.785 121.206 120.200 0.369 0.000 2.277 325 E HA 0.276 4.625 4.350 -0.001 0.000 0.266 325 E C 0.657 177.381 176.600 0.207 0.000 0.901 325 E CA -1.133 55.432 56.400 0.275 0.000 0.782 325 E CB 2.387 32.290 29.700 0.337 0.000 1.228 325 E HN 0.391 nan 8.360 nan 0.000 0.424 326 M N 1.678 121.367 119.600 0.148 0.000 2.296 326 M HA -0.133 4.346 4.480 -0.001 0.000 0.265 326 M C 1.824 178.188 176.300 0.108 0.000 1.064 326 M CA 1.612 56.978 55.300 0.108 0.000 1.109 326 M CB -0.221 32.422 32.600 0.071 0.000 1.396 326 M HN 0.480 nan 8.290 nan 0.000 0.430 327 S N -1.274 114.507 115.700 0.136 0.000 2.447 327 S HA 0.177 4.647 4.470 -0.001 0.000 0.233 327 S C 1.711 176.371 174.600 0.101 0.000 1.006 327 S CA 0.822 59.098 58.200 0.127 0.000 0.957 327 S CB -0.580 62.740 63.200 0.199 0.000 0.773 327 S HN 0.799 nan 8.310 nan 0.000 0.507 328 G N -0.010 108.866 108.800 0.128 0.000 2.227 328 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.168 328 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.168 328 G C -0.154 174.742 174.900 -0.007 0.000 1.006 328 G CA -0.293 44.828 45.100 0.035 0.000 0.684 328 G HN 0.616 nan 8.290 nan 0.000 0.489 329 H N 0.322 119.426 119.070 0.057 0.000 2.767 329 H HA 0.474 5.030 4.556 -0.001 0.000 0.316 329 H C -0.489 174.804 175.328 -0.058 0.000 1.059 329 H CA 0.444 56.450 56.048 -0.070 0.000 1.461 329 H CB 1.804 31.540 29.762 -0.044 0.000 1.475 329 H HN 0.084 nan 8.280 nan 0.000 0.531 330 V N 5.783 125.627 119.914 -0.117 0.000 2.525 330 V HA 0.177 4.296 4.120 -0.001 0.000 0.299 330 V C -0.816 175.230 176.094 -0.080 0.000 1.034 330 V CA -0.768 61.553 62.300 0.035 0.000 0.863 330 V CB 1.263 33.170 31.823 0.140 0.000 0.999 330 V HN 0.469 nan 8.190 nan 0.000 0.423 331 F N 4.421 124.390 119.950 0.031 0.000 2.347 331 F HA 0.618 5.144 4.527 -0.001 0.000 0.366 331 F C -0.349 175.409 175.800 -0.071 0.000 1.107 331 F CA -1.248 56.813 58.000 0.102 0.000 1.058 331 F CB 0.780 39.857 39.000 0.129 0.000 1.236 331 F HN 0.260 nan 8.300 nan 0.000 0.456 332 F N 2.998 123.116 119.950 0.280 0.000 2.405 332 F HA 0.362 4.888 4.527 -0.001 0.000 0.355 332 F C 1.328 177.274 175.800 0.243 0.000 1.121 332 F CA -0.440 57.684 58.000 0.206 0.000 1.112 332 F CB 1.633 40.739 39.000 0.177 0.000 1.126 332 F HN 0.387 nan 8.300 nan 0.000 0.481 333 K N 1.857 122.432 120.400 0.292 0.000 2.214 333 K HA 0.016 4.336 4.320 -0.001 0.000 0.201 333 K C 0.506 177.194 176.600 0.146 0.000 1.049 333 K CA 0.573 56.963 56.287 0.171 0.000 0.978 333 K CB 0.034 32.589 32.500 0.092 0.000 0.842 333 K HN 0.499 nan 8.250 nan 0.000 0.474 334 E N 1.867 122.180 120.200 0.189 0.000 2.493 334 E HA -0.058 4.291 4.350 -0.001 0.000 0.255 334 E C -0.593 176.102 176.600 0.159 0.000 0.999 334 E CA 0.361 56.849 56.400 0.147 0.000 0.934 334 E CB 0.126 29.923 29.700 0.162 0.000 0.940 334 E HN 0.280 nan 8.360 nan 0.000 0.473 335 R N 1.532 122.067 120.500 0.059 0.000 3.989 335 R HA -0.208 4.131 4.340 -0.001 0.000 0.377 335 R C -0.179 176.157 176.300 0.060 0.000 1.158 335 R CA 1.593 57.717 56.100 0.040 0.000 1.035 335 R CB -1.442 28.894 30.300 0.060 0.000 1.557 335 R HN 0.749 nan 8.270 nan 0.000 0.551 336 W N -2.055 119.013 121.300 -0.386 0.000 3.690 336 W HA 0.344 5.003 4.660 -0.001 0.000 0.395 336 W C -0.580 175.484 176.519 -0.759 0.000 1.113 336 W CA -0.532 56.423 57.345 -0.650 0.000 1.158 336 W CB 0.383 29.532 29.460 -0.517 0.000 1.555 336 W HN -0.180 nan 8.180 nan 0.000 0.628 337 F N 0.339 119.902 119.950 -0.646 0.000 2.789 337 F HA 0.310 4.836 4.527 -0.001 0.000 0.320 337 F C 1.449 177.110 175.800 -0.230 0.000 1.079 337 F CA 0.883 58.587 58.000 -0.492 0.000 1.205 337 F CB 0.738 39.370 39.000 -0.614 0.000 1.046 337 F HN 0.563 nan 8.300 nan 0.000 0.586 338 G N 0.967 109.752 108.800 -0.025 0.000 2.148 338 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.203 338 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.203 338 G C 0.057 175.143 174.900 0.310 0.000 0.993 338 G CA -0.076 45.125 45.100 0.168 0.000 0.661 338 G HN 0.265 nan 8.290 nan 0.000 0.518 339 F N 1.289 121.482 119.950 0.406 0.000 2.440 339 F HA 0.717 5.244 4.527 -0.001 0.000 0.328 339 F C 0.290 176.367 175.800 0.462 0.000 1.070 339 F CA -2.230 56.007 58.000 0.396 0.000 1.011 339 F CB 0.564 39.702 39.000 0.230 0.000 1.226 339 F HN 0.099 nan 8.300 nan 0.000 0.491 340 D N 0.678 121.367 120.400 0.482 0.000 2.389 340 D HA 0.225 4.864 4.640 -0.001 0.000 0.247 340 D C -1.036 175.555 176.300 0.484 0.000 1.128 340 D CA 0.046 54.027 54.000 -0.032 0.000 0.884 340 D CB 1.328 41.806 40.800 -0.537 0.000 1.194 340 D HN 0.651 nan 8.370 nan 0.000 0.441 341 D N 0.596 121.216 120.400 0.367 0.000 2.452 341 D HA 0.237 4.877 4.640 -0.001 0.000 0.226 341 D C 0.906 177.398 176.300 0.320 0.000 1.366 341 D CA -0.669 53.621 54.000 0.484 0.000 0.986 341 D CB 1.329 42.584 40.800 0.758 0.000 1.420 341 D HN 0.401 nan 8.370 nan 0.000 0.583 342 G N 2.495 111.462 108.800 0.279 0.000 2.421 342 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.217 342 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.217 342 G C 1.580 176.769 174.900 0.480 0.000 1.143 342 G CA 0.475 45.767 45.100 0.320 0.000 0.784 342 G HN 0.558 nan 8.290 nan 0.000 0.541 343 I N -0.940 119.864 120.570 0.391 0.000 2.286 343 I HA -0.068 4.101 4.170 -0.001 0.000 0.245 343 I C 2.389 178.595 176.117 0.148 0.000 1.104 343 I CA 0.825 62.277 61.300 0.253 0.000 1.397 343 I CB -0.228 37.834 38.000 0.104 0.000 1.072 343 I HN 0.176 nan 8.210 nan 0.000 0.417 344 Y N 1.473 121.750 120.300 -0.039 0.000 2.200 344 Y HA -0.227 4.323 4.550 -0.001 0.000 0.290 344 Y C 2.716 178.388 175.900 -0.380 0.000 1.137 344 Y CA 1.527 59.373 58.100 -0.423 0.000 1.163 344 Y CB -0.269 37.635 38.460 -0.926 0.000 0.988 344 Y HN 0.045 nan 8.280 nan 0.000 0.518 345 S N 0.484 116.088 115.700 -0.160 0.000 2.370 345 S HA -0.239 4.230 4.470 -0.001 0.000 0.226 345 S C 2.319 176.913 174.600 -0.009 0.000 1.033 345 S CA 1.134 59.285 58.200 -0.082 0.000 1.011 345 S CB -0.943 62.399 63.200 0.237 0.000 0.852 345 S HN 0.641 nan 8.310 nan 0.000 0.457 346 A N 1.914 124.777 122.820 0.072 0.000 1.892 346 A HA -0.066 4.253 4.320 -0.001 0.000 0.218 346 A C 2.409 179.974 177.584 -0.033 0.000 1.188 346 A CA 2.042 54.131 52.037 0.086 0.000 0.631 346 A CB -1.331 17.805 19.000 0.227 0.000 0.822 346 A HN 0.550 nan 8.150 nan 0.000 0.447 347 A N -0.621 122.090 122.820 -0.181 0.000 1.883 347 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 347 A C 2.213 179.559 177.584 -0.396 0.000 1.186 347 A CA 1.708 53.561 52.037 -0.307 0.000 0.624 347 A CB -0.494 18.246 19.000 -0.434 0.000 0.822 347 A HN 0.441 nan 8.150 nan 0.000 0.444 348 R N -0.981 119.137 120.500 -0.637 0.000 2.096 348 R HA -0.096 4.243 4.340 -0.001 0.000 0.235 348 R C 2.063 178.354 176.300 -0.014 0.000 1.127 348 R CA 1.351 57.106 56.100 -0.575 0.000 0.968 348 R CB -1.279 28.273 30.300 -1.246 0.000 0.861 348 R HN 0.557 nan 8.270 nan 0.000 0.440 349 L N 1.022 122.378 121.223 0.222 0.000 2.046 349 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 349 L C 2.131 179.055 176.870 0.090 0.000 1.077 349 L CA 1.556 56.568 54.840 0.286 0.000 0.747 349 L CB -0.481 41.728 42.059 0.249 0.000 0.896 349 L HN 0.061 nan 8.230 nan 0.000 0.432 350 L N -0.655 120.579 121.223 0.019 0.000 2.093 350 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 350 L C 2.576 179.424 176.870 -0.037 0.000 1.085 350 L CA 1.516 56.348 54.840 -0.012 0.000 0.755 350 L CB -0.603 41.438 42.059 -0.030 0.000 0.904 350 L HN 0.429 nan 8.230 nan 0.000 0.435 351 E N 0.857 121.014 120.200 -0.072 0.000 2.058 351 E HA -0.252 4.097 4.350 -0.001 0.000 0.194 351 E C 2.261 178.832 176.600 -0.049 0.000 0.997 351 E CA 1.490 57.842 56.400 -0.080 0.000 0.801 351 E CB -0.032 29.589 29.700 -0.131 0.000 0.746 351 E HN 0.463 nan 8.360 nan 0.000 0.450 352 I N 0.606 121.162 120.570 -0.022 0.000 2.286 352 I HA -0.250 3.919 4.170 -0.001 0.000 0.245 352 I C 2.334 178.428 176.117 -0.039 0.000 1.104 352 I CA 0.722 62.013 61.300 -0.014 0.000 1.397 352 I CB -0.083 37.937 38.000 0.033 0.000 1.072 352 I HN 0.188 nan 8.210 nan 0.000 0.417 353 L N 0.249 121.450 121.223 -0.036 0.000 2.141 353 L HA -0.147 4.192 4.340 -0.001 0.000 0.209 353 L C 2.703 179.551 176.870 -0.037 0.000 1.094 353 L CA 1.413 56.224 54.840 -0.048 0.000 0.763 353 L CB -0.537 41.510 42.059 -0.021 0.000 0.908 353 L HN 0.370 nan 8.230 nan 0.000 0.437 354 S N -1.190 114.491 115.700 -0.031 0.000 2.453 354 S HA -0.192 4.277 4.470 -0.001 0.000 0.231 354 S C 1.741 176.320 174.600 -0.034 0.000 1.005 354 S CA 0.605 58.786 58.200 -0.030 0.000 0.949 354 S CB -0.151 63.030 63.200 -0.032 0.000 0.774 354 S HN 0.465 nan 8.310 nan 0.000 0.510 355 Q N 0.705 120.482 119.800 -0.038 0.000 2.451 355 Q HA 0.211 4.550 4.340 -0.001 0.000 0.206 355 Q C -0.163 175.812 176.000 -0.040 0.000 0.947 355 Q CA 0.265 56.046 55.803 -0.038 0.000 0.937 355 Q CB 0.212 28.927 28.738 -0.038 0.000 1.025 355 Q HN 0.515 nan 8.270 nan 0.000 0.511 356 D N -1.124 119.249 120.400 -0.046 0.000 2.163 356 D HA 0.136 4.775 4.640 -0.001 0.000 0.248 356 D C 0.600 176.873 176.300 -0.044 0.000 1.035 356 D CA 0.163 54.132 54.000 -0.051 0.000 0.872 356 D CB 1.499 42.258 40.800 -0.068 0.000 1.183 356 D HN 0.111 nan 8.370 nan 0.000 0.445 357 Q N 3.409 123.181 119.800 -0.046 0.000 2.245 357 Q HA -0.015 4.324 4.340 -0.001 0.000 0.201 357 Q C 1.077 177.049 176.000 -0.046 0.000 0.955 357 Q CA 0.875 56.653 55.803 -0.043 0.000 0.870 357 Q CB -0.288 28.423 28.738 -0.045 0.000 0.945 357 Q HN 0.482 nan 8.270 nan 0.000 0.461 358 R N 2.003 122.473 120.500 -0.050 0.000 2.615 358 R HA 0.369 4.708 4.340 -0.001 0.000 0.270 358 R C -0.405 175.888 176.300 -0.011 0.000 1.081 358 R CA -0.251 55.822 56.100 -0.045 0.000 1.154 358 R CB 0.465 30.741 30.300 -0.040 0.000 1.063 358 R HN 0.660 nan 8.270 nan 0.000 0.519 359 D N -0.193 120.223 120.400 0.028 0.000 2.377 359 D HA -0.045 4.594 4.640 -0.001 0.000 0.245 359 D C 0.719 177.067 176.300 0.081 0.000 1.196 359 D CA -0.425 53.611 54.000 0.060 0.000 0.962 359 D CB 0.675 41.528 40.800 0.088 0.000 1.127 359 D HN 0.455 nan 8.370 nan 0.000 0.471 360 S N -0.288 115.462 115.700 0.084 0.000 2.382 360 S HA -0.284 4.186 4.470 -0.001 0.000 0.228 360 S C 1.644 176.368 174.600 0.206 0.000 1.027 360 S CA 1.280 59.561 58.200 0.134 0.000 0.991 360 S CB -0.552 62.757 63.200 0.182 0.000 0.823 360 S HN 0.617 nan 8.310 nan 0.000 0.469 361 E N 1.747 122.028 120.200 0.135 0.000 2.049 361 E HA -0.235 4.114 4.350 -0.001 0.000 0.198 361 E C 1.779 178.371 176.600 -0.013 0.000 1.007 361 E CA 2.009 58.440 56.400 0.051 0.000 0.809 361 E CB -0.662 29.013 29.700 -0.042 0.000 0.749 361 E HN 0.806 nan 8.360 nan 0.000 0.450 362 H N -1.197 117.893 119.070 0.032 0.000 2.436 362 H HA 0.055 4.610 4.556 -0.001 0.000 0.294 362 H C 2.023 177.316 175.328 -0.059 0.000 1.048 362 H CA 1.103 57.145 56.048 -0.009 0.000 1.353 362 H CB 0.095 29.840 29.762 -0.028 0.000 1.414 362 H HN 0.014 nan 8.280 nan 0.000 0.536 363 V N 0.150 120.068 119.914 0.007 0.000 2.255 363 V HA -0.274 3.846 4.120 -0.001 0.000 0.247 363 V C 1.745 177.733 176.094 -0.177 0.000 1.051 363 V CA 1.842 64.039 62.300 -0.173 0.000 1.018 363 V CB -0.508 31.130 31.823 -0.309 0.000 0.641 363 V HN 0.333 nan 8.190 nan 0.000 0.445 364 F N 0.928 120.931 119.950 0.087 0.000 2.293 364 F HA -0.066 4.461 4.527 -0.001 0.000 0.297 364 F C 2.647 178.536 175.800 0.149 0.000 1.089 364 F CA 1.235 59.345 58.000 0.184 0.000 1.377 364 F CB -0.682 38.362 39.000 0.074 0.000 1.051 364 F HN 0.250 nan 8.300 nan 0.000 0.511 365 S N -0.240 115.561 115.700 0.169 0.000 2.522 365 S HA 0.044 4.513 4.470 -0.001 0.000 0.227 365 S C 2.142 176.753 174.600 0.018 0.000 0.986 365 S CA 0.476 58.718 58.200 0.069 0.000 0.929 365 S CB -0.637 62.535 63.200 -0.047 0.000 0.769 365 S HN 0.204 nan 8.310 nan 0.000 0.529 366 A N 1.128 123.900 122.820 -0.080 0.000 1.972 366 A HA 0.199 4.518 4.320 -0.001 0.000 0.219 366 A C 0.595 178.035 177.584 -0.241 0.000 1.169 366 A CA 0.551 52.453 52.037 -0.224 0.000 0.635 366 A CB -0.761 17.990 19.000 -0.415 0.000 0.810 366 A HN 0.513 nan 8.150 nan 0.000 0.446 367 F N 0.196 120.170 119.950 0.041 0.000 2.410 367 F HA 0.413 4.939 4.527 -0.001 0.000 0.334 367 F C -1.890 173.933 175.800 0.039 0.000 1.134 367 F CA -2.468 55.560 58.000 0.046 0.000 1.227 367 F CB -0.066 38.978 39.000 0.072 0.000 1.194 367 F HN -0.040 nan 8.300 nan 0.000 0.571 368 P HA 0.212 nan 4.420 nan 0.000 0.271 368 P C -1.058 176.315 177.300 0.121 0.000 1.218 368 P CA -0.219 62.958 63.100 0.128 0.000 0.780 368 P CB 0.865 32.624 31.700 0.098 0.000 0.901 369 S N 1.009 116.761 115.700 0.087 0.000 2.566 369 S HA 0.551 5.020 4.470 -0.001 0.000 0.298 369 S C -0.910 173.725 174.600 0.058 0.000 1.083 369 S CA -0.609 57.636 58.200 0.075 0.000 0.978 369 S CB 1.229 64.469 63.200 0.065 0.000 1.073 369 S HN 0.369 nan 8.310 nan 0.000 0.491 370 D N 0.866 121.298 120.400 0.054 0.000 2.490 370 D HA 0.430 5.069 4.640 -0.001 0.000 0.232 370 D C -0.234 176.072 176.300 0.011 0.000 1.053 370 D CA -0.567 53.456 54.000 0.038 0.000 0.914 370 D CB 1.297 42.131 40.800 0.057 0.000 1.431 370 D HN 0.360 nan 8.370 nan 0.000 0.483 371 I N 1.128 121.692 120.570 -0.009 0.000 2.662 371 I HA 0.001 4.171 4.170 -0.001 0.000 0.285 371 I C 0.765 176.842 176.117 -0.067 0.000 1.161 371 I CA 0.838 62.119 61.300 -0.032 0.000 1.415 371 I CB 0.284 38.261 38.000 -0.038 0.000 1.385 371 I HN -0.018 nan 8.210 nan 0.000 0.552 372 S N 4.481 120.139 115.700 -0.070 0.000 2.513 372 S HA 0.576 5.045 4.470 -0.001 0.000 0.299 372 S C -0.154 174.373 174.600 -0.121 0.000 1.087 372 S CA -0.707 57.423 58.200 -0.116 0.000 1.012 372 S CB 1.395 64.538 63.200 -0.095 0.000 1.044 372 S HN 0.718 nan 8.310 nan 0.000 0.485 373 T N 2.267 116.728 114.554 -0.156 0.000 2.918 373 T HA 0.672 5.021 4.350 -0.001 0.000 0.283 373 T C -2.659 171.948 174.700 -0.154 0.000 1.001 373 T CA -1.614 60.414 62.100 -0.121 0.000 1.041 373 T CB 0.841 69.665 68.868 -0.073 0.000 1.028 373 T HN 0.484 nan 8.240 nan 0.000 0.511 374 P HA 0.209 nan 4.420 nan 0.000 0.274 374 P C -0.180 177.043 177.300 -0.128 0.000 1.231 374 P CA -0.511 62.504 63.100 -0.142 0.000 0.790 374 P CB 0.400 32.053 31.700 -0.079 0.000 0.951 375 E N 1.458 121.574 120.200 -0.140 0.000 2.765 375 E HA -0.029 4.321 4.350 -0.001 0.000 0.256 375 E C -0.563 176.003 176.600 -0.056 0.000 0.935 375 E CA 0.190 56.525 56.400 -0.107 0.000 0.954 375 E CB -0.123 29.529 29.700 -0.079 0.000 0.908 375 E HN 0.286 nan 8.360 nan 0.000 0.500 376 I N 4.477 125.018 120.570 -0.050 0.000 2.437 376 I HA 0.259 4.428 4.170 -0.001 0.000 0.298 376 I C 0.141 176.287 176.117 0.049 0.000 0.984 376 I CA -0.545 60.773 61.300 0.029 0.000 1.214 376 I CB 1.643 39.699 38.000 0.093 0.000 1.365 376 I HN 0.508 nan 8.210 nan 0.000 0.469 377 N N 6.059 124.805 118.700 0.075 0.000 2.346 377 N HA 0.578 5.318 4.740 -0.001 0.000 0.289 377 N C -1.309 174.254 175.510 0.089 0.000 1.027 377 N CA -0.605 52.488 53.050 0.071 0.000 0.864 377 N CB 2.272 40.790 38.487 0.051 0.000 1.370 377 N HN 0.356 nan 8.380 nan 0.000 0.481 378 I N 1.755 122.379 120.570 0.090 0.000 2.382 378 I HA 0.194 4.364 4.170 -0.001 0.000 0.286 378 I C 0.020 176.165 176.117 0.047 0.000 1.002 378 I CA -0.526 60.819 61.300 0.076 0.000 1.135 378 I CB 1.765 39.822 38.000 0.096 0.000 1.288 378 I HN 0.319 nan 8.210 nan 0.000 0.448 379 T N 6.423 120.998 114.554 0.035 0.000 2.779 379 T HA 0.300 4.649 4.350 -0.001 0.000 0.296 379 T C 0.683 175.391 174.700 0.013 0.000 0.938 379 T CA -0.405 61.708 62.100 0.022 0.000 1.119 379 T CB 0.826 69.707 68.868 0.023 0.000 0.891 379 T HN 0.483 nan 8.240 nan 0.000 0.526 380 V N 1.384 121.298 119.914 -0.001 0.000 6.654 380 V HA 0.852 4.971 4.120 -0.001 0.000 0.271 380 V C 0.462 176.546 176.094 -0.017 0.000 1.660 380 V CA -0.386 61.909 62.300 -0.008 0.000 0.586 380 V CB 0.764 32.578 31.823 -0.015 0.000 1.532 380 V HN 0.815 nan 8.190 nan 0.000 0.371 381 T N -3.090 111.445 114.554 -0.032 0.000 2.906 381 T HA 0.483 4.833 4.350 -0.001 0.000 0.295 381 T C 0.418 175.078 174.700 -0.067 0.000 1.075 381 T CA -0.402 61.679 62.100 -0.032 0.000 1.005 381 T CB 2.142 71.002 68.868 -0.013 0.000 1.136 381 T HN 0.584 nan 8.240 nan 0.000 0.498 382 E N 0.647 120.816 120.200 -0.053 0.000 2.265 382 E HA -0.084 4.265 4.350 -0.001 0.000 0.196 382 E C 0.424 176.992 176.600 -0.053 0.000 0.996 382 E CA 1.074 57.430 56.400 -0.074 0.000 0.832 382 E CB 0.013 29.706 29.700 -0.012 0.000 0.756 382 E HN 0.637 nan 8.360 nan 0.000 0.491 383 D N -0.880 119.511 120.400 -0.014 0.000 2.368 383 D HA 0.037 4.676 4.640 -0.001 0.000 0.218 383 D C 1.286 177.597 176.300 0.019 0.000 1.112 383 D CA 0.255 54.270 54.000 0.025 0.000 0.834 383 D CB 0.552 41.371 40.800 0.030 0.000 0.953 383 D HN 0.103 nan 8.370 nan 0.000 0.505 384 S N -0.644 115.044 115.700 -0.021 0.000 2.663 384 S HA -0.029 4.441 4.470 -0.001 0.000 0.247 384 S C 1.740 176.316 174.600 -0.039 0.000 1.074 384 S CA -0.305 57.889 58.200 -0.010 0.000 0.955 384 S CB 0.185 63.380 63.200 -0.008 0.000 0.901 384 S HN 0.143 nan 8.310 nan 0.000 0.505 385 K N 0.826 121.137 120.400 -0.149 0.000 2.057 385 K HA -0.042 4.277 4.320 -0.001 0.000 0.207 385 K C 1.371 177.865 176.600 -0.176 0.000 1.049 385 K CA 1.543 57.696 56.287 -0.224 0.000 0.931 385 K CB -0.677 31.593 32.500 -0.383 0.000 0.714 385 K HN 0.330 nan 8.250 nan 0.000 0.440 386 F N 1.787 121.752 119.950 0.026 0.000 2.206 386 F HA 0.123 4.649 4.527 -0.000 0.000 0.298 386 F C 2.765 178.580 175.800 0.026 0.000 1.090 386 F CA 0.701 58.714 58.000 0.021 0.000 1.323 386 F CB -0.764 38.242 39.000 0.010 0.000 1.028 386 F HN 0.151 nan 8.300 nan 0.000 0.492 387 A N 0.381 123.313 122.820 0.187 0.000 1.930 387 A HA -0.110 4.209 4.320 -0.001 0.000 0.217 387 A C 2.255 179.894 177.584 0.092 0.000 1.175 387 A CA 1.405 53.514 52.037 0.118 0.000 0.627 387 A CB -1.070 17.982 19.000 0.086 0.000 0.815 387 A HN 0.378 nan 8.150 nan 0.000 0.443 388 I N -0.155 120.462 120.570 0.079 0.000 2.226 388 I HA -0.218 3.952 4.170 -0.001 0.000 0.245 388 I C 2.063 178.244 176.117 0.107 0.000 1.100 388 I CA 0.767 62.114 61.300 0.078 0.000 1.374 388 I CB -0.286 37.752 38.000 0.063 0.000 1.057 388 I HN 0.215 nan 8.210 nan 0.000 0.413 389 I N 0.882 121.526 120.570 0.123 0.000 2.226 389 I HA -0.236 3.933 4.170 -0.001 0.000 0.245 389 I C 2.471 178.665 176.117 0.129 0.000 1.100 389 I CA 1.620 63.005 61.300 0.141 0.000 1.374 389 I CB -1.281 36.814 38.000 0.159 0.000 1.057 389 I HN 0.310 nan 8.210 nan 0.000 0.413 390 E N 0.833 121.103 120.200 0.118 0.000 2.077 390 E HA -0.168 4.181 4.350 -0.001 0.000 0.193 390 E C 2.341 178.991 176.600 0.082 0.000 0.989 390 E CA 1.351 57.806 56.400 0.091 0.000 0.800 390 E CB -0.149 29.599 29.700 0.081 0.000 0.746 390 E HN 0.480 nan 8.360 nan 0.000 0.452 391 A N 1.174 124.042 122.820 0.080 0.000 1.902 391 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 391 A C 2.181 179.809 177.584 0.074 0.000 1.181 391 A CA 1.076 53.151 52.037 0.063 0.000 0.623 391 A CB -0.622 18.410 19.000 0.052 0.000 0.818 391 A HN 0.144 nan 8.150 nan 0.000 0.443 392 L N -1.097 120.195 121.223 0.115 0.000 2.141 392 L HA -0.227 4.112 4.340 -0.001 0.000 0.209 392 L C 2.834 179.836 176.870 0.221 0.000 1.094 392 L CA 1.429 56.375 54.840 0.177 0.000 0.763 392 L CB -0.450 41.775 42.059 0.276 0.000 0.908 392 L HN 0.502 nan 8.230 nan 0.000 0.437 393 Q N -0.793 119.107 119.800 0.168 0.000 2.172 393 Q HA -0.116 4.223 4.340 -0.001 0.000 0.200 393 Q C 2.335 178.403 176.000 0.113 0.000 0.964 393 Q CA 0.925 56.817 55.803 0.147 0.000 0.855 393 Q CB 0.124 28.920 28.738 0.097 0.000 0.918 393 Q HN 0.402 nan 8.270 nan 0.000 0.444 394 R N 0.223 120.773 120.500 0.082 0.000 2.057 394 R HA -0.075 4.264 4.340 -0.001 0.000 0.229 394 R C 1.015 177.339 176.300 0.041 0.000 1.136 394 R CA 1.375 57.508 56.100 0.054 0.000 0.952 394 R CB 0.202 30.526 30.300 0.039 0.000 0.848 394 R HN 0.250 nan 8.270 nan 0.000 0.430 395 D N -0.511 119.905 120.400 0.026 0.000 2.423 395 D HA 0.123 4.762 4.640 -0.001 0.000 0.208 395 D C 0.077 176.327 176.300 -0.083 0.000 1.068 395 D CA 0.101 54.089 54.000 -0.020 0.000 0.860 395 D CB 0.425 41.210 40.800 -0.026 0.000 0.992 395 D HN 0.100 nan 8.370 nan 0.000 0.504 396 A N 1.178 123.935 122.820 -0.104 0.000 2.407 396 A HA 0.289 4.609 4.320 -0.001 0.000 0.248 396 A C 0.236 177.504 177.584 -0.526 0.000 1.082 396 A CA -0.107 51.692 52.037 -0.396 0.000 0.785 396 A CB 0.528 19.211 19.000 -0.529 0.000 1.020 396 A HN -0.120 nan 8.150 nan 0.000 0.489 397 Q N 0.975 120.345 119.800 -0.717 0.000 2.333 397 Q HA 0.287 4.626 4.340 -0.001 0.000 0.268 397 Q C -1.024 174.579 176.000 -0.661 0.000 1.007 397 Q CA 0.019 55.525 55.803 -0.495 0.000 0.810 397 Q CB 1.405 29.997 28.738 -0.244 0.000 1.264 397 Q HN 0.925 nan 8.270 nan 0.000 0.452 398 W N 1.381 122.689 121.300 0.014 0.000 3.008 398 W HA 0.347 5.006 4.660 -0.002 0.000 0.355 398 W C 1.129 177.758 176.519 0.183 0.000 1.095 398 W CA 0.215 57.600 57.345 0.067 0.000 1.738 398 W CB 0.751 30.230 29.460 0.032 0.000 1.091 398 W HN 0.983 nan 8.180 nan 0.000 0.574 399 G N 1.697 110.652 108.800 0.259 0.000 2.645 399 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.239 399 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.239 399 G C -0.472 174.594 174.900 0.277 0.000 1.331 399 G CA -0.250 44.991 45.100 0.236 0.000 0.890 399 G HN 0.143 nan 8.290 nan 0.000 0.572 400 E N 0.772 121.124 120.200 0.253 0.000 2.299 400 E HA 0.545 4.894 4.350 -0.001 0.000 0.272 400 E C 0.626 177.396 176.600 0.284 0.000 1.043 400 E CA 1.239 57.771 56.400 0.219 0.000 0.895 400 E CB 0.165 29.964 29.700 0.166 0.000 1.011 400 E HN 1.800 nan 8.360 nan 0.000 0.432 401 G N 3.441 112.310 108.800 0.116 0.000 2.466 401 G HA2 0.162 4.121 3.960 -0.001 0.000 0.291 401 G HA3 0.162 4.121 3.960 -0.001 0.000 0.291 401 G C -1.397 173.451 174.900 -0.086 0.000 1.460 401 G CA -1.086 43.962 45.100 -0.086 0.000 0.791 401 G HN 0.444 nan 8.290 nan 0.000 0.505 402 N N 0.552 119.175 118.700 -0.130 0.000 2.406 402 N HA 0.315 5.054 4.740 -0.001 0.000 0.251 402 N C -0.253 175.175 175.510 -0.138 0.000 1.069 402 N CA -0.039 52.956 53.050 -0.092 0.000 0.947 402 N CB 1.447 39.895 38.487 -0.064 0.000 1.111 402 N HN 0.367 nan 8.380 nan 0.000 0.497 403 I N 1.750 122.255 120.570 -0.110 0.000 2.325 403 I HA 0.111 4.280 4.170 -0.001 0.000 0.291 403 I C 0.346 176.392 176.117 -0.118 0.000 1.019 403 I CA -0.050 61.157 61.300 -0.155 0.000 1.302 403 I CB 0.723 38.657 38.000 -0.111 0.000 1.401 403 I HN 0.166 nan 8.210 nan 0.000 0.485 404 T N 3.420 117.886 114.554 -0.146 0.000 2.779 404 T HA 0.285 4.635 4.350 -0.001 0.000 0.280 404 T C 0.776 175.404 174.700 -0.119 0.000 0.987 404 T CA -0.571 61.462 62.100 -0.112 0.000 0.966 404 T CB 1.203 70.004 68.868 -0.112 0.000 0.933 404 T HN 0.740 nan 8.240 nan 0.000 0.442 405 T N -0.143 114.360 114.554 -0.084 0.000 3.182 405 T HA 0.114 4.463 4.350 -0.001 0.000 0.277 405 T C 1.799 176.444 174.700 -0.091 0.000 1.013 405 T CA -0.403 61.654 62.100 -0.072 0.000 0.900 405 T CB -0.541 68.309 68.868 -0.029 0.000 1.098 405 T HN 0.411 nan 8.240 nan 0.000 0.543 406 L N -0.787 120.359 121.223 -0.129 0.000 2.127 406 L HA 0.321 4.661 4.340 -0.001 0.000 0.211 406 L C 0.238 176.927 176.870 -0.301 0.000 1.089 406 L CA 1.347 56.054 54.840 -0.222 0.000 0.757 406 L CB -0.666 41.227 42.059 -0.276 0.000 0.899 406 L HN 0.190 nan 8.230 nan 0.000 0.434 407 D N -0.521 119.742 120.400 -0.227 0.000 2.365 407 D HA 0.462 5.101 4.640 -0.001 0.000 0.235 407 D C 0.442 176.693 176.300 -0.082 0.000 1.368 407 D CA 0.611 54.504 54.000 -0.178 0.000 1.001 407 D CB 0.909 41.561 40.800 -0.245 0.000 1.364 407 D HN 0.470 nan 8.370 nan 0.000 0.577 408 G N 1.677 110.463 108.800 -0.022 0.000 2.547 408 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.271 408 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.271 408 G C -0.768 174.128 174.900 -0.007 0.000 1.209 408 G CA 0.202 45.316 45.100 0.023 0.000 0.959 408 G HN 1.052 nan 8.290 nan 0.000 0.563 409 V N 0.901 120.809 119.914 -0.011 0.000 2.482 409 V HA 0.686 4.805 4.120 -0.001 0.000 0.295 409 V C 0.326 176.347 176.094 -0.122 0.000 1.026 409 V CA -0.307 61.914 62.300 -0.130 0.000 0.856 409 V CB 1.534 33.206 31.823 -0.252 0.000 1.001 409 V HN 0.909 nan 8.190 nan 0.000 0.424 410 R N 3.390 123.803 120.500 -0.146 0.000 2.514 410 R HA 0.832 5.172 4.340 -0.001 0.000 0.301 410 R C -1.713 174.489 176.300 -0.163 0.000 0.962 410 R CA -0.431 55.627 56.100 -0.071 0.000 0.882 410 R CB 2.015 32.275 30.300 -0.068 0.000 1.143 410 R HN 0.532 nan 8.270 nan 0.000 0.452 411 V N 4.146 124.021 119.914 -0.064 0.000 2.443 411 V HA 0.251 4.370 4.120 -0.001 0.000 0.293 411 V C -0.745 175.221 176.094 -0.215 0.000 1.021 411 V CA -0.858 61.290 62.300 -0.254 0.000 0.848 411 V CB 1.746 33.334 31.823 -0.392 0.000 0.998 411 V HN 0.811 nan 8.190 nan 0.000 0.424 412 D N 4.188 124.448 120.400 -0.233 0.000 2.317 412 D HA 0.384 5.024 4.640 -0.001 0.000 0.234 412 D C -0.881 175.297 176.300 -0.204 0.000 1.112 412 D CA 0.021 53.969 54.000 -0.086 0.000 0.840 412 D CB 1.637 42.411 40.800 -0.044 0.000 1.078 412 D HN 0.405 nan 8.370 nan 0.000 0.486 413 Y N 1.446 121.859 120.300 0.189 0.000 2.432 413 Y HA 0.208 4.758 4.550 -0.001 0.000 0.322 413 Y C -1.115 174.859 175.900 0.122 0.000 1.246 413 Y CA -2.137 56.052 58.100 0.148 0.000 1.268 413 Y CB 0.101 38.655 38.460 0.157 0.000 1.276 413 Y HN 0.250 nan 8.280 nan 0.000 0.499 414 P HA -0.153 nan 4.420 nan 0.000 0.217 414 P C 0.834 178.227 177.300 0.155 0.000 1.148 414 P CA 2.447 65.645 63.100 0.163 0.000 0.828 414 P CB 0.187 31.966 31.700 0.132 0.000 0.783 415 K N -0.827 119.679 120.400 0.178 0.000 2.438 415 K HA 0.578 4.898 4.320 -0.001 0.000 0.205 415 K C 0.675 177.365 176.600 0.150 0.000 1.033 415 K CA 0.513 56.879 56.287 0.132 0.000 1.089 415 K CB 0.346 32.895 32.500 0.083 0.000 0.857 415 K HN 0.367 nan 8.250 nan 0.000 0.522 416 G N -0.260 108.685 108.800 0.241 0.000 2.320 416 G HA2 0.493 4.452 3.960 -0.001 0.000 0.296 416 G HA3 0.493 4.452 3.960 -0.001 0.000 0.296 416 G C -1.857 173.302 174.900 0.432 0.000 1.306 416 G CA -0.082 45.166 45.100 0.246 0.000 0.836 416 G HN 0.722 nan 8.290 nan 0.000 0.517 417 W N -0.405 121.002 121.300 0.180 0.000 3.213 417 W HA 0.757 5.416 4.660 -0.001 0.000 0.318 417 W C -0.515 176.046 176.519 0.069 0.000 1.248 417 W CA -1.122 56.312 57.345 0.147 0.000 1.187 417 W CB 1.274 30.743 29.460 0.015 0.000 1.403 417 W HN 1.413 nan 8.180 nan 0.000 0.556 418 G N 1.470 110.373 108.800 0.172 0.000 2.533 418 G HA2 0.733 4.692 3.960 -0.001 0.000 0.304 418 G HA3 0.733 4.692 3.960 -0.001 0.000 0.304 418 G C -2.410 172.245 174.900 -0.409 0.000 1.263 418 G CA -0.983 43.785 45.100 -0.554 0.000 0.964 418 G HN 0.746 nan 8.290 nan 0.000 0.479 419 L N 0.981 121.738 121.223 -0.777 0.000 2.445 419 L HA 0.879 5.219 4.340 -0.001 0.000 0.262 419 L C -1.435 175.268 176.870 -0.280 0.000 0.974 419 L CA -0.978 53.714 54.840 -0.247 0.000 0.822 419 L CB 2.357 44.424 42.059 0.013 0.000 1.339 419 L HN 0.716 nan 8.230 nan 0.000 0.409 420 V N 5.301 125.252 119.914 0.062 0.000 2.733 420 V HA 0.873 4.992 4.120 -0.001 0.000 0.306 420 V C -1.281 174.870 176.094 0.095 0.000 1.084 420 V CA -0.166 62.200 62.300 0.111 0.000 0.905 420 V CB 1.872 33.891 31.823 0.326 0.000 1.010 420 V HN 1.097 nan 8.190 nan 0.000 0.424 421 R N 5.120 125.659 120.500 0.065 0.000 2.734 421 R HA 0.898 5.238 4.340 -0.001 0.000 0.271 421 R C -1.040 175.297 176.300 0.061 0.000 1.021 421 R CA -0.494 55.644 56.100 0.063 0.000 0.893 421 R CB 1.908 32.229 30.300 0.036 0.000 1.244 421 R HN 0.988 nan 8.270 nan 0.000 0.464 422 A N 1.447 124.310 122.820 0.071 0.000 2.320 422 A HA 0.370 4.689 4.320 -0.001 0.000 0.287 422 A C 0.270 177.881 177.584 0.044 0.000 1.181 422 A CA -0.323 51.720 52.037 0.009 0.000 0.831 422 A CB 0.936 19.888 19.000 -0.080 0.000 1.102 422 A HN 0.709 nan 8.150 nan 0.000 0.513 423 S N 1.656 117.363 115.700 0.012 0.000 2.566 423 S HA -0.010 4.459 4.470 -0.001 0.000 0.280 423 S C 0.656 175.282 174.600 0.042 0.000 1.343 423 S CA 0.247 58.479 58.200 0.054 0.000 1.036 423 S CB -0.145 63.081 63.200 0.043 0.000 0.866 423 S HN 0.694 nan 8.310 nan 0.000 0.526 424 N N 0.881 119.615 118.700 0.056 0.000 2.275 424 N HA 0.169 4.909 4.740 -0.001 0.000 0.236 424 N C 0.647 176.106 175.510 -0.085 0.000 1.154 424 N CA 0.282 53.278 53.050 -0.089 0.000 0.866 424 N CB 0.823 39.020 38.487 -0.484 0.000 1.093 424 N HN 0.755 nan 8.380 nan 0.000 0.515 425 T N -4.507 110.076 114.554 0.048 0.000 2.980 425 T HA 0.108 4.458 4.350 -0.001 0.000 0.252 425 T C 0.684 175.434 174.700 0.083 0.000 0.962 425 T CA 0.128 62.286 62.100 0.096 0.000 0.932 425 T CB 0.249 69.228 68.868 0.185 0.000 1.188 425 T HN 0.062 nan 8.240 nan 0.000 0.500 426 T N 0.180 114.768 114.554 0.057 0.000 2.896 426 T HA 0.595 4.944 4.350 -0.001 0.000 0.297 426 T C -3.211 171.483 174.700 -0.009 0.000 1.108 426 T CA -1.899 60.227 62.100 0.042 0.000 1.004 426 T CB 2.037 70.942 68.868 0.061 0.000 1.159 426 T HN -0.157 nan 8.240 nan 0.000 0.499 427 P HA 0.258 nan 4.420 nan 0.000 0.232 427 P C -0.130 177.144 177.300 -0.043 0.000 1.738 427 P CA -0.121 62.946 63.100 -0.055 0.000 0.948 427 P CB -0.610 31.072 31.700 -0.030 0.000 1.943 428 V N -0.895 118.993 119.914 -0.042 0.000 2.876 428 V HA 0.508 4.628 4.120 -0.001 0.000 0.312 428 V C -0.812 175.274 176.094 -0.013 0.000 1.085 428 V CA -1.395 60.899 62.300 -0.010 0.000 0.945 428 V CB 2.483 34.319 31.823 0.022 0.000 1.017 428 V HN -0.083 nan 8.190 nan 0.000 0.428 429 L N 4.024 125.257 121.223 0.018 0.000 2.290 429 L HA 0.583 4.923 4.340 -0.001 0.000 0.284 429 L C -0.400 176.504 176.870 0.056 0.000 1.078 429 L CA -0.640 54.227 54.840 0.044 0.000 0.815 429 L CB 1.586 43.695 42.059 0.083 0.000 1.162 429 L HN 0.566 nan 8.230 nan 0.000 0.435 430 V N 5.331 125.269 119.914 0.040 0.000 2.398 430 V HA 0.454 4.573 4.120 -0.001 0.000 0.286 430 V C -0.003 176.073 176.094 -0.030 0.000 1.026 430 V CA -0.435 61.875 62.300 0.016 0.000 0.868 430 V CB 1.675 33.510 31.823 0.020 0.000 0.982 430 V HN 0.466 nan 8.190 nan 0.000 0.443 431 L N 5.644 126.813 121.223 -0.091 0.000 2.354 431 L HA 0.802 5.141 4.340 -0.001 0.000 0.264 431 L C -0.084 176.513 176.870 -0.454 0.000 1.008 431 L CA -0.491 54.166 54.840 -0.305 0.000 0.819 431 L CB 2.061 43.949 42.059 -0.285 0.000 1.339 431 L HN 0.442 nan 8.230 nan 0.000 0.420 432 R N 1.286 121.297 120.500 -0.815 0.000 2.626 432 R HA 0.664 5.003 4.340 -0.001 0.000 0.274 432 R C -1.943 173.513 176.300 -1.407 0.000 1.031 432 R CA -0.691 54.942 56.100 -0.779 0.000 0.898 432 R CB 2.316 32.393 30.300 -0.372 0.000 1.222 432 R HN 0.414 nan 8.270 nan 0.000 0.455 433 F N 0.314 119.803 119.950 -0.768 0.000 2.578 433 F HA 0.490 5.016 4.527 -0.001 0.000 0.311 433 F C 0.262 175.520 175.800 -0.903 0.000 1.094 433 F CA -0.650 56.815 58.000 -0.893 0.000 0.923 433 F CB 2.373 40.991 39.000 -0.637 0.000 1.230 433 F HN 0.167 nan 8.300 nan 0.000 0.450 434 E N 1.130 120.805 120.200 -0.876 0.000 2.356 434 E HA 0.862 5.211 4.350 -0.001 0.000 0.275 434 E C -1.381 175.037 176.600 -0.303 0.000 0.904 434 E CA -1.045 55.010 56.400 -0.574 0.000 0.757 434 E CB 3.077 32.395 29.700 -0.637 0.000 1.232 434 E HN 0.760 nan 8.360 nan 0.000 0.442 435 A N 1.541 124.286 122.820 -0.126 0.000 2.564 435 A HA 0.371 4.691 4.320 -0.001 0.000 0.291 435 A C -0.565 177.018 177.584 -0.003 0.000 1.102 435 A CA -0.541 51.475 52.037 -0.035 0.000 0.660 435 A CB 1.032 20.002 19.000 -0.050 0.000 1.283 435 A HN 0.551 nan 8.150 nan 0.000 0.430 436 D N 0.333 120.743 120.400 0.018 0.000 2.194 436 D HA 0.096 4.736 4.640 -0.001 0.000 0.204 436 D C 0.891 177.192 176.300 0.002 0.000 0.964 436 D CA 2.324 56.335 54.000 0.019 0.000 0.846 436 D CB 0.113 40.930 40.800 0.029 0.000 0.962 436 D HN 0.792 nan 8.370 nan 0.000 0.490 437 T N -2.520 112.028 114.554 -0.009 0.000 2.896 437 T HA 0.317 4.666 4.350 -0.001 0.000 0.297 437 T C 0.832 175.512 174.700 -0.034 0.000 1.108 437 T CA -0.801 61.289 62.100 -0.017 0.000 1.004 437 T CB 2.664 71.525 68.868 -0.013 0.000 1.159 437 T HN -0.336 nan 8.240 nan 0.000 0.499 438 E N 0.862 121.041 120.200 -0.034 0.000 2.110 438 E HA -0.111 4.238 4.350 -0.001 0.000 0.193 438 E C 2.567 179.135 176.600 -0.052 0.000 0.988 438 E CA 1.859 58.231 56.400 -0.046 0.000 0.804 438 E CB -0.695 28.983 29.700 -0.037 0.000 0.745 438 E HN 0.942 nan 8.360 nan 0.000 0.458 439 E N 1.491 121.667 120.200 -0.040 0.000 2.058 439 E HA -0.263 4.087 4.350 -0.001 0.000 0.194 439 E C 1.865 178.433 176.600 -0.053 0.000 0.997 439 E CA 1.830 58.205 56.400 -0.040 0.000 0.801 439 E CB -0.647 29.036 29.700 -0.028 0.000 0.746 439 E HN 0.278 nan 8.360 nan 0.000 0.450 440 E N -0.326 119.845 120.200 -0.049 0.000 2.072 440 E HA -0.035 4.314 4.350 -0.001 0.000 0.190 440 E C 2.001 178.550 176.600 -0.085 0.000 0.982 440 E CA 1.011 57.377 56.400 -0.057 0.000 0.803 440 E CB -0.352 29.331 29.700 -0.028 0.000 0.755 440 E HN 0.429 nan 8.360 nan 0.000 0.453 441 L N 0.891 122.057 121.223 -0.094 0.000 2.042 441 L HA -0.179 4.161 4.340 -0.001 0.000 0.210 441 L C 2.224 178.973 176.870 -0.202 0.000 1.076 441 L CA 2.112 56.864 54.840 -0.148 0.000 0.749 441 L CB -0.507 41.469 42.059 -0.138 0.000 0.893 441 L HN 0.142 nan 8.230 nan 0.000 0.432 442 E N -0.349 119.764 120.200 -0.145 0.000 2.106 442 E HA -0.230 4.119 4.350 -0.001 0.000 0.192 442 E C 2.397 178.930 176.600 -0.112 0.000 0.984 442 E CA 1.182 57.503 56.400 -0.132 0.000 0.806 442 E CB -0.215 29.436 29.700 -0.081 0.000 0.750 442 E HN 0.396 nan 8.360 nan 0.000 0.458 443 R N -0.056 120.386 120.500 -0.097 0.000 2.073 443 R HA -0.097 4.242 4.340 -0.001 0.000 0.234 443 R C 2.337 178.595 176.300 -0.071 0.000 1.134 443 R CA 1.610 57.661 56.100 -0.082 0.000 0.952 443 R CB -0.360 29.882 30.300 -0.097 0.000 0.850 443 R HN 0.243 nan 8.270 nan 0.000 0.433 444 I N 0.947 121.461 120.570 -0.094 0.000 2.179 444 I HA -0.269 3.900 4.170 -0.001 0.000 0.242 444 I C 2.278 178.434 176.117 0.065 0.000 1.088 444 I CA 1.468 62.791 61.300 0.038 0.000 1.357 444 I CB -0.189 37.862 38.000 0.085 0.000 1.051 444 I HN 0.127 nan 8.210 nan 0.000 0.409 445 K N 0.187 120.363 120.400 -0.373 0.000 2.063 445 K HA -0.164 4.155 4.320 -0.001 0.000 0.208 445 K C 2.086 178.756 176.600 0.117 0.000 1.048 445 K CA 1.975 57.934 56.287 -0.547 0.000 0.928 445 K CB -0.357 31.762 32.500 -0.635 0.000 0.713 445 K HN 0.310 nan 8.250 nan 0.000 0.442 446 T N 0.713 115.313 114.554 0.078 0.000 2.821 446 T HA -0.080 4.269 4.350 -0.001 0.000 0.267 446 T C 1.975 176.775 174.700 0.166 0.000 1.046 446 T CA 0.950 63.117 62.100 0.111 0.000 1.139 446 T CB -0.113 68.775 68.868 0.034 0.000 0.871 446 T HN -0.058 nan 8.240 nan 0.000 0.454 447 V N 0.908 120.948 119.914 0.210 0.000 2.255 447 V HA -0.160 3.959 4.120 -0.001 0.000 0.247 447 V C 2.117 178.399 176.094 0.313 0.000 1.051 447 V CA 1.780 64.222 62.300 0.237 0.000 1.018 447 V CB -0.727 31.289 31.823 0.320 0.000 0.641 447 V HN 0.386 nan 8.190 nan 0.000 0.445 448 F N 0.305 120.506 119.950 0.419 0.000 2.146 448 F HA -0.099 4.427 4.527 -0.001 0.000 0.298 448 F C 2.602 178.685 175.800 0.472 0.000 1.096 448 F CA 1.938 60.290 58.000 0.587 0.000 1.275 448 F CB -0.594 38.849 39.000 0.738 0.000 1.008 448 F HN 0.027 nan 8.300 nan 0.000 0.480 449 R N 0.638 121.513 120.500 0.625 0.000 2.083 449 R HA -0.202 4.137 4.340 -0.001 0.000 0.237 449 R C 1.873 178.238 176.300 0.108 0.000 1.137 449 R CA 2.091 58.337 56.100 0.244 0.000 0.951 449 R CB -0.440 29.893 30.300 0.055 0.000 0.851 449 R HN 0.164 nan 8.270 nan 0.000 0.434 450 N N 0.222 118.974 118.700 0.087 0.000 2.244 450 N HA -0.122 4.617 4.740 -0.001 0.000 0.183 450 N C 1.671 177.149 175.510 -0.054 0.000 1.016 450 N CA 0.992 54.041 53.050 -0.001 0.000 0.866 450 N CB -0.150 38.325 38.487 -0.019 0.000 0.980 450 N HN 0.329 nan 8.380 nan 0.000 0.430 451 Q N 0.583 120.327 119.800 -0.093 0.000 2.123 451 Q HA 0.078 4.417 4.340 -0.001 0.000 0.199 451 Q C 2.305 178.268 176.000 -0.061 0.000 0.966 451 Q CA 0.532 56.202 55.803 -0.221 0.000 0.845 451 Q CB -0.336 28.041 28.738 -0.602 0.000 0.907 451 Q HN 0.416 nan 8.270 nan 0.000 0.439 452 L N 0.433 121.695 121.223 0.065 0.000 2.056 452 L HA -0.155 4.184 4.340 -0.001 0.000 0.207 452 L C 2.276 179.165 176.870 0.032 0.000 1.078 452 L CA 0.949 55.846 54.840 0.096 0.000 0.749 452 L CB -0.301 41.861 42.059 0.171 0.000 0.901 452 L HN 0.077 nan 8.230 nan 0.000 0.433 453 K N 0.234 120.637 120.400 0.006 0.000 2.097 453 K HA -0.100 4.220 4.320 -0.001 0.000 0.206 453 K C 2.105 178.692 176.600 -0.023 0.000 1.049 453 K CA 1.429 57.707 56.287 -0.016 0.000 0.933 453 K CB -0.431 32.052 32.500 -0.028 0.000 0.717 453 K HN 0.272 nan 8.250 nan 0.000 0.442 454 A N 0.827 123.625 122.820 -0.037 0.000 2.015 454 A HA -0.078 4.241 4.320 -0.001 0.000 0.219 454 A C 2.434 179.998 177.584 -0.033 0.000 1.163 454 A CA 1.176 53.184 52.037 -0.048 0.000 0.646 454 A CB -0.341 18.609 19.000 -0.083 0.000 0.806 454 A HN 0.059 nan 8.150 nan 0.000 0.448 455 V N -0.150 119.753 119.914 -0.019 0.000 2.346 455 V HA -0.016 4.104 4.120 -0.001 0.000 0.244 455 V C 0.542 176.639 176.094 0.005 0.000 1.037 455 V CA 1.811 64.111 62.300 0.000 0.000 1.029 455 V CB -0.241 31.597 31.823 0.025 0.000 0.663 455 V HN 0.653 nan 8.190 nan 0.000 0.454 456 D N -1.419 118.985 120.400 0.006 0.000 2.478 456 D HA 0.144 4.784 4.640 -0.001 0.000 0.240 456 D C 0.891 177.189 176.300 -0.004 0.000 1.364 456 D CA 0.493 54.495 54.000 0.004 0.000 0.987 456 D CB 1.700 42.507 40.800 0.011 0.000 1.328 456 D HN 0.137 nan 8.370 nan 0.000 0.584 457 S N 1.628 117.322 115.700 -0.010 0.000 2.474 457 S HA -0.142 4.327 4.470 -0.001 0.000 0.235 457 S C 1.447 176.036 174.600 -0.018 0.000 0.997 457 S CA 1.218 59.408 58.200 -0.017 0.000 0.949 457 S CB -0.243 62.946 63.200 -0.018 0.000 0.766 457 S HN 0.341 nan 8.310 nan 0.000 0.517 458 S N 0.550 116.243 115.700 -0.013 0.000 2.575 458 S HA 0.342 4.812 4.470 -0.001 0.000 0.215 458 S C 0.487 175.079 174.600 -0.014 0.000 0.966 458 S CA -0.572 57.620 58.200 -0.013 0.000 0.911 458 S CB -0.665 62.531 63.200 -0.008 0.000 0.780 458 S HN 0.483 nan 8.310 nan 0.000 0.514 459 L N 3.436 124.652 121.223 -0.012 0.000 2.499 459 L HA 0.203 4.543 4.340 -0.001 0.000 0.273 459 L C -2.157 174.695 176.870 -0.031 0.000 1.195 459 L CA -1.512 53.322 54.840 -0.009 0.000 0.882 459 L CB 0.278 42.341 42.059 0.007 0.000 1.133 459 L HN 0.092 nan 8.230 nan 0.000 0.483 460 P HA 0.059 nan 4.420 nan 0.000 0.268 460 P C -0.545 176.704 177.300 -0.086 0.000 1.541 460 P CA -0.203 62.869 63.100 -0.046 0.000 1.093 460 P CB 0.382 32.069 31.700 -0.021 0.000 1.551 461 V N 2.269 122.080 119.914 -0.172 0.000 2.353 461 V HA 0.399 4.518 4.120 -0.001 0.000 0.264 461 V C -1.969 173.873 176.094 -0.419 0.000 1.049 461 V CA -1.928 60.136 62.300 -0.394 0.000 0.896 461 V CB 0.728 32.223 31.823 -0.547 0.000 1.025 461 V HN 0.243 nan 8.190 nan 0.000 0.475 462 P HA 0.395 nan 4.420 nan 0.000 0.227 462 P C -0.697 176.627 177.300 0.041 0.000 1.801 462 P CA 0.019 63.071 63.100 -0.081 0.000 0.971 462 P CB -0.731 31.002 31.700 0.056 0.000 1.653 463 F N 0.000 119.950 119.950 0.000 0.000 2.286 463 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 463 F CA 0.000 57.968 58.000 -0.053 0.000 1.383 463 F CB 0.000 38.940 39.000 -0.099 0.000 1.145 463 F HN 0.000 nan 8.300 nan 0.000 0.574