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 1d2f_1_A DATA FIRST_RESID 30 DATA SEQUENCE LLPFTISDMD FATAPCIIEA LNQRLMHGVF GYSRWKNDEF LAAIAHWFST DATA SEQUENCE QHYTAIDSQT VVYGPSVIYM VSELIRQWSE TGEGVVIHTP AYDAFYKAIE DATA SEQUENCE GNQRTVMPVA LEKQADGWFC DMGKLEAVLA KPECKIMLLC SPQNPTGKVW DATA SEQUENCE TCDELEIMAD LCERHGVRVI SDEIHMDMVW GEQPHIPWSN VARGDWALLT DATA SEQUENCE SGSKSFNIPA LTGAYGIIEN SSSRDAYLSA LKGRDGLSSP SVLALTAHIA DATA SEQUENCE AYQQGAPWLD ALRIYLKDNL TYIADKMNAA FPELNWQIPQ STYLAWLDLR DATA SEQUENCE PLNIDDNALQ KALIEQEKVA IMPGYTYGEE GRGFVRLNAG CPRSKLEKGV DATA SEQUENCE AGLINAIRAV R 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 30 L HA 0.000 nan 4.340 nan 0.000 0.249 30 L C 0.000 176.887 176.870 0.029 0.000 1.165 30 L CA 0.000 54.862 54.840 0.037 0.000 0.813 30 L CB 0.000 42.085 42.059 0.043 0.000 0.961 31 L N 5.923 127.184 121.223 0.063 0.000 2.278 31 L HA 0.688 5.034 4.340 0.010 0.000 0.287 31 L C -2.238 174.637 176.870 0.008 0.000 1.072 31 L CA -1.054 53.800 54.840 0.023 0.000 0.819 31 L CB 0.727 42.870 42.059 0.139 0.000 1.176 31 L HN 0.359 nan 8.230 nan 0.000 0.435 32 P HA 0.253 nan 4.420 nan 0.000 0.294 32 P C -0.975 176.048 177.300 -0.463 0.000 1.294 32 P CA -0.166 62.839 63.100 -0.159 0.000 0.827 32 P CB 0.916 32.551 31.700 -0.108 0.000 0.992 33 F N 0.641 120.611 119.950 0.033 0.000 2.777 33 F HA 0.135 4.666 4.527 0.007 0.000 0.361 33 F C 1.556 177.398 175.800 0.070 0.000 1.254 33 F CA -0.152 57.878 58.000 0.050 0.000 1.181 33 F CB 0.092 39.123 39.000 0.051 0.000 1.082 33 F HN 0.192 nan 8.300 nan 0.000 0.510 34 T N -1.935 112.717 114.554 0.163 0.000 3.040 34 T HA 0.342 4.698 4.350 0.010 0.000 0.250 34 T C 0.560 175.331 174.700 0.118 0.000 1.058 34 T CA 0.140 62.324 62.100 0.140 0.000 0.988 34 T CB -0.261 68.667 68.868 0.101 0.000 0.993 34 T HN 0.254 nan 8.240 nan 0.000 0.519 35 I N -1.536 119.098 120.570 0.106 0.000 2.603 35 I HA 0.595 4.770 4.170 0.010 0.000 0.300 35 I C 0.965 177.178 176.117 0.159 0.000 1.017 35 I CA -1.209 60.157 61.300 0.111 0.000 1.098 35 I CB 1.893 39.937 38.000 0.073 0.000 1.279 35 I HN -0.222 nan 8.210 nan 0.000 0.437 36 S N 1.813 117.615 115.700 0.170 0.000 2.434 36 S HA -0.227 4.249 4.470 0.010 0.000 0.243 36 S C 0.570 175.345 174.600 0.292 0.000 1.045 36 S CA 1.819 60.145 58.200 0.209 0.000 1.019 36 S CB -1.062 62.248 63.200 0.183 0.000 0.811 36 S HN 0.944 nan 8.310 nan 0.000 0.485 37 D N 0.015 120.545 120.400 0.217 0.000 2.506 37 D HA 0.447 5.093 4.640 0.010 0.000 0.272 37 D C 0.159 176.520 176.300 0.101 0.000 1.214 37 D CA -0.613 53.504 54.000 0.195 0.000 1.067 37 D CB 0.336 41.200 40.800 0.107 0.000 1.117 37 D HN 0.105 nan 8.370 nan 0.000 0.578 38 M N -0.818 118.762 119.600 -0.034 0.000 2.753 38 M HA 0.241 4.727 4.480 0.010 0.000 0.299 38 M C -0.194 175.952 176.300 -0.258 0.000 1.219 38 M CA -0.769 54.391 55.300 -0.235 0.000 0.900 38 M CB 1.185 33.631 32.600 -0.256 0.000 1.628 38 M HN 0.183 nan 8.290 nan 0.000 0.502 39 D N 0.157 120.233 120.400 -0.540 0.000 2.363 39 D HA 0.251 4.897 4.640 0.010 0.000 0.214 39 D C -0.523 175.551 176.300 -0.377 0.000 1.093 39 D CA 0.380 54.117 54.000 -0.438 0.000 0.837 39 D CB 0.011 40.529 40.800 -0.470 0.000 0.948 39 D HN 0.225 nan 8.370 nan 0.000 0.507 40 F N 0.896 120.849 119.950 0.006 0.000 2.378 40 F HA 0.558 5.090 4.527 0.009 0.000 0.325 40 F C 1.113 176.968 175.800 0.091 0.000 1.097 40 F CA -1.438 56.592 58.000 0.049 0.000 1.079 40 F CB 0.824 39.868 39.000 0.074 0.000 1.240 40 F HN -0.258 nan 8.300 nan 0.000 0.519 41 A N 1.226 124.238 122.820 0.320 0.000 2.340 41 A HA 0.506 4.831 4.320 0.010 0.000 0.268 41 A C 0.121 177.821 177.584 0.193 0.000 1.100 41 A CA -0.551 51.594 52.037 0.181 0.000 0.803 41 A CB 0.055 19.127 19.000 0.120 0.000 1.043 41 A HN 0.770 nan 8.150 nan 0.000 0.488 42 T N 1.317 115.880 114.554 0.015 0.000 2.640 42 T HA 0.409 4.765 4.350 0.010 0.000 0.316 42 T C 0.926 175.244 174.700 -0.637 0.000 1.036 42 T CA 0.412 62.361 62.100 -0.252 0.000 1.009 42 T CB 0.214 68.954 68.868 -0.215 0.000 1.017 42 T HN 1.192 nan 8.240 nan 0.000 0.530 43 A N 2.465 124.483 122.820 -1.336 0.000 2.511 43 A HA 0.289 4.615 4.320 0.010 0.000 0.242 43 A C -0.722 176.530 177.584 -0.553 0.000 1.069 43 A CA -1.163 50.011 52.037 -1.439 0.000 0.763 43 A CB -0.210 18.119 19.000 -1.119 0.000 1.001 43 A HN 0.620 nan 8.150 nan 0.000 0.498 44 P HA -0.153 nan 4.420 nan 0.000 0.220 44 P C 1.574 178.803 177.300 -0.118 0.000 1.148 44 P CA 1.787 64.801 63.100 -0.144 0.000 0.803 44 P CB -0.452 31.219 31.700 -0.048 0.000 0.782 45 C N -2.083 117.144 119.300 -0.121 0.000 2.432 45 C HA 0.059 4.525 4.460 0.010 0.000 0.280 45 C C 2.719 177.636 174.990 -0.121 0.000 1.353 45 C CA -0.187 58.782 59.018 -0.081 0.000 1.766 45 C CB -2.138 25.579 27.740 -0.039 0.000 1.924 45 C HN 0.053 nan 8.230 nan 0.000 0.509 46 I N 1.111 121.565 120.570 -0.193 0.000 2.233 46 I HA -0.092 4.084 4.170 0.010 0.000 0.243 46 I C 2.774 178.805 176.117 -0.143 0.000 1.093 46 I CA 1.542 62.717 61.300 -0.208 0.000 1.380 46 I CB -0.296 37.524 38.000 -0.299 0.000 1.067 46 I HN 0.250 nan 8.210 nan 0.000 0.413 47 I N 0.723 121.212 120.570 -0.135 0.000 2.127 47 I HA -0.330 3.846 4.170 0.010 0.000 0.241 47 I C 2.616 178.698 176.117 -0.058 0.000 1.075 47 I CA 1.676 62.924 61.300 -0.087 0.000 1.334 47 I CB -0.438 37.515 38.000 -0.077 0.000 1.040 47 I HN 0.312 nan 8.210 nan 0.000 0.405 48 E N 1.246 121.413 120.200 -0.056 0.000 2.160 48 E HA -0.252 4.104 4.350 0.010 0.000 0.195 48 E C 2.174 178.755 176.600 -0.032 0.000 0.991 48 E CA 1.378 57.757 56.400 -0.035 0.000 0.810 48 E CB 0.004 29.687 29.700 -0.029 0.000 0.742 48 E HN 0.504 nan 8.360 nan 0.000 0.466 49 A N 0.651 123.443 122.820 -0.047 0.000 1.929 49 A HA -0.056 4.270 4.320 0.010 0.000 0.216 49 A C 2.137 179.702 177.584 -0.032 0.000 1.176 49 A CA 0.728 52.739 52.037 -0.043 0.000 0.628 49 A CB -0.396 18.567 19.000 -0.062 0.000 0.816 49 A HN 0.293 nan 8.150 nan 0.000 0.444 50 L N -0.507 120.695 121.223 -0.035 0.000 2.072 50 L HA -0.162 4.184 4.340 0.010 0.000 0.205 50 L C 2.487 179.366 176.870 0.015 0.000 1.079 50 L CA 1.572 56.406 54.840 -0.010 0.000 0.752 50 L CB -0.555 41.491 42.059 -0.020 0.000 0.906 50 L HN 0.543 nan 8.230 nan 0.000 0.436 51 N N -0.025 118.677 118.700 0.003 0.000 2.120 51 N HA -0.269 4.477 4.740 0.010 0.000 0.188 51 N C 1.924 177.447 175.510 0.021 0.000 1.024 51 N CA 1.381 54.440 53.050 0.015 0.000 0.852 51 N CB -0.015 38.474 38.487 0.003 0.000 1.003 51 N HN 0.259 nan 8.380 nan 0.000 0.424 52 Q N -0.365 119.439 119.800 0.007 0.000 2.079 52 Q HA -0.156 4.190 4.340 0.010 0.000 0.200 52 Q C 1.986 177.993 176.000 0.011 0.000 0.974 52 Q CA 1.159 56.965 55.803 0.006 0.000 0.840 52 Q CB -0.081 28.653 28.738 -0.006 0.000 0.898 52 Q HN 0.190 nan 8.270 nan 0.000 0.430 53 R N 0.402 120.905 120.500 0.005 0.000 2.148 53 R HA -0.067 4.279 4.340 0.010 0.000 0.227 53 R C 2.054 178.368 176.300 0.023 0.000 1.103 53 R CA 0.804 56.899 56.100 -0.008 0.000 0.983 53 R CB -0.714 29.582 30.300 -0.006 0.000 0.874 53 R HN 0.314 nan 8.270 nan 0.000 0.451 54 L N -0.302 120.971 121.223 0.083 0.000 2.027 54 L HA -0.079 4.267 4.340 0.010 0.000 0.206 54 L C 1.489 178.412 176.870 0.089 0.000 1.074 54 L CA 1.678 56.618 54.840 0.168 0.000 0.745 54 L CB -0.568 41.576 42.059 0.142 0.000 0.898 54 L HN 0.265 nan 8.230 nan 0.000 0.433 55 M N -1.315 118.313 119.600 0.047 0.000 2.629 55 M HA -0.162 4.324 4.480 0.010 0.000 0.257 55 M C 1.948 178.238 176.300 -0.018 0.000 1.071 55 M CA 0.878 56.187 55.300 0.016 0.000 1.077 55 M CB -1.726 30.881 32.600 0.012 0.000 1.423 55 M HN 0.338 nan 8.290 nan 0.000 0.508 56 H N -0.065 118.930 119.070 -0.126 0.000 2.529 56 H HA 0.003 4.564 4.556 0.010 0.000 0.277 56 H C 1.572 176.765 175.328 -0.226 0.000 0.999 56 H CA 1.350 57.296 56.048 -0.170 0.000 1.256 56 H CB 0.367 30.007 29.762 -0.204 0.000 1.402 56 H HN 0.445 nan 8.280 nan 0.000 0.566 57 G N 0.737 109.370 108.800 -0.279 0.000 2.562 57 G HA2 -0.354 3.612 3.960 0.010 0.000 0.241 57 G HA3 -0.354 3.612 3.960 0.010 0.000 0.241 57 G C 0.506 175.167 174.900 -0.398 0.000 1.120 57 G CA 0.691 45.632 45.100 -0.264 0.000 0.673 57 G HN 0.329 nan 8.290 nan 0.000 0.519 58 V N 0.867 120.516 119.914 -0.443 0.000 2.530 58 V HA 0.596 4.722 4.120 0.010 0.000 0.282 58 V C 0.374 176.158 176.094 -0.517 0.000 1.048 58 V CA 0.269 62.397 62.300 -0.287 0.000 0.997 58 V CB 1.110 32.875 31.823 -0.097 0.000 0.987 58 V HN 0.273 nan 8.190 nan 0.000 0.477 59 F N 2.510 122.457 119.950 -0.006 0.000 2.749 59 F HA 0.478 5.011 4.527 0.009 0.000 0.380 59 F C 1.266 177.006 175.800 -0.100 0.000 1.365 59 F CA -0.375 57.600 58.000 -0.040 0.000 1.186 59 F CB 0.591 39.560 39.000 -0.053 0.000 1.080 59 F HN 0.643 nan 8.300 nan 0.000 0.513 60 G N -0.875 107.926 108.800 0.001 0.000 2.611 60 G HA2 0.105 4.071 3.960 0.010 0.000 0.273 60 G HA3 0.105 4.071 3.960 0.010 0.000 0.273 60 G C -0.776 174.079 174.900 -0.074 0.000 1.305 60 G CA -0.310 44.736 45.100 -0.090 0.000 1.010 60 G HN 0.114 nan 8.290 nan 0.000 0.509 61 Y N -0.012 120.292 120.300 0.008 0.000 2.717 61 Y HA 0.266 4.822 4.550 0.010 0.000 0.330 61 Y C 1.162 177.041 175.900 -0.034 0.000 1.217 61 Y CA 0.442 58.535 58.100 -0.012 0.000 1.506 61 Y CB 0.495 38.944 38.460 -0.018 0.000 1.268 61 Y HN 0.234 nan 8.280 nan 0.000 0.561 62 S N 3.114 118.891 115.700 0.128 0.000 2.568 62 S HA 0.715 5.191 4.470 0.010 0.000 0.293 62 S C -0.728 173.855 174.600 -0.028 0.000 1.089 62 S CA -1.142 57.066 58.200 0.014 0.000 0.945 62 S CB 1.711 64.894 63.200 -0.028 0.000 1.077 62 S HN 0.387 nan 8.310 nan 0.000 0.485 63 R N 1.886 122.332 120.500 -0.089 0.000 2.428 63 R HA 0.370 4.715 4.340 0.010 0.000 0.294 63 R C 1.034 177.225 176.300 -0.182 0.000 1.000 63 R CA -0.764 55.234 56.100 -0.170 0.000 0.960 63 R CB 0.330 30.494 30.300 -0.228 0.000 1.076 63 R HN 0.897 nan 8.270 nan 0.000 0.475 64 W N 1.506 122.685 121.300 -0.201 0.000 2.737 64 W HA 0.172 4.838 4.660 0.010 0.000 0.262 64 W C -0.150 176.347 176.519 -0.037 0.000 1.282 64 W CA -0.161 57.026 57.345 -0.263 0.000 1.386 64 W CB 0.173 29.395 29.460 -0.396 0.000 1.099 64 W HN 0.199 nan 8.180 nan 0.000 0.621 65 K N 2.835 122.735 120.400 -0.832 0.000 3.358 65 K HA -0.024 4.302 4.320 0.010 0.000 0.297 65 K C -0.078 176.386 176.600 -0.225 0.000 1.064 65 K CA 0.083 55.956 56.287 -0.689 0.000 1.144 65 K CB -1.198 30.785 32.500 -0.862 0.000 1.289 65 K HN 0.093 nan 8.250 nan 0.000 0.372 66 N N 1.338 120.023 118.700 -0.025 0.000 2.444 66 N HA -0.002 4.744 4.740 0.010 0.000 0.271 66 N C 0.129 175.699 175.510 0.100 0.000 1.069 66 N CA 0.056 53.121 53.050 0.024 0.000 0.965 66 N CB 1.196 39.707 38.487 0.040 0.000 1.092 66 N HN 0.018 nan 8.380 nan 0.000 0.476 67 D N 2.602 123.027 120.400 0.042 0.000 2.104 67 D HA -0.170 4.476 4.640 0.010 0.000 0.194 67 D C 1.213 177.559 176.300 0.076 0.000 0.994 67 D CA 1.646 55.675 54.000 0.048 0.000 0.830 67 D CB 0.297 41.108 40.800 0.019 0.000 0.959 67 D HN 0.693 nan 8.370 nan 0.000 0.452 68 E N -0.505 119.743 120.200 0.079 0.000 2.058 68 E HA -0.204 4.152 4.350 0.010 0.000 0.194 68 E C 1.882 178.569 176.600 0.145 0.000 0.997 68 E CA 0.636 57.089 56.400 0.088 0.000 0.801 68 E CB -0.218 29.524 29.700 0.069 0.000 0.746 68 E HN 0.265 nan 8.360 nan 0.000 0.450 69 F N 1.501 121.463 119.950 0.020 0.000 2.069 69 F HA -0.236 4.296 4.527 0.009 0.000 0.298 69 F C 1.967 177.795 175.800 0.047 0.000 1.113 69 F CA 1.234 59.249 58.000 0.025 0.000 1.214 69 F CB -0.369 38.651 39.000 0.034 0.000 0.978 69 F HN -0.055 nan 8.300 nan 0.000 0.474 70 L N 0.553 121.769 121.223 -0.013 0.000 2.046 70 L HA -0.129 4.217 4.340 0.010 0.000 0.208 70 L C 2.746 179.587 176.870 -0.048 0.000 1.077 70 L CA 1.963 56.741 54.840 -0.103 0.000 0.747 70 L CB -1.885 40.199 42.059 0.043 0.000 0.896 70 L HN 0.272 nan 8.230 nan 0.000 0.432 71 A N -0.889 121.947 122.820 0.027 0.000 1.933 71 A HA -0.107 4.219 4.320 0.010 0.000 0.218 71 A C 2.492 180.150 177.584 0.123 0.000 1.175 71 A CA 1.633 53.712 52.037 0.070 0.000 0.628 71 A CB -0.799 18.240 19.000 0.064 0.000 0.814 71 A HN 0.386 nan 8.150 nan 0.000 0.444 72 A N 0.053 122.940 122.820 0.112 0.000 1.902 72 A HA -0.074 4.252 4.320 0.010 0.000 0.217 72 A C 2.112 179.897 177.584 0.334 0.000 1.181 72 A CA 1.500 53.680 52.037 0.238 0.000 0.623 72 A CB -0.581 18.542 19.000 0.206 0.000 0.818 72 A HN 0.500 nan 8.150 nan 0.000 0.443 73 I N -0.280 120.359 120.570 0.115 0.000 2.179 73 I HA -0.277 3.899 4.170 0.010 0.000 0.242 73 I C 3.010 179.266 176.117 0.233 0.000 1.088 73 I CA 1.073 62.431 61.300 0.098 0.000 1.357 73 I CB -0.439 37.357 38.000 -0.340 0.000 1.051 73 I HN 0.357 nan 8.210 nan 0.000 0.409 74 A N 0.287 123.187 122.820 0.134 0.000 1.883 74 A HA -0.331 3.995 4.320 0.010 0.000 0.217 74 A C 2.207 179.941 177.584 0.250 0.000 1.186 74 A CA 2.340 54.470 52.037 0.156 0.000 0.624 74 A CB -1.107 17.957 19.000 0.107 0.000 0.822 74 A HN 0.563 nan 8.150 nan 0.000 0.444 75 H N -2.089 117.094 119.070 0.188 0.000 2.352 75 H HA -0.197 4.364 4.556 0.009 0.000 0.299 75 H C 1.908 177.381 175.328 0.242 0.000 1.097 75 H CA 2.086 58.254 56.048 0.199 0.000 1.311 75 H CB -0.340 29.544 29.762 0.203 0.000 1.377 75 H HN 0.693 nan 8.280 nan 0.000 0.504 76 W N 0.105 121.393 121.300 -0.020 0.000 2.379 76 W HA -0.226 4.439 4.660 0.008 0.000 0.307 76 W C 1.246 177.693 176.519 -0.119 0.000 1.200 76 W CA 1.204 58.418 57.345 -0.218 0.000 1.297 76 W CB -0.519 28.521 29.460 -0.700 0.000 1.140 76 W HN 0.231 nan 8.180 nan 0.000 0.507 77 F N 1.555 121.513 119.950 0.015 0.000 2.171 77 F HA -0.259 4.275 4.527 0.011 0.000 0.300 77 F C 3.052 178.829 175.800 -0.039 0.000 1.090 77 F CA 2.267 60.261 58.000 -0.010 0.000 1.293 77 F CB -1.078 37.959 39.000 0.061 0.000 1.013 77 F HN -0.140 nan 8.300 nan 0.000 0.486 78 S N -0.961 114.820 115.700 0.134 0.000 2.355 78 S HA -0.179 4.297 4.470 0.010 0.000 0.222 78 S C 1.984 176.584 174.600 -0.000 0.000 1.031 78 S CA 1.577 59.823 58.200 0.078 0.000 0.993 78 S CB -1.252 61.992 63.200 0.073 0.000 0.859 78 S HN 0.433 nan 8.310 nan 0.000 0.453 79 T N -2.242 112.209 114.554 -0.172 0.000 3.107 79 T HA 0.290 4.646 4.350 0.010 0.000 0.249 79 T C 1.435 175.951 174.700 -0.306 0.000 1.096 79 T CA -0.039 61.940 62.100 -0.202 0.000 1.012 79 T CB 0.116 68.785 68.868 -0.331 0.000 0.977 79 T HN 0.358 nan 8.240 nan 0.000 0.527 80 Q N -0.388 119.109 119.800 -0.505 0.000 2.254 80 Q HA 0.170 4.515 4.340 0.010 0.000 0.259 80 Q C 0.352 175.703 176.000 -1.082 0.000 0.815 80 Q CA 0.490 55.814 55.803 -0.798 0.000 0.961 80 Q CB 0.681 28.656 28.738 -1.272 0.000 1.140 80 Q HN 0.700 nan 8.270 nan 0.000 0.502 81 H N -1.223 117.408 119.070 -0.732 0.000 3.052 81 H HA 0.213 4.775 4.556 0.010 0.000 0.257 81 H C -0.875 174.178 175.328 -0.457 0.000 1.193 81 H CA -0.309 55.331 56.048 -0.681 0.000 1.072 81 H CB 0.162 29.671 29.762 -0.421 0.000 1.685 81 H HN 0.122 nan 8.280 nan 0.000 0.630 82 Y N 0.141 120.426 120.300 -0.025 0.000 3.108 82 Y HA -0.291 4.264 4.550 0.009 0.000 0.208 82 Y C -0.445 175.487 175.900 0.054 0.000 1.245 82 Y CA 0.462 58.558 58.100 -0.006 0.000 1.171 82 Y CB -2.369 36.072 38.460 -0.033 0.000 1.331 82 Y HN 0.136 nan 8.280 nan 0.000 0.534 83 T N 0.330 115.010 114.554 0.210 0.000 2.881 83 T HA 0.743 5.099 4.350 0.010 0.000 0.290 83 T C -0.112 174.711 174.700 0.206 0.000 1.000 83 T CA -0.179 62.048 62.100 0.212 0.000 0.978 83 T CB 1.708 70.746 68.868 0.284 0.000 0.997 83 T HN 0.448 nan 8.240 nan 0.000 0.443 84 A N 3.798 126.700 122.820 0.136 0.000 2.274 84 A HA 0.841 5.167 4.320 0.010 0.000 0.309 84 A C 0.003 177.636 177.584 0.082 0.000 1.226 84 A CA -0.703 51.397 52.037 0.105 0.000 0.853 84 A CB -0.203 18.843 19.000 0.077 0.000 1.146 84 A HN 0.920 nan 8.150 nan 0.000 0.518 85 I N -0.950 119.651 120.570 0.053 0.000 2.892 85 I HA 0.631 4.807 4.170 0.010 0.000 0.306 85 I C -0.962 175.170 176.117 0.024 0.000 1.078 85 I CA -0.973 60.334 61.300 0.013 0.000 1.032 85 I CB 2.211 40.130 38.000 -0.135 0.000 1.229 85 I HN 0.410 nan 8.210 nan 0.000 0.435 86 D N 2.697 123.120 120.400 0.038 0.000 2.313 86 D HA 0.284 4.929 4.640 0.010 0.000 0.239 86 D C 0.693 177.011 176.300 0.029 0.000 1.142 86 D CA -0.094 53.931 54.000 0.042 0.000 0.847 86 D CB 1.776 42.611 40.800 0.057 0.000 1.082 86 D HN 0.605 nan 8.370 nan 0.000 0.480 87 S N 2.664 118.382 115.700 0.029 0.000 2.419 87 S HA -0.164 4.312 4.470 0.010 0.000 0.235 87 S C 1.600 176.237 174.600 0.062 0.000 1.019 87 S CA 0.816 59.036 58.200 0.033 0.000 0.982 87 S CB 0.026 63.247 63.200 0.035 0.000 0.789 87 S HN 0.554 nan 8.310 nan 0.000 0.490 88 Q N 0.626 120.460 119.800 0.058 0.000 2.297 88 Q HA -0.024 4.322 4.340 0.010 0.000 0.204 88 Q C 2.257 178.307 176.000 0.084 0.000 0.962 88 Q CA 1.409 57.253 55.803 0.069 0.000 0.879 88 Q CB -1.048 27.721 28.738 0.051 0.000 0.947 88 Q HN 0.796 nan 8.270 nan 0.000 0.462 89 T N -3.376 111.215 114.554 0.062 0.000 3.081 89 T HA 0.186 4.541 4.350 0.010 0.000 0.250 89 T C 0.844 175.570 174.700 0.043 0.000 1.100 89 T CA -0.219 61.902 62.100 0.035 0.000 1.038 89 T CB 0.020 68.882 68.868 -0.010 0.000 0.962 89 T HN -0.145 nan 8.240 nan 0.000 0.516 90 V N 3.002 122.975 119.914 0.097 0.000 2.686 90 V HA 0.568 4.694 4.120 0.010 0.000 0.295 90 V C 0.454 176.684 176.094 0.227 0.000 1.055 90 V CA -0.634 61.742 62.300 0.127 0.000 1.050 90 V CB 1.094 32.987 31.823 0.117 0.000 0.984 90 V HN 0.522 nan 8.190 nan 0.000 0.482 91 V N 2.179 122.141 119.914 0.079 0.000 3.130 91 V HA 0.678 4.803 4.120 0.010 0.000 0.310 91 V C -1.177 174.739 176.094 -0.297 0.000 1.158 91 V CA -1.039 61.159 62.300 -0.170 0.000 1.029 91 V CB 1.868 33.652 31.823 -0.066 0.000 1.057 91 V HN 0.707 nan 8.190 nan 0.000 0.436 92 Y N 0.879 120.618 120.300 -0.935 0.000 2.453 92 Y HA 0.897 5.453 4.550 0.009 0.000 0.326 92 Y C 0.236 175.982 175.900 -0.256 0.000 1.186 92 Y CA 0.244 57.994 58.100 -0.584 0.000 1.200 92 Y CB 1.958 39.805 38.460 -1.022 0.000 1.247 92 Y HN 1.245 nan 8.280 nan 0.000 0.482 93 G N 3.789 111.917 108.800 -1.119 0.000 2.696 93 G HA2 0.429 4.395 3.960 0.010 0.000 0.295 93 G HA3 0.429 4.395 3.960 0.010 0.000 0.295 93 G C -2.900 171.431 174.900 -0.948 0.000 1.398 93 G CA -1.641 43.079 45.100 -0.633 0.000 0.920 93 G HN 0.378 nan 8.290 nan 0.000 0.492 94 P HA 0.038 nan 4.420 nan 0.000 0.217 94 P C 0.754 177.952 177.300 -0.171 0.000 1.151 94 P CA 1.296 64.222 63.100 -0.290 0.000 0.828 94 P CB 0.331 31.864 31.700 -0.278 0.000 0.788 95 S N -4.005 111.639 115.700 -0.092 0.000 2.588 95 S HA 0.278 4.754 4.470 0.010 0.000 0.269 95 S C 0.613 175.220 174.600 0.011 0.000 1.157 95 S CA -0.770 57.421 58.200 -0.016 0.000 0.824 95 S CB 0.909 64.136 63.200 0.045 0.000 1.126 95 S HN -0.232 nan 8.310 nan 0.000 0.464 96 V N 1.361 121.280 119.914 0.007 0.000 2.307 96 V HA -0.100 4.026 4.120 0.010 0.000 0.245 96 V C 2.193 178.309 176.094 0.036 0.000 1.045 96 V CA 1.604 63.901 62.300 -0.005 0.000 1.024 96 V CB -0.820 31.003 31.823 0.001 0.000 0.651 96 V HN 0.830 nan 8.190 nan 0.000 0.449 97 I N -0.464 120.166 120.570 0.100 0.000 2.361 97 I HA -0.254 3.922 4.170 0.010 0.000 0.251 97 I C 2.380 178.528 176.117 0.053 0.000 1.133 97 I CA 1.869 63.236 61.300 0.112 0.000 1.413 97 I CB -1.303 36.794 38.000 0.161 0.000 1.073 97 I HN 0.449 nan 8.210 nan 0.000 0.424 98 Y N 1.640 121.934 120.300 -0.009 0.000 2.224 98 Y HA -0.211 4.345 4.550 0.009 0.000 0.289 98 Y C 2.643 178.532 175.900 -0.018 0.000 1.146 98 Y CA 1.686 59.776 58.100 -0.016 0.000 1.182 98 Y CB -0.238 38.207 38.460 -0.025 0.000 0.983 98 Y HN 0.024 nan 8.280 nan 0.000 0.524 99 M N -1.402 118.139 119.600 -0.097 0.000 2.175 99 M HA -0.185 4.301 4.480 0.010 0.000 0.264 99 M C 1.987 178.111 176.300 -0.293 0.000 1.063 99 M CA 1.327 56.503 55.300 -0.207 0.000 1.119 99 M CB -0.377 32.099 32.600 -0.207 0.000 1.377 99 M HN 0.133 nan 8.290 nan 0.000 0.415 100 V N -0.674 119.112 119.914 -0.213 0.000 2.358 100 V HA -0.245 3.881 4.120 0.010 0.000 0.246 100 V C 2.469 178.417 176.094 -0.242 0.000 1.047 100 V CA 2.086 64.254 62.300 -0.220 0.000 1.035 100 V CB -0.622 31.109 31.823 -0.153 0.000 0.658 100 V HN 0.488 nan 8.190 nan 0.000 0.452 101 S N -0.469 115.092 115.700 -0.232 0.000 2.359 101 S HA -0.265 4.211 4.470 0.010 0.000 0.224 101 S C 2.079 176.505 174.600 -0.291 0.000 1.035 101 S CA 2.099 60.162 58.200 -0.229 0.000 1.018 101 S CB -0.247 62.831 63.200 -0.204 0.000 0.876 101 S HN 0.668 nan 8.310 nan 0.000 0.448 102 E N 1.222 121.168 120.200 -0.424 0.000 2.051 102 E HA -0.060 4.296 4.350 0.010 0.000 0.192 102 E C 2.011 178.413 176.600 -0.330 0.000 0.991 102 E CA 1.427 57.606 56.400 -0.367 0.000 0.799 102 E CB -0.653 28.815 29.700 -0.386 0.000 0.748 102 E HN 0.594 nan 8.360 nan 0.000 0.449 103 L N 0.116 121.083 121.223 -0.427 0.000 2.079 103 L HA -0.171 4.175 4.340 0.010 0.000 0.210 103 L C 2.574 179.158 176.870 -0.476 0.000 1.081 103 L CA 1.088 55.516 54.840 -0.687 0.000 0.752 103 L CB -0.447 41.095 42.059 -0.863 0.000 0.896 103 L HN 0.215 nan 8.230 nan 0.000 0.433 104 I N -0.548 119.857 120.570 -0.275 0.000 2.226 104 I HA -0.283 3.893 4.170 0.010 0.000 0.245 104 I C 2.724 178.781 176.117 -0.099 0.000 1.100 104 I CA 1.258 62.479 61.300 -0.133 0.000 1.374 104 I CB -0.267 37.660 38.000 -0.121 0.000 1.057 104 I HN 0.204 nan 8.210 nan 0.000 0.413 105 R N 0.007 120.425 120.500 -0.137 0.000 2.148 105 R HA -0.183 4.162 4.340 0.010 0.000 0.227 105 R C 2.214 178.467 176.300 -0.077 0.000 1.103 105 R CA 1.088 57.133 56.100 -0.092 0.000 0.983 105 R CB -0.137 30.101 30.300 -0.103 0.000 0.874 105 R HN 0.432 nan 8.270 nan 0.000 0.451 106 Q N -0.962 118.747 119.800 -0.150 0.000 2.163 106 Q HA -0.084 4.262 4.340 0.010 0.000 0.198 106 Q C 0.582 176.627 176.000 0.076 0.000 0.954 106 Q CA 0.797 56.523 55.803 -0.128 0.000 0.851 106 Q CB 0.394 28.931 28.738 -0.335 0.000 0.928 106 Q HN 0.296 nan 8.270 nan 0.000 0.459 107 W N 0.760 122.034 121.300 -0.043 0.000 3.325 107 W HA 0.343 5.008 4.660 0.009 0.000 0.370 107 W C -0.026 176.470 176.519 -0.037 0.000 1.169 107 W CA 0.021 57.342 57.345 -0.039 0.000 1.874 107 W CB -0.391 29.039 29.460 -0.050 0.000 1.076 107 W HN 0.054 nan 8.180 nan 0.000 0.684 108 S N -1.139 114.653 115.700 0.155 0.000 2.611 108 S HA 0.526 5.002 4.470 0.010 0.000 0.268 108 S C -0.883 173.744 174.600 0.045 0.000 1.156 108 S CA -0.902 57.347 58.200 0.082 0.000 0.817 108 S CB 2.820 66.055 63.200 0.058 0.000 1.122 108 S HN -0.128 nan 8.310 nan 0.000 0.466 109 E N 1.138 121.355 120.200 0.029 0.000 2.222 109 E HA 0.420 4.776 4.350 0.010 0.000 0.267 109 E C -0.142 176.464 176.600 0.010 0.000 0.963 109 E CA -0.568 55.843 56.400 0.018 0.000 0.837 109 E CB 1.682 31.392 29.700 0.017 0.000 1.183 109 E HN 0.761 nan 8.360 nan 0.000 0.403 110 T N -0.124 114.434 114.554 0.005 0.000 2.933 110 T HA 0.201 4.557 4.350 0.010 0.000 0.306 110 T C 1.182 175.884 174.700 0.004 0.000 1.045 110 T CA 1.648 63.750 62.100 0.002 0.000 1.143 110 T CB -0.130 68.739 68.868 0.002 0.000 1.003 110 T HN 0.674 nan 8.240 nan 0.000 0.540 111 G N 3.659 112.461 108.800 0.003 0.000 2.268 111 G HA2 -0.201 3.764 3.960 0.010 0.000 0.240 111 G HA3 -0.201 3.764 3.960 0.010 0.000 0.240 111 G C 0.106 175.008 174.900 0.003 0.000 1.010 111 G CA 0.375 45.477 45.100 0.004 0.000 0.618 111 G HN 0.806 nan 8.290 nan 0.000 0.516 112 E N 0.554 120.755 120.200 0.002 0.000 2.397 112 E HA 0.476 4.832 4.350 0.010 0.000 0.254 112 E C 0.871 177.468 176.600 -0.007 0.000 1.231 112 E CA -0.051 56.350 56.400 0.001 0.000 0.954 112 E CB 0.498 30.202 29.700 0.006 0.000 1.024 112 E HN 0.443 nan 8.360 nan 0.000 0.481 113 G N -0.314 108.479 108.800 -0.012 0.000 2.389 113 G HA2 0.468 4.433 3.960 0.010 0.000 0.328 113 G HA3 0.468 4.433 3.960 0.010 0.000 0.328 113 G C -0.996 173.880 174.900 -0.040 0.000 1.133 113 G CA -0.458 44.627 45.100 -0.025 0.000 0.891 113 G HN 0.232 nan 8.290 nan 0.000 0.485 114 V N 1.701 121.579 119.914 -0.060 0.000 2.444 114 V HA 0.337 4.463 4.120 0.010 0.000 0.294 114 V C 0.000 176.024 176.094 -0.116 0.000 1.022 114 V CA -0.708 61.538 62.300 -0.089 0.000 0.850 114 V CB 1.577 33.336 31.823 -0.107 0.000 0.992 114 V HN 0.561 nan 8.190 nan 0.000 0.426 115 V N 6.603 126.436 119.914 -0.135 0.000 2.546 115 V HA 0.585 4.710 4.120 0.010 0.000 0.284 115 V C -0.043 175.930 176.094 -0.202 0.000 1.050 115 V CA -0.262 61.939 62.300 -0.166 0.000 0.981 115 V CB 1.339 33.052 31.823 -0.184 0.000 0.990 115 V HN 0.828 nan 8.190 nan 0.000 0.474 116 I N 0.678 121.128 120.570 -0.200 0.000 2.827 116 I HA 0.614 4.790 4.170 0.010 0.000 0.298 116 I C -1.091 174.954 176.117 -0.121 0.000 1.235 116 I CA -0.978 60.245 61.300 -0.128 0.000 1.021 116 I CB 2.269 40.226 38.000 -0.072 0.000 1.259 116 I HN 0.514 nan 8.210 nan 0.000 0.427 117 H N 2.515 121.632 119.070 0.079 0.000 2.548 117 H HA 0.569 5.131 4.556 0.010 0.000 0.331 117 H C 0.083 175.474 175.328 0.106 0.000 1.093 117 H CA -0.057 56.066 56.048 0.125 0.000 1.367 117 H CB 1.293 31.188 29.762 0.223 0.000 1.455 117 H HN 0.754 nan 8.280 nan 0.000 0.519 118 T N 1.121 115.793 114.554 0.197 0.000 2.918 118 T HA 0.413 4.768 4.350 0.010 0.000 0.286 118 T C -2.759 171.994 174.700 0.088 0.000 1.026 118 T CA -2.540 59.653 62.100 0.154 0.000 1.031 118 T CB 1.840 70.823 68.868 0.191 0.000 1.046 118 T HN 0.321 nan 8.240 nan 0.000 0.479 119 P HA 0.363 nan 4.420 nan 0.000 0.268 119 P C -0.849 176.460 177.300 0.015 0.000 1.205 119 P CA -0.171 62.926 63.100 -0.004 0.000 0.771 119 P CB 0.526 32.049 31.700 -0.294 0.000 0.858 120 A N 3.449 126.406 122.820 0.227 0.000 2.386 120 A HA 0.436 4.762 4.320 0.010 0.000 0.308 120 A C -1.052 176.616 177.584 0.139 0.000 1.128 120 A CA -0.795 51.343 52.037 0.168 0.000 0.789 120 A CB 0.640 19.751 19.000 0.185 0.000 1.325 120 A HN 0.526 nan 8.150 nan 0.000 0.437 121 Y N 1.229 121.333 120.300 -0.328 0.000 2.650 121 Y HA 0.075 4.631 4.550 0.010 0.000 0.331 121 Y C 1.272 176.960 175.900 -0.354 0.000 1.165 121 Y CA 0.323 58.139 58.100 -0.473 0.000 1.473 121 Y CB 0.385 38.324 38.460 -0.869 0.000 1.224 121 Y HN 0.939 nan 8.280 nan 0.000 0.533 122 D N 4.577 124.637 120.400 -0.568 0.000 2.157 122 D HA -0.306 4.340 4.640 0.010 0.000 0.191 122 D C 1.931 178.031 176.300 -0.334 0.000 1.004 122 D CA 2.274 56.027 54.000 -0.411 0.000 0.854 122 D CB -0.065 40.437 40.800 -0.496 0.000 0.936 122 D HN 0.751 nan 8.370 nan 0.000 0.446 123 A N -0.652 121.705 122.820 -0.771 0.000 2.076 123 A HA -0.139 4.187 4.320 0.010 0.000 0.220 123 A C 2.383 180.000 177.584 0.055 0.000 1.160 123 A CA 1.005 52.832 52.037 -0.349 0.000 0.653 123 A CB -1.147 17.628 19.000 -0.374 0.000 0.801 123 A HN 0.463 nan 8.150 nan 0.000 0.455 124 F N -1.971 117.928 119.950 -0.085 0.000 2.171 124 F HA -0.247 4.286 4.527 0.010 0.000 0.300 124 F C 2.266 177.982 175.800 -0.140 0.000 1.090 124 F CA 0.999 58.942 58.000 -0.094 0.000 1.293 124 F CB -0.399 38.512 39.000 -0.148 0.000 1.013 124 F HN 0.290 nan 8.300 nan 0.000 0.486 125 Y N 0.378 120.746 120.300 0.112 0.000 2.145 125 Y HA -0.227 4.328 4.550 0.009 0.000 0.286 125 Y C 2.275 178.183 175.900 0.013 0.000 1.145 125 Y CA 1.181 59.305 58.100 0.040 0.000 1.148 125 Y CB -0.639 37.817 38.460 -0.006 0.000 0.981 125 Y HN -0.194 nan 8.280 nan 0.000 0.507 126 K N 0.379 120.877 120.400 0.163 0.000 2.009 126 K HA -0.181 4.145 4.320 0.010 0.000 0.210 126 K C 2.348 178.981 176.600 0.054 0.000 1.049 126 K CA 1.541 57.872 56.287 0.073 0.000 0.929 126 K CB -0.986 31.529 32.500 0.026 0.000 0.714 126 K HN 0.282 nan 8.250 nan 0.000 0.440 127 A N 0.467 123.322 122.820 0.059 0.000 1.902 127 A HA -0.145 4.181 4.320 0.010 0.000 0.217 127 A C 2.253 179.834 177.584 -0.005 0.000 1.181 127 A CA 1.683 53.735 52.037 0.025 0.000 0.623 127 A CB -0.674 18.348 19.000 0.035 0.000 0.818 127 A HN 0.250 nan 8.150 nan 0.000 0.443 128 I N -0.612 119.955 120.570 -0.004 0.000 2.193 128 I HA -0.211 3.965 4.170 0.010 0.000 0.240 128 I C 2.408 178.525 176.117 -0.000 0.000 1.084 128 I CA 1.570 62.854 61.300 -0.026 0.000 1.365 128 I CB -0.534 37.435 38.000 -0.051 0.000 1.064 128 I HN 0.386 nan 8.210 nan 0.000 0.410 129 E N 0.961 121.179 120.200 0.032 0.000 2.208 129 E HA -0.087 4.268 4.350 0.010 0.000 0.193 129 E C 2.259 178.872 176.600 0.022 0.000 0.988 129 E CA 0.908 57.329 56.400 0.035 0.000 0.828 129 E CB -0.256 29.482 29.700 0.064 0.000 0.763 129 E HN 0.582 nan 8.360 nan 0.000 0.478 130 G N 1.620 110.432 108.800 0.020 0.000 2.448 130 G HA2 -0.207 3.759 3.960 0.010 0.000 0.219 130 G HA3 -0.207 3.759 3.960 0.010 0.000 0.219 130 G C 1.362 176.262 174.900 0.001 0.000 1.127 130 G CA 0.325 45.432 45.100 0.011 0.000 0.766 130 G HN 0.122 nan 8.290 nan 0.000 0.552 131 N N 0.355 119.051 118.700 -0.007 0.000 2.276 131 N HA 0.069 4.814 4.740 0.010 0.000 0.212 131 N C 0.267 175.771 175.510 -0.010 0.000 1.127 131 N CA 0.042 53.083 53.050 -0.016 0.000 0.834 131 N CB 0.461 38.927 38.487 -0.034 0.000 1.014 131 N HN 0.057 nan 8.380 nan 0.000 0.491 132 Q N -0.165 119.635 119.800 -0.001 0.000 2.457 132 Q HA -0.202 4.143 4.340 0.010 0.000 0.283 132 Q C -0.430 175.570 176.000 0.000 0.000 1.234 132 Q CA 0.848 56.653 55.803 0.002 0.000 0.877 132 Q CB -1.411 27.328 28.738 0.002 0.000 1.250 132 Q HN 0.357 nan 8.270 nan 0.000 0.481 133 R N -1.146 119.353 120.500 -0.003 0.000 2.787 133 R HA 0.682 5.027 4.340 0.010 0.000 0.271 133 R C -0.520 175.779 176.300 -0.002 0.000 0.993 133 R CA -0.409 55.687 56.100 -0.007 0.000 0.993 133 R CB 1.331 31.620 30.300 -0.019 0.000 1.155 133 R HN 0.022 nan 8.270 nan 0.000 0.486 134 T N 1.430 115.981 114.554 -0.005 0.000 2.767 134 T HA 0.226 4.581 4.350 0.010 0.000 0.288 134 T C -0.874 173.818 174.700 -0.014 0.000 0.963 134 T CA -0.510 61.590 62.100 0.000 0.000 1.019 134 T CB 1.309 70.179 68.868 0.003 0.000 0.923 134 T HN 0.333 nan 8.240 nan 0.000 0.468 135 V N 6.037 125.948 119.914 -0.004 0.000 2.461 135 V HA 0.510 4.635 4.120 0.010 0.000 0.275 135 V C -0.406 175.676 176.094 -0.020 0.000 1.047 135 V CA -0.439 61.840 62.300 -0.036 0.000 0.955 135 V CB 0.314 32.108 31.823 -0.048 0.000 0.988 135 V HN 0.890 nan 8.190 nan 0.000 0.471 136 M N 10.600 130.170 119.600 -0.049 0.000 2.036 136 M HA 0.445 4.931 4.480 0.010 0.000 0.337 136 M C -2.647 173.619 176.300 -0.056 0.000 1.012 136 M CA -1.634 53.642 55.300 -0.039 0.000 0.962 136 M CB 1.794 34.364 32.600 -0.051 0.000 1.423 136 M HN 0.499 nan 8.290 nan 0.000 0.405 137 P HA 0.299 nan 4.420 nan 0.000 0.284 137 P C -0.895 176.402 177.300 -0.006 0.000 1.253 137 P CA -0.401 62.696 63.100 -0.004 0.000 0.800 137 P CB 1.818 33.561 31.700 0.071 0.000 0.961 138 V N 3.007 122.904 119.914 -0.028 0.000 2.357 138 V HA 0.399 4.525 4.120 0.010 0.000 0.281 138 V C 0.577 176.732 176.094 0.101 0.000 1.015 138 V CA -0.885 61.416 62.300 0.001 0.000 0.827 138 V CB 1.014 32.776 31.823 -0.102 0.000 1.018 138 V HN 0.751 nan 8.190 nan 0.000 0.432 139 A N 6.134 129.037 122.820 0.138 0.000 2.462 139 A HA 0.593 4.918 4.320 0.010 0.000 0.243 139 A C -0.082 177.655 177.584 0.255 0.000 1.076 139 A CA 0.008 52.160 52.037 0.191 0.000 0.773 139 A CB 0.182 19.290 19.000 0.180 0.000 1.010 139 A HN 0.800 nan 8.150 nan 0.000 0.493 140 L N 1.571 122.974 121.223 0.300 0.000 2.399 140 L HA 0.360 4.706 4.340 0.010 0.000 0.266 140 L C 0.390 177.537 176.870 0.461 0.000 1.114 140 L CA -0.159 54.910 54.840 0.381 0.000 0.804 140 L CB 0.947 43.204 42.059 0.330 0.000 1.146 140 L HN 0.752 nan 8.230 nan 0.000 0.451 141 E N 1.776 122.235 120.200 0.431 0.000 2.176 141 E HA 0.273 4.629 4.350 0.010 0.000 0.267 141 E C -0.995 175.683 176.600 0.130 0.000 0.893 141 E CA -0.725 55.853 56.400 0.295 0.000 0.761 141 E CB 2.231 32.066 29.700 0.225 0.000 1.133 141 E HN 0.264 nan 8.360 nan 0.000 0.409 142 K N 3.733 123.999 120.400 -0.224 0.000 2.227 142 K HA 0.169 4.495 4.320 0.010 0.000 0.280 142 K C -0.505 175.930 176.600 -0.276 0.000 1.041 142 K CA -0.052 55.805 56.287 -0.718 0.000 0.905 142 K CB 0.644 32.395 32.500 -1.248 0.000 1.068 142 K HN 0.621 nan 8.250 nan 0.000 0.470 143 Q N 2.864 122.565 119.800 -0.165 0.000 2.943 143 Q HA 0.504 4.850 4.340 0.010 0.000 0.341 143 Q C 0.655 176.643 176.000 -0.020 0.000 0.858 143 Q CA -0.540 55.239 55.803 -0.041 0.000 0.804 143 Q CB 0.363 29.127 28.738 0.043 0.000 1.399 143 Q HN 0.422 nan 8.270 nan 0.000 0.511 144 A N 0.912 123.734 122.820 0.002 0.000 2.261 144 A HA -0.394 3.932 4.320 0.010 0.000 0.271 144 A C 1.285 178.873 177.584 0.007 0.000 2.785 144 A CA 2.818 54.858 52.037 0.006 0.000 1.014 144 A CB -1.825 17.184 19.000 0.015 0.000 0.645 144 A HN 0.884 nan 8.150 nan 0.000 0.482 145 D N -1.981 118.462 120.400 0.073 0.000 2.648 145 D HA 0.323 4.968 4.640 0.010 0.000 0.261 145 D C 1.474 177.738 176.300 -0.060 0.000 1.261 145 D CA 0.968 54.977 54.000 0.015 0.000 1.011 145 D CB -0.226 40.594 40.800 0.034 0.000 1.092 145 D HN 0.548 nan 8.370 nan 0.000 0.417 146 G N -0.496 108.247 108.800 -0.095 0.000 3.019 146 G HA2 0.358 4.324 3.960 0.010 0.000 0.152 146 G HA3 0.358 4.324 3.960 0.010 0.000 0.152 146 G C -1.236 173.372 174.900 -0.487 0.000 1.320 146 G CA -0.476 44.459 45.100 -0.276 0.000 1.013 146 G HN 0.109 nan 8.290 nan 0.000 0.593 147 W N -0.775 120.196 121.300 -0.548 0.000 2.516 147 W HA 0.734 5.398 4.660 0.008 0.000 0.343 147 W C -0.970 175.062 176.519 -0.811 0.000 1.094 147 W CA -0.391 56.701 57.345 -0.422 0.000 1.250 147 W CB 1.214 30.509 29.460 -0.275 0.000 1.308 147 W HN 0.152 nan 8.180 nan 0.000 0.588 148 F N 0.933 120.991 119.950 0.180 0.000 2.626 148 F HA 0.469 5.002 4.527 0.010 0.000 0.311 148 F C -0.524 175.397 175.800 0.203 0.000 1.088 148 F CA -1.232 56.844 58.000 0.128 0.000 0.949 148 F CB 1.276 40.331 39.000 0.091 0.000 1.322 148 F HN 0.209 nan 8.300 nan 0.000 0.461 149 C N 1.965 121.536 119.300 0.452 0.000 2.298 149 C HA 0.497 4.963 4.460 0.010 0.000 0.323 149 C C -0.422 174.769 174.990 0.335 0.000 1.284 149 C CA -0.617 58.663 59.018 0.437 0.000 1.577 149 C CB -0.298 27.797 27.740 0.593 0.000 2.249 149 C HN 0.828 nan 8.230 nan 0.000 0.497 150 D N 5.667 126.221 120.400 0.256 0.000 2.346 150 D HA 0.121 4.767 4.640 0.010 0.000 0.260 150 D C 1.258 177.651 176.300 0.154 0.000 1.252 150 D CA -0.060 54.045 54.000 0.174 0.000 0.895 150 D CB 0.673 41.553 40.800 0.133 0.000 1.097 150 D HN 0.516 nan 8.370 nan 0.000 0.489 151 M N 2.990 122.674 119.600 0.141 0.000 2.358 151 M HA 0.036 4.522 4.480 0.010 0.000 0.264 151 M C 1.997 178.340 176.300 0.071 0.000 1.064 151 M CA 0.777 56.145 55.300 0.114 0.000 1.093 151 M CB -0.997 31.669 32.600 0.109 0.000 1.401 151 M HN 0.559 nan 8.290 nan 0.000 0.440 152 G N -0.267 108.570 108.800 0.062 0.000 2.403 152 G HA2 -0.167 3.798 3.960 0.010 0.000 0.216 152 G HA3 -0.167 3.798 3.960 0.010 0.000 0.216 152 G C 1.874 176.792 174.900 0.030 0.000 1.154 152 G CA 0.348 45.472 45.100 0.041 0.000 0.784 152 G HN 0.253 nan 8.290 nan 0.000 0.538 153 K N 0.130 120.558 120.400 0.045 0.000 2.026 153 K HA 0.011 4.336 4.320 0.010 0.000 0.208 153 K C 2.489 179.098 176.600 0.014 0.000 1.048 153 K CA 0.876 57.185 56.287 0.037 0.000 0.929 153 K CB -0.653 31.885 32.500 0.064 0.000 0.713 153 K HN 0.311 nan 8.250 nan 0.000 0.439 154 L N 1.936 123.175 121.223 0.026 0.000 2.012 154 L HA -0.181 4.165 4.340 0.010 0.000 0.210 154 L C 2.298 179.130 176.870 -0.062 0.000 1.073 154 L CA 2.126 56.959 54.840 -0.012 0.000 0.748 154 L CB -0.602 41.477 42.059 0.033 0.000 0.891 154 L HN 0.305 nan 8.230 nan 0.000 0.431 155 E N -0.668 119.498 120.200 -0.057 0.000 2.106 155 E HA -0.214 4.142 4.350 0.010 0.000 0.192 155 E C 2.089 178.587 176.600 -0.170 0.000 0.984 155 E CA 1.008 57.324 56.400 -0.141 0.000 0.806 155 E CB -0.202 29.453 29.700 -0.074 0.000 0.750 155 E HN 0.614 nan 8.360 nan 0.000 0.458 156 A N 0.500 123.271 122.820 -0.082 0.000 1.940 156 A HA -0.164 4.162 4.320 0.010 0.000 0.219 156 A C 2.356 179.892 177.584 -0.079 0.000 1.176 156 A CA 1.632 53.632 52.037 -0.062 0.000 0.631 156 A CB -0.576 18.411 19.000 -0.022 0.000 0.814 156 A HN 0.249 nan 8.150 nan 0.000 0.446 157 V N -0.344 119.519 119.914 -0.084 0.000 2.407 157 V HA -0.144 3.982 4.120 0.010 0.000 0.245 157 V C 2.455 178.480 176.094 -0.116 0.000 1.041 157 V CA 1.573 63.824 62.300 -0.082 0.000 1.040 157 V CB -0.580 31.198 31.823 -0.074 0.000 0.671 157 V HN 0.556 nan 8.190 nan 0.000 0.455 158 L N 0.341 121.460 121.223 -0.173 0.000 2.201 158 L HA -0.075 4.271 4.340 0.010 0.000 0.212 158 L C 2.539 179.248 176.870 -0.269 0.000 1.105 158 L CA 1.277 55.992 54.840 -0.209 0.000 0.775 158 L CB -0.639 41.274 42.059 -0.243 0.000 0.913 158 L HN 0.348 nan 8.230 nan 0.000 0.440 159 A N -0.958 121.642 122.820 -0.367 0.000 2.168 159 A HA -0.047 4.279 4.320 0.010 0.000 0.215 159 A C 0.961 178.539 177.584 -0.010 0.000 1.152 159 A CA 0.483 52.403 52.037 -0.195 0.000 0.716 159 A CB -0.221 18.698 19.000 -0.134 0.000 0.794 159 A HN 0.080 nan 8.150 nan 0.000 0.465 160 K N 0.331 120.705 120.400 -0.043 0.000 2.489 160 K HA 0.085 4.411 4.320 0.010 0.000 0.278 160 K C -1.869 174.735 176.600 0.006 0.000 1.000 160 K CA -1.325 54.955 56.287 -0.013 0.000 1.012 160 K CB 0.303 32.789 32.500 -0.024 0.000 0.903 160 K HN 0.048 nan 8.250 nan 0.000 0.485 161 P HA -0.188 nan 4.420 nan 0.000 0.215 161 P C 0.927 178.233 177.300 0.010 0.000 1.153 161 P CA 1.231 64.342 63.100 0.018 0.000 0.853 161 P CB 0.229 31.938 31.700 0.016 0.000 0.788 162 E N -0.805 119.398 120.200 0.004 0.000 2.511 162 E HA -0.076 4.280 4.350 0.010 0.000 0.196 162 E C 0.261 176.857 176.600 -0.006 0.000 1.066 162 E CA 0.147 56.547 56.400 0.000 0.000 0.871 162 E CB -1.310 28.391 29.700 0.000 0.000 0.863 162 E HN 0.142 nan 8.360 nan 0.000 0.520 163 C N 2.322 121.615 119.300 -0.012 0.000 2.373 163 C HA 0.307 4.773 4.460 0.010 0.000 0.354 163 C C 1.105 176.084 174.990 -0.018 0.000 1.249 163 C CA -0.506 58.497 59.018 -0.025 0.000 1.784 163 C CB -0.121 27.594 27.740 -0.043 0.000 2.408 163 C HN 0.170 nan 8.230 nan 0.000 0.542 164 K N 4.368 124.758 120.400 -0.017 0.000 2.399 164 K HA 0.389 4.715 4.320 0.010 0.000 0.196 164 K C -0.015 176.574 176.600 -0.017 0.000 1.103 164 K CA 0.636 56.917 56.287 -0.010 0.000 0.986 164 K CB 0.436 32.944 32.500 0.012 0.000 0.952 164 K HN 0.698 nan 8.250 nan 0.000 0.541 165 I N 0.624 121.181 120.570 -0.022 0.000 2.865 165 I HA 0.368 4.544 4.170 0.010 0.000 0.302 165 I C -0.932 175.137 176.117 -0.081 0.000 1.140 165 I CA -0.919 60.366 61.300 -0.026 0.000 1.021 165 I CB 2.610 40.629 38.000 0.032 0.000 1.233 165 I HN -0.166 nan 8.210 nan 0.000 0.427 166 M N 6.249 125.781 119.600 -0.114 0.000 2.134 166 M HA 0.446 4.932 4.480 0.010 0.000 0.310 166 M C -1.855 174.317 176.300 -0.213 0.000 0.966 166 M CA -0.628 54.571 55.300 -0.168 0.000 0.922 166 M CB 1.510 34.001 32.600 -0.182 0.000 1.537 166 M HN 0.533 nan 8.290 nan 0.000 0.424 167 L N 6.709 127.790 121.223 -0.237 0.000 2.312 167 L HA 0.360 4.706 4.340 0.010 0.000 0.287 167 L C -1.224 175.494 176.870 -0.254 0.000 1.091 167 L CA -0.363 54.282 54.840 -0.326 0.000 0.846 167 L CB 0.646 42.402 42.059 -0.505 0.000 1.219 167 L HN 0.704 nan 8.230 nan 0.000 0.439 168 L N 5.958 127.028 121.223 -0.254 0.000 2.265 168 L HA 0.253 4.599 4.340 0.010 0.000 0.289 168 L C -0.657 176.189 176.870 -0.040 0.000 1.033 168 L CA -0.167 54.567 54.840 -0.177 0.000 0.814 168 L CB 1.439 43.245 42.059 -0.422 0.000 1.203 168 L HN 0.688 nan 8.230 nan 0.000 0.423 169 C N 4.772 124.166 119.300 0.157 0.000 2.256 169 C HA 0.508 4.974 4.460 0.010 0.000 0.333 169 C C 0.519 175.697 174.990 0.313 0.000 1.183 169 C CA -0.212 58.967 59.018 0.269 0.000 1.692 169 C CB -0.247 27.712 27.740 0.366 0.000 2.274 169 C HN 0.841 nan 8.230 nan 0.000 0.509 170 S N 7.736 123.608 115.700 0.286 0.000 2.789 170 S HA 0.554 5.030 4.470 0.010 0.000 0.286 170 S C -2.779 172.052 174.600 0.386 0.000 1.153 170 S CA -0.924 57.540 58.200 0.439 0.000 1.084 170 S CB 1.184 64.625 63.200 0.401 0.000 1.036 170 S HN 0.637 nan 8.310 nan 0.000 0.484 171 P HA 0.075 nan 4.420 nan 0.000 0.269 171 P C -0.781 176.551 177.300 0.054 0.000 1.217 171 P CA -0.230 62.949 63.100 0.132 0.000 0.783 171 P CB 0.395 32.076 31.700 -0.032 0.000 0.898 172 Q N 2.338 122.094 119.800 -0.073 0.000 2.267 172 Q HA 0.181 4.527 4.340 0.010 0.000 0.255 172 Q C -0.661 175.146 176.000 -0.321 0.000 0.923 172 Q CA -0.090 55.639 55.803 -0.122 0.000 0.925 172 Q CB 0.473 29.084 28.738 -0.211 0.000 1.195 172 Q HN 0.300 nan 8.270 nan 0.000 0.417 173 N N 4.716 123.225 118.700 -0.318 0.000 2.372 173 N HA 0.360 5.106 4.740 0.010 0.000 0.291 173 N C -2.249 172.999 175.510 -0.437 0.000 1.024 173 N CA -1.990 50.788 53.050 -0.454 0.000 0.873 173 N CB 1.559 39.762 38.487 -0.473 0.000 1.206 173 N HN 0.274 nan 8.380 nan 0.000 0.486 174 P HA 0.066 nan 4.420 nan 0.000 0.261 174 P C 0.746 177.562 177.300 -0.807 0.000 1.268 174 P CA 0.442 63.054 63.100 -0.813 0.000 0.833 174 P CB 0.112 31.097 31.700 -1.192 0.000 1.231 175 T N -3.742 110.261 114.554 -0.919 0.000 2.962 175 T HA 0.052 4.408 4.350 0.010 0.000 0.270 175 T C 1.725 176.165 174.700 -0.434 0.000 1.088 175 T CA 1.375 62.964 62.100 -0.851 0.000 1.127 175 T CB -1.358 66.611 68.868 -1.498 0.000 0.883 175 T HN 0.216 nan 8.240 nan 0.000 0.493 176 G N 1.323 109.884 108.800 -0.398 0.000 2.184 176 G HA2 -0.314 3.652 3.960 0.010 0.000 0.264 176 G HA3 -0.314 3.652 3.960 0.010 0.000 0.264 176 G C 0.029 174.762 174.900 -0.279 0.000 0.975 176 G CA 0.376 45.315 45.100 -0.267 0.000 0.642 176 G HN 0.880 nan 8.290 nan 0.000 0.536 177 K N 0.434 120.594 120.400 -0.400 0.000 2.484 177 K HA 0.347 4.673 4.320 0.010 0.000 0.280 177 K C -0.023 176.287 176.600 -0.484 0.000 1.013 177 K CA 0.003 56.001 56.287 -0.481 0.000 1.029 177 K CB 0.411 32.462 32.500 -0.749 0.000 0.902 177 K HN 0.057 nan 8.250 nan 0.000 0.481 178 V N 6.083 125.779 119.914 -0.363 0.000 2.313 178 V HA 0.166 4.292 4.120 0.010 0.000 0.278 178 V C -0.700 175.280 176.094 -0.191 0.000 1.017 178 V CA -0.842 61.347 62.300 -0.185 0.000 0.823 178 V CB 0.324 32.102 31.823 -0.076 0.000 1.010 178 V HN 0.737 nan 8.190 nan 0.000 0.443 179 W N 3.216 124.500 121.300 -0.028 0.000 2.170 179 W HA 0.354 5.020 4.660 0.011 0.000 0.342 179 W C 1.225 177.731 176.519 -0.021 0.000 1.294 179 W CA -0.062 57.269 57.345 -0.023 0.000 1.246 179 W CB 0.177 29.634 29.460 -0.005 0.000 1.156 179 W HN 0.626 nan 8.180 nan 0.000 0.572 180 T N -0.565 114.122 114.554 0.222 0.000 2.913 180 T HA 0.081 4.437 4.350 0.010 0.000 0.287 180 T C 0.749 175.513 174.700 0.106 0.000 1.008 180 T CA -0.982 61.195 62.100 0.127 0.000 1.067 180 T CB 1.369 70.307 68.868 0.116 0.000 0.996 180 T HN 0.728 nan 8.240 nan 0.000 0.513 181 C N 1.677 121.006 119.300 0.047 0.000 2.421 181 C HA -0.060 4.406 4.460 0.010 0.000 0.296 181 C C 1.803 176.798 174.990 0.007 0.000 1.470 181 C CA 0.881 59.901 59.018 0.004 0.000 1.779 181 C CB -1.905 25.827 27.740 -0.013 0.000 1.715 181 C HN 0.885 nan 8.230 nan 0.000 0.564 182 D N 0.178 120.608 120.400 0.049 0.000 2.202 182 D HA -0.058 4.588 4.640 0.010 0.000 0.214 182 D C 2.115 178.460 176.300 0.076 0.000 0.967 182 D CA 1.043 55.075 54.000 0.053 0.000 0.871 182 D CB -0.413 40.431 40.800 0.073 0.000 1.020 182 D HN 0.649 nan 8.370 nan 0.000 0.474 183 E N 0.744 121.030 120.200 0.142 0.000 2.204 183 E HA -0.089 4.266 4.350 0.010 0.000 0.195 183 E C 2.159 178.826 176.600 0.111 0.000 0.990 183 E CA 0.436 56.950 56.400 0.190 0.000 0.821 183 E CB -0.025 29.904 29.700 0.381 0.000 0.750 183 E HN 0.289 nan 8.360 nan 0.000 0.477 184 L N 0.876 122.138 121.223 0.064 0.000 2.478 184 L HA -0.065 4.281 4.340 0.010 0.000 0.223 184 L C 2.145 178.929 176.870 -0.143 0.000 1.140 184 L CA 0.445 55.268 54.840 -0.029 0.000 0.842 184 L CB -0.153 41.843 42.059 -0.105 0.000 0.953 184 L HN 0.052 nan 8.230 nan 0.000 0.452 185 E N 0.417 120.569 120.200 -0.079 0.000 2.075 185 E HA -0.017 4.339 4.350 0.010 0.000 0.190 185 E C 2.315 178.894 176.600 -0.035 0.000 0.969 185 E CA 0.806 57.150 56.400 -0.094 0.000 0.815 185 E CB 0.117 29.780 29.700 -0.061 0.000 0.776 185 E HN 0.445 nan 8.360 nan 0.000 0.457 186 I N 0.979 121.558 120.570 0.015 0.000 2.142 186 I HA -0.268 3.908 4.170 0.010 0.000 0.240 186 I C 2.643 178.797 176.117 0.061 0.000 1.078 186 I CA 1.143 62.468 61.300 0.043 0.000 1.343 186 I CB -0.257 37.785 38.000 0.070 0.000 1.046 186 I HN 0.061 nan 8.210 nan 0.000 0.405 187 M N 0.219 119.866 119.600 0.080 0.000 2.117 187 M HA -0.176 4.310 4.480 0.010 0.000 0.262 187 M C 2.576 178.982 176.300 0.176 0.000 1.065 187 M CA 1.917 57.284 55.300 0.111 0.000 1.114 187 M CB -0.532 32.124 32.600 0.093 0.000 1.361 187 M HN 0.317 nan 8.290 nan 0.000 0.408 188 A N -0.038 122.896 122.820 0.189 0.000 1.978 188 A HA -0.227 4.099 4.320 0.010 0.000 0.220 188 A C 1.932 179.558 177.584 0.070 0.000 1.170 188 A CA 1.997 54.126 52.037 0.153 0.000 0.636 188 A CB -0.816 18.041 19.000 -0.239 0.000 0.810 188 A HN 0.505 nan 8.150 nan 0.000 0.448 189 D N -0.244 120.176 120.400 0.034 0.000 2.103 189 D HA -0.066 4.580 4.640 0.010 0.000 0.199 189 D C 1.998 178.339 176.300 0.068 0.000 0.978 189 D CA 1.081 55.097 54.000 0.027 0.000 0.829 189 D CB -0.025 40.782 40.800 0.012 0.000 0.981 189 D HN 0.440 nan 8.370 nan 0.000 0.464 190 L N 0.444 121.725 121.223 0.096 0.000 2.083 190 L HA -0.205 4.140 4.340 0.010 0.000 0.209 190 L C 2.925 179.910 176.870 0.192 0.000 1.083 190 L CA 0.797 55.730 54.840 0.155 0.000 0.752 190 L CB -0.326 41.793 42.059 0.100 0.000 0.899 190 L HN 0.211 nan 8.230 nan 0.000 0.433 191 C N -0.570 118.802 119.300 0.120 0.000 2.446 191 C HA -0.148 4.318 4.460 0.010 0.000 0.277 191 C C 2.770 177.808 174.990 0.081 0.000 1.275 191 C CA 0.749 59.823 59.018 0.093 0.000 1.727 191 C CB -0.574 27.211 27.740 0.075 0.000 2.010 191 C HN 0.543 nan 8.230 nan 0.000 0.486 192 E N 0.843 121.083 120.200 0.066 0.000 2.051 192 E HA -0.236 4.120 4.350 0.010 0.000 0.192 192 E C 2.442 179.043 176.600 0.001 0.000 0.991 192 E CA 0.927 57.343 56.400 0.026 0.000 0.799 192 E CB -0.247 29.460 29.700 0.011 0.000 0.748 192 E HN 0.510 nan 8.360 nan 0.000 0.449 193 R N -0.493 120.008 120.500 0.001 0.000 2.091 193 R HA -0.168 4.178 4.340 0.010 0.000 0.238 193 R C 1.047 177.212 176.300 -0.225 0.000 1.136 193 R CA 1.940 57.973 56.100 -0.111 0.000 0.959 193 R CB -0.191 30.036 30.300 -0.123 0.000 0.856 193 R HN 0.306 nan 8.270 nan 0.000 0.437 194 H N -1.480 117.583 119.070 -0.013 0.000 2.537 194 H HA 0.266 4.828 4.556 0.010 0.000 0.295 194 H C 0.206 175.519 175.328 -0.026 0.000 1.054 194 H CA 0.465 56.502 56.048 -0.017 0.000 1.156 194 H CB 0.836 30.589 29.762 -0.015 0.000 1.468 194 H HN 0.493 nan 8.280 nan 0.000 0.551 195 G N 1.104 109.924 108.800 0.035 0.000 2.370 195 G HA2 -0.221 3.744 3.960 0.010 0.000 0.293 195 G HA3 -0.221 3.744 3.960 0.010 0.000 0.293 195 G C -0.530 174.365 174.900 -0.010 0.000 0.992 195 G CA 0.403 45.501 45.100 -0.004 0.000 1.247 195 G HN 0.296 nan 8.290 nan 0.000 0.505 196 V N 2.256 122.161 119.914 -0.014 0.000 2.525 196 V HA 0.468 4.594 4.120 0.010 0.000 0.299 196 V C 0.691 176.732 176.094 -0.087 0.000 1.034 196 V CA -1.074 61.201 62.300 -0.042 0.000 0.863 196 V CB 1.679 33.490 31.823 -0.021 0.000 0.999 196 V HN 0.577 nan 8.190 nan 0.000 0.423 197 R N 2.695 123.101 120.500 -0.157 0.000 2.490 197 R HA 0.635 4.981 4.340 0.010 0.000 0.278 197 R C -0.944 175.271 176.300 -0.142 0.000 1.069 197 R CA -0.467 55.473 56.100 -0.268 0.000 1.080 197 R CB 1.733 31.644 30.300 -0.648 0.000 1.030 197 R HN 0.481 nan 8.270 nan 0.000 0.491 198 V N 4.759 124.601 119.914 -0.120 0.000 2.459 198 V HA 0.413 4.538 4.120 0.010 0.000 0.295 198 V C 0.150 176.197 176.094 -0.079 0.000 1.029 198 V CA -0.621 61.561 62.300 -0.196 0.000 0.874 198 V CB 1.737 33.268 31.823 -0.487 0.000 0.985 198 V HN 0.591 nan 8.190 nan 0.000 0.438 199 I N 3.401 123.886 120.570 -0.142 0.000 2.382 199 I HA 0.358 4.534 4.170 0.010 0.000 0.286 199 I C 0.020 175.992 176.117 -0.242 0.000 1.002 199 I CA -0.097 61.150 61.300 -0.089 0.000 1.135 199 I CB 1.864 39.808 38.000 -0.093 0.000 1.288 199 I HN 0.580 nan 8.210 nan 0.000 0.448 200 S N 4.802 120.383 115.700 -0.198 0.000 2.448 200 S HA 0.192 4.668 4.470 0.010 0.000 0.320 200 S C -0.549 174.039 174.600 -0.021 0.000 1.071 200 S CA -0.615 57.484 58.200 -0.167 0.000 1.113 200 S CB 0.458 63.580 63.200 -0.130 0.000 0.972 200 S HN 0.547 nan 8.310 nan 0.000 0.465 201 D N 4.035 124.434 120.400 -0.003 0.000 2.411 201 D HA 0.172 4.818 4.640 0.010 0.000 0.225 201 D C 0.087 176.449 176.300 0.102 0.000 1.156 201 D CA -0.173 53.863 54.000 0.059 0.000 0.874 201 D CB 0.648 41.541 40.800 0.155 0.000 1.034 201 D HN 0.663 nan 8.370 nan 0.000 0.502 202 E N 3.617 123.863 120.200 0.077 0.000 2.651 202 E HA 0.112 4.468 4.350 0.010 0.000 0.213 202 E C 1.413 177.987 176.600 -0.044 0.000 1.028 202 E CA -0.228 56.211 56.400 0.064 0.000 1.183 202 E CB 0.562 30.346 29.700 0.140 0.000 1.188 202 E HN 0.540 nan 8.360 nan 0.000 0.444 203 I N 0.257 120.790 120.570 -0.061 0.000 2.850 203 I HA -0.236 3.939 4.170 0.010 0.000 0.266 203 I C 0.949 176.887 176.117 -0.298 0.000 1.257 203 I CA 1.329 62.529 61.300 -0.167 0.000 1.465 203 I CB 0.101 37.973 38.000 -0.214 0.000 1.091 203 I HN 0.223 nan 8.210 nan 0.000 0.467 204 H N -0.340 118.659 119.070 -0.119 0.000 2.549 204 H HA 0.116 4.677 4.556 0.009 0.000 0.279 204 H C 1.974 177.176 175.328 -0.210 0.000 1.018 204 H CA 0.328 56.286 56.048 -0.150 0.000 1.175 204 H CB 0.070 29.718 29.762 -0.190 0.000 1.485 204 H HN 0.379 nan 8.280 nan 0.000 0.543 205 M N -0.592 118.877 119.600 -0.218 0.000 2.192 205 M HA -0.202 4.284 4.480 0.010 0.000 0.256 205 M C 0.585 176.840 176.300 -0.074 0.000 1.076 205 M CA 1.896 56.947 55.300 -0.416 0.000 1.075 205 M CB -0.026 32.248 32.600 -0.542 0.000 1.368 205 M HN 0.013 nan 8.290 nan 0.000 0.406 206 D N 0.505 120.921 120.400 0.026 0.000 2.323 206 D HA 0.062 4.708 4.640 0.010 0.000 0.209 206 D C 0.876 177.100 176.300 -0.128 0.000 0.973 206 D CA 0.742 54.777 54.000 0.058 0.000 0.874 206 D CB 0.042 40.994 40.800 0.254 0.000 0.930 206 D HN 0.464 nan 8.370 nan 0.000 0.521 207 M N 1.701 121.163 119.600 -0.230 0.000 3.590 207 M HA 0.201 4.687 4.480 0.010 0.000 0.214 207 M C -0.467 175.170 176.300 -1.104 0.000 1.306 207 M CA -0.412 54.541 55.300 -0.579 0.000 1.479 207 M CB 0.222 32.670 32.600 -0.254 0.000 1.083 207 M HN -0.354 nan 8.290 nan 0.000 0.617 208 V N 0.388 119.787 119.914 -0.858 0.000 2.394 208 V HA 0.245 4.371 4.120 0.010 0.000 0.282 208 V C 0.283 176.062 176.094 -0.524 0.000 1.031 208 V CA -0.303 61.583 62.300 -0.690 0.000 0.881 208 V CB 1.383 33.026 31.823 -0.300 0.000 0.982 208 V HN 0.770 nan 8.190 nan 0.000 0.451 209 W N 2.656 123.953 121.300 -0.005 0.000 2.683 209 W HA 0.353 5.023 4.660 0.017 0.000 0.267 209 W C 1.613 178.122 176.519 -0.018 0.000 1.243 209 W CA 0.081 57.420 57.345 -0.009 0.000 1.380 209 W CB 0.016 29.473 29.460 -0.005 0.000 1.063 209 W HN 0.712 nan 8.180 nan 0.000 0.599 210 G N 0.891 109.780 108.800 0.149 0.000 2.570 210 G HA2 0.068 4.034 3.960 0.010 0.000 0.276 210 G HA3 0.068 4.034 3.960 0.010 0.000 0.276 210 G C 0.243 175.174 174.900 0.051 0.000 1.346 210 G CA -0.158 44.990 45.100 0.081 0.000 1.034 210 G HN 0.022 nan 8.290 nan 0.000 0.512 211 E N -0.965 119.256 120.200 0.036 0.000 2.112 211 E HA -0.015 4.341 4.350 0.010 0.000 0.190 211 E C 1.493 178.108 176.600 0.025 0.000 0.979 211 E CA 0.327 56.745 56.400 0.030 0.000 0.814 211 E CB 0.093 29.807 29.700 0.025 0.000 0.762 211 E HN 0.405 nan 8.360 nan 0.000 0.460 212 Q N 1.956 121.767 119.800 0.018 0.000 2.293 212 Q HA 0.076 4.422 4.340 0.010 0.000 0.263 212 Q C -2.217 173.788 176.000 0.010 0.000 1.002 212 Q CA -1.711 54.102 55.803 0.017 0.000 0.910 212 Q CB 0.665 29.410 28.738 0.012 0.000 1.185 212 Q HN 0.062 nan 8.270 nan 0.000 0.401 213 P HA 0.082 nan 4.420 nan 0.000 0.276 213 P C -0.699 176.607 177.300 0.009 0.000 1.252 213 P CA -0.348 62.749 63.100 -0.006 0.000 0.802 213 P CB 0.787 32.497 31.700 0.016 0.000 1.035 214 H N 1.453 120.475 119.070 -0.080 0.000 2.722 214 H HA 0.229 4.791 4.556 0.010 0.000 0.328 214 H C -0.773 174.582 175.328 0.046 0.000 1.067 214 H CA -0.166 55.885 56.048 0.006 0.000 1.447 214 H CB 0.263 30.046 29.762 0.036 0.000 1.469 214 H HN 0.144 nan 8.280 nan 0.000 0.544 215 I N 8.873 129.141 120.570 -0.502 0.000 2.330 215 I HA 0.203 4.378 4.170 0.010 0.000 0.286 215 I C -2.124 173.769 176.117 -0.372 0.000 1.025 215 I CA -2.079 59.044 61.300 -0.295 0.000 1.197 215 I CB 1.261 39.168 38.000 -0.155 0.000 1.358 215 I HN 0.483 nan 8.210 nan 0.000 0.467 216 P HA -0.120 nan 4.420 nan 0.000 0.266 216 P C 0.610 177.956 177.300 0.077 0.000 1.195 216 P CA -0.129 63.065 63.100 0.157 0.000 0.768 216 P CB 0.519 32.414 31.700 0.324 0.000 0.838 217 W N 3.514 124.804 121.300 -0.016 0.000 2.424 217 W HA -0.183 4.482 4.660 0.009 0.000 0.264 217 W C 1.279 177.596 176.519 -0.338 0.000 1.229 217 W CA 2.026 59.287 57.345 -0.140 0.000 1.208 217 W CB -0.379 29.039 29.460 -0.070 0.000 1.127 217 W HN 0.402 nan 8.180 nan 0.000 0.588 218 S N 0.044 115.600 115.700 -0.240 0.000 2.419 218 S HA -0.253 4.222 4.470 0.010 0.000 0.233 218 S C 1.256 175.556 174.600 -0.501 0.000 1.016 218 S CA 1.542 59.420 58.200 -0.537 0.000 0.974 218 S CB -0.968 62.206 63.200 -0.042 0.000 0.786 218 S HN 0.403 nan 8.310 nan 0.000 0.492 219 N N 1.135 119.621 118.700 -0.356 0.000 2.381 219 N HA 0.000 4.746 4.740 0.010 0.000 0.182 219 N C 1.369 176.627 175.510 -0.419 0.000 1.025 219 N CA 1.192 54.064 53.050 -0.296 0.000 0.888 219 N CB 0.035 38.412 38.487 -0.183 0.000 0.965 219 N HN 0.603 nan 8.380 nan 0.000 0.438 220 V N -3.728 115.773 119.914 -0.688 0.000 3.432 220 V HA 0.544 4.670 4.120 0.010 0.000 0.298 220 V C 0.497 176.034 176.094 -0.928 0.000 1.464 220 V CA -0.638 61.221 62.300 -0.734 0.000 1.046 220 V CB -0.353 30.991 31.823 -0.798 0.000 0.887 220 V HN 0.047 nan 8.190 nan 0.000 0.441 221 A N 1.725 123.851 122.820 -1.157 0.000 2.483 221 A HA 0.697 5.023 4.320 0.010 0.000 0.238 221 A C 0.403 177.615 177.584 -0.620 0.000 1.070 221 A CA 0.189 51.525 52.037 -1.168 0.000 0.770 221 A CB 0.139 17.817 19.000 -2.202 0.000 1.008 221 A HN 0.762 nan 8.150 nan 0.000 0.497 222 R N 0.725 121.052 120.500 -0.289 0.000 2.668 222 R HA 0.600 4.945 4.340 0.010 0.000 0.272 222 R C 0.723 177.138 176.300 0.191 0.000 1.019 222 R CA -0.204 55.880 56.100 -0.028 0.000 0.894 222 R CB 1.611 31.884 30.300 -0.046 0.000 1.228 222 R HN 1.704 nan 8.270 nan 0.000 0.460 223 G N 1.824 110.738 108.800 0.191 0.000 2.629 223 G HA2 -0.302 3.664 3.960 0.010 0.000 0.313 223 G HA3 -0.302 3.664 3.960 0.010 0.000 0.313 223 G C -0.715 174.319 174.900 0.222 0.000 1.217 223 G CA 0.474 45.670 45.100 0.159 0.000 0.994 223 G HN 0.616 nan 8.290 nan 0.000 0.549 224 D N 1.938 122.362 120.400 0.039 0.000 2.317 224 D HA 0.514 5.160 4.640 0.010 0.000 0.234 224 D C 0.371 176.602 176.300 -0.117 0.000 1.112 224 D CA 0.384 54.289 54.000 -0.159 0.000 0.840 224 D CB 0.385 40.880 40.800 -0.509 0.000 1.078 224 D HN 0.590 nan 8.370 nan 0.000 0.486 225 W N 0.880 122.168 121.300 -0.020 0.000 3.025 225 W HA 0.729 5.395 4.660 0.009 0.000 0.343 225 W C -1.927 174.784 176.519 0.322 0.000 1.246 225 W CA -1.271 56.147 57.345 0.122 0.000 1.178 225 W CB 0.918 30.529 29.460 0.251 0.000 1.463 225 W HN 0.323 nan 8.180 nan 0.000 0.578 226 A N 1.954 125.042 122.820 0.446 0.000 2.520 226 A HA 0.747 5.072 4.320 0.010 0.000 0.298 226 A C -2.352 175.400 177.584 0.279 0.000 1.051 226 A CA -0.852 51.287 52.037 0.170 0.000 0.690 226 A CB 2.030 21.042 19.000 0.020 0.000 1.281 226 A HN 0.839 nan 8.150 nan 0.000 0.402 227 L N 2.987 124.358 121.223 0.246 0.000 2.349 227 L HA 0.739 5.085 4.340 0.010 0.000 0.278 227 L C -1.676 175.237 176.870 0.073 0.000 0.996 227 L CA -0.681 54.317 54.840 0.264 0.000 0.825 227 L CB 1.041 43.378 42.059 0.463 0.000 1.243 227 L HN 0.692 nan 8.230 nan 0.000 0.412 228 L N 5.128 126.356 121.223 0.008 0.000 2.333 228 L HA 0.745 5.091 4.340 0.010 0.000 0.280 228 L C -0.366 176.434 176.870 -0.118 0.000 1.004 228 L CA -0.284 54.497 54.840 -0.098 0.000 0.820 228 L CB 1.964 43.952 42.059 -0.119 0.000 1.247 228 L HN 0.628 nan 8.230 nan 0.000 0.416 229 T N -0.579 113.803 114.554 -0.287 0.000 2.618 229 T HA 0.744 5.099 4.350 0.010 0.000 0.293 229 T C -0.739 173.701 174.700 -0.432 0.000 1.093 229 T CA -0.868 61.050 62.100 -0.304 0.000 1.061 229 T CB 1.950 70.680 68.868 -0.230 0.000 1.498 229 T HN 0.587 nan 8.240 nan 0.000 0.494 230 S N -1.942 113.654 115.700 -0.174 0.000 2.645 230 S HA 0.547 5.022 4.470 0.010 0.000 0.268 230 S C 0.137 174.950 174.600 0.355 0.000 1.110 230 S CA -0.008 58.293 58.200 0.168 0.000 0.823 230 S CB 0.672 63.948 63.200 0.128 0.000 1.091 230 S HN 1.405 nan 8.310 nan 0.000 0.466 231 G N 0.959 110.046 108.800 0.478 0.000 3.233 231 G HA2 0.197 4.163 3.960 0.010 0.000 0.234 231 G HA3 0.197 4.163 3.960 0.010 0.000 0.234 231 G C 1.325 176.328 174.900 0.172 0.000 1.137 231 G CA 0.776 45.993 45.100 0.195 0.000 0.763 231 G HN 1.234 nan 8.290 nan 0.000 0.549 232 S N 0.777 116.573 115.700 0.160 0.000 2.382 232 S HA -0.080 4.396 4.470 0.010 0.000 0.228 232 S C 2.112 176.796 174.600 0.139 0.000 1.027 232 S CA 1.333 59.611 58.200 0.130 0.000 0.991 232 S CB -0.048 63.221 63.200 0.116 0.000 0.823 232 S HN 0.150 nan 8.310 nan 0.000 0.469 233 K N 1.429 121.892 120.400 0.104 0.000 2.116 233 K HA 0.296 4.621 4.320 0.010 0.000 0.203 233 K C 2.425 179.151 176.600 0.209 0.000 1.052 233 K CA 1.202 57.557 56.287 0.113 0.000 0.952 233 K CB -0.733 31.696 32.500 -0.119 0.000 0.729 233 K HN 0.411 nan 8.250 nan 0.000 0.446 234 S N -0.162 115.645 115.700 0.179 0.000 2.368 234 S HA -0.030 4.446 4.470 0.010 0.000 0.224 234 S C 1.149 175.747 174.600 -0.004 0.000 1.029 234 S CA 1.133 59.387 58.200 0.091 0.000 0.988 234 S CB -0.204 63.036 63.200 0.065 0.000 0.838 234 S HN 0.225 nan 8.310 nan 0.000 0.462 235 F N 0.966 121.042 119.950 0.210 0.000 2.678 235 F HA 0.398 4.931 4.527 0.011 0.000 0.305 235 F C 0.702 176.584 175.800 0.138 0.000 1.090 235 F CA -0.563 57.562 58.000 0.209 0.000 1.272 235 F CB -0.486 38.479 39.000 -0.058 0.000 1.060 235 F HN 0.011 nan 8.300 nan 0.000 0.576 236 N N 1.684 120.552 118.700 0.279 0.000 2.708 236 N HA -0.220 4.525 4.740 0.010 0.000 0.255 236 N C -0.183 175.403 175.510 0.126 0.000 1.046 236 N CA 0.740 53.907 53.050 0.194 0.000 0.715 236 N CB -1.214 37.401 38.487 0.214 0.000 0.895 236 N HN 0.568 nan 8.380 nan 0.000 0.545 237 I N -2.788 117.844 120.570 0.103 0.000 3.326 237 I HA 0.366 4.542 4.170 0.010 0.000 0.336 237 I C -1.448 174.706 176.117 0.062 0.000 1.543 237 I CA -1.169 60.161 61.300 0.051 0.000 1.013 237 I CB 0.992 38.987 38.000 -0.008 0.000 1.468 237 I HN -0.079 nan 8.210 nan 0.000 0.515 238 P HA -0.154 nan 4.420 nan 0.000 0.218 238 P C 1.500 178.833 177.300 0.056 0.000 1.149 238 P CA 1.725 64.868 63.100 0.073 0.000 0.817 238 P CB 0.324 32.069 31.700 0.076 0.000 0.785 239 A N -1.047 121.799 122.820 0.042 0.000 2.248 239 A HA -0.035 4.291 4.320 0.010 0.000 0.210 239 A C 1.869 179.466 177.584 0.022 0.000 1.174 239 A CA 0.779 52.832 52.037 0.026 0.000 0.750 239 A CB -1.114 17.895 19.000 0.016 0.000 0.780 239 A HN 0.119 nan 8.150 nan 0.000 0.478 240 L N -0.723 120.521 121.223 0.035 0.000 2.590 240 L HA 0.124 4.470 4.340 0.010 0.000 0.227 240 L C 1.210 178.114 176.870 0.058 0.000 1.099 240 L CA 1.596 56.458 54.840 0.036 0.000 0.872 240 L CB -0.670 41.413 42.059 0.040 0.000 1.088 240 L HN 0.694 nan 8.230 nan 0.000 0.479 241 T N -3.284 111.309 114.554 0.065 0.000 0.541 241 T HA 0.175 4.531 4.350 0.010 0.000 0.774 241 T C 0.391 175.151 174.700 0.100 0.000 0.992 241 T CA 0.201 62.341 62.100 0.066 0.000 4.077 241 T CB -1.519 67.378 68.868 0.048 0.000 2.303 241 T HN 1.668 nan 8.240 nan 0.000 0.398 242 G N -0.132 108.700 108.800 0.053 0.000 2.697 242 G HA2 0.623 4.589 3.960 0.010 0.000 0.686 242 G HA3 0.623 4.589 3.960 0.010 0.000 0.686 242 G C -0.358 174.517 174.900 -0.041 0.000 1.179 242 G CA 0.438 45.552 45.100 0.023 0.000 0.765 242 G HN 2.941 nan 8.290 nan 0.000 0.649 243 A N 0.479 123.187 122.820 -0.188 0.000 2.540 243 A HA 1.153 5.479 4.320 0.010 0.000 0.291 243 A C -0.924 176.625 177.584 -0.058 0.000 1.083 243 A CA 0.194 52.170 52.037 -0.101 0.000 0.650 243 A CB 1.163 20.073 19.000 -0.149 0.000 1.292 243 A HN 2.543 nan 8.150 nan 0.000 0.435 244 Y N -2.264 118.002 120.300 -0.058 0.000 2.670 244 Y HA 0.897 5.453 4.550 0.009 0.000 0.334 244 Y C -0.053 175.821 175.900 -0.043 0.000 1.185 244 Y CA -0.639 57.442 58.100 -0.030 0.000 1.053 244 Y CB 0.775 39.309 38.460 0.123 0.000 1.298 244 Y HN 1.823 nan 8.280 nan 0.000 0.459 245 G N 0.437 109.272 108.800 0.059 0.000 2.559 245 G HA2 0.564 4.530 3.960 0.010 0.000 0.291 245 G HA3 0.564 4.530 3.960 0.010 0.000 0.291 245 G C -2.365 172.519 174.900 -0.027 0.000 1.424 245 G CA -1.111 43.959 45.100 -0.050 0.000 0.786 245 G HN 0.761 nan 8.290 nan 0.000 0.485 246 I N 0.949 121.484 120.570 -0.058 0.000 2.389 246 I HA 0.433 4.609 4.170 0.010 0.000 0.288 246 I C -0.533 175.401 176.117 -0.306 0.000 0.999 246 I CA -0.567 60.657 61.300 -0.127 0.000 1.129 246 I CB 1.679 39.658 38.000 -0.035 0.000 1.288 246 I HN 0.164 nan 8.210 nan 0.000 0.444 247 I N 5.478 125.851 120.570 -0.329 0.000 2.389 247 I HA 0.313 4.489 4.170 0.010 0.000 0.288 247 I C -0.305 175.564 176.117 -0.414 0.000 0.999 247 I CA -0.618 60.465 61.300 -0.361 0.000 1.129 247 I CB 1.935 39.769 38.000 -0.276 0.000 1.288 247 I HN 0.477 nan 8.210 nan 0.000 0.444 248 E N 5.772 125.576 120.200 -0.660 0.000 2.191 248 E HA 0.383 4.739 4.350 0.010 0.000 0.278 248 E C -0.651 175.824 176.600 -0.207 0.000 0.972 248 E CA -0.403 55.654 56.400 -0.572 0.000 0.804 248 E CB 0.932 29.975 29.700 -1.096 0.000 1.110 248 E HN 0.517 nan 8.360 nan 0.000 0.394 249 N N 2.771 121.421 118.700 -0.085 0.000 2.799 249 N HA -0.163 4.582 4.740 0.010 0.000 0.268 249 N C -0.070 175.459 175.510 0.032 0.000 1.206 249 N CA 0.902 53.954 53.050 0.002 0.000 0.721 249 N CB -1.088 37.410 38.487 0.018 0.000 1.012 249 N HN 0.410 nan 8.380 nan 0.000 0.526 250 S N 0.845 116.563 115.700 0.029 0.000 2.574 250 S HA -0.349 4.127 4.470 0.010 0.000 0.307 250 S C 1.654 176.288 174.600 0.056 0.000 1.244 250 S CA 2.259 60.484 58.200 0.042 0.000 1.144 250 S CB -0.508 62.715 63.200 0.039 0.000 1.130 250 S HN 0.758 nan 8.310 nan 0.000 0.444 251 S N 0.640 116.376 115.700 0.061 0.000 2.344 251 S HA -0.092 4.384 4.470 0.010 0.000 0.217 251 S C 2.227 176.887 174.600 0.101 0.000 1.033 251 S CA 1.456 59.701 58.200 0.075 0.000 1.017 251 S CB -0.562 62.683 63.200 0.074 0.000 0.941 251 S HN 0.579 nan 8.310 nan 0.000 0.430 252 S N 0.897 116.684 115.700 0.144 0.000 2.370 252 S HA -0.131 4.345 4.470 0.010 0.000 0.226 252 S C 1.925 176.587 174.600 0.104 0.000 1.033 252 S CA 1.163 59.476 58.200 0.188 0.000 1.011 252 S CB -0.298 63.142 63.200 0.400 0.000 0.852 252 S HN 0.405 nan 8.310 nan 0.000 0.457 253 R N 1.074 121.623 120.500 0.080 0.000 2.073 253 R HA -0.131 4.215 4.340 0.010 0.000 0.234 253 R C 1.503 177.890 176.300 0.145 0.000 1.134 253 R CA 1.848 58.000 56.100 0.087 0.000 0.952 253 R CB -0.314 30.020 30.300 0.058 0.000 0.850 253 R HN 0.289 nan 8.270 nan 0.000 0.433 254 D N 0.250 120.715 120.400 0.108 0.000 2.117 254 D HA -0.124 4.522 4.640 0.010 0.000 0.197 254 D C 1.752 178.098 176.300 0.077 0.000 0.987 254 D CA 1.451 55.508 54.000 0.096 0.000 0.829 254 D CB -0.285 40.557 40.800 0.069 0.000 0.961 254 D HN 0.390 nan 8.370 nan 0.000 0.460 255 A N 0.446 123.309 122.820 0.072 0.000 1.908 255 A HA -0.235 4.091 4.320 0.010 0.000 0.218 255 A C 2.206 179.805 177.584 0.025 0.000 1.181 255 A CA 1.457 53.520 52.037 0.042 0.000 0.627 255 A CB -1.104 17.923 19.000 0.045 0.000 0.818 255 A HN 0.367 nan 8.150 nan 0.000 0.445 256 Y N 0.494 120.756 120.300 -0.063 0.000 2.145 256 Y HA -0.161 4.395 4.550 0.010 0.000 0.286 256 Y C 1.905 177.794 175.900 -0.017 0.000 1.145 256 Y CA 1.865 59.911 58.100 -0.090 0.000 1.148 256 Y CB -0.352 38.024 38.460 -0.140 0.000 0.981 256 Y HN 0.205 nan 8.280 nan 0.000 0.507 257 L N -0.020 121.162 121.223 -0.068 0.000 2.046 257 L HA -0.211 4.135 4.340 0.010 0.000 0.208 257 L C 2.730 179.539 176.870 -0.102 0.000 1.077 257 L CA 1.714 56.498 54.840 -0.093 0.000 0.747 257 L CB -0.839 41.303 42.059 0.140 0.000 0.896 257 L HN 0.421 nan 8.230 nan 0.000 0.432 258 S N -0.439 115.228 115.700 -0.055 0.000 2.481 258 S HA -0.024 4.452 4.470 0.010 0.000 0.231 258 S C 1.966 176.522 174.600 -0.072 0.000 0.996 258 S CA 0.611 58.786 58.200 -0.042 0.000 0.942 258 S CB -0.064 63.127 63.200 -0.015 0.000 0.768 258 S HN 0.332 nan 8.310 nan 0.000 0.520 259 A N 1.498 124.243 122.820 -0.124 0.000 1.935 259 A HA 0.312 4.637 4.320 0.010 0.000 0.214 259 A C 2.101 179.611 177.584 -0.122 0.000 1.178 259 A CA 0.943 52.913 52.037 -0.112 0.000 0.640 259 A CB -0.710 18.214 19.000 -0.127 0.000 0.825 259 A HN 0.503 nan 8.150 nan 0.000 0.447 260 L N -0.195 120.877 121.223 -0.252 0.000 2.027 260 L HA -0.094 4.252 4.340 0.010 0.000 0.206 260 L C 2.241 179.048 176.870 -0.106 0.000 1.074 260 L CA 2.529 57.239 54.840 -0.218 0.000 0.745 260 L CB -0.306 41.494 42.059 -0.432 0.000 0.898 260 L HN 0.326 nan 8.230 nan 0.000 0.433 261 K N -0.769 119.586 120.400 -0.075 0.000 2.099 261 K HA 0.050 4.376 4.320 0.010 0.000 0.203 261 K C 1.861 178.440 176.600 -0.035 0.000 1.047 261 K CA 1.195 57.465 56.287 -0.028 0.000 0.963 261 K CB -0.471 32.037 32.500 0.013 0.000 0.759 261 K HN 0.422 nan 8.250 nan 0.000 0.451 262 G N 1.420 110.199 108.800 -0.036 0.000 2.499 262 G HA2 -0.191 3.774 3.960 0.010 0.000 0.213 262 G HA3 -0.191 3.774 3.960 0.010 0.000 0.213 262 G C 1.784 176.668 174.900 -0.028 0.000 1.230 262 G CA 0.413 45.495 45.100 -0.030 0.000 0.813 262 G HN 0.304 nan 8.290 nan 0.000 0.542 263 R N 0.127 120.610 120.500 -0.028 0.000 2.070 263 R HA -0.070 4.275 4.340 0.010 0.000 0.233 263 R C 1.441 177.734 176.300 -0.012 0.000 1.137 263 R CA 1.812 57.901 56.100 -0.018 0.000 0.945 263 R CB -0.141 30.148 30.300 -0.017 0.000 0.845 263 R HN 0.199 nan 8.270 nan 0.000 0.430 264 D N -1.297 119.095 120.400 -0.013 0.000 2.349 264 D HA 0.116 4.761 4.640 0.010 0.000 0.214 264 D C 0.460 176.736 176.300 -0.040 0.000 1.063 264 D CA 0.788 54.780 54.000 -0.014 0.000 0.847 264 D CB 0.643 41.451 40.800 0.014 0.000 0.933 264 D HN 0.477 nan 8.370 nan 0.000 0.513 265 G N 1.560 110.336 108.800 -0.040 0.000 2.366 265 G HA2 -0.277 3.689 3.960 0.010 0.000 0.299 265 G HA3 -0.277 3.689 3.960 0.010 0.000 0.299 265 G C 0.550 175.423 174.900 -0.045 0.000 1.020 265 G CA 0.222 45.299 45.100 -0.038 0.000 1.026 265 G HN 0.420 nan 8.290 nan 0.000 0.512 266 L N 0.280 121.465 121.223 -0.064 0.000 3.122 266 L HA 0.185 4.530 4.340 0.010 0.000 0.274 266 L C 2.309 179.184 176.870 0.008 0.000 1.222 266 L CA 0.623 55.422 54.840 -0.068 0.000 1.028 266 L CB 0.436 42.371 42.059 -0.207 0.000 1.386 266 L HN 0.403 nan 8.230 nan 0.000 0.578 267 S N -1.728 113.989 115.700 0.028 0.000 2.447 267 S HA -0.084 4.392 4.470 0.010 0.000 0.233 267 S C 1.240 175.911 174.600 0.118 0.000 1.006 267 S CA 0.378 58.646 58.200 0.114 0.000 0.957 267 S CB -0.136 63.138 63.200 0.125 0.000 0.773 267 S HN 0.297 nan 8.310 nan 0.000 0.507 268 S N 4.521 120.253 115.700 0.054 0.000 2.430 268 S HA 0.391 4.867 4.470 0.010 0.000 0.282 268 S C -1.969 172.627 174.600 -0.007 0.000 1.186 268 S CA -1.453 56.779 58.200 0.053 0.000 1.060 268 S CB 0.190 63.470 63.200 0.133 0.000 0.966 268 S HN 0.431 nan 8.310 nan 0.000 0.501 269 P HA 0.300 nan 4.420 nan 0.000 0.281 269 P C -0.934 176.282 177.300 -0.140 0.000 1.264 269 P CA -0.715 62.174 63.100 -0.351 0.000 0.824 269 P CB 0.973 32.081 31.700 -0.986 0.000 1.092 270 S N 0.059 115.720 115.700 -0.065 0.000 2.430 270 S HA 0.054 4.529 4.470 0.010 0.000 0.282 270 S C 1.251 175.815 174.600 -0.059 0.000 1.186 270 S CA -0.657 57.529 58.200 -0.024 0.000 1.060 270 S CB 0.447 63.655 63.200 0.014 0.000 0.966 270 S HN 0.339 nan 8.310 nan 0.000 0.501 271 V N 4.754 124.649 119.914 -0.031 0.000 2.546 271 V HA -0.160 3.966 4.120 0.010 0.000 0.254 271 V C 1.779 177.859 176.094 -0.024 0.000 1.076 271 V CA 1.849 64.125 62.300 -0.040 0.000 1.087 271 V CB -0.682 31.153 31.823 0.021 0.000 0.674 271 V HN 0.964 nan 8.190 nan 0.000 0.470 272 L N -0.475 120.758 121.223 0.016 0.000 2.240 272 L HA 0.006 4.352 4.340 0.010 0.000 0.211 272 L C 2.676 179.550 176.870 0.007 0.000 1.106 272 L CA 1.138 55.990 54.840 0.019 0.000 0.793 272 L CB -0.734 41.343 42.059 0.031 0.000 0.927 272 L HN 0.408 nan 8.230 nan 0.000 0.446 273 A N 0.360 123.188 122.820 0.012 0.000 1.898 273 A HA -0.123 4.203 4.320 0.010 0.000 0.216 273 A C 2.237 179.858 177.584 0.061 0.000 1.181 273 A CA 1.147 53.229 52.037 0.075 0.000 0.620 273 A CB -0.494 18.563 19.000 0.094 0.000 0.819 273 A HN 0.320 nan 8.150 nan 0.000 0.442 274 L N -0.851 120.298 121.223 -0.122 0.000 2.017 274 L HA -0.161 4.185 4.340 0.010 0.000 0.208 274 L C 2.804 179.653 176.870 -0.035 0.000 1.073 274 L CA 1.838 56.525 54.840 -0.255 0.000 0.745 274 L CB -1.135 40.677 42.059 -0.411 0.000 0.894 274 L HN 0.325 nan 8.230 nan 0.000 0.432 275 T N 0.082 114.612 114.554 -0.041 0.000 2.720 275 T HA -0.211 4.145 4.350 0.010 0.000 0.268 275 T C 1.996 176.666 174.700 -0.050 0.000 1.037 275 T CA 1.444 63.525 62.100 -0.030 0.000 1.144 275 T CB -0.255 68.594 68.868 -0.032 0.000 0.864 275 T HN 0.461 nan 8.240 nan 0.000 0.444 276 A N 0.997 123.785 122.820 -0.053 0.000 1.902 276 A HA -0.163 4.162 4.320 0.010 0.000 0.217 276 A C 1.983 179.387 177.584 -0.299 0.000 1.181 276 A CA 1.901 53.843 52.037 -0.158 0.000 0.623 276 A CB -0.879 18.041 19.000 -0.134 0.000 0.818 276 A HN 0.565 nan 8.150 nan 0.000 0.443 277 H N -0.279 118.624 119.070 -0.279 0.000 2.321 277 H HA 0.001 4.564 4.556 0.010 0.000 0.300 277 H C 1.929 176.973 175.328 -0.474 0.000 1.087 277 H CA 1.798 57.547 56.048 -0.499 0.000 1.319 277 H CB -0.247 29.373 29.762 -0.237 0.000 1.379 277 H HN 0.454 nan 8.280 nan 0.000 0.501 278 I N 0.062 120.609 120.570 -0.037 0.000 2.163 278 I HA -0.313 3.863 4.170 0.010 0.000 0.243 278 I C 2.545 178.621 176.117 -0.068 0.000 1.085 278 I CA 1.227 62.528 61.300 0.003 0.000 1.347 278 I CB -0.374 37.661 38.000 0.059 0.000 1.044 278 I HN 0.317 nan 8.210 nan 0.000 0.408 279 A N 0.439 123.178 122.820 -0.135 0.000 1.969 279 A HA -0.027 4.299 4.320 0.010 0.000 0.218 279 A C 2.493 179.943 177.584 -0.223 0.000 1.169 279 A CA 1.545 53.498 52.037 -0.141 0.000 0.635 279 A CB -0.583 18.328 19.000 -0.150 0.000 0.810 279 A HN 0.437 nan 8.150 nan 0.000 0.445 280 A N -1.134 121.398 122.820 -0.479 0.000 1.854 280 A HA -0.043 4.282 4.320 0.010 0.000 0.214 280 A C 2.090 179.467 177.584 -0.345 0.000 1.192 280 A CA 1.284 52.825 52.037 -0.827 0.000 0.611 280 A CB -0.798 17.150 19.000 -1.754 0.000 0.832 280 A HN 0.646 nan 8.150 nan 0.000 0.442 281 Y N -0.916 119.142 120.300 -0.402 0.000 2.439 281 Y HA -0.126 4.429 4.550 0.009 0.000 0.292 281 Y C 2.636 178.734 175.900 0.331 0.000 1.130 281 Y CA 0.570 58.612 58.100 -0.096 0.000 1.254 281 Y CB 0.175 38.607 38.460 -0.046 0.000 1.000 281 Y HN 0.336 nan 8.280 nan 0.000 0.554 282 Q N -0.337 119.645 119.800 0.302 0.000 2.339 282 Q HA -0.006 4.340 4.340 0.010 0.000 0.205 282 Q C 1.007 177.132 176.000 0.209 0.000 0.925 282 Q CA 0.880 56.816 55.803 0.223 0.000 0.898 282 Q CB 0.518 29.305 28.738 0.082 0.000 1.013 282 Q HN 0.625 nan 8.270 nan 0.000 0.504 283 Q N -1.716 118.197 119.800 0.188 0.000 2.081 283 Q HA 0.216 4.562 4.340 0.010 0.000 0.220 283 Q C 1.249 177.394 176.000 0.242 0.000 0.775 283 Q CA 0.350 56.261 55.803 0.180 0.000 0.983 283 Q CB 0.999 29.793 28.738 0.094 0.000 1.188 283 Q HN 0.234 nan 8.270 nan 0.000 0.458 284 G N 0.670 109.653 108.800 0.306 0.000 2.813 284 G HA2 0.061 4.027 3.960 0.010 0.000 0.209 284 G HA3 0.061 4.027 3.960 0.010 0.000 0.209 284 G C 1.309 176.619 174.900 0.684 0.000 1.150 284 G CA 0.706 46.105 45.100 0.497 0.000 0.785 284 G HN 0.320 nan 8.290 nan 0.000 0.535 285 A N 2.082 125.263 122.820 0.602 0.000 1.873 285 A HA -0.028 4.298 4.320 0.010 0.000 0.218 285 A C 0.713 178.509 177.584 0.353 0.000 1.193 285 A CA 1.912 54.250 52.037 0.501 0.000 0.629 285 A CB -1.209 18.012 19.000 0.369 0.000 0.826 285 A HN 0.356 nan 8.150 nan 0.000 0.447 286 P HA -0.175 nan 4.420 nan 0.000 0.216 286 P C 1.317 178.764 177.300 0.245 0.000 1.150 286 P CA 1.351 64.587 63.100 0.227 0.000 0.837 286 P CB -0.156 31.667 31.700 0.205 0.000 0.786 287 W N -0.050 121.336 121.300 0.143 0.000 2.409 287 W HA -0.057 4.611 4.660 0.014 0.000 0.299 287 W C 1.907 178.467 176.519 0.069 0.000 1.203 287 W CA 0.642 58.048 57.345 0.102 0.000 1.298 287 W CB -0.878 28.668 29.460 0.144 0.000 1.127 287 W HN -0.202 nan 8.180 nan 0.000 0.528 288 L N 1.021 122.443 121.223 0.332 0.000 2.131 288 L HA -0.170 4.176 4.340 0.010 0.000 0.210 288 L C 1.819 178.660 176.870 -0.049 0.000 1.092 288 L CA 2.221 57.089 54.840 0.047 0.000 0.759 288 L CB -1.022 41.174 42.059 0.229 0.000 0.903 288 L HN -0.104 nan 8.230 nan 0.000 0.435 289 D N -0.281 120.141 120.400 0.038 0.000 2.117 289 D HA -0.106 4.539 4.640 0.010 0.000 0.198 289 D C 2.162 178.431 176.300 -0.052 0.000 0.982 289 D CA 1.428 55.439 54.000 0.018 0.000 0.828 289 D CB 0.013 40.845 40.800 0.053 0.000 0.967 289 D HN 0.478 nan 8.370 nan 0.000 0.464 290 A N 0.716 123.463 122.820 -0.123 0.000 1.969 290 A HA -0.127 4.198 4.320 0.010 0.000 0.218 290 A C 2.125 179.547 177.584 -0.270 0.000 1.169 290 A CA 0.829 52.761 52.037 -0.175 0.000 0.635 290 A CB -0.512 18.363 19.000 -0.208 0.000 0.810 290 A HN 0.230 nan 8.150 nan 0.000 0.445 291 L N -0.217 120.731 121.223 -0.458 0.000 2.027 291 L HA -0.050 4.295 4.340 0.010 0.000 0.206 291 L C 2.352 179.130 176.870 -0.153 0.000 1.074 291 L CA 1.841 56.382 54.840 -0.498 0.000 0.745 291 L CB -0.711 40.848 42.059 -0.833 0.000 0.898 291 L HN 0.337 nan 8.230 nan 0.000 0.433 292 R N -0.421 120.065 120.500 -0.022 0.000 2.096 292 R HA -0.187 4.159 4.340 0.010 0.000 0.240 292 R C 2.294 178.620 176.300 0.043 0.000 1.139 292 R CA 2.251 58.491 56.100 0.233 0.000 0.952 292 R CB -0.576 29.906 30.300 0.302 0.000 0.854 292 R HN 0.409 nan 8.270 nan 0.000 0.436 293 I N -0.865 119.701 120.570 -0.006 0.000 2.179 293 I HA -0.322 3.854 4.170 0.010 0.000 0.242 293 I C 2.171 178.230 176.117 -0.097 0.000 1.088 293 I CA 1.337 62.605 61.300 -0.053 0.000 1.357 293 I CB -0.314 37.672 38.000 -0.025 0.000 1.051 293 I HN 0.184 nan 8.210 nan 0.000 0.409 294 Y N 1.402 121.587 120.300 -0.192 0.000 2.181 294 Y HA -0.239 4.315 4.550 0.006 0.000 0.288 294 Y C 2.341 178.132 175.900 -0.183 0.000 1.146 294 Y CA 1.641 59.625 58.100 -0.194 0.000 1.164 294 Y CB -0.106 38.193 38.460 -0.269 0.000 0.982 294 Y HN 0.027 nan 8.280 nan 0.000 0.515 295 L N -0.000 121.184 121.223 -0.064 0.000 2.056 295 L HA -0.220 4.125 4.340 0.010 0.000 0.207 295 L C 2.565 179.174 176.870 -0.434 0.000 1.078 295 L CA 1.741 56.504 54.840 -0.127 0.000 0.749 295 L CB -0.564 41.505 42.059 0.017 0.000 0.901 295 L HN 0.132 nan 8.230 nan 0.000 0.433 296 K N 0.188 120.162 120.400 -0.710 0.000 2.063 296 K HA -0.219 4.106 4.320 0.010 0.000 0.208 296 K C 1.604 177.965 176.600 -0.398 0.000 1.048 296 K CA 1.897 57.701 56.287 -0.804 0.000 0.928 296 K CB 0.031 32.145 32.500 -0.644 0.000 0.713 296 K HN 0.232 nan 8.250 nan 0.000 0.442 297 D N 0.268 120.487 120.400 -0.300 0.000 2.144 297 D HA -0.112 4.533 4.640 0.010 0.000 0.200 297 D C 1.576 177.779 176.300 -0.162 0.000 0.978 297 D CA 0.926 54.801 54.000 -0.209 0.000 0.833 297 D CB -0.346 40.315 40.800 -0.232 0.000 0.961 297 D HN 0.226 nan 8.370 nan 0.000 0.470 298 N N 0.031 118.595 118.700 -0.227 0.000 2.084 298 N HA -0.100 4.646 4.740 0.010 0.000 0.190 298 N C 1.551 177.091 175.510 0.050 0.000 1.030 298 N CA 0.428 53.411 53.050 -0.112 0.000 0.849 298 N CB -0.265 38.165 38.487 -0.094 0.000 1.012 298 N HN 0.024 nan 8.380 nan 0.000 0.423 299 L N 0.742 121.963 121.223 -0.003 0.000 2.017 299 L HA -0.111 4.234 4.340 0.010 0.000 0.208 299 L C 2.105 179.071 176.870 0.160 0.000 1.073 299 L CA 1.665 56.571 54.840 0.110 0.000 0.745 299 L CB -1.415 40.628 42.059 -0.027 0.000 0.894 299 L HN 0.204 nan 8.230 nan 0.000 0.432 300 T N -1.708 112.869 114.554 0.038 0.000 2.720 300 T HA -0.288 4.068 4.350 0.010 0.000 0.268 300 T C 1.754 176.519 174.700 0.109 0.000 1.037 300 T CA 1.725 63.857 62.100 0.053 0.000 1.144 300 T CB -0.508 68.352 68.868 -0.014 0.000 0.864 300 T HN 0.374 nan 8.240 nan 0.000 0.444 301 Y N 1.706 121.999 120.300 -0.011 0.000 2.151 301 Y HA -0.187 4.365 4.550 0.003 0.000 0.284 301 Y C 1.995 177.910 175.900 0.025 0.000 1.166 301 Y CA 1.165 59.259 58.100 -0.009 0.000 1.163 301 Y CB -0.512 37.924 38.460 -0.040 0.000 0.974 301 Y HN 0.208 nan 8.280 nan 0.000 0.511 302 I N 0.121 120.781 120.570 0.150 0.000 2.226 302 I HA -0.327 3.849 4.170 0.010 0.000 0.245 302 I C 2.708 178.842 176.117 0.027 0.000 1.100 302 I CA 1.142 62.459 61.300 0.029 0.000 1.374 302 I CB -0.827 37.209 38.000 0.061 0.000 1.057 302 I HN 0.365 nan 8.210 nan 0.000 0.413 303 A N 0.817 123.790 122.820 0.254 0.000 1.877 303 A HA -0.233 4.093 4.320 0.010 0.000 0.216 303 A C 1.971 179.615 177.584 0.101 0.000 1.186 303 A CA 2.099 54.343 52.037 0.345 0.000 0.620 303 A CB -0.609 18.574 19.000 0.304 0.000 0.822 303 A HN 0.341 nan 8.150 nan 0.000 0.443 304 D N 0.024 120.417 120.400 -0.010 0.000 2.084 304 D HA -0.130 4.516 4.640 0.010 0.000 0.194 304 D C 1.904 178.116 176.300 -0.145 0.000 0.990 304 D CA 1.268 55.219 54.000 -0.081 0.000 0.826 304 D CB -0.255 40.476 40.800 -0.114 0.000 0.971 304 D HN 0.221 nan 8.370 nan 0.000 0.453 305 K N 0.177 120.407 120.400 -0.283 0.000 2.057 305 K HA -0.035 4.291 4.320 0.010 0.000 0.207 305 K C 2.062 178.579 176.600 -0.140 0.000 1.049 305 K CA 0.680 56.797 56.287 -0.284 0.000 0.931 305 K CB -0.316 31.906 32.500 -0.464 0.000 0.714 305 K HN 0.213 nan 8.250 nan 0.000 0.440 306 M N 1.140 120.691 119.600 -0.080 0.000 2.156 306 M HA -0.084 4.402 4.480 0.010 0.000 0.264 306 M C 1.550 177.910 176.300 0.100 0.000 1.067 306 M CA 1.294 56.618 55.300 0.040 0.000 1.131 306 M CB -1.149 31.418 32.600 -0.054 0.000 1.368 306 M HN 0.082 nan 8.290 nan 0.000 0.416 307 N N 0.762 119.499 118.700 0.061 0.000 2.244 307 N HA -0.023 4.722 4.740 0.010 0.000 0.183 307 N C 1.728 177.234 175.510 -0.008 0.000 1.016 307 N CA 1.420 54.507 53.050 0.062 0.000 0.866 307 N CB -0.239 38.290 38.487 0.069 0.000 0.980 307 N HN 0.333 nan 8.380 nan 0.000 0.430 308 A N 0.877 123.661 122.820 -0.060 0.000 1.898 308 A HA 0.104 4.430 4.320 0.010 0.000 0.216 308 A C 2.320 179.793 177.584 -0.185 0.000 1.181 308 A CA 1.723 53.697 52.037 -0.105 0.000 0.620 308 A CB -0.606 18.325 19.000 -0.115 0.000 0.819 308 A HN 0.297 nan 8.150 nan 0.000 0.442 309 A N -1.400 121.250 122.820 -0.282 0.000 1.930 309 A HA 0.316 4.642 4.320 0.010 0.000 0.215 309 A C 0.485 177.538 177.584 -0.884 0.000 1.176 309 A CA 0.605 52.257 52.037 -0.642 0.000 0.632 309 A CB -0.249 18.235 19.000 -0.859 0.000 0.819 309 A HN 0.458 nan 8.150 nan 0.000 0.445 310 F N -1.336 118.575 119.950 -0.064 0.000 2.550 310 F HA 0.371 4.904 4.527 0.010 0.000 0.348 310 F C -2.200 173.573 175.800 -0.045 0.000 1.219 310 F CA -1.950 56.014 58.000 -0.059 0.000 1.203 310 F CB 1.407 40.361 39.000 -0.075 0.000 1.436 310 F HN -0.001 nan 8.300 nan 0.000 0.541 311 P HA -0.177 nan 4.420 nan 0.000 0.221 311 P C 0.499 177.830 177.300 0.051 0.000 1.145 311 P CA 1.143 64.265 63.100 0.036 0.000 0.795 311 P CB 0.014 31.713 31.700 -0.000 0.000 0.775 312 E N 0.722 120.966 120.200 0.074 0.000 2.506 312 E HA 0.141 4.497 4.350 0.010 0.000 0.210 312 E C -0.242 176.378 176.600 0.033 0.000 1.325 312 E CA -0.002 56.427 56.400 0.049 0.000 1.273 312 E CB -1.182 28.553 29.700 0.057 0.000 1.276 312 E HN 0.198 nan 8.360 nan 0.000 0.442 313 L N -2.711 118.539 121.223 0.044 0.000 3.657 313 L HA 0.244 4.589 4.340 0.010 0.000 0.264 313 L C -1.545 175.371 176.870 0.078 0.000 0.988 313 L CA -0.642 54.220 54.840 0.036 0.000 1.245 313 L CB 0.426 42.489 42.059 0.006 0.000 1.965 313 L HN 0.012 nan 8.230 nan 0.000 0.626 314 N N 2.432 121.171 118.700 0.064 0.000 3.301 314 N HA 0.194 4.940 4.740 0.010 0.000 0.289 314 N C -0.943 174.628 175.510 0.103 0.000 1.343 314 N CA -0.647 52.444 53.050 0.068 0.000 1.136 314 N CB 0.325 38.825 38.487 0.020 0.000 1.402 314 N HN 0.731 nan 8.380 nan 0.000 0.516 315 W N 2.644 123.929 121.300 -0.026 0.000 2.322 315 W HA 0.052 4.715 4.660 0.006 0.000 0.328 315 W C -0.285 176.239 176.519 0.007 0.000 1.395 315 W CA 0.030 57.367 57.345 -0.013 0.000 1.267 315 W CB 0.549 30.000 29.460 -0.015 0.000 1.259 315 W HN 0.298 nan 8.180 nan 0.000 0.560 316 Q N 6.799 126.238 119.800 -0.601 0.000 2.266 316 Q HA 0.359 4.705 4.340 0.010 0.000 0.261 316 Q C 0.150 175.485 176.000 -1.109 0.000 0.985 316 Q CA -1.062 54.403 55.803 -0.562 0.000 0.873 316 Q CB 1.721 30.258 28.738 -0.335 0.000 1.306 316 Q HN 0.710 nan 8.270 nan 0.000 0.447 317 I N -0.336 119.809 120.570 -0.709 0.000 2.696 317 I HA 0.307 4.483 4.170 0.010 0.000 0.284 317 I C -1.862 174.056 176.117 -0.332 0.000 1.129 317 I CA -1.688 59.231 61.300 -0.635 0.000 1.410 317 I CB 0.112 37.984 38.000 -0.213 0.000 1.399 317 I HN 0.308 nan 8.210 nan 0.000 0.579 318 P HA 0.052 nan 4.420 nan 0.000 0.271 318 P C -0.383 177.009 177.300 0.154 0.000 1.233 318 P CA -0.123 63.008 63.100 0.053 0.000 0.789 318 P CB 0.712 32.508 31.700 0.160 0.000 0.951 319 Q N -0.269 119.559 119.800 0.047 0.000 2.230 319 Q HA 0.018 4.364 4.340 0.010 0.000 0.202 319 Q C 0.794 176.742 176.000 -0.087 0.000 0.963 319 Q CA 0.895 56.707 55.803 0.015 0.000 0.866 319 Q CB -0.015 28.678 28.738 -0.076 0.000 0.931 319 Q HN 0.658 nan 8.270 nan 0.000 0.452 320 S N -1.494 114.107 115.700 -0.165 0.000 2.615 320 S HA 0.578 5.054 4.470 0.010 0.000 0.269 320 S C -0.735 173.727 174.600 -0.230 0.000 1.161 320 S CA -0.537 57.352 58.200 -0.518 0.000 0.817 320 S CB 2.415 65.381 63.200 -0.389 0.000 1.131 320 S HN 0.072 nan 8.310 nan 0.000 0.467 321 T N 0.769 115.171 114.554 -0.253 0.000 0.541 321 T HA -0.102 4.254 4.350 0.010 0.000 0.774 321 T C -0.625 174.338 174.700 0.438 0.000 0.992 321 T CA 0.437 62.520 62.100 -0.028 0.000 4.077 321 T CB -1.267 67.460 68.868 -0.235 0.000 2.303 321 T HN 1.793 nan 8.240 nan 0.000 0.398 322 Y N -0.097 120.444 120.300 0.402 0.000 2.658 322 Y HA 0.747 5.303 4.550 0.010 0.000 0.276 322 Y C 0.218 176.293 175.900 0.292 0.000 1.167 322 Y CA -0.935 57.408 58.100 0.404 0.000 1.230 322 Y CB 0.221 38.908 38.460 0.378 0.000 1.144 322 Y HN 0.404 nan 8.280 nan 0.000 0.529 323 L N 2.037 123.369 121.223 0.182 0.000 2.317 323 L HA 0.818 5.164 4.340 0.010 0.000 0.281 323 L C -0.173 176.868 176.870 0.285 0.000 1.024 323 L CA -1.417 53.535 54.840 0.187 0.000 0.810 323 L CB 1.888 43.952 42.059 0.007 0.000 1.240 323 L HN 0.274 nan 8.230 nan 0.000 0.427 324 A N 3.521 126.540 122.820 0.332 0.000 2.253 324 A HA 0.228 4.554 4.320 0.010 0.000 0.316 324 A C -0.914 176.952 177.584 0.469 0.000 1.327 324 A CA -0.413 51.888 52.037 0.440 0.000 0.917 324 A CB 0.234 19.372 19.000 0.229 0.000 1.162 324 A HN 0.897 nan 8.150 nan 0.000 0.535 325 W N 6.108 127.614 121.300 0.344 0.000 2.226 325 W HA 0.445 5.110 4.660 0.008 0.000 0.379 325 W C -1.564 175.269 176.519 0.524 0.000 0.923 325 W CA -0.593 56.930 57.345 0.296 0.000 1.524 325 W CB 0.434 29.991 29.460 0.161 0.000 1.552 325 W HN 0.494 nan 8.180 nan 0.000 0.337 326 L N 5.255 126.530 121.223 0.086 0.000 2.281 326 L HA 0.077 4.423 4.340 0.010 0.000 0.285 326 L C 0.439 177.060 176.870 -0.415 0.000 1.074 326 L CA -0.046 54.628 54.840 -0.278 0.000 0.817 326 L CB 0.503 42.218 42.059 -0.574 0.000 1.168 326 L HN 0.227 nan 8.230 nan 0.000 0.434 327 D N 4.158 124.312 120.400 -0.409 0.000 2.339 327 D HA 0.183 4.829 4.640 0.010 0.000 0.241 327 D C 0.474 176.400 176.300 -0.622 0.000 1.183 327 D CA 0.035 53.459 54.000 -0.960 0.000 0.859 327 D CB 1.069 41.515 40.800 -0.589 0.000 1.067 327 D HN 0.397 nan 8.370 nan 0.000 0.484 328 L N 3.573 124.399 121.223 -0.660 0.000 2.640 328 L HA 0.228 4.573 4.340 0.010 0.000 0.230 328 L C 2.228 178.888 176.870 -0.349 0.000 1.123 328 L CA -0.299 54.276 54.840 -0.442 0.000 0.900 328 L CB 0.109 41.930 42.059 -0.396 0.000 1.146 328 L HN 0.263 nan 8.230 nan 0.000 0.484 329 R N 1.078 121.350 120.500 -0.380 0.000 2.133 329 R HA -0.196 4.150 4.340 0.010 0.000 0.247 329 R C -0.534 175.665 176.300 -0.168 0.000 1.151 329 R CA 1.683 57.642 56.100 -0.235 0.000 0.971 329 R CB -1.451 28.722 30.300 -0.211 0.000 0.866 329 R HN 0.298 nan 8.270 nan 0.000 0.447 330 P HA -0.124 nan 4.420 nan 0.000 0.226 330 P C 0.591 177.829 177.300 -0.103 0.000 1.146 330 P CA 1.143 64.175 63.100 -0.114 0.000 0.773 330 P CB 0.067 31.706 31.700 -0.101 0.000 0.772 331 L N -1.984 119.152 121.223 -0.144 0.000 2.567 331 L HA 0.146 4.492 4.340 0.010 0.000 0.225 331 L C 0.276 177.086 176.870 -0.100 0.000 1.119 331 L CA 0.032 54.792 54.840 -0.133 0.000 0.871 331 L CB -0.652 41.269 42.059 -0.231 0.000 1.036 331 L HN 0.012 nan 8.230 nan 0.000 0.459 332 N N 1.108 119.752 118.700 -0.093 0.000 2.721 332 N HA -0.232 4.514 4.740 0.010 0.000 0.249 332 N C 0.047 175.520 175.510 -0.062 0.000 1.072 332 N CA 0.878 53.889 53.050 -0.065 0.000 0.710 332 N CB -1.267 37.194 38.487 -0.043 0.000 0.993 332 N HN 0.442 nan 8.380 nan 0.000 0.547 333 I N -0.013 120.505 120.570 -0.087 0.000 2.834 333 I HA 0.133 4.309 4.170 0.010 0.000 0.305 333 I C 0.374 176.460 176.117 -0.051 0.000 1.008 333 I CA -0.353 60.901 61.300 -0.078 0.000 1.273 333 I CB 1.126 39.053 38.000 -0.121 0.000 1.432 333 I HN -0.055 nan 8.210 nan 0.000 0.557 334 D N 3.910 124.291 120.400 -0.031 0.000 2.280 334 D HA 0.074 4.720 4.640 0.010 0.000 0.236 334 D C 0.279 176.590 176.300 0.017 0.000 1.082 334 D CA -0.346 53.651 54.000 -0.005 0.000 0.834 334 D CB 1.453 42.252 40.800 -0.002 0.000 1.100 334 D HN 0.451 nan 8.370 nan 0.000 0.486 335 D N 2.942 123.376 120.400 0.057 0.000 2.133 335 D HA -0.197 4.449 4.640 0.010 0.000 0.192 335 D C 1.387 177.795 176.300 0.179 0.000 1.001 335 D CA 1.149 55.233 54.000 0.139 0.000 0.844 335 D CB 0.172 41.151 40.800 0.299 0.000 0.944 335 D HN 0.499 nan 8.370 nan 0.000 0.447 336 N N 0.184 118.968 118.700 0.140 0.000 2.216 336 N HA -0.035 4.710 4.740 0.010 0.000 0.183 336 N C 1.779 177.330 175.510 0.069 0.000 1.017 336 N CA 0.987 54.108 53.050 0.118 0.000 0.861 336 N CB -0.064 38.448 38.487 0.042 0.000 0.986 336 N HN 0.122 nan 8.380 nan 0.000 0.428 337 A N 2.514 125.357 122.820 0.039 0.000 1.877 337 A HA -0.086 4.240 4.320 0.010 0.000 0.216 337 A C 2.204 179.799 177.584 0.018 0.000 1.186 337 A CA 0.809 52.858 52.037 0.021 0.000 0.620 337 A CB -0.824 18.180 19.000 0.007 0.000 0.822 337 A HN 0.245 nan 8.150 nan 0.000 0.443 338 L N -0.682 120.547 121.223 0.010 0.000 2.012 338 L HA -0.236 4.109 4.340 0.010 0.000 0.210 338 L C 2.488 179.361 176.870 0.005 0.000 1.073 338 L CA 2.895 57.729 54.840 -0.010 0.000 0.748 338 L CB -0.938 41.099 42.059 -0.036 0.000 0.891 338 L HN 0.479 nan 8.230 nan 0.000 0.431 339 Q N 0.459 120.280 119.800 0.035 0.000 2.084 339 Q HA -0.254 4.092 4.340 0.010 0.000 0.202 339 Q C 2.272 178.297 176.000 0.042 0.000 0.978 339 Q CA 2.116 57.946 55.803 0.046 0.000 0.844 339 Q CB -0.200 28.599 28.738 0.101 0.000 0.898 339 Q HN 0.447 nan 8.270 nan 0.000 0.426 340 K N -1.029 119.397 120.400 0.043 0.000 2.057 340 K HA -0.107 4.219 4.320 0.010 0.000 0.207 340 K C 1.852 178.467 176.600 0.025 0.000 1.049 340 K CA 1.186 57.494 56.287 0.034 0.000 0.931 340 K CB -0.233 32.284 32.500 0.030 0.000 0.714 340 K HN 0.241 nan 8.250 nan 0.000 0.440 341 A N 1.166 123.996 122.820 0.017 0.000 1.898 341 A HA -0.112 4.214 4.320 0.010 0.000 0.216 341 A C 2.090 179.682 177.584 0.013 0.000 1.181 341 A CA 1.160 53.205 52.037 0.012 0.000 0.620 341 A CB -0.559 18.444 19.000 0.005 0.000 0.819 341 A HN 0.291 nan 8.150 nan 0.000 0.442 342 L N -0.335 120.895 121.223 0.011 0.000 2.017 342 L HA -0.194 4.152 4.340 0.010 0.000 0.208 342 L C 2.470 179.357 176.870 0.030 0.000 1.073 342 L CA 0.923 55.771 54.840 0.013 0.000 0.745 342 L CB -0.505 41.558 42.059 0.005 0.000 0.894 342 L HN 0.327 nan 8.230 nan 0.000 0.432 343 I N 0.037 120.627 120.570 0.033 0.000 2.110 343 I HA -0.229 3.947 4.170 0.010 0.000 0.236 343 I C 2.490 178.627 176.117 0.033 0.000 1.068 343 I CA 1.682 63.005 61.300 0.038 0.000 1.333 343 I CB -1.173 36.851 38.000 0.039 0.000 1.054 343 I HN 0.320 nan 8.210 nan 0.000 0.402 344 E N 0.149 120.366 120.200 0.028 0.000 2.072 344 E HA -0.228 4.128 4.350 0.010 0.000 0.190 344 E C 2.168 178.782 176.600 0.022 0.000 0.982 344 E CA 0.895 57.309 56.400 0.024 0.000 0.803 344 E CB -0.111 29.602 29.700 0.021 0.000 0.755 344 E HN 0.498 nan 8.360 nan 0.000 0.453 345 Q N 0.205 120.018 119.800 0.021 0.000 2.089 345 Q HA -0.108 4.238 4.340 0.010 0.000 0.195 345 Q C 1.523 177.537 176.000 0.023 0.000 0.963 345 Q CA 0.853 56.667 55.803 0.019 0.000 0.834 345 Q CB 0.467 29.214 28.738 0.016 0.000 0.906 345 Q HN 0.056 nan 8.270 nan 0.000 0.452 346 E N 0.259 120.474 120.200 0.026 0.000 2.452 346 E HA 0.044 4.399 4.350 0.010 0.000 0.197 346 E C -0.241 176.386 176.600 0.045 0.000 1.022 346 E CA 0.103 56.522 56.400 0.032 0.000 0.890 346 E CB 0.490 30.205 29.700 0.025 0.000 0.918 346 E HN 0.236 nan 8.360 nan 0.000 0.496 347 K N 0.322 120.749 120.400 0.045 0.000 3.077 347 K HA -0.147 4.179 4.320 0.010 0.000 0.264 347 K C -0.768 175.880 176.600 0.080 0.000 1.008 347 K CA 0.214 56.533 56.287 0.053 0.000 0.740 347 K CB -1.361 31.166 32.500 0.044 0.000 1.273 347 K HN -0.072 nan 8.250 nan 0.000 0.477 348 V N 0.212 120.181 119.914 0.091 0.000 2.628 348 V HA 0.686 4.811 4.120 0.010 0.000 0.306 348 V C -0.072 176.108 176.094 0.143 0.000 1.045 348 V CA -0.599 61.793 62.300 0.153 0.000 0.905 348 V CB 1.928 33.821 31.823 0.116 0.000 0.997 348 V HN 0.280 nan 8.190 nan 0.000 0.436 349 A N 6.137 129.087 122.820 0.217 0.000 2.267 349 A HA 0.853 5.179 4.320 0.010 0.000 0.315 349 A C -0.759 176.958 177.584 0.222 0.000 1.297 349 A CA -0.324 51.813 52.037 0.167 0.000 0.865 349 A CB 0.170 19.243 19.000 0.122 0.000 1.165 349 A HN 0.734 nan 8.150 nan 0.000 0.513 350 I N 2.866 123.511 120.570 0.125 0.000 2.447 350 I HA 0.224 4.400 4.170 0.010 0.000 0.287 350 I C -0.109 176.047 176.117 0.066 0.000 1.023 350 I CA -0.826 60.536 61.300 0.103 0.000 1.083 350 I CB 2.071 40.072 38.000 0.003 0.000 1.245 350 I HN 0.732 nan 8.210 nan 0.000 0.434 351 M N 10.322 129.983 119.600 0.102 0.000 2.408 351 M HA 0.103 4.589 4.480 0.010 0.000 0.363 351 M C -2.283 174.041 176.300 0.041 0.000 1.636 351 M CA -1.091 54.262 55.300 0.088 0.000 1.029 351 M CB -0.138 32.563 32.600 0.169 0.000 2.068 351 M HN 0.177 nan 8.290 nan 0.000 0.466 352 P HA 0.151 nan 4.420 nan 0.000 0.282 352 P C 0.543 177.706 177.300 -0.229 0.000 1.262 352 P CA 0.021 62.925 63.100 -0.325 0.000 0.773 352 P CB 0.801 32.034 31.700 -0.778 0.000 0.879 353 G N 3.696 112.481 108.800 -0.024 0.000 2.499 353 G HA2 -0.289 3.676 3.960 0.010 0.000 0.221 353 G HA3 -0.289 3.676 3.960 0.010 0.000 0.221 353 G C 0.969 176.066 174.900 0.329 0.000 1.109 353 G CA 0.524 45.770 45.100 0.244 0.000 0.749 353 G HN 0.616 nan 8.290 nan 0.000 0.568 354 Y N 1.214 121.671 120.300 0.262 0.000 2.639 354 Y HA 0.039 4.595 4.550 0.010 0.000 0.297 354 Y C 2.434 178.453 175.900 0.199 0.000 1.151 354 Y CA 0.737 58.962 58.100 0.209 0.000 1.335 354 Y CB -1.497 37.039 38.460 0.126 0.000 0.994 354 Y HN 0.147 nan 8.280 nan 0.000 0.548 355 T N -3.557 111.185 114.554 0.313 0.000 3.007 355 T HA -0.181 4.175 4.350 0.010 0.000 0.270 355 T C 0.646 175.393 174.700 0.080 0.000 1.107 355 T CA 0.931 63.136 62.100 0.174 0.000 1.118 355 T CB -0.848 68.022 68.868 0.003 0.000 0.889 355 T HN 0.444 nan 8.240 nan 0.000 0.506 356 Y N 2.344 122.695 120.300 0.085 0.000 2.645 356 Y HA 0.513 5.068 4.550 0.009 0.000 0.307 356 Y C 1.756 177.688 175.900 0.054 0.000 1.151 356 Y CA -0.612 57.510 58.100 0.036 0.000 1.291 356 Y CB -0.528 37.965 38.460 0.055 0.000 1.135 356 Y HN 0.558 nan 8.280 nan 0.000 0.523 357 G N 0.561 109.476 108.800 0.192 0.000 2.593 357 G HA2 -0.402 3.563 3.960 0.010 0.000 0.237 357 G HA3 -0.402 3.563 3.960 0.010 0.000 0.237 357 G C 0.802 175.819 174.900 0.195 0.000 1.312 357 G CA 0.310 45.495 45.100 0.142 0.000 0.896 357 G HN 0.308 nan 8.290 nan 0.000 0.574 358 E N -0.012 120.282 120.200 0.157 0.000 2.038 358 E HA -0.107 4.249 4.350 0.010 0.000 0.195 358 E C 2.257 178.977 176.600 0.199 0.000 1.000 358 E CA 2.512 59.010 56.400 0.164 0.000 0.803 358 E CB -0.507 29.272 29.700 0.131 0.000 0.750 358 E HN 0.605 nan 8.360 nan 0.000 0.448 359 E N -0.654 119.663 120.200 0.195 0.000 2.236 359 E HA -0.180 4.176 4.350 0.010 0.000 0.205 359 E C 1.694 178.390 176.600 0.159 0.000 1.028 359 E CA 1.561 58.075 56.400 0.190 0.000 0.827 359 E CB -0.607 29.194 29.700 0.168 0.000 0.735 359 E HN 0.436 nan 8.360 nan 0.000 0.470 360 G N -0.498 108.432 108.800 0.216 0.000 3.189 360 G HA2 -0.040 3.926 3.960 0.010 0.000 0.225 360 G HA3 -0.040 3.926 3.960 0.010 0.000 0.225 360 G C 0.365 175.456 174.900 0.318 0.000 1.159 360 G CA -0.543 44.685 45.100 0.213 0.000 0.763 360 G HN -0.038 nan 8.290 nan 0.000 0.549 361 R N 0.830 121.526 120.500 0.327 0.000 2.421 361 R HA 0.418 4.763 4.340 0.010 0.000 0.305 361 R C 1.297 177.771 176.300 0.290 0.000 1.039 361 R CA 0.867 57.146 56.100 0.299 0.000 1.003 361 R CB -0.063 30.369 30.300 0.219 0.000 0.959 361 R HN 0.383 nan 8.270 nan 0.000 0.427 362 G N 2.537 111.439 108.800 0.170 0.000 2.159 362 G HA2 -0.232 3.733 3.960 0.010 0.000 0.227 362 G HA3 -0.232 3.733 3.960 0.010 0.000 0.227 362 G C -0.443 174.287 174.900 -0.282 0.000 0.986 362 G CA -0.108 44.964 45.100 -0.046 0.000 0.651 362 G HN 0.454 nan 8.290 nan 0.000 0.523 363 F N -0.457 119.309 119.950 -0.307 0.000 2.618 363 F HA 0.808 5.341 4.527 0.009 0.000 0.332 363 F C 0.404 175.937 175.800 -0.445 0.000 1.061 363 F CA -0.741 56.903 58.000 -0.592 0.000 0.974 363 F CB 2.311 40.504 39.000 -1.345 0.000 1.310 363 F HN 0.463 nan 8.300 nan 0.000 0.491 364 V N -0.350 119.431 119.914 -0.223 0.000 2.851 364 V HA 0.626 4.752 4.120 0.010 0.000 0.307 364 V C -1.088 175.046 176.094 0.067 0.000 1.129 364 V CA -0.991 61.266 62.300 -0.072 0.000 0.932 364 V CB 1.823 33.576 31.823 -0.117 0.000 1.024 364 V HN 0.841 nan 8.190 nan 0.000 0.426 365 R N 3.336 123.987 120.500 0.251 0.000 2.338 365 R HA 0.687 5.033 4.340 0.010 0.000 0.317 365 R C -1.694 174.735 176.300 0.214 0.000 0.968 365 R CA -0.675 55.640 56.100 0.359 0.000 0.849 365 R CB 1.666 32.237 30.300 0.451 0.000 1.128 365 R HN 0.969 nan 8.270 nan 0.000 0.448 366 L N 4.968 126.300 121.223 0.181 0.000 2.343 366 L HA 0.345 4.691 4.340 0.010 0.000 0.278 366 L C -0.661 176.357 176.870 0.246 0.000 0.996 366 L CA -0.706 54.225 54.840 0.151 0.000 0.831 366 L CB 1.548 43.602 42.059 -0.008 0.000 1.232 366 L HN 0.584 nan 8.230 nan 0.000 0.413 367 N N 3.813 122.710 118.700 0.328 0.000 2.405 367 N HA 0.148 4.893 4.740 0.010 0.000 0.260 367 N C 0.341 176.079 175.510 0.380 0.000 1.152 367 N CA 0.292 53.563 53.050 0.369 0.000 0.948 367 N CB 1.879 40.564 38.487 0.331 0.000 1.111 367 N HN 0.773 nan 8.380 nan 0.000 0.485 368 A N 2.590 125.642 122.820 0.387 0.000 2.307 368 A HA 0.228 4.554 4.320 0.010 0.000 0.218 368 A C 1.151 178.905 177.584 0.283 0.000 1.228 368 A CA -0.006 52.222 52.037 0.318 0.000 0.857 368 A CB -0.169 19.006 19.000 0.291 0.000 0.897 368 A HN 0.591 nan 8.150 nan 0.000 0.495 369 G N 0.704 109.631 108.800 0.211 0.000 3.101 369 G HA2 0.421 4.387 3.960 0.010 0.000 0.272 369 G HA3 0.421 4.387 3.960 0.010 0.000 0.272 369 G C 0.059 174.766 174.900 -0.322 0.000 0.801 369 G CA 0.492 45.555 45.100 -0.062 0.000 1.978 369 G HN 1.003 nan 8.290 nan 0.000 0.591 370 C N -0.841 118.363 119.300 -0.160 0.000 3.295 370 C HA 0.734 5.200 4.460 0.010 0.000 0.341 370 C C -3.105 171.991 174.990 0.177 0.000 1.418 370 C CA -1.966 56.799 59.018 -0.422 0.000 1.240 370 C CB 1.479 29.102 27.740 -0.195 0.000 1.562 370 C HN 0.315 nan 8.230 nan 0.000 0.457 371 P HA 0.299 nan 4.420 nan 0.000 0.269 371 P C 0.631 178.085 177.300 0.256 0.000 1.209 371 P CA 0.051 63.368 63.100 0.361 0.000 0.776 371 P CB 0.511 32.325 31.700 0.190 0.000 0.876 372 R N 2.427 123.082 120.500 0.258 0.000 2.096 372 R HA -0.156 4.190 4.340 0.010 0.000 0.235 372 R C 1.925 178.210 176.300 -0.024 0.000 1.127 372 R CA 2.245 58.348 56.100 0.005 0.000 0.968 372 R CB -0.610 29.594 30.300 -0.161 0.000 0.861 372 R HN 0.585 nan 8.270 nan 0.000 0.440 373 S N 0.363 116.084 115.700 0.035 0.000 2.402 373 S HA -0.229 4.247 4.470 0.010 0.000 0.233 373 S C 1.909 176.544 174.600 0.057 0.000 1.030 373 S CA 1.516 59.733 58.200 0.029 0.000 1.003 373 S CB -0.286 62.940 63.200 0.043 0.000 0.813 373 S HN 0.441 nan 8.310 nan 0.000 0.477 374 K N 0.443 120.893 120.400 0.084 0.000 2.044 374 K HA 0.058 4.384 4.320 0.010 0.000 0.204 374 K C 2.191 178.965 176.600 0.291 0.000 1.049 374 K CA 0.936 57.303 56.287 0.134 0.000 0.945 374 K CB -0.316 32.208 32.500 0.040 0.000 0.724 374 K HN 0.327 nan 8.250 nan 0.000 0.440 375 L N 2.481 123.845 121.223 0.234 0.000 2.042 375 L HA -0.191 4.155 4.340 0.010 0.000 0.210 375 L C 1.808 178.739 176.870 0.101 0.000 1.076 375 L CA 1.831 56.804 54.840 0.222 0.000 0.749 375 L CB -0.489 41.619 42.059 0.082 0.000 0.893 375 L HN 0.248 nan 8.230 nan 0.000 0.432 376 E N -0.351 119.860 120.200 0.018 0.000 2.049 376 E HA -0.292 4.064 4.350 0.010 0.000 0.198 376 E C 1.941 178.602 176.600 0.102 0.000 1.007 376 E CA 1.909 58.347 56.400 0.062 0.000 0.809 376 E CB -0.231 29.474 29.700 0.008 0.000 0.749 376 E HN 0.525 nan 8.360 nan 0.000 0.450 377 K N -0.003 120.464 120.400 0.112 0.000 2.515 377 K HA -0.036 4.290 4.320 0.010 0.000 0.196 377 K C 1.804 178.464 176.600 0.099 0.000 1.038 377 K CA 0.647 57.004 56.287 0.116 0.000 0.967 377 K CB 0.135 32.719 32.500 0.141 0.000 0.780 377 K HN 0.156 nan 8.250 nan 0.000 0.483 378 G N 1.016 109.826 108.800 0.016 0.000 2.524 378 G HA2 -0.141 3.825 3.960 0.010 0.000 0.210 378 G HA3 -0.141 3.825 3.960 0.010 0.000 0.210 378 G C 1.613 176.313 174.900 -0.334 0.000 1.187 378 G CA 0.486 45.311 45.100 -0.459 0.000 0.825 378 G HN 0.169 nan 8.290 nan 0.000 0.558 379 V N -0.025 119.785 119.914 -0.174 0.000 2.392 379 V HA -0.047 4.079 4.120 0.010 0.000 0.249 379 V C 2.948 179.012 176.094 -0.050 0.000 1.059 379 V CA 2.126 64.370 62.300 -0.094 0.000 1.051 379 V CB -1.278 30.567 31.823 0.037 0.000 0.658 379 V HN 0.404 nan 8.190 nan 0.000 0.455 380 A N 1.552 124.371 122.820 -0.003 0.000 1.865 380 A HA -0.034 4.292 4.320 0.010 0.000 0.217 380 A C 2.454 180.035 177.584 -0.005 0.000 1.191 380 A CA 2.348 54.393 52.037 0.013 0.000 0.623 380 A CB -1.662 17.361 19.000 0.038 0.000 0.826 380 A HN 0.785 nan 8.150 nan 0.000 0.444 381 G N -0.839 107.947 108.800 -0.023 0.000 2.448 381 G HA2 -0.129 3.837 3.960 0.010 0.000 0.219 381 G HA3 -0.129 3.837 3.960 0.010 0.000 0.219 381 G C 1.514 176.390 174.900 -0.040 0.000 1.127 381 G CA 0.862 45.950 45.100 -0.019 0.000 0.766 381 G HN 0.439 nan 8.290 nan 0.000 0.552 382 L N 0.259 121.435 121.223 -0.079 0.000 2.156 382 L HA 0.009 4.354 4.340 0.010 0.000 0.208 382 L C 2.549 179.395 176.870 -0.039 0.000 1.095 382 L CA 0.561 55.345 54.840 -0.094 0.000 0.770 382 L CB -0.129 41.838 42.059 -0.152 0.000 0.914 382 L HN 0.099 nan 8.230 nan 0.000 0.439 383 I N 0.242 120.824 120.570 0.020 0.000 2.162 383 I HA -0.238 3.937 4.170 0.010 0.000 0.238 383 I C 1.921 178.096 176.117 0.096 0.000 1.076 383 I CA 1.274 62.649 61.300 0.125 0.000 1.353 383 I CB -1.776 36.282 38.000 0.097 0.000 1.063 383 I HN 0.281 nan 8.210 nan 0.000 0.408 384 N N 1.353 120.079 118.700 0.044 0.000 2.503 384 N HA -0.109 4.637 4.740 0.010 0.000 0.189 384 N C 1.621 177.147 175.510 0.026 0.000 1.048 384 N CA 1.278 54.348 53.050 0.032 0.000 0.905 384 N CB -0.223 38.275 38.487 0.019 0.000 0.951 384 N HN 0.450 nan 8.380 nan 0.000 0.446 385 A N 0.126 122.954 122.820 0.014 0.000 1.901 385 A HA 0.189 4.515 4.320 0.010 0.000 0.210 385 A C 2.059 179.634 177.584 -0.015 0.000 1.208 385 A CA 0.171 52.204 52.037 -0.006 0.000 0.644 385 A CB -0.237 18.747 19.000 -0.026 0.000 0.863 385 A HN 0.133 nan 8.150 nan 0.000 0.454 386 I N -0.322 120.229 120.570 -0.032 0.000 2.163 386 I HA -0.286 3.890 4.170 0.010 0.000 0.243 386 I C 2.761 178.887 176.117 0.015 0.000 1.085 386 I CA 1.457 62.704 61.300 -0.089 0.000 1.347 386 I CB -0.337 37.486 38.000 -0.296 0.000 1.044 386 I HN 0.277 nan 8.210 nan 0.000 0.408 387 R N 0.684 121.256 120.500 0.119 0.000 2.092 387 R HA -0.076 4.270 4.340 0.010 0.000 0.231 387 R C 2.427 178.758 176.300 0.052 0.000 1.119 387 R CA 1.307 57.479 56.100 0.119 0.000 0.970 387 R CB -0.436 29.932 30.300 0.112 0.000 0.864 387 R HN 0.347 nan 8.270 nan 0.000 0.440 388 A N 0.730 123.570 122.820 0.033 0.000 2.076 388 A HA -0.108 4.218 4.320 0.010 0.000 0.220 388 A C 1.891 179.481 177.584 0.010 0.000 1.160 388 A CA 1.701 53.748 52.037 0.018 0.000 0.653 388 A CB -0.160 18.847 19.000 0.013 0.000 0.801 388 A HN 0.290 nan 8.150 nan 0.000 0.455 389 V N -4.939 114.978 119.914 0.004 0.000 3.252 389 V HA 0.350 4.476 4.120 0.010 0.000 0.320 389 V C 0.473 176.562 176.094 -0.009 0.000 1.459 389 V CA -0.795 61.503 62.300 -0.005 0.000 1.095 389 V CB -0.486 31.329 31.823 -0.013 0.000 0.997 389 V HN 0.246 nan 8.190 nan 0.000 0.469 390 R N 0.000 120.501 120.500 0.002 0.000 2.786 390 R HA 0.000 4.346 4.340 0.010 0.000 0.208 390 R CA 0.000 56.102 56.100 0.003 0.000 0.921 390 R CB 0.000 30.322 30.300 0.036 0.000 0.687 390 R HN 0.000 nan 8.270 nan 0.000 0.535