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 2dvm_1_A DATA FIRST_RESID 2 DATA SEQUENCE IREKALEFHK NNFPGNGKIE VIPKVSLESR EELTLAYTPG VAEPCKEIAR DATA SEQUENCE DPGKVYEYTS KGNLVAVVSD GSRILGLGNI GPLAGLPVME GKALLFKRFG DATA SEQUENCE GVDAFPIMIK EQEPNKFIDI VKAIAPTFGG INLEDIASPK CFYILERLRE DATA SEQUENCE ELDIPVFHDD QQGTAAVVLA GLLNALKVVG KKISEITLAL FGAGAAGFAT DATA SEQUENCE LRILTEAGVK PENVRVVELV NGKPRILTSD LDLEKLFPYR GWLLKKTNGE DATA SEQUENCE NIEGGPQEAL KDADVLISFT RPGPGVIKPQ WIEKMNEDAI VFPLANPVPE DATA SEQUENCE ILPEEAKKAG ARIVATGRSD YPNQINNLLG FPGIFRGALD VRARTITDSM DATA SEQUENCE IIAAAKAIAS IVEEPSEENI IPSPLNPIVY AREARAVAEE AMKEGVARTK DATA SEQUENCE VKGEWVEEHT IRLIEFYENV IAPINKKRRE YSKAITRA 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.128 176.117 0.019 0.000 1.063 2 I CA 0.000 61.305 61.300 0.009 0.000 1.566 2 I CB 0.000 38.007 38.000 0.012 0.000 1.214 3 R N 0.720 121.231 120.500 0.020 0.000 2.070 3 R HA -0.122 4.218 4.340 -0.000 0.000 0.233 3 R C 1.525 177.850 176.300 0.041 0.000 1.137 3 R CA 2.751 58.866 56.100 0.025 0.000 0.945 3 R CB -0.162 30.148 30.300 0.018 0.000 0.845 3 R HN 0.774 nan 8.270 nan 0.000 0.430 4 E N 0.722 120.946 120.200 0.040 0.000 2.058 4 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 4 E C 1.939 178.584 176.600 0.074 0.000 0.997 4 E CA 1.740 58.170 56.400 0.050 0.000 0.801 4 E CB -0.052 29.672 29.700 0.040 0.000 0.746 4 E HN 0.378 nan 8.360 nan 0.000 0.450 5 K N 0.233 120.674 120.400 0.069 0.000 2.026 5 K HA -0.059 4.261 4.320 -0.000 0.000 0.208 5 K C 2.172 178.858 176.600 0.144 0.000 1.048 5 K CA 1.294 57.637 56.287 0.092 0.000 0.929 5 K CB -0.250 32.283 32.500 0.056 0.000 0.713 5 K HN 0.138 nan 8.250 nan 0.000 0.439 6 A N 1.420 124.311 122.820 0.118 0.000 1.877 6 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 6 A C 2.160 179.940 177.584 0.326 0.000 1.186 6 A CA 1.325 53.474 52.037 0.187 0.000 0.620 6 A CB -0.730 18.332 19.000 0.103 0.000 0.822 6 A HN 0.154 nan 8.150 nan 0.000 0.443 7 L N -1.101 120.234 121.223 0.187 0.000 2.017 7 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 7 L C 2.680 179.678 176.870 0.214 0.000 1.073 7 L CA 1.757 56.696 54.840 0.165 0.000 0.745 7 L CB -0.545 41.563 42.059 0.082 0.000 0.894 7 L HN 0.373 nan 8.230 nan 0.000 0.432 8 E N 0.179 120.489 120.200 0.182 0.000 2.110 8 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 8 E C 1.920 178.628 176.600 0.180 0.000 0.988 8 E CA 1.149 57.640 56.400 0.152 0.000 0.804 8 E CB -0.300 29.471 29.700 0.119 0.000 0.745 8 E HN 0.363 nan 8.360 nan 0.000 0.458 9 F N -0.119 119.880 119.950 0.082 0.000 2.269 9 F HA -0.164 4.363 4.527 -0.000 0.000 0.301 9 F C 1.541 177.293 175.800 -0.080 0.000 1.082 9 F CA 1.609 59.609 58.000 -0.001 0.000 1.360 9 F CB -0.055 38.928 39.000 -0.028 0.000 1.041 9 F HN 0.160 nan 8.300 nan 0.000 0.512 10 H N -0.696 118.480 119.070 0.177 0.000 2.539 10 H HA 0.216 4.771 4.556 -0.000 0.000 0.267 10 H C 0.096 175.430 175.328 0.011 0.000 0.982 10 H CA 0.273 56.376 56.048 0.090 0.000 1.146 10 H CB 0.049 29.887 29.762 0.126 0.000 1.382 10 H HN 0.109 nan 8.280 nan 0.000 0.577 11 K N 0.756 121.208 120.400 0.086 0.000 2.221 11 K HA 0.205 4.525 4.320 -0.000 0.000 0.243 11 K C -0.124 176.479 176.600 0.004 0.000 0.968 11 K CA -0.949 55.368 56.287 0.050 0.000 0.846 11 K CB 1.203 33.742 32.500 0.065 0.000 1.141 11 K HN 0.081 nan 8.250 nan 0.000 0.434 12 N N 2.327 121.041 118.700 0.022 0.000 2.688 12 N HA -0.187 4.553 4.740 -0.000 0.000 0.258 12 N C -1.348 174.179 175.510 0.027 0.000 1.016 12 N CA 0.564 53.638 53.050 0.039 0.000 0.747 12 N CB -1.112 37.402 38.487 0.045 0.000 0.895 12 N HN 0.591 nan 8.380 nan 0.000 0.543 13 N N 0.953 119.656 118.700 0.005 0.000 2.800 13 N HA 0.135 4.874 4.740 -0.000 0.000 0.240 13 N C -0.157 175.379 175.510 0.043 0.000 1.096 13 N CA -0.395 52.650 53.050 -0.008 0.000 0.877 13 N CB 0.148 38.574 38.487 -0.101 0.000 1.138 13 N HN 0.213 nan 8.380 nan 0.000 0.509 14 F N 3.997 123.931 119.950 -0.026 0.000 2.604 14 F HA -0.027 4.499 4.527 -0.000 0.000 0.390 14 F C -1.464 174.295 175.800 -0.069 0.000 1.053 14 F CA -0.574 57.411 58.000 -0.024 0.000 1.256 14 F CB 0.506 39.519 39.000 0.021 0.000 0.996 14 F HN 0.323 nan 8.300 nan 0.000 0.564 15 P HA 0.322 nan 4.420 nan 0.000 0.285 15 P C 0.303 177.358 177.300 -0.408 0.000 1.259 15 P CA 0.633 63.117 63.100 -1.027 0.000 0.794 15 P CB 1.221 32.397 31.700 -0.873 0.000 0.940 16 G N 4.167 112.799 108.800 -0.281 0.000 2.547 16 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.271 16 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.271 16 G C -0.227 174.648 174.900 -0.041 0.000 1.209 16 G CA -0.209 44.829 45.100 -0.103 0.000 0.959 16 G HN 0.680 nan 8.290 nan 0.000 0.563 17 N N 1.080 119.763 118.700 -0.028 0.000 2.815 17 N HA 0.669 5.409 4.740 -0.000 0.000 0.315 17 N C 0.598 176.105 175.510 -0.005 0.000 1.320 17 N CA 0.894 53.942 53.050 -0.003 0.000 0.846 17 N CB 0.980 39.481 38.487 0.022 0.000 1.344 17 N HN 2.347 nan 8.380 nan 0.000 0.593 18 G N 0.028 108.843 108.800 0.026 0.000 2.728 18 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.294 18 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.294 18 G C -0.377 174.516 174.900 -0.011 0.000 1.342 18 G CA -0.235 44.888 45.100 0.039 0.000 0.866 18 G HN 0.553 nan 8.290 nan 0.000 0.534 19 K N -0.550 119.855 120.400 0.009 0.000 2.402 19 K HA 0.346 4.666 4.320 -0.000 0.000 0.204 19 K C 0.964 177.568 176.600 0.008 0.000 1.056 19 K CA 0.622 56.901 56.287 -0.013 0.000 1.069 19 K CB 0.672 33.189 32.500 0.028 0.000 0.888 19 K HN 0.690 nan 8.250 nan 0.000 0.546 20 I N -2.026 118.548 120.570 0.007 0.000 2.740 20 I HA 0.517 4.687 4.170 -0.000 0.000 0.303 20 I C -1.096 175.042 176.117 0.034 0.000 1.044 20 I CA -0.862 60.454 61.300 0.028 0.000 1.064 20 I CB 2.247 40.257 38.000 0.016 0.000 1.249 20 I HN -0.144 nan 8.210 nan 0.000 0.433 21 E N 3.414 123.649 120.200 0.058 0.000 2.367 21 E HA 0.644 4.993 4.350 -0.000 0.000 0.273 21 E C -1.968 174.684 176.600 0.085 0.000 0.903 21 E CA -0.851 55.576 56.400 0.046 0.000 0.764 21 E CB 2.972 32.673 29.700 0.003 0.000 1.252 21 E HN 0.588 nan 8.360 nan 0.000 0.446 22 V N 5.296 125.252 119.914 0.070 0.000 2.378 22 V HA 0.430 4.549 4.120 -0.000 0.000 0.288 22 V C 0.026 176.131 176.094 0.018 0.000 1.016 22 V CA -0.531 61.806 62.300 0.061 0.000 0.840 22 V CB 0.719 32.570 31.823 0.047 0.000 0.994 22 V HN 0.559 nan 8.190 nan 0.000 0.431 23 I N 3.158 123.741 120.570 0.021 0.000 2.846 23 I HA 0.855 5.025 4.170 -0.000 0.000 0.307 23 I C -2.535 173.587 176.117 0.008 0.000 1.053 23 I CA -2.416 58.889 61.300 0.008 0.000 1.050 23 I CB 1.857 39.865 38.000 0.014 0.000 1.239 23 I HN 0.350 nan 8.210 nan 0.000 0.439 24 P HA 0.383 nan 4.420 nan 0.000 0.274 24 P C -0.593 176.719 177.300 0.020 0.000 1.237 24 P CA -0.602 62.500 63.100 0.003 0.000 0.793 24 P CB 0.719 32.417 31.700 -0.002 0.000 0.977 25 K N 0.001 120.413 120.400 0.020 0.000 2.358 25 K HA 0.202 4.521 4.320 -0.000 0.000 0.200 25 K C 0.254 176.869 176.600 0.026 0.000 1.030 25 K CA -0.000 56.304 56.287 0.028 0.000 1.097 25 K CB 0.492 33.002 32.500 0.016 0.000 0.862 25 K HN 0.351 nan 8.250 nan 0.000 0.534 26 V N -2.476 117.451 119.914 0.022 0.000 3.046 26 V HA 0.492 4.612 4.120 -0.000 0.000 0.316 26 V C -0.050 176.056 176.094 0.020 0.000 1.104 26 V CA -0.998 61.315 62.300 0.022 0.000 1.006 26 V CB 1.931 33.766 31.823 0.021 0.000 1.058 26 V HN -0.137 nan 8.190 nan 0.000 0.440 27 S N 1.869 117.581 115.700 0.021 0.000 2.565 27 S HA 0.661 5.131 4.470 -0.000 0.000 0.274 27 S C 0.006 174.615 174.600 0.015 0.000 1.309 27 S CA -0.392 57.819 58.200 0.018 0.000 1.043 27 S CB 0.517 63.728 63.200 0.019 0.000 0.939 27 S HN 0.676 nan 8.310 nan 0.000 0.504 28 L N 2.672 123.903 121.223 0.012 0.000 3.186 28 L HA 0.339 4.679 4.340 -0.000 0.000 0.317 28 L C 0.498 177.373 176.870 0.008 0.000 1.296 28 L CA -0.116 54.730 54.840 0.010 0.000 0.870 28 L CB 0.303 42.365 42.059 0.004 0.000 1.302 28 L HN 0.482 nan 8.230 nan 0.000 0.590 29 E N -0.128 120.078 120.200 0.010 0.000 2.372 29 E HA 0.119 4.469 4.350 -0.000 0.000 0.201 29 E C 0.993 177.599 176.600 0.009 0.000 0.938 29 E CA 0.278 56.684 56.400 0.009 0.000 0.944 29 E CB 0.753 30.459 29.700 0.010 0.000 0.937 29 E HN 0.407 nan 8.360 nan 0.000 0.495 30 S N 0.179 115.885 115.700 0.010 0.000 2.672 30 S HA 0.338 4.808 4.470 -0.000 0.000 0.276 30 S C 1.068 175.674 174.600 0.011 0.000 1.207 30 S CA -0.676 57.530 58.200 0.010 0.000 1.002 30 S CB 2.619 65.825 63.200 0.010 0.000 0.998 30 S HN 0.010 nan 8.310 nan 0.000 0.542 31 R N 0.501 121.007 120.500 0.010 0.000 2.096 31 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 31 R C 2.217 178.523 176.300 0.011 0.000 1.127 31 R CA 1.828 57.935 56.100 0.010 0.000 0.968 31 R CB -0.423 29.882 30.300 0.008 0.000 0.861 31 R HN 0.941 nan 8.270 nan 0.000 0.440 32 E N 0.424 120.629 120.200 0.009 0.000 2.072 32 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 32 E C 1.582 178.188 176.600 0.011 0.000 0.985 32 E CA 1.434 57.838 56.400 0.007 0.000 0.801 32 E CB 0.075 29.778 29.700 0.005 0.000 0.750 32 E HN 0.446 nan 8.360 nan 0.000 0.452 33 E N 0.495 120.702 120.200 0.013 0.000 2.118 33 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 33 E C 2.254 178.868 176.600 0.024 0.000 0.992 33 E CA 1.046 57.456 56.400 0.016 0.000 0.804 33 E CB -0.089 29.620 29.700 0.016 0.000 0.741 33 E HN 0.361 nan 8.360 nan 0.000 0.458 34 L N 0.789 122.028 121.223 0.027 0.000 2.141 34 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 34 L C 2.744 179.650 176.870 0.059 0.000 1.094 34 L CA 1.553 56.419 54.840 0.044 0.000 0.763 34 L CB -0.703 41.380 42.059 0.039 0.000 0.908 34 L HN 0.340 nan 8.230 nan 0.000 0.437 35 T N -3.184 111.390 114.554 0.033 0.000 3.072 35 T HA -0.029 4.321 4.350 -0.000 0.000 0.266 35 T C 1.635 176.336 174.700 0.002 0.000 1.127 35 T CA 0.545 62.655 62.100 0.018 0.000 1.107 35 T CB -0.030 68.839 68.868 0.002 0.000 0.910 35 T HN 0.244 nan 8.240 nan 0.000 0.513 36 L N -0.141 121.089 121.223 0.011 0.000 2.388 36 L HA 0.440 4.780 4.340 -0.000 0.000 0.209 36 L C 3.154 180.032 176.870 0.013 0.000 1.061 36 L CA 0.647 55.486 54.840 -0.002 0.000 0.834 36 L CB -0.533 41.526 42.059 -0.000 0.000 1.029 36 L HN 0.288 nan 8.230 nan 0.000 0.473 37 A N -0.965 121.882 122.820 0.044 0.000 1.969 37 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 37 A C 1.175 178.848 177.584 0.148 0.000 1.169 37 A CA 1.464 53.543 52.037 0.070 0.000 0.635 37 A CB -0.169 18.867 19.000 0.060 0.000 0.810 37 A HN 0.367 nan 8.150 nan 0.000 0.445 38 Y N -0.377 119.905 120.300 -0.028 0.000 3.323 38 Y HA 0.406 4.956 4.550 -0.000 0.000 0.285 38 Y C 0.744 176.624 175.900 -0.033 0.000 1.897 38 Y CA -0.421 57.660 58.100 -0.031 0.000 0.959 38 Y CB 0.156 38.600 38.460 -0.027 0.000 1.453 38 Y HN 0.073 nan 8.280 nan 0.000 0.602 39 T N 1.739 116.019 114.554 -0.457 0.000 2.926 39 T HA 0.227 4.577 4.350 -0.000 0.000 0.307 39 T C -2.043 172.593 174.700 -0.107 0.000 1.059 39 T CA -1.018 60.883 62.100 -0.332 0.000 1.122 39 T CB 1.138 69.787 68.868 -0.366 0.000 0.972 39 T HN 0.498 nan 8.240 nan 0.000 0.545 40 P HA 0.184 nan 4.420 nan 0.000 0.257 40 P C 1.658 178.881 177.300 -0.128 0.000 1.241 40 P CA 0.138 63.160 63.100 -0.130 0.000 0.816 40 P CB -0.207 31.440 31.700 -0.088 0.000 1.150 41 G N 1.185 109.925 108.800 -0.100 0.000 2.442 41 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 41 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 41 G C 1.558 176.388 174.900 -0.117 0.000 1.141 41 G CA 0.607 45.651 45.100 -0.092 0.000 0.763 41 G HN 0.263 nan 8.290 nan 0.000 0.554 42 V N 1.204 121.038 119.914 -0.134 0.000 2.867 42 V HA 0.020 4.139 4.120 -0.000 0.000 0.260 42 V C 2.982 178.984 176.094 -0.154 0.000 1.099 42 V CA 2.052 64.271 62.300 -0.135 0.000 1.122 42 V CB -0.483 31.256 31.823 -0.140 0.000 0.708 42 V HN 0.439 nan 8.190 nan 0.000 0.490 43 A N -0.703 122.019 122.820 -0.164 0.000 2.015 43 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 43 A C 2.072 179.575 177.584 -0.135 0.000 1.163 43 A CA 1.400 53.351 52.037 -0.143 0.000 0.646 43 A CB -0.355 18.565 19.000 -0.133 0.000 0.806 43 A HN 0.589 nan 8.150 nan 0.000 0.448 44 E N 0.031 120.141 120.200 -0.149 0.000 2.031 44 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 44 E C -0.360 176.093 176.600 -0.245 0.000 0.994 44 E CA 1.692 57.987 56.400 -0.173 0.000 0.800 44 E CB -1.635 27.960 29.700 -0.175 0.000 0.752 44 E HN 0.540 nan 8.360 nan 0.000 0.447 45 P HA -0.060 nan 4.420 nan 0.000 0.220 45 P C 1.350 178.540 177.300 -0.185 0.000 1.148 45 P CA 0.930 63.760 63.100 -0.451 0.000 0.803 45 P CB -0.090 31.355 31.700 -0.425 0.000 0.782 46 C N 0.553 119.775 119.300 -0.129 0.000 2.432 46 C HA -0.061 4.399 4.460 -0.000 0.000 0.277 46 C C 2.723 177.677 174.990 -0.060 0.000 1.249 46 C CA 0.962 59.934 59.018 -0.075 0.000 1.725 46 C CB -1.345 26.348 27.740 -0.079 0.000 2.028 46 C HN 0.288 nan 8.230 nan 0.000 0.477 47 K N 0.609 120.962 120.400 -0.078 0.000 2.097 47 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 47 K C 1.975 178.554 176.600 -0.035 0.000 1.049 47 K CA 1.156 57.409 56.287 -0.056 0.000 0.933 47 K CB -0.186 32.275 32.500 -0.066 0.000 0.717 47 K HN 0.496 nan 8.250 nan 0.000 0.442 48 E N 0.897 121.071 120.200 -0.044 0.000 2.077 48 E HA -0.144 4.205 4.350 -0.000 0.000 0.193 48 E C 2.058 178.698 176.600 0.067 0.000 0.989 48 E CA 1.075 57.488 56.400 0.022 0.000 0.800 48 E CB -0.157 29.571 29.700 0.046 0.000 0.746 48 E HN 0.382 nan 8.360 nan 0.000 0.452 49 I N 0.922 121.529 120.570 0.062 0.000 2.439 49 I HA -0.178 3.992 4.170 -0.000 0.000 0.251 49 I C 2.424 178.555 176.117 0.024 0.000 1.139 49 I CA 0.796 62.131 61.300 0.058 0.000 1.438 49 I CB -0.282 37.745 38.000 0.045 0.000 1.085 49 I HN -0.028 nan 8.210 nan 0.000 0.427 50 A N 0.864 123.688 122.820 0.006 0.000 1.933 50 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 50 A C 2.460 180.046 177.584 0.004 0.000 1.175 50 A CA 1.583 53.619 52.037 -0.002 0.000 0.628 50 A CB -0.545 18.447 19.000 -0.013 0.000 0.814 50 A HN 0.359 nan 8.150 nan 0.000 0.444 51 R N -0.868 119.638 120.500 0.009 0.000 2.075 51 R HA -0.081 4.258 4.340 -0.000 0.000 0.226 51 R C -0.569 175.743 176.300 0.020 0.000 1.114 51 R CA 1.468 57.575 56.100 0.012 0.000 0.972 51 R CB 0.117 30.424 30.300 0.012 0.000 0.869 51 R HN 0.386 nan 8.270 nan 0.000 0.437 52 D N -0.446 119.973 120.400 0.032 0.000 2.402 52 D HA 0.159 4.799 4.640 -0.000 0.000 0.252 52 D C -1.953 174.373 176.300 0.045 0.000 1.294 52 D CA -2.337 51.685 54.000 0.036 0.000 0.948 52 D CB 1.999 42.824 40.800 0.041 0.000 1.202 52 D HN -0.072 nan 8.370 nan 0.000 0.561 53 P HA -0.107 nan 4.420 nan 0.000 0.218 53 P C 1.371 178.706 177.300 0.058 0.000 1.146 53 P CA 0.895 64.016 63.100 0.035 0.000 0.813 53 P CB 0.240 31.957 31.700 0.028 0.000 0.778 54 G N 0.548 109.394 108.800 0.078 0.000 2.498 54 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.219 54 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.219 54 G C 1.575 176.552 174.900 0.129 0.000 1.119 54 G CA 0.327 45.504 45.100 0.129 0.000 0.766 54 G HN 0.205 nan 8.290 nan 0.000 0.552 55 K N 0.473 120.918 120.400 0.075 0.000 2.504 55 K HA 0.082 4.401 4.320 -0.000 0.000 0.195 55 K C 2.280 178.899 176.600 0.032 0.000 1.036 55 K CA 0.118 56.431 56.287 0.043 0.000 0.984 55 K CB -0.310 32.276 32.500 0.144 0.000 0.788 55 K HN 0.290 nan 8.250 nan 0.000 0.488 56 V N 0.447 120.369 119.914 0.014 0.000 2.594 56 V HA -0.250 3.869 4.120 -0.000 0.000 0.253 56 V C 1.427 177.425 176.094 -0.160 0.000 1.069 56 V CA 1.570 63.820 62.300 -0.083 0.000 1.082 56 V CB -0.388 31.318 31.823 -0.196 0.000 0.680 56 V HN 0.219 nan 8.190 nan 0.000 0.469 57 Y N 0.359 120.625 120.300 -0.057 0.000 2.457 57 Y HA -0.032 4.517 4.550 -0.000 0.000 0.292 57 Y C 2.497 178.312 175.900 -0.141 0.000 1.125 57 Y CA 1.610 59.667 58.100 -0.072 0.000 1.254 57 Y CB -0.015 38.409 38.460 -0.059 0.000 1.012 57 Y HN 0.413 nan 8.280 nan 0.000 0.555 58 E N -1.170 118.946 120.200 -0.141 0.000 2.250 58 E HA -0.112 4.237 4.350 -0.000 0.000 0.192 58 E C 0.395 176.676 176.600 -0.531 0.000 0.986 58 E CA 0.807 56.950 56.400 -0.429 0.000 0.849 58 E CB 0.073 29.328 29.700 -0.741 0.000 0.797 58 E HN 0.492 nan 8.360 nan 0.000 0.482 59 Y N -0.189 120.113 120.300 0.003 0.000 2.500 59 Y HA 0.224 4.774 4.550 -0.000 0.000 0.246 59 Y C 0.359 176.240 175.900 -0.031 0.000 1.146 59 Y CA 0.041 58.132 58.100 -0.015 0.000 1.230 59 Y CB 0.854 39.301 38.460 -0.021 0.000 1.214 59 Y HN -0.022 nan 8.280 nan 0.000 0.526 60 T N -4.691 109.894 114.554 0.051 0.000 2.864 60 T HA 0.370 4.720 4.350 -0.000 0.000 0.289 60 T C 0.728 175.414 174.700 -0.023 0.000 1.082 60 T CA -0.619 61.477 62.100 -0.005 0.000 1.009 60 T CB 1.579 70.407 68.868 -0.066 0.000 1.234 60 T HN -0.174 nan 8.240 nan 0.000 0.526 61 S N -0.377 115.297 115.700 -0.043 0.000 2.593 61 S HA 0.109 4.578 4.470 -0.000 0.000 0.217 61 S C 1.710 176.294 174.600 -0.026 0.000 0.966 61 S CA -0.153 58.034 58.200 -0.022 0.000 0.914 61 S CB -0.391 62.791 63.200 -0.030 0.000 0.776 61 S HN 0.755 nan 8.310 nan 0.000 0.523 62 K N 1.965 122.309 120.400 -0.093 0.000 2.089 62 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 62 K C 2.141 178.776 176.600 0.059 0.000 1.048 62 K CA 1.632 57.847 56.287 -0.119 0.000 0.926 62 K CB -0.643 31.654 32.500 -0.339 0.000 0.714 62 K HN 0.434 nan 8.250 nan 0.000 0.448 63 G N 0.266 109.173 108.800 0.179 0.000 2.499 63 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.221 63 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.221 63 G C 1.245 176.297 174.900 0.254 0.000 1.109 63 G CA 1.240 46.564 45.100 0.373 0.000 0.749 63 G HN 0.417 nan 8.290 nan 0.000 0.568 64 N N -1.162 117.648 118.700 0.182 0.000 2.170 64 N HA 0.215 4.955 4.740 -0.000 0.000 0.222 64 N C -0.120 175.475 175.510 0.141 0.000 1.218 64 N CA -0.255 52.897 53.050 0.171 0.000 0.889 64 N CB 0.202 38.781 38.487 0.153 0.000 1.083 64 N HN 0.102 nan 8.380 nan 0.000 0.520 65 L N 0.909 122.217 121.223 0.141 0.000 2.292 65 L HA 0.520 4.860 4.340 -0.000 0.000 0.284 65 L C -0.658 176.347 176.870 0.225 0.000 1.065 65 L CA -0.727 54.213 54.840 0.166 0.000 0.806 65 L CB 1.656 43.783 42.059 0.113 0.000 1.175 65 L HN -0.205 nan 8.230 nan 0.000 0.431 66 V N 2.652 122.627 119.914 0.101 0.000 2.638 66 V HA 0.563 4.683 4.120 -0.000 0.000 0.306 66 V C -0.035 175.870 176.094 -0.315 0.000 1.052 66 V CA -0.700 61.504 62.300 -0.159 0.000 0.885 66 V CB 1.931 33.386 31.823 -0.614 0.000 0.999 66 V HN 0.824 nan 8.190 nan 0.000 0.424 67 A N 4.413 126.843 122.820 -0.649 0.000 2.289 67 A HA 0.697 5.017 4.320 -0.000 0.000 0.298 67 A C -0.404 176.883 177.584 -0.495 0.000 1.208 67 A CA -0.359 51.154 52.037 -0.873 0.000 0.845 67 A CB 0.795 18.837 19.000 -1.596 0.000 1.125 67 A HN 0.719 nan 8.150 nan 0.000 0.517 68 V N 4.730 124.436 119.914 -0.347 0.000 2.320 68 V HA 0.228 4.348 4.120 -0.000 0.000 0.265 68 V C -0.081 175.923 176.094 -0.150 0.000 1.048 68 V CA -0.202 61.963 62.300 -0.226 0.000 0.865 68 V CB 0.699 32.427 31.823 -0.159 0.000 1.043 68 V HN 0.593 nan 8.190 nan 0.000 0.474 69 V N 4.410 124.263 119.914 -0.101 0.000 2.435 69 V HA 0.725 4.845 4.120 -0.000 0.000 0.290 69 V C 0.127 176.266 176.094 0.075 0.000 1.030 69 V CA -0.045 62.236 62.300 -0.032 0.000 0.881 69 V CB 1.706 33.496 31.823 -0.056 0.000 0.983 69 V HN 0.827 nan 8.190 nan 0.000 0.445 70 S N 1.742 117.504 115.700 0.103 0.000 2.537 70 S HA 0.423 4.893 4.470 -0.000 0.000 0.270 70 S C -0.346 174.345 174.600 0.152 0.000 1.142 70 S CA -0.441 57.823 58.200 0.107 0.000 0.870 70 S CB 1.997 65.215 63.200 0.031 0.000 1.112 70 S HN 0.931 nan 8.310 nan 0.000 0.466 71 D N 1.408 121.870 120.400 0.102 0.000 2.395 71 D HA 0.220 4.860 4.640 -0.000 0.000 0.213 71 D C 1.202 177.514 176.300 0.020 0.000 1.110 71 D CA 0.576 54.635 54.000 0.098 0.000 0.835 71 D CB -0.307 40.525 40.800 0.053 0.000 0.965 71 D HN 1.192 nan 8.370 nan 0.000 0.505 72 G N 1.122 109.923 108.800 0.002 0.000 2.179 72 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.257 72 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.257 72 G C 1.022 175.909 174.900 -0.021 0.000 1.010 72 G CA 0.909 46.005 45.100 -0.007 0.000 0.736 72 G HN 0.631 nan 8.290 nan 0.000 0.513 73 S N -1.687 113.985 115.700 -0.047 0.000 2.527 73 S HA 0.297 4.767 4.470 -0.000 0.000 0.222 73 S C 1.233 175.809 174.600 -0.039 0.000 0.985 73 S CA 1.155 59.324 58.200 -0.051 0.000 0.921 73 S CB 0.366 63.512 63.200 -0.089 0.000 0.772 73 S HN 0.549 nan 8.310 nan 0.000 0.529 74 R N 0.948 121.428 120.500 -0.033 0.000 2.640 74 R HA 0.393 4.733 4.340 -0.000 0.000 0.240 74 R C -1.482 174.815 176.300 -0.005 0.000 1.519 74 R CA -0.386 55.703 56.100 -0.017 0.000 1.570 74 R CB -0.452 29.836 30.300 -0.020 0.000 1.446 74 R HN 0.226 nan 8.270 nan 0.000 0.738 75 I N 4.251 124.819 120.570 -0.004 0.000 2.436 75 I HA 0.064 4.234 4.170 -0.000 0.000 0.289 75 I C 1.473 177.593 176.117 0.005 0.000 1.083 75 I CA 0.361 61.661 61.300 0.000 0.000 1.372 75 I CB -0.381 37.617 38.000 -0.002 0.000 1.408 75 I HN 0.569 nan 8.210 nan 0.000 0.516 76 L N 5.532 126.760 121.223 0.008 0.000 5.518 76 L HA -0.327 4.013 4.340 -0.000 0.000 0.053 76 L C 1.473 178.354 176.870 0.018 0.000 2.611 76 L CA 1.588 56.436 54.840 0.014 0.000 1.669 76 L CB -1.548 40.519 42.059 0.013 0.000 2.768 76 L HN 0.748 nan 8.230 nan 0.000 0.930 77 G N -1.029 107.783 108.800 0.020 0.000 3.502 77 G HA2 0.493 4.453 3.960 -0.000 0.000 0.267 77 G HA3 0.493 4.453 3.960 -0.000 0.000 0.267 77 G C 0.843 175.755 174.900 0.019 0.000 1.090 77 G CA -0.053 45.062 45.100 0.025 0.000 0.795 77 G HN 0.307 nan 8.290 nan 0.000 0.535 78 L N -0.059 121.172 121.223 0.013 0.000 2.567 78 L HA 0.316 4.656 4.340 -0.000 0.000 0.225 78 L C 1.755 178.630 176.870 0.007 0.000 1.119 78 L CA 0.447 55.292 54.840 0.009 0.000 0.871 78 L CB -0.200 41.861 42.059 0.003 0.000 1.036 78 L HN 0.353 nan 8.230 nan 0.000 0.459 79 G N 1.011 109.815 108.800 0.008 0.000 2.553 79 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.242 79 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.242 79 G C -0.110 174.789 174.900 -0.002 0.000 1.277 79 G CA -0.187 44.916 45.100 0.004 0.000 0.910 79 G HN 0.262 nan 8.290 nan 0.000 0.576 80 N N 1.684 120.381 118.700 -0.004 0.000 2.402 80 N HA 0.320 5.060 4.740 -0.000 0.000 0.259 80 N C 1.410 176.918 175.510 -0.004 0.000 1.167 80 N CA 0.343 53.388 53.050 -0.008 0.000 0.949 80 N CB -0.241 38.240 38.487 -0.010 0.000 1.212 80 N HN 0.895 nan 8.380 nan 0.000 0.493 81 I N 0.073 120.640 120.570 -0.004 0.000 4.082 81 I HA 0.479 4.649 4.170 -0.000 0.000 0.337 81 I C 0.816 176.932 176.117 -0.001 0.000 1.352 81 I CA -0.379 60.919 61.300 -0.003 0.000 1.097 81 I CB -0.000 37.998 38.000 -0.004 0.000 1.048 81 I HN 0.406 nan 8.210 nan 0.000 0.393 82 G N 2.666 111.466 108.800 -0.000 0.000 2.663 82 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.686 82 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.686 82 G C -2.292 172.612 174.900 0.008 0.000 1.288 82 G CA -0.227 44.876 45.100 0.005 0.000 0.836 82 G HN 0.056 nan 8.290 nan 0.000 0.584 83 P HA -0.043 nan 4.420 nan 0.000 0.217 83 P C 2.175 179.480 177.300 0.007 0.000 1.151 83 P CA 1.360 64.471 63.100 0.018 0.000 0.828 83 P CB 0.135 31.853 31.700 0.030 0.000 0.788 84 L N -0.328 120.899 121.223 0.006 0.000 2.044 84 L HA -0.050 4.289 4.340 -0.000 0.000 0.205 84 L C 2.815 179.682 176.870 -0.006 0.000 1.075 84 L CA 1.557 56.397 54.840 0.001 0.000 0.747 84 L CB -1.266 40.794 42.059 0.003 0.000 0.903 84 L HN -0.079 nan 8.230 nan 0.000 0.435 85 A N 0.091 122.907 122.820 -0.006 0.000 2.067 85 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 85 A C 2.197 179.772 177.584 -0.015 0.000 1.158 85 A CA 1.458 53.488 52.037 -0.012 0.000 0.661 85 A CB -0.835 18.159 19.000 -0.010 0.000 0.801 85 A HN 0.459 nan 8.150 nan 0.000 0.452 86 G N -1.010 107.784 108.800 -0.010 0.000 2.880 86 G HA2 0.161 4.121 3.960 -0.000 0.000 0.209 86 G HA3 0.161 4.121 3.960 -0.000 0.000 0.209 86 G C 1.222 176.115 174.900 -0.012 0.000 1.157 86 G CA 0.603 45.698 45.100 -0.009 0.000 0.779 86 G HN 0.386 nan 8.290 nan 0.000 0.539 87 L N 1.629 122.843 121.223 -0.016 0.000 2.079 87 L HA 0.065 4.405 4.340 -0.000 0.000 0.210 87 L C -0.107 176.757 176.870 -0.010 0.000 1.081 87 L CA 1.812 56.638 54.840 -0.023 0.000 0.752 87 L CB -0.853 41.191 42.059 -0.025 0.000 0.896 87 L HN 0.038 nan 8.230 nan 0.000 0.433 88 P HA -0.116 nan 4.420 nan 0.000 0.218 88 P C 2.058 179.397 177.300 0.065 0.000 1.149 88 P CA 1.189 64.310 63.100 0.034 0.000 0.817 88 P CB 0.029 31.690 31.700 -0.066 0.000 0.785 89 V N -1.090 118.840 119.914 0.027 0.000 2.427 89 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 89 V C 2.234 178.345 176.094 0.028 0.000 1.051 89 V CA 1.602 63.922 62.300 0.034 0.000 1.048 89 V CB -1.000 30.831 31.823 0.013 0.000 0.666 89 V HN 0.091 nan 8.190 nan 0.000 0.456 90 M N -0.676 118.925 119.600 0.003 0.000 2.254 90 M HA -0.058 4.422 4.480 -0.000 0.000 0.265 90 M C 2.060 178.348 176.300 -0.019 0.000 1.066 90 M CA 1.160 56.450 55.300 -0.018 0.000 1.123 90 M CB -1.161 31.409 32.600 -0.051 0.000 1.388 90 M HN 0.421 nan 8.290 nan 0.000 0.425 91 E N -0.088 120.106 120.200 -0.010 0.000 2.106 91 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 91 E C 2.119 178.759 176.600 0.067 0.000 0.984 91 E CA 1.106 57.505 56.400 -0.003 0.000 0.806 91 E CB -0.219 29.494 29.700 0.021 0.000 0.750 91 E HN 0.594 nan 8.360 nan 0.000 0.458 92 G N 1.547 110.408 108.800 0.101 0.000 2.402 92 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.216 92 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.216 92 G C 1.642 176.620 174.900 0.130 0.000 1.162 92 G CA 0.913 46.092 45.100 0.130 0.000 0.777 92 G HN 0.073 nan 8.290 nan 0.000 0.539 93 K N 0.946 121.405 120.400 0.099 0.000 2.097 93 K HA 0.111 4.430 4.320 -0.000 0.000 0.206 93 K C 2.688 179.442 176.600 0.257 0.000 1.049 93 K CA 1.459 57.808 56.287 0.104 0.000 0.933 93 K CB -0.523 31.986 32.500 0.016 0.000 0.717 93 K HN 0.183 nan 8.250 nan 0.000 0.442 94 A N 0.625 123.560 122.820 0.191 0.000 1.902 94 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 94 A C 1.985 179.714 177.584 0.242 0.000 1.181 94 A CA 1.857 54.015 52.037 0.203 0.000 0.623 94 A CB -0.804 18.225 19.000 0.049 0.000 0.818 94 A HN 0.397 nan 8.150 nan 0.000 0.443 95 L N -1.796 119.538 121.223 0.184 0.000 2.291 95 L HA 0.052 4.392 4.340 -0.000 0.000 0.214 95 L C 1.988 178.954 176.870 0.161 0.000 1.120 95 L CA 1.285 56.219 54.840 0.158 0.000 0.799 95 L CB -0.972 41.166 42.059 0.132 0.000 0.925 95 L HN 0.253 nan 8.230 nan 0.000 0.446 96 L N -1.668 119.706 121.223 0.252 0.000 2.109 96 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 96 L C 2.511 179.553 176.870 0.287 0.000 1.086 96 L CA 1.028 56.060 54.840 0.321 0.000 0.760 96 L CB -0.570 41.722 42.059 0.389 0.000 0.910 96 L HN 0.168 nan 8.230 nan 0.000 0.437 97 F N 0.849 120.972 119.950 0.288 0.000 2.126 97 F HA -0.269 4.258 4.527 -0.000 0.000 0.299 97 F C 2.661 178.494 175.800 0.054 0.000 1.096 97 F CA 1.783 59.907 58.000 0.206 0.000 1.255 97 F CB -0.218 38.865 39.000 0.140 0.000 0.997 97 F HN -0.052 nan 8.300 nan 0.000 0.479 98 K N 0.392 120.934 120.400 0.238 0.000 2.001 98 K HA -0.160 4.159 4.320 -0.000 0.000 0.208 98 K C 2.198 178.718 176.600 -0.134 0.000 1.048 98 K CA 1.250 57.598 56.287 0.102 0.000 0.932 98 K CB -0.249 32.340 32.500 0.149 0.000 0.715 98 K HN -0.095 nan 8.250 nan 0.000 0.437 99 R N -0.655 119.633 120.500 -0.352 0.000 2.075 99 R HA 0.005 4.345 4.340 -0.000 0.000 0.232 99 R C 1.745 177.513 176.300 -0.886 0.000 1.126 99 R CA 1.774 57.340 56.100 -0.889 0.000 0.963 99 R CB -0.523 29.171 30.300 -1.009 0.000 0.858 99 R HN 0.289 nan 8.270 nan 0.000 0.435 100 F N -2.210 117.489 119.950 -0.417 0.000 2.582 100 F HA 0.362 4.888 4.527 -0.000 0.000 0.290 100 F C 2.032 177.449 175.800 -0.638 0.000 1.115 100 F CA 0.861 58.471 58.000 -0.649 0.000 1.445 100 F CB 0.096 38.515 39.000 -0.968 0.000 1.126 100 F HN 0.202 nan 8.300 nan 0.000 0.574 101 G N -1.451 107.217 108.800 -0.220 0.000 3.192 101 G HA2 0.360 4.320 3.960 -0.000 0.000 0.239 101 G HA3 0.360 4.320 3.960 -0.000 0.000 0.239 101 G C 1.399 176.288 174.900 -0.018 0.000 1.084 101 G CA 0.226 45.269 45.100 -0.095 0.000 0.784 101 G HN 0.487 nan 8.290 nan 0.000 0.540 102 G N -0.373 108.408 108.800 -0.031 0.000 2.168 102 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.257 102 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.257 102 G C 0.227 175.176 174.900 0.082 0.000 0.997 102 G CA 0.356 45.464 45.100 0.013 0.000 0.708 102 G HN 0.750 nan 8.290 nan 0.000 0.520 103 V N 1.056 121.054 119.914 0.140 0.000 2.465 103 V HA 0.264 4.383 4.120 -0.000 0.000 0.279 103 V C 0.340 176.516 176.094 0.136 0.000 1.045 103 V CA -0.696 61.702 62.300 0.163 0.000 0.938 103 V CB 1.620 33.587 31.823 0.241 0.000 0.986 103 V HN 0.262 nan 8.190 nan 0.000 0.467 104 D N 4.726 125.193 120.400 0.112 0.000 2.508 104 D HA 0.331 4.971 4.640 -0.000 0.000 0.224 104 D C 0.325 176.679 176.300 0.090 0.000 1.171 104 D CA 0.274 54.345 54.000 0.118 0.000 1.006 104 D CB 1.131 41.999 40.800 0.113 0.000 1.073 104 D HN 0.680 nan 8.370 nan 0.000 0.513 105 A N 2.330 125.181 122.820 0.051 0.000 2.316 105 A HA 0.554 4.873 4.320 -0.000 0.000 0.284 105 A C -0.730 176.927 177.584 0.122 0.000 1.115 105 A CA -0.439 51.560 52.037 -0.062 0.000 0.812 105 A CB 0.711 19.558 19.000 -0.254 0.000 1.064 105 A HN 0.420 nan 8.150 nan 0.000 0.489 106 F N 3.498 123.414 119.950 -0.057 0.000 2.561 106 F HA 0.601 5.128 4.527 -0.000 0.000 0.313 106 F C -2.496 173.270 175.800 -0.057 0.000 1.126 106 F CA -2.182 55.827 58.000 0.015 0.000 0.918 106 F CB 2.825 41.914 39.000 0.149 0.000 1.199 106 F HN 0.373 nan 8.300 nan 0.000 0.444 107 P HA 0.260 nan 4.420 nan 0.000 0.281 107 P C -0.999 176.158 177.300 -0.238 0.000 1.252 107 P CA -0.114 62.773 63.100 -0.356 0.000 0.778 107 P CB 1.444 32.938 31.700 -0.343 0.000 0.895 108 I N 5.146 125.660 120.570 -0.094 0.000 2.466 108 I HA 0.273 4.443 4.170 -0.000 0.000 0.279 108 I C 0.284 176.389 176.117 -0.020 0.000 1.033 108 I CA -0.832 60.464 61.300 -0.006 0.000 1.123 108 I CB 1.273 39.263 38.000 -0.017 0.000 1.237 108 I HN 0.233 nan 8.210 nan 0.000 0.460 109 M N 7.071 126.670 119.600 -0.002 0.000 2.108 109 M HA 0.452 4.932 4.480 -0.000 0.000 0.354 109 M C -0.099 176.223 176.300 0.038 0.000 1.229 109 M CA -0.325 54.986 55.300 0.019 0.000 1.081 109 M CB 1.015 33.620 32.600 0.008 0.000 1.606 109 M HN 0.276 nan 8.290 nan 0.000 0.467 110 I N 3.104 123.720 120.570 0.076 0.000 2.321 110 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 110 I C 0.823 177.006 176.117 0.110 0.000 0.998 110 I CA -0.422 60.925 61.300 0.079 0.000 1.227 110 I CB 1.196 39.231 38.000 0.059 0.000 1.368 110 I HN 0.620 nan 8.210 nan 0.000 0.466 111 K N 5.691 126.133 120.400 0.071 0.000 2.751 111 K HA 0.181 4.501 4.320 -0.000 0.000 0.252 111 K C -0.596 176.050 176.600 0.077 0.000 1.277 111 K CA 0.094 56.420 56.287 0.064 0.000 1.226 111 K CB 0.064 32.589 32.500 0.042 0.000 1.658 111 K HN 0.479 nan 8.250 nan 0.000 0.303 112 E N 0.917 121.190 120.200 0.122 0.000 2.415 112 E HA 0.064 4.414 4.350 -0.000 0.000 0.302 112 E C -0.769 175.937 176.600 0.177 0.000 0.907 112 E CA -0.186 56.295 56.400 0.135 0.000 0.798 112 E CB 1.091 30.874 29.700 0.139 0.000 1.315 112 E HN 0.324 nan 8.360 nan 0.000 0.396 113 Q N 2.073 121.928 119.800 0.090 0.000 2.247 113 Q HA 0.153 4.492 4.340 -0.000 0.000 0.211 113 Q C -0.030 175.979 176.000 0.016 0.000 0.861 113 Q CA -0.165 55.652 55.803 0.024 0.000 0.949 113 Q CB 0.867 29.602 28.738 -0.006 0.000 1.115 113 Q HN 0.432 nan 8.270 nan 0.000 0.507 114 E N 2.241 122.480 120.200 0.065 0.000 2.257 114 E HA 0.045 4.394 4.350 -0.000 0.000 0.278 114 E C -2.002 174.667 176.600 0.114 0.000 1.049 114 E CA -2.041 54.400 56.400 0.067 0.000 0.876 114 E CB 1.304 31.045 29.700 0.069 0.000 1.035 114 E HN -0.071 nan 8.360 nan 0.000 0.419 115 P HA -0.197 nan 4.420 nan 0.000 0.216 115 P C 0.546 178.006 177.300 0.266 0.000 1.167 115 P CA 1.933 65.141 63.100 0.181 0.000 0.914 115 P CB 0.168 32.005 31.700 0.229 0.000 0.793 116 N N -0.999 117.850 118.700 0.248 0.000 2.120 116 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 116 N C 1.661 177.262 175.510 0.152 0.000 1.024 116 N CA 1.054 54.231 53.050 0.212 0.000 0.852 116 N CB -0.302 38.292 38.487 0.179 0.000 1.003 116 N HN 0.183 nan 8.380 nan 0.000 0.424 117 K N 0.078 120.563 120.400 0.142 0.000 2.097 117 K HA -0.112 4.207 4.320 -0.000 0.000 0.205 117 K C 1.735 178.409 176.600 0.123 0.000 1.050 117 K CA 0.848 57.200 56.287 0.108 0.000 0.938 117 K CB -0.210 32.347 32.500 0.095 0.000 0.718 117 K HN 0.161 nan 8.250 nan 0.000 0.442 118 F N 1.871 121.833 119.950 0.021 0.000 2.134 118 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 118 F C 1.869 177.665 175.800 -0.007 0.000 1.097 118 F CA 1.306 59.308 58.000 0.004 0.000 1.264 118 F CB -0.094 38.905 39.000 -0.002 0.000 1.001 118 F HN -0.110 nan 8.300 nan 0.000 0.479 119 I N 0.331 121.022 120.570 0.202 0.000 2.208 119 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 119 I C 1.928 178.022 176.117 -0.037 0.000 1.097 119 I CA 1.596 62.935 61.300 0.065 0.000 1.363 119 I CB -0.594 37.444 38.000 0.063 0.000 1.051 119 I HN 0.110 nan 8.210 nan 0.000 0.413 120 D N 0.768 121.162 120.400 -0.009 0.000 2.178 120 D HA -0.110 4.530 4.640 -0.000 0.000 0.202 120 D C 2.232 178.496 176.300 -0.061 0.000 0.974 120 D CA 1.238 55.224 54.000 -0.022 0.000 0.841 120 D CB -0.111 40.693 40.800 0.005 0.000 0.953 120 D HN 0.358 nan 8.370 nan 0.000 0.478 121 I N 0.273 120.777 120.570 -0.109 0.000 2.252 121 I HA -0.208 3.961 4.170 -0.000 0.000 0.245 121 I C 2.367 178.377 176.117 -0.179 0.000 1.102 121 I CA 0.530 61.745 61.300 -0.142 0.000 1.385 121 I CB -0.073 37.815 38.000 -0.188 0.000 1.064 121 I HN -0.125 nan 8.210 nan 0.000 0.414 122 V N 0.928 120.670 119.914 -0.286 0.000 2.343 122 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 122 V C 2.386 178.422 176.094 -0.097 0.000 1.051 122 V CA 1.826 63.983 62.300 -0.238 0.000 1.036 122 V CB -0.726 30.919 31.823 -0.297 0.000 0.654 122 V HN 0.387 nan 8.190 nan 0.000 0.451 123 K N 0.346 120.703 120.400 -0.072 0.000 2.097 123 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 123 K C 2.261 178.854 176.600 -0.011 0.000 1.049 123 K CA 1.485 57.756 56.287 -0.026 0.000 0.933 123 K CB -0.399 32.089 32.500 -0.020 0.000 0.717 123 K HN 0.488 nan 8.250 nan 0.000 0.442 124 A N 1.641 124.447 122.820 -0.024 0.000 1.969 124 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 124 A C 1.949 179.537 177.584 0.006 0.000 1.169 124 A CA 1.084 53.114 52.037 -0.011 0.000 0.635 124 A CB -0.571 18.418 19.000 -0.019 0.000 0.810 124 A HN 0.470 nan 8.150 nan 0.000 0.445 125 I N -4.324 116.258 120.570 0.020 0.000 3.861 125 I HA 0.462 4.632 4.170 -0.000 0.000 0.329 125 I C 1.656 177.881 176.117 0.180 0.000 1.321 125 I CA 0.529 61.879 61.300 0.085 0.000 1.126 125 I CB 0.043 38.109 38.000 0.111 0.000 1.018 125 I HN 0.087 nan 8.210 nan 0.000 0.407 126 A N 2.322 125.214 122.820 0.121 0.000 1.969 126 A HA 0.081 4.401 4.320 -0.000 0.000 0.218 126 A C 0.175 177.830 177.584 0.119 0.000 1.169 126 A CA 1.105 53.240 52.037 0.164 0.000 0.635 126 A CB -1.609 17.445 19.000 0.090 0.000 0.810 126 A HN 0.380 nan 8.150 nan 0.000 0.445 127 P HA -0.175 nan 4.420 nan 0.000 0.218 127 P C 1.422 178.627 177.300 -0.158 0.000 1.154 127 P CA 2.034 65.098 63.100 -0.059 0.000 0.872 127 P CB -0.211 31.450 31.700 -0.065 0.000 0.790 128 T N -1.791 112.593 114.554 -0.283 0.000 2.951 128 T HA -0.004 4.346 4.350 -0.000 0.000 0.268 128 T C 0.466 174.799 174.700 -0.613 0.000 1.073 128 T CA 0.831 62.601 62.100 -0.550 0.000 1.134 128 T CB -0.503 67.828 68.868 -0.895 0.000 0.884 128 T HN -0.072 nan 8.240 nan 0.000 0.479 129 F N -0.121 119.794 119.950 -0.058 0.000 2.399 129 F HA 0.579 5.106 4.527 -0.000 0.000 0.328 129 F C 1.454 177.262 175.800 0.014 0.000 1.084 129 F CA -1.275 56.710 58.000 -0.025 0.000 1.053 129 F CB 0.923 39.916 39.000 -0.012 0.000 1.209 129 F HN -0.101 nan 8.300 nan 0.000 0.502 130 G N 0.129 109.092 108.800 0.273 0.000 2.838 130 G HA2 0.459 4.418 3.960 -0.000 0.000 0.210 130 G HA3 0.459 4.418 3.960 -0.000 0.000 0.210 130 G C 0.256 175.338 174.900 0.304 0.000 1.153 130 G CA 0.387 45.662 45.100 0.292 0.000 0.778 130 G HN 1.003 nan 8.290 nan 0.000 0.539 131 G N -0.495 108.480 108.800 0.292 0.000 2.601 131 G HA2 0.464 4.424 3.960 -0.000 0.000 0.291 131 G HA3 0.464 4.424 3.960 -0.000 0.000 0.291 131 G C -1.886 173.123 174.900 0.181 0.000 1.456 131 G CA -0.637 44.659 45.100 0.326 0.000 0.804 131 G HN -0.017 nan 8.290 nan 0.000 0.499 132 I N 1.146 121.853 120.570 0.228 0.000 2.436 132 I HA 0.378 4.547 4.170 -0.000 0.000 0.289 132 I C -0.743 175.499 176.117 0.209 0.000 1.010 132 I CA -1.128 60.210 61.300 0.063 0.000 1.098 132 I CB 1.638 39.669 38.000 0.051 0.000 1.266 132 I HN 0.574 nan 8.210 nan 0.000 0.434 133 N N 6.816 125.520 118.700 0.007 0.000 2.518 133 N HA 0.452 5.191 4.740 -0.000 0.000 0.254 133 N C -1.059 174.532 175.510 0.135 0.000 0.979 133 N CA -0.404 52.760 53.050 0.190 0.000 0.930 133 N CB 0.846 39.342 38.487 0.015 0.000 1.152 133 N HN 0.481 nan 8.380 nan 0.000 0.505 134 L N 1.644 122.982 121.223 0.192 0.000 2.426 134 L HA 0.354 4.694 4.340 -0.000 0.000 0.271 134 L C 0.313 177.290 176.870 0.177 0.000 1.169 134 L CA -0.006 54.881 54.840 0.077 0.000 0.836 134 L CB 0.718 42.708 42.059 -0.115 0.000 1.112 134 L HN 0.589 nan 8.230 nan 0.000 0.465 135 E N 1.330 121.581 120.200 0.086 0.000 2.308 135 E HA 0.231 4.580 4.350 -0.000 0.000 0.275 135 E C -1.311 175.337 176.600 0.080 0.000 0.890 135 E CA -0.558 55.925 56.400 0.138 0.000 0.754 135 E CB 1.233 30.970 29.700 0.061 0.000 1.207 135 E HN 0.464 nan 8.360 nan 0.000 0.426 136 D N 2.268 122.747 120.400 0.132 0.000 2.735 136 D HA -0.197 4.443 4.640 -0.000 0.000 0.235 136 D C -0.717 175.578 176.300 -0.009 0.000 1.175 136 D CA 1.109 55.143 54.000 0.057 0.000 0.683 136 D CB -1.092 39.719 40.800 0.019 0.000 1.008 136 D HN 0.404 nan 8.370 nan 0.000 0.416 137 I N 0.006 120.553 120.570 -0.038 0.000 2.404 137 I HA 0.483 4.652 4.170 -0.000 0.000 0.293 137 I C 1.013 177.051 176.117 -0.131 0.000 0.992 137 I CA -1.049 60.136 61.300 -0.190 0.000 1.149 137 I CB 1.659 39.409 38.000 -0.418 0.000 1.315 137 I HN 0.136 nan 8.210 nan 0.000 0.446 138 A N 4.534 127.277 122.820 -0.128 0.000 2.466 138 A HA 0.294 4.614 4.320 -0.000 0.000 0.238 138 A C 0.262 177.785 177.584 -0.101 0.000 1.074 138 A CA 0.085 52.072 52.037 -0.084 0.000 0.774 138 A CB 0.451 19.416 19.000 -0.059 0.000 1.015 138 A HN 0.686 nan 8.150 nan 0.000 0.498 139 S N 0.890 116.556 115.700 -0.058 0.000 2.578 139 S HA 0.581 5.050 4.470 -0.000 0.000 0.283 139 S C -1.188 173.463 174.600 0.084 0.000 1.195 139 S CA -0.992 57.191 58.200 -0.028 0.000 1.050 139 S CB 0.841 64.064 63.200 0.038 0.000 1.012 139 S HN 0.619 nan 8.310 nan 0.000 0.511 140 P HA 0.104 nan 4.420 nan 0.000 0.255 140 P C 0.789 178.300 177.300 0.351 0.000 1.248 140 P CA 0.138 63.476 63.100 0.397 0.000 0.807 140 P CB 0.014 31.995 31.700 0.468 0.000 1.150 141 K N 0.756 121.251 120.400 0.158 0.000 2.211 141 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 141 K C 1.999 178.563 176.600 -0.059 0.000 1.047 141 K CA 1.766 58.103 56.287 0.085 0.000 0.935 141 K CB -1.474 31.033 32.500 0.011 0.000 0.728 141 K HN 0.251 nan 8.250 nan 0.000 0.452 142 C N -0.079 119.101 119.300 -0.199 0.000 2.411 142 C HA 0.006 4.466 4.460 -0.000 0.000 0.279 142 C C 2.228 177.064 174.990 -0.257 0.000 1.288 142 C CA -0.155 58.670 59.018 -0.322 0.000 1.764 142 C CB -1.425 26.095 27.740 -0.367 0.000 1.974 142 C HN 0.353 nan 8.230 nan 0.000 0.498 143 F N 0.284 120.241 119.950 0.012 0.000 2.146 143 F HA 0.034 4.561 4.527 -0.000 0.000 0.298 143 F C 2.586 178.292 175.800 -0.157 0.000 1.096 143 F CA 1.793 59.796 58.000 0.005 0.000 1.275 143 F CB -1.344 37.710 39.000 0.090 0.000 1.008 143 F HN 0.243 nan 8.300 nan 0.000 0.480 144 Y N 0.685 120.754 120.300 -0.386 0.000 2.200 144 Y HA -0.153 4.396 4.550 -0.000 0.000 0.290 144 Y C 2.209 177.983 175.900 -0.210 0.000 1.137 144 Y CA 1.275 59.057 58.100 -0.529 0.000 1.163 144 Y CB -0.602 37.377 38.460 -0.802 0.000 0.988 144 Y HN 0.015 nan 8.280 nan 0.000 0.518 145 I N -0.574 119.889 120.570 -0.178 0.000 2.226 145 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 145 I C 2.291 178.325 176.117 -0.139 0.000 1.100 145 I CA 1.247 62.441 61.300 -0.176 0.000 1.374 145 I CB -0.474 37.455 38.000 -0.119 0.000 1.057 145 I HN 0.311 nan 8.210 nan 0.000 0.413 146 L N 1.059 122.223 121.223 -0.098 0.000 2.017 146 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 146 L C 2.478 179.329 176.870 -0.031 0.000 1.073 146 L CA 1.974 56.798 54.840 -0.027 0.000 0.745 146 L CB -0.768 41.315 42.059 0.040 0.000 0.894 146 L HN 0.266 nan 8.230 nan 0.000 0.432 147 E N -0.808 119.359 120.200 -0.055 0.000 2.058 147 E HA -0.257 4.092 4.350 -0.000 0.000 0.194 147 E C 2.232 178.756 176.600 -0.126 0.000 0.997 147 E CA 1.184 57.544 56.400 -0.067 0.000 0.801 147 E CB -0.059 29.602 29.700 -0.066 0.000 0.746 147 E HN 0.419 nan 8.360 nan 0.000 0.450 148 R N 0.126 120.475 120.500 -0.251 0.000 2.092 148 R HA -0.084 4.256 4.340 -0.000 0.000 0.231 148 R C 2.569 178.793 176.300 -0.126 0.000 1.119 148 R CA 0.869 56.817 56.100 -0.253 0.000 0.970 148 R CB -0.507 29.515 30.300 -0.462 0.000 0.864 148 R HN 0.349 nan 8.270 nan 0.000 0.440 149 L N -0.012 121.159 121.223 -0.088 0.000 2.217 149 L HA -0.051 4.289 4.340 -0.000 0.000 0.211 149 L C 2.642 179.513 176.870 0.001 0.000 1.107 149 L CA 0.831 55.656 54.840 -0.025 0.000 0.783 149 L CB -0.278 41.787 42.059 0.009 0.000 0.919 149 L HN 0.108 nan 8.230 nan 0.000 0.442 150 R N 0.025 120.524 120.500 -0.001 0.000 2.115 150 R HA -0.147 4.193 4.340 -0.000 0.000 0.230 150 R C 1.993 178.297 176.300 0.005 0.000 1.111 150 R CA 1.247 57.358 56.100 0.019 0.000 0.976 150 R CB 0.052 30.364 30.300 0.020 0.000 0.870 150 R HN 0.456 nan 8.270 nan 0.000 0.445 151 E N -0.500 119.689 120.200 -0.017 0.000 2.140 151 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 151 E C 1.697 178.292 176.600 -0.009 0.000 0.973 151 E CA 0.535 56.925 56.400 -0.017 0.000 0.829 151 E CB 0.275 29.955 29.700 -0.034 0.000 0.781 151 E HN 0.209 nan 8.360 nan 0.000 0.466 152 E N 0.401 120.593 120.200 -0.014 0.000 2.190 152 E HA 0.044 4.394 4.350 -0.000 0.000 0.191 152 E C 0.775 177.381 176.600 0.009 0.000 0.978 152 E CA 0.274 56.671 56.400 -0.006 0.000 0.839 152 E CB 0.262 29.951 29.700 -0.018 0.000 0.787 152 E HN 0.216 nan 8.360 nan 0.000 0.473 153 L N 1.946 123.180 121.223 0.019 0.000 2.439 153 L HA 0.063 4.403 4.340 -0.000 0.000 0.261 153 L C 0.759 177.657 176.870 0.047 0.000 1.153 153 L CA -0.248 54.614 54.840 0.037 0.000 0.808 153 L CB 0.476 42.566 42.059 0.051 0.000 1.126 153 L HN -0.029 nan 8.230 nan 0.000 0.460 154 D N 0.330 120.765 120.400 0.059 0.000 2.368 154 D HA 0.201 4.840 4.640 -0.000 0.000 0.218 154 D C -0.093 176.267 176.300 0.099 0.000 1.112 154 D CA -0.107 53.934 54.000 0.068 0.000 0.834 154 D CB -0.013 40.825 40.800 0.063 0.000 0.953 154 D HN 0.368 nan 8.370 nan 0.000 0.505 155 I N -4.254 116.381 120.570 0.109 0.000 2.828 155 I HA 0.601 4.771 4.170 -0.000 0.000 0.302 155 I C -2.831 173.364 176.117 0.130 0.000 1.101 155 I CA -2.994 58.393 61.300 0.144 0.000 1.031 155 I CB 2.416 40.524 38.000 0.179 0.000 1.231 155 I HN -0.372 nan 8.210 nan 0.000 0.427 156 P HA 0.111 nan 4.420 nan 0.000 0.271 156 P C -0.825 176.588 177.300 0.188 0.000 1.218 156 P CA -0.035 63.137 63.100 0.120 0.000 0.780 156 P CB 2.186 33.921 31.700 0.057 0.000 0.901 157 V N 3.922 123.949 119.914 0.188 0.000 2.914 157 V HA 0.750 4.870 4.120 -0.000 0.000 0.314 157 V C -1.528 174.792 176.094 0.377 0.000 1.084 157 V CA -0.790 61.671 62.300 0.268 0.000 0.963 157 V CB 1.835 33.762 31.823 0.173 0.000 1.025 157 V HN 0.506 nan 8.190 nan 0.000 0.432 158 F N 3.731 123.841 119.950 0.267 0.000 2.654 158 F HA 0.566 5.092 4.527 -0.000 0.000 0.308 158 F C -0.951 175.048 175.800 0.332 0.000 1.108 158 F CA -0.556 57.614 58.000 0.283 0.000 0.957 158 F CB 1.840 41.079 39.000 0.399 0.000 1.309 158 F HN 0.701 nan 8.300 nan 0.000 0.446 159 H N 3.599 122.528 119.070 -0.234 0.000 2.991 159 H HA 0.203 4.758 4.556 -0.000 0.000 0.304 159 H C -0.185 174.945 175.328 -0.330 0.000 1.040 159 H CA -0.470 55.489 56.048 -0.148 0.000 1.410 159 H CB 1.334 31.010 29.762 -0.143 0.000 1.529 159 H HN 0.826 nan 8.280 nan 0.000 0.509 160 D N 3.251 123.642 120.400 -0.015 0.000 2.133 160 D HA -0.199 4.440 4.640 -0.000 0.000 0.195 160 D C 0.976 177.112 176.300 -0.274 0.000 0.997 160 D CA 2.094 56.071 54.000 -0.038 0.000 0.840 160 D CB 0.327 41.207 40.800 0.134 0.000 0.947 160 D HN 0.748 nan 8.370 nan 0.000 0.452 161 D N -0.688 119.414 120.400 -0.497 0.000 2.228 161 D HA -0.164 4.476 4.640 -0.000 0.000 0.203 161 D C 1.997 178.002 176.300 -0.492 0.000 0.988 161 D CA 0.937 54.654 54.000 -0.472 0.000 0.864 161 D CB 0.067 40.573 40.800 -0.490 0.000 0.928 161 D HN 0.423 nan 8.370 nan 0.000 0.469 162 Q N -0.186 119.217 119.800 -0.662 0.000 2.080 162 Q HA 0.029 4.369 4.340 -0.000 0.000 0.195 162 Q C 2.257 178.095 176.000 -0.269 0.000 0.989 162 Q CA 0.436 56.019 55.803 -0.368 0.000 0.838 162 Q CB -0.054 28.534 28.738 -0.249 0.000 0.915 162 Q HN 0.234 nan 8.270 nan 0.000 0.482 163 Q N 0.180 119.743 119.800 -0.395 0.000 2.119 163 Q HA -0.084 4.256 4.340 -0.000 0.000 0.201 163 Q C 2.014 177.959 176.000 -0.091 0.000 0.972 163 Q CA 1.240 56.829 55.803 -0.356 0.000 0.847 163 Q CB -0.219 28.047 28.738 -0.787 0.000 0.903 163 Q HN 0.448 nan 8.270 nan 0.000 0.433 164 G N 0.333 109.106 108.800 -0.045 0.000 2.402 164 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 164 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 164 G C 1.396 176.397 174.900 0.169 0.000 1.162 164 G CA 1.212 46.510 45.100 0.330 0.000 0.777 164 G HN 0.239 nan 8.290 nan 0.000 0.539 165 T N 1.836 116.420 114.554 0.049 0.000 2.684 165 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 165 T C 2.824 177.576 174.700 0.085 0.000 1.036 165 T CA 1.679 63.807 62.100 0.047 0.000 1.148 165 T CB -0.450 68.365 68.868 -0.090 0.000 0.863 165 T HN 0.367 nan 8.240 nan 0.000 0.436 166 A N 1.508 124.351 122.820 0.038 0.000 1.908 166 A HA 0.065 4.385 4.320 -0.000 0.000 0.218 166 A C 2.660 180.303 177.584 0.100 0.000 1.181 166 A CA 2.048 54.123 52.037 0.064 0.000 0.627 166 A CB -1.196 17.817 19.000 0.021 0.000 0.818 166 A HN 0.526 nan 8.150 nan 0.000 0.445 167 A N -0.657 122.235 122.820 0.120 0.000 1.877 167 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 167 A C 2.215 179.862 177.584 0.105 0.000 1.186 167 A CA 1.946 54.057 52.037 0.124 0.000 0.620 167 A CB -0.956 18.146 19.000 0.169 0.000 0.822 167 A HN 0.469 nan 8.150 nan 0.000 0.443 168 V N -0.523 119.458 119.914 0.112 0.000 2.548 168 V HA -0.165 3.955 4.120 -0.000 0.000 0.249 168 V C 2.497 178.664 176.094 0.120 0.000 1.055 168 V CA 1.643 63.997 62.300 0.090 0.000 1.065 168 V CB -0.543 31.327 31.823 0.078 0.000 0.681 168 V HN 0.354 nan 8.190 nan 0.000 0.462 169 V N -0.149 119.868 119.914 0.171 0.000 2.358 169 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 169 V C 2.357 178.580 176.094 0.215 0.000 1.047 169 V CA 1.920 64.371 62.300 0.251 0.000 1.035 169 V CB -0.455 31.555 31.823 0.312 0.000 0.658 169 V HN 0.516 nan 8.190 nan 0.000 0.452 170 L N 0.994 122.298 121.223 0.135 0.000 2.046 170 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 170 L C 2.451 179.370 176.870 0.083 0.000 1.077 170 L CA 2.317 57.208 54.840 0.085 0.000 0.747 170 L CB -1.000 41.095 42.059 0.060 0.000 0.896 170 L HN 0.216 nan 8.230 nan 0.000 0.432 171 A N -0.424 122.446 122.820 0.082 0.000 1.883 171 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 171 A C 2.348 179.981 177.584 0.082 0.000 1.186 171 A CA 1.761 53.833 52.037 0.059 0.000 0.624 171 A CB -1.627 17.393 19.000 0.034 0.000 0.822 171 A HN 0.534 nan 8.150 nan 0.000 0.444 172 G N -0.531 108.353 108.800 0.139 0.000 2.402 172 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.216 172 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.216 172 G C 1.479 176.555 174.900 0.293 0.000 1.162 172 G CA 1.136 46.361 45.100 0.208 0.000 0.777 172 G HN 0.488 nan 8.290 nan 0.000 0.539 173 L N 0.533 121.894 121.223 0.230 0.000 2.056 173 L HA 0.128 4.468 4.340 -0.000 0.000 0.207 173 L C 2.692 179.570 176.870 0.013 0.000 1.078 173 L CA 1.268 56.119 54.840 0.018 0.000 0.749 173 L CB -0.470 41.528 42.059 -0.102 0.000 0.901 173 L HN 0.199 nan 8.230 nan 0.000 0.433 174 L N -0.294 120.947 121.223 0.031 0.000 2.012 174 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 174 L C 2.284 179.165 176.870 0.019 0.000 1.073 174 L CA 1.503 56.352 54.840 0.015 0.000 0.748 174 L CB -0.791 41.279 42.059 0.018 0.000 0.891 174 L HN 0.387 nan 8.230 nan 0.000 0.431 175 N N -0.165 118.558 118.700 0.037 0.000 2.270 175 N HA -0.076 4.664 4.740 -0.000 0.000 0.181 175 N C 1.834 177.367 175.510 0.038 0.000 1.016 175 N CA 1.296 54.365 53.050 0.032 0.000 0.870 175 N CB -0.192 38.314 38.487 0.032 0.000 0.979 175 N HN 0.297 nan 8.380 nan 0.000 0.431 176 A N 1.168 124.026 122.820 0.063 0.000 1.902 176 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 176 A C 2.322 179.912 177.584 0.009 0.000 1.181 176 A CA 0.849 52.922 52.037 0.060 0.000 0.623 176 A CB -0.675 18.388 19.000 0.104 0.000 0.818 176 A HN 0.198 nan 8.150 nan 0.000 0.443 177 L N -0.797 120.419 121.223 -0.012 0.000 2.093 177 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 177 L C 2.554 179.417 176.870 -0.013 0.000 1.085 177 L CA 1.565 56.390 54.840 -0.025 0.000 0.755 177 L CB -0.413 41.626 42.059 -0.034 0.000 0.904 177 L HN 0.354 nan 8.230 nan 0.000 0.435 178 K N -0.380 120.018 120.400 -0.004 0.000 2.097 178 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 178 K C 2.036 178.636 176.600 -0.001 0.000 1.049 178 K CA 1.141 57.426 56.287 -0.002 0.000 0.933 178 K CB -0.159 32.342 32.500 0.001 0.000 0.717 178 K HN 0.112 nan 8.250 nan 0.000 0.442 179 V N 1.221 121.136 119.914 0.003 0.000 2.358 179 V HA -0.186 3.933 4.120 -0.000 0.000 0.246 179 V C 2.213 178.306 176.094 -0.001 0.000 1.047 179 V CA 1.824 64.126 62.300 0.003 0.000 1.035 179 V CB -0.320 31.509 31.823 0.010 0.000 0.658 179 V HN 0.247 nan 8.190 nan 0.000 0.452 180 V N -1.415 118.496 119.914 -0.005 0.000 3.461 180 V HA 0.443 4.563 4.120 -0.000 0.000 0.267 180 V C 1.513 177.600 176.094 -0.012 0.000 1.186 180 V CA 0.734 63.029 62.300 -0.010 0.000 1.154 180 V CB -0.754 31.059 31.823 -0.016 0.000 0.802 180 V HN 0.787 nan 8.190 nan 0.000 0.474 181 G N 0.490 109.284 108.800 -0.011 0.000 2.225 181 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.264 181 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.264 181 G C -0.053 174.838 174.900 -0.015 0.000 1.060 181 G CA 0.572 45.665 45.100 -0.011 0.000 0.833 181 G HN 0.677 nan 8.290 nan 0.000 0.498 182 K N -0.297 120.091 120.400 -0.019 0.000 2.259 182 K HA 0.507 4.826 4.320 -0.000 0.000 0.249 182 K C 0.210 176.796 176.600 -0.024 0.000 0.942 182 K CA -0.900 55.373 56.287 -0.023 0.000 0.816 182 K CB 1.786 34.267 32.500 -0.031 0.000 1.155 182 K HN 0.130 nan 8.250 nan 0.000 0.428 183 K N 1.895 122.281 120.400 -0.023 0.000 2.205 183 K HA 0.190 4.510 4.320 -0.000 0.000 0.279 183 K C 1.009 177.592 176.600 -0.029 0.000 1.027 183 K CA -0.192 56.081 56.287 -0.022 0.000 0.932 183 K CB 1.126 33.616 32.500 -0.017 0.000 1.032 183 K HN 0.567 nan 8.250 nan 0.000 0.466 184 I N 2.031 122.584 120.570 -0.029 0.000 2.567 184 I HA -0.263 3.907 4.170 -0.000 0.000 0.257 184 I C 1.522 177.619 176.117 -0.033 0.000 1.184 184 I CA 1.526 62.805 61.300 -0.036 0.000 1.451 184 I CB 0.185 38.167 38.000 -0.031 0.000 1.089 184 I HN 0.630 nan 8.210 nan 0.000 0.441 185 S N -1.282 114.403 115.700 -0.025 0.000 2.605 185 S HA 0.150 4.620 4.470 -0.000 0.000 0.217 185 S C 1.030 175.617 174.600 -0.022 0.000 0.958 185 S CA -0.232 57.955 58.200 -0.022 0.000 0.919 185 S CB -0.025 63.166 63.200 -0.015 0.000 0.780 185 S HN 0.578 nan 8.310 nan 0.000 0.507 186 E N 0.710 120.895 120.200 -0.026 0.000 2.601 186 E HA 0.285 4.635 4.350 -0.000 0.000 0.219 186 E C 0.158 176.741 176.600 -0.030 0.000 0.964 186 E CA -0.250 56.136 56.400 -0.024 0.000 1.050 186 E CB 0.601 30.288 29.700 -0.020 0.000 1.068 186 E HN 0.757 nan 8.360 nan 0.000 0.496 187 I N -1.167 119.380 120.570 -0.038 0.000 2.677 187 I HA 0.343 4.513 4.170 -0.000 0.000 0.305 187 I C -0.020 176.069 176.117 -0.047 0.000 0.988 187 I CA -0.471 60.801 61.300 -0.047 0.000 1.260 187 I CB 1.417 39.380 38.000 -0.063 0.000 1.410 187 I HN -0.348 nan 8.210 nan 0.000 0.523 188 T N 6.163 120.689 114.554 -0.047 0.000 2.767 188 T HA 0.540 4.890 4.350 -0.000 0.000 0.284 188 T C -0.612 174.055 174.700 -0.054 0.000 0.973 188 T CA -0.269 61.806 62.100 -0.042 0.000 0.996 188 T CB 1.072 69.921 68.868 -0.031 0.000 0.927 188 T HN 0.515 nan 8.240 nan 0.000 0.456 189 L N 3.583 124.773 121.223 -0.054 0.000 2.307 189 L HA 0.799 5.139 4.340 -0.000 0.000 0.284 189 L C -0.395 176.455 176.870 -0.034 0.000 1.023 189 L CA -0.660 54.141 54.840 -0.065 0.000 0.810 189 L CB 1.004 43.018 42.059 -0.075 0.000 1.231 189 L HN 0.687 nan 8.230 nan 0.000 0.423 190 A N 5.658 128.457 122.820 -0.035 0.000 2.322 190 A HA 0.586 4.906 4.320 -0.000 0.000 0.327 190 A C -1.134 176.489 177.584 0.065 0.000 1.394 190 A CA -0.426 51.641 52.037 0.050 0.000 0.921 190 A CB 0.182 19.209 19.000 0.045 0.000 1.153 190 A HN 0.681 nan 8.150 nan 0.000 0.523 191 L N 3.641 124.957 121.223 0.154 0.000 2.265 191 L HA 0.658 4.998 4.340 -0.000 0.000 0.289 191 L C -1.517 175.596 176.870 0.404 0.000 1.033 191 L CA -0.368 54.581 54.840 0.181 0.000 0.814 191 L CB 0.311 42.423 42.059 0.088 0.000 1.203 191 L HN 0.492 nan 8.230 nan 0.000 0.423 192 F N 4.826 124.771 119.950 -0.008 0.000 2.335 192 F HA 0.732 5.258 4.527 -0.001 0.000 0.365 192 F C 0.934 176.782 175.800 0.080 0.000 1.122 192 F CA -0.842 57.161 58.000 0.004 0.000 1.151 192 F CB 0.683 39.675 39.000 -0.014 0.000 1.282 192 F HN 0.646 nan 8.300 nan 0.000 0.513 193 G N 1.801 110.714 108.800 0.189 0.000 3.055 193 G HA2 0.388 4.348 3.960 -0.000 0.000 0.685 193 G HA3 0.388 4.348 3.960 -0.000 0.000 0.685 193 G C -0.558 174.419 174.900 0.128 0.000 1.212 193 G CA -0.518 44.687 45.100 0.176 0.000 0.822 193 G HN 1.047 nan 8.290 nan 0.000 0.610 194 A N 1.283 124.127 122.820 0.040 0.000 2.643 194 A HA 0.806 5.126 4.320 -0.000 0.000 0.295 194 A C 1.271 178.937 177.584 0.137 0.000 1.065 194 A CA 1.141 53.190 52.037 0.019 0.000 0.986 194 A CB -0.068 18.762 19.000 -0.283 0.000 1.212 194 A HN 2.123 nan 8.150 nan 0.000 0.516 195 G N -1.295 107.623 108.800 0.196 0.000 2.531 195 G HA2 0.451 4.410 3.960 -0.000 0.000 0.253 195 G HA3 0.451 4.410 3.960 -0.000 0.000 0.253 195 G C 1.327 176.458 174.900 0.385 0.000 1.439 195 G CA 0.246 45.516 45.100 0.282 0.000 1.056 195 G HN 0.670 nan 8.290 nan 0.000 0.555 196 A N -0.559 122.365 122.820 0.173 0.000 1.884 196 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 196 A C 2.734 180.297 177.584 -0.037 0.000 1.197 196 A CA 3.363 55.392 52.037 -0.012 0.000 0.637 196 A CB -1.131 17.755 19.000 -0.189 0.000 0.827 196 A HN 1.305 nan 8.150 nan 0.000 0.450 197 A N -1.058 121.616 122.820 -0.242 0.000 1.872 197 A HA 0.243 4.563 4.320 -0.000 0.000 0.214 197 A C 2.482 179.696 177.584 -0.617 0.000 1.187 197 A CA 1.801 53.472 52.037 -0.611 0.000 0.614 197 A CB -1.454 16.863 19.000 -1.137 0.000 0.826 197 A HN 0.803 nan 8.150 nan 0.000 0.442 198 G N -1.126 107.455 108.800 -0.364 0.000 2.459 198 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 198 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 198 G C 1.498 176.449 174.900 0.086 0.000 1.183 198 G CA 1.271 46.396 45.100 0.042 0.000 0.776 198 G HN 0.439 nan 8.290 nan 0.000 0.552 199 F N 2.317 122.269 119.950 0.003 0.000 2.146 199 F HA 0.174 4.701 4.527 -0.000 0.000 0.298 199 F C 2.825 178.632 175.800 0.012 0.000 1.096 199 F CA 1.108 59.084 58.000 -0.039 0.000 1.275 199 F CB -0.324 38.599 39.000 -0.130 0.000 1.008 199 F HN 0.227 nan 8.300 nan 0.000 0.480 200 A N -0.627 122.261 122.820 0.114 0.000 1.940 200 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 200 A C 2.196 179.723 177.584 -0.095 0.000 1.176 200 A CA 2.363 54.412 52.037 0.020 0.000 0.631 200 A CB -1.420 17.604 19.000 0.041 0.000 0.814 200 A HN 0.432 nan 8.150 nan 0.000 0.446 201 T N -0.105 114.403 114.554 -0.077 0.000 2.777 201 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 201 T C 1.839 176.491 174.700 -0.080 0.000 1.040 201 T CA 1.433 63.525 62.100 -0.015 0.000 1.141 201 T CB -0.355 68.595 68.868 0.138 0.000 0.868 201 T HN 0.345 nan 8.240 nan 0.000 0.444 202 L N 1.505 122.624 121.223 -0.173 0.000 2.042 202 L HA -0.015 4.325 4.340 -0.000 0.000 0.210 202 L C 2.496 179.171 176.870 -0.325 0.000 1.076 202 L CA 1.807 56.495 54.840 -0.254 0.000 0.749 202 L CB -0.524 41.324 42.059 -0.351 0.000 0.893 202 L HN 0.086 nan 8.230 nan 0.000 0.432 203 R N -0.577 119.646 120.500 -0.463 0.000 2.070 203 R HA -0.164 4.175 4.340 -0.000 0.000 0.233 203 R C 2.152 178.391 176.300 -0.102 0.000 1.137 203 R CA 2.035 57.949 56.100 -0.311 0.000 0.945 203 R CB -0.236 29.905 30.300 -0.266 0.000 0.845 203 R HN 0.375 nan 8.270 nan 0.000 0.430 204 I N 0.897 121.424 120.570 -0.071 0.000 2.286 204 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 204 I C 2.207 178.314 176.117 -0.016 0.000 1.104 204 I CA 0.887 62.179 61.300 -0.012 0.000 1.397 204 I CB -0.930 37.078 38.000 0.013 0.000 1.072 204 I HN 0.233 nan 8.210 nan 0.000 0.417 205 L N 0.668 121.869 121.223 -0.036 0.000 2.046 205 L HA -0.195 4.144 4.340 -0.000 0.000 0.208 205 L C 2.802 179.648 176.870 -0.040 0.000 1.077 205 L CA 2.316 57.136 54.840 -0.034 0.000 0.747 205 L CB -1.287 40.746 42.059 -0.043 0.000 0.896 205 L HN 0.382 nan 8.230 nan 0.000 0.432 206 T N -4.053 110.465 114.554 -0.060 0.000 2.821 206 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 206 T C 1.696 176.386 174.700 -0.017 0.000 1.046 206 T CA 1.175 63.246 62.100 -0.049 0.000 1.139 206 T CB -0.385 68.438 68.868 -0.075 0.000 0.871 206 T HN 0.343 nan 8.240 nan 0.000 0.454 207 E N 1.169 121.367 120.200 -0.003 0.000 2.347 207 E HA 0.196 4.545 4.350 -0.000 0.000 0.196 207 E C 2.075 178.683 176.600 0.014 0.000 1.008 207 E CA 0.565 56.977 56.400 0.020 0.000 0.852 207 E CB -0.135 29.588 29.700 0.038 0.000 0.783 207 E HN 0.706 nan 8.360 nan 0.000 0.505 208 A N -0.461 122.362 122.820 0.004 0.000 2.275 208 A HA 0.352 4.672 4.320 -0.000 0.000 0.212 208 A C 1.520 179.103 177.584 -0.003 0.000 1.201 208 A CA 0.783 52.823 52.037 0.004 0.000 0.843 208 A CB 0.345 19.347 19.000 0.004 0.000 0.873 208 A HN 0.327 nan 8.150 nan 0.000 0.492 209 G N -1.755 107.040 108.800 -0.007 0.000 2.901 209 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.194 209 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.194 209 G C 0.137 175.025 174.900 -0.020 0.000 1.020 209 G CA -0.072 45.021 45.100 -0.011 0.000 0.787 209 G HN 0.545 nan 8.290 nan 0.000 0.477 210 V N 2.847 122.743 119.914 -0.029 0.000 2.599 210 V HA 0.207 4.327 4.120 -0.000 0.000 0.300 210 V C 0.721 176.794 176.094 -0.036 0.000 1.034 210 V CA 0.462 62.738 62.300 -0.039 0.000 1.115 210 V CB 0.970 32.761 31.823 -0.052 0.000 0.934 210 V HN 0.324 nan 8.190 nan 0.000 0.485 211 K N 6.881 127.261 120.400 -0.034 0.000 2.312 211 K HA 0.205 4.525 4.320 -0.000 0.000 0.287 211 K C -1.709 174.867 176.600 -0.039 0.000 1.062 211 K CA -1.380 54.889 56.287 -0.029 0.000 0.934 211 K CB 1.002 33.488 32.500 -0.023 0.000 1.027 211 K HN 0.371 nan 8.250 nan 0.000 0.478 212 P HA -0.293 nan 4.420 nan 0.000 0.216 212 P C 1.044 178.314 177.300 -0.050 0.000 1.157 212 P CA 1.352 64.416 63.100 -0.060 0.000 0.880 212 P CB 0.169 31.833 31.700 -0.059 0.000 0.791 213 E N -0.271 119.908 120.200 -0.035 0.000 2.267 213 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 213 E C 0.881 177.463 176.600 -0.030 0.000 0.998 213 E CA 1.287 57.669 56.400 -0.029 0.000 0.830 213 E CB -1.453 28.235 29.700 -0.020 0.000 0.751 213 E HN 0.457 nan 8.360 nan 0.000 0.491 214 N N 0.598 119.278 118.700 -0.033 0.000 2.322 214 N HA 0.086 4.826 4.740 -0.000 0.000 0.194 214 N C -0.616 174.871 175.510 -0.037 0.000 1.126 214 N CA -0.239 52.791 53.050 -0.032 0.000 0.845 214 N CB 0.879 39.346 38.487 -0.033 0.000 0.976 214 N HN -0.063 nan 8.380 nan 0.000 0.475 215 V N 1.431 121.320 119.914 -0.042 0.000 2.435 215 V HA 0.354 4.473 4.120 -0.000 0.000 0.290 215 V C -0.100 175.973 176.094 -0.035 0.000 1.030 215 V CA -0.718 61.557 62.300 -0.042 0.000 0.881 215 V CB 1.660 33.449 31.823 -0.057 0.000 0.983 215 V HN 0.089 nan 8.190 nan 0.000 0.445 216 R N 3.115 123.605 120.500 -0.017 0.000 2.247 216 R HA 0.524 4.864 4.340 -0.000 0.000 0.329 216 R C -0.889 175.409 176.300 -0.002 0.000 1.014 216 R CA -0.299 55.793 56.100 -0.014 0.000 0.907 216 R CB 1.304 31.606 30.300 0.003 0.000 1.146 216 R HN 0.530 nan 8.270 nan 0.000 0.499 217 V N 4.262 124.150 119.914 -0.044 0.000 2.408 217 V HA 0.244 4.364 4.120 -0.000 0.000 0.267 217 V C 0.072 176.096 176.094 -0.117 0.000 1.047 217 V CA -0.672 61.592 62.300 -0.061 0.000 0.937 217 V CB 1.442 33.200 31.823 -0.109 0.000 0.999 217 V HN 0.379 nan 8.190 nan 0.000 0.472 218 V N 5.307 125.129 119.914 -0.153 0.000 2.394 218 V HA 0.562 4.681 4.120 -0.000 0.000 0.282 218 V C 0.085 176.043 176.094 -0.226 0.000 1.031 218 V CA -0.261 61.855 62.300 -0.308 0.000 0.881 218 V CB 1.433 32.789 31.823 -0.779 0.000 0.982 218 V HN 0.852 nan 8.190 nan 0.000 0.451 219 E N 2.854 122.959 120.200 -0.159 0.000 2.446 219 E HA 0.533 4.883 4.350 -0.000 0.000 0.276 219 E C -1.202 175.418 176.600 0.034 0.000 0.969 219 E CA -0.856 55.512 56.400 -0.054 0.000 0.800 219 E CB 2.460 32.091 29.700 -0.114 0.000 1.341 219 E HN 0.467 nan 8.360 nan 0.000 0.460 220 L N 1.547 122.840 121.223 0.117 0.000 2.315 220 L HA 0.310 4.649 4.340 -0.000 0.000 0.283 220 L C -0.388 176.541 176.870 0.099 0.000 1.089 220 L CA -0.521 54.367 54.840 0.080 0.000 0.833 220 L CB 0.581 42.682 42.059 0.069 0.000 1.170 220 L HN 0.043 nan 8.230 nan 0.000 0.442 221 V N 4.069 124.008 119.914 0.041 0.000 2.407 221 V HA 0.316 4.436 4.120 -0.000 0.000 0.291 221 V C 0.253 176.335 176.094 -0.020 0.000 1.018 221 V CA -0.690 61.615 62.300 0.008 0.000 0.842 221 V CB 1.358 33.193 31.823 0.020 0.000 0.996 221 V HN 0.905 nan 8.190 nan 0.000 0.426 222 N N 3.777 122.454 118.700 -0.039 0.000 2.800 222 N HA -0.217 4.523 4.740 -0.000 0.000 0.250 222 N C 1.110 176.606 175.510 -0.024 0.000 1.078 222 N CA 1.557 54.586 53.050 -0.035 0.000 0.804 222 N CB -1.101 37.367 38.487 -0.031 0.000 1.135 222 N HN 1.568 nan 8.380 nan 0.000 0.565 223 G N -0.901 107.889 108.800 -0.017 0.000 2.176 223 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.232 223 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.232 223 G C -0.141 174.756 174.900 -0.005 0.000 0.986 223 G CA 0.668 45.763 45.100 -0.008 0.000 0.643 223 G HN 0.481 nan 8.290 nan 0.000 0.522 224 K N 0.425 120.817 120.400 -0.013 0.000 2.422 224 K HA 0.514 4.833 4.320 -0.000 0.000 0.251 224 K C -3.010 173.564 176.600 -0.043 0.000 0.933 224 K CA -2.289 53.984 56.287 -0.023 0.000 0.798 224 K CB 2.720 35.205 32.500 -0.025 0.000 1.238 224 K HN -0.116 nan 8.250 nan 0.000 0.428 225 P HA 0.012 nan 4.420 nan 0.000 0.262 225 P C -1.068 176.138 177.300 -0.157 0.000 1.199 225 P CA 0.252 63.269 63.100 -0.139 0.000 0.763 225 P CB 0.463 32.044 31.700 -0.200 0.000 0.790 226 R N 3.608 124.021 120.500 -0.146 0.000 2.668 226 R HA 0.461 4.800 4.340 -0.000 0.000 0.272 226 R C -0.848 175.370 176.300 -0.136 0.000 1.019 226 R CA -0.912 55.112 56.100 -0.128 0.000 0.894 226 R CB 1.371 31.632 30.300 -0.065 0.000 1.228 226 R HN 0.298 nan 8.270 nan 0.000 0.460 227 I N 4.873 125.364 120.570 -0.132 0.000 2.471 227 I HA 0.096 4.265 4.170 -0.000 0.000 0.286 227 I C 0.407 176.483 176.117 -0.068 0.000 1.079 227 I CA -0.208 61.023 61.300 -0.115 0.000 1.398 227 I CB 0.672 38.612 38.000 -0.099 0.000 1.403 227 I HN 0.409 nan 8.210 nan 0.000 0.530 228 L N 6.644 127.828 121.223 -0.065 0.000 2.456 228 L HA 0.222 4.562 4.340 -0.000 0.000 0.272 228 L C 0.516 177.370 176.870 -0.027 0.000 1.189 228 L CA 0.064 54.886 54.840 -0.029 0.000 0.846 228 L CB 0.531 42.556 42.059 -0.056 0.000 1.111 228 L HN 0.682 nan 8.230 nan 0.000 0.475 229 T N -2.584 111.966 114.554 -0.007 0.000 2.906 229 T HA 0.213 4.563 4.350 -0.000 0.000 0.295 229 T C 0.772 175.470 174.700 -0.002 0.000 1.061 229 T CA -0.319 61.775 62.100 -0.011 0.000 1.000 229 T CB 1.748 70.608 68.868 -0.012 0.000 1.103 229 T HN 0.587 nan 8.240 nan 0.000 0.486 230 S N 0.256 115.952 115.700 -0.006 0.000 2.500 230 S HA -0.140 4.330 4.470 -0.000 0.000 0.239 230 S C 1.247 175.848 174.600 0.002 0.000 0.989 230 S CA 0.970 59.169 58.200 -0.001 0.000 0.951 230 S CB -0.669 62.529 63.200 -0.003 0.000 0.759 230 S HN 0.884 nan 8.310 nan 0.000 0.523 231 D N 0.799 121.199 120.400 -0.001 0.000 2.340 231 D HA 0.083 4.723 4.640 -0.000 0.000 0.220 231 D C 0.603 176.901 176.300 -0.003 0.000 1.039 231 D CA -0.077 53.922 54.000 -0.003 0.000 0.866 231 D CB -0.116 40.681 40.800 -0.006 0.000 0.913 231 D HN 0.407 nan 8.370 nan 0.000 0.523 232 L N 0.584 121.808 121.223 0.003 0.000 2.416 232 L HA 0.201 4.541 4.340 -0.000 0.000 0.262 232 L C 0.616 177.486 176.870 -0.000 0.000 1.093 232 L CA -0.767 54.073 54.840 0.001 0.000 0.801 232 L CB 1.090 43.160 42.059 0.019 0.000 1.191 232 L HN -0.225 nan 8.230 nan 0.000 0.459 233 D N 1.529 121.917 120.400 -0.020 0.000 2.688 233 D HA 0.124 4.764 4.640 -0.000 0.000 0.228 233 D C 1.294 177.575 176.300 -0.031 0.000 1.116 233 D CA 0.080 54.062 54.000 -0.030 0.000 1.023 233 D CB 0.241 41.009 40.800 -0.053 0.000 1.100 233 D HN 0.411 nan 8.370 nan 0.000 0.487 234 L N 0.693 121.931 121.223 0.023 0.000 2.051 234 L HA -0.229 4.111 4.340 -0.000 0.000 0.214 234 L C 2.258 179.165 176.870 0.061 0.000 1.076 234 L CA 1.201 56.104 54.840 0.105 0.000 0.758 234 L CB -0.290 41.833 42.059 0.106 0.000 0.890 234 L HN 0.234 nan 8.230 nan 0.000 0.433 235 E N 0.677 120.878 120.200 0.002 0.000 2.150 235 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 235 E C 2.096 178.630 176.600 -0.111 0.000 0.985 235 E CA 1.416 57.793 56.400 -0.039 0.000 0.814 235 E CB -0.025 29.662 29.700 -0.021 0.000 0.752 235 E HN 0.294 nan 8.360 nan 0.000 0.466 236 K N -0.320 120.009 120.400 -0.118 0.000 2.062 236 K HA -0.020 4.299 4.320 -0.000 0.000 0.205 236 K C 2.031 178.487 176.600 -0.241 0.000 1.051 236 K CA 1.040 57.232 56.287 -0.159 0.000 0.941 236 K CB -0.058 32.367 32.500 -0.126 0.000 0.719 236 K HN 0.194 nan 8.250 nan 0.000 0.440 237 L N -0.163 120.864 121.223 -0.326 0.000 2.179 237 L HA 0.017 4.357 4.340 -0.000 0.000 0.208 237 L C 0.170 176.456 176.870 -0.974 0.000 1.096 237 L CA 0.492 54.934 54.840 -0.664 0.000 0.779 237 L CB 0.133 41.701 42.059 -0.818 0.000 0.922 237 L HN 0.048 nan 8.230 nan 0.000 0.443 238 F N -0.545 119.326 119.950 -0.133 0.000 2.686 238 F HA 0.387 4.913 4.527 -0.000 0.000 0.365 238 F C -2.399 173.258 175.800 -0.238 0.000 1.196 238 F CA -2.779 55.121 58.000 -0.167 0.000 1.198 238 F CB 0.165 39.052 39.000 -0.188 0.000 1.454 238 F HN -0.312 nan 8.300 nan 0.000 0.539 239 P HA -0.050 nan 4.420 nan 0.000 0.263 239 P C -0.495 176.583 177.300 -0.369 0.000 1.175 239 P CA 0.888 63.731 63.100 -0.428 0.000 0.761 239 P CB 0.102 31.444 31.700 -0.597 0.000 0.794 240 Y N 0.859 121.148 120.300 -0.019 0.000 4.929 240 Y HA -0.256 4.293 4.550 -0.000 0.000 0.253 240 Y C 1.221 177.023 175.900 -0.162 0.000 0.946 240 Y CA 0.898 58.996 58.100 -0.004 0.000 1.905 240 Y CB -2.345 36.158 38.460 0.072 0.000 1.400 240 Y HN 0.476 nan 8.280 nan 0.000 0.531 241 R N -0.762 119.575 120.500 -0.272 0.000 2.531 241 R HA 0.351 4.691 4.340 -0.000 0.000 0.316 241 R C 2.172 178.244 176.300 -0.380 0.000 0.955 241 R CA 0.467 56.117 56.100 -0.750 0.000 1.120 241 R CB 0.217 29.686 30.300 -1.385 0.000 1.361 241 R HN 0.310 nan 8.270 nan 0.000 0.534 242 G N 1.916 110.664 108.800 -0.087 0.000 2.442 242 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 242 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 242 G C 1.237 176.144 174.900 0.012 0.000 1.141 242 G CA 0.845 45.936 45.100 -0.015 0.000 0.763 242 G HN 0.503 nan 8.290 nan 0.000 0.554 243 W N 0.366 121.692 121.300 0.042 0.000 2.325 243 W HA -0.073 4.587 4.660 -0.000 0.000 0.299 243 W C 1.647 178.221 176.519 0.092 0.000 1.215 243 W CA 1.052 58.439 57.345 0.069 0.000 1.244 243 W CB -1.061 28.449 29.460 0.084 0.000 1.140 243 W HN 0.230 nan 8.180 nan 0.000 0.523 244 L N 0.836 121.551 121.223 -0.847 0.000 2.316 244 L HA 0.204 4.544 4.340 -0.000 0.000 0.207 244 L C 2.532 179.199 176.870 -0.338 0.000 1.070 244 L CA 1.033 55.411 54.840 -0.769 0.000 0.820 244 L CB -0.897 40.319 42.059 -1.405 0.000 0.992 244 L HN -0.133 nan 8.230 nan 0.000 0.466 245 L N 0.366 121.444 121.223 -0.242 0.000 2.131 245 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 245 L C 2.279 179.092 176.870 -0.095 0.000 1.092 245 L CA 1.593 56.347 54.840 -0.144 0.000 0.759 245 L CB -0.660 41.314 42.059 -0.141 0.000 0.903 245 L HN 0.392 nan 8.230 nan 0.000 0.435 246 K N 0.276 120.635 120.400 -0.068 0.000 2.555 246 K HA -0.105 4.214 4.320 -0.000 0.000 0.193 246 K C 1.345 177.930 176.600 -0.025 0.000 1.032 246 K CA 0.878 57.150 56.287 -0.025 0.000 1.004 246 K CB -0.011 32.494 32.500 0.008 0.000 0.804 246 K HN 0.274 nan 8.250 nan 0.000 0.496 247 K N 1.362 121.732 120.400 -0.050 0.000 2.358 247 K HA 0.032 4.352 4.320 -0.000 0.000 0.197 247 K C 0.396 176.966 176.600 -0.050 0.000 1.025 247 K CA 0.284 56.549 56.287 -0.038 0.000 1.104 247 K CB 0.889 33.368 32.500 -0.036 0.000 0.855 247 K HN 0.334 nan 8.250 nan 0.000 0.531 248 T N -0.961 113.554 114.554 -0.065 0.000 2.824 248 T HA 0.121 4.470 4.350 -0.000 0.000 0.277 248 T C 0.389 175.061 174.700 -0.046 0.000 0.975 248 T CA -0.691 61.371 62.100 -0.063 0.000 0.966 248 T CB 0.753 69.573 68.868 -0.081 0.000 1.054 248 T HN 0.151 nan 8.240 nan 0.000 0.533 249 N N -0.266 118.408 118.700 -0.042 0.000 2.667 249 N HA -0.135 4.604 4.740 -0.000 0.000 0.263 249 N C 1.005 176.500 175.510 -0.026 0.000 1.038 249 N CA 0.878 53.908 53.050 -0.034 0.000 0.749 249 N CB -1.230 37.235 38.487 -0.036 0.000 0.892 249 N HN 0.992 nan 8.380 nan 0.000 0.546 250 G N 0.268 109.054 108.800 -0.023 0.000 2.498 250 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.219 250 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.219 250 G C 0.983 175.875 174.900 -0.015 0.000 1.119 250 G CA 0.804 45.894 45.100 -0.017 0.000 0.766 250 G HN 0.678 nan 8.290 nan 0.000 0.552 251 E N 0.085 120.275 120.200 -0.016 0.000 2.489 251 E HA 0.048 4.398 4.350 -0.000 0.000 0.193 251 E C 0.335 176.926 176.600 -0.015 0.000 1.057 251 E CA -0.258 56.134 56.400 -0.014 0.000 0.866 251 E CB -0.144 29.548 29.700 -0.014 0.000 0.916 251 E HN 0.535 nan 8.360 nan 0.000 0.500 252 N N 1.123 119.812 118.700 -0.017 0.000 2.740 252 N HA -0.193 4.547 4.740 -0.000 0.000 0.248 252 N C -0.630 174.868 175.510 -0.020 0.000 1.062 252 N CA -0.164 52.875 53.050 -0.018 0.000 0.704 252 N CB -1.185 37.294 38.487 -0.014 0.000 0.968 252 N HN 0.236 nan 8.380 nan 0.000 0.547 253 I N 1.051 121.607 120.570 -0.023 0.000 2.618 253 I HA 0.011 4.181 4.170 -0.000 0.000 0.284 253 I C 1.024 177.121 176.117 -0.033 0.000 1.146 253 I CA 0.437 61.721 61.300 -0.026 0.000 1.425 253 I CB 0.442 38.426 38.000 -0.026 0.000 1.383 253 I HN 0.069 nan 8.210 nan 0.000 0.562 254 E N 4.386 124.567 120.200 -0.032 0.000 2.250 254 E HA 0.746 5.096 4.350 -0.000 0.000 0.265 254 E C 0.374 176.944 176.600 -0.050 0.000 1.033 254 E CA -0.280 56.097 56.400 -0.038 0.000 0.888 254 E CB 1.790 31.473 29.700 -0.029 0.000 1.151 254 E HN 0.862 nan 8.360 nan 0.000 0.412 255 G N -0.540 108.222 108.800 -0.062 0.000 2.318 255 G HA2 0.237 4.197 3.960 -0.000 0.000 0.367 255 G HA3 0.237 4.197 3.960 -0.000 0.000 0.367 255 G C -0.169 174.655 174.900 -0.127 0.000 1.260 255 G CA -0.334 44.716 45.100 -0.083 0.000 1.055 255 G HN 0.755 nan 8.290 nan 0.000 0.484 256 G N -1.316 107.377 108.800 -0.179 0.000 3.252 256 G HA2 0.723 4.683 3.960 -0.000 0.000 0.181 256 G HA3 0.723 4.683 3.960 -0.000 0.000 0.181 256 G C -1.674 172.990 174.900 -0.394 0.000 1.187 256 G CA 0.257 45.193 45.100 -0.272 0.000 0.886 256 G HN 0.570 nan 8.290 nan 0.000 0.615 257 P HA -0.159 nan 4.420 nan 0.000 0.217 257 P C 1.686 178.625 177.300 -0.603 0.000 1.151 257 P CA 1.701 64.392 63.100 -0.682 0.000 0.849 257 P CB 0.191 31.361 31.700 -0.883 0.000 0.787 258 Q N -0.109 119.189 119.800 -0.837 0.000 1.965 258 Q HA -0.206 4.134 4.340 -0.000 0.000 0.200 258 Q C 1.853 177.747 176.000 -0.176 0.000 0.981 258 Q CA 1.582 57.026 55.803 -0.598 0.000 0.834 258 Q CB -0.369 28.168 28.738 -0.335 0.000 0.900 258 Q HN 0.056 nan 8.270 nan 0.000 0.426 259 E N 0.660 120.773 120.200 -0.145 0.000 2.209 259 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 259 E C 1.607 178.176 176.600 -0.051 0.000 0.993 259 E CA 1.205 57.563 56.400 -0.069 0.000 0.819 259 E CB -0.353 29.304 29.700 -0.071 0.000 0.745 259 E HN 0.505 nan 8.360 nan 0.000 0.477 260 A N 0.327 123.105 122.820 -0.069 0.000 1.873 260 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 260 A C 2.071 179.688 177.584 0.056 0.000 1.186 260 A CA 0.981 53.019 52.037 0.002 0.000 0.616 260 A CB -0.487 18.528 19.000 0.026 0.000 0.823 260 A HN 0.236 nan 8.150 nan 0.000 0.442 261 L N -0.433 120.833 121.223 0.072 0.000 2.478 261 L HA 0.006 4.345 4.340 -0.000 0.000 0.223 261 L C 1.219 178.117 176.870 0.047 0.000 1.140 261 L CA 0.196 55.076 54.840 0.067 0.000 0.842 261 L CB -0.342 41.780 42.059 0.106 0.000 0.953 261 L HN 0.300 nan 8.230 nan 0.000 0.452 262 K N 1.976 122.398 120.400 0.038 0.000 2.402 262 K HA -0.112 4.208 4.320 -0.000 0.000 0.279 262 K C -0.343 176.267 176.600 0.017 0.000 1.082 262 K CA 0.348 56.654 56.287 0.033 0.000 1.080 262 K CB -0.001 32.512 32.500 0.023 0.000 0.899 262 K HN 0.152 nan 8.250 nan 0.000 0.469 263 D N 1.112 121.522 120.400 0.016 0.000 2.746 263 D HA -0.189 4.451 4.640 -0.000 0.000 0.236 263 D C -0.836 175.461 176.300 -0.005 0.000 1.129 263 D CA 1.155 55.158 54.000 0.004 0.000 0.691 263 D CB -1.125 39.676 40.800 0.002 0.000 1.077 263 D HN 0.607 nan 8.370 nan 0.000 0.432 264 A N 0.122 122.938 122.820 -0.007 0.000 2.312 264 A HA 0.423 4.743 4.320 -0.000 0.000 0.326 264 A C 1.042 178.604 177.584 -0.037 0.000 1.172 264 A CA -0.547 51.476 52.037 -0.023 0.000 0.821 264 A CB 1.075 20.062 19.000 -0.023 0.000 1.166 264 A HN -0.039 nan 8.150 nan 0.000 0.493 265 D N 0.486 120.855 120.400 -0.051 0.000 2.216 265 D HA 0.095 4.735 4.640 -0.000 0.000 0.208 265 D C 0.117 176.361 176.300 -0.093 0.000 0.960 265 D CA 1.445 55.408 54.000 -0.062 0.000 0.861 265 D CB 0.421 41.185 40.800 -0.060 0.000 0.985 265 D HN 0.264 nan 8.370 nan 0.000 0.493 266 V N 1.642 121.485 119.914 -0.119 0.000 2.925 266 V HA 0.349 4.468 4.120 -0.000 0.000 0.311 266 V C -0.760 175.219 176.094 -0.191 0.000 1.104 266 V CA -0.879 61.311 62.300 -0.184 0.000 0.954 266 V CB 3.410 35.088 31.823 -0.242 0.000 1.022 266 V HN 0.013 nan 8.190 nan 0.000 0.427 267 L N 5.708 126.790 121.223 -0.234 0.000 2.376 267 L HA 0.684 5.023 4.340 -0.000 0.000 0.275 267 L C -1.457 175.245 176.870 -0.280 0.000 0.987 267 L CA -0.208 54.469 54.840 -0.271 0.000 0.828 267 L CB 1.449 43.343 42.059 -0.276 0.000 1.249 267 L HN 0.671 nan 8.230 nan 0.000 0.409 268 I N 3.850 124.252 120.570 -0.280 0.000 2.447 268 I HA 0.319 4.489 4.170 -0.000 0.000 0.287 268 I C -0.300 175.635 176.117 -0.302 0.000 1.023 268 I CA -0.314 60.838 61.300 -0.247 0.000 1.083 268 I CB 2.135 40.030 38.000 -0.174 0.000 1.245 268 I HN 0.583 nan 8.210 nan 0.000 0.434 269 S N 5.764 121.225 115.700 -0.399 0.000 2.532 269 S HA 0.658 5.128 4.470 -0.000 0.000 0.299 269 S C -1.010 173.360 174.600 -0.383 0.000 1.105 269 S CA -0.332 57.708 58.200 -0.266 0.000 1.018 269 S CB 0.714 63.790 63.200 -0.206 0.000 1.021 269 S HN 0.381 nan 8.310 nan 0.000 0.483 270 F N 3.283 123.307 119.950 0.124 0.000 2.523 270 F HA 0.310 4.837 4.527 -0.000 0.000 0.322 270 F C 0.926 176.794 175.800 0.113 0.000 1.361 270 F CA -0.472 57.590 58.000 0.104 0.000 1.151 270 F CB 0.913 39.970 39.000 0.095 0.000 1.391 270 F HN 0.589 nan 8.300 nan 0.000 0.566 271 T N -2.115 112.578 114.554 0.233 0.000 2.807 271 T HA 0.592 4.942 4.350 -0.000 0.000 0.277 271 T C 0.288 175.077 174.700 0.148 0.000 1.006 271 T CA -1.213 61.001 62.100 0.190 0.000 1.006 271 T CB 1.480 70.463 68.868 0.192 0.000 1.274 271 T HN 0.236 nan 8.240 nan 0.000 0.569 272 R N 0.245 120.818 120.500 0.122 0.000 2.817 272 R HA 0.234 4.573 4.340 -0.000 0.000 0.264 272 R C -2.804 173.552 176.300 0.095 0.000 1.009 272 R CA -1.095 55.065 56.100 0.099 0.000 1.133 272 R CB -1.547 28.803 30.300 0.083 0.000 1.013 272 R HN 0.414 nan 8.270 nan 0.000 0.453 273 P HA 0.230 nan 4.420 nan 0.000 0.274 273 P C -0.102 177.239 177.300 0.069 0.000 1.260 273 P CA -0.165 62.978 63.100 0.071 0.000 0.793 273 P CB 0.535 32.272 31.700 0.061 0.000 1.048 274 G N -1.108 107.729 108.800 0.062 0.000 3.310 274 G HA2 0.547 4.506 3.960 -0.000 0.000 0.174 274 G HA3 0.547 4.506 3.960 -0.000 0.000 0.174 274 G C -2.727 172.201 174.900 0.046 0.000 1.097 274 G CA -0.747 44.387 45.100 0.058 0.000 0.795 274 G HN 0.293 nan 8.290 nan 0.000 0.670 275 P HA 0.433 nan 4.420 nan 0.000 0.275 275 P C 0.726 178.048 177.300 0.038 0.000 1.270 275 P CA 1.329 64.448 63.100 0.031 0.000 0.791 275 P CB 0.805 32.511 31.700 0.011 0.000 1.089 276 G N -2.204 106.619 108.800 0.038 0.000 2.278 276 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.210 276 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.210 276 G C 0.957 175.929 174.900 0.119 0.000 1.000 276 G CA 0.196 45.325 45.100 0.047 0.000 0.635 276 G HN 0.363 nan 8.290 nan 0.000 0.495 277 V N 0.978 120.982 119.914 0.150 0.000 2.427 277 V HA 0.231 4.351 4.120 -0.000 0.000 0.248 277 V C 1.350 177.690 176.094 0.409 0.000 1.051 277 V CA 1.834 64.273 62.300 0.231 0.000 1.048 277 V CB -0.175 31.760 31.823 0.185 0.000 0.666 277 V HN 0.461 nan 8.190 nan 0.000 0.456 278 I N 0.501 121.276 120.570 0.342 0.000 2.439 278 I HA 0.334 4.504 4.170 -0.000 0.000 0.285 278 I C -0.443 175.767 176.117 0.155 0.000 1.021 278 I CA -0.396 61.199 61.300 0.491 0.000 1.091 278 I CB 1.722 39.894 38.000 0.287 0.000 1.242 278 I HN 0.058 nan 8.210 nan 0.000 0.439 279 K N 6.742 127.013 120.400 -0.214 0.000 2.130 279 K HA 0.373 4.693 4.320 -0.000 0.000 0.268 279 K C -1.898 174.491 176.600 -0.350 0.000 0.983 279 K CA -1.568 54.419 56.287 -0.500 0.000 0.893 279 K CB 1.348 33.267 32.500 -0.969 0.000 1.066 279 K HN 0.161 nan 8.250 nan 0.000 0.450 280 P HA -0.214 nan 4.420 nan 0.000 0.217 280 P C 0.651 177.865 177.300 -0.144 0.000 1.148 280 P CA 1.291 64.310 63.100 -0.135 0.000 0.828 280 P CB 0.282 31.911 31.700 -0.118 0.000 0.783 281 Q N -1.855 117.774 119.800 -0.285 0.000 2.152 281 Q HA -0.183 4.157 4.340 -0.000 0.000 0.206 281 Q C 1.894 177.849 176.000 -0.076 0.000 0.985 281 Q CA 1.511 57.169 55.803 -0.242 0.000 0.863 281 Q CB -0.952 27.550 28.738 -0.394 0.000 0.904 281 Q HN 0.431 nan 8.270 nan 0.000 0.422 282 W N -0.548 120.760 121.300 0.013 0.000 2.476 282 W HA 0.077 4.737 4.660 -0.001 0.000 0.281 282 W C 1.583 178.105 176.519 0.005 0.000 1.230 282 W CA 0.111 57.470 57.345 0.022 0.000 1.287 282 W CB -0.425 29.067 29.460 0.054 0.000 1.108 282 W HN 0.140 nan 8.180 nan 0.000 0.567 283 I N 0.711 121.389 120.570 0.181 0.000 2.493 283 I HA -0.170 3.999 4.170 -0.000 0.000 0.254 283 I C 1.290 177.437 176.117 0.050 0.000 1.160 283 I CA 1.161 62.513 61.300 0.085 0.000 1.445 283 I CB -1.356 36.662 38.000 0.031 0.000 1.086 283 I HN 0.040 nan 8.210 nan 0.000 0.433 284 E N 0.877 121.102 120.200 0.041 0.000 2.382 284 E HA -0.053 4.297 4.350 -0.000 0.000 0.190 284 E C 1.083 177.706 176.600 0.038 0.000 1.125 284 E CA 0.112 56.525 56.400 0.022 0.000 0.929 284 E CB 0.118 29.818 29.700 0.001 0.000 1.053 284 E HN 0.409 nan 8.360 nan 0.000 0.475 285 K N -0.217 120.220 120.400 0.061 0.000 2.517 285 K HA 0.223 4.543 4.320 -0.000 0.000 0.210 285 K C 0.275 176.900 176.600 0.043 0.000 1.166 285 K CA -0.114 56.209 56.287 0.059 0.000 1.030 285 K CB 0.764 33.320 32.500 0.093 0.000 0.974 285 K HN 0.078 nan 8.250 nan 0.000 0.585 286 M N 1.236 120.856 119.600 0.034 0.000 2.227 286 M HA 0.122 4.601 4.480 -0.000 0.000 0.316 286 M C 0.321 176.623 176.300 0.003 0.000 1.144 286 M CA -0.370 54.939 55.300 0.014 0.000 1.121 286 M CB 0.329 32.930 32.600 0.002 0.000 1.440 286 M HN -0.061 nan 8.290 nan 0.000 0.473 287 N N 1.318 120.014 118.700 -0.007 0.000 2.267 287 N HA -0.005 4.735 4.740 -0.000 0.000 0.226 287 N C -0.397 175.106 175.510 -0.011 0.000 1.314 287 N CA 0.012 53.056 53.050 -0.010 0.000 0.887 287 N CB 0.256 38.733 38.487 -0.016 0.000 1.120 287 N HN 0.533 nan 8.380 nan 0.000 0.440 288 E N 0.163 120.357 120.200 -0.011 0.000 2.408 288 E HA -0.081 4.269 4.350 -0.000 0.000 0.259 288 E C -0.639 175.952 176.600 -0.015 0.000 1.110 288 E CA -0.119 56.275 56.400 -0.011 0.000 0.929 288 E CB 0.276 29.970 29.700 -0.009 0.000 0.971 288 E HN 0.420 nan 8.360 nan 0.000 0.438 289 D N 0.205 120.596 120.400 -0.014 0.000 2.772 289 D HA -0.205 4.435 4.640 -0.000 0.000 0.233 289 D C -0.603 175.684 176.300 -0.021 0.000 1.143 289 D CA 0.851 54.842 54.000 -0.015 0.000 0.700 289 D CB -1.586 39.205 40.800 -0.015 0.000 1.076 289 D HN 0.523 nan 8.370 nan 0.000 0.430 290 A N 0.187 122.993 122.820 -0.022 0.000 2.483 290 A HA 0.442 4.762 4.320 -0.000 0.000 0.238 290 A C 0.705 178.270 177.584 -0.032 0.000 1.070 290 A CA 0.200 52.218 52.037 -0.033 0.000 0.770 290 A CB 0.522 19.505 19.000 -0.028 0.000 1.008 290 A HN 0.344 nan 8.150 nan 0.000 0.497 291 I N 2.177 122.712 120.570 -0.059 0.000 2.362 291 I HA 0.358 4.528 4.170 -0.000 0.000 0.289 291 I C -0.859 175.222 176.117 -0.060 0.000 0.994 291 I CA -0.595 60.675 61.300 -0.051 0.000 1.158 291 I CB 1.841 39.756 38.000 -0.141 0.000 1.315 291 I HN 0.275 nan 8.210 nan 0.000 0.451 292 V N 6.693 126.647 119.914 0.066 0.000 2.444 292 V HA 0.379 4.499 4.120 -0.000 0.000 0.294 292 V C -0.743 175.546 176.094 0.325 0.000 1.022 292 V CA -0.467 61.875 62.300 0.071 0.000 0.850 292 V CB 1.679 33.499 31.823 -0.004 0.000 0.992 292 V HN 0.404 nan 8.190 nan 0.000 0.426 293 F N 5.666 125.508 119.950 -0.180 0.000 2.371 293 F HA 0.456 4.983 4.527 -0.000 0.000 0.343 293 F C -2.459 173.190 175.800 -0.252 0.000 1.150 293 F CA -3.343 54.541 58.000 -0.194 0.000 1.220 293 F CB 1.334 40.214 39.000 -0.200 0.000 1.475 293 F HN 0.323 nan 8.300 nan 0.000 0.521 294 P HA 0.225 nan 4.420 nan 0.000 0.268 294 P C 0.495 177.722 177.300 -0.121 0.000 1.541 294 P CA 0.214 63.245 63.100 -0.115 0.000 1.093 294 P CB 0.357 32.006 31.700 -0.085 0.000 1.551 295 L N 1.276 122.381 121.223 -0.197 0.000 2.688 295 L HA 0.286 4.626 4.340 -0.000 0.000 0.234 295 L C 1.102 177.972 176.870 -0.000 0.000 1.192 295 L CA -0.408 54.347 54.840 -0.142 0.000 0.984 295 L CB -0.277 41.609 42.059 -0.288 0.000 1.232 295 L HN 0.255 nan 8.230 nan 0.000 0.465 296 A N 0.539 123.369 122.820 0.016 0.000 2.407 296 A HA 0.324 4.644 4.320 -0.000 0.000 0.248 296 A C -0.094 177.535 177.584 0.076 0.000 1.082 296 A CA -0.006 52.078 52.037 0.078 0.000 0.785 296 A CB 0.123 19.167 19.000 0.074 0.000 1.020 296 A HN 0.495 nan 8.150 nan 0.000 0.489 297 N N 1.792 120.544 118.700 0.087 0.000 2.319 297 N HA 0.455 5.195 4.740 -0.000 0.000 0.305 297 N C -2.137 173.409 175.510 0.060 0.000 1.103 297 N CA -1.599 51.493 53.050 0.069 0.000 0.815 297 N CB 2.198 40.727 38.487 0.070 0.000 1.288 297 N HN 0.500 nan 8.380 nan 0.000 0.493 298 P HA 0.063 nan 4.420 nan 0.000 0.245 298 P C -0.386 176.945 177.300 0.052 0.000 1.206 298 P CA 0.461 63.587 63.100 0.042 0.000 0.781 298 P CB 0.671 32.389 31.700 0.029 0.000 0.994 299 V N 1.840 121.790 119.914 0.060 0.000 2.540 299 V HA 0.358 4.478 4.120 -0.000 0.000 0.302 299 V C -2.461 173.674 176.094 0.069 0.000 1.035 299 V CA -2.471 59.874 62.300 0.075 0.000 0.873 299 V CB 1.944 33.808 31.823 0.068 0.000 0.992 299 V HN -0.142 nan 8.190 nan 0.000 0.428 300 P HA 0.119 nan 4.420 nan 0.000 0.269 300 P C 0.380 177.696 177.300 0.026 0.000 1.217 300 P CA -0.021 63.096 63.100 0.027 0.000 0.783 300 P CB 0.773 32.467 31.700 -0.011 0.000 0.898 301 E N 0.827 121.041 120.200 0.024 0.000 2.204 301 E HA -0.021 4.328 4.350 -0.000 0.000 0.195 301 E C 0.720 177.344 176.600 0.040 0.000 0.990 301 E CA 1.000 57.433 56.400 0.055 0.000 0.821 301 E CB -0.138 29.610 29.700 0.080 0.000 0.750 301 E HN 0.353 nan 8.360 nan 0.000 0.477 302 I N 0.034 120.601 120.570 -0.005 0.000 2.644 302 I HA 0.160 4.330 4.170 -0.000 0.000 0.291 302 I C -1.280 174.782 176.117 -0.091 0.000 1.180 302 I CA -0.911 60.369 61.300 -0.033 0.000 1.040 302 I CB 1.101 39.085 38.000 -0.026 0.000 1.255 302 I HN -0.158 nan 8.210 nan 0.000 0.422 303 L N 8.498 129.657 121.223 -0.106 0.000 2.485 303 L HA 0.167 4.507 4.340 -0.000 0.000 0.275 303 L C -1.559 175.159 176.870 -0.255 0.000 1.207 303 L CA -1.106 53.614 54.840 -0.200 0.000 0.855 303 L CB 0.162 42.144 42.059 -0.129 0.000 1.114 303 L HN 0.496 nan 8.230 nan 0.000 0.485 304 P HA -0.196 nan 4.420 nan 0.000 0.216 304 P C 1.025 178.206 177.300 -0.199 0.000 1.150 304 P CA 1.129 64.027 63.100 -0.337 0.000 0.843 304 P CB 0.206 31.601 31.700 -0.508 0.000 0.787 305 E N -0.424 119.668 120.200 -0.180 0.000 2.072 305 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 305 E C 1.905 178.456 176.600 -0.082 0.000 0.985 305 E CA 1.034 57.375 56.400 -0.100 0.000 0.801 305 E CB -0.681 28.978 29.700 -0.068 0.000 0.750 305 E HN 0.351 nan 8.360 nan 0.000 0.452 306 E N 0.632 120.778 120.200 -0.090 0.000 2.150 306 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 306 E C 1.915 178.472 176.600 -0.072 0.000 0.985 306 E CA 0.894 57.248 56.400 -0.076 0.000 0.814 306 E CB -0.144 29.510 29.700 -0.078 0.000 0.752 306 E HN 0.203 nan 8.360 nan 0.000 0.466 307 A N 1.713 124.484 122.820 -0.080 0.000 1.872 307 A HA -0.140 4.180 4.320 -0.000 0.000 0.214 307 A C 2.070 179.623 177.584 -0.052 0.000 1.187 307 A CA 1.076 53.075 52.037 -0.064 0.000 0.614 307 A CB -0.148 18.807 19.000 -0.074 0.000 0.826 307 A HN -0.009 nan 8.150 nan 0.000 0.442 308 K N 0.119 120.484 120.400 -0.059 0.000 2.009 308 K HA -0.170 4.149 4.320 -0.000 0.000 0.210 308 K C 1.981 178.559 176.600 -0.037 0.000 1.049 308 K CA 1.787 58.047 56.287 -0.044 0.000 0.929 308 K CB -0.461 32.011 32.500 -0.046 0.000 0.714 308 K HN 0.576 nan 8.250 nan 0.000 0.440 309 K N 0.665 121.040 120.400 -0.041 0.000 2.280 309 K HA -0.063 4.256 4.320 -0.000 0.000 0.202 309 K C 1.667 178.246 176.600 -0.035 0.000 1.047 309 K CA 1.056 57.321 56.287 -0.036 0.000 0.942 309 K CB 0.026 32.502 32.500 -0.040 0.000 0.739 309 K HN 0.116 nan 8.250 nan 0.000 0.457 310 A N -0.384 122.413 122.820 -0.038 0.000 2.178 310 A HA 0.220 4.540 4.320 -0.000 0.000 0.211 310 A C 1.378 178.949 177.584 -0.022 0.000 1.157 310 A CA 0.860 52.877 52.037 -0.033 0.000 0.780 310 A CB 0.016 18.994 19.000 -0.037 0.000 0.828 310 A HN 0.515 nan 8.150 nan 0.000 0.476 311 G N -2.187 106.599 108.800 -0.022 0.000 2.296 311 G HA2 0.186 4.146 3.960 -0.000 0.000 0.188 311 G HA3 0.186 4.146 3.960 -0.000 0.000 0.188 311 G C 0.436 175.327 174.900 -0.016 0.000 1.000 311 G CA -0.038 45.052 45.100 -0.016 0.000 0.672 311 G HN 1.443 nan 8.290 nan 0.000 0.483 312 A N 0.562 123.370 122.820 -0.020 0.000 2.520 312 A HA 0.620 4.940 4.320 -0.000 0.000 0.245 312 A C 1.276 178.851 177.584 -0.014 0.000 1.072 312 A CA 1.325 53.352 52.037 -0.018 0.000 0.761 312 A CB 0.276 19.263 19.000 -0.022 0.000 1.004 312 A HN 0.605 nan 8.150 nan 0.000 0.499 313 R N 1.935 122.430 120.500 -0.008 0.000 2.140 313 R HA 0.248 4.587 4.340 -0.000 0.000 0.213 313 R C -0.155 176.148 176.300 0.005 0.000 1.059 313 R CA 0.739 56.836 56.100 -0.004 0.000 1.000 313 R CB 0.058 30.355 30.300 -0.004 0.000 0.910 313 R HN 0.752 nan 8.270 nan 0.000 0.455 314 I N 1.437 122.019 120.570 0.020 0.000 2.533 314 I HA 0.301 4.471 4.170 -0.000 0.000 0.290 314 I C -1.246 174.915 176.117 0.073 0.000 1.056 314 I CA -1.075 60.255 61.300 0.049 0.000 1.057 314 I CB 2.504 40.556 38.000 0.086 0.000 1.240 314 I HN -0.216 nan 8.210 nan 0.000 0.423 315 V N 4.793 124.724 119.914 0.029 0.000 2.588 315 V HA 0.813 4.933 4.120 -0.000 0.000 0.304 315 V C -0.281 175.748 176.094 -0.109 0.000 1.042 315 V CA -0.477 61.816 62.300 -0.011 0.000 0.877 315 V CB 1.792 33.571 31.823 -0.074 0.000 0.996 315 V HN 0.829 nan 8.190 nan 0.000 0.425 316 A N 3.162 125.829 122.820 -0.255 0.000 2.414 316 A HA 0.992 5.312 4.320 -0.000 0.000 0.306 316 A C -0.185 177.161 177.584 -0.398 0.000 1.054 316 A CA -0.126 51.613 52.037 -0.496 0.000 0.724 316 A CB 2.105 20.387 19.000 -1.197 0.000 1.267 316 A HN 1.029 nan 8.150 nan 0.000 0.418 317 T N -1.864 112.548 114.554 -0.238 0.000 2.804 317 T HA 0.645 4.994 4.350 -0.000 0.000 0.290 317 T C 0.781 175.433 174.700 -0.081 0.000 1.099 317 T CA 0.141 62.168 62.100 -0.122 0.000 1.011 317 T CB 1.295 70.173 68.868 0.017 0.000 1.291 317 T HN 1.257 nan 8.240 nan 0.000 0.523 318 G N -0.361 108.428 108.800 -0.019 0.000 3.042 318 G HA2 0.230 4.190 3.960 -0.000 0.000 0.212 318 G HA3 0.230 4.190 3.960 -0.000 0.000 0.212 318 G C 0.502 175.408 174.900 0.010 0.000 1.166 318 G CA -0.430 44.670 45.100 0.001 0.000 0.767 318 G HN 0.649 nan 8.290 nan 0.000 0.546 319 R N 0.386 120.906 120.500 0.033 0.000 2.500 319 R HA 0.331 4.670 4.340 -0.000 0.000 0.277 319 R C 1.232 177.502 176.300 -0.051 0.000 1.026 319 R CA 0.257 56.354 56.100 -0.006 0.000 1.058 319 R CB 1.219 31.517 30.300 -0.003 0.000 1.078 319 R HN 0.185 nan 8.270 nan 0.000 0.509 320 S N -0.306 115.337 115.700 -0.094 0.000 2.593 320 S HA -0.026 4.444 4.470 -0.000 0.000 0.217 320 S C 0.691 175.199 174.600 -0.152 0.000 0.966 320 S CA 0.243 58.385 58.200 -0.096 0.000 0.914 320 S CB 0.159 63.312 63.200 -0.078 0.000 0.776 320 S HN 0.502 nan 8.310 nan 0.000 0.523 321 D N 0.736 120.962 120.400 -0.290 0.000 2.149 321 D HA 0.110 4.750 4.640 -0.000 0.000 0.201 321 D C -0.263 175.724 176.300 -0.523 0.000 0.972 321 D CA 1.020 54.712 54.000 -0.513 0.000 0.835 321 D CB 0.020 40.294 40.800 -0.876 0.000 0.966 321 D HN 0.452 nan 8.370 nan 0.000 0.476 322 Y N -0.645 119.629 120.300 -0.043 0.000 2.534 322 Y HA 0.444 4.994 4.550 -0.000 0.000 0.329 322 Y C -1.775 174.089 175.900 -0.059 0.000 1.154 322 Y CA -2.942 55.128 58.100 -0.050 0.000 1.192 322 Y CB 0.153 38.578 38.460 -0.057 0.000 1.275 322 Y HN -0.238 nan 8.280 nan 0.000 0.491 323 P HA 0.098 nan 4.420 nan 0.000 0.272 323 P C -0.844 176.451 177.300 -0.008 0.000 1.240 323 P CA -0.091 63.028 63.100 0.032 0.000 0.791 323 P CB 0.366 32.078 31.700 0.021 0.000 0.978 324 N N -0.572 118.102 118.700 -0.044 0.000 2.671 324 N HA -0.205 4.535 4.740 -0.000 0.000 0.261 324 N C -0.347 175.084 175.510 -0.131 0.000 1.053 324 N CA 0.676 53.668 53.050 -0.097 0.000 0.732 324 N CB -1.275 37.133 38.487 -0.132 0.000 0.887 324 N HN 0.624 nan 8.380 nan 0.000 0.546 325 Q N 1.181 120.926 119.800 -0.091 0.000 2.307 325 Q HA 0.237 4.577 4.340 -0.000 0.000 0.259 325 Q C 0.012 175.949 176.000 -0.104 0.000 0.998 325 Q CA -0.455 55.295 55.803 -0.088 0.000 0.923 325 Q CB 0.536 29.239 28.738 -0.058 0.000 1.196 325 Q HN 0.217 nan 8.270 nan 0.000 0.416 326 I N 4.786 125.281 120.570 -0.124 0.000 2.311 326 I HA 0.098 4.268 4.170 -0.000 0.000 0.297 326 I C -0.024 176.077 176.117 -0.026 0.000 1.131 326 I CA 0.043 61.291 61.300 -0.087 0.000 1.289 326 I CB -0.593 37.346 38.000 -0.102 0.000 1.446 326 I HN 0.597 nan 8.210 nan 0.000 0.524 327 N N 5.010 123.691 118.700 -0.030 0.000 2.444 327 N HA 0.153 4.893 4.740 -0.000 0.000 0.262 327 N C 0.806 176.320 175.510 0.006 0.000 0.974 327 N CA -0.224 52.815 53.050 -0.018 0.000 0.933 327 N CB 0.959 39.411 38.487 -0.059 0.000 1.137 327 N HN 0.270 nan 8.380 nan 0.000 0.498 328 N N 1.955 120.694 118.700 0.065 0.000 2.348 328 N HA -0.132 4.608 4.740 -0.000 0.000 0.185 328 N C 1.411 176.991 175.510 0.117 0.000 1.019 328 N CA 0.404 53.537 53.050 0.139 0.000 0.880 328 N CB -0.012 38.595 38.487 0.200 0.000 0.965 328 N HN 0.514 nan 8.380 nan 0.000 0.437 329 L N 0.534 121.756 121.223 -0.002 0.000 2.187 329 L HA -0.042 4.298 4.340 -0.000 0.000 0.213 329 L C 1.542 178.208 176.870 -0.341 0.000 1.100 329 L CA 1.234 55.910 54.840 -0.273 0.000 0.765 329 L CB -0.424 41.458 42.059 -0.295 0.000 0.904 329 L HN 0.227 nan 8.230 nan 0.000 0.437 330 L N -1.098 120.015 121.223 -0.184 0.000 2.127 330 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 330 L C 2.211 179.008 176.870 -0.123 0.000 1.089 330 L CA 1.280 56.011 54.840 -0.181 0.000 0.757 330 L CB -1.120 40.843 42.059 -0.159 0.000 0.899 330 L HN 0.492 nan 8.230 nan 0.000 0.434 331 G N 0.028 108.776 108.800 -0.087 0.000 2.695 331 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.219 331 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.219 331 G C 1.231 176.119 174.900 -0.021 0.000 1.295 331 G CA 0.506 45.616 45.100 0.016 0.000 0.882 331 G HN 0.347 nan 8.290 nan 0.000 0.570 332 F N 2.133 122.116 119.950 0.055 0.000 2.111 332 F HA -0.069 4.458 4.527 -0.000 0.000 0.300 332 F C -0.171 175.613 175.800 -0.026 0.000 1.088 332 F CA 1.460 59.457 58.000 -0.005 0.000 1.243 332 F CB -1.926 37.041 39.000 -0.055 0.000 0.996 332 F HN 0.161 nan 8.300 nan 0.000 0.483 333 P HA -0.025 nan 4.420 nan 0.000 0.216 333 P C 2.045 179.380 177.300 0.058 0.000 1.153 333 P CA 2.286 65.225 63.100 -0.269 0.000 0.848 333 P CB -0.434 30.895 31.700 -0.618 0.000 0.787 334 G N -0.571 108.312 108.800 0.137 0.000 2.403 334 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 334 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 334 G C 1.538 176.497 174.900 0.098 0.000 1.154 334 G CA 0.325 45.534 45.100 0.182 0.000 0.784 334 G HN 0.206 nan 8.290 nan 0.000 0.538 335 I N -0.357 120.236 120.570 0.038 0.000 2.179 335 I HA -0.130 4.040 4.170 -0.000 0.000 0.242 335 I C 2.421 178.469 176.117 -0.115 0.000 1.088 335 I CA 1.030 62.272 61.300 -0.096 0.000 1.357 335 I CB -0.240 37.583 38.000 -0.295 0.000 1.051 335 I HN 0.076 nan 8.210 nan 0.000 0.409 336 F N 0.718 120.679 119.950 0.018 0.000 2.206 336 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 336 F C 2.681 178.553 175.800 0.121 0.000 1.090 336 F CA 1.267 59.329 58.000 0.103 0.000 1.323 336 F CB -0.344 38.828 39.000 0.287 0.000 1.028 336 F HN -0.081 nan 8.300 nan 0.000 0.492 337 R N 0.748 121.421 120.500 0.288 0.000 2.083 337 R HA -0.118 4.221 4.340 -0.000 0.000 0.237 337 R C 2.371 178.777 176.300 0.178 0.000 1.137 337 R CA 1.929 58.156 56.100 0.211 0.000 0.951 337 R CB -1.379 29.008 30.300 0.144 0.000 0.851 337 R HN 0.269 nan 8.270 nan 0.000 0.434 338 G N -0.613 108.261 108.800 0.123 0.000 2.402 338 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 338 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 338 G C 1.576 176.520 174.900 0.073 0.000 1.162 338 G CA 0.785 45.944 45.100 0.098 0.000 0.777 338 G HN 0.515 nan 8.290 nan 0.000 0.539 339 A N 0.553 123.384 122.820 0.019 0.000 1.902 339 A HA 0.112 4.432 4.320 -0.000 0.000 0.217 339 A C 2.429 180.043 177.584 0.049 0.000 1.181 339 A CA 1.246 53.274 52.037 -0.016 0.000 0.623 339 A CB -0.388 18.521 19.000 -0.151 0.000 0.818 339 A HN 0.350 nan 8.150 nan 0.000 0.443 340 L N -0.614 120.683 121.223 0.124 0.000 2.093 340 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 340 L C 1.861 178.812 176.870 0.135 0.000 1.085 340 L CA 1.168 56.105 54.840 0.162 0.000 0.755 340 L CB -0.593 41.612 42.059 0.244 0.000 0.904 340 L HN 0.255 nan 8.230 nan 0.000 0.435 341 D N -0.187 120.319 120.400 0.178 0.000 2.218 341 D HA -0.117 4.522 4.640 -0.000 0.000 0.204 341 D C 1.786 178.139 176.300 0.088 0.000 0.976 341 D CA 1.422 55.550 54.000 0.213 0.000 0.853 341 D CB 0.152 41.167 40.800 0.358 0.000 0.939 341 D HN 0.347 nan 8.370 nan 0.000 0.481 342 V N -2.773 117.166 119.914 0.043 0.000 3.319 342 V HA 0.338 4.457 4.120 -0.000 0.000 0.317 342 V C 0.759 176.811 176.094 -0.069 0.000 1.411 342 V CA -0.438 61.850 62.300 -0.021 0.000 1.112 342 V CB -0.362 31.460 31.823 -0.002 0.000 1.031 342 V HN 0.060 nan 8.190 nan 0.000 0.448 343 R N 0.735 121.185 120.500 -0.083 0.000 3.251 343 R HA -0.187 4.152 4.340 -0.000 0.000 0.249 343 R C 0.465 176.717 176.300 -0.080 0.000 0.949 343 R CA 0.502 56.514 56.100 -0.147 0.000 0.645 343 R CB -1.371 28.727 30.300 -0.338 0.000 1.065 343 R HN 1.091 nan 8.270 nan 0.000 0.452 344 A N 1.106 123.907 122.820 -0.031 0.000 2.520 344 A HA 0.088 4.408 4.320 -0.000 0.000 0.245 344 A C 1.147 178.732 177.584 0.001 0.000 1.072 344 A CA 0.134 52.160 52.037 -0.018 0.000 0.761 344 A CB 0.312 19.301 19.000 -0.018 0.000 1.004 344 A HN 0.647 nan 8.150 nan 0.000 0.499 345 R N 0.811 121.314 120.500 0.005 0.000 2.115 345 R HA -0.003 4.337 4.340 -0.000 0.000 0.230 345 R C -0.120 176.201 176.300 0.035 0.000 1.111 345 R CA 1.453 57.568 56.100 0.025 0.000 0.976 345 R CB -0.051 30.261 30.300 0.020 0.000 0.870 345 R HN 0.712 nan 8.270 nan 0.000 0.445 346 T N -0.006 114.562 114.554 0.023 0.000 2.909 346 T HA 0.420 4.770 4.350 -0.000 0.000 0.299 346 T C -0.485 174.225 174.700 0.017 0.000 1.073 346 T CA -0.632 61.486 62.100 0.030 0.000 0.999 346 T CB 2.367 71.254 68.868 0.032 0.000 1.098 346 T HN -0.043 nan 8.240 nan 0.000 0.477 347 I N 3.791 124.379 120.570 0.030 0.000 2.276 347 I HA 0.203 4.373 4.170 -0.000 0.000 0.290 347 I C 1.324 177.491 176.117 0.084 0.000 1.109 347 I CA -0.527 60.786 61.300 0.021 0.000 1.229 347 I CB 0.486 38.484 38.000 -0.003 0.000 1.452 347 I HN 0.741 nan 8.210 nan 0.000 0.497 348 T N -0.127 114.461 114.554 0.057 0.000 2.766 348 T HA 0.095 4.445 4.350 -0.000 0.000 0.295 348 T C 0.866 175.613 174.700 0.080 0.000 1.024 348 T CA -0.486 61.651 62.100 0.061 0.000 1.018 348 T CB 1.287 70.179 68.868 0.039 0.000 1.002 348 T HN 0.371 nan 8.240 nan 0.000 0.532 349 D N 0.398 120.841 120.400 0.071 0.000 2.144 349 D HA -0.088 4.551 4.640 -0.000 0.000 0.199 349 D C 2.444 178.782 176.300 0.064 0.000 0.984 349 D CA 1.820 55.864 54.000 0.075 0.000 0.834 349 D CB -0.430 40.409 40.800 0.065 0.000 0.955 349 D HN 0.725 nan 8.370 nan 0.000 0.465 350 S N -0.514 115.216 115.700 0.050 0.000 2.402 350 S HA -0.132 4.338 4.470 -0.000 0.000 0.229 350 S C 2.014 176.638 174.600 0.041 0.000 1.021 350 S CA 0.653 58.877 58.200 0.040 0.000 0.974 350 S CB -0.315 62.904 63.200 0.030 0.000 0.800 350 S HN 0.178 nan 8.310 nan 0.000 0.484 351 M N 0.752 120.379 119.600 0.044 0.000 2.254 351 M HA 0.153 4.633 4.480 -0.000 0.000 0.265 351 M C 2.034 178.366 176.300 0.054 0.000 1.066 351 M CA 1.247 56.569 55.300 0.037 0.000 1.123 351 M CB -0.477 32.137 32.600 0.024 0.000 1.388 351 M HN 0.308 nan 8.290 nan 0.000 0.425 352 I N 0.008 120.632 120.570 0.089 0.000 2.252 352 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 352 I C 2.152 178.320 176.117 0.086 0.000 1.102 352 I CA 1.249 62.624 61.300 0.125 0.000 1.385 352 I CB -0.258 37.843 38.000 0.168 0.000 1.064 352 I HN 0.242 nan 8.210 nan 0.000 0.414 353 I N 0.677 121.286 120.570 0.065 0.000 2.315 353 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 353 I C 2.772 178.912 176.117 0.037 0.000 1.117 353 I CA 1.165 62.494 61.300 0.048 0.000 1.404 353 I CB -0.436 37.586 38.000 0.038 0.000 1.071 353 I HN 0.169 nan 8.210 nan 0.000 0.419 354 A N 0.831 123.671 122.820 0.034 0.000 1.933 354 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 354 A C 2.550 180.147 177.584 0.022 0.000 1.175 354 A CA 1.783 53.835 52.037 0.025 0.000 0.628 354 A CB -0.716 18.297 19.000 0.022 0.000 0.814 354 A HN 0.424 nan 8.150 nan 0.000 0.444 355 A N -0.058 122.780 122.820 0.029 0.000 1.902 355 A HA 0.161 4.481 4.320 -0.000 0.000 0.217 355 A C 2.522 180.118 177.584 0.020 0.000 1.181 355 A CA 2.090 54.141 52.037 0.023 0.000 0.623 355 A CB -1.066 17.957 19.000 0.037 0.000 0.818 355 A HN 1.058 nan 8.150 nan 0.000 0.443 356 A N -0.085 122.756 122.820 0.036 0.000 1.883 356 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 356 A C 2.114 179.708 177.584 0.016 0.000 1.186 356 A CA 1.934 53.991 52.037 0.033 0.000 0.624 356 A CB -0.477 18.552 19.000 0.047 0.000 0.822 356 A HN 0.555 nan 8.150 nan 0.000 0.444 357 K N -0.397 120.012 120.400 0.015 0.000 2.097 357 K HA -0.038 4.281 4.320 -0.000 0.000 0.206 357 K C 2.293 178.891 176.600 -0.003 0.000 1.049 357 K CA 1.048 57.340 56.287 0.008 0.000 0.933 357 K CB -0.306 32.199 32.500 0.009 0.000 0.717 357 K HN 0.457 nan 8.250 nan 0.000 0.442 358 A N 1.510 124.326 122.820 -0.007 0.000 1.873 358 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 358 A C 2.119 179.679 177.584 -0.040 0.000 1.186 358 A CA 1.206 53.231 52.037 -0.020 0.000 0.616 358 A CB -0.554 18.435 19.000 -0.018 0.000 0.823 358 A HN 0.153 nan 8.150 nan 0.000 0.442 359 I N -0.138 120.404 120.570 -0.047 0.000 2.163 359 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 359 I C 2.986 179.070 176.117 -0.055 0.000 1.085 359 I CA 1.210 62.465 61.300 -0.074 0.000 1.347 359 I CB -0.395 37.564 38.000 -0.067 0.000 1.044 359 I HN 0.361 nan 8.210 nan 0.000 0.408 360 A N 0.721 123.525 122.820 -0.026 0.000 1.933 360 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 360 A C 2.462 180.035 177.584 -0.019 0.000 1.175 360 A CA 2.159 54.187 52.037 -0.014 0.000 0.628 360 A CB -0.868 18.134 19.000 0.003 0.000 0.814 360 A HN 0.554 nan 8.150 nan 0.000 0.444 361 S N -0.098 115.589 115.700 -0.021 0.000 2.442 361 S HA -0.101 4.369 4.470 -0.000 0.000 0.236 361 S C 1.694 176.278 174.600 -0.027 0.000 1.007 361 S CA 1.142 59.331 58.200 -0.019 0.000 0.965 361 S CB -0.557 62.634 63.200 -0.016 0.000 0.773 361 S HN 0.362 nan 8.310 nan 0.000 0.504 362 I N 1.882 122.427 120.570 -0.041 0.000 2.361 362 I HA -0.007 4.163 4.170 -0.000 0.000 0.251 362 I C 0.802 176.897 176.117 -0.038 0.000 1.133 362 I CA 0.643 61.914 61.300 -0.049 0.000 1.413 362 I CB -1.286 36.668 38.000 -0.078 0.000 1.073 362 I HN 0.211 nan 8.210 nan 0.000 0.424 363 V N 2.736 122.631 119.914 -0.032 0.000 2.299 363 V HA 0.078 4.198 4.120 -0.000 0.000 0.255 363 V C 1.470 177.555 176.094 -0.016 0.000 1.100 363 V CA -0.240 62.046 62.300 -0.024 0.000 0.938 363 V CB 0.061 31.872 31.823 -0.021 0.000 1.139 363 V HN 0.317 nan 8.190 nan 0.000 0.490 364 E N 2.993 123.184 120.200 -0.015 0.000 2.070 364 E HA -0.184 4.166 4.350 -0.000 0.000 0.197 364 E C 0.341 176.936 176.600 -0.007 0.000 1.004 364 E CA 1.241 57.635 56.400 -0.010 0.000 0.805 364 E CB 0.235 29.930 29.700 -0.009 0.000 0.744 364 E HN 0.739 nan 8.360 nan 0.000 0.451 365 E N 1.124 121.319 120.200 -0.007 0.000 3.037 365 E HA 0.179 4.529 4.350 -0.000 0.000 0.220 365 E C -2.427 174.170 176.600 -0.004 0.000 1.142 365 E CA -1.496 54.901 56.400 -0.005 0.000 0.888 365 E CB 1.294 30.991 29.700 -0.004 0.000 1.329 365 E HN 0.136 nan 8.360 nan 0.000 0.409 366 P HA 0.026 nan 4.420 nan 0.000 0.270 366 P C -0.294 177.007 177.300 0.002 0.000 1.223 366 P CA -0.011 63.089 63.100 -0.000 0.000 0.785 366 P CB 1.281 32.984 31.700 0.004 0.000 0.923 367 S N -0.476 115.225 115.700 0.003 0.000 2.705 367 S HA 0.288 4.757 4.470 -0.000 0.000 0.280 367 S C 0.889 175.493 174.600 0.007 0.000 1.174 367 S CA -0.661 57.541 58.200 0.003 0.000 0.823 367 S CB 1.146 64.345 63.200 -0.000 0.000 1.162 367 S HN 0.221 nan 8.310 nan 0.000 0.487 368 E N 1.092 121.296 120.200 0.006 0.000 2.136 368 E HA -0.152 4.197 4.350 -0.000 0.000 0.202 368 E C 0.888 177.491 176.600 0.005 0.000 1.019 368 E CA 1.954 58.359 56.400 0.008 0.000 0.819 368 E CB -0.109 29.593 29.700 0.003 0.000 0.739 368 E HN 0.623 nan 8.360 nan 0.000 0.458 369 E N -0.237 119.963 120.200 -0.001 0.000 2.499 369 E HA 0.144 4.494 4.350 -0.000 0.000 0.199 369 E C -0.411 176.184 176.600 -0.009 0.000 1.016 369 E CA -0.052 56.345 56.400 -0.005 0.000 0.933 369 E CB 0.006 29.704 29.700 -0.002 0.000 1.050 369 E HN 0.049 nan 8.360 nan 0.000 0.462 370 N N 1.032 119.728 118.700 -0.008 0.000 2.827 370 N HA 0.104 4.844 4.740 -0.000 0.000 0.240 370 N C -0.101 175.404 175.510 -0.008 0.000 1.352 370 N CA -0.066 52.976 53.050 -0.013 0.000 0.760 370 N CB 0.229 38.709 38.487 -0.011 0.000 1.426 370 N HN 0.060 nan 8.380 nan 0.000 0.561 371 I N -1.156 119.408 120.570 -0.010 0.000 4.240 371 I HA 0.575 4.745 4.170 -0.000 0.000 0.331 371 I C -0.472 175.642 176.117 -0.006 0.000 1.381 371 I CA -0.236 61.068 61.300 0.007 0.000 1.136 371 I CB 0.455 38.480 38.000 0.043 0.000 1.137 371 I HN 0.212 nan 8.210 nan 0.000 0.411 372 I N 3.063 123.614 120.570 -0.031 0.000 2.619 372 I HA 0.622 4.792 4.170 -0.000 0.000 0.292 372 I C -2.513 173.569 176.117 -0.059 0.000 1.100 372 I CA -2.411 58.861 61.300 -0.046 0.000 1.043 372 I CB 2.352 40.314 38.000 -0.063 0.000 1.239 372 I HN -0.083 nan 8.210 nan 0.000 0.420 373 P HA 0.198 nan 4.420 nan 0.000 0.277 373 P C -0.915 176.325 177.300 -0.101 0.000 1.276 373 P CA -0.405 62.642 63.100 -0.087 0.000 0.788 373 P CB 0.786 32.419 31.700 -0.111 0.000 1.114 374 S N -0.205 115.436 115.700 -0.098 0.000 2.525 374 S HA 0.360 4.830 4.470 -0.000 0.000 0.290 374 S C -1.588 172.938 174.600 -0.124 0.000 1.152 374 S CA -1.893 56.251 58.200 -0.092 0.000 1.072 374 S CB 0.471 63.639 63.200 -0.054 0.000 1.027 374 S HN 0.207 nan 8.310 nan 0.000 0.500 375 P HA -0.053 nan 4.420 nan 0.000 0.221 375 P C 0.932 178.223 177.300 -0.015 0.000 1.145 375 P CA 1.070 64.069 63.100 -0.168 0.000 0.795 375 P CB -0.034 31.496 31.700 -0.284 0.000 0.775 376 L N -1.647 119.595 121.223 0.031 0.000 2.591 376 L HA 0.109 4.448 4.340 -0.000 0.000 0.228 376 L C 0.994 177.941 176.870 0.129 0.000 1.133 376 L CA 0.007 54.935 54.840 0.147 0.000 0.880 376 L CB -0.686 41.429 42.059 0.094 0.000 1.033 376 L HN -0.056 nan 8.230 nan 0.000 0.450 377 N N 0.919 119.656 118.700 0.062 0.000 2.462 377 N HA 0.168 4.907 4.740 -0.000 0.000 0.242 377 N C -1.865 173.680 175.510 0.059 0.000 1.010 377 N CA -2.064 51.003 53.050 0.028 0.000 0.939 377 N CB 1.641 40.103 38.487 -0.043 0.000 1.127 377 N HN -0.190 nan 8.380 nan 0.000 0.509 378 P HA -0.127 nan 4.420 nan 0.000 0.216 378 P C 1.445 178.806 177.300 0.102 0.000 1.150 378 P CA 0.763 63.973 63.100 0.184 0.000 0.843 378 P CB 0.327 32.094 31.700 0.112 0.000 0.787 379 I N -1.227 119.353 120.570 0.018 0.000 2.423 379 I HA -0.162 4.008 4.170 -0.000 0.000 0.254 379 I C 2.195 178.262 176.117 -0.082 0.000 1.151 379 I CA 1.350 62.638 61.300 -0.019 0.000 1.421 379 I CB -1.474 36.510 38.000 -0.026 0.000 1.079 379 I HN -0.103 nan 8.210 nan 0.000 0.431 380 V N 0.588 120.385 119.914 -0.194 0.000 2.255 380 V HA -0.314 3.805 4.120 -0.000 0.000 0.247 380 V C 2.409 178.275 176.094 -0.381 0.000 1.051 380 V CA 2.024 64.103 62.300 -0.368 0.000 1.018 380 V CB -0.937 30.498 31.823 -0.647 0.000 0.641 380 V HN 0.239 nan 8.190 nan 0.000 0.445 381 Y N 0.541 120.817 120.300 -0.039 0.000 2.242 381 Y HA -0.019 4.531 4.550 -0.000 0.000 0.291 381 Y C 2.490 178.375 175.900 -0.025 0.000 1.137 381 Y CA 0.974 59.052 58.100 -0.038 0.000 1.181 381 Y CB -1.136 37.309 38.460 -0.024 0.000 0.989 381 Y HN 0.176 nan 8.280 nan 0.000 0.527 382 A N 0.630 123.507 122.820 0.095 0.000 1.877 382 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 382 A C 2.346 179.944 177.584 0.023 0.000 1.186 382 A CA 1.517 53.583 52.037 0.047 0.000 0.620 382 A CB -0.427 18.588 19.000 0.025 0.000 0.822 382 A HN 0.303 nan 8.150 nan 0.000 0.443 383 R N -0.612 119.886 120.500 -0.004 0.000 2.075 383 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 383 R C 2.232 178.528 176.300 -0.005 0.000 1.126 383 R CA 1.395 57.489 56.100 -0.009 0.000 0.963 383 R CB -0.483 29.799 30.300 -0.029 0.000 0.858 383 R HN 0.826 nan 8.270 nan 0.000 0.435 384 E N 0.961 121.149 120.200 -0.020 0.000 2.051 384 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 384 E C 1.962 178.575 176.600 0.022 0.000 0.991 384 E CA 1.185 57.579 56.400 -0.010 0.000 0.799 384 E CB -0.031 29.649 29.700 -0.034 0.000 0.748 384 E HN 0.289 nan 8.360 nan 0.000 0.449 385 A N 1.592 124.442 122.820 0.049 0.000 1.908 385 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 385 A C 2.235 179.857 177.584 0.063 0.000 1.181 385 A CA 1.773 53.850 52.037 0.067 0.000 0.627 385 A CB -0.666 18.387 19.000 0.089 0.000 0.818 385 A HN 0.289 nan 8.150 nan 0.000 0.445 386 R N -0.425 120.108 120.500 0.055 0.000 2.081 386 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 386 R C 2.291 178.618 176.300 0.045 0.000 1.131 386 R CA 1.513 57.649 56.100 0.059 0.000 0.960 386 R CB -0.433 29.896 30.300 0.048 0.000 0.856 386 R HN 0.429 nan 8.270 nan 0.000 0.436 387 A N 0.251 123.089 122.820 0.030 0.000 1.902 387 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 387 A C 2.263 179.861 177.584 0.023 0.000 1.181 387 A CA 1.611 53.661 52.037 0.023 0.000 0.623 387 A CB -0.533 18.475 19.000 0.014 0.000 0.818 387 A HN 0.238 nan 8.150 nan 0.000 0.443 388 V N -0.230 119.697 119.914 0.021 0.000 2.358 388 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 388 V C 3.048 179.153 176.094 0.018 0.000 1.047 388 V CA 1.877 64.185 62.300 0.012 0.000 1.035 388 V CB -1.171 30.649 31.823 -0.005 0.000 0.658 388 V HN 0.615 nan 8.190 nan 0.000 0.452 389 A N -0.312 122.530 122.820 0.037 0.000 1.902 389 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 389 A C 2.170 179.775 177.584 0.036 0.000 1.181 389 A CA 1.840 53.905 52.037 0.047 0.000 0.623 389 A CB -0.439 18.613 19.000 0.086 0.000 0.818 389 A HN 0.627 nan 8.150 nan 0.000 0.443 390 E N -0.834 119.388 120.200 0.037 0.000 2.106 390 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 390 E C 2.031 178.643 176.600 0.019 0.000 0.984 390 E CA 1.168 57.585 56.400 0.029 0.000 0.806 390 E CB -0.090 29.628 29.700 0.030 0.000 0.750 390 E HN 0.688 nan 8.360 nan 0.000 0.458 391 E N 1.346 121.557 120.200 0.018 0.000 2.077 391 E HA -0.146 4.203 4.350 -0.000 0.000 0.193 391 E C 1.855 178.462 176.600 0.011 0.000 0.989 391 E CA 1.413 57.822 56.400 0.015 0.000 0.800 391 E CB -0.210 29.500 29.700 0.016 0.000 0.746 391 E HN 0.207 nan 8.360 nan 0.000 0.452 392 A N 0.367 123.192 122.820 0.009 0.000 1.902 392 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 392 A C 2.330 179.914 177.584 0.000 0.000 1.181 392 A CA 1.855 53.894 52.037 0.003 0.000 0.623 392 A CB -0.538 18.462 19.000 -0.001 0.000 0.818 392 A HN 0.368 nan 8.150 nan 0.000 0.443 393 M N -0.947 118.654 119.600 0.002 0.000 2.132 393 M HA -0.113 4.366 4.480 -0.000 0.000 0.263 393 M C 2.297 178.596 176.300 -0.002 0.000 1.065 393 M CA 1.805 57.103 55.300 -0.004 0.000 1.122 393 M CB -0.295 32.303 32.600 -0.002 0.000 1.365 393 M HN 0.463 nan 8.290 nan 0.000 0.411 394 K N 0.507 120.909 120.400 0.003 0.000 2.057 394 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 394 K C 1.604 178.206 176.600 0.003 0.000 1.049 394 K CA 1.269 57.558 56.287 0.004 0.000 0.931 394 K CB 0.112 32.616 32.500 0.007 0.000 0.714 394 K HN 0.185 nan 8.250 nan 0.000 0.440 395 E N -0.740 119.462 120.200 0.004 0.000 2.358 395 E HA -0.036 4.314 4.350 -0.000 0.000 0.195 395 E C 1.140 177.741 176.600 0.001 0.000 1.010 395 E CA 0.968 57.371 56.400 0.004 0.000 0.856 395 E CB 0.324 30.029 29.700 0.007 0.000 0.795 395 E HN 0.637 nan 8.360 nan 0.000 0.504 396 G N 0.844 109.642 108.800 -0.003 0.000 2.157 396 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.239 396 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.239 396 G C 1.094 175.990 174.900 -0.007 0.000 0.982 396 G CA 0.562 45.658 45.100 -0.006 0.000 0.650 396 G HN 0.330 nan 8.290 nan 0.000 0.527 397 V N -2.241 117.670 119.914 -0.005 0.000 3.406 397 V HA 0.717 4.837 4.120 -0.000 0.000 0.263 397 V C 1.519 177.605 176.094 -0.013 0.000 1.172 397 V CA 1.090 63.388 62.300 -0.005 0.000 1.140 397 V CB -0.196 31.628 31.823 0.002 0.000 0.784 397 V HN 1.679 nan 8.190 nan 0.000 0.467 398 A N 0.824 123.632 122.820 -0.019 0.000 2.407 398 A HA 0.532 4.852 4.320 -0.000 0.000 0.248 398 A C 1.135 178.691 177.584 -0.047 0.000 1.082 398 A CA -0.226 51.792 52.037 -0.033 0.000 0.785 398 A CB 0.260 19.242 19.000 -0.030 0.000 1.020 398 A HN 0.502 nan 8.150 nan 0.000 0.489 399 R N -0.366 120.089 120.500 -0.074 0.000 2.397 399 R HA 0.175 4.515 4.340 -0.000 0.000 0.241 399 R C -0.042 176.191 176.300 -0.113 0.000 0.914 399 R CA 0.514 56.560 56.100 -0.089 0.000 1.071 399 R CB 0.613 30.849 30.300 -0.107 0.000 1.116 399 R HN 0.701 nan 8.270 nan 0.000 0.524 400 T N 0.042 114.527 114.554 -0.115 0.000 2.894 400 T HA 0.283 4.633 4.350 -0.000 0.000 0.309 400 T C -1.829 172.807 174.700 -0.106 0.000 1.208 400 T CA -0.710 61.314 62.100 -0.127 0.000 1.016 400 T CB 1.915 70.680 68.868 -0.172 0.000 1.192 400 T HN -0.047 nan 8.240 nan 0.000 0.491 401 K N 2.705 123.037 120.400 -0.114 0.000 2.244 401 K HA 0.772 5.092 4.320 -0.000 0.000 0.260 401 K C -0.957 175.558 176.600 -0.142 0.000 0.951 401 K CA -0.674 55.554 56.287 -0.099 0.000 0.826 401 K CB 1.244 33.697 32.500 -0.079 0.000 1.108 401 K HN 0.546 nan 8.250 nan 0.000 0.433 402 V N -0.409 119.438 119.914 -0.112 0.000 3.188 402 V HA 0.517 4.637 4.120 -0.000 0.000 0.305 402 V C -1.218 174.863 176.094 -0.022 0.000 1.232 402 V CA -1.301 60.908 62.300 -0.151 0.000 1.043 402 V CB 1.613 33.307 31.823 -0.216 0.000 1.068 402 V HN 0.738 nan 8.190 nan 0.000 0.439 403 K N 1.495 121.907 120.400 0.020 0.000 2.298 403 K HA 0.448 4.768 4.320 -0.000 0.000 0.280 403 K C 1.372 178.074 176.600 0.169 0.000 1.032 403 K CA 0.264 56.605 56.287 0.090 0.000 0.958 403 K CB 1.345 33.906 32.500 0.102 0.000 0.978 403 K HN 1.016 nan 8.250 nan 0.000 0.472 404 G N 2.715 111.586 108.800 0.117 0.000 2.442 404 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.219 404 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.219 404 G C 0.998 175.976 174.900 0.131 0.000 1.141 404 G CA 0.808 45.978 45.100 0.118 0.000 0.763 404 G HN 0.656 nan 8.290 nan 0.000 0.554 405 E N -0.738 119.537 120.200 0.125 0.000 2.153 405 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 405 E C 1.840 178.522 176.600 0.137 0.000 0.988 405 E CA 0.853 57.317 56.400 0.107 0.000 0.811 405 E CB -0.280 29.476 29.700 0.092 0.000 0.746 405 E HN 0.708 nan 8.360 nan 0.000 0.466 406 W N 0.436 121.752 121.300 0.026 0.000 2.381 406 W HA -0.162 4.498 4.660 -0.000 0.000 0.301 406 W C 1.779 178.338 176.519 0.067 0.000 1.205 406 W CA 1.126 58.489 57.345 0.030 0.000 1.285 406 W CB -0.142 29.315 29.460 -0.004 0.000 1.133 406 W HN -0.146 nan 8.180 nan 0.000 0.521 407 V N 0.715 120.774 119.914 0.242 0.000 2.343 407 V HA -0.333 3.786 4.120 -0.000 0.000 0.247 407 V C 2.222 178.297 176.094 -0.031 0.000 1.051 407 V CA 2.420 64.789 62.300 0.114 0.000 1.036 407 V CB -1.031 30.920 31.823 0.212 0.000 0.654 407 V HN 0.289 nan 8.190 nan 0.000 0.451 408 E N 0.110 120.308 120.200 -0.004 0.000 2.051 408 E HA -0.253 4.097 4.350 -0.000 0.000 0.192 408 E C 2.232 178.787 176.600 -0.075 0.000 0.991 408 E CA 1.601 57.990 56.400 -0.019 0.000 0.799 408 E CB -0.066 29.638 29.700 0.006 0.000 0.748 408 E HN 0.706 nan 8.360 nan 0.000 0.449 409 E N -0.605 119.521 120.200 -0.123 0.000 2.106 409 E HA -0.210 4.139 4.350 -0.000 0.000 0.192 409 E C 2.094 178.555 176.600 -0.230 0.000 0.984 409 E CA 0.847 57.154 56.400 -0.155 0.000 0.806 409 E CB -0.244 29.364 29.700 -0.154 0.000 0.750 409 E HN 0.453 nan 8.360 nan 0.000 0.458 410 H N 0.391 119.114 119.070 -0.578 0.000 2.353 410 H HA -0.097 4.459 4.556 -0.000 0.000 0.300 410 H C 1.758 176.912 175.328 -0.290 0.000 1.090 410 H CA 1.621 57.284 56.048 -0.643 0.000 1.327 410 H CB 0.339 29.437 29.762 -1.107 0.000 1.383 410 H HN 0.067 nan 8.280 nan 0.000 0.508 411 T N 1.723 116.132 114.554 -0.242 0.000 2.720 411 T HA -0.122 4.227 4.350 -0.000 0.000 0.268 411 T C 2.082 176.710 174.700 -0.121 0.000 1.037 411 T CA 1.210 63.199 62.100 -0.185 0.000 1.144 411 T CB -0.053 68.785 68.868 -0.050 0.000 0.864 411 T HN 0.254 nan 8.240 nan 0.000 0.444 412 I N 1.154 121.674 120.570 -0.083 0.000 2.315 412 I HA -0.034 4.136 4.170 -0.000 0.000 0.248 412 I C 2.518 178.614 176.117 -0.035 0.000 1.117 412 I CA 1.182 62.459 61.300 -0.039 0.000 1.404 412 I CB -1.049 36.935 38.000 -0.025 0.000 1.071 412 I HN 0.201 nan 8.210 nan 0.000 0.419 413 R N 0.944 121.407 120.500 -0.062 0.000 2.115 413 R HA -0.099 4.241 4.340 -0.000 0.000 0.230 413 R C 2.345 178.654 176.300 0.015 0.000 1.111 413 R CA 0.927 57.018 56.100 -0.015 0.000 0.976 413 R CB -0.059 30.232 30.300 -0.015 0.000 0.870 413 R HN 0.278 nan 8.270 nan 0.000 0.445 414 L N 0.184 121.362 121.223 -0.075 0.000 2.056 414 L HA -0.149 4.190 4.340 -0.000 0.000 0.207 414 L C 2.306 179.236 176.870 0.101 0.000 1.078 414 L CA 1.173 56.002 54.840 -0.019 0.000 0.749 414 L CB -0.256 41.699 42.059 -0.172 0.000 0.901 414 L HN 0.232 nan 8.230 nan 0.000 0.433 415 I N -0.379 120.207 120.570 0.027 0.000 2.315 415 I HA -0.282 3.887 4.170 -0.000 0.000 0.248 415 I C 2.615 178.784 176.117 0.087 0.000 1.117 415 I CA 1.241 62.560 61.300 0.032 0.000 1.404 415 I CB -0.262 37.727 38.000 -0.018 0.000 1.071 415 I HN 0.362 nan 8.210 nan 0.000 0.419 416 E N 1.118 121.366 120.200 0.080 0.000 2.085 416 E HA -0.293 4.057 4.350 -0.000 0.000 0.194 416 E C 2.222 178.884 176.600 0.104 0.000 0.994 416 E CA 1.521 57.967 56.400 0.077 0.000 0.801 416 E CB -0.163 29.579 29.700 0.071 0.000 0.743 416 E HN 0.413 nan 8.360 nan 0.000 0.453 417 F N 0.313 120.277 119.950 0.022 0.000 2.134 417 F HA -0.218 4.309 4.527 -0.000 0.000 0.299 417 F C 2.067 177.873 175.800 0.009 0.000 1.097 417 F CA 1.700 59.709 58.000 0.015 0.000 1.264 417 F CB -0.642 38.370 39.000 0.020 0.000 1.001 417 F HN 0.116 nan 8.300 nan 0.000 0.479 418 Y N 1.304 121.546 120.300 -0.097 0.000 2.114 418 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 418 Y C 2.415 178.182 175.900 -0.222 0.000 1.143 418 Y CA 2.391 60.374 58.100 -0.195 0.000 1.135 418 Y CB -0.479 37.927 38.460 -0.090 0.000 0.980 418 Y HN 0.190 nan 8.280 nan 0.000 0.499 419 E N -0.500 119.737 120.200 0.062 0.000 2.150 419 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 419 E C 1.683 178.221 176.600 -0.103 0.000 0.985 419 E CA 1.091 57.496 56.400 0.008 0.000 0.814 419 E CB -0.156 29.564 29.700 0.033 0.000 0.752 419 E HN 0.555 nan 8.360 nan 0.000 0.466 420 N N -0.047 118.565 118.700 -0.145 0.000 2.415 420 N HA -0.029 4.711 4.740 -0.000 0.000 0.176 420 N C 1.527 176.889 175.510 -0.246 0.000 1.042 420 N CA 0.658 53.618 53.050 -0.151 0.000 0.902 420 N CB 0.936 39.371 38.487 -0.087 0.000 0.986 420 N HN 0.035 nan 8.380 nan 0.000 0.447 421 V N 0.242 119.884 119.914 -0.453 0.000 2.996 421 V HA 0.114 4.234 4.120 -0.000 0.000 0.235 421 V C 1.904 177.687 176.094 -0.518 0.000 1.205 421 V CA 0.242 62.228 62.300 -0.524 0.000 1.225 421 V CB 0.405 31.708 31.823 -0.867 0.000 0.995 421 V HN 0.001 nan 8.190 nan 0.000 0.484 422 I N 1.259 121.399 120.570 -0.717 0.000 2.429 422 I HA 0.055 4.225 4.170 -0.000 0.000 0.247 422 I C 2.769 178.554 176.117 -0.552 0.000 1.099 422 I CA 1.652 62.537 61.300 -0.692 0.000 1.422 422 I CB -1.604 35.733 38.000 -1.105 0.000 1.112 422 I HN 0.257 nan 8.210 nan 0.000 0.430 423 A N 1.958 124.448 122.820 -0.550 0.000 1.917 423 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 423 A C 0.204 177.702 177.584 -0.143 0.000 1.182 423 A CA 2.033 53.939 52.037 -0.218 0.000 0.633 423 A CB -2.089 16.875 19.000 -0.059 0.000 0.819 423 A HN 0.287 nan 8.150 nan 0.000 0.448 424 P HA -0.134 nan 4.420 nan 0.000 0.216 424 P C 1.484 178.731 177.300 -0.088 0.000 1.153 424 P CA 1.420 64.459 63.100 -0.102 0.000 0.848 424 P CB -0.252 31.384 31.700 -0.107 0.000 0.787 425 I N -3.918 116.581 120.570 -0.119 0.000 2.830 425 I HA -0.044 4.126 4.170 -0.000 0.000 0.263 425 I C 1.453 177.532 176.117 -0.064 0.000 1.230 425 I CA 1.693 62.942 61.300 -0.086 0.000 1.480 425 I CB -1.105 36.833 38.000 -0.105 0.000 1.095 425 I HN -0.206 nan 8.210 nan 0.000 0.455 426 N N 1.441 120.095 118.700 -0.076 0.000 2.463 426 N HA -0.015 4.725 4.740 -0.000 0.000 0.181 426 N C 1.506 177.003 175.510 -0.021 0.000 1.078 426 N CA 0.684 53.707 53.050 -0.046 0.000 0.902 426 N CB -0.023 38.437 38.487 -0.044 0.000 0.970 426 N HN 0.562 nan 8.380 nan 0.000 0.451 427 K N 0.481 120.870 120.400 -0.020 0.000 2.098 427 K HA -0.030 4.290 4.320 -0.000 0.000 0.203 427 K C 1.813 178.421 176.600 0.012 0.000 1.051 427 K CA 0.716 57.001 56.287 -0.004 0.000 0.957 427 K CB 0.099 32.594 32.500 -0.009 0.000 0.738 427 K HN -0.120 nan 8.250 nan 0.000 0.447 428 K N 2.019 122.429 120.400 0.017 0.000 2.097 428 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 428 K C 1.918 178.596 176.600 0.130 0.000 1.049 428 K CA 1.272 57.594 56.287 0.059 0.000 0.933 428 K CB -0.135 32.397 32.500 0.055 0.000 0.717 428 K HN -0.051 nan 8.250 nan 0.000 0.442 429 R N 0.432 120.982 120.500 0.084 0.000 2.139 429 R HA -0.117 4.222 4.340 -0.000 0.000 0.243 429 R C 1.968 178.366 176.300 0.163 0.000 1.145 429 R CA 1.598 57.765 56.100 0.111 0.000 0.976 429 R CB -0.098 30.223 30.300 0.035 0.000 0.866 429 R HN 0.199 nan 8.270 nan 0.000 0.449 430 R N 0.243 120.795 120.500 0.086 0.000 2.127 430 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 430 R C 1.929 178.255 176.300 0.043 0.000 1.134 430 R CA 1.681 57.812 56.100 0.053 0.000 0.975 430 R CB -0.169 30.141 30.300 0.017 0.000 0.865 430 R HN 0.438 nan 8.270 nan 0.000 0.447 431 E N -0.446 119.779 120.200 0.041 0.000 2.338 431 E HA -0.172 4.177 4.350 -0.000 0.000 0.197 431 E C 0.941 177.405 176.600 -0.227 0.000 1.007 431 E CA 0.915 57.259 56.400 -0.094 0.000 0.849 431 E CB 0.063 29.669 29.700 -0.157 0.000 0.774 431 E HN 0.506 nan 8.360 nan 0.000 0.506 432 Y N -1.352 118.832 120.300 -0.193 0.000 2.500 432 Y HA 0.046 4.596 4.550 -0.000 0.000 0.270 432 Y C 2.157 177.884 175.900 -0.289 0.000 1.134 432 Y CA 0.351 58.208 58.100 -0.406 0.000 1.293 432 Y CB 0.873 38.862 38.460 -0.784 0.000 1.063 432 Y HN -0.058 nan 8.280 nan 0.000 0.534 433 S N -1.713 114.013 115.700 0.043 0.000 4.476 433 S HA -0.027 4.443 4.470 -0.000 0.000 0.193 433 S C 1.528 176.161 174.600 0.055 0.000 1.131 433 S CA 0.237 58.489 58.200 0.088 0.000 1.198 433 S CB -0.680 62.664 63.200 0.239 0.000 1.566 433 S HN 0.040 nan 8.310 nan 0.000 0.507 434 K N 2.647 123.079 120.400 0.054 0.000 2.020 434 K HA 0.152 4.472 4.320 -0.000 0.000 0.212 434 K C 0.483 177.089 176.600 0.010 0.000 1.050 434 K CA 2.089 58.389 56.287 0.021 0.000 0.929 434 K CB -0.448 32.052 32.500 0.000 0.000 0.714 434 K HN 0.424 nan 8.250 nan 0.000 0.443 435 A N 0.586 123.406 122.820 0.001 0.000 3.030 435 A HA 0.397 4.717 4.320 -0.000 0.000 0.335 435 A C -0.800 176.764 177.584 -0.033 0.000 1.089 435 A CA -0.645 51.386 52.037 -0.011 0.000 0.807 435 A CB -0.094 18.900 19.000 -0.009 0.000 1.099 435 A HN 0.222 nan 8.150 nan 0.000 0.474 436 I N 2.485 123.033 120.570 -0.038 0.000 2.421 436 I HA 0.060 4.230 4.170 -0.000 0.000 0.291 436 I C 0.499 176.582 176.117 -0.057 0.000 1.089 436 I CA 0.159 61.420 61.300 -0.066 0.000 1.354 436 I CB 0.903 38.867 38.000 -0.061 0.000 1.413 436 I HN 0.422 nan 8.210 nan 0.000 0.513 437 T N 7.632 122.144 114.554 -0.070 0.000 2.928 437 T HA 0.239 4.588 4.350 -0.000 0.000 0.305 437 T C 0.233 174.903 174.700 -0.051 0.000 1.035 437 T CA -0.064 62.002 62.100 -0.056 0.000 1.145 437 T CB 0.339 69.169 68.868 -0.063 0.000 0.963 437 T HN 0.541 nan 8.240 nan 0.000 0.545 438 R N 0.577 121.054 120.500 -0.037 0.000 2.808 438 R HA 0.698 5.038 4.340 -0.000 0.000 0.272 438 R C -0.129 176.155 176.300 -0.026 0.000 0.995 438 R CA -1.055 55.026 56.100 -0.032 0.000 0.917 438 R CB 1.663 31.948 30.300 -0.025 0.000 1.217 438 R HN 0.692 nan 8.270 nan 0.000 0.471 439 A N 0.000 122.806 122.820 -0.024 0.000 2.254 439 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 439 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 439 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 439 A HN 0.000 nan 8.150 nan 0.000 0.486