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 2j19_1_A DATA FIRST_RESID 1 DATA SEQUENCE EPGSGIGYPY DNNTLPYVAP GPTDSRAPCP ALNALANHGY IPHDGRAISR DATA SEQUENCE ETLQNAFLNH MGIANSVIEL ALTNAFVVCE YVTGSDCGDS LVNLTLLAEP DATA SEQUENCE HAFEHDHSFS RKDYKQGVAN SNDFIDNRNF DAETFQTSLD VVAGKTHFDY DATA SEQUENCE ADMNEIRLQR ESLSNELDFP GWFTESKPIQ NVESGFIFAL VSDFNLPDND DATA SEQUENCE ENPLVRIDWW KYWFTNESFP YHLGWHPPSP AREIEFVTSA SSAVLAASVT DATA SEQUENCE STPSSLPSGA IGPGAEAVPL SFASTMTPFL LATNAPYYAQ DPTLGPND 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.649 176.600 0.082 0.000 1.382 1 E CA 0.000 56.458 56.400 0.097 0.000 0.976 1 E CB 0.000 29.744 29.700 0.073 0.000 0.812 2 P HA -0.186 nan 4.420 nan 0.000 0.216 2 P C 1.214 178.537 177.300 0.039 0.000 1.153 2 P CA 1.795 64.937 63.100 0.071 0.000 0.858 2 P CB 0.139 31.880 31.700 0.069 0.000 0.789 3 G N 0.034 108.850 108.800 0.027 0.000 2.598 3 G HA2 -0.178 3.793 3.960 0.018 0.000 0.215 3 G HA3 -0.178 3.793 3.960 0.018 0.000 0.215 3 G C 1.695 176.592 174.900 -0.005 0.000 1.131 3 G CA 0.925 46.028 45.100 0.003 0.000 0.785 3 G HN 0.453 nan 8.290 nan 0.000 0.539 4 S N -0.033 115.676 115.700 0.014 0.000 2.447 4 S HA 0.187 4.668 4.470 0.018 0.000 0.233 4 S C 2.187 176.782 174.600 -0.008 0.000 1.006 4 S CA 1.201 59.410 58.200 0.015 0.000 0.957 4 S CB -0.530 62.697 63.200 0.046 0.000 0.773 4 S HN 1.463 nan 8.310 nan 0.000 0.507 5 G N 1.321 110.108 108.800 -0.022 0.000 2.180 5 G HA2 -0.315 3.655 3.960 0.018 0.000 0.263 5 G HA3 -0.315 3.655 3.960 0.018 0.000 0.263 5 G C 0.623 175.519 174.900 -0.007 0.000 0.989 5 G CA 0.631 45.711 45.100 -0.033 0.000 0.692 5 G HN 0.607 nan 8.290 nan 0.000 0.526 6 I N 0.499 121.039 120.570 -0.049 0.000 2.248 6 I HA -0.144 4.037 4.170 0.018 0.000 0.248 6 I C 2.818 178.733 176.117 -0.336 0.000 1.107 6 I CA 1.860 63.078 61.300 -0.136 0.000 1.373 6 I CB -0.260 37.656 38.000 -0.140 0.000 1.055 6 I HN 0.306 nan 8.210 nan 0.000 0.418 7 G N -0.996 107.589 108.800 -0.358 0.000 2.813 7 G HA2 -0.171 3.800 3.960 0.018 0.000 0.209 7 G HA3 -0.171 3.800 3.960 0.018 0.000 0.209 7 G C 0.493 175.420 174.900 0.044 0.000 1.150 7 G CA -0.228 44.717 45.100 -0.258 0.000 0.785 7 G HN 0.293 nan 8.290 nan 0.000 0.535 8 Y N 2.263 122.510 120.300 -0.088 0.000 2.411 8 Y HA 0.330 4.891 4.550 0.017 0.000 0.333 8 Y C -1.293 174.500 175.900 -0.177 0.000 1.186 8 Y CA -1.862 56.166 58.100 -0.120 0.000 1.381 8 Y CB 1.569 39.968 38.460 -0.101 0.000 1.273 8 Y HN -0.038 nan 8.280 nan 0.000 0.546 9 P HA 0.068 nan 4.420 nan 0.000 0.259 9 P C -0.244 176.562 177.300 -0.823 0.000 1.530 9 P CA 0.517 62.866 63.100 -1.252 0.000 1.022 9 P CB -0.004 30.854 31.700 -1.403 0.000 1.514 10 Y N 0.033 120.109 120.300 -0.373 0.000 2.347 10 Y HA 0.155 4.714 4.550 0.015 0.000 0.294 10 Y C 1.011 176.764 175.900 -0.245 0.000 1.117 10 Y CA 0.647 58.544 58.100 -0.339 0.000 1.184 10 Y CB 0.093 38.317 38.460 -0.393 0.000 1.047 10 Y HN -0.022 nan 8.280 nan 0.000 0.546 11 D N -0.690 119.703 120.400 -0.013 0.000 2.542 11 D HA 0.181 4.832 4.640 0.018 0.000 0.252 11 D C -0.582 175.718 176.300 -0.000 0.000 1.222 11 D CA -0.218 53.761 54.000 -0.035 0.000 0.895 11 D CB 0.469 41.289 40.800 0.033 0.000 1.207 11 D HN -0.060 nan 8.370 nan 0.000 0.558 12 N N 2.666 121.357 118.700 -0.016 0.000 2.270 12 N HA 0.104 4.855 4.740 0.018 0.000 0.198 12 N C -0.682 174.869 175.510 0.069 0.000 1.117 12 N CA 0.084 53.165 53.050 0.052 0.000 0.845 12 N CB 0.070 38.577 38.487 0.033 0.000 0.980 12 N HN 0.395 nan 8.380 nan 0.000 0.486 13 N N -0.606 118.147 118.700 0.088 0.000 2.673 13 N HA 0.044 4.795 4.740 0.018 0.000 0.265 13 N C -0.876 174.783 175.510 0.248 0.000 1.709 13 N CA -0.260 52.876 53.050 0.142 0.000 0.792 13 N CB 1.046 39.608 38.487 0.125 0.000 1.286 13 N HN -0.004 nan 8.380 nan 0.000 0.506 14 T N -1.394 113.290 114.554 0.216 0.000 2.849 14 T HA 0.630 4.991 4.350 0.018 0.000 0.284 14 T C 0.009 174.887 174.700 0.296 0.000 1.004 14 T CA -0.427 61.856 62.100 0.305 0.000 1.021 14 T CB 1.190 70.188 68.868 0.217 0.000 1.013 14 T HN 0.045 nan 8.240 nan 0.000 0.527 15 L N 1.819 123.248 121.223 0.344 0.000 2.388 15 L HA 0.549 4.900 4.340 0.018 0.000 0.264 15 L C -2.281 174.721 176.870 0.221 0.000 0.998 15 L CA -2.827 52.115 54.840 0.169 0.000 0.817 15 L CB 2.784 44.843 42.059 -0.000 0.000 1.338 15 L HN 0.544 nan 8.230 nan 0.000 0.414 16 P HA -0.006 nan 4.420 nan 0.000 0.274 16 P C -1.141 176.119 177.300 -0.066 0.000 1.237 16 P CA -0.228 62.952 63.100 0.133 0.000 0.793 16 P CB 0.522 32.269 31.700 0.078 0.000 0.977 17 Y N 2.061 122.175 120.300 -0.310 0.000 2.620 17 Y HA 0.249 4.809 4.550 0.018 0.000 0.330 17 Y C -0.649 175.087 175.900 -0.273 0.000 1.186 17 Y CA 0.495 58.252 58.100 -0.573 0.000 1.467 17 Y CB 0.315 38.575 38.460 -0.334 0.000 1.262 17 Y HN 0.064 nan 8.280 nan 0.000 0.550 18 V N 6.568 125.944 119.914 -0.896 0.000 2.577 18 V HA 0.580 4.711 4.120 0.018 0.000 0.303 18 V C -0.128 175.367 176.094 -0.998 0.000 1.042 18 V CA -0.949 60.924 62.300 -0.711 0.000 0.872 18 V CB 1.159 32.687 31.823 -0.492 0.000 0.998 18 V HN 1.060 nan 8.190 nan 0.000 0.423 19 A N 7.513 129.860 122.820 -0.787 0.000 2.483 19 A HA 0.568 4.899 4.320 0.018 0.000 0.238 19 A C -2.107 175.164 177.584 -0.521 0.000 1.070 19 A CA -0.764 50.892 52.037 -0.636 0.000 0.770 19 A CB -0.171 18.487 19.000 -0.570 0.000 1.008 19 A HN 0.622 nan 8.150 nan 0.000 0.497 20 P HA 0.245 nan 4.420 nan 0.000 0.275 20 P C 0.324 177.443 177.300 -0.302 0.000 1.227 20 P CA 0.274 63.220 63.100 -0.257 0.000 0.781 20 P CB 0.894 32.523 31.700 -0.118 0.000 0.906 21 G N 2.745 111.416 108.800 -0.214 0.000 2.528 21 G HA2 0.343 4.314 3.960 0.018 0.000 0.289 21 G HA3 0.343 4.314 3.960 0.018 0.000 0.289 21 G C -1.764 173.087 174.900 -0.082 0.000 1.192 21 G CA -1.514 43.483 45.100 -0.172 0.000 0.921 21 G HN 0.244 nan 8.290 nan 0.000 0.512 22 P HA -0.071 nan 4.420 nan 0.000 0.219 22 P C 1.878 179.172 177.300 -0.009 0.000 1.146 22 P CA 1.899 64.996 63.100 -0.005 0.000 0.808 22 P CB 0.182 31.881 31.700 -0.001 0.000 0.779 23 T N -5.851 108.688 114.554 -0.025 0.000 3.081 23 T HA 0.070 4.430 4.350 0.018 0.000 0.250 23 T C 0.570 175.259 174.700 -0.019 0.000 1.100 23 T CA -0.208 61.880 62.100 -0.019 0.000 1.038 23 T CB -0.532 68.323 68.868 -0.023 0.000 0.962 23 T HN -0.098 nan 8.240 nan 0.000 0.516 24 D N 2.528 122.911 120.400 -0.028 0.000 2.372 24 D HA 0.258 4.908 4.640 0.018 0.000 0.243 24 D C -0.257 176.037 176.300 -0.009 0.000 1.121 24 D CA 0.207 54.192 54.000 -0.025 0.000 0.898 24 D CB 1.467 42.240 40.800 -0.044 0.000 1.202 24 D HN 0.248 nan 8.370 nan 0.000 0.428 25 S N 1.574 117.270 115.700 -0.007 0.000 2.475 25 S HA 0.397 4.878 4.470 0.018 0.000 0.281 25 S C -0.292 174.308 174.600 -0.000 0.000 1.198 25 S CA -0.729 57.470 58.200 -0.002 0.000 1.063 25 S CB 0.440 63.637 63.200 -0.005 0.000 0.972 25 S HN 0.218 nan 8.310 nan 0.000 0.486 26 R N 1.721 122.227 120.500 0.009 0.000 2.912 26 R HA 0.764 5.115 4.340 0.018 0.000 0.262 26 R C -0.347 175.955 176.300 0.004 0.000 1.057 26 R CA -0.754 55.354 56.100 0.012 0.000 0.981 26 R CB 1.483 31.804 30.300 0.035 0.000 1.201 26 R HN 0.672 nan 8.270 nan 0.000 0.484 27 A N 1.416 124.235 122.820 -0.003 0.000 2.282 27 A HA 0.594 4.925 4.320 0.018 0.000 0.324 27 A C -1.939 175.621 177.584 -0.041 0.000 1.119 27 A CA -1.333 50.689 52.037 -0.026 0.000 0.880 27 A CB 0.674 19.658 19.000 -0.025 0.000 1.294 27 A HN 0.477 nan 8.150 nan 0.000 0.493 28 P HA 0.083 nan 4.420 nan 0.000 0.249 28 P C 0.061 177.292 177.300 -0.116 0.000 1.241 28 P CA 0.329 63.372 63.100 -0.095 0.000 0.781 28 P CB -0.377 31.255 31.700 -0.113 0.000 1.088 29 C N 2.803 122.051 119.300 -0.086 0.000 2.281 29 C HA 0.483 4.953 4.460 0.018 0.000 0.325 29 C C -1.097 173.854 174.990 -0.066 0.000 1.282 29 C CA -2.558 56.431 59.018 -0.048 0.000 1.640 29 C CB 1.193 28.954 27.740 0.034 0.000 2.288 29 C HN 0.106 nan 8.230 nan 0.000 0.507 30 P HA -0.013 nan 4.420 nan 0.000 0.225 30 P C 1.196 178.643 177.300 0.245 0.000 1.156 30 P CA 1.688 64.604 63.100 -0.306 0.000 0.787 30 P CB 0.133 31.099 31.700 -1.222 0.000 0.802 31 A N 0.578 123.691 122.820 0.488 0.000 1.854 31 A HA -0.073 4.257 4.320 0.018 0.000 0.214 31 A C 2.384 180.157 177.584 0.315 0.000 1.192 31 A CA 1.147 53.548 52.037 0.607 0.000 0.611 31 A CB -1.553 17.883 19.000 0.727 0.000 0.832 31 A HN 0.093 nan 8.150 nan 0.000 0.442 32 L N -0.022 121.357 121.223 0.261 0.000 2.083 32 L HA -0.212 4.138 4.340 0.018 0.000 0.209 32 L C 2.230 179.141 176.870 0.068 0.000 1.083 32 L CA 1.204 56.124 54.840 0.133 0.000 0.752 32 L CB -0.695 41.443 42.059 0.132 0.000 0.899 32 L HN 0.352 nan 8.230 nan 0.000 0.433 33 N N 0.322 119.063 118.700 0.068 0.000 2.188 33 N HA -0.125 4.625 4.740 0.018 0.000 0.184 33 N C 1.911 177.437 175.510 0.027 0.000 1.018 33 N CA 1.489 54.558 53.050 0.032 0.000 0.858 33 N CB -0.320 38.180 38.487 0.023 0.000 0.989 33 N HN 0.311 nan 8.380 nan 0.000 0.426 34 A N 1.219 124.068 122.820 0.048 0.000 1.902 34 A HA -0.048 4.282 4.320 0.018 0.000 0.217 34 A C 2.351 179.983 177.584 0.081 0.000 1.181 34 A CA 0.914 52.928 52.037 -0.038 0.000 0.623 34 A CB -0.766 18.040 19.000 -0.324 0.000 0.818 34 A HN 0.210 nan 8.150 nan 0.000 0.443 35 L N -0.797 120.506 121.223 0.133 0.000 2.046 35 L HA -0.218 4.132 4.340 0.018 0.000 0.208 35 L C 3.096 179.956 176.870 -0.017 0.000 1.077 35 L CA 1.171 56.107 54.840 0.159 0.000 0.747 35 L CB -0.583 41.472 42.059 -0.007 0.000 0.896 35 L HN 0.448 nan 8.230 nan 0.000 0.432 36 A N 0.104 122.887 122.820 -0.062 0.000 1.898 36 A HA -0.185 4.145 4.320 0.018 0.000 0.216 36 A C 2.014 179.451 177.584 -0.244 0.000 1.181 36 A CA 1.679 53.628 52.037 -0.148 0.000 0.620 36 A CB -0.531 18.424 19.000 -0.076 0.000 0.819 36 A HN 0.421 nan 8.150 nan 0.000 0.442 37 N N -0.151 118.443 118.700 -0.178 0.000 2.289 37 N HA -0.127 4.624 4.740 0.018 0.000 0.184 37 N C 1.237 176.477 175.510 -0.450 0.000 1.016 37 N CA 1.242 54.109 53.050 -0.305 0.000 0.872 37 N CB -0.493 37.808 38.487 -0.310 0.000 0.973 37 N HN 0.651 nan 8.380 nan 0.000 0.433 38 H N -0.969 117.860 119.070 -0.402 0.000 2.553 38 H HA 0.174 4.741 4.556 0.017 0.000 0.265 38 H C 1.020 175.797 175.328 -0.918 0.000 0.964 38 H CA 0.692 56.365 56.048 -0.624 0.000 1.156 38 H CB 0.468 29.697 29.762 -0.889 0.000 1.411 38 H HN 0.267 nan 8.280 nan 0.000 0.558 39 G N 1.033 109.248 108.800 -0.975 0.000 2.143 39 G HA2 -0.338 3.632 3.960 0.018 0.000 0.248 39 G HA3 -0.338 3.632 3.960 0.018 0.000 0.248 39 G C 0.419 175.075 174.900 -0.405 0.000 0.991 39 G CA 0.501 45.002 45.100 -0.997 0.000 0.689 39 G HN 0.388 nan 8.290 nan 0.000 0.522 40 Y N 0.034 120.202 120.300 -0.221 0.000 2.373 40 Y HA 0.292 4.853 4.550 0.018 0.000 0.293 40 Y C 2.078 177.919 175.900 -0.098 0.000 1.129 40 Y CA 0.593 58.590 58.100 -0.171 0.000 1.226 40 Y CB -0.132 38.197 38.460 -0.219 0.000 1.000 40 Y HN 0.695 nan 8.280 nan 0.000 0.549 41 I N -3.363 117.212 120.570 0.008 0.000 2.910 41 I HA 0.541 4.722 4.170 0.018 0.000 0.310 41 I C -2.805 173.258 176.117 -0.090 0.000 1.043 41 I CA -2.966 58.327 61.300 -0.012 0.000 1.053 41 I CB 1.979 39.981 38.000 0.004 0.000 1.242 41 I HN -0.381 nan 8.210 nan 0.000 0.452 42 P HA -0.017 nan 4.420 nan 0.000 0.260 42 P C -0.170 177.083 177.300 -0.078 0.000 1.172 42 P CA 0.699 63.771 63.100 -0.047 0.000 0.760 42 P CB 0.159 31.861 31.700 0.004 0.000 0.773 43 H N 2.156 121.183 119.070 -0.071 0.000 2.394 43 H HA -0.214 4.354 4.556 0.020 0.000 0.297 43 H C 1.535 176.806 175.328 -0.094 0.000 1.113 43 H CA 2.197 58.179 56.048 -0.111 0.000 1.277 43 H CB -0.001 29.681 29.762 -0.134 0.000 1.370 43 H HN 0.555 nan 8.280 nan 0.000 0.506 44 D N -0.838 119.594 120.400 0.054 0.000 2.355 44 D HA 0.016 4.667 4.640 0.018 0.000 0.218 44 D C 1.537 177.837 176.300 -0.000 0.000 1.004 44 D CA 0.765 54.772 54.000 0.012 0.000 0.880 44 D CB -0.445 40.358 40.800 0.006 0.000 0.911 44 D HN 0.423 nan 8.370 nan 0.000 0.528 45 G N 0.295 109.093 108.800 -0.004 0.000 2.198 45 G HA2 -0.334 3.637 3.960 0.018 0.000 0.260 45 G HA3 -0.334 3.637 3.960 0.018 0.000 0.260 45 G C 0.029 174.928 174.900 -0.001 0.000 1.025 45 G CA 0.184 45.280 45.100 -0.006 0.000 0.769 45 G HN 0.506 nan 8.290 nan 0.000 0.507 46 R N -0.852 119.651 120.500 0.006 0.000 2.740 46 R HA 0.691 5.042 4.340 0.018 0.000 0.282 46 R C 0.663 176.977 176.300 0.024 0.000 0.969 46 R CA -0.407 55.699 56.100 0.010 0.000 0.918 46 R CB 1.738 32.043 30.300 0.009 0.000 1.175 46 R HN 1.541 nan 8.270 nan 0.000 0.464 47 A N 2.153 124.991 122.820 0.031 0.000 2.546 47 A HA -0.161 4.170 4.320 0.018 0.000 0.295 47 A C -0.299 177.330 177.584 0.075 0.000 1.455 47 A CA 0.394 52.464 52.037 0.054 0.000 0.730 47 A CB -1.912 17.116 19.000 0.047 0.000 1.111 47 A HN 0.600 nan 8.150 nan 0.000 0.411 48 I N 1.719 122.343 120.570 0.090 0.000 2.339 48 I HA 0.446 4.627 4.170 0.018 0.000 0.290 48 I C 0.977 177.222 176.117 0.213 0.000 0.994 48 I CA 0.046 61.417 61.300 0.119 0.000 1.191 48 I CB 1.917 39.973 38.000 0.093 0.000 1.343 48 I HN 0.662 nan 8.210 nan 0.000 0.458 49 S N 5.483 121.300 115.700 0.195 0.000 2.652 49 S HA 0.396 4.877 4.470 0.018 0.000 0.270 49 S C 1.054 175.802 174.600 0.246 0.000 1.243 49 S CA -0.641 57.693 58.200 0.223 0.000 0.999 49 S CB 1.563 64.841 63.200 0.131 0.000 0.973 49 S HN 0.639 nan 8.310 nan 0.000 0.544 50 R N 0.639 121.261 120.500 0.203 0.000 2.083 50 R HA -0.113 4.238 4.340 0.018 0.000 0.237 50 R C 2.382 178.773 176.300 0.152 0.000 1.137 50 R CA 1.862 58.073 56.100 0.186 0.000 0.951 50 R CB -0.458 29.872 30.300 0.050 0.000 0.851 50 R HN 0.908 nan 8.270 nan 0.000 0.434 51 E N -0.052 120.211 120.200 0.105 0.000 2.110 51 E HA -0.154 4.206 4.350 0.018 0.000 0.193 51 E C 1.472 178.138 176.600 0.109 0.000 0.988 51 E CA 1.552 58.007 56.400 0.092 0.000 0.804 51 E CB 0.149 29.886 29.700 0.062 0.000 0.745 51 E HN 0.235 nan 8.360 nan 0.000 0.458 52 T N 1.347 115.972 114.554 0.118 0.000 2.684 52 T HA -0.182 4.179 4.350 0.018 0.000 0.267 52 T C 1.857 176.641 174.700 0.140 0.000 1.036 52 T CA 1.332 63.503 62.100 0.117 0.000 1.148 52 T CB -0.238 68.696 68.868 0.111 0.000 0.863 52 T HN 0.147 nan 8.240 nan 0.000 0.436 53 L N 0.599 121.934 121.223 0.187 0.000 2.017 53 L HA -0.177 4.173 4.340 0.018 0.000 0.208 53 L C 2.972 180.043 176.870 0.335 0.000 1.073 53 L CA 1.522 56.523 54.840 0.268 0.000 0.745 53 L CB -0.576 41.690 42.059 0.346 0.000 0.894 53 L HN 0.310 nan 8.230 nan 0.000 0.432 54 Q N -0.135 119.816 119.800 0.252 0.000 2.061 54 Q HA -0.236 4.115 4.340 0.018 0.000 0.204 54 Q C 1.996 178.095 176.000 0.165 0.000 0.984 54 Q CA 2.120 58.048 55.803 0.209 0.000 0.846 54 Q CB -0.296 28.519 28.738 0.129 0.000 0.902 54 Q HN 0.608 nan 8.270 nan 0.000 0.421 55 N N 0.129 118.897 118.700 0.114 0.000 2.142 55 N HA -0.135 4.616 4.740 0.018 0.000 0.186 55 N C 1.783 177.316 175.510 0.038 0.000 1.023 55 N CA 0.732 53.815 53.050 0.055 0.000 0.852 55 N CB -0.119 38.398 38.487 0.050 0.000 0.998 55 N HN 0.198 nan 8.380 nan 0.000 0.424 56 A N 0.837 123.707 122.820 0.083 0.000 1.877 56 A HA -0.122 4.208 4.320 0.018 0.000 0.216 56 A C 1.796 179.354 177.584 -0.044 0.000 1.186 56 A CA 1.203 53.278 52.037 0.062 0.000 0.620 56 A CB -0.820 18.176 19.000 -0.007 0.000 0.822 56 A HN 0.190 nan 8.150 nan 0.000 0.443 57 F N -0.813 119.164 119.950 0.045 0.000 2.146 57 F HA -0.089 4.441 4.527 0.006 0.000 0.298 57 F C 2.075 177.833 175.800 -0.070 0.000 1.096 57 F CA 1.460 59.461 58.000 0.001 0.000 1.275 57 F CB -0.482 38.522 39.000 0.007 0.000 1.008 57 F HN 0.262 nan 8.300 nan 0.000 0.480 58 L N 0.326 121.615 121.223 0.110 0.000 2.027 58 L HA -0.160 4.191 4.340 0.018 0.000 0.206 58 L C 1.632 178.418 176.870 -0.140 0.000 1.074 58 L CA 2.072 56.907 54.840 -0.010 0.000 0.745 58 L CB -0.996 41.057 42.059 -0.010 0.000 0.898 58 L HN 0.072 nan 8.230 nan 0.000 0.433 59 N N -2.260 116.284 118.700 -0.260 0.000 2.376 59 N HA -0.057 4.693 4.740 0.018 0.000 0.177 59 N C 1.040 176.107 175.510 -0.738 0.000 1.024 59 N CA 0.754 53.494 53.050 -0.516 0.000 0.893 59 N CB 0.063 38.151 38.487 -0.664 0.000 0.980 59 N HN 0.435 nan 8.380 nan 0.000 0.439 60 H N -1.174 117.694 119.070 -0.337 0.000 3.046 60 H HA 0.303 4.869 4.556 0.016 0.000 0.262 60 H C 0.825 175.890 175.328 -0.437 0.000 1.044 60 H CA 0.409 56.158 56.048 -0.499 0.000 1.209 60 H CB 0.758 29.945 29.762 -0.957 0.000 1.507 60 H HN 0.184 nan 8.280 nan 0.000 0.507 61 M N -0.743 118.742 119.600 -0.192 0.000 2.289 61 M HA 0.247 4.737 4.480 0.018 0.000 0.335 61 M C 0.772 177.030 176.300 -0.071 0.000 0.961 61 M CA 0.188 55.417 55.300 -0.118 0.000 1.018 61 M CB 1.923 34.530 32.600 0.011 0.000 1.678 61 M HN 0.218 nan 8.290 nan 0.000 0.589 62 G N 2.438 111.166 108.800 -0.120 0.000 2.323 62 G HA2 -0.210 3.760 3.960 0.018 0.000 0.292 62 G HA3 -0.210 3.760 3.960 0.018 0.000 0.292 62 G C -0.339 174.519 174.900 -0.070 0.000 1.040 62 G CA -0.019 45.004 45.100 -0.128 0.000 0.942 62 G HN 0.406 nan 8.290 nan 0.000 0.506 63 I N 0.613 121.182 120.570 -0.002 0.000 2.411 63 I HA 0.605 4.785 4.170 0.018 0.000 0.284 63 I C 0.839 176.960 176.117 0.007 0.000 1.012 63 I CA -1.008 60.293 61.300 0.001 0.000 1.119 63 I CB 0.901 38.913 38.000 0.020 0.000 1.261 63 I HN 0.343 nan 8.210 nan 0.000 0.448 64 A N 5.529 128.342 122.820 -0.011 0.000 2.346 64 A HA 0.270 4.601 4.320 0.018 0.000 0.252 64 A C 1.182 178.770 177.584 0.008 0.000 1.089 64 A CA -0.156 51.882 52.037 0.001 0.000 0.797 64 A CB 0.215 19.217 19.000 0.003 0.000 1.047 64 A HN 0.723 nan 8.150 nan 0.000 0.494 65 N N 0.706 119.419 118.700 0.022 0.000 2.149 65 N HA -0.181 4.570 4.740 0.018 0.000 0.188 65 N C 2.074 177.602 175.510 0.031 0.000 1.019 65 N CA 1.954 55.023 53.050 0.032 0.000 0.857 65 N CB -0.551 37.958 38.487 0.037 0.000 0.997 65 N HN 0.782 nan 8.380 nan 0.000 0.426 66 S N -0.087 115.635 115.700 0.037 0.000 2.400 66 S HA -0.089 4.392 4.470 0.018 0.000 0.232 66 S C 2.052 176.696 174.600 0.073 0.000 1.025 66 S CA 1.059 59.291 58.200 0.053 0.000 0.993 66 S CB -0.738 62.495 63.200 0.056 0.000 0.808 66 S HN 0.078 nan 8.310 nan 0.000 0.478 67 V N 2.672 122.623 119.914 0.061 0.000 2.515 67 V HA -0.038 4.093 4.120 0.018 0.000 0.250 67 V C 2.206 178.355 176.094 0.092 0.000 1.058 67 V CA 1.782 64.142 62.300 0.101 0.000 1.064 67 V CB -0.936 30.896 31.823 0.016 0.000 0.675 67 V HN 0.839 nan 8.190 nan 0.000 0.461 68 I N -2.552 118.010 120.570 -0.013 0.000 3.976 68 I HA 0.256 4.437 4.170 0.018 0.000 0.337 68 I C 1.852 178.025 176.117 0.093 0.000 1.359 68 I CA 0.414 61.707 61.300 -0.010 0.000 1.098 68 I CB -0.185 37.688 38.000 -0.213 0.000 1.027 68 I HN 0.204 nan 8.210 nan 0.000 0.394 69 E N 1.605 121.860 120.200 0.092 0.000 2.038 69 E HA -0.264 4.097 4.350 0.018 0.000 0.195 69 E C 2.078 178.741 176.600 0.105 0.000 1.000 69 E CA 1.823 58.277 56.400 0.091 0.000 0.803 69 E CB -0.014 29.727 29.700 0.068 0.000 0.750 69 E HN 0.545 nan 8.360 nan 0.000 0.448 70 L N 0.784 122.069 121.223 0.103 0.000 2.046 70 L HA -0.071 4.280 4.340 0.018 0.000 0.208 70 L C 2.261 179.189 176.870 0.097 0.000 1.077 70 L CA 2.152 57.036 54.840 0.072 0.000 0.747 70 L CB -0.788 41.295 42.059 0.040 0.000 0.896 70 L HN 0.218 nan 8.230 nan 0.000 0.432 71 A N -0.618 122.325 122.820 0.206 0.000 1.908 71 A HA -0.186 4.145 4.320 0.018 0.000 0.218 71 A C 2.272 180.089 177.584 0.389 0.000 1.181 71 A CA 2.014 54.276 52.037 0.375 0.000 0.627 71 A CB -0.856 18.433 19.000 0.482 0.000 0.818 71 A HN 0.495 nan 8.150 nan 0.000 0.445 72 L N -0.965 120.439 121.223 0.301 0.000 2.017 72 L HA -0.171 4.179 4.340 0.018 0.000 0.208 72 L C 2.852 179.965 176.870 0.406 0.000 1.073 72 L CA 1.820 56.882 54.840 0.370 0.000 0.745 72 L CB -1.017 41.213 42.059 0.285 0.000 0.894 72 L HN 0.343 nan 8.230 nan 0.000 0.432 73 T N -0.281 114.419 114.554 0.244 0.000 2.635 73 T HA -0.190 4.171 4.350 0.018 0.000 0.267 73 T C 1.717 176.548 174.700 0.218 0.000 1.040 73 T CA 1.752 63.968 62.100 0.193 0.000 1.156 73 T CB -0.277 68.645 68.868 0.091 0.000 0.863 73 T HN 0.282 nan 8.240 nan 0.000 0.430 74 N N 1.073 119.852 118.700 0.131 0.000 2.188 74 N HA 0.064 4.815 4.740 0.018 0.000 0.184 74 N C 2.093 177.782 175.510 0.298 0.000 1.018 74 N CA 1.119 54.205 53.050 0.060 0.000 0.858 74 N CB -0.607 37.620 38.487 -0.432 0.000 0.989 74 N HN 0.423 nan 8.380 nan 0.000 0.426 75 A N 0.365 123.441 122.820 0.427 0.000 1.883 75 A HA -0.119 4.211 4.320 0.018 0.000 0.217 75 A C 1.984 179.618 177.584 0.082 0.000 1.186 75 A CA 1.180 53.397 52.037 0.300 0.000 0.624 75 A CB -0.939 18.168 19.000 0.178 0.000 0.822 75 A HN 0.221 nan 8.150 nan 0.000 0.444 76 F N -0.526 119.543 119.950 0.198 0.000 2.259 76 F HA -0.076 4.468 4.527 0.029 0.000 0.298 76 F C 2.395 178.292 175.800 0.162 0.000 1.088 76 F CA 1.160 59.252 58.000 0.155 0.000 1.358 76 F CB -0.339 38.734 39.000 0.122 0.000 1.040 76 F HN 0.016 nan 8.300 nan 0.000 0.505 77 V N -0.634 119.475 119.914 0.326 0.000 2.287 77 V HA -0.281 3.850 4.120 0.018 0.000 0.248 77 V C 2.241 178.536 176.094 0.335 0.000 1.053 77 V CA 1.665 64.145 62.300 0.301 0.000 1.027 77 V CB -0.702 31.277 31.823 0.259 0.000 0.646 77 V HN 0.155 nan 8.190 nan 0.000 0.447 78 V N -1.271 118.833 119.914 0.316 0.000 2.427 78 V HA -0.270 3.860 4.120 0.018 0.000 0.248 78 V C 2.519 178.689 176.094 0.127 0.000 1.051 78 V CA 1.951 64.404 62.300 0.256 0.000 1.048 78 V CB -0.615 31.374 31.823 0.277 0.000 0.666 78 V HN 0.761 nan 8.190 nan 0.000 0.456 79 C N 0.334 119.680 119.300 0.077 0.000 2.413 79 C HA -0.222 4.249 4.460 0.018 0.000 0.276 79 C C 2.855 177.879 174.990 0.056 0.000 1.236 79 C CA 2.012 61.035 59.018 0.009 0.000 1.735 79 C CB -0.750 26.942 27.740 -0.080 0.000 2.031 79 C HN 0.746 nan 8.230 nan 0.000 0.474 80 E N -1.516 118.764 120.200 0.134 0.000 2.072 80 E HA -0.249 4.111 4.350 0.018 0.000 0.191 80 E C 2.048 178.730 176.600 0.136 0.000 0.985 80 E CA 1.480 57.963 56.400 0.140 0.000 0.801 80 E CB -0.539 29.268 29.700 0.178 0.000 0.750 80 E HN 0.798 nan 8.360 nan 0.000 0.452 81 Y N 0.763 121.065 120.300 0.004 0.000 2.145 81 Y HA -0.191 4.369 4.550 0.016 0.000 0.286 81 Y C 1.950 177.777 175.900 -0.122 0.000 1.145 81 Y CA 1.549 59.595 58.100 -0.089 0.000 1.148 81 Y CB -0.572 37.706 38.460 -0.304 0.000 0.981 81 Y HN -0.062 nan 8.280 nan 0.000 0.507 82 V N 0.157 119.865 119.914 -0.342 0.000 2.379 82 V HA -0.252 3.878 4.120 0.018 0.000 0.245 82 V C 2.510 178.472 176.094 -0.219 0.000 1.044 82 V CA 2.515 64.571 62.300 -0.407 0.000 1.036 82 V CB -1.239 30.422 31.823 -0.271 0.000 0.664 82 V HN 0.679 nan 8.190 nan 0.000 0.453 83 T N -2.814 111.674 114.554 -0.110 0.000 3.054 83 T HA 0.226 4.586 4.350 0.018 0.000 0.259 83 T C 1.614 176.292 174.700 -0.037 0.000 1.092 83 T CA 1.050 63.114 62.100 -0.060 0.000 1.121 83 T CB 0.455 69.310 68.868 -0.021 0.000 0.912 83 T HN 1.003 nan 8.240 nan 0.000 0.489 84 G N 1.078 109.865 108.800 -0.022 0.000 2.143 84 G HA2 -0.173 3.797 3.960 0.018 0.000 0.249 84 G HA3 -0.173 3.797 3.960 0.018 0.000 0.249 84 G C 0.170 175.090 174.900 0.033 0.000 0.981 84 G CA 0.452 45.557 45.100 0.008 0.000 0.665 84 G HN 1.608 nan 8.290 nan 0.000 0.528 85 S N -1.142 114.584 115.700 0.043 0.000 2.570 85 S HA 0.587 5.067 4.470 0.018 0.000 0.270 85 S C -1.004 173.643 174.600 0.078 0.000 1.149 85 S CA -0.256 57.977 58.200 0.055 0.000 0.837 85 S CB 2.492 65.718 63.200 0.043 0.000 1.124 85 S HN 0.317 nan 8.310 nan 0.000 0.465 86 D N 0.258 120.708 120.400 0.085 0.000 2.450 86 D HA 0.125 4.776 4.640 0.018 0.000 0.247 86 D C 0.196 176.568 176.300 0.120 0.000 1.162 86 D CA -0.053 54.012 54.000 0.109 0.000 0.879 86 D CB 0.783 41.637 40.800 0.090 0.000 1.163 86 D HN 0.626 nan 8.370 nan 0.000 0.472 87 C N 3.576 122.981 119.300 0.175 0.000 2.780 87 C HA 0.376 4.847 4.460 0.018 0.000 0.287 87 C C 1.501 176.627 174.990 0.226 0.000 1.288 87 C CA 0.052 59.181 59.018 0.185 0.000 1.713 87 C CB -1.087 26.763 27.740 0.183 0.000 1.955 87 C HN 0.902 nan 8.230 nan 0.000 0.613 88 G N 2.005 110.905 108.800 0.166 0.000 2.602 88 G HA2 -0.349 3.621 3.960 0.018 0.000 0.310 88 G HA3 -0.349 3.621 3.960 0.018 0.000 0.310 88 G C 0.217 175.117 174.900 0.000 0.000 1.183 88 G CA 1.011 46.155 45.100 0.074 0.000 0.979 88 G HN 0.436 nan 8.290 nan 0.000 0.545 89 D N 0.325 120.741 120.400 0.027 0.000 2.788 89 D HA 0.494 5.144 4.640 0.018 0.000 0.289 89 D C -0.116 176.312 176.300 0.213 0.000 1.340 89 D CA 0.867 54.848 54.000 -0.031 0.000 0.831 89 D CB -0.031 40.723 40.800 -0.077 0.000 1.103 89 D HN 0.510 nan 8.370 nan 0.000 0.476 90 S N 0.927 116.840 115.700 0.355 0.000 2.524 90 S HA 0.302 4.782 4.470 0.018 0.000 0.227 90 S C -0.857 173.902 174.600 0.266 0.000 1.304 90 S CA -0.733 57.633 58.200 0.275 0.000 1.185 90 S CB -0.042 63.250 63.200 0.153 0.000 1.104 90 S HN 0.247 nan 8.310 nan 0.000 0.475 91 L N 6.516 127.858 121.223 0.199 0.000 2.584 91 L HA 0.208 4.559 4.340 0.018 0.000 0.272 91 L C 1.337 178.181 176.870 -0.044 0.000 1.195 91 L CA 0.685 55.435 54.840 -0.151 0.000 0.920 91 L CB 0.521 42.375 42.059 -0.342 0.000 1.173 91 L HN 0.541 nan 8.230 nan 0.000 0.489 92 V N 3.963 123.850 119.914 -0.044 0.000 2.287 92 V HA -0.197 3.933 4.120 0.018 0.000 0.248 92 V C 0.732 176.815 176.094 -0.018 0.000 1.053 92 V CA 2.136 64.430 62.300 -0.011 0.000 1.027 92 V CB -0.956 30.860 31.823 -0.011 0.000 0.646 92 V HN 1.097 nan 8.190 nan 0.000 0.447 93 N N -3.010 115.667 118.700 -0.038 0.000 3.106 93 N HA 0.272 5.023 4.740 0.018 0.000 0.253 93 N C -0.256 175.229 175.510 -0.041 0.000 1.506 93 N CA -0.736 52.297 53.050 -0.029 0.000 0.876 93 N CB 0.822 39.297 38.487 -0.019 0.000 1.452 93 N HN -0.091 nan 8.380 nan 0.000 0.542 94 L N -0.593 120.614 121.223 -0.027 0.000 2.209 94 L HA 0.078 4.428 4.340 0.018 0.000 0.207 94 L C 1.544 178.395 176.870 -0.033 0.000 1.094 94 L CA 1.048 55.872 54.840 -0.028 0.000 0.790 94 L CB -0.493 41.559 42.059 -0.012 0.000 0.932 94 L HN 0.686 nan 8.230 nan 0.000 0.447 95 T N 1.454 115.993 114.554 -0.024 0.000 2.788 95 T HA -0.151 4.209 4.350 0.018 0.000 0.268 95 T C 1.774 176.455 174.700 -0.032 0.000 1.044 95 T CA 1.597 63.685 62.100 -0.020 0.000 1.139 95 T CB -0.290 68.573 68.868 -0.008 0.000 0.867 95 T HN 0.301 nan 8.240 nan 0.000 0.454 96 L N 0.116 121.314 121.223 -0.042 0.000 2.353 96 L HA 0.152 4.502 4.340 0.018 0.000 0.220 96 L C 1.856 178.698 176.870 -0.047 0.000 1.133 96 L CA 1.375 56.182 54.840 -0.055 0.000 0.798 96 L CB -1.255 40.764 42.059 -0.065 0.000 0.922 96 L HN 0.163 nan 8.230 nan 0.000 0.445 97 L N 0.319 121.514 121.223 -0.047 0.000 2.456 97 L HA 0.024 4.374 4.340 0.018 0.000 0.224 97 L C 2.384 179.219 176.870 -0.057 0.000 1.148 97 L CA 0.665 55.475 54.840 -0.050 0.000 0.825 97 L CB -0.625 41.367 42.059 -0.112 0.000 0.937 97 L HN 0.477 nan 8.230 nan 0.000 0.450 98 A N -0.462 122.326 122.820 -0.054 0.000 2.337 98 A HA 0.017 4.348 4.320 0.018 0.000 0.227 98 A C 0.756 178.299 177.584 -0.069 0.000 1.259 98 A CA -0.242 51.763 52.037 -0.054 0.000 0.870 98 A CB -0.404 18.575 19.000 -0.035 0.000 0.927 98 A HN 0.257 nan 8.150 nan 0.000 0.497 99 E N 2.385 122.549 120.200 -0.059 0.000 2.498 99 E HA 0.121 4.481 4.350 0.018 0.000 0.252 99 E C -2.260 174.298 176.600 -0.070 0.000 1.025 99 E CA -1.767 54.581 56.400 -0.087 0.000 0.938 99 E CB 0.429 30.092 29.700 -0.060 0.000 0.947 99 E HN 0.298 nan 8.360 nan 0.000 0.478 100 P HA 0.027 nan 4.420 nan 0.000 0.274 100 P C -0.680 176.607 177.300 -0.021 0.000 1.246 100 P CA -0.003 62.940 63.100 -0.261 0.000 0.795 100 P CB 0.258 31.504 31.700 -0.756 0.000 1.006 101 H N -1.395 117.659 119.070 -0.026 0.000 2.655 101 H HA -0.192 4.374 4.556 0.017 0.000 0.313 101 H C 0.610 176.047 175.328 0.182 0.000 1.141 101 H CA 0.160 56.195 56.048 -0.022 0.000 1.138 101 H CB -1.356 28.299 29.762 -0.178 0.000 1.446 101 H HN 0.611 nan 8.280 nan 0.000 0.415 102 A N -0.018 123.015 122.820 0.354 0.000 2.364 102 A HA 0.360 4.691 4.320 0.018 0.000 0.193 102 A C 0.814 178.665 177.584 0.445 0.000 1.530 102 A CA 0.056 52.393 52.037 0.500 0.000 1.613 102 A CB -0.401 18.842 19.000 0.405 0.000 1.767 102 A HN 0.126 nan 8.150 nan 0.000 0.657 103 F N 1.200 121.304 119.950 0.256 0.000 2.147 103 F HA 0.236 4.771 4.527 0.013 0.000 0.291 103 F C 1.049 176.960 175.800 0.185 0.000 1.093 103 F CA 1.063 59.188 58.000 0.209 0.000 1.263 103 F CB -0.226 38.885 39.000 0.186 0.000 1.036 103 F HN 0.373 nan 8.300 nan 0.000 0.481 104 E N 1.261 121.640 120.200 0.298 0.000 2.442 104 E HA 0.024 4.385 4.350 0.018 0.000 0.262 104 E C -1.136 175.532 176.600 0.112 0.000 1.004 104 E CA 0.361 56.793 56.400 0.053 0.000 0.928 104 E CB 0.268 29.950 29.700 -0.031 0.000 0.937 104 E HN 0.587 nan 8.360 nan 0.000 0.446 105 H N 0.249 119.352 119.070 0.056 0.000 3.008 105 H HA 0.417 4.983 4.556 0.017 0.000 0.354 105 H C -0.757 174.520 175.328 -0.085 0.000 1.252 105 H CA -1.003 55.040 56.048 -0.008 0.000 1.117 105 H CB 0.442 30.159 29.762 -0.075 0.000 1.857 105 H HN 0.196 nan 8.280 nan 0.000 0.547 106 D N 0.075 120.503 120.400 0.046 0.000 2.384 106 D HA 0.074 4.724 4.640 0.018 0.000 0.244 106 D C 0.272 176.452 176.300 -0.201 0.000 1.251 106 D CA 1.017 55.035 54.000 0.031 0.000 0.961 106 D CB -0.114 40.715 40.800 0.049 0.000 1.116 106 D HN 1.071 nan 8.370 nan 0.000 0.484 107 H N -2.926 116.311 119.070 0.280 0.000 2.655 107 H HA -0.158 4.409 4.556 0.018 0.000 0.313 107 H C -0.595 174.790 175.328 0.095 0.000 1.141 107 H CA 0.594 56.781 56.048 0.231 0.000 1.138 107 H CB -2.347 27.599 29.762 0.307 0.000 1.446 107 H HN 0.026 nan 8.280 nan 0.000 0.415 108 S N -0.556 115.162 115.700 0.030 0.000 2.584 108 S HA 0.191 4.671 4.470 0.018 0.000 0.270 108 S C 1.136 175.771 174.600 0.057 0.000 1.346 108 S CA -0.096 58.093 58.200 -0.018 0.000 1.018 108 S CB 0.194 63.367 63.200 -0.045 0.000 0.899 108 S HN 0.366 nan 8.310 nan 0.000 0.542 109 F N 1.112 121.273 119.950 0.353 0.000 2.325 109 F HA 0.002 4.538 4.527 0.016 0.000 0.299 109 F C 2.271 178.302 175.800 0.384 0.000 1.090 109 F CA 0.942 59.201 58.000 0.432 0.000 1.392 109 F CB -0.122 39.271 39.000 0.655 0.000 1.053 109 F HN 0.624 nan 8.300 nan 0.000 0.521 110 S N -2.299 113.651 115.700 0.417 0.000 2.893 110 S HA 0.407 4.887 4.470 0.018 0.000 0.258 110 S C 0.191 174.721 174.600 -0.115 0.000 1.034 110 S CA -0.617 57.683 58.200 0.166 0.000 1.167 110 S CB 0.323 63.602 63.200 0.132 0.000 1.137 110 S HN -0.011 nan 8.310 nan 0.000 0.650 111 R N 1.770 122.246 120.500 -0.040 0.000 2.740 111 R HA 0.605 4.956 4.340 0.018 0.000 0.282 111 R C -0.720 175.554 176.300 -0.044 0.000 0.969 111 R CA -0.549 55.493 56.100 -0.096 0.000 0.918 111 R CB 1.053 31.302 30.300 -0.084 0.000 1.175 111 R HN 0.165 nan 8.270 nan 0.000 0.464 112 K N 0.958 121.324 120.400 -0.056 0.000 2.180 112 K HA 0.145 4.475 4.320 0.018 0.000 0.251 112 K C -0.457 176.161 176.600 0.029 0.000 1.014 112 K CA -0.382 55.898 56.287 -0.012 0.000 0.913 112 K CB 0.452 32.929 32.500 -0.038 0.000 1.008 112 K HN 0.453 nan 8.250 nan 0.000 0.490 113 D N 0.463 120.910 120.400 0.079 0.000 2.313 113 D HA -0.019 4.631 4.640 0.018 0.000 0.247 113 D C 0.777 177.105 176.300 0.047 0.000 1.094 113 D CA -0.055 54.029 54.000 0.141 0.000 0.925 113 D CB 0.423 41.397 40.800 0.291 0.000 1.188 113 D HN 0.429 nan 8.370 nan 0.000 0.430 114 Y N 1.272 121.489 120.300 -0.139 0.000 2.151 114 Y HA -0.209 4.352 4.550 0.018 0.000 0.284 114 Y C 1.219 176.791 175.900 -0.546 0.000 1.166 114 Y CA 1.723 59.605 58.100 -0.362 0.000 1.163 114 Y CB 0.291 38.438 38.460 -0.521 0.000 0.974 114 Y HN 0.218 nan 8.280 nan 0.000 0.511 115 K N 0.695 120.634 120.400 -0.769 0.000 2.726 115 K HA 0.082 4.413 4.320 0.018 0.000 0.209 115 K C -0.280 176.210 176.600 -0.183 0.000 1.082 115 K CA -0.195 55.727 56.287 -0.609 0.000 1.081 115 K CB 0.439 32.444 32.500 -0.824 0.000 0.830 115 K HN 0.262 nan 8.250 nan 0.000 0.470 116 Q N 0.493 120.234 119.800 -0.098 0.000 2.286 116 Q HA 0.083 4.434 4.340 0.018 0.000 0.267 116 Q C 0.663 176.661 176.000 -0.004 0.000 1.028 116 Q CA 0.711 56.525 55.803 0.019 0.000 0.901 116 Q CB 0.450 29.209 28.738 0.037 0.000 1.183 116 Q HN 0.583 nan 8.270 nan 0.000 0.392 117 G N 2.636 111.460 108.800 0.040 0.000 2.179 117 G HA2 -0.272 3.698 3.960 0.018 0.000 0.257 117 G HA3 -0.272 3.698 3.960 0.018 0.000 0.257 117 G C 0.051 174.965 174.900 0.024 0.000 1.010 117 G CA 0.338 45.455 45.100 0.027 0.000 0.736 117 G HN 0.897 nan 8.290 nan 0.000 0.513 118 V N -2.734 117.207 119.914 0.047 0.000 2.607 118 V HA 0.823 4.954 4.120 0.018 0.000 0.289 118 V C 1.344 177.516 176.094 0.131 0.000 1.053 118 V CA 0.373 62.678 62.300 0.008 0.000 0.996 118 V CB 1.193 32.944 31.823 -0.120 0.000 0.995 118 V HN 1.185 nan 8.190 nan 0.000 0.476 119 A N 3.677 126.533 122.820 0.060 0.000 1.970 119 A HA 0.172 4.503 4.320 0.018 0.000 0.216 119 A C 0.945 178.631 177.584 0.171 0.000 1.170 119 A CA 0.814 52.919 52.037 0.112 0.000 0.645 119 A CB -0.710 18.314 19.000 0.040 0.000 0.816 119 A HN 0.928 nan 8.150 nan 0.000 0.447 120 N N -1.410 117.290 118.700 0.001 0.000 2.269 120 N HA 0.326 5.076 4.740 0.018 0.000 0.304 120 N C 0.899 176.086 175.510 -0.538 0.000 1.072 120 N CA 0.316 53.295 53.050 -0.119 0.000 0.802 120 N CB 1.868 40.298 38.487 -0.094 0.000 1.348 120 N HN 0.146 nan 8.380 nan 0.000 0.484 121 S N 1.344 116.573 115.700 -0.785 0.000 2.400 121 S HA -0.203 4.278 4.470 0.018 0.000 0.232 121 S C 0.961 175.252 174.600 -0.515 0.000 1.025 121 S CA 1.219 58.723 58.200 -1.160 0.000 0.993 121 S CB -0.402 62.480 63.200 -0.530 0.000 0.808 121 S HN 0.607 nan 8.310 nan 0.000 0.478 122 N N 1.435 119.974 118.700 -0.269 0.000 2.494 122 N HA 0.049 4.800 4.740 0.018 0.000 0.182 122 N C -0.574 174.879 175.510 -0.095 0.000 1.076 122 N CA 0.245 53.231 53.050 -0.108 0.000 0.908 122 N CB 0.019 38.483 38.487 -0.039 0.000 0.967 122 N HN 0.439 nan 8.380 nan 0.000 0.449 123 D N 0.455 120.722 120.400 -0.221 0.000 2.362 123 D HA 0.154 4.804 4.640 0.018 0.000 0.242 123 D C -0.212 175.916 176.300 -0.286 0.000 1.132 123 D CA 0.357 54.199 54.000 -0.263 0.000 0.907 123 D CB 0.656 41.288 40.800 -0.279 0.000 1.195 123 D HN 0.079 nan 8.370 nan 0.000 0.429 124 F N -1.077 118.568 119.950 -0.509 0.000 2.662 124 F HA 0.661 5.198 4.527 0.018 0.000 0.312 124 F C -0.799 174.675 175.800 -0.544 0.000 1.113 124 F CA -1.180 56.335 58.000 -0.808 0.000 0.951 124 F CB 0.880 38.968 39.000 -1.521 0.000 1.344 124 F HN 0.278 nan 8.300 nan 0.000 0.462 125 I N -1.960 118.393 120.570 -0.361 0.000 3.457 125 I HA 0.580 4.760 4.170 0.018 0.000 0.307 125 I C -1.190 174.892 176.117 -0.058 0.000 1.138 125 I CA -1.005 60.156 61.300 -0.231 0.000 0.974 125 I CB 1.762 39.646 38.000 -0.193 0.000 1.324 125 I HN 0.586 nan 8.210 nan 0.000 0.485 126 D N 2.683 123.056 120.400 -0.045 0.000 2.348 126 D HA 0.054 4.705 4.640 0.018 0.000 0.259 126 D C 0.106 176.410 176.300 0.007 0.000 1.296 126 D CA 0.024 54.030 54.000 0.010 0.000 0.931 126 D CB 0.143 40.932 40.800 -0.017 0.000 1.067 126 D HN 0.652 nan 8.370 nan 0.000 0.503 127 N N 3.355 122.092 118.700 0.062 0.000 2.276 127 N HA -0.007 4.744 4.740 0.018 0.000 0.212 127 N C 0.986 176.494 175.510 -0.003 0.000 1.127 127 N CA -0.143 52.932 53.050 0.041 0.000 0.834 127 N CB 0.363 38.918 38.487 0.114 0.000 1.014 127 N HN 0.406 nan 8.380 nan 0.000 0.491 128 R N -0.078 120.419 120.500 -0.006 0.000 2.197 128 R HA 0.224 4.575 4.340 0.018 0.000 0.188 128 R C -0.299 175.977 176.300 -0.040 0.000 1.015 128 R CA -0.157 55.930 56.100 -0.023 0.000 1.132 128 R CB 0.151 30.455 30.300 0.006 0.000 1.134 128 R HN 0.015 nan 8.270 nan 0.000 0.560 129 N N 1.237 119.921 118.700 -0.026 0.000 2.508 129 N HA -0.038 4.713 4.740 0.018 0.000 0.264 129 N C -0.776 174.643 175.510 -0.152 0.000 1.216 129 N CA -0.019 53.014 53.050 -0.029 0.000 0.943 129 N CB 0.385 38.898 38.487 0.043 0.000 1.113 129 N HN 0.039 nan 8.380 nan 0.000 0.447 130 F N 1.253 120.936 119.950 -0.444 0.000 2.623 130 F HA -0.106 4.431 4.527 0.017 0.000 0.386 130 F C 0.456 175.929 175.800 -0.545 0.000 1.068 130 F CA 0.135 57.751 58.000 -0.640 0.000 1.265 130 F CB 0.228 38.579 39.000 -1.083 0.000 1.026 130 F HN 0.399 nan 8.300 nan 0.000 0.568 131 D N 5.144 124.851 120.400 -1.155 0.000 2.462 131 D HA 0.476 5.126 4.640 0.018 0.000 0.245 131 D C 0.550 176.258 176.300 -0.988 0.000 1.122 131 D CA 0.046 53.576 54.000 -0.784 0.000 0.864 131 D CB 1.545 42.107 40.800 -0.397 0.000 1.098 131 D HN 0.644 nan 8.370 nan 0.000 0.541 132 A N 3.882 126.267 122.820 -0.725 0.000 1.940 132 A HA -0.202 4.129 4.320 0.018 0.000 0.219 132 A C 1.917 179.403 177.584 -0.164 0.000 1.176 132 A CA 1.186 53.021 52.037 -0.336 0.000 0.631 132 A CB -0.413 18.603 19.000 0.026 0.000 0.814 132 A HN 0.674 nan 8.150 nan 0.000 0.446 133 E N -0.216 119.891 120.200 -0.155 0.000 2.077 133 E HA -0.157 4.203 4.350 0.018 0.000 0.193 133 E C 2.004 178.557 176.600 -0.078 0.000 0.989 133 E CA 1.852 58.198 56.400 -0.090 0.000 0.800 133 E CB -0.389 29.265 29.700 -0.075 0.000 0.746 133 E HN 0.534 nan 8.360 nan 0.000 0.452 134 T N 1.008 115.498 114.554 -0.107 0.000 2.746 134 T HA -0.142 4.219 4.350 0.018 0.000 0.267 134 T C 1.493 176.221 174.700 0.047 0.000 1.039 134 T CA 1.245 63.323 62.100 -0.037 0.000 1.142 134 T CB -0.477 68.359 68.868 -0.054 0.000 0.866 134 T HN 0.162 nan 8.240 nan 0.000 0.444 135 F N 2.051 121.877 119.950 -0.207 0.000 2.171 135 F HA -0.040 4.498 4.527 0.019 0.000 0.300 135 F C 2.450 178.181 175.800 -0.115 0.000 1.090 135 F CA 0.951 58.869 58.000 -0.137 0.000 1.293 135 F CB -0.638 38.285 39.000 -0.129 0.000 1.013 135 F HN 0.030 nan 8.300 nan 0.000 0.486 136 Q N 0.160 119.894 119.800 -0.109 0.000 2.170 136 Q HA -0.152 4.198 4.340 0.018 0.000 0.203 136 Q C 2.300 178.211 176.000 -0.149 0.000 0.976 136 Q CA 2.311 58.006 55.803 -0.179 0.000 0.858 136 Q CB -0.738 27.945 28.738 -0.091 0.000 0.907 136 Q HN 0.525 nan 8.270 nan 0.000 0.433 137 T N -3.304 111.206 114.554 -0.073 0.000 2.867 137 T HA -0.045 4.315 4.350 0.018 0.000 0.268 137 T C 1.974 176.660 174.700 -0.023 0.000 1.057 137 T CA 1.415 63.496 62.100 -0.031 0.000 1.136 137 T CB -0.321 68.553 68.868 0.010 0.000 0.874 137 T HN 0.138 nan 8.240 nan 0.000 0.466 138 S N 1.440 117.121 115.700 -0.031 0.000 2.357 138 S HA 0.214 4.695 4.470 0.018 0.000 0.221 138 S C 1.946 176.450 174.600 -0.160 0.000 1.031 138 S CA 0.917 59.122 58.200 0.009 0.000 0.982 138 S CB -0.471 62.819 63.200 0.150 0.000 0.853 138 S HN 0.423 nan 8.310 nan 0.000 0.458 139 L N 1.461 122.443 121.223 -0.402 0.000 2.131 139 L HA -0.126 4.224 4.340 0.018 0.000 0.210 139 L C 1.921 178.678 176.870 -0.189 0.000 1.092 139 L CA 0.911 55.521 54.840 -0.382 0.000 0.759 139 L CB -0.592 41.134 42.059 -0.556 0.000 0.903 139 L HN 0.177 nan 8.230 nan 0.000 0.435 140 D N -0.340 119.970 120.400 -0.149 0.000 2.218 140 D HA -0.135 4.516 4.640 0.018 0.000 0.204 140 D C 2.281 178.544 176.300 -0.062 0.000 0.976 140 D CA 0.926 54.874 54.000 -0.087 0.000 0.853 140 D CB -0.022 40.738 40.800 -0.066 0.000 0.939 140 D HN 0.101 nan 8.370 nan 0.000 0.481 141 V N 0.556 120.431 119.914 -0.065 0.000 2.594 141 V HA -0.151 3.980 4.120 0.018 0.000 0.253 141 V C 1.900 177.957 176.094 -0.061 0.000 1.069 141 V CA 1.406 63.675 62.300 -0.051 0.000 1.082 141 V CB -0.294 31.502 31.823 -0.046 0.000 0.680 141 V HN 0.194 nan 8.190 nan 0.000 0.469 142 V N -2.074 117.793 119.914 -0.080 0.000 2.982 142 V HA 0.702 4.833 4.120 0.018 0.000 0.368 142 V C 0.635 176.725 176.094 -0.007 0.000 1.350 142 V CA -0.552 61.724 62.300 -0.040 0.000 1.251 142 V CB -0.405 31.381 31.823 -0.062 0.000 1.284 142 V HN 0.218 nan 8.190 nan 0.000 0.533 143 A N 0.800 123.605 122.820 -0.023 0.000 2.531 143 A HA 0.486 4.816 4.320 0.018 0.000 0.236 143 A C 1.710 179.295 177.584 0.002 0.000 1.062 143 A CA 0.963 52.988 52.037 -0.019 0.000 0.760 143 A CB -0.556 18.429 19.000 -0.025 0.000 0.995 143 A HN 2.150 nan 8.150 nan 0.000 0.501 144 G N 1.218 110.021 108.800 0.005 0.000 2.162 144 G HA2 -0.240 3.730 3.960 0.018 0.000 0.260 144 G HA3 -0.240 3.730 3.960 0.018 0.000 0.260 144 G C 0.175 175.093 174.900 0.029 0.000 0.976 144 G CA 0.989 46.098 45.100 0.015 0.000 0.655 144 G HN 0.894 nan 8.290 nan 0.000 0.533 145 K N -0.524 119.901 120.400 0.042 0.000 2.208 145 K HA 0.627 4.957 4.320 0.018 0.000 0.247 145 K C 1.511 178.150 176.600 0.065 0.000 0.953 145 K CA -0.093 56.236 56.287 0.069 0.000 0.837 145 K CB 1.422 33.984 32.500 0.103 0.000 1.131 145 K HN 0.173 nan 8.250 nan 0.000 0.431 146 T N -2.430 112.171 114.554 0.078 0.000 3.040 146 T HA 0.103 4.464 4.350 0.018 0.000 0.252 146 T C 0.286 174.895 174.700 -0.152 0.000 1.064 146 T CA 0.494 62.594 62.100 0.001 0.000 1.110 146 T CB -0.080 68.824 68.868 0.060 0.000 0.921 146 T HN 0.509 nan 8.240 nan 0.000 0.480 147 H N 0.361 119.409 119.070 -0.037 0.000 2.865 147 H HA 0.657 5.223 4.556 0.017 0.000 0.372 147 H C -1.176 174.177 175.328 0.041 0.000 1.173 147 H CA -1.393 54.593 56.048 -0.103 0.000 1.147 147 H CB 1.613 31.282 29.762 -0.155 0.000 1.805 147 H HN 0.361 nan 8.280 nan 0.000 0.553 148 F N -0.794 119.176 119.950 0.033 0.000 2.613 148 F HA 0.575 5.113 4.527 0.017 0.000 0.310 148 F C -1.129 174.704 175.800 0.056 0.000 1.085 148 F CA -1.167 56.849 58.000 0.027 0.000 0.945 148 F CB 1.179 40.183 39.000 0.008 0.000 1.298 148 F HN 0.521 nan 8.300 nan 0.000 0.455 149 D N 0.496 121.112 120.400 0.360 0.000 2.588 149 D HA 0.253 4.904 4.640 0.018 0.000 0.268 149 D C 0.685 177.262 176.300 0.461 0.000 1.176 149 D CA -0.383 53.773 54.000 0.259 0.000 1.080 149 D CB 0.060 40.914 40.800 0.089 0.000 1.186 149 D HN 0.485 nan 8.370 nan 0.000 0.619 150 Y N -0.251 120.177 120.300 0.213 0.000 2.128 150 Y HA -0.054 4.506 4.550 0.017 0.000 0.284 150 Y C 2.681 178.661 175.900 0.133 0.000 1.154 150 Y CA 1.680 59.813 58.100 0.056 0.000 1.149 150 Y CB -1.248 37.121 38.460 -0.151 0.000 0.976 150 Y HN 0.542 nan 8.280 nan 0.000 0.505 151 A N 0.025 123.009 122.820 0.272 0.000 1.933 151 A HA -0.181 4.150 4.320 0.018 0.000 0.218 151 A C 1.996 179.680 177.584 0.167 0.000 1.175 151 A CA 1.927 54.069 52.037 0.175 0.000 0.628 151 A CB -0.672 18.401 19.000 0.123 0.000 0.814 151 A HN 0.397 nan 8.150 nan 0.000 0.444 152 D N -0.796 119.726 120.400 0.204 0.000 2.097 152 D HA -0.162 4.489 4.640 0.018 0.000 0.195 152 D C 1.824 178.158 176.300 0.057 0.000 0.989 152 D CA 1.783 55.854 54.000 0.119 0.000 0.827 152 D CB -0.384 40.506 40.800 0.151 0.000 0.966 152 D HN 0.430 nan 8.370 nan 0.000 0.456 153 M N 1.315 121.059 119.600 0.240 0.000 2.149 153 M HA -0.161 4.330 4.480 0.018 0.000 0.261 153 M C 1.513 177.951 176.300 0.230 0.000 1.064 153 M CA 1.295 56.736 55.300 0.236 0.000 1.102 153 M CB -0.444 32.523 32.600 0.612 0.000 1.369 153 M HN -0.165 nan 8.290 nan 0.000 0.408 154 N N 0.148 118.971 118.700 0.206 0.000 2.120 154 N HA -0.165 4.586 4.740 0.018 0.000 0.188 154 N C 1.507 177.088 175.510 0.117 0.000 1.024 154 N CA 1.607 54.747 53.050 0.150 0.000 0.852 154 N CB -0.157 38.395 38.487 0.107 0.000 1.003 154 N HN 0.436 nan 8.380 nan 0.000 0.424 155 E N 0.239 120.493 120.200 0.091 0.000 2.110 155 E HA -0.114 4.246 4.350 0.018 0.000 0.193 155 E C 2.176 178.821 176.600 0.074 0.000 0.988 155 E CA 0.632 57.068 56.400 0.061 0.000 0.804 155 E CB -0.198 29.523 29.700 0.036 0.000 0.745 155 E HN 0.518 nan 8.360 nan 0.000 0.458 156 I N 1.341 121.964 120.570 0.088 0.000 2.127 156 I HA -0.328 3.852 4.170 0.018 0.000 0.241 156 I C 2.636 178.917 176.117 0.273 0.000 1.075 156 I CA 1.797 63.195 61.300 0.164 0.000 1.334 156 I CB -0.335 37.760 38.000 0.158 0.000 1.040 156 I HN 0.081 nan 8.210 nan 0.000 0.405 157 R N 1.642 122.342 120.500 0.333 0.000 2.120 157 R HA -0.102 4.248 4.340 0.018 0.000 0.234 157 R C 1.939 178.297 176.300 0.097 0.000 1.123 157 R CA 1.458 57.704 56.100 0.244 0.000 0.975 157 R CB -1.171 29.282 30.300 0.255 0.000 0.866 157 R HN 0.306 nan 8.270 nan 0.000 0.446 158 L N 0.248 121.519 121.223 0.080 0.000 2.056 158 L HA -0.107 4.243 4.340 0.018 0.000 0.207 158 L C 2.823 179.705 176.870 0.020 0.000 1.078 158 L CA 1.599 56.453 54.840 0.024 0.000 0.749 158 L CB -0.518 41.554 42.059 0.021 0.000 0.901 158 L HN 0.298 nan 8.230 nan 0.000 0.433 159 Q N -0.015 119.814 119.800 0.048 0.000 2.084 159 Q HA -0.192 4.158 4.340 0.018 0.000 0.202 159 Q C 2.355 178.388 176.000 0.055 0.000 0.978 159 Q CA 1.530 57.358 55.803 0.042 0.000 0.844 159 Q CB 0.054 28.823 28.738 0.051 0.000 0.898 159 Q HN 0.186 nan 8.270 nan 0.000 0.426 160 R N 0.379 120.938 120.500 0.098 0.000 2.092 160 R HA -0.094 4.256 4.340 0.018 0.000 0.231 160 R C 2.107 178.488 176.300 0.135 0.000 1.119 160 R CA 1.577 57.754 56.100 0.129 0.000 0.970 160 R CB -0.465 29.927 30.300 0.154 0.000 0.864 160 R HN 0.537 nan 8.270 nan 0.000 0.440 161 E N 0.389 120.620 120.200 0.051 0.000 2.077 161 E HA -0.146 4.215 4.350 0.018 0.000 0.193 161 E C 1.972 178.503 176.600 -0.115 0.000 0.989 161 E CA 1.441 57.839 56.400 -0.003 0.000 0.800 161 E CB -0.099 29.513 29.700 -0.148 0.000 0.746 161 E HN 0.193 nan 8.360 nan 0.000 0.452 162 S N 0.747 116.392 115.700 -0.091 0.000 2.356 162 S HA -0.125 4.355 4.470 0.018 0.000 0.223 162 S C 2.080 176.609 174.600 -0.119 0.000 1.032 162 S CA 0.786 58.911 58.200 -0.126 0.000 1.005 162 S CB -0.214 62.945 63.200 -0.068 0.000 0.867 162 S HN 0.157 nan 8.310 nan 0.000 0.449 163 L N 1.026 122.223 121.223 -0.043 0.000 2.012 163 L HA -0.088 4.262 4.340 0.018 0.000 0.210 163 L C 2.886 179.750 176.870 -0.009 0.000 1.073 163 L CA 1.563 56.394 54.840 -0.015 0.000 0.748 163 L CB -0.624 41.450 42.059 0.025 0.000 0.891 163 L HN 0.324 nan 8.230 nan 0.000 0.431 164 S N -0.329 115.394 115.700 0.040 0.000 2.368 164 S HA -0.181 4.300 4.470 0.018 0.000 0.225 164 S C 1.762 176.320 174.600 -0.069 0.000 1.030 164 S CA 1.468 59.755 58.200 0.145 0.000 0.999 164 S CB -0.381 63.097 63.200 0.463 0.000 0.844 164 S HN 0.410 nan 8.310 nan 0.000 0.459 165 N N 1.297 119.636 118.700 -0.602 0.000 2.223 165 N HA -0.093 4.658 4.740 0.018 0.000 0.185 165 N C 1.523 176.861 175.510 -0.286 0.000 1.016 165 N CA 1.187 53.724 53.050 -0.855 0.000 0.863 165 N CB -0.114 37.736 38.487 -1.062 0.000 0.983 165 N HN 0.512 nan 8.380 nan 0.000 0.429 166 E N -0.663 119.428 120.200 -0.182 0.000 2.112 166 E HA -0.005 4.356 4.350 0.018 0.000 0.190 166 E C 1.609 178.187 176.600 -0.037 0.000 0.979 166 E CA 0.589 56.934 56.400 -0.092 0.000 0.814 166 E CB 0.128 29.783 29.700 -0.075 0.000 0.762 166 E HN 0.375 nan 8.360 nan 0.000 0.460 167 L N 0.752 121.974 121.223 -0.001 0.000 2.408 167 L HA 0.069 4.420 4.340 0.018 0.000 0.215 167 L C 0.276 177.198 176.870 0.086 0.000 1.081 167 L CA -0.079 54.782 54.840 0.035 0.000 0.840 167 L CB 0.190 42.273 42.059 0.039 0.000 1.002 167 L HN -0.066 nan 8.230 nan 0.000 0.468 168 D N 0.370 120.863 120.400 0.156 0.000 2.372 168 D HA 0.049 4.700 4.640 0.018 0.000 0.243 168 D C -0.246 176.205 176.300 0.252 0.000 1.121 168 D CA -0.208 53.953 54.000 0.269 0.000 0.898 168 D CB 0.655 41.757 40.800 0.503 0.000 1.202 168 D HN -0.195 nan 8.370 nan 0.000 0.428 169 F N 2.497 122.530 119.950 0.139 0.000 2.635 169 F HA 0.066 4.603 4.527 0.017 0.000 0.379 169 F C -1.742 174.186 175.800 0.215 0.000 1.094 169 F CA -1.135 56.944 58.000 0.132 0.000 1.300 169 F CB 0.271 39.317 39.000 0.078 0.000 1.035 169 F HN 0.168 nan 8.300 nan 0.000 0.581 170 P HA 0.140 nan 4.420 nan 0.000 0.262 170 P C 0.435 177.840 177.300 0.175 0.000 1.182 170 P CA 1.595 64.618 63.100 -0.128 0.000 0.761 170 P CB 0.441 31.953 31.700 -0.313 0.000 0.795 171 G N 2.492 111.434 108.800 0.237 0.000 2.234 171 G HA2 -0.265 3.706 3.960 0.018 0.000 0.235 171 G HA3 -0.265 3.706 3.960 0.018 0.000 0.235 171 G C 1.023 176.145 174.900 0.369 0.000 0.997 171 G CA 0.124 45.392 45.100 0.278 0.000 0.623 171 G HN 0.567 nan 8.290 nan 0.000 0.514 172 W N 1.078 122.572 121.300 0.323 0.000 2.407 172 W HA 0.311 4.981 4.660 0.017 0.000 0.305 172 W C 1.076 177.826 176.519 0.385 0.000 1.196 172 W CA 0.876 58.434 57.345 0.356 0.000 1.311 172 W CB -0.289 29.365 29.460 0.324 0.000 1.135 172 W HN 0.229 nan 8.180 nan 0.000 0.514 173 F N 3.353 123.442 119.950 0.232 0.000 2.623 173 F HA 0.070 4.608 4.527 0.018 0.000 0.383 173 F C -0.397 175.376 175.800 -0.043 0.000 1.077 173 F CA 1.407 59.486 58.000 0.132 0.000 1.268 173 F CB 0.700 39.811 39.000 0.185 0.000 1.053 173 F HN -0.370 nan 8.300 nan 0.000 0.571 174 T N 6.386 120.421 114.554 -0.864 0.000 2.937 174 T HA 0.129 4.490 4.350 0.018 0.000 0.297 174 T C -0.785 173.418 174.700 -0.827 0.000 0.991 174 T CA -0.723 60.928 62.100 -0.748 0.000 0.990 174 T CB 1.144 69.483 68.868 -0.883 0.000 0.991 174 T HN 0.661 nan 8.240 nan 0.000 0.440 175 E N 1.756 121.624 120.200 -0.554 0.000 2.360 175 E HA 0.272 4.633 4.350 0.018 0.000 0.269 175 E C -0.567 175.997 176.600 -0.060 0.000 1.022 175 E CA -0.056 56.220 56.400 -0.208 0.000 0.887 175 E CB 0.467 30.148 29.700 -0.031 0.000 0.990 175 E HN 0.490 nan 8.360 nan 0.000 0.426 176 S N 4.038 119.852 115.700 0.190 0.000 2.128 176 S HA 0.148 4.629 4.470 0.018 0.000 0.157 176 S C 0.345 174.916 174.600 -0.049 0.000 1.650 176 S CA -0.592 57.563 58.200 -0.075 0.000 1.269 176 S CB 0.676 63.703 63.200 -0.289 0.000 1.227 176 S HN 0.461 nan 8.310 nan 0.000 0.405 177 K N 1.838 122.233 120.400 -0.008 0.000 2.057 177 K HA -0.046 4.285 4.320 0.018 0.000 0.206 177 K C -1.092 175.478 176.600 -0.050 0.000 1.050 177 K CA 1.304 57.584 56.287 -0.012 0.000 0.935 177 K CB -0.765 31.722 32.500 -0.022 0.000 0.715 177 K HN 0.316 nan 8.250 nan 0.000 0.439 178 P HA -0.140 nan 4.420 nan 0.000 0.215 178 P C 1.192 178.441 177.300 -0.084 0.000 1.157 178 P CA 1.220 64.275 63.100 -0.075 0.000 0.863 178 P CB 0.065 31.717 31.700 -0.080 0.000 0.787 179 I N -0.866 119.634 120.570 -0.116 0.000 2.202 179 I HA -0.248 3.932 4.170 0.018 0.000 0.242 179 I C 2.760 178.830 176.117 -0.078 0.000 1.091 179 I CA 1.386 62.641 61.300 -0.074 0.000 1.368 179 I CB -0.710 37.285 38.000 -0.008 0.000 1.058 179 I HN -0.037 nan 8.210 nan 0.000 0.410 180 Q N 1.249 120.886 119.800 -0.270 0.000 2.112 180 Q HA -0.233 4.117 4.340 0.018 0.000 0.206 180 Q C 1.744 177.813 176.000 0.114 0.000 0.987 180 Q CA 1.863 57.616 55.803 -0.084 0.000 0.858 180 Q CB 0.003 28.672 28.738 -0.113 0.000 0.905 180 Q HN 0.485 nan 8.270 nan 0.000 0.420 181 N N -0.529 118.203 118.700 0.054 0.000 2.463 181 N HA -0.045 4.705 4.740 0.018 0.000 0.181 181 N C 1.566 177.088 175.510 0.020 0.000 1.078 181 N CA 0.589 53.695 53.050 0.094 0.000 0.902 181 N CB 0.403 38.931 38.487 0.068 0.000 0.970 181 N HN 0.119 nan 8.380 nan 0.000 0.451 182 V N 1.727 121.593 119.914 -0.079 0.000 2.343 182 V HA -0.206 3.925 4.120 0.018 0.000 0.247 182 V C 2.001 177.806 176.094 -0.482 0.000 1.051 182 V CA 1.650 63.782 62.300 -0.281 0.000 1.036 182 V CB -0.358 31.268 31.823 -0.329 0.000 0.654 182 V HN 0.251 nan 8.190 nan 0.000 0.451 183 E N -0.022 120.062 120.200 -0.193 0.000 2.106 183 E HA -0.149 4.212 4.350 0.018 0.000 0.192 183 E C 2.387 179.224 176.600 0.394 0.000 0.984 183 E CA 1.377 57.850 56.400 0.122 0.000 0.806 183 E CB -0.204 29.766 29.700 0.449 0.000 0.750 183 E HN 0.519 nan 8.360 nan 0.000 0.458 184 S N 0.358 116.306 115.700 0.412 0.000 2.359 184 S HA -0.192 4.289 4.470 0.018 0.000 0.223 184 S C 2.110 177.001 174.600 0.485 0.000 1.039 184 S CA 1.252 59.717 58.200 0.442 0.000 1.042 184 S CB -0.731 62.732 63.200 0.439 0.000 0.915 184 S HN 0.519 nan 8.310 nan 0.000 0.439 185 G N 0.896 109.897 108.800 0.335 0.000 2.422 185 G HA2 -0.161 3.809 3.960 0.018 0.000 0.218 185 G HA3 -0.161 3.809 3.960 0.018 0.000 0.218 185 G C 1.086 176.351 174.900 0.608 0.000 1.146 185 G CA 0.610 45.943 45.100 0.387 0.000 0.769 185 G HN 0.403 nan 8.290 nan 0.000 0.547 186 F N 1.043 121.248 119.950 0.425 0.000 2.134 186 F HA 0.046 4.585 4.527 0.020 0.000 0.299 186 F C 2.672 178.745 175.800 0.456 0.000 1.097 186 F CA -0.041 58.213 58.000 0.424 0.000 1.264 186 F CB -0.881 38.391 39.000 0.452 0.000 1.001 186 F HN 0.094 nan 8.300 nan 0.000 0.479 187 I N -1.238 119.713 120.570 0.636 0.000 2.163 187 I HA -0.344 3.836 4.170 0.018 0.000 0.243 187 I C 2.372 178.595 176.117 0.176 0.000 1.085 187 I CA 1.449 62.968 61.300 0.364 0.000 1.347 187 I CB -0.675 37.254 38.000 -0.118 0.000 1.044 187 I HN -0.050 nan 8.210 nan 0.000 0.408 188 F N 0.831 120.936 119.950 0.259 0.000 2.171 188 F HA -0.233 4.304 4.527 0.016 0.000 0.300 188 F C 2.578 178.641 175.800 0.438 0.000 1.090 188 F CA 1.404 59.586 58.000 0.304 0.000 1.293 188 F CB -0.645 38.570 39.000 0.358 0.000 1.013 188 F HN 0.016 nan 8.300 nan 0.000 0.486 189 A N -0.500 122.714 122.820 0.657 0.000 1.898 189 A HA -0.135 4.195 4.320 0.018 0.000 0.216 189 A C 2.056 179.710 177.584 0.116 0.000 1.181 189 A CA 1.584 53.766 52.037 0.243 0.000 0.620 189 A CB -0.859 18.334 19.000 0.322 0.000 0.819 189 A HN 0.348 nan 8.150 nan 0.000 0.442 190 L N -0.429 120.905 121.223 0.185 0.000 2.168 190 L HA 0.064 4.414 4.340 0.018 0.000 0.203 190 L C 1.674 178.699 176.870 0.259 0.000 1.078 190 L CA 1.942 56.848 54.840 0.111 0.000 0.780 190 L CB 0.353 42.294 42.059 -0.196 0.000 0.939 190 L HN 0.370 nan 8.230 nan 0.000 0.451 191 V N -3.169 116.882 119.914 0.228 0.000 3.070 191 V HA 0.404 4.534 4.120 0.018 0.000 0.345 191 V C 0.553 176.781 176.094 0.223 0.000 1.403 191 V CA -0.005 62.510 62.300 0.358 0.000 1.155 191 V CB -0.810 31.231 31.823 0.362 0.000 1.140 191 V HN 0.333 nan 8.190 nan 0.000 0.505 192 S N -0.054 115.720 115.700 0.123 0.000 2.593 192 S HA 0.307 4.787 4.470 0.018 0.000 0.269 192 S C -0.004 174.595 174.600 -0.001 0.000 1.334 192 S CA -0.067 58.143 58.200 0.017 0.000 1.015 192 S CB 1.236 64.546 63.200 0.183 0.000 0.912 192 S HN 0.455 nan 8.310 nan 0.000 0.541 193 D N 1.562 121.876 120.400 -0.142 0.000 2.453 193 D HA 0.179 4.829 4.640 0.018 0.000 0.223 193 D C 0.682 176.873 176.300 -0.183 0.000 1.183 193 D CA -0.906 52.901 54.000 -0.322 0.000 0.933 193 D CB -0.434 40.223 40.800 -0.239 0.000 1.038 193 D HN 0.529 nan 8.370 nan 0.000 0.513 194 F N 1.895 121.908 119.950 0.105 0.000 2.641 194 F HA 0.075 4.613 4.527 0.018 0.000 0.298 194 F C 1.232 177.058 175.800 0.044 0.000 1.146 194 F CA 0.029 58.051 58.000 0.037 0.000 1.464 194 F CB -1.174 37.794 39.000 -0.053 0.000 1.101 194 F HN 0.194 nan 8.300 nan 0.000 0.585 195 N N 0.392 119.180 118.700 0.147 0.000 2.515 195 N HA 0.107 4.857 4.740 0.018 0.000 0.185 195 N C 0.058 175.614 175.510 0.077 0.000 1.109 195 N CA -0.025 53.126 53.050 0.168 0.000 0.903 195 N CB 0.068 38.627 38.487 0.120 0.000 0.969 195 N HN 0.265 nan 8.380 nan 0.000 0.450 196 L N 1.370 122.613 121.223 0.033 0.000 2.350 196 L HA 0.251 4.602 4.340 0.018 0.000 0.275 196 L C -1.113 175.781 176.870 0.039 0.000 1.099 196 L CA -1.726 53.117 54.840 0.004 0.000 0.808 196 L CB 0.847 42.877 42.059 -0.048 0.000 1.149 196 L HN -0.101 nan 8.230 nan 0.000 0.442 197 P HA -0.152 nan 4.420 nan 0.000 0.220 197 P C 0.242 177.569 177.300 0.045 0.000 1.148 197 P CA 1.131 64.255 63.100 0.039 0.000 0.803 197 P CB 0.049 31.764 31.700 0.024 0.000 0.782 198 D N -1.489 118.933 120.400 0.036 0.000 2.615 198 D HA -0.025 4.626 4.640 0.018 0.000 0.236 198 D C 1.158 177.497 176.300 0.065 0.000 1.233 198 D CA -0.515 53.511 54.000 0.044 0.000 0.829 198 D CB -1.376 39.437 40.800 0.022 0.000 1.024 198 D HN 0.119 nan 8.370 nan 0.000 0.490 199 N N 1.317 120.071 118.700 0.090 0.000 2.069 199 N HA -0.196 4.554 4.740 0.018 0.000 0.191 199 N C 0.576 176.214 175.510 0.213 0.000 1.031 199 N CA 1.210 54.340 53.050 0.134 0.000 0.852 199 N CB 0.174 38.756 38.487 0.157 0.000 1.018 199 N HN 0.007 nan 8.380 nan 0.000 0.423 200 D N 0.627 121.153 120.400 0.210 0.000 2.117 200 D HA -0.173 4.477 4.640 0.018 0.000 0.197 200 D C 1.891 178.337 176.300 0.244 0.000 0.987 200 D CA 1.251 55.430 54.000 0.299 0.000 0.829 200 D CB -0.199 40.728 40.800 0.212 0.000 0.961 200 D HN 0.712 nan 8.370 nan 0.000 0.460 201 E N -0.123 120.161 120.200 0.139 0.000 2.122 201 E HA -0.098 4.263 4.350 0.018 0.000 0.190 201 E C 0.730 177.367 176.600 0.062 0.000 0.977 201 E CA 0.572 57.025 56.400 0.087 0.000 0.820 201 E CB -0.063 29.674 29.700 0.061 0.000 0.770 201 E HN -0.016 nan 8.360 nan 0.000 0.462 202 N N 1.410 120.135 118.700 0.041 0.000 2.703 202 N HA 0.186 4.937 4.740 0.018 0.000 0.283 202 N C -2.776 172.679 175.510 -0.091 0.000 1.851 202 N CA -2.149 50.875 53.050 -0.044 0.000 0.826 202 N CB 1.012 39.483 38.487 -0.027 0.000 1.239 202 N HN -0.044 nan 8.380 nan 0.000 0.495 203 P HA 0.148 nan 4.420 nan 0.000 0.271 203 P C -0.740 176.581 177.300 0.035 0.000 1.216 203 P CA -0.023 63.126 63.100 0.083 0.000 0.776 203 P CB 1.340 33.262 31.700 0.371 0.000 0.881 204 L N 2.704 123.938 121.223 0.018 0.000 2.356 204 L HA 0.353 4.703 4.340 0.018 0.000 0.277 204 L C 0.157 176.874 176.870 -0.255 0.000 0.996 204 L CA -1.382 53.414 54.840 -0.074 0.000 0.822 204 L CB 2.165 44.202 42.059 -0.037 0.000 1.256 204 L HN 0.083 nan 8.230 nan 0.000 0.413 205 V N 3.584 123.061 119.914 -0.728 0.000 2.521 205 V HA 0.117 4.248 4.120 0.018 0.000 0.286 205 V C 0.738 176.394 176.094 -0.731 0.000 1.034 205 V CA -0.163 61.567 62.300 -0.952 0.000 1.045 205 V CB 0.781 31.504 31.823 -1.833 0.000 0.974 205 V HN 0.659 nan 8.190 nan 0.000 0.480 206 R N 4.089 124.222 120.500 -0.613 0.000 2.242 206 R HA 0.296 4.646 4.340 0.018 0.000 0.334 206 R C 1.006 177.094 176.300 -0.353 0.000 1.071 206 R CA -0.218 55.399 56.100 -0.806 0.000 0.922 206 R CB 0.452 29.976 30.300 -1.294 0.000 1.023 206 R HN 0.682 nan 8.270 nan 0.000 0.458 207 I N 2.552 122.977 120.570 -0.243 0.000 2.286 207 I HA -0.321 3.860 4.170 0.018 0.000 0.248 207 I C 1.820 178.030 176.117 0.154 0.000 1.115 207 I CA 1.322 62.693 61.300 0.118 0.000 1.392 207 I CB -0.177 37.914 38.000 0.152 0.000 1.065 207 I HN 0.671 nan 8.210 nan 0.000 0.418 208 D N 0.149 120.565 120.400 0.026 0.000 2.144 208 D HA -0.244 4.407 4.640 0.018 0.000 0.199 208 D C 1.857 178.374 176.300 0.362 0.000 0.984 208 D CA 1.149 55.240 54.000 0.152 0.000 0.834 208 D CB -0.739 40.122 40.800 0.100 0.000 0.955 208 D HN 0.324 nan 8.370 nan 0.000 0.465 209 W N 0.436 121.800 121.300 0.105 0.000 2.355 209 W HA 0.005 4.677 4.660 0.020 0.000 0.309 209 W C 2.164 178.861 176.519 0.297 0.000 1.206 209 W CA -0.390 57.022 57.345 0.113 0.000 1.284 209 W CB -1.588 27.882 29.460 0.015 0.000 1.145 209 W HN 0.112 nan 8.180 nan 0.000 0.502 210 W N 1.607 123.110 121.300 0.338 0.000 2.333 210 W HA -0.215 4.455 4.660 0.017 0.000 0.316 210 W C 2.425 179.121 176.519 0.296 0.000 1.215 210 W CA 2.309 59.824 57.345 0.283 0.000 1.278 210 W CB -0.877 28.648 29.460 0.108 0.000 1.154 210 W HN -0.100 nan 8.180 nan 0.000 0.486 211 K N -1.320 119.273 120.400 0.323 0.000 2.057 211 K HA -0.280 4.051 4.320 0.018 0.000 0.207 211 K C 2.262 179.003 176.600 0.234 0.000 1.049 211 K CA 1.766 58.206 56.287 0.255 0.000 0.931 211 K CB -0.892 31.711 32.500 0.173 0.000 0.714 211 K HN 0.163 nan 8.250 nan 0.000 0.440 212 Y N 0.115 120.522 120.300 0.178 0.000 2.114 212 Y HA -0.282 4.278 4.550 0.017 0.000 0.284 212 Y C 2.089 178.053 175.900 0.106 0.000 1.143 212 Y CA 2.104 60.274 58.100 0.116 0.000 1.135 212 Y CB -0.624 37.914 38.460 0.130 0.000 0.980 212 Y HN 0.318 nan 8.280 nan 0.000 0.499 213 W N 0.182 121.644 121.300 0.270 0.000 2.335 213 W HA -0.284 4.386 4.660 0.018 0.000 0.311 213 W C 1.777 178.340 176.519 0.072 0.000 1.213 213 W CA 2.060 59.491 57.345 0.143 0.000 1.274 213 W CB -1.345 28.224 29.460 0.182 0.000 1.148 213 W HN 0.113 nan 8.180 nan 0.000 0.498 214 F N 0.682 120.372 119.950 -0.433 0.000 2.163 214 F HA -0.117 4.420 4.527 0.018 0.000 0.297 214 F C 2.663 177.777 175.800 -1.144 0.000 1.094 214 F CA 2.261 59.716 58.000 -0.908 0.000 1.290 214 F CB -1.193 37.024 39.000 -1.304 0.000 1.017 214 F HN -0.242 nan 8.300 nan 0.000 0.483 215 T N -0.409 113.698 114.554 -0.745 0.000 2.812 215 T HA -0.107 4.254 4.350 0.018 0.000 0.264 215 T C 1.647 176.054 174.700 -0.488 0.000 1.042 215 T CA 1.366 62.911 62.100 -0.926 0.000 1.140 215 T CB -0.160 68.504 68.868 -0.340 0.000 0.870 215 T HN 0.096 nan 8.240 nan 0.000 0.445 216 N N 0.607 119.095 118.700 -0.353 0.000 2.356 216 N HA 0.057 4.808 4.740 0.018 0.000 0.178 216 N C 0.110 175.548 175.510 -0.120 0.000 1.075 216 N CA 0.160 53.037 53.050 -0.289 0.000 0.889 216 N CB 0.122 38.283 38.487 -0.542 0.000 0.999 216 N HN 0.475 nan 8.380 nan 0.000 0.464 217 E N 0.100 120.247 120.200 -0.088 0.000 2.269 217 E HA -0.181 4.179 4.350 0.018 0.000 0.223 217 E C -0.679 175.932 176.600 0.018 0.000 1.244 217 E CA 0.360 56.760 56.400 0.000 0.000 0.713 217 E CB -1.232 28.491 29.700 0.038 0.000 1.178 217 E HN 0.132 nan 8.360 nan 0.000 0.370 218 S N -1.092 114.584 115.700 -0.040 0.000 2.705 218 S HA 0.726 5.206 4.470 0.018 0.000 0.280 218 S C -1.382 173.055 174.600 -0.273 0.000 1.174 218 S CA -0.862 57.264 58.200 -0.124 0.000 0.823 218 S CB 0.925 64.214 63.200 0.147 0.000 1.162 218 S HN 0.156 nan 8.310 nan 0.000 0.487 219 F N 2.517 122.512 119.950 0.077 0.000 2.404 219 F HA 0.446 4.984 4.527 0.017 0.000 0.339 219 F C -1.633 173.792 175.800 -0.625 0.000 1.105 219 F CA -2.123 55.599 58.000 -0.465 0.000 1.087 219 F CB 1.112 39.773 39.000 -0.565 0.000 1.143 219 F HN 0.285 nan 8.300 nan 0.000 0.491 220 P HA -0.003 nan 4.420 nan 0.000 0.246 220 P C 0.519 177.494 177.300 -0.541 0.000 1.686 220 P CA 0.271 62.692 63.100 -1.131 0.000 0.867 220 P CB -0.528 30.663 31.700 -0.847 0.000 1.733 221 Y N 0.488 120.654 120.300 -0.222 0.000 2.193 221 Y HA -0.234 4.325 4.550 0.016 0.000 0.285 221 Y C 2.487 178.418 175.900 0.051 0.000 1.166 221 Y CA 1.694 59.796 58.100 0.004 0.000 1.181 221 Y CB -1.069 37.417 38.460 0.043 0.000 0.976 221 Y HN 0.300 nan 8.280 nan 0.000 0.520 222 H N -0.961 118.192 119.070 0.138 0.000 2.521 222 H HA 0.013 4.580 4.556 0.019 0.000 0.286 222 H C 1.694 177.117 175.328 0.158 0.000 1.034 222 H CA 0.912 57.050 56.048 0.150 0.000 1.278 222 H CB -0.342 29.514 29.762 0.155 0.000 1.386 222 H HN 0.346 nan 8.280 nan 0.000 0.567 223 L N -0.770 120.594 121.223 0.235 0.000 2.653 223 L HA 0.227 4.578 4.340 0.018 0.000 0.231 223 L C 1.333 178.503 176.870 0.501 0.000 1.153 223 L CA 0.432 55.485 54.840 0.355 0.000 0.933 223 L CB 0.367 42.691 42.059 0.442 0.000 1.175 223 L HN 0.361 nan 8.230 nan 0.000 0.473 224 G N -0.715 108.299 108.800 0.357 0.000 2.175 224 G HA2 -0.318 3.652 3.960 0.018 0.000 0.244 224 G HA3 -0.318 3.652 3.960 0.018 0.000 0.244 224 G C -0.009 175.034 174.900 0.239 0.000 0.982 224 G CA -0.173 45.153 45.100 0.377 0.000 0.641 224 G HN 0.385 nan 8.290 nan 0.000 0.527 225 W N 2.734 123.753 121.300 -0.467 0.000 2.158 225 W HA 0.547 5.216 4.660 0.014 0.000 0.339 225 W C 0.724 176.918 176.519 -0.541 0.000 1.294 225 W CA 1.080 57.751 57.345 -1.123 0.000 1.231 225 W CB 0.370 28.798 29.460 -1.721 0.000 1.143 225 W HN 0.588 nan 8.180 nan 0.000 0.571 226 H N 1.939 120.124 119.070 -1.476 0.000 3.008 226 H HA 0.581 5.147 4.556 0.016 0.000 0.354 226 H C -2.826 171.004 175.328 -2.498 0.000 1.252 226 H CA -2.904 52.066 56.048 -1.797 0.000 1.117 226 H CB 0.686 29.770 29.762 -1.130 0.000 1.857 226 H HN 0.064 nan 8.280 nan 0.000 0.547 227 P HA 0.077 nan 4.420 nan 0.000 0.262 227 P C -2.481 174.373 177.300 -0.743 0.000 1.182 227 P CA -0.611 61.901 63.100 -0.980 0.000 0.761 227 P CB -0.168 31.235 31.700 -0.495 0.000 0.795 228 P HA -0.008 nan 4.420 nan 0.000 0.264 228 P C -0.255 176.839 177.300 -0.343 0.000 1.183 228 P CA 0.765 63.587 63.100 -0.462 0.000 0.763 228 P CB 0.400 31.943 31.700 -0.262 0.000 0.807 229 S N 2.887 118.399 115.700 -0.314 0.000 2.672 229 S HA 0.552 5.032 4.470 0.018 0.000 0.291 229 S C -2.403 172.118 174.600 -0.132 0.000 1.145 229 S CA -1.352 56.743 58.200 -0.176 0.000 1.013 229 S CB 0.225 63.377 63.200 -0.079 0.000 1.017 229 S HN 0.248 nan 8.310 nan 0.000 0.487 230 P HA 0.356 nan 4.420 nan 0.000 0.272 230 P C -0.336 176.897 177.300 -0.113 0.000 1.240 230 P CA -0.524 62.521 63.100 -0.093 0.000 0.791 230 P CB 0.218 31.881 31.700 -0.061 0.000 0.978 231 A N 2.387 125.147 122.820 -0.100 0.000 2.565 231 A HA 0.050 4.381 4.320 0.018 0.000 0.237 231 A C 0.766 178.298 177.584 -0.087 0.000 1.053 231 A CA -0.107 51.871 52.037 -0.098 0.000 0.755 231 A CB -0.198 18.759 19.000 -0.072 0.000 0.980 231 A HN 0.400 nan 8.150 nan 0.000 0.506 232 R N 1.892 122.327 120.500 -0.109 0.000 2.590 232 R HA 0.188 4.538 4.340 0.018 0.000 0.274 232 R C 0.081 176.377 176.300 -0.008 0.000 1.061 232 R CA 0.195 56.228 56.100 -0.112 0.000 1.081 232 R CB 0.270 30.470 30.300 -0.167 0.000 0.984 232 R HN 0.778 nan 8.270 nan 0.000 0.448 233 E N 1.236 121.471 120.200 0.058 0.000 2.264 233 E HA 0.117 4.478 4.350 0.018 0.000 0.260 233 E C 1.129 177.835 176.600 0.177 0.000 0.961 233 E CA -0.931 55.528 56.400 0.099 0.000 0.834 233 E CB 1.266 31.016 29.700 0.083 0.000 1.230 233 E HN 0.266 nan 8.360 nan 0.000 0.412 234 I N 1.456 122.117 120.570 0.151 0.000 2.361 234 I HA -0.238 3.943 4.170 0.018 0.000 0.251 234 I C 2.071 178.290 176.117 0.171 0.000 1.133 234 I CA 1.575 62.980 61.300 0.175 0.000 1.413 234 I CB -0.175 37.903 38.000 0.130 0.000 1.073 234 I HN 0.535 nan 8.210 nan 0.000 0.424 235 E N 0.183 120.469 120.200 0.144 0.000 2.058 235 E HA -0.324 4.036 4.350 0.018 0.000 0.194 235 E C 2.275 178.962 176.600 0.144 0.000 0.997 235 E CA 1.746 58.215 56.400 0.115 0.000 0.801 235 E CB -0.593 29.164 29.700 0.095 0.000 0.746 235 E HN 0.525 nan 8.360 nan 0.000 0.450 236 F N 1.085 121.081 119.950 0.078 0.000 2.095 236 F HA -0.232 4.305 4.527 0.018 0.000 0.298 236 F C 2.304 178.174 175.800 0.117 0.000 1.104 236 F CA 1.584 59.643 58.000 0.099 0.000 1.232 236 F CB -0.442 38.630 39.000 0.119 0.000 0.987 236 F HN -0.130 nan 8.300 nan 0.000 0.475 237 V N 0.319 120.482 119.914 0.416 0.000 2.295 237 V HA -0.321 3.809 4.120 0.018 0.000 0.246 237 V C 2.627 178.777 176.094 0.094 0.000 1.049 237 V CA 2.484 64.987 62.300 0.338 0.000 1.024 237 V CB -1.280 30.799 31.823 0.427 0.000 0.648 237 V HN 0.646 nan 8.190 nan 0.000 0.447 238 T N -3.190 111.398 114.554 0.056 0.000 2.942 238 T HA -0.151 4.210 4.350 0.018 0.000 0.265 238 T C 2.041 176.683 174.700 -0.097 0.000 1.062 238 T CA 1.522 63.611 62.100 -0.019 0.000 1.139 238 T CB -0.300 68.566 68.868 -0.004 0.000 0.883 238 T HN 0.366 nan 8.240 nan 0.000 0.468 239 S N 1.534 117.161 115.700 -0.122 0.000 2.356 239 S HA -0.007 4.474 4.470 0.018 0.000 0.223 239 S C 2.484 176.864 174.600 -0.366 0.000 1.032 239 S CA 1.357 59.430 58.200 -0.211 0.000 1.005 239 S CB -0.998 62.085 63.200 -0.195 0.000 0.867 239 S HN 0.746 nan 8.310 nan 0.000 0.449 240 A N 0.560 123.133 122.820 -0.413 0.000 1.902 240 A HA -0.063 4.268 4.320 0.018 0.000 0.217 240 A C 2.429 179.738 177.584 -0.458 0.000 1.181 240 A CA 2.205 53.918 52.037 -0.540 0.000 0.623 240 A CB -1.473 17.353 19.000 -0.289 0.000 0.818 240 A HN 0.625 nan 8.150 nan 0.000 0.443 241 S N -0.605 114.964 115.700 -0.217 0.000 2.353 241 S HA -0.189 4.291 4.470 0.018 0.000 0.222 241 S C 2.367 176.853 174.600 -0.189 0.000 1.035 241 S CA 2.182 60.302 58.200 -0.133 0.000 1.025 241 S CB -0.546 62.608 63.200 -0.077 0.000 0.902 241 S HN 0.655 nan 8.310 nan 0.000 0.440 242 S N 0.591 116.162 115.700 -0.216 0.000 2.368 242 S HA -0.024 4.457 4.470 0.018 0.000 0.225 242 S C 2.074 176.503 174.600 -0.284 0.000 1.030 242 S CA 1.502 59.580 58.200 -0.204 0.000 0.999 242 S CB -0.815 62.282 63.200 -0.173 0.000 0.844 242 S HN 0.708 nan 8.310 nan 0.000 0.459 243 A N 0.750 123.273 122.820 -0.494 0.000 1.902 243 A HA 0.017 4.348 4.320 0.018 0.000 0.217 243 A C 2.334 179.602 177.584 -0.528 0.000 1.181 243 A CA 1.673 53.305 52.037 -0.675 0.000 0.623 243 A CB -1.025 17.131 19.000 -1.408 0.000 0.818 243 A HN 0.448 nan 8.150 nan 0.000 0.443 244 V N 0.228 119.854 119.914 -0.480 0.000 2.255 244 V HA -0.277 3.853 4.120 0.018 0.000 0.247 244 V C 2.522 178.579 176.094 -0.061 0.000 1.051 244 V CA 2.116 64.336 62.300 -0.134 0.000 1.018 244 V CB -0.730 31.100 31.823 0.011 0.000 0.641 244 V HN 0.587 nan 8.190 nan 0.000 0.445 245 L N -0.154 121.018 121.223 -0.084 0.000 2.291 245 L HA -0.025 4.325 4.340 0.018 0.000 0.214 245 L C 2.443 179.280 176.870 -0.054 0.000 1.120 245 L CA 1.122 55.934 54.840 -0.047 0.000 0.799 245 L CB -0.604 41.426 42.059 -0.048 0.000 0.925 245 L HN 0.363 nan 8.230 nan 0.000 0.446 246 A N 0.124 122.891 122.820 -0.089 0.000 2.169 246 A HA 0.314 4.644 4.320 0.018 0.000 0.212 246 A C 1.312 178.870 177.584 -0.044 0.000 1.153 246 A CA 0.428 52.422 52.037 -0.072 0.000 0.756 246 A CB -0.304 18.636 19.000 -0.099 0.000 0.813 246 A HN 0.257 nan 8.150 nan 0.000 0.471 247 A N 0.274 123.076 122.820 -0.030 0.000 2.440 247 A HA 0.474 4.805 4.320 0.018 0.000 0.251 247 A C 0.689 178.284 177.584 0.018 0.000 1.089 247 A CA 0.176 52.219 52.037 0.011 0.000 0.779 247 A CB -0.044 18.989 19.000 0.055 0.000 1.022 247 A HN 0.414 nan 8.150 nan 0.000 0.492 248 S N 1.563 117.276 115.700 0.021 0.000 2.537 248 S HA 0.290 4.770 4.470 0.018 0.000 0.286 248 S C 0.038 174.653 174.600 0.025 0.000 1.299 248 S CA -0.434 57.777 58.200 0.018 0.000 1.067 248 S CB -0.118 63.092 63.200 0.015 0.000 0.864 248 S HN 0.658 nan 8.310 nan 0.000 0.494 249 V N 5.856 125.781 119.914 0.019 0.000 2.406 249 V HA 0.261 4.392 4.120 0.018 0.000 0.272 249 V C 1.385 177.489 176.094 0.016 0.000 1.043 249 V CA 0.158 62.470 62.300 0.020 0.000 0.915 249 V CB 0.859 32.690 31.823 0.014 0.000 0.988 249 V HN 1.104 nan 8.190 nan 0.000 0.466 250 T N -0.363 114.202 114.554 0.019 0.000 3.001 250 T HA 0.163 4.524 4.350 0.018 0.000 0.251 250 T C 0.681 175.388 174.700 0.011 0.000 1.040 250 T CA 0.274 62.383 62.100 0.015 0.000 0.985 250 T CB 0.443 69.322 68.868 0.019 0.000 1.011 250 T HN 0.531 nan 8.240 nan 0.000 0.509 251 S N 1.186 116.894 115.700 0.012 0.000 2.733 251 S HA 0.532 5.012 4.470 0.018 0.000 0.294 251 S C -1.096 173.507 174.600 0.005 0.000 1.149 251 S CA -0.478 57.727 58.200 0.007 0.000 1.034 251 S CB 1.262 64.467 63.200 0.008 0.000 1.015 251 S HN 0.300 nan 8.310 nan 0.000 0.486 252 T N 6.849 121.403 114.554 0.000 0.000 2.756 252 T HA 0.542 4.903 4.350 0.018 0.000 0.290 252 T C -2.470 172.225 174.700 -0.009 0.000 0.985 252 T CA -0.899 61.199 62.100 -0.004 0.000 0.955 252 T CB 1.076 69.941 68.868 -0.006 0.000 0.930 252 T HN 0.485 nan 8.240 nan 0.000 0.451 253 P HA 0.372 nan 4.420 nan 0.000 0.274 253 P C -0.236 177.047 177.300 -0.028 0.000 1.231 253 P CA -0.530 62.559 63.100 -0.019 0.000 0.790 253 P CB 0.540 32.227 31.700 -0.020 0.000 0.951 254 S N 0.238 115.919 115.700 -0.031 0.000 2.614 254 S HA 0.233 4.713 4.470 0.018 0.000 0.265 254 S C 0.440 175.006 174.600 -0.057 0.000 1.303 254 S CA -0.045 58.132 58.200 -0.038 0.000 1.000 254 S CB 0.027 63.207 63.200 -0.034 0.000 0.935 254 S HN 0.543 nan 8.310 nan 0.000 0.551 255 S N -0.567 115.095 115.700 -0.063 0.000 3.593 255 S HA -0.131 4.349 4.470 0.018 0.000 0.301 255 S C -0.033 174.492 174.600 -0.126 0.000 1.209 255 S CA 0.161 58.305 58.200 -0.093 0.000 0.878 255 S CB -1.863 61.272 63.200 -0.108 0.000 1.000 255 S HN 0.568 nan 8.310 nan 0.000 0.578 256 L N 2.552 123.722 121.223 -0.089 0.000 2.426 256 L HA 0.322 4.672 4.340 0.018 0.000 0.271 256 L C -1.016 175.819 176.870 -0.060 0.000 1.169 256 L CA -1.616 53.174 54.840 -0.084 0.000 0.836 256 L CB 0.073 42.103 42.059 -0.048 0.000 1.112 256 L HN 0.069 nan 8.230 nan 0.000 0.465 257 P HA -0.007 nan 4.420 nan 0.000 0.273 257 P C -0.473 176.845 177.300 0.030 0.000 1.250 257 P CA -0.481 62.652 63.100 0.054 0.000 0.793 257 P CB 0.680 32.519 31.700 0.232 0.000 1.011 258 S N -0.243 115.475 115.700 0.031 0.000 2.525 258 S HA 0.327 4.808 4.470 0.018 0.000 0.285 258 S C 1.360 175.963 174.600 0.006 0.000 1.283 258 S CA 0.769 58.976 58.200 0.011 0.000 1.072 258 S CB -1.508 61.698 63.200 0.009 0.000 0.867 258 S HN 0.928 nan 8.310 nan 0.000 0.492 259 G N 3.464 112.262 108.800 -0.003 0.000 2.162 259 G HA2 -0.267 3.704 3.960 0.018 0.000 0.260 259 G HA3 -0.267 3.704 3.960 0.018 0.000 0.260 259 G C 1.035 175.928 174.900 -0.011 0.000 0.976 259 G CA 0.539 45.634 45.100 -0.009 0.000 0.655 259 G HN 1.464 nan 8.290 nan 0.000 0.533 260 A N -0.296 122.519 122.820 -0.009 0.000 1.903 260 A HA 0.121 4.452 4.320 0.018 0.000 0.219 260 A C 1.427 179.001 177.584 -0.017 0.000 1.191 260 A CA 1.523 53.551 52.037 -0.016 0.000 0.638 260 A CB -0.220 18.769 19.000 -0.019 0.000 0.823 260 A HN 0.955 nan 8.150 nan 0.000 0.451 261 I N -0.150 120.413 120.570 -0.013 0.000 2.396 261 I HA 0.494 4.674 4.170 0.018 0.000 0.289 261 I C 0.774 176.883 176.117 -0.014 0.000 1.056 261 I CA 0.592 61.886 61.300 -0.010 0.000 1.365 261 I CB 0.344 38.340 38.000 -0.008 0.000 1.407 261 I HN 0.530 nan 8.210 nan 0.000 0.509 262 G N 6.839 115.629 108.800 -0.016 0.000 2.353 262 G HA2 0.013 3.983 3.960 0.018 0.000 0.424 262 G HA3 0.013 3.983 3.960 0.018 0.000 0.424 262 G C -3.221 171.663 174.900 -0.028 0.000 1.320 262 G CA -1.181 43.906 45.100 -0.021 0.000 0.995 262 G HN 0.332 nan 8.290 nan 0.000 0.580 263 P HA 0.437 nan 4.420 nan 0.000 0.267 263 P C 0.556 177.832 177.300 -0.039 0.000 1.201 263 P CA 0.830 63.906 63.100 -0.041 0.000 0.775 263 P CB 0.759 32.434 31.700 -0.042 0.000 0.854 264 G N 0.191 108.965 108.800 -0.044 0.000 2.453 264 G HA2 0.599 4.569 3.960 0.018 0.000 0.323 264 G HA3 0.599 4.569 3.960 0.018 0.000 0.323 264 G C -0.849 174.022 174.900 -0.048 0.000 1.198 264 G CA -0.589 44.484 45.100 -0.044 0.000 0.959 264 G HN 0.597 nan 8.290 nan 0.000 0.482 265 A N 0.356 123.146 122.820 -0.050 0.000 2.406 265 A HA 0.475 4.805 4.320 0.018 0.000 0.243 265 A C 0.597 178.148 177.584 -0.055 0.000 1.082 265 A CA -0.203 51.802 52.037 -0.053 0.000 0.786 265 A CB 0.250 19.216 19.000 -0.057 0.000 1.029 265 A HN 0.759 nan 8.150 nan 0.000 0.495 266 E N 0.705 120.874 120.200 -0.053 0.000 2.414 266 E HA 0.362 4.723 4.350 0.018 0.000 0.263 266 E C 0.367 176.931 176.600 -0.060 0.000 1.000 266 E CA -0.015 56.354 56.400 -0.051 0.000 0.914 266 E CB 0.471 30.145 29.700 -0.044 0.000 0.948 266 E HN 0.791 nan 8.360 nan 0.000 0.444 267 A N 3.727 126.511 122.820 -0.061 0.000 2.511 267 A HA 0.361 4.691 4.320 0.018 0.000 0.242 267 A C -0.085 177.455 177.584 -0.074 0.000 1.069 267 A CA -0.058 51.934 52.037 -0.075 0.000 0.763 267 A CB 0.196 19.152 19.000 -0.074 0.000 1.001 267 A HN 0.569 nan 8.150 nan 0.000 0.498 268 V N -0.390 119.467 119.914 -0.094 0.000 3.141 268 V HA 0.770 4.900 4.120 0.018 0.000 0.312 268 V C -3.011 173.014 176.094 -0.115 0.000 1.157 268 V CA -2.648 59.598 62.300 -0.090 0.000 1.041 268 V CB 1.213 32.985 31.823 -0.086 0.000 1.071 268 V HN 0.664 nan 8.190 nan 0.000 0.441 269 P HA 0.302 nan 4.420 nan 0.000 0.266 269 P C -0.426 176.780 177.300 -0.157 0.000 1.195 269 P CA 0.112 63.147 63.100 -0.107 0.000 0.768 269 P CB 0.251 31.911 31.700 -0.067 0.000 0.838 270 L N 1.587 122.701 121.223 -0.182 0.000 2.453 270 L HA 0.463 4.813 4.340 0.018 0.000 0.261 270 L C 0.822 177.471 176.870 -0.367 0.000 1.179 270 L CA 0.273 54.925 54.840 -0.312 0.000 0.813 270 L CB 0.586 42.499 42.059 -0.243 0.000 1.110 270 L HN 0.370 nan 8.230 nan 0.000 0.466 271 S N 0.655 115.945 115.700 -0.683 0.000 2.543 271 S HA 0.701 5.181 4.470 0.018 0.000 0.271 271 S C -1.361 172.682 174.600 -0.929 0.000 1.148 271 S CA -0.540 57.333 58.200 -0.545 0.000 0.914 271 S CB 0.757 63.784 63.200 -0.288 0.000 1.096 271 S HN 0.301 nan 8.310 nan 0.000 0.471 272 F N 2.320 122.157 119.950 -0.189 0.000 2.529 272 F HA 0.704 5.240 4.527 0.015 0.000 0.320 272 F C 0.635 176.345 175.800 -0.150 0.000 1.118 272 F CA -0.832 56.992 58.000 -0.293 0.000 0.915 272 F CB 1.694 40.261 39.000 -0.721 0.000 1.161 272 F HN 0.727 nan 8.300 nan 0.000 0.445 273 A N 1.560 124.403 122.820 0.038 0.000 2.540 273 A HA 0.208 4.538 4.320 0.018 0.000 0.239 273 A C 1.196 178.833 177.584 0.088 0.000 1.061 273 A CA 0.146 52.210 52.037 0.044 0.000 0.758 273 A CB 0.061 19.078 19.000 0.028 0.000 0.991 273 A HN 0.888 nan 8.150 nan 0.000 0.502 274 S N 0.666 116.411 115.700 0.074 0.000 2.442 274 S HA -0.133 4.348 4.470 0.018 0.000 0.236 274 S C 2.093 176.738 174.600 0.076 0.000 1.007 274 S CA 1.795 60.046 58.200 0.086 0.000 0.965 274 S CB -0.333 62.904 63.200 0.062 0.000 0.773 274 S HN 1.066 nan 8.310 nan 0.000 0.504 275 T N -0.959 113.631 114.554 0.059 0.000 3.085 275 T HA 0.182 4.543 4.350 0.018 0.000 0.263 275 T C 0.587 175.318 174.700 0.051 0.000 1.127 275 T CA 0.199 62.326 62.100 0.044 0.000 1.103 275 T CB -0.263 68.622 68.868 0.030 0.000 0.921 275 T HN 0.231 nan 8.240 nan 0.000 0.510 276 M N 4.245 123.896 119.600 0.086 0.000 2.146 276 M HA 0.239 4.729 4.480 0.018 0.000 0.352 276 M C -0.129 176.253 176.300 0.136 0.000 1.343 276 M CA -0.363 54.999 55.300 0.104 0.000 1.115 276 M CB 0.771 33.453 32.600 0.137 0.000 1.657 276 M HN 0.341 nan 8.290 nan 0.000 0.471 277 T N 4.260 118.822 114.554 0.013 0.000 2.869 277 T HA 0.557 4.917 4.350 0.018 0.000 0.295 277 T C -2.424 172.167 174.700 -0.181 0.000 0.987 277 T CA -1.474 60.581 62.100 -0.075 0.000 1.109 277 T CB 0.497 69.302 68.868 -0.105 0.000 0.932 277 T HN 0.475 nan 8.240 nan 0.000 0.518 278 P HA 0.254 nan 4.420 nan 0.000 0.272 278 P C -0.517 176.574 177.300 -0.349 0.000 1.223 278 P CA -0.642 62.131 63.100 -0.545 0.000 0.784 278 P CB 0.346 31.543 31.700 -0.838 0.000 0.923 279 F N 0.456 120.285 119.950 -0.202 0.000 2.506 279 F HA 0.090 4.627 4.527 0.017 0.000 0.351 279 F C 1.395 177.028 175.800 -0.279 0.000 1.136 279 F CA -0.038 57.835 58.000 -0.210 0.000 1.298 279 F CB -0.159 38.654 39.000 -0.313 0.000 1.145 279 F HN 0.087 nan 8.300 nan 0.000 0.593 280 L N 3.888 125.060 121.223 -0.085 0.000 2.525 280 L HA 0.005 4.356 4.340 0.018 0.000 0.278 280 L C -0.074 176.670 176.870 -0.210 0.000 1.218 280 L CA -0.025 54.719 54.840 -0.159 0.000 0.878 280 L CB 0.046 42.022 42.059 -0.138 0.000 1.127 280 L HN 0.411 nan 8.230 nan 0.000 0.492 281 L N 3.413 124.592 121.223 -0.074 0.000 2.397 281 L HA 0.314 4.664 4.340 0.018 0.000 0.271 281 L C 0.783 177.750 176.870 0.163 0.000 1.148 281 L CA -0.404 54.438 54.840 0.004 0.000 0.825 281 L CB 0.903 42.958 42.059 -0.007 0.000 1.117 281 L HN 0.720 nan 8.230 nan 0.000 0.456 282 A N 1.580 124.559 122.820 0.265 0.000 2.540 282 A HA 0.211 4.541 4.320 0.018 0.000 0.239 282 A C 1.006 178.688 177.584 0.163 0.000 1.061 282 A CA 0.307 52.536 52.037 0.320 0.000 0.758 282 A CB -0.001 19.145 19.000 0.244 0.000 0.991 282 A HN 0.874 nan 8.150 nan 0.000 0.502 283 T N 0.198 114.829 114.554 0.129 0.000 3.105 283 T HA 0.114 4.474 4.350 0.018 0.000 0.253 283 T C 0.397 175.123 174.700 0.044 0.000 1.047 283 T CA -0.345 61.798 62.100 0.072 0.000 0.944 283 T CB -0.583 68.322 68.868 0.061 0.000 1.016 283 T HN 0.637 nan 8.240 nan 0.000 0.544 284 N N 2.303 121.029 118.700 0.042 0.000 2.407 284 N HA 0.318 5.069 4.740 0.018 0.000 0.250 284 N C 0.434 175.969 175.510 0.042 0.000 1.236 284 N CA 0.045 53.114 53.050 0.032 0.000 0.879 284 N CB 0.659 39.163 38.487 0.028 0.000 1.088 284 N HN 0.513 nan 8.380 nan 0.000 0.450 285 A N 3.312 126.158 122.820 0.043 0.000 2.507 285 A HA 0.142 4.473 4.320 0.018 0.000 0.235 285 A C -1.858 175.777 177.584 0.085 0.000 1.070 285 A CA -0.813 51.258 52.037 0.056 0.000 0.768 285 A CB -0.363 18.672 19.000 0.060 0.000 1.011 285 A HN 0.459 nan 8.150 nan 0.000 0.502 286 P HA 0.017 nan 4.420 nan 0.000 0.268 286 P C -0.625 176.794 177.300 0.199 0.000 1.204 286 P CA 0.349 63.525 63.100 0.126 0.000 0.768 286 P CB 0.137 31.887 31.700 0.083 0.000 0.842 287 Y N 5.419 125.771 120.300 0.087 0.000 2.597 287 Y HA 0.193 4.753 4.550 0.017 0.000 0.336 287 Y C -0.363 175.642 175.900 0.175 0.000 1.216 287 Y CA 0.279 58.426 58.100 0.079 0.000 1.463 287 Y CB 0.164 38.663 38.460 0.066 0.000 1.303 287 Y HN 0.448 nan 8.280 nan 0.000 0.576 288 Y N 2.841 122.612 120.300 -0.882 0.000 2.571 288 Y HA 0.794 5.355 4.550 0.018 0.000 0.341 288 Y C -1.038 174.274 175.900 -0.981 0.000 1.076 288 Y CA -1.838 55.756 58.100 -0.843 0.000 1.029 288 Y CB 0.414 38.700 38.460 -0.291 0.000 1.308 288 Y HN 0.831 nan 8.280 nan 0.000 0.461 289 A N 2.151 124.639 122.820 -0.553 0.000 2.488 289 A HA 0.369 4.700 4.320 0.018 0.000 0.249 289 A C 0.094 177.534 177.584 -0.240 0.000 1.083 289 A CA -0.163 51.657 52.037 -0.360 0.000 0.768 289 A CB 0.165 19.038 19.000 -0.211 0.000 1.017 289 A HN 0.936 nan 8.150 nan 0.000 0.496 290 Q N 0.152 119.816 119.800 -0.227 0.000 2.113 290 Q HA 0.114 4.465 4.340 0.018 0.000 0.225 290 Q C -0.925 175.028 176.000 -0.078 0.000 0.786 290 Q CA 0.034 55.741 55.803 -0.160 0.000 0.989 290 Q CB 0.914 29.492 28.738 -0.267 0.000 1.174 290 Q HN 0.806 nan 8.270 nan 0.000 0.470 291 D N 1.972 122.336 120.400 -0.060 0.000 2.552 291 D HA 0.179 4.830 4.640 0.018 0.000 0.285 291 D C -2.234 174.048 176.300 -0.030 0.000 1.206 291 D CA -1.330 52.652 54.000 -0.031 0.000 0.826 291 D CB 0.941 41.734 40.800 -0.012 0.000 1.179 291 D HN 0.030 nan 8.370 nan 0.000 0.508 292 P HA 0.368 nan 4.420 nan 0.000 0.283 292 P C -0.118 177.150 177.300 -0.054 0.000 1.278 292 P CA -0.496 62.583 63.100 -0.035 0.000 0.834 292 P CB 0.784 32.471 31.700 -0.022 0.000 1.150 293 T N -1.147 113.394 114.554 -0.022 0.000 2.900 293 T HA 0.335 4.696 4.350 0.018 0.000 0.307 293 T C 0.526 175.200 174.700 -0.042 0.000 1.065 293 T CA -0.618 61.486 62.100 0.005 0.000 1.105 293 T CB 0.051 68.962 68.868 0.070 0.000 0.979 293 T HN 0.253 nan 8.240 nan 0.000 0.544 294 L N 1.911 123.074 121.223 -0.100 0.000 2.343 294 L HA 0.616 4.967 4.340 0.018 0.000 0.275 294 L C 1.244 178.074 176.870 -0.067 0.000 1.056 294 L CA -1.123 53.578 54.840 -0.231 0.000 0.804 294 L CB 1.026 42.619 42.059 -0.778 0.000 1.203 294 L HN 0.977 nan 8.230 nan 0.000 0.440 295 G N 1.091 109.883 108.800 -0.013 0.000 2.557 295 G HA2 0.357 4.327 3.960 0.018 0.000 0.292 295 G HA3 0.357 4.327 3.960 0.018 0.000 0.292 295 G C -1.709 173.268 174.900 0.128 0.000 1.237 295 G CA -0.939 44.205 45.100 0.072 0.000 0.978 295 G HN 0.484 nan 8.290 nan 0.000 0.498 296 P HA -0.095 nan 4.420 nan 0.000 0.220 296 P C 0.712 178.130 177.300 0.197 0.000 1.148 296 P CA 1.092 64.288 63.100 0.160 0.000 0.803 296 P CB 0.188 31.947 31.700 0.100 0.000 0.782 297 N N -0.701 118.119 118.700 0.198 0.000 2.268 297 N HA 0.040 4.791 4.740 0.018 0.000 0.204 297 N C 0.093 175.780 175.510 0.294 0.000 1.124 297 N CA -0.236 52.965 53.050 0.252 0.000 0.838 297 N CB 0.090 38.726 38.487 0.248 0.000 0.994 297 N HN 0.132 nan 8.380 nan 0.000 0.489 298 D N 0.000 120.537 120.400 0.228 0.000 6.856 298 D HA 0.000 4.651 4.640 0.018 0.000 0.175 298 D CA 0.000 54.106 54.000 0.176 0.000 0.868 298 D CB 0.000 40.856 40.800 0.093 0.000 0.688 298 D HN 0.000 nan 8.370 nan 0.000 0.683