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 1ued_1_A DATA FIRST_RESID 4 DATA SEQUENCE DIDQVAPLLR EPANFQLRTN CDPHEDNFGL RAHGPLVRIV GESSTQLGRD DATA SEQUENCE FVWQAHGYEV VRRILGDHEH FTTRPQFXXX XXXXXXEAQF VGQISTYDPP DATA SEQUENCE EHTRLRKMLT PEFTVRRIRR MEPAIQSLID DRLDLLEAEG PSADLQGLFA DATA SEQUENCE DPVGAHALCE LLGIPRDDQR EFVRRIRRNA XXXRGLKARA ADSAAFNRYL DATA SEQUENCE DNLLARQRAD PDDGLLGMIV RDHGDNVTDE ELKGLCTALI LGGVETVAGM DATA SEQUENCE IGFGVLALLD NPGQIELLFE SPEKAERVVN ELVRYLSPVQ APNPRLAIKD DATA SEQUENCE VVIDGQLIKA GDYVLCSILM ANRDEALTPD PDVLDANRAA VSDVGFGHGI DATA SEQUENCE HYCVGAALAR SMLRMAYQTL WRRFPGLRLA VPIEEVKYRS AFVDCPDQVP DATA SEQUENCE VTW 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.296 176.300 -0.006 0.000 2.045 4 D CA 0.000 53.996 54.000 -0.006 0.000 0.868 4 D CB 0.000 40.797 40.800 -0.004 0.000 0.688 5 I N 1.228 121.796 120.570 -0.002 0.000 2.437 5 I HA 0.433 4.608 4.170 0.008 0.000 0.298 5 I C 0.302 176.425 176.117 0.011 0.000 0.984 5 I CA -0.134 61.167 61.300 0.002 0.000 1.214 5 I CB 1.632 39.633 38.000 0.002 0.000 1.365 5 I HN 0.300 nan 8.210 nan 0.000 0.469 6 D N 3.783 124.194 120.400 0.019 0.000 2.506 6 D HA 0.285 4.930 4.640 0.008 0.000 0.254 6 D C 0.068 176.387 176.300 0.031 0.000 1.089 6 D CA -0.536 53.480 54.000 0.026 0.000 1.050 6 D CB 0.842 41.662 40.800 0.033 0.000 1.221 6 D HN 0.292 nan 8.370 nan 0.000 0.589 7 Q N 0.151 119.969 119.800 0.030 0.000 2.432 7 Q HA 0.137 4.482 4.340 0.008 0.000 0.264 7 Q C -0.195 175.829 176.000 0.040 0.000 1.035 7 Q CA -0.107 55.712 55.803 0.026 0.000 0.908 7 Q CB 0.664 29.413 28.738 0.019 0.000 1.280 7 Q HN 0.189 nan 8.270 nan 0.000 0.455 8 V N 1.630 121.562 119.914 0.030 0.000 2.673 8 V HA 0.026 4.151 4.120 0.008 0.000 0.303 8 V C 0.554 176.663 176.094 0.025 0.000 1.046 8 V CA -0.109 62.217 62.300 0.044 0.000 1.126 8 V CB 0.483 32.299 31.823 -0.012 0.000 0.934 8 V HN 0.851 nan 8.190 nan 0.000 0.487 9 A N 7.846 130.717 122.820 0.086 0.000 2.546 9 A HA 0.359 4.684 4.320 0.008 0.000 0.243 9 A C -2.111 175.409 177.584 -0.107 0.000 1.063 9 A CA -0.702 51.362 52.037 0.045 0.000 0.757 9 A CB -0.484 18.619 19.000 0.173 0.000 0.991 9 A HN 0.731 nan 8.150 nan 0.000 0.503 10 P HA 0.186 nan 4.420 nan 0.000 0.271 10 P C -0.531 176.631 177.300 -0.230 0.000 1.216 10 P CA -0.161 62.849 63.100 -0.149 0.000 0.776 10 P CB 0.453 32.097 31.700 -0.094 0.000 0.881 11 L N 3.664 124.736 121.223 -0.252 0.000 2.433 11 L HA 0.184 4.529 4.340 0.008 0.000 0.275 11 L C 0.066 176.806 176.870 -0.217 0.000 1.128 11 L CA 0.059 54.737 54.840 -0.270 0.000 0.875 11 L CB -0.262 41.648 42.059 -0.249 0.000 1.171 11 L HN 0.216 nan 8.230 nan 0.000 0.463 12 L N 4.580 125.667 121.223 -0.225 0.000 2.334 12 L HA 0.526 4.871 4.340 0.008 0.000 0.276 12 L C 0.254 177.014 176.870 -0.182 0.000 1.014 12 L CA -0.702 54.006 54.840 -0.219 0.000 0.815 12 L CB 1.806 43.698 42.059 -0.278 0.000 1.268 12 L HN 0.556 nan 8.230 nan 0.000 0.428 13 R N 1.986 122.397 120.500 -0.148 0.000 2.491 13 R HA 0.075 4.420 4.340 0.008 0.000 0.283 13 R C -0.003 176.193 176.300 -0.174 0.000 1.072 13 R CA -0.377 55.642 56.100 -0.136 0.000 1.048 13 R CB 0.708 30.953 30.300 -0.092 0.000 0.983 13 R HN 0.627 nan 8.270 nan 0.000 0.450 14 E N 5.249 125.311 120.200 -0.230 0.000 2.415 14 E HA 0.062 4.417 4.350 0.008 0.000 0.260 14 E C -1.997 174.492 176.600 -0.185 0.000 1.016 14 E CA -1.529 54.657 56.400 -0.357 0.000 0.924 14 E CB 0.617 30.056 29.700 -0.435 0.000 0.961 14 E HN 0.385 nan 8.360 nan 0.000 0.459 15 P HA -0.028 nan 4.420 nan 0.000 0.269 15 P C -0.058 177.254 177.300 0.021 0.000 1.215 15 P CA 0.054 63.156 63.100 0.002 0.000 0.780 15 P CB 0.903 32.654 31.700 0.084 0.000 0.898 16 A N 3.000 125.818 122.820 -0.004 0.000 1.903 16 A HA -0.219 4.106 4.320 0.008 0.000 0.219 16 A C 1.337 178.898 177.584 -0.037 0.000 1.191 16 A CA 1.724 53.747 52.037 -0.023 0.000 0.638 16 A CB -0.982 17.995 19.000 -0.039 0.000 0.823 16 A HN 0.626 nan 8.150 nan 0.000 0.451 17 N N -0.663 117.969 118.700 -0.112 0.000 2.378 17 N HA 0.128 4.873 4.740 0.008 0.000 0.243 17 N C -0.485 175.015 175.510 -0.017 0.000 1.137 17 N CA -0.269 52.664 53.050 -0.195 0.000 0.862 17 N CB -0.022 38.016 38.487 -0.749 0.000 1.116 17 N HN 0.415 nan 8.380 nan 0.000 0.499 18 F N 2.450 122.350 119.950 -0.084 0.000 2.602 18 F HA -0.089 4.443 4.527 0.008 0.000 0.385 18 F C 1.416 177.190 175.800 -0.044 0.000 1.063 18 F CA 0.732 58.705 58.000 -0.045 0.000 1.233 18 F CB 0.267 39.248 39.000 -0.033 0.000 1.067 18 F HN 0.279 nan 8.300 nan 0.000 0.564 19 Q N 1.798 121.282 119.800 -0.527 0.000 2.305 19 Q HA -0.266 4.079 4.340 0.008 0.000 0.203 19 Q C -0.500 175.366 176.000 -0.223 0.000 0.663 19 Q CA 1.111 56.625 55.803 -0.481 0.000 1.389 19 Q CB -1.673 26.709 28.738 -0.593 0.000 1.566 19 Q HN 0.605 nan 8.270 nan 0.000 0.755 20 L N 0.731 121.880 121.223 -0.123 0.000 2.416 20 L HA 0.491 4.836 4.340 0.008 0.000 0.262 20 L C 0.693 177.555 176.870 -0.014 0.000 1.093 20 L CA -0.528 54.281 54.840 -0.051 0.000 0.801 20 L CB 0.845 42.889 42.059 -0.025 0.000 1.191 20 L HN 0.037 nan 8.230 nan 0.000 0.459 21 R N -0.166 120.322 120.500 -0.020 0.000 2.828 21 R HA 0.556 4.901 4.340 0.008 0.000 0.264 21 R C -0.985 175.339 176.300 0.040 0.000 1.022 21 R CA -0.778 55.291 56.100 -0.052 0.000 1.021 21 R CB 1.778 31.927 30.300 -0.252 0.000 1.163 21 R HN 0.446 nan 8.270 nan 0.000 0.494 22 T N 2.113 116.679 114.554 0.020 0.000 2.912 22 T HA 0.278 4.633 4.350 0.008 0.000 0.326 22 T C -0.100 174.625 174.700 0.041 0.000 1.080 22 T CA -0.474 61.661 62.100 0.057 0.000 1.000 22 T CB -0.017 68.846 68.868 -0.007 0.000 1.008 22 T HN 0.818 nan 8.240 nan 0.000 0.473 23 N N 0.765 119.534 118.700 0.114 0.000 1.245 23 N HA -0.247 4.498 4.740 0.008 0.000 0.143 23 N C 0.769 176.294 175.510 0.025 0.000 0.849 23 N CA 1.093 54.250 53.050 0.178 0.000 0.956 23 N CB -1.077 37.503 38.487 0.155 0.000 1.198 23 N HN 0.564 nan 8.380 nan 0.000 0.541 24 C N 1.116 120.463 119.300 0.079 0.000 2.514 24 C HA 0.114 4.579 4.460 0.008 0.000 0.271 24 C C 0.377 175.203 174.990 -0.274 0.000 1.399 24 C CA -0.019 58.970 59.018 -0.048 0.000 1.765 24 C CB -1.194 26.627 27.740 0.135 0.000 1.893 24 C HN 0.355 nan 8.230 nan 0.000 0.531 25 D N 1.094 121.396 120.400 -0.165 0.000 2.348 25 D HA 0.254 4.899 4.640 0.008 0.000 0.249 25 D C -2.520 173.710 176.300 -0.117 0.000 1.110 25 D CA -1.128 52.769 54.000 -0.172 0.000 0.967 25 D CB 0.165 40.948 40.800 -0.029 0.000 1.139 25 D HN 0.011 nan 8.370 nan 0.000 0.466 26 P HA -0.018 nan 4.420 nan 0.000 0.268 26 P C 0.039 177.386 177.300 0.079 0.000 1.205 26 P CA 0.135 63.170 63.100 -0.109 0.000 0.771 26 P CB 0.366 31.846 31.700 -0.365 0.000 0.858 27 H N 2.566 121.628 119.070 -0.013 0.000 2.790 27 H HA -0.027 4.534 4.556 0.008 0.000 0.358 27 H C 1.263 176.679 175.328 0.147 0.000 1.103 27 H CA 0.358 56.442 56.048 0.060 0.000 1.426 27 H CB 0.805 30.588 29.762 0.035 0.000 1.424 27 H HN 0.449 nan 8.280 nan 0.000 0.599 28 E N 2.637 122.775 120.200 -0.104 0.000 2.208 28 E HA -0.224 4.131 4.350 0.008 0.000 0.202 28 E C 1.116 177.917 176.600 0.336 0.000 1.014 28 E CA 2.003 58.503 56.400 0.166 0.000 0.819 28 E CB 0.005 29.682 29.700 -0.039 0.000 0.735 28 E HN 0.680 nan 8.360 nan 0.000 0.469 29 D N -0.162 120.576 120.400 0.564 0.000 2.190 29 D HA -0.171 4.474 4.640 0.008 0.000 0.200 29 D C 1.409 177.840 176.300 0.219 0.000 0.992 29 D CA 0.984 55.182 54.000 0.329 0.000 0.854 29 D CB -0.327 40.604 40.800 0.219 0.000 0.936 29 D HN 0.329 nan 8.370 nan 0.000 0.462 30 N N -0.423 118.368 118.700 0.152 0.000 2.270 30 N HA -0.086 4.659 4.740 0.008 0.000 0.181 30 N C 1.676 177.097 175.510 -0.148 0.000 1.016 30 N CA 0.454 53.493 53.050 -0.019 0.000 0.870 30 N CB -0.230 38.147 38.487 -0.183 0.000 0.979 30 N HN 0.224 nan 8.380 nan 0.000 0.431 31 F N 1.315 121.279 119.950 0.024 0.000 2.206 31 F HA 0.060 4.592 4.527 0.008 0.000 0.298 31 F C 2.595 178.393 175.800 -0.003 0.000 1.090 31 F CA 0.818 58.805 58.000 -0.023 0.000 1.323 31 F CB -0.790 38.191 39.000 -0.032 0.000 1.028 31 F HN 0.039 nan 8.300 nan 0.000 0.492 32 G N -0.272 108.650 108.800 0.203 0.000 2.422 32 G HA2 -0.219 3.746 3.960 0.008 0.000 0.218 32 G HA3 -0.219 3.746 3.960 0.008 0.000 0.218 32 G C 1.644 176.662 174.900 0.196 0.000 1.146 32 G CA 0.603 45.795 45.100 0.154 0.000 0.769 32 G HN 0.242 nan 8.290 nan 0.000 0.547 33 L N 0.519 121.869 121.223 0.211 0.000 2.056 33 L HA 0.134 4.479 4.340 0.008 0.000 0.207 33 L C 2.733 179.744 176.870 0.235 0.000 1.078 33 L CA 1.626 56.648 54.840 0.303 0.000 0.749 33 L CB -0.501 41.733 42.059 0.291 0.000 0.901 33 L HN 0.202 nan 8.230 nan 0.000 0.433 34 R N 0.146 120.584 120.500 -0.104 0.000 2.120 34 R HA -0.063 4.282 4.340 0.008 0.000 0.234 34 R C 2.032 178.288 176.300 -0.074 0.000 1.123 34 R CA 1.477 57.315 56.100 -0.438 0.000 0.975 34 R CB -0.800 29.231 30.300 -0.448 0.000 0.866 34 R HN 0.379 nan 8.270 nan 0.000 0.446 35 A N -0.231 122.589 122.820 0.000 0.000 2.125 35 A HA -0.144 4.182 4.320 0.008 0.000 0.219 35 A C 1.354 178.899 177.584 -0.065 0.000 1.156 35 A CA 1.359 53.375 52.037 -0.034 0.000 0.671 35 A CB -0.758 18.197 19.000 -0.074 0.000 0.794 35 A HN 0.492 nan 8.150 nan 0.000 0.459 36 H N -0.760 118.359 119.070 0.081 0.000 2.551 36 H HA 0.289 4.850 4.556 0.008 0.000 0.266 36 H C 1.108 176.509 175.328 0.120 0.000 0.977 36 H CA 0.953 57.058 56.048 0.095 0.000 1.163 36 H CB 0.186 30.010 29.762 0.103 0.000 1.381 36 H HN 0.615 nan 8.280 nan 0.000 0.581 37 G N 0.083 109.029 108.800 0.242 0.000 2.334 37 G HA2 -0.119 3.846 3.960 0.008 0.000 0.566 37 G HA3 -0.119 3.846 3.960 0.008 0.000 0.566 37 G C -2.307 172.774 174.900 0.302 0.000 1.413 37 G CA -0.832 44.396 45.100 0.215 0.000 0.993 37 G HN -0.187 nan 8.290 nan 0.000 0.642 38 P HA 0.093 nan 4.420 nan 0.000 0.220 38 P C 0.697 178.133 177.300 0.226 0.000 1.148 38 P CA 0.886 64.139 63.100 0.255 0.000 0.803 38 P CB 0.289 32.071 31.700 0.136 0.000 0.782 39 L N -0.156 121.164 121.223 0.162 0.000 2.404 39 L HA 0.373 4.718 4.340 0.008 0.000 0.272 39 L C -0.338 176.648 176.870 0.192 0.000 0.980 39 L CA -0.997 53.916 54.840 0.123 0.000 0.836 39 L CB 2.205 44.334 42.059 0.118 0.000 1.238 39 L HN -0.271 nan 8.230 nan 0.000 0.408 40 V N 1.301 121.279 119.914 0.106 0.000 3.155 40 V HA 0.688 4.813 4.120 0.008 0.000 0.313 40 V C -0.716 175.387 176.094 0.015 0.000 1.162 40 V CA -1.037 61.306 62.300 0.072 0.000 1.048 40 V CB 2.308 34.145 31.823 0.023 0.000 1.092 40 V HN 0.713 nan 8.190 nan 0.000 0.447 41 R N 1.377 121.768 120.500 -0.182 0.000 2.599 41 R HA 0.817 5.162 4.340 0.008 0.000 0.295 41 R C -0.944 175.234 176.300 -0.204 0.000 0.963 41 R CA -0.567 55.343 56.100 -0.315 0.000 0.883 41 R CB 2.044 31.883 30.300 -0.767 0.000 1.171 41 R HN 0.938 nan 8.270 nan 0.000 0.450 42 I N -1.402 119.095 120.570 -0.121 0.000 2.689 42 I HA 0.666 4.841 4.170 0.008 0.000 0.299 42 I C -0.807 175.241 176.117 -0.116 0.000 1.059 42 I CA -1.282 59.917 61.300 -0.169 0.000 1.055 42 I CB 2.314 40.150 38.000 -0.274 0.000 1.243 42 I HN 0.159 nan 8.210 nan 0.000 0.425 43 V N 4.436 124.265 119.914 -0.141 0.000 2.531 43 V HA 0.973 5.098 4.120 0.008 0.000 0.301 43 V C 0.418 176.434 176.094 -0.131 0.000 1.034 43 V CA 0.248 62.490 62.300 -0.096 0.000 0.865 43 V CB 0.707 32.487 31.823 -0.070 0.000 0.995 43 V HN 1.248 nan 8.190 nan 0.000 0.424 44 G N 3.184 111.915 108.800 -0.116 0.000 2.441 44 G HA2 0.168 4.133 3.960 0.008 0.000 0.225 44 G HA3 0.168 4.133 3.960 0.008 0.000 0.225 44 G C 0.545 175.396 174.900 -0.082 0.000 1.200 44 G CA 0.311 45.344 45.100 -0.111 0.000 0.947 44 G HN 0.578 nan 8.290 nan 0.000 0.484 45 E N 0.558 120.719 120.200 -0.066 0.000 2.085 45 E HA -0.128 4.227 4.350 0.008 0.000 0.194 45 E C 2.169 178.750 176.600 -0.032 0.000 0.994 45 E CA 2.168 58.547 56.400 -0.034 0.000 0.801 45 E CB -0.386 29.310 29.700 -0.007 0.000 0.743 45 E HN 0.265 nan 8.360 nan 0.000 0.453 46 S N 0.762 116.443 115.700 -0.030 0.000 2.359 46 S HA -0.177 4.298 4.470 0.008 0.000 0.224 46 S C 2.219 176.777 174.600 -0.069 0.000 1.035 46 S CA 1.730 59.920 58.200 -0.017 0.000 1.018 46 S CB -0.331 62.888 63.200 0.032 0.000 0.876 46 S HN 0.571 nan 8.310 nan 0.000 0.448 47 S N 1.062 116.712 115.700 -0.083 0.000 2.383 47 S HA -0.098 4.377 4.470 0.008 0.000 0.227 47 S C 1.908 176.458 174.600 -0.083 0.000 1.026 47 S CA 1.496 59.638 58.200 -0.096 0.000 0.981 47 S CB -1.103 62.046 63.200 -0.084 0.000 0.818 47 S HN 0.459 nan 8.310 nan 0.000 0.472 48 T N 2.008 116.524 114.554 -0.063 0.000 2.708 48 T HA -0.120 4.235 4.350 0.008 0.000 0.266 48 T C 1.942 176.612 174.700 -0.051 0.000 1.037 48 T CA 1.728 63.798 62.100 -0.048 0.000 1.146 48 T CB -0.531 68.315 68.868 -0.037 0.000 0.865 48 T HN 0.408 nan 8.240 nan 0.000 0.435 49 Q N 0.789 120.556 119.800 -0.055 0.000 2.181 49 Q HA 0.035 4.380 4.340 0.008 0.000 0.205 49 Q C 1.717 177.663 176.000 -0.089 0.000 0.980 49 Q CA 1.364 57.134 55.803 -0.054 0.000 0.862 49 Q CB -0.564 28.148 28.738 -0.043 0.000 0.905 49 Q HN 0.518 nan 8.270 nan 0.000 0.429 50 L N -1.299 119.838 121.223 -0.144 0.000 2.592 50 L HA 0.274 4.619 4.340 0.008 0.000 0.227 50 L C 0.925 177.737 176.870 -0.097 0.000 1.127 50 L CA 0.239 54.941 54.840 -0.231 0.000 0.884 50 L CB -0.140 41.625 42.059 -0.489 0.000 1.065 50 L HN 0.405 nan 8.230 nan 0.000 0.457 51 G N 1.031 109.796 108.800 -0.057 0.000 2.272 51 G HA2 -0.230 3.735 3.960 0.008 0.000 0.280 51 G HA3 -0.230 3.735 3.960 0.008 0.000 0.280 51 G C 0.028 174.917 174.900 -0.019 0.000 1.067 51 G CA -0.044 45.043 45.100 -0.022 0.000 0.902 51 G HN 0.231 nan 8.290 nan 0.000 0.500 52 R N -1.011 119.459 120.500 -0.050 0.000 2.867 52 R HA 0.440 4.785 4.340 0.008 0.000 0.268 52 R C 0.230 176.481 176.300 -0.083 0.000 1.014 52 R CA -0.903 55.146 56.100 -0.086 0.000 0.946 52 R CB 0.852 31.060 30.300 -0.154 0.000 1.208 52 R HN 0.021 nan 8.270 nan 0.000 0.477 53 D N 0.356 120.713 120.400 -0.071 0.000 2.277 53 D HA 0.059 4.704 4.640 0.008 0.000 0.208 53 D C 0.360 176.710 176.300 0.083 0.000 0.962 53 D CA 1.335 55.349 54.000 0.024 0.000 0.865 53 D CB 0.161 41.023 40.800 0.103 0.000 0.939 53 D HN 0.351 nan 8.370 nan 0.000 0.510 54 F N -1.422 118.469 119.950 -0.100 0.000 2.773 54 F HA 0.482 5.014 4.527 0.009 0.000 0.314 54 F C -1.614 174.104 175.800 -0.136 0.000 1.160 54 F CA -1.578 56.327 58.000 -0.158 0.000 0.920 54 F CB 0.946 39.799 39.000 -0.245 0.000 1.323 54 F HN -0.249 nan 8.300 nan 0.000 0.457 55 V N -1.809 118.029 119.914 -0.127 0.000 2.962 55 V HA 0.660 4.785 4.120 0.008 0.000 0.313 55 V C -1.446 174.703 176.094 0.093 0.000 1.099 55 V CA -1.232 60.985 62.300 -0.139 0.000 0.971 55 V CB 1.577 33.386 31.823 -0.024 0.000 1.028 55 V HN 0.964 nan 8.190 nan 0.000 0.430 56 W N 1.226 122.641 121.300 0.191 0.000 2.237 56 W HA 0.678 5.343 4.660 0.008 0.000 0.335 56 W C 0.298 176.848 176.519 0.051 0.000 1.230 56 W CA 0.259 57.705 57.345 0.168 0.000 1.253 56 W CB 0.901 30.451 29.460 0.149 0.000 1.129 56 W HN 0.836 nan 8.180 nan 0.000 0.590 57 Q N 1.884 121.819 119.800 0.225 0.000 2.290 57 Q HA 0.631 4.976 4.340 0.008 0.000 0.269 57 Q C -1.191 174.746 176.000 -0.107 0.000 1.016 57 Q CA -0.631 55.202 55.803 0.049 0.000 0.754 57 Q CB 1.461 30.195 28.738 -0.007 0.000 1.247 57 Q HN 0.549 nan 8.270 nan 0.000 0.451 58 A N 4.225 127.017 122.820 -0.046 0.000 2.276 58 A HA 0.397 4.722 4.320 0.008 0.000 0.300 58 A C -0.354 177.233 177.584 0.004 0.000 1.235 58 A CA -0.279 51.728 52.037 -0.050 0.000 0.867 58 A CB -0.258 18.715 19.000 -0.045 0.000 1.137 58 A HN 1.024 nan 8.150 nan 0.000 0.527 59 H N 1.549 120.650 119.070 0.051 0.000 3.182 59 H HA 0.371 4.932 4.556 0.008 0.000 0.254 59 H C 0.515 175.861 175.328 0.030 0.000 1.197 59 H CA -0.126 55.938 56.048 0.027 0.000 1.061 59 H CB 0.388 30.166 29.762 0.027 0.000 1.722 59 H HN 0.665 nan 8.280 nan 0.000 0.662 60 G N 0.320 109.265 108.800 0.242 0.000 2.437 60 G HA2 0.127 4.092 3.960 0.008 0.000 0.319 60 G HA3 0.127 4.092 3.960 0.008 0.000 0.319 60 G C -0.041 174.934 174.900 0.124 0.000 1.158 60 G CA -0.642 44.553 45.100 0.159 0.000 0.899 60 G HN 0.285 nan 8.290 nan 0.000 0.502 61 Y N 0.379 120.696 120.300 0.027 0.000 2.097 61 Y HA -0.180 4.375 4.550 0.008 0.000 0.282 61 Y C 2.597 178.496 175.900 -0.002 0.000 1.152 61 Y CA 2.517 60.621 58.100 0.008 0.000 1.136 61 Y CB 0.122 38.583 38.460 0.002 0.000 0.975 61 Y HN 0.520 nan 8.280 nan 0.000 0.498 62 E N 0.060 120.149 120.200 -0.184 0.000 2.085 62 E HA -0.175 4.180 4.350 0.008 0.000 0.194 62 E C 2.441 178.908 176.600 -0.221 0.000 0.994 62 E CA 1.992 58.223 56.400 -0.281 0.000 0.801 62 E CB -0.996 28.670 29.700 -0.058 0.000 0.743 62 E HN 0.585 nan 8.360 nan 0.000 0.453 63 V N -1.075 118.773 119.914 -0.109 0.000 2.548 63 V HA -0.116 4.009 4.120 0.008 0.000 0.249 63 V C 2.429 178.455 176.094 -0.113 0.000 1.055 63 V CA 1.036 63.283 62.300 -0.088 0.000 1.065 63 V CB -0.792 31.006 31.823 -0.041 0.000 0.681 63 V HN -0.027 nan 8.190 nan 0.000 0.462 64 V N 0.579 120.423 119.914 -0.117 0.000 2.358 64 V HA -0.167 3.958 4.120 0.008 0.000 0.246 64 V C 2.864 178.880 176.094 -0.131 0.000 1.047 64 V CA 2.478 64.716 62.300 -0.102 0.000 1.035 64 V CB -0.824 30.970 31.823 -0.049 0.000 0.658 64 V HN 0.584 nan 8.190 nan 0.000 0.452 65 R N 0.089 120.434 120.500 -0.258 0.000 2.081 65 R HA -0.196 4.149 4.340 0.008 0.000 0.235 65 R C 2.523 178.776 176.300 -0.079 0.000 1.131 65 R CA 1.909 57.847 56.100 -0.270 0.000 0.960 65 R CB -0.292 29.634 30.300 -0.623 0.000 0.856 65 R HN 0.399 nan 8.270 nan 0.000 0.436 66 R N 0.390 120.825 120.500 -0.109 0.000 2.070 66 R HA -0.125 4.220 4.340 0.008 0.000 0.233 66 R C 2.273 178.585 176.300 0.019 0.000 1.137 66 R CA 2.013 58.104 56.100 -0.016 0.000 0.945 66 R CB -0.325 29.952 30.300 -0.039 0.000 0.845 66 R HN 0.288 nan 8.270 nan 0.000 0.430 67 I N 0.834 121.364 120.570 -0.068 0.000 2.252 67 I HA -0.289 3.886 4.170 0.008 0.000 0.245 67 I C 2.273 178.298 176.117 -0.154 0.000 1.102 67 I CA 1.011 62.194 61.300 -0.196 0.000 1.385 67 I CB -0.174 37.593 38.000 -0.389 0.000 1.064 67 I HN 0.260 nan 8.210 nan 0.000 0.414 68 L N 0.325 121.514 121.223 -0.057 0.000 2.042 68 L HA -0.177 4.168 4.340 0.008 0.000 0.210 68 L C 2.441 179.366 176.870 0.091 0.000 1.076 68 L CA 1.686 56.538 54.840 0.019 0.000 0.749 68 L CB -0.929 41.177 42.059 0.079 0.000 0.893 68 L HN 0.346 nan 8.230 nan 0.000 0.432 69 G N -1.824 107.061 108.800 0.142 0.000 2.813 69 G HA2 -0.148 3.817 3.960 0.008 0.000 0.209 69 G HA3 -0.148 3.817 3.960 0.008 0.000 0.209 69 G C 0.375 175.327 174.900 0.088 0.000 1.150 69 G CA -0.161 44.989 45.100 0.083 0.000 0.785 69 G HN 0.183 nan 8.290 nan 0.000 0.535 70 D N 0.939 121.415 120.400 0.126 0.000 2.374 70 D HA 0.110 4.755 4.640 0.008 0.000 0.240 70 D C 0.884 177.309 176.300 0.209 0.000 1.229 70 D CA -0.527 53.568 54.000 0.158 0.000 0.895 70 D CB 0.377 41.403 40.800 0.378 0.000 1.046 70 D HN 0.558 nan 8.370 nan 0.000 0.498 71 H N 1.224 120.357 119.070 0.105 0.000 2.549 71 H HA 0.258 4.819 4.556 0.009 0.000 0.279 71 H C 1.185 176.506 175.328 -0.012 0.000 1.018 71 H CA -0.204 55.884 56.048 0.068 0.000 1.175 71 H CB 0.274 30.037 29.762 0.001 0.000 1.485 71 H HN 0.428 nan 8.280 nan 0.000 0.543 72 E N 0.775 120.817 120.200 -0.263 0.000 2.060 72 E HA -0.114 4.241 4.350 0.008 0.000 0.189 72 E C 0.852 177.183 176.600 -0.447 0.000 0.974 72 E CA 0.680 56.848 56.400 -0.386 0.000 0.808 72 E CB 0.101 29.432 29.700 -0.615 0.000 0.768 72 E HN 0.759 nan 8.360 nan 0.000 0.453 73 H N -1.823 117.113 119.070 -0.224 0.000 2.592 73 H HA 0.237 4.798 4.556 0.008 0.000 0.265 73 H C -0.584 174.265 175.328 -0.800 0.000 0.955 73 H CA 0.009 55.733 56.048 -0.540 0.000 1.175 73 H CB 0.427 29.734 29.762 -0.760 0.000 1.433 73 H HN -0.016 nan 8.280 nan 0.000 0.537 74 F N -0.621 119.357 119.950 0.045 0.000 2.576 74 F HA 0.444 4.976 4.527 0.008 0.000 0.313 74 F C 0.293 176.104 175.800 0.018 0.000 1.078 74 F CA -1.089 56.922 58.000 0.017 0.000 0.921 74 F CB 2.193 41.209 39.000 0.027 0.000 1.232 74 F HN -0.250 nan 8.300 nan 0.000 0.459 75 T N -1.012 113.653 114.554 0.185 0.000 2.924 75 T HA 0.517 4.873 4.350 0.008 0.000 0.291 75 T C 0.217 174.965 174.700 0.081 0.000 1.045 75 T CA -0.235 61.925 62.100 0.100 0.000 1.015 75 T CB 1.396 70.270 68.868 0.009 0.000 1.103 75 T HN 0.779 nan 8.240 nan 0.000 0.496 76 T N 0.281 114.864 114.554 0.049 0.000 3.145 76 T HA 0.391 4.746 4.350 0.008 0.000 0.281 76 T C 0.530 175.199 174.700 -0.051 0.000 1.003 76 T CA -0.575 61.523 62.100 -0.003 0.000 0.901 76 T CB 0.045 68.869 68.868 -0.074 0.000 1.112 76 T HN 0.378 nan 8.240 nan 0.000 0.535 77 R N 2.846 123.303 120.500 -0.071 0.000 2.491 77 R HA 0.315 4.660 4.340 0.008 0.000 0.283 77 R C -2.689 173.412 176.300 -0.332 0.000 1.072 77 R CA -1.636 54.364 56.100 -0.168 0.000 1.048 77 R CB 0.056 30.270 30.300 -0.143 0.000 0.983 77 R HN 0.253 nan 8.270 nan 0.000 0.450 78 P HA 0.044 nan 4.420 nan 0.000 0.272 78 P C -0.725 175.897 177.300 -1.130 0.000 1.223 78 P CA -0.093 62.542 63.100 -0.774 0.000 0.784 78 P CB 0.638 31.671 31.700 -1.111 0.000 0.923 79 Q N 2.369 121.716 119.800 -0.754 0.000 2.400 79 Q HA 0.361 4.706 4.340 0.008 0.000 0.255 79 Q C -0.484 175.198 176.000 -0.529 0.000 1.008 79 Q CA -0.186 55.222 55.803 -0.658 0.000 0.841 79 Q CB 0.338 28.924 28.738 -0.252 0.000 1.220 79 Q HN 0.383 nan 8.270 nan 0.000 0.474 91 A N 1.535 124.292 122.820 -0.105 0.000 2.121 91 A HA -0.182 4.143 4.320 0.008 0.000 0.218 91 A C 2.092 179.690 177.584 0.024 0.000 1.154 91 A CA 1.632 53.659 52.037 -0.017 0.000 0.679 91 A CB -0.659 18.323 19.000 -0.031 0.000 0.795 91 A HN 0.487 nan 8.150 nan 0.000 0.458 92 Q N -1.767 118.043 119.800 0.017 0.000 2.435 92 Q HA -0.011 4.334 4.340 0.008 0.000 0.207 92 Q C 0.652 176.524 176.000 -0.215 0.000 0.956 92 Q CA 1.057 56.799 55.803 -0.102 0.000 0.917 92 Q CB -0.230 28.407 28.738 -0.167 0.000 0.997 92 Q HN 0.579 nan 8.270 nan 0.000 0.497 93 F N 0.214 120.214 119.950 0.082 0.000 2.695 93 F HA 0.251 4.784 4.527 0.010 0.000 0.303 93 F C 0.262 176.191 175.800 0.214 0.000 1.091 93 F CA -0.587 57.505 58.000 0.154 0.000 1.300 93 F CB 0.863 39.996 39.000 0.222 0.000 1.071 93 F HN -0.184 nan 8.300 nan 0.000 0.578 94 V N 1.175 121.259 119.914 0.283 0.000 2.617 94 V HA 0.183 4.308 4.120 0.008 0.000 0.304 94 V C 1.363 177.600 176.094 0.238 0.000 1.040 94 V CA 1.244 63.718 62.300 0.289 0.000 1.149 94 V CB -0.018 31.901 31.823 0.159 0.000 0.914 94 V HN 0.686 nan 8.190 nan 0.000 0.487 95 G N 3.638 112.580 108.800 0.236 0.000 2.184 95 G HA2 -0.234 3.732 3.960 0.008 0.000 0.264 95 G HA3 -0.234 3.732 3.960 0.008 0.000 0.264 95 G C 0.333 175.180 174.900 -0.088 0.000 0.975 95 G CA 0.008 45.091 45.100 -0.029 0.000 0.642 95 G HN 0.629 nan 8.290 nan 0.000 0.536 96 Q N 0.281 120.136 119.800 0.092 0.000 2.664 96 Q HA 0.387 4.732 4.340 0.008 0.000 0.223 96 Q C 1.777 177.810 176.000 0.055 0.000 1.298 96 Q CA -0.133 55.740 55.803 0.118 0.000 0.965 96 Q CB 0.156 29.069 28.738 0.292 0.000 1.510 96 Q HN 0.678 nan 8.270 nan 0.000 0.567 97 I N 1.322 121.808 120.570 -0.140 0.000 2.236 97 I HA -0.415 3.760 4.170 0.008 0.000 0.249 97 I C 1.912 178.164 176.117 0.225 0.000 1.102 97 I CA 1.913 63.136 61.300 -0.129 0.000 1.365 97 I CB 0.187 38.123 38.000 -0.107 0.000 1.051 97 I HN 0.464 nan 8.210 nan 0.000 0.420 98 S N -0.917 114.867 115.700 0.140 0.000 2.447 98 S HA -0.163 4.312 4.470 0.008 0.000 0.233 98 S C 1.756 176.306 174.600 -0.084 0.000 1.006 98 S CA 1.280 59.472 58.200 -0.014 0.000 0.957 98 S CB -1.016 62.134 63.200 -0.083 0.000 0.773 98 S HN 0.683 nan 8.310 nan 0.000 0.507 99 T N -2.277 112.382 114.554 0.174 0.000 3.086 99 T HA 0.319 4.674 4.350 0.008 0.000 0.250 99 T C 0.159 175.051 174.700 0.320 0.000 1.074 99 T CA -0.641 61.566 62.100 0.179 0.000 0.988 99 T CB -0.567 68.407 68.868 0.176 0.000 0.988 99 T HN 0.478 nan 8.240 nan 0.000 0.530 100 Y N 1.499 121.919 120.300 0.199 0.000 2.352 100 Y HA 0.507 5.062 4.550 0.008 0.000 0.326 100 Y C 0.249 176.290 175.900 0.235 0.000 1.166 100 Y CA -1.474 56.757 58.100 0.218 0.000 1.182 100 Y CB 0.990 39.602 38.460 0.255 0.000 1.216 100 Y HN 0.150 nan 8.280 nan 0.000 0.474 101 D N 2.792 123.342 120.400 0.250 0.000 2.392 101 D HA 0.334 4.979 4.640 0.008 0.000 0.246 101 D C -2.648 173.727 176.300 0.125 0.000 1.013 101 D CA -1.763 52.323 54.000 0.143 0.000 0.993 101 D CB 1.425 42.275 40.800 0.083 0.000 1.219 101 D HN 0.156 nan 8.370 nan 0.000 0.538 102 P HA 0.132 nan 4.420 nan 0.000 0.272 102 P C -1.657 175.661 177.300 0.030 0.000 1.223 102 P CA -0.815 62.290 63.100 0.008 0.000 0.784 102 P CB 0.335 31.958 31.700 -0.128 0.000 0.923 103 P HA -0.010 nan 4.420 nan 0.000 0.235 103 P C 0.661 178.008 177.300 0.078 0.000 1.177 103 P CA 0.990 64.114 63.100 0.040 0.000 0.785 103 P CB 0.353 32.069 31.700 0.027 0.000 0.885 104 E N -0.494 119.778 120.200 0.120 0.000 2.110 104 E HA -0.212 4.143 4.350 0.008 0.000 0.193 104 E C 2.209 179.001 176.600 0.319 0.000 0.988 104 E CA 0.958 57.488 56.400 0.217 0.000 0.804 104 E CB -1.169 28.645 29.700 0.190 0.000 0.745 104 E HN 0.472 nan 8.360 nan 0.000 0.458 105 H N 0.440 119.655 119.070 0.241 0.000 2.352 105 H HA -0.094 4.467 4.556 0.008 0.000 0.299 105 H C 1.430 176.760 175.328 0.003 0.000 1.097 105 H CA 1.976 58.107 56.048 0.139 0.000 1.311 105 H CB 0.088 29.886 29.762 0.060 0.000 1.377 105 H HN 0.157 nan 8.280 nan 0.000 0.504 106 T N 1.013 115.523 114.554 -0.073 0.000 2.759 106 T HA -0.169 4.186 4.350 0.008 0.000 0.269 106 T C 2.129 176.746 174.700 -0.139 0.000 1.042 106 T CA 1.594 63.625 62.100 -0.114 0.000 1.140 106 T CB -0.201 68.655 68.868 -0.021 0.000 0.864 106 T HN 0.396 nan 8.240 nan 0.000 0.455 107 R N 0.731 121.183 120.500 -0.081 0.000 2.075 107 R HA 0.045 4.390 4.340 0.008 0.000 0.232 107 R C 2.342 178.554 176.300 -0.148 0.000 1.126 107 R CA 1.061 57.119 56.100 -0.071 0.000 0.963 107 R CB -0.379 29.914 30.300 -0.011 0.000 0.858 107 R HN 0.353 nan 8.270 nan 0.000 0.435 108 L N 0.225 121.326 121.223 -0.202 0.000 2.093 108 L HA -0.083 4.262 4.340 0.008 0.000 0.208 108 L C 2.755 179.460 176.870 -0.274 0.000 1.085 108 L CA 1.086 55.769 54.840 -0.261 0.000 0.755 108 L CB -0.408 41.431 42.059 -0.367 0.000 0.904 108 L HN 0.184 nan 8.230 nan 0.000 0.435 109 R N 1.117 121.389 120.500 -0.379 0.000 2.081 109 R HA -0.160 4.185 4.340 0.008 0.000 0.235 109 R C 2.112 178.322 176.300 -0.150 0.000 1.131 109 R CA 1.612 57.525 56.100 -0.311 0.000 0.960 109 R CB -0.206 29.830 30.300 -0.441 0.000 0.856 109 R HN 0.177 nan 8.270 nan 0.000 0.436 110 K N -0.486 119.835 120.400 -0.131 0.000 2.283 110 K HA -0.056 4.269 4.320 0.008 0.000 0.202 110 K C 1.943 178.519 176.600 -0.040 0.000 1.048 110 K CA 1.495 57.751 56.287 -0.051 0.000 0.948 110 K CB -0.030 32.458 32.500 -0.020 0.000 0.742 110 K HN 0.274 nan 8.250 nan 0.000 0.458 111 M N 0.138 119.653 119.600 -0.141 0.000 2.349 111 M HA -0.067 4.418 4.480 0.008 0.000 0.266 111 M C 1.803 178.076 176.300 -0.044 0.000 1.076 111 M CA 1.192 56.369 55.300 -0.206 0.000 1.126 111 M CB 0.025 32.395 32.600 -0.384 0.000 1.392 111 M HN 0.104 nan 8.290 nan 0.000 0.440 112 L N -1.032 120.188 121.223 -0.005 0.000 2.127 112 L HA -0.080 4.265 4.340 0.008 0.000 0.203 112 L C 2.441 179.449 176.870 0.230 0.000 1.080 112 L CA 0.934 55.851 54.840 0.129 0.000 0.768 112 L CB -1.019 41.103 42.059 0.104 0.000 0.924 112 L HN 0.227 nan 8.230 nan 0.000 0.444 113 T N 0.698 115.331 114.554 0.131 0.000 2.624 113 T HA -0.201 4.154 4.350 0.008 0.000 0.266 113 T C -0.458 174.331 174.700 0.148 0.000 1.050 113 T CA 2.221 64.402 62.100 0.135 0.000 1.163 113 T CB -1.306 67.600 68.868 0.063 0.000 0.861 113 T HN 0.230 nan 8.240 nan 0.000 0.443 114 P HA -0.034 nan 4.420 nan 0.000 0.221 114 P C 0.976 178.294 177.300 0.030 0.000 1.145 114 P CA 1.088 64.227 63.100 0.064 0.000 0.795 114 P CB -0.045 31.692 31.700 0.062 0.000 0.775 115 E N -2.599 117.611 120.200 0.016 0.000 2.474 115 E HA 0.104 4.459 4.350 0.008 0.000 0.194 115 E C 0.577 176.969 176.600 -0.346 0.000 1.041 115 E CA 0.335 56.635 56.400 -0.167 0.000 0.874 115 E CB -0.389 29.161 29.700 -0.250 0.000 0.914 115 E HN 0.292 nan 8.360 nan 0.000 0.498 116 F N 0.479 120.429 119.950 -0.000 0.000 2.668 116 F HA 0.144 4.676 4.527 0.008 0.000 0.301 116 F C 0.741 176.539 175.800 -0.003 0.000 1.106 116 F CA -0.400 57.599 58.000 -0.002 0.000 1.289 116 F CB 0.175 39.174 39.000 -0.002 0.000 1.006 116 F HN -0.186 nan 8.300 nan 0.000 0.535 117 T N -2.939 111.677 114.554 0.104 0.000 2.860 117 T HA 0.135 4.490 4.350 0.008 0.000 0.299 117 T C 1.464 176.193 174.700 0.047 0.000 1.045 117 T CA -0.501 61.641 62.100 0.070 0.000 1.071 117 T CB 1.531 70.423 68.868 0.039 0.000 0.985 117 T HN -0.072 nan 8.240 nan 0.000 0.537 118 V N 1.957 121.895 119.914 0.040 0.000 2.490 118 V HA -0.141 3.984 4.120 0.008 0.000 0.250 118 V C 3.029 179.133 176.094 0.017 0.000 1.061 118 V CA 1.712 64.031 62.300 0.030 0.000 1.064 118 V CB -0.938 30.901 31.823 0.027 0.000 0.670 118 V HN 0.831 nan 8.190 nan 0.000 0.461 119 R N -0.322 120.185 120.500 0.012 0.000 2.083 119 R HA -0.134 4.212 4.340 0.008 0.000 0.237 119 R C 2.620 178.916 176.300 -0.006 0.000 1.137 119 R CA 1.411 57.513 56.100 0.004 0.000 0.951 119 R CB -0.292 30.009 30.300 0.002 0.000 0.851 119 R HN 0.413 nan 8.270 nan 0.000 0.434 120 R N 0.439 120.930 120.500 -0.015 0.000 2.075 120 R HA -0.058 4.287 4.340 0.008 0.000 0.232 120 R C 2.308 178.585 176.300 -0.039 0.000 1.126 120 R CA 1.110 57.187 56.100 -0.039 0.000 0.963 120 R CB -0.510 29.747 30.300 -0.071 0.000 0.858 120 R HN 0.299 nan 8.270 nan 0.000 0.435 121 I N 0.771 121.329 120.570 -0.021 0.000 2.179 121 I HA -0.280 3.895 4.170 0.008 0.000 0.242 121 I C 2.596 178.713 176.117 -0.001 0.000 1.088 121 I CA 1.327 62.622 61.300 -0.008 0.000 1.357 121 I CB -0.302 37.712 38.000 0.022 0.000 1.051 121 I HN 0.093 nan 8.210 nan 0.000 0.409 122 R N 0.360 120.863 120.500 0.004 0.000 2.117 122 R HA -0.144 4.201 4.340 0.008 0.000 0.243 122 R C 2.258 178.559 176.300 0.001 0.000 1.143 122 R CA 0.998 57.102 56.100 0.007 0.000 0.968 122 R CB -0.426 29.880 30.300 0.010 0.000 0.863 122 R HN 0.304 nan 8.270 nan 0.000 0.444 123 R N 0.415 120.911 120.500 -0.007 0.000 2.235 123 R HA -0.006 4.339 4.340 0.008 0.000 0.213 123 R C 1.880 178.172 176.300 -0.013 0.000 1.059 123 R CA 0.757 56.851 56.100 -0.010 0.000 0.997 123 R CB -0.218 30.072 30.300 -0.018 0.000 0.884 123 R HN 0.298 nan 8.270 nan 0.000 0.462 124 M N -0.042 119.549 119.600 -0.015 0.000 2.510 124 M HA 0.003 4.489 4.480 0.008 0.000 0.256 124 M C 1.217 177.516 176.300 -0.001 0.000 1.132 124 M CA 0.926 56.218 55.300 -0.015 0.000 1.105 124 M CB 0.306 32.890 32.600 -0.027 0.000 1.375 124 M HN -0.018 nan 8.290 nan 0.000 0.477 125 E N 0.753 120.956 120.200 0.005 0.000 2.097 125 E HA -0.215 4.140 4.350 0.008 0.000 0.196 125 E C -0.979 175.631 176.600 0.017 0.000 1.000 125 E CA 1.477 57.886 56.400 0.015 0.000 0.804 125 E CB -1.108 28.604 29.700 0.019 0.000 0.740 125 E HN 0.478 nan 8.360 nan 0.000 0.454 126 P HA -0.162 nan 4.420 nan 0.000 0.216 126 P C 1.048 178.356 177.300 0.013 0.000 1.153 126 P CA 1.788 64.896 63.100 0.013 0.000 0.848 126 P CB 0.029 31.734 31.700 0.008 0.000 0.787 127 A N -0.789 122.036 122.820 0.009 0.000 1.969 127 A HA -0.138 4.187 4.320 0.008 0.000 0.218 127 A C 2.050 179.643 177.584 0.016 0.000 1.169 127 A CA 1.248 53.290 52.037 0.009 0.000 0.635 127 A CB -1.333 17.669 19.000 0.003 0.000 0.810 127 A HN 0.033 nan 8.150 nan 0.000 0.445 128 I N -0.410 120.171 120.570 0.018 0.000 2.286 128 I HA -0.171 4.004 4.170 0.008 0.000 0.245 128 I C 2.572 178.709 176.117 0.034 0.000 1.104 128 I CA 1.664 62.978 61.300 0.023 0.000 1.397 128 I CB -1.350 36.662 38.000 0.020 0.000 1.072 128 I HN 0.401 nan 8.210 nan 0.000 0.417 129 Q N 0.941 120.763 119.800 0.037 0.000 2.096 129 Q HA -0.194 4.151 4.340 0.008 0.000 0.204 129 Q C 2.503 178.532 176.000 0.048 0.000 0.982 129 Q CA 2.427 58.260 55.803 0.049 0.000 0.850 129 Q CB -0.427 28.336 28.738 0.042 0.000 0.901 129 Q HN 0.382 nan 8.270 nan 0.000 0.422 130 S N -0.972 114.748 115.700 0.032 0.000 2.383 130 S HA -0.109 4.366 4.470 0.008 0.000 0.227 130 S C 1.743 176.359 174.600 0.027 0.000 1.026 130 S CA 1.078 59.293 58.200 0.025 0.000 0.981 130 S CB -0.385 62.823 63.200 0.013 0.000 0.818 130 S HN 0.468 nan 8.310 nan 0.000 0.472 131 L N 1.539 122.778 121.223 0.027 0.000 2.027 131 L HA 0.137 4.482 4.340 0.008 0.000 0.206 131 L C 2.061 178.969 176.870 0.065 0.000 1.074 131 L CA 1.719 56.570 54.840 0.019 0.000 0.745 131 L CB -0.764 41.306 42.059 0.018 0.000 0.898 131 L HN 0.403 nan 8.230 nan 0.000 0.433 132 I N 0.072 120.702 120.570 0.101 0.000 2.163 132 I HA -0.306 3.869 4.170 0.008 0.000 0.243 132 I C 2.116 178.363 176.117 0.217 0.000 1.085 132 I CA 1.560 62.999 61.300 0.231 0.000 1.347 132 I CB -0.601 37.536 38.000 0.228 0.000 1.044 132 I HN 0.325 nan 8.210 nan 0.000 0.408 133 D N 0.812 121.282 120.400 0.116 0.000 2.123 133 D HA -0.188 4.457 4.640 0.008 0.000 0.196 133 D C 1.762 178.094 176.300 0.054 0.000 0.992 133 D CA 1.347 55.386 54.000 0.065 0.000 0.833 133 D CB -0.432 40.388 40.800 0.033 0.000 0.954 133 D HN 0.333 nan 8.370 nan 0.000 0.455 134 D N 0.192 120.622 120.400 0.050 0.000 2.144 134 D HA -0.089 4.556 4.640 0.008 0.000 0.200 134 D C 2.147 178.478 176.300 0.053 0.000 0.978 134 D CA 0.635 54.654 54.000 0.031 0.000 0.833 134 D CB 0.031 40.832 40.800 0.001 0.000 0.961 134 D HN 0.066 nan 8.370 nan 0.000 0.470 135 R N 0.280 120.844 120.500 0.107 0.000 2.115 135 R HA 0.080 4.425 4.340 0.008 0.000 0.226 135 R C 2.494 178.871 176.300 0.128 0.000 1.100 135 R CA 0.187 56.384 56.100 0.162 0.000 0.980 135 R CB -0.886 29.595 30.300 0.301 0.000 0.875 135 R HN 0.305 nan 8.270 nan 0.000 0.445 136 L N 0.862 122.133 121.223 0.081 0.000 2.201 136 L HA -0.141 4.204 4.340 0.008 0.000 0.212 136 L C 1.608 178.500 176.870 0.038 0.000 1.105 136 L CA 1.000 55.816 54.840 -0.039 0.000 0.775 136 L CB -0.410 41.627 42.059 -0.038 0.000 0.913 136 L HN 0.043 nan 8.230 nan 0.000 0.440 137 D N 0.308 120.729 120.400 0.035 0.000 2.144 137 D HA -0.157 4.488 4.640 0.008 0.000 0.199 137 D C 2.375 178.703 176.300 0.047 0.000 0.984 137 D CA 1.176 55.197 54.000 0.035 0.000 0.834 137 D CB -0.049 40.764 40.800 0.021 0.000 0.955 137 D HN 0.290 nan 8.370 nan 0.000 0.465 138 L N -0.007 121.239 121.223 0.039 0.000 2.109 138 L HA -0.118 4.227 4.340 0.008 0.000 0.207 138 L C 2.427 179.319 176.870 0.036 0.000 1.086 138 L CA 0.317 55.181 54.840 0.041 0.000 0.760 138 L CB -0.308 41.775 42.059 0.040 0.000 0.910 138 L HN 0.064 nan 8.230 nan 0.000 0.437 139 L N 0.491 121.703 121.223 -0.018 0.000 2.012 139 L HA -0.256 4.089 4.340 0.008 0.000 0.210 139 L C 2.554 179.417 176.870 -0.012 0.000 1.073 139 L CA 1.905 56.681 54.840 -0.106 0.000 0.748 139 L CB -0.421 41.393 42.059 -0.409 0.000 0.891 139 L HN 0.264 nan 8.230 nan 0.000 0.431 140 E N -0.834 119.387 120.200 0.036 0.000 2.077 140 E HA -0.252 4.103 4.350 0.008 0.000 0.193 140 E C 2.083 178.851 176.600 0.281 0.000 0.989 140 E CA 1.218 57.764 56.400 0.242 0.000 0.800 140 E CB -0.199 29.638 29.700 0.229 0.000 0.746 140 E HN 0.586 nan 8.360 nan 0.000 0.452 141 A N 0.881 123.796 122.820 0.159 0.000 1.902 141 A HA -0.233 4.092 4.320 0.008 0.000 0.217 141 A C 2.073 179.731 177.584 0.125 0.000 1.181 141 A CA 1.812 53.923 52.037 0.123 0.000 0.623 141 A CB -0.637 18.408 19.000 0.075 0.000 0.818 141 A HN 0.365 nan 8.150 nan 0.000 0.443 142 E N -0.567 119.710 120.200 0.127 0.000 2.110 142 E HA 0.197 4.552 4.350 0.008 0.000 0.193 142 E C 1.149 177.813 176.600 0.106 0.000 0.988 142 E CA 1.232 57.693 56.400 0.100 0.000 0.804 142 E CB -0.524 29.228 29.700 0.086 0.000 0.745 142 E HN 1.071 nan 8.360 nan 0.000 0.458 143 G N -0.676 108.260 108.800 0.226 0.000 2.681 143 G HA2 -0.233 3.732 3.960 0.008 0.000 0.220 143 G HA3 -0.233 3.732 3.960 0.008 0.000 0.220 143 G C -2.271 172.475 174.900 -0.258 0.000 1.353 143 G CA -0.489 44.642 45.100 0.051 0.000 0.872 143 G HN 0.241 nan 8.290 nan 0.000 0.557 144 P HA 0.323 nan 4.420 nan 0.000 0.261 144 P C 0.716 177.879 177.300 -0.227 0.000 1.173 144 P CA 1.869 64.672 63.100 -0.495 0.000 0.760 144 P CB 0.782 32.238 31.700 -0.408 0.000 0.783 145 S N 0.312 115.913 115.700 -0.166 0.000 2.659 145 S HA -0.156 4.319 4.470 0.008 0.000 0.264 145 S C 0.619 175.201 174.600 -0.029 0.000 1.310 145 S CA 0.506 58.660 58.200 -0.077 0.000 1.262 145 S CB -1.695 61.462 63.200 -0.072 0.000 1.548 145 S HN 0.845 nan 8.310 nan 0.000 0.657 146 A N 1.637 124.461 122.820 0.006 0.000 2.565 146 A HA 0.316 4.641 4.320 0.008 0.000 0.237 146 A C 0.199 177.795 177.584 0.020 0.000 1.053 146 A CA 0.677 52.740 52.037 0.043 0.000 0.755 146 A CB 0.081 19.154 19.000 0.122 0.000 0.980 146 A HN 0.414 nan 8.150 nan 0.000 0.506 147 D N 2.343 122.750 120.400 0.011 0.000 2.374 147 D HA 0.129 4.774 4.640 0.008 0.000 0.240 147 D C 0.913 177.223 176.300 0.016 0.000 1.229 147 D CA -0.142 53.861 54.000 0.004 0.000 0.895 147 D CB 0.242 41.041 40.800 -0.001 0.000 1.046 147 D HN 0.459 nan 8.370 nan 0.000 0.498 148 L N 3.554 124.784 121.223 0.011 0.000 2.131 148 L HA -0.190 4.155 4.340 0.008 0.000 0.210 148 L C 1.992 178.923 176.870 0.101 0.000 1.092 148 L CA 1.376 56.242 54.840 0.044 0.000 0.759 148 L CB -0.001 42.066 42.059 0.014 0.000 0.903 148 L HN 0.416 nan 8.230 nan 0.000 0.435 149 Q N -0.156 119.671 119.800 0.045 0.000 2.016 149 Q HA -0.097 4.248 4.340 0.008 0.000 0.200 149 Q C 2.049 178.066 176.000 0.028 0.000 0.978 149 Q CA 2.117 57.935 55.803 0.026 0.000 0.833 149 Q CB -0.757 27.966 28.738 -0.024 0.000 0.895 149 Q HN 0.466 nan 8.270 nan 0.000 0.427 150 G N -0.200 108.612 108.800 0.020 0.000 2.421 150 G HA2 -0.118 3.847 3.960 0.008 0.000 0.217 150 G HA3 -0.118 3.847 3.960 0.008 0.000 0.217 150 G C 1.207 176.136 174.900 0.048 0.000 1.143 150 G CA 0.725 45.839 45.100 0.024 0.000 0.784 150 G HN 0.360 nan 8.290 nan 0.000 0.541 151 L N -1.797 119.468 121.223 0.069 0.000 2.416 151 L HA 0.353 4.698 4.340 0.008 0.000 0.216 151 L C 2.057 179.029 176.870 0.169 0.000 1.098 151 L CA 0.212 55.106 54.840 0.091 0.000 0.840 151 L CB 0.075 42.172 42.059 0.065 0.000 0.981 151 L HN 0.251 nan 8.230 nan 0.000 0.462 152 F N -0.317 119.622 119.950 -0.019 0.000 2.463 152 F HA 0.336 4.868 4.527 0.008 0.000 0.271 152 F C 2.277 178.081 175.800 0.007 0.000 0.888 152 F CA 0.563 58.554 58.000 -0.016 0.000 1.149 152 F CB -0.411 38.560 39.000 -0.050 0.000 1.071 152 F HN -0.162 nan 8.300 nan 0.000 0.802 153 A N 0.528 123.293 122.820 -0.092 0.000 1.858 153 A HA -0.149 4.176 4.320 0.008 0.000 0.216 153 A C 1.890 179.388 177.584 -0.142 0.000 1.190 153 A CA 2.251 54.156 52.037 -0.220 0.000 0.617 153 A CB -1.100 17.873 19.000 -0.045 0.000 0.827 153 A HN 0.476 nan 8.150 nan 0.000 0.443 154 D N -0.544 119.825 120.400 -0.051 0.000 2.084 154 D HA -0.094 4.551 4.640 0.008 0.000 0.194 154 D C -0.387 175.915 176.300 0.003 0.000 0.990 154 D CA 1.838 55.827 54.000 -0.019 0.000 0.826 154 D CB -1.393 39.408 40.800 0.001 0.000 0.971 154 D HN 0.386 nan 8.370 nan 0.000 0.453 155 P HA -0.030 nan 4.420 nan 0.000 0.221 155 P C 1.790 179.176 177.300 0.143 0.000 1.150 155 P CA 0.614 63.813 63.100 0.165 0.000 0.800 155 P CB 0.249 32.053 31.700 0.173 0.000 0.787 156 V N 0.849 120.737 119.914 -0.045 0.000 2.358 156 V HA -0.139 3.986 4.120 0.008 0.000 0.246 156 V C 2.879 178.948 176.094 -0.041 0.000 1.047 156 V CA 2.496 64.736 62.300 -0.101 0.000 1.035 156 V CB -1.793 29.810 31.823 -0.367 0.000 0.658 156 V HN 0.165 nan 8.190 nan 0.000 0.452 157 G N -0.529 108.238 108.800 -0.056 0.000 2.421 157 G HA2 -0.198 3.767 3.960 0.008 0.000 0.216 157 G HA3 -0.198 3.767 3.960 0.008 0.000 0.216 157 G C 1.768 176.674 174.900 0.010 0.000 1.171 157 G CA 1.076 46.166 45.100 -0.017 0.000 0.775 157 G HN 0.597 nan 8.290 nan 0.000 0.543 158 A N 0.154 122.973 122.820 -0.002 0.000 1.855 158 A HA -0.052 4.273 4.320 0.008 0.000 0.215 158 A C 2.180 179.700 177.584 -0.106 0.000 1.191 158 A CA 1.616 53.620 52.037 -0.054 0.000 0.613 158 A CB -0.745 18.188 19.000 -0.113 0.000 0.829 158 A HN 0.458 nan 8.150 nan 0.000 0.442 159 H N -0.610 118.481 119.070 0.035 0.000 2.428 159 H HA 0.040 4.601 4.556 0.007 0.000 0.296 159 H C 2.504 177.841 175.328 0.016 0.000 1.062 159 H CA 1.164 57.229 56.048 0.029 0.000 1.350 159 H CB -0.221 29.550 29.762 0.015 0.000 1.403 159 H HN 0.541 nan 8.280 nan 0.000 0.533 160 A N 1.482 124.361 122.820 0.099 0.000 1.933 160 A HA -0.112 4.213 4.320 0.008 0.000 0.218 160 A C 2.490 180.102 177.584 0.047 0.000 1.175 160 A CA 0.789 52.861 52.037 0.058 0.000 0.628 160 A CB -0.577 18.446 19.000 0.037 0.000 0.814 160 A HN 0.219 nan 8.150 nan 0.000 0.444 161 L N -0.388 120.867 121.223 0.053 0.000 2.093 161 L HA -0.180 4.165 4.340 0.008 0.000 0.208 161 L C 2.617 179.509 176.870 0.036 0.000 1.085 161 L CA 1.689 56.570 54.840 0.068 0.000 0.755 161 L CB -1.258 40.863 42.059 0.103 0.000 0.904 161 L HN 0.534 nan 8.230 nan 0.000 0.435 162 C N -0.223 119.081 119.300 0.006 0.000 2.413 162 C HA -0.142 4.323 4.460 0.008 0.000 0.276 162 C C 2.644 177.588 174.990 -0.076 0.000 1.248 162 C CA 0.389 59.353 59.018 -0.090 0.000 1.742 162 C CB -0.556 27.132 27.740 -0.088 0.000 2.017 162 C HN 0.507 nan 8.230 nan 0.000 0.481 163 E N 0.438 120.627 120.200 -0.018 0.000 2.077 163 E HA -0.178 4.177 4.350 0.008 0.000 0.193 163 E C 2.016 178.589 176.600 -0.044 0.000 0.989 163 E CA 0.917 57.305 56.400 -0.020 0.000 0.800 163 E CB -0.663 29.041 29.700 0.005 0.000 0.746 163 E HN 0.602 nan 8.360 nan 0.000 0.452 164 L N 0.831 122.031 121.223 -0.038 0.000 2.017 164 L HA -0.144 4.201 4.340 0.008 0.000 0.208 164 L C 2.280 179.104 176.870 -0.076 0.000 1.073 164 L CA 1.468 56.267 54.840 -0.070 0.000 0.745 164 L CB -0.436 41.596 42.059 -0.045 0.000 0.894 164 L HN 0.051 nan 8.230 nan 0.000 0.432 165 L N -0.483 120.707 121.223 -0.055 0.000 2.156 165 L HA 0.097 4.442 4.340 0.008 0.000 0.208 165 L C 1.412 178.232 176.870 -0.083 0.000 1.095 165 L CA 0.783 55.588 54.840 -0.058 0.000 0.770 165 L CB -0.719 41.310 42.059 -0.049 0.000 0.914 165 L HN 0.597 nan 8.230 nan 0.000 0.439 166 G N 0.549 109.291 108.800 -0.097 0.000 2.226 166 G HA2 -0.164 3.801 3.960 0.008 0.000 0.176 166 G HA3 -0.164 3.801 3.960 0.008 0.000 0.176 166 G C -0.097 174.737 174.900 -0.111 0.000 1.042 166 G CA -0.727 44.320 45.100 -0.088 0.000 0.732 166 G HN 0.041 nan 8.290 nan 0.000 0.494 167 I N 0.905 121.374 120.570 -0.168 0.000 2.471 167 I HA 0.235 4.410 4.170 0.008 0.000 0.286 167 I C -1.549 174.508 176.117 -0.099 0.000 1.079 167 I CA -2.805 58.368 61.300 -0.211 0.000 1.398 167 I CB 0.206 37.906 38.000 -0.499 0.000 1.403 167 I HN -0.063 nan 8.210 nan 0.000 0.530 168 P HA 0.015 nan 4.420 nan 0.000 0.263 168 P C 0.959 178.262 177.300 0.005 0.000 1.175 168 P CA 0.039 63.136 63.100 -0.004 0.000 0.761 168 P CB 0.511 32.228 31.700 0.028 0.000 0.794 169 R N 3.624 124.130 120.500 0.011 0.000 2.119 169 R HA -0.250 4.095 4.340 0.008 0.000 0.246 169 R C 1.283 177.608 176.300 0.042 0.000 1.146 169 R CA 2.523 58.639 56.100 0.027 0.000 0.962 169 R CB -0.551 29.760 30.300 0.018 0.000 0.863 169 R HN 0.583 nan 8.270 nan 0.000 0.442 170 D N -0.982 119.441 120.400 0.037 0.000 2.348 170 D HA -0.122 4.523 4.640 0.008 0.000 0.216 170 D C 0.689 177.023 176.300 0.057 0.000 0.970 170 D CA 0.907 54.933 54.000 0.044 0.000 0.889 170 D CB 0.029 40.852 40.800 0.038 0.000 0.912 170 D HN 0.254 nan 8.370 nan 0.000 0.524 171 D N -0.008 120.429 120.400 0.060 0.000 2.366 171 D HA -0.026 4.619 4.640 0.008 0.000 0.205 171 D C 1.838 178.171 176.300 0.054 0.000 1.022 171 D CA 0.191 54.228 54.000 0.062 0.000 0.868 171 D CB -0.005 40.860 40.800 0.108 0.000 0.953 171 D HN 0.356 nan 8.370 nan 0.000 0.514 172 Q N 0.745 120.585 119.800 0.067 0.000 2.096 172 Q HA -0.177 4.168 4.340 0.008 0.000 0.204 172 Q C 2.165 178.267 176.000 0.169 0.000 0.982 172 Q CA 1.107 56.978 55.803 0.112 0.000 0.850 172 Q CB -0.017 28.835 28.738 0.189 0.000 0.901 172 Q HN 0.199 nan 8.270 nan 0.000 0.422 173 R N 1.065 121.671 120.500 0.177 0.000 2.094 173 R HA -0.209 4.136 4.340 0.008 0.000 0.239 173 R C 1.936 178.293 176.300 0.095 0.000 1.137 173 R CA 1.947 58.141 56.100 0.156 0.000 0.943 173 R CB -0.011 30.353 30.300 0.107 0.000 0.850 173 R HN 0.318 nan 8.270 nan 0.000 0.433 174 E N -0.673 119.569 120.200 0.069 0.000 2.072 174 E HA -0.203 4.152 4.350 0.008 0.000 0.191 174 E C 1.844 178.456 176.600 0.020 0.000 0.985 174 E CA 1.196 57.613 56.400 0.029 0.000 0.801 174 E CB -0.221 29.484 29.700 0.008 0.000 0.750 174 E HN 0.321 nan 8.360 nan 0.000 0.452 175 F N 1.377 121.243 119.950 -0.140 0.000 2.095 175 F HA -0.241 4.289 4.527 0.005 0.000 0.298 175 F C 2.187 177.942 175.800 -0.074 0.000 1.104 175 F CA 1.146 59.054 58.000 -0.152 0.000 1.232 175 F CB -0.108 38.771 39.000 -0.202 0.000 0.987 175 F HN -0.203 nan 8.300 nan 0.000 0.475 176 V N 0.721 120.690 119.914 0.092 0.000 2.343 176 V HA -0.310 3.815 4.120 0.008 0.000 0.247 176 V C 2.472 178.522 176.094 -0.073 0.000 1.051 176 V CA 2.147 64.423 62.300 -0.041 0.000 1.036 176 V CB -0.706 31.037 31.823 -0.133 0.000 0.654 176 V HN 0.277 nan 8.190 nan 0.000 0.451 177 R N -0.319 120.157 120.500 -0.039 0.000 2.091 177 R HA -0.157 4.188 4.340 0.008 0.000 0.238 177 R C 2.576 178.817 176.300 -0.098 0.000 1.136 177 R CA 1.581 57.652 56.100 -0.049 0.000 0.959 177 R CB -0.350 29.938 30.300 -0.021 0.000 0.856 177 R HN 0.509 nan 8.270 nan 0.000 0.437 178 R N 0.244 120.659 120.500 -0.140 0.000 2.073 178 R HA -0.105 4.240 4.340 0.008 0.000 0.234 178 R C 2.272 178.395 176.300 -0.294 0.000 1.134 178 R CA 1.127 57.112 56.100 -0.192 0.000 0.952 178 R CB -0.407 29.791 30.300 -0.171 0.000 0.850 178 R HN 0.148 nan 8.270 nan 0.000 0.433 179 I N 1.172 121.537 120.570 -0.342 0.000 2.185 179 I HA -0.304 3.871 4.170 0.008 0.000 0.246 179 I C 2.186 178.174 176.117 -0.214 0.000 1.088 179 I CA 1.650 62.755 61.300 -0.325 0.000 1.347 179 I CB -0.827 37.045 38.000 -0.214 0.000 1.041 179 I HN 0.194 nan 8.210 nan 0.000 0.415 180 R N -0.389 120.022 120.500 -0.149 0.000 2.161 180 R HA 0.014 4.359 4.340 0.008 0.000 0.213 180 R C 2.363 178.603 176.300 -0.101 0.000 1.055 180 R CA 0.337 56.376 56.100 -0.102 0.000 0.996 180 R CB -0.053 30.208 30.300 -0.066 0.000 0.901 180 R HN 0.360 nan 8.270 nan 0.000 0.456 181 R N 0.677 121.107 120.500 -0.117 0.000 2.061 181 R HA -0.051 4.294 4.340 0.008 0.000 0.230 181 R C 1.703 177.937 176.300 -0.110 0.000 1.140 181 R CA 1.803 57.843 56.100 -0.099 0.000 0.940 181 R CB -0.388 29.856 30.300 -0.094 0.000 0.839 181 R HN 0.250 nan 8.270 nan 0.000 0.429 182 N N 0.331 118.935 118.700 -0.161 0.000 2.443 182 N HA -0.045 4.700 4.740 0.008 0.000 0.184 182 N C 0.352 175.788 175.510 -0.123 0.000 1.037 182 N CA 0.302 53.256 53.050 -0.160 0.000 0.896 182 N CB 0.105 38.440 38.487 -0.254 0.000 0.959 182 N HN 0.230 nan 8.380 nan 0.000 0.442 188 G N 1.438 110.229 108.800 -0.015 0.000 2.788 188 G HA2 -0.158 3.807 3.960 0.008 0.000 0.686 188 G HA3 -0.158 3.807 3.960 0.008 0.000 0.686 188 G C 0.344 175.238 174.900 -0.011 0.000 1.147 188 G CA -0.347 44.746 45.100 -0.011 0.000 0.755 188 G HN 0.037 nan 8.290 nan 0.000 0.634 189 L N 0.665 121.883 121.223 -0.008 0.000 2.079 189 L HA -0.122 4.223 4.340 0.008 0.000 0.210 189 L C 3.064 179.930 176.870 -0.006 0.000 1.081 189 L CA 2.187 57.023 54.840 -0.007 0.000 0.752 189 L CB -0.428 41.630 42.059 -0.002 0.000 0.896 189 L HN 0.729 nan 8.230 nan 0.000 0.433 190 K N -0.004 120.393 120.400 -0.004 0.000 2.097 190 K HA -0.126 4.199 4.320 0.008 0.000 0.206 190 K C 2.253 178.850 176.600 -0.004 0.000 1.049 190 K CA 1.304 57.590 56.287 -0.003 0.000 0.933 190 K CB -0.181 32.318 32.500 -0.001 0.000 0.717 190 K HN 0.281 nan 8.250 nan 0.000 0.442 191 A N 1.581 124.396 122.820 -0.008 0.000 1.898 191 A HA -0.148 4.177 4.320 0.008 0.000 0.216 191 A C 2.033 179.608 177.584 -0.015 0.000 1.181 191 A CA 1.171 53.201 52.037 -0.011 0.000 0.620 191 A CB -0.346 18.646 19.000 -0.014 0.000 0.819 191 A HN 0.189 nan 8.150 nan 0.000 0.442 192 R N -0.448 120.040 120.500 -0.020 0.000 2.096 192 R HA -0.096 4.249 4.340 0.008 0.000 0.235 192 R C 2.421 178.708 176.300 -0.021 0.000 1.127 192 R CA 1.161 57.244 56.100 -0.029 0.000 0.968 192 R CB -0.471 29.810 30.300 -0.031 0.000 0.861 192 R HN 0.515 nan 8.270 nan 0.000 0.440 193 A N 1.213 124.027 122.820 -0.010 0.000 1.933 193 A HA -0.112 4.213 4.320 0.008 0.000 0.218 193 A C 2.342 179.930 177.584 0.007 0.000 1.175 193 A CA 1.687 53.723 52.037 -0.001 0.000 0.628 193 A CB -0.503 18.498 19.000 0.002 0.000 0.814 193 A HN 0.402 nan 8.150 nan 0.000 0.444 194 A N -0.051 122.772 122.820 0.005 0.000 1.897 194 A HA -0.123 4.202 4.320 0.008 0.000 0.215 194 A C 1.773 179.368 177.584 0.018 0.000 1.181 194 A CA 1.644 53.688 52.037 0.012 0.000 0.620 194 A CB -0.472 18.533 19.000 0.008 0.000 0.821 194 A HN 0.456 nan 8.150 nan 0.000 0.443 195 D N -0.422 119.980 120.400 0.003 0.000 2.117 195 D HA -0.116 4.529 4.640 0.008 0.000 0.197 195 D C 2.226 178.546 176.300 0.033 0.000 0.987 195 D CA 1.607 55.606 54.000 -0.001 0.000 0.829 195 D CB -0.401 40.370 40.800 -0.048 0.000 0.961 195 D HN 0.391 nan 8.370 nan 0.000 0.460 196 S N 0.138 115.849 115.700 0.017 0.000 2.356 196 S HA -0.137 4.338 4.470 0.008 0.000 0.223 196 S C 2.057 176.722 174.600 0.108 0.000 1.032 196 S CA 1.479 59.710 58.200 0.052 0.000 1.005 196 S CB -0.154 63.053 63.200 0.011 0.000 0.867 196 S HN 0.261 nan 8.310 nan 0.000 0.449 197 A N 1.361 124.223 122.820 0.070 0.000 1.883 197 A HA 0.112 4.437 4.320 0.008 0.000 0.217 197 A C 2.453 180.091 177.584 0.090 0.000 1.186 197 A CA 2.014 54.092 52.037 0.068 0.000 0.624 197 A CB -1.392 17.634 19.000 0.044 0.000 0.822 197 A HN 0.748 nan 8.150 nan 0.000 0.444 198 A N -1.580 121.299 122.820 0.097 0.000 1.930 198 A HA -0.009 4.316 4.320 0.008 0.000 0.217 198 A C 2.049 179.731 177.584 0.162 0.000 1.175 198 A CA 1.558 53.661 52.037 0.110 0.000 0.627 198 A CB -0.663 18.389 19.000 0.086 0.000 0.815 198 A HN 0.617 nan 8.150 nan 0.000 0.443 199 F N 1.099 121.061 119.950 0.019 0.000 2.146 199 F HA -0.149 4.383 4.527 0.008 0.000 0.298 199 F C 1.990 177.855 175.800 0.108 0.000 1.096 199 F CA 1.848 59.864 58.000 0.027 0.000 1.275 199 F CB -0.379 38.584 39.000 -0.063 0.000 1.008 199 F HN 0.345 nan 8.300 nan 0.000 0.480 200 N N 0.088 118.884 118.700 0.160 0.000 2.142 200 N HA -0.230 4.515 4.740 0.008 0.000 0.186 200 N C 1.996 177.517 175.510 0.017 0.000 1.023 200 N CA 1.285 54.378 53.050 0.072 0.000 0.852 200 N CB -0.205 38.339 38.487 0.095 0.000 0.998 200 N HN 0.168 nan 8.380 nan 0.000 0.424 201 R N -0.651 119.876 120.500 0.045 0.000 2.081 201 R HA -0.162 4.183 4.340 0.008 0.000 0.235 201 R C 2.078 178.381 176.300 0.005 0.000 1.131 201 R CA 1.512 57.628 56.100 0.027 0.000 0.960 201 R CB -1.135 29.197 30.300 0.052 0.000 0.856 201 R HN 0.436 nan 8.270 nan 0.000 0.436 202 Y N 0.521 120.775 120.300 -0.077 0.000 2.145 202 Y HA -0.130 4.422 4.550 0.004 0.000 0.286 202 Y C 1.762 177.591 175.900 -0.117 0.000 1.145 202 Y CA 1.959 60.007 58.100 -0.087 0.000 1.148 202 Y CB -0.161 38.242 38.460 -0.096 0.000 0.981 202 Y HN 0.069 nan 8.280 nan 0.000 0.507 203 L N -0.305 120.827 121.223 -0.152 0.000 2.083 203 L HA -0.220 4.125 4.340 0.008 0.000 0.209 203 L C 2.010 178.779 176.870 -0.168 0.000 1.083 203 L CA 1.478 56.212 54.840 -0.178 0.000 0.752 203 L CB -0.612 41.362 42.059 -0.142 0.000 0.899 203 L HN 0.224 nan 8.230 nan 0.000 0.433 204 D N -0.035 120.292 120.400 -0.122 0.000 2.117 204 D HA -0.162 4.483 4.640 0.008 0.000 0.197 204 D C 1.966 178.189 176.300 -0.130 0.000 0.987 204 D CA 0.998 54.942 54.000 -0.094 0.000 0.829 204 D CB -0.272 40.494 40.800 -0.056 0.000 0.961 204 D HN 0.273 nan 8.370 nan 0.000 0.460 205 N N 0.527 119.119 118.700 -0.180 0.000 2.120 205 N HA -0.120 4.625 4.740 0.008 0.000 0.188 205 N C 1.954 177.318 175.510 -0.243 0.000 1.024 205 N CA 0.327 53.260 53.050 -0.196 0.000 0.852 205 N CB -0.364 37.997 38.487 -0.210 0.000 1.003 205 N HN 0.159 nan 8.380 nan 0.000 0.424 206 L N 1.627 122.630 121.223 -0.366 0.000 2.012 206 L HA -0.058 4.287 4.340 0.008 0.000 0.210 206 L C 2.089 178.854 176.870 -0.175 0.000 1.073 206 L CA 1.349 55.998 54.840 -0.318 0.000 0.748 206 L CB -0.667 41.160 42.059 -0.387 0.000 0.891 206 L HN 0.106 nan 8.230 nan 0.000 0.431 207 L N -0.839 120.299 121.223 -0.142 0.000 2.093 207 L HA -0.152 4.193 4.340 0.008 0.000 0.208 207 L C 2.662 179.488 176.870 -0.073 0.000 1.085 207 L CA 1.047 55.834 54.840 -0.087 0.000 0.755 207 L CB -0.973 41.048 42.059 -0.064 0.000 0.904 207 L HN 0.396 nan 8.230 nan 0.000 0.435 208 A N 0.345 123.117 122.820 -0.081 0.000 1.902 208 A HA -0.264 4.061 4.320 0.008 0.000 0.217 208 A C 2.411 179.959 177.584 -0.061 0.000 1.181 208 A CA 1.906 53.905 52.037 -0.063 0.000 0.623 208 A CB -0.546 18.416 19.000 -0.063 0.000 0.818 208 A HN 0.346 nan 8.150 nan 0.000 0.443 209 R N -1.028 119.425 120.500 -0.078 0.000 2.075 209 R HA -0.136 4.209 4.340 0.008 0.000 0.232 209 R C 2.283 178.548 176.300 -0.057 0.000 1.126 209 R CA 1.564 57.622 56.100 -0.069 0.000 0.963 209 R CB -0.206 30.043 30.300 -0.086 0.000 0.858 209 R HN 0.466 nan 8.270 nan 0.000 0.435 210 Q N 0.129 119.892 119.800 -0.061 0.000 2.079 210 Q HA -0.091 4.254 4.340 0.008 0.000 0.200 210 Q C 2.075 178.055 176.000 -0.034 0.000 0.974 210 Q CA 1.152 56.927 55.803 -0.047 0.000 0.840 210 Q CB -0.134 28.575 28.738 -0.048 0.000 0.898 210 Q HN 0.300 nan 8.270 nan 0.000 0.430 211 R N 0.300 120.780 120.500 -0.033 0.000 2.096 211 R HA -0.032 4.313 4.340 0.008 0.000 0.235 211 R C 2.061 178.348 176.300 -0.023 0.000 1.127 211 R CA 1.179 57.266 56.100 -0.023 0.000 0.968 211 R CB -0.605 29.682 30.300 -0.022 0.000 0.861 211 R HN 0.235 nan 8.270 nan 0.000 0.440 212 A N 0.571 123.374 122.820 -0.028 0.000 1.898 212 A HA -0.122 4.203 4.320 0.008 0.000 0.216 212 A C 0.490 178.060 177.584 -0.023 0.000 1.181 212 A CA 1.412 53.434 52.037 -0.025 0.000 0.620 212 A CB 0.082 19.065 19.000 -0.029 0.000 0.819 212 A HN 0.249 nan 8.150 nan 0.000 0.442 213 D N -1.442 118.943 120.400 -0.026 0.000 2.411 213 D HA 0.342 4.987 4.640 0.008 0.000 0.239 213 D C -3.167 173.118 176.300 -0.026 0.000 1.307 213 D CA -1.631 52.354 54.000 -0.024 0.000 0.930 213 D CB 0.743 41.529 40.800 -0.024 0.000 1.395 213 D HN -0.054 nan 8.370 nan 0.000 0.536 214 P HA 0.122 nan 4.420 nan 0.000 0.262 214 P C -0.257 177.028 177.300 -0.025 0.000 1.199 214 P CA 0.020 63.105 63.100 -0.024 0.000 0.763 214 P CB 0.676 32.365 31.700 -0.018 0.000 0.790 215 D N 1.586 121.969 120.400 -0.030 0.000 2.475 215 D HA 0.067 4.712 4.640 0.008 0.000 0.286 215 D C 0.509 176.790 176.300 -0.031 0.000 1.205 215 D CA -0.207 53.775 54.000 -0.030 0.000 1.092 215 D CB -0.285 40.495 40.800 -0.034 0.000 1.147 215 D HN 0.325 nan 8.370 nan 0.000 0.575 216 D N -2.318 118.062 120.400 -0.034 0.000 2.360 216 D HA 0.195 4.840 4.640 0.008 0.000 0.210 216 D C 1.269 177.540 176.300 -0.048 0.000 1.047 216 D CA -0.259 53.719 54.000 -0.036 0.000 0.854 216 D CB -0.111 40.669 40.800 -0.034 0.000 0.936 216 D HN 0.432 nan 8.370 nan 0.000 0.514 217 G N 0.428 109.197 108.800 -0.052 0.000 2.647 217 G HA2 0.113 4.079 3.960 0.008 0.000 0.271 217 G HA3 0.113 4.079 3.960 0.008 0.000 0.271 217 G C 0.750 175.607 174.900 -0.072 0.000 1.300 217 G CA -0.486 44.574 45.100 -0.066 0.000 0.997 217 G HN 0.261 nan 8.290 nan 0.000 0.533 218 L N -0.588 120.579 121.223 -0.093 0.000 2.017 218 L HA -0.022 4.323 4.340 0.008 0.000 0.208 218 L C 2.747 179.588 176.870 -0.048 0.000 1.073 218 L CA 1.159 55.941 54.840 -0.097 0.000 0.745 218 L CB -0.247 41.733 42.059 -0.133 0.000 0.894 218 L HN 0.519 nan 8.230 nan 0.000 0.432 219 L N -0.529 120.670 121.223 -0.040 0.000 2.056 219 L HA -0.112 4.233 4.340 0.008 0.000 0.207 219 L C 2.663 179.521 176.870 -0.021 0.000 1.078 219 L CA 1.226 56.051 54.840 -0.025 0.000 0.749 219 L CB -1.325 40.716 42.059 -0.030 0.000 0.901 219 L HN 0.422 nan 8.230 nan 0.000 0.433 220 G N -0.340 108.441 108.800 -0.030 0.000 2.418 220 G HA2 -0.322 3.643 3.960 0.008 0.000 0.217 220 G HA3 -0.322 3.643 3.960 0.008 0.000 0.217 220 G C 1.652 176.545 174.900 -0.012 0.000 1.158 220 G CA 0.826 45.911 45.100 -0.024 0.000 0.771 220 G HN 0.240 nan 8.290 nan 0.000 0.545 221 M N -0.100 119.491 119.600 -0.015 0.000 2.159 221 M HA 0.065 4.550 4.480 0.008 0.000 0.263 221 M C 2.377 178.700 176.300 0.038 0.000 1.063 221 M CA 1.334 56.633 55.300 -0.001 0.000 1.110 221 M CB -0.153 32.438 32.600 -0.015 0.000 1.374 221 M HN 0.242 nan 8.290 nan 0.000 0.411 222 I N -0.931 119.667 120.570 0.046 0.000 2.353 222 I HA -0.219 3.956 4.170 0.008 0.000 0.248 222 I C 2.115 178.301 176.117 0.115 0.000 1.119 222 I CA 0.628 61.991 61.300 0.105 0.000 1.417 222 I CB -0.238 37.782 38.000 0.034 0.000 1.078 222 I HN 0.104 nan 8.210 nan 0.000 0.421 223 V N 0.881 120.826 119.914 0.051 0.000 2.427 223 V HA -0.262 3.863 4.120 0.008 0.000 0.248 223 V C 2.626 178.739 176.094 0.032 0.000 1.051 223 V CA 1.815 64.139 62.300 0.039 0.000 1.048 223 V CB -0.693 31.135 31.823 0.009 0.000 0.666 223 V HN 0.402 nan 8.190 nan 0.000 0.456 224 R N 0.045 120.555 120.500 0.018 0.000 2.081 224 R HA -0.173 4.172 4.340 0.008 0.000 0.235 224 R C 1.881 178.167 176.300 -0.023 0.000 1.131 224 R CA 2.047 58.145 56.100 -0.004 0.000 0.960 224 R CB -0.205 30.089 30.300 -0.010 0.000 0.856 224 R HN 0.474 nan 8.270 nan 0.000 0.436 225 D N -1.393 118.999 120.400 -0.012 0.000 2.249 225 D HA -0.042 4.603 4.640 0.008 0.000 0.205 225 D C 1.005 177.074 176.300 -0.384 0.000 0.962 225 D CA 1.155 55.068 54.000 -0.145 0.000 0.860 225 D CB 0.213 40.956 40.800 -0.094 0.000 0.955 225 D HN 0.447 nan 8.370 nan 0.000 0.505 226 H N -1.392 117.672 119.070 -0.010 0.000 3.091 226 H HA 0.322 4.883 4.556 0.008 0.000 0.249 226 H C 1.650 176.974 175.328 -0.006 0.000 0.985 226 H CA 0.426 56.470 56.048 -0.007 0.000 1.177 226 H CB 0.564 30.322 29.762 -0.006 0.000 1.456 226 H HN 0.086 nan 8.280 nan 0.000 0.467 227 G N 1.499 110.349 108.800 0.084 0.000 2.704 227 G HA2 -0.487 3.478 3.960 0.008 0.000 0.344 227 G HA3 -0.487 3.478 3.960 0.008 0.000 0.344 227 G C 0.721 175.647 174.900 0.044 0.000 1.200 227 G CA 1.388 46.514 45.100 0.043 0.000 0.962 227 G HN 0.474 nan 8.290 nan 0.000 0.552 228 D N 1.682 122.100 120.400 0.031 0.000 2.324 228 D HA 0.173 4.818 4.640 0.008 0.000 0.235 228 D C 1.710 178.033 176.300 0.038 0.000 1.095 228 D CA 0.246 54.262 54.000 0.027 0.000 0.871 228 D CB 0.004 40.814 40.800 0.016 0.000 0.906 228 D HN 0.351 nan 8.370 nan 0.000 0.522 229 N N 0.019 118.756 118.700 0.063 0.000 2.280 229 N HA 0.037 4.782 4.740 0.008 0.000 0.192 229 N C -0.461 175.090 175.510 0.069 0.000 1.109 229 N CA 0.127 53.223 53.050 0.076 0.000 0.855 229 N CB 1.788 40.342 38.487 0.112 0.000 0.974 229 N HN 0.069 nan 8.380 nan 0.000 0.482 230 V N 1.230 121.178 119.914 0.056 0.000 2.709 230 V HA 0.347 4.472 4.120 0.008 0.000 0.308 230 V C -0.165 175.943 176.094 0.022 0.000 1.062 230 V CA -0.507 61.807 62.300 0.024 0.000 0.901 230 V CB 1.882 33.704 31.823 -0.002 0.000 1.003 230 V HN 0.207 nan 8.190 nan 0.000 0.425 231 T N 1.599 116.165 114.554 0.020 0.000 2.874 231 T HA 0.336 4.691 4.350 0.008 0.000 0.281 231 T C 0.620 175.328 174.700 0.014 0.000 0.994 231 T CA -0.309 61.803 62.100 0.019 0.000 1.015 231 T CB 1.185 70.069 68.868 0.026 0.000 1.028 231 T HN 0.651 nan 8.240 nan 0.000 0.523 232 D N 0.262 120.668 120.400 0.010 0.000 2.178 232 D HA -0.067 4.578 4.640 0.008 0.000 0.202 232 D C 1.924 178.232 176.300 0.014 0.000 0.974 232 D CA 1.031 55.034 54.000 0.005 0.000 0.841 232 D CB 0.057 40.855 40.800 -0.002 0.000 0.953 232 D HN 0.725 nan 8.370 nan 0.000 0.478 233 E N 0.730 120.943 120.200 0.022 0.000 2.077 233 E HA -0.162 4.193 4.350 0.008 0.000 0.193 233 E C 1.915 178.539 176.600 0.041 0.000 0.989 233 E CA 0.748 57.168 56.400 0.033 0.000 0.800 233 E CB 0.002 29.724 29.700 0.037 0.000 0.746 233 E HN 0.443 nan 8.360 nan 0.000 0.452 234 E N 0.662 120.885 120.200 0.038 0.000 2.072 234 E HA -0.134 4.221 4.350 0.008 0.000 0.191 234 E C 2.284 178.890 176.600 0.011 0.000 0.985 234 E CA 0.589 57.008 56.400 0.031 0.000 0.801 234 E CB -0.027 29.685 29.700 0.021 0.000 0.750 234 E HN 0.219 nan 8.360 nan 0.000 0.452 235 L N 0.989 122.218 121.223 0.009 0.000 2.046 235 L HA -0.199 4.146 4.340 0.008 0.000 0.208 235 L C 2.394 179.280 176.870 0.028 0.000 1.077 235 L CA 1.274 56.118 54.840 0.008 0.000 0.747 235 L CB -0.313 41.747 42.059 0.002 0.000 0.896 235 L HN 0.062 nan 8.230 nan 0.000 0.432 236 K N -0.150 120.271 120.400 0.035 0.000 2.097 236 K HA -0.091 4.234 4.320 0.008 0.000 0.205 236 K C 2.122 178.770 176.600 0.081 0.000 1.050 236 K CA 1.212 57.536 56.287 0.061 0.000 0.938 236 K CB -0.383 32.150 32.500 0.055 0.000 0.718 236 K HN 0.378 nan 8.250 nan 0.000 0.442 237 G N 1.425 110.260 108.800 0.058 0.000 2.408 237 G HA2 -0.205 3.760 3.960 0.008 0.000 0.217 237 G HA3 -0.205 3.760 3.960 0.008 0.000 0.217 237 G C 1.485 176.411 174.900 0.043 0.000 1.150 237 G CA 0.398 45.530 45.100 0.054 0.000 0.776 237 G HN 0.086 nan 8.290 nan 0.000 0.542 238 L N 0.022 121.261 121.223 0.025 0.000 2.093 238 L HA -0.102 4.243 4.340 0.008 0.000 0.208 238 L C 3.018 179.928 176.870 0.067 0.000 1.085 238 L CA 0.598 55.450 54.840 0.019 0.000 0.755 238 L CB -0.430 41.627 42.059 -0.002 0.000 0.904 238 L HN 0.256 nan 8.230 nan 0.000 0.435 239 C N -0.698 118.659 119.300 0.094 0.000 2.432 239 C HA -0.177 4.288 4.460 0.008 0.000 0.277 239 C C 2.944 178.039 174.990 0.176 0.000 1.249 239 C CA 1.449 60.556 59.018 0.149 0.000 1.725 239 C CB -0.852 26.997 27.740 0.182 0.000 2.028 239 C HN 0.515 nan 8.230 nan 0.000 0.477 240 T N 1.059 115.709 114.554 0.159 0.000 2.684 240 T HA -0.149 4.206 4.350 0.008 0.000 0.267 240 T C 2.091 176.828 174.700 0.061 0.000 1.036 240 T CA 1.732 63.903 62.100 0.117 0.000 1.148 240 T CB -0.452 68.462 68.868 0.077 0.000 0.863 240 T HN 0.647 nan 8.240 nan 0.000 0.436 241 A N 1.142 123.992 122.820 0.050 0.000 1.908 241 A HA -0.031 4.294 4.320 0.008 0.000 0.218 241 A C 2.295 179.905 177.584 0.044 0.000 1.181 241 A CA 1.330 53.384 52.037 0.029 0.000 0.627 241 A CB -0.839 18.172 19.000 0.018 0.000 0.818 241 A HN 0.495 nan 8.150 nan 0.000 0.445 242 L N -0.820 120.451 121.223 0.080 0.000 2.093 242 L HA -0.124 4.221 4.340 0.008 0.000 0.208 242 L C 2.457 179.392 176.870 0.108 0.000 1.085 242 L CA 0.994 55.901 54.840 0.110 0.000 0.755 242 L CB -0.461 41.702 42.059 0.172 0.000 0.904 242 L HN 0.370 nan 8.230 nan 0.000 0.435 243 I N -0.276 120.363 120.570 0.115 0.000 2.202 243 I HA -0.296 3.879 4.170 0.008 0.000 0.242 243 I C 2.370 178.517 176.117 0.051 0.000 1.091 243 I CA 1.345 62.706 61.300 0.102 0.000 1.368 243 I CB -0.176 37.892 38.000 0.113 0.000 1.058 243 I HN 0.201 nan 8.210 nan 0.000 0.410 244 L N 0.172 121.411 121.223 0.027 0.000 2.093 244 L HA -0.090 4.255 4.340 0.008 0.000 0.208 244 L C 2.538 179.419 176.870 0.017 0.000 1.085 244 L CA 1.450 56.293 54.840 0.006 0.000 0.755 244 L CB -0.937 41.102 42.059 -0.033 0.000 0.904 244 L HN 0.308 nan 8.230 nan 0.000 0.435 245 G N -1.073 107.740 108.800 0.022 0.000 2.551 245 G HA2 -0.009 3.956 3.960 0.008 0.000 0.216 245 G HA3 -0.009 3.956 3.960 0.008 0.000 0.216 245 G C 1.400 176.328 174.900 0.046 0.000 1.137 245 G CA 0.654 45.768 45.100 0.023 0.000 0.798 245 G HN 0.478 nan 8.290 nan 0.000 0.536 246 G N -0.437 108.400 108.800 0.063 0.000 2.833 246 G HA2 0.204 4.169 3.960 0.008 0.000 0.214 246 G HA3 0.204 4.169 3.960 0.008 0.000 0.214 246 G C 1.408 176.350 174.900 0.070 0.000 1.075 246 G CA 0.736 45.883 45.100 0.078 0.000 0.799 246 G HN 0.196 nan 8.290 nan 0.000 0.541 247 V N 0.886 120.835 119.914 0.059 0.000 2.239 247 V HA -0.055 4.070 4.120 0.008 0.000 0.242 247 V C 2.530 178.646 176.094 0.036 0.000 1.038 247 V CA 2.212 64.537 62.300 0.042 0.000 1.002 247 V CB -0.109 31.732 31.823 0.029 0.000 0.641 247 V HN 0.348 nan 8.190 nan 0.000 0.449 248 E N 0.516 120.741 120.200 0.043 0.000 2.204 248 E HA -0.158 4.197 4.350 0.008 0.000 0.194 248 E C 2.218 178.859 176.600 0.068 0.000 0.989 248 E CA 1.542 57.972 56.400 0.050 0.000 0.824 248 E CB -0.286 29.451 29.700 0.061 0.000 0.756 248 E HN 0.829 nan 8.360 nan 0.000 0.477 249 T N -2.343 112.254 114.554 0.071 0.000 2.737 249 T HA -0.115 4.240 4.350 0.008 0.000 0.265 249 T C 2.004 176.755 174.700 0.086 0.000 1.038 249 T CA 1.248 63.397 62.100 0.082 0.000 1.144 249 T CB -0.764 68.150 68.868 0.077 0.000 0.866 249 T HN -0.009 nan 8.240 nan 0.000 0.434 250 V N 2.355 122.310 119.914 0.070 0.000 2.343 250 V HA -0.078 4.047 4.120 0.008 0.000 0.247 250 V C 3.265 179.374 176.094 0.025 0.000 1.051 250 V CA 1.685 64.013 62.300 0.048 0.000 1.036 250 V CB -1.427 30.410 31.823 0.023 0.000 0.654 250 V HN 0.695 nan 8.190 nan 0.000 0.451 251 A N 0.342 123.172 122.820 0.017 0.000 1.933 251 A HA -0.097 4.228 4.320 0.008 0.000 0.218 251 A C 2.395 180.001 177.584 0.037 0.000 1.175 251 A CA 1.964 53.999 52.037 -0.003 0.000 0.628 251 A CB -1.133 17.863 19.000 -0.007 0.000 0.814 251 A HN 0.536 nan 8.150 nan 0.000 0.444 252 G N -1.161 107.690 108.800 0.086 0.000 2.402 252 G HA2 -0.150 3.815 3.960 0.008 0.000 0.216 252 G HA3 -0.150 3.815 3.960 0.008 0.000 0.216 252 G C 1.496 176.566 174.900 0.285 0.000 1.162 252 G CA 1.133 46.332 45.100 0.165 0.000 0.777 252 G HN 0.313 nan 8.290 nan 0.000 0.539 253 M N 0.353 120.091 119.600 0.231 0.000 2.159 253 M HA 0.101 4.586 4.480 0.008 0.000 0.263 253 M C 2.586 179.088 176.300 0.338 0.000 1.063 253 M CA 0.861 56.329 55.300 0.280 0.000 1.110 253 M CB -0.843 31.876 32.600 0.199 0.000 1.374 253 M HN 0.239 nan 8.290 nan 0.000 0.411 254 I N -0.659 120.031 120.570 0.200 0.000 2.163 254 I HA -0.188 3.987 4.170 0.008 0.000 0.240 254 I C 2.549 178.860 176.117 0.323 0.000 1.081 254 I CA 1.364 62.807 61.300 0.239 0.000 1.353 254 I CB -0.971 37.029 38.000 -0.001 0.000 1.054 254 I HN 0.304 nan 8.210 nan 0.000 0.407 255 G N 0.548 109.455 108.800 0.177 0.000 2.453 255 G HA2 -0.247 3.718 3.960 0.008 0.000 0.215 255 G HA3 -0.247 3.718 3.960 0.008 0.000 0.215 255 G C 1.635 176.632 174.900 0.162 0.000 1.201 255 G CA 0.638 45.801 45.100 0.104 0.000 0.784 255 G HN 0.260 nan 8.290 nan 0.000 0.545 256 F N 1.447 121.524 119.950 0.212 0.000 2.171 256 F HA 0.028 4.561 4.527 0.009 0.000 0.300 256 F C 2.933 178.860 175.800 0.211 0.000 1.090 256 F CA 0.630 58.751 58.000 0.201 0.000 1.293 256 F CB -0.076 39.011 39.000 0.145 0.000 1.013 256 F HN 0.232 nan 8.300 nan 0.000 0.486 257 G N -0.342 108.729 108.800 0.452 0.000 2.418 257 G HA2 -0.195 3.770 3.960 0.008 0.000 0.217 257 G HA3 -0.195 3.770 3.960 0.008 0.000 0.217 257 G C 1.737 176.779 174.900 0.236 0.000 1.158 257 G CA 1.016 46.295 45.100 0.298 0.000 0.771 257 G HN 0.216 nan 8.290 nan 0.000 0.545 258 V N 0.929 121.075 119.914 0.388 0.000 2.295 258 V HA -0.137 3.988 4.120 0.008 0.000 0.246 258 V C 2.945 179.243 176.094 0.341 0.000 1.049 258 V CA 1.552 64.108 62.300 0.426 0.000 1.024 258 V CB -0.432 31.585 31.823 0.324 0.000 0.648 258 V HN 0.350 nan 8.190 nan 0.000 0.447 259 L N 0.009 121.404 121.223 0.286 0.000 2.042 259 L HA -0.190 4.155 4.340 0.008 0.000 0.210 259 L C 2.710 179.722 176.870 0.237 0.000 1.076 259 L CA 1.748 56.744 54.840 0.261 0.000 0.749 259 L CB -0.815 41.426 42.059 0.303 0.000 0.893 259 L HN 0.364 nan 8.230 nan 0.000 0.432 260 A N -0.057 122.906 122.820 0.239 0.000 1.898 260 A HA -0.133 4.193 4.320 0.008 0.000 0.216 260 A C 2.247 179.850 177.584 0.032 0.000 1.181 260 A CA 1.329 53.457 52.037 0.151 0.000 0.620 260 A CB -0.671 18.433 19.000 0.173 0.000 0.819 260 A HN 0.351 nan 8.150 nan 0.000 0.442 261 L N -0.648 120.584 121.223 0.016 0.000 2.093 261 L HA -0.136 4.209 4.340 0.008 0.000 0.208 261 L C 2.432 179.309 176.870 0.012 0.000 1.085 261 L CA 0.821 55.601 54.840 -0.100 0.000 0.755 261 L CB -0.459 41.422 42.059 -0.297 0.000 0.904 261 L HN 0.358 nan 8.230 nan 0.000 0.435 262 L N -0.532 120.806 121.223 0.192 0.000 2.201 262 L HA -0.207 4.138 4.340 0.008 0.000 0.212 262 L C 1.862 178.803 176.870 0.119 0.000 1.105 262 L CA 0.988 55.961 54.840 0.221 0.000 0.775 262 L CB -0.369 41.849 42.059 0.265 0.000 0.913 262 L HN 0.241 nan 8.230 nan 0.000 0.440 263 D N -0.391 120.064 120.400 0.091 0.000 2.347 263 D HA -0.048 4.597 4.640 0.008 0.000 0.213 263 D C 0.488 176.794 176.300 0.009 0.000 0.985 263 D CA 0.560 54.598 54.000 0.062 0.000 0.879 263 D CB 0.320 41.171 40.800 0.084 0.000 0.919 263 D HN 0.168 nan 8.370 nan 0.000 0.526 264 N N 0.374 119.056 118.700 -0.031 0.000 2.703 264 N HA 0.098 4.843 4.740 0.008 0.000 0.283 264 N C -2.166 173.285 175.510 -0.097 0.000 1.851 264 N CA -0.809 52.192 53.050 -0.081 0.000 0.826 264 N CB 1.805 40.203 38.487 -0.148 0.000 1.239 264 N HN 0.159 nan 8.380 nan 0.000 0.495 265 P HA -0.153 nan 4.420 nan 0.000 0.218 265 P C 1.476 178.716 177.300 -0.101 0.000 1.146 265 P CA 1.178 64.234 63.100 -0.073 0.000 0.813 265 P CB 0.182 31.880 31.700 -0.004 0.000 0.778 266 G N -0.058 108.694 108.800 -0.081 0.000 2.498 266 G HA2 -0.211 3.754 3.960 0.008 0.000 0.219 266 G HA3 -0.211 3.754 3.960 0.008 0.000 0.219 266 G C 1.604 176.440 174.900 -0.107 0.000 1.119 266 G CA 0.312 45.366 45.100 -0.077 0.000 0.766 266 G HN 0.252 nan 8.290 nan 0.000 0.552 267 Q N -0.108 119.602 119.800 -0.150 0.000 2.311 267 Q HA 0.132 4.477 4.340 0.008 0.000 0.203 267 Q C 2.583 178.442 176.000 -0.236 0.000 0.954 267 Q CA 0.236 55.930 55.803 -0.181 0.000 0.885 267 Q CB -0.001 28.610 28.738 -0.211 0.000 0.963 267 Q HN 0.593 nan 8.270 nan 0.000 0.471 268 I N 1.614 122.005 120.570 -0.298 0.000 2.208 268 I HA -0.310 3.865 4.170 0.008 0.000 0.245 268 I C 2.405 178.434 176.117 -0.146 0.000 1.097 268 I CA 1.630 62.685 61.300 -0.409 0.000 1.363 268 I CB -0.397 37.235 38.000 -0.615 0.000 1.051 268 I HN 0.306 nan 8.210 nan 0.000 0.413 269 E N 1.568 121.738 120.200 -0.050 0.000 2.265 269 E HA -0.201 4.154 4.350 0.008 0.000 0.196 269 E C 2.114 178.743 176.600 0.049 0.000 0.996 269 E CA 1.053 57.501 56.400 0.080 0.000 0.832 269 E CB -0.436 29.287 29.700 0.037 0.000 0.756 269 E HN 0.538 nan 8.360 nan 0.000 0.491 270 L N 0.246 121.438 121.223 -0.051 0.000 2.275 270 L HA -0.107 4.238 4.340 0.008 0.000 0.215 270 L C 2.398 179.200 176.870 -0.114 0.000 1.119 270 L CA 0.175 54.976 54.840 -0.064 0.000 0.790 270 L CB -0.325 41.683 42.059 -0.084 0.000 0.919 270 L HN 0.193 nan 8.230 nan 0.000 0.443 271 L N -0.721 120.363 121.223 -0.232 0.000 2.191 271 L HA -0.136 4.209 4.340 0.008 0.000 0.212 271 L C 1.633 178.156 176.870 -0.577 0.000 1.103 271 L CA 1.875 56.448 54.840 -0.444 0.000 0.769 271 L CB -0.338 41.315 42.059 -0.676 0.000 0.908 271 L HN 0.090 nan 8.230 nan 0.000 0.438 272 F N -1.990 117.957 119.950 -0.004 0.000 2.678 272 F HA 0.178 4.710 4.527 0.008 0.000 0.305 272 F C 2.133 177.938 175.800 0.008 0.000 1.090 272 F CA -0.112 57.897 58.000 0.014 0.000 1.272 272 F CB -0.263 38.746 39.000 0.015 0.000 1.060 272 F HN 0.079 nan 8.300 nan 0.000 0.576 273 E N 0.981 121.242 120.200 0.103 0.000 2.051 273 E HA -0.103 4.252 4.350 0.008 0.000 0.192 273 E C 0.383 177.015 176.600 0.054 0.000 0.991 273 E CA 1.346 57.787 56.400 0.068 0.000 0.799 273 E CB 0.252 29.969 29.700 0.029 0.000 0.748 273 E HN 0.347 nan 8.360 nan 0.000 0.449 274 S N -2.728 112.993 115.700 0.035 0.000 2.611 274 S HA 0.209 4.684 4.470 0.008 0.000 0.270 274 S C -2.627 171.985 174.600 0.020 0.000 1.131 274 S CA -1.093 57.126 58.200 0.032 0.000 0.826 274 S CB 1.458 64.672 63.200 0.024 0.000 1.095 274 S HN -0.219 nan 8.310 nan 0.000 0.461 275 P HA -0.011 nan 4.420 nan 0.000 0.217 275 P C 0.937 178.248 177.300 0.019 0.000 1.150 275 P CA 1.420 64.534 63.100 0.023 0.000 0.832 275 P CB 0.020 31.737 31.700 0.029 0.000 0.787 276 E N -0.347 119.864 120.200 0.018 0.000 2.047 276 E HA -0.189 4.166 4.350 0.008 0.000 0.191 276 E C 1.945 178.552 176.600 0.012 0.000 0.987 276 E CA 1.206 57.617 56.400 0.018 0.000 0.799 276 E CB -0.629 29.081 29.700 0.017 0.000 0.752 276 E HN 0.072 nan 8.360 nan 0.000 0.449 277 K N 0.724 121.126 120.400 0.003 0.000 2.097 277 K HA 0.035 4.360 4.320 0.008 0.000 0.205 277 K C 1.848 178.435 176.600 -0.022 0.000 1.050 277 K CA 1.261 57.542 56.287 -0.009 0.000 0.938 277 K CB -0.462 32.030 32.500 -0.013 0.000 0.718 277 K HN 0.113 nan 8.250 nan 0.000 0.442 278 A N 0.892 123.695 122.820 -0.028 0.000 1.902 278 A HA -0.197 4.128 4.320 0.008 0.000 0.217 278 A C 1.912 179.502 177.584 0.009 0.000 1.181 278 A CA 1.915 53.927 52.037 -0.043 0.000 0.623 278 A CB -0.563 18.404 19.000 -0.055 0.000 0.818 278 A HN 0.527 nan 8.150 nan 0.000 0.443 279 E N -0.488 119.728 120.200 0.027 0.000 2.110 279 E HA -0.182 4.173 4.350 0.008 0.000 0.193 279 E C 2.267 178.903 176.600 0.060 0.000 0.988 279 E CA 1.154 57.588 56.400 0.056 0.000 0.804 279 E CB -0.175 29.557 29.700 0.053 0.000 0.745 279 E HN 0.556 nan 8.360 nan 0.000 0.458 280 R N 0.394 120.914 120.500 0.034 0.000 2.092 280 R HA -0.083 4.263 4.340 0.008 0.000 0.231 280 R C 2.400 178.711 176.300 0.017 0.000 1.119 280 R CA 0.901 57.018 56.100 0.028 0.000 0.970 280 R CB -0.247 30.058 30.300 0.009 0.000 0.864 280 R HN 0.045 nan 8.270 nan 0.000 0.440 281 V N 0.381 120.292 119.914 -0.006 0.000 2.295 281 V HA -0.219 3.906 4.120 0.008 0.000 0.246 281 V C 2.289 178.394 176.094 0.018 0.000 1.049 281 V CA 1.597 63.875 62.300 -0.037 0.000 1.024 281 V CB -0.287 31.479 31.823 -0.095 0.000 0.648 281 V HN 0.126 nan 8.190 nan 0.000 0.447 282 V N 0.706 120.675 119.914 0.091 0.000 2.343 282 V HA -0.242 3.883 4.120 0.008 0.000 0.247 282 V C 2.308 178.501 176.094 0.166 0.000 1.051 282 V CA 2.164 64.579 62.300 0.190 0.000 1.036 282 V CB -0.815 31.146 31.823 0.229 0.000 0.654 282 V HN 0.580 nan 8.190 nan 0.000 0.451 283 N N -0.046 118.739 118.700 0.142 0.000 2.244 283 N HA -0.159 4.586 4.740 0.008 0.000 0.183 283 N C 1.886 177.451 175.510 0.091 0.000 1.016 283 N CA 1.337 54.477 53.050 0.149 0.000 0.866 283 N CB -0.231 38.346 38.487 0.150 0.000 0.980 283 N HN 0.598 nan 8.380 nan 0.000 0.430 284 E N 1.140 121.374 120.200 0.058 0.000 2.106 284 E HA 0.006 4.361 4.350 0.008 0.000 0.192 284 E C 1.988 178.618 176.600 0.051 0.000 0.984 284 E CA 0.677 57.096 56.400 0.032 0.000 0.806 284 E CB -0.304 29.387 29.700 -0.014 0.000 0.750 284 E HN 0.272 nan 8.360 nan 0.000 0.458 285 L N -0.421 120.830 121.223 0.047 0.000 2.046 285 L HA -0.147 4.198 4.340 0.008 0.000 0.208 285 L C 2.425 179.349 176.870 0.090 0.000 1.077 285 L CA 0.898 55.787 54.840 0.081 0.000 0.747 285 L CB -0.370 41.733 42.059 0.073 0.000 0.896 285 L HN 0.096 nan 8.230 nan 0.000 0.432 286 V N -0.145 119.795 119.914 0.044 0.000 2.343 286 V HA -0.307 3.818 4.120 0.008 0.000 0.247 286 V C 2.680 178.720 176.094 -0.090 0.000 1.051 286 V CA 1.934 64.183 62.300 -0.085 0.000 1.036 286 V CB -0.683 30.996 31.823 -0.240 0.000 0.654 286 V HN 0.475 nan 8.190 nan 0.000 0.451 287 R N -0.864 119.626 120.500 -0.017 0.000 2.070 287 R HA -0.229 4.116 4.340 0.008 0.000 0.233 287 R C 2.421 178.724 176.300 0.005 0.000 1.137 287 R CA 2.267 58.363 56.100 -0.006 0.000 0.945 287 R CB -0.562 29.757 30.300 0.030 0.000 0.845 287 R HN 0.555 nan 8.270 nan 0.000 0.430 288 Y N 1.023 121.279 120.300 -0.073 0.000 2.224 288 Y HA -0.145 4.410 4.550 0.008 0.000 0.289 288 Y C 1.832 177.659 175.900 -0.122 0.000 1.146 288 Y CA 1.735 59.789 58.100 -0.077 0.000 1.182 288 Y CB -0.013 38.411 38.460 -0.059 0.000 0.983 288 Y HN 0.068 nan 8.280 nan 0.000 0.524 289 L N -1.387 119.776 121.223 -0.099 0.000 2.253 289 L HA 0.025 4.370 4.340 0.008 0.000 0.205 289 L C 1.080 177.752 176.870 -0.330 0.000 1.078 289 L CA 0.622 55.294 54.840 -0.279 0.000 0.805 289 L CB -0.537 41.444 42.059 -0.130 0.000 0.963 289 L HN -0.158 nan 8.230 nan 0.000 0.459 290 S N 0.668 116.234 115.700 -0.223 0.000 3.247 290 S HA -0.107 4.368 4.470 0.008 0.000 0.341 290 S C -1.380 173.095 174.600 -0.208 0.000 0.924 290 S CA 0.326 58.399 58.200 -0.212 0.000 1.323 290 S CB -0.851 62.236 63.200 -0.188 0.000 0.918 290 S HN 0.354 nan 8.310 nan 0.000 0.523 291 P HA -0.058 nan 4.420 nan 0.000 0.219 291 P C 0.424 177.705 177.300 -0.032 0.000 1.146 291 P CA 0.877 63.941 63.100 -0.059 0.000 0.808 291 P CB -0.052 31.702 31.700 0.089 0.000 0.779 292 V N 2.479 122.359 119.914 -0.057 0.000 2.223 292 V HA 0.062 4.187 4.120 0.008 0.000 0.249 292 V C 2.247 178.300 176.094 -0.069 0.000 1.233 292 V CA 0.212 62.490 62.300 -0.037 0.000 1.131 292 V CB -0.356 31.445 31.823 -0.037 0.000 1.298 292 V HN 0.124 nan 8.190 nan 0.000 0.498 293 Q N 3.648 123.402 119.800 -0.077 0.000 2.079 293 Q HA 0.039 4.384 4.340 0.008 0.000 0.200 293 Q C 0.865 176.810 176.000 -0.092 0.000 0.974 293 Q CA 1.420 57.154 55.803 -0.115 0.000 0.840 293 Q CB 0.248 28.895 28.738 -0.152 0.000 0.898 293 Q HN 0.742 nan 8.270 nan 0.000 0.430 294 A N 2.002 124.787 122.820 -0.060 0.000 2.499 294 A HA 0.492 4.817 4.320 0.008 0.000 0.280 294 A C -2.507 175.073 177.584 -0.006 0.000 1.135 294 A CA -1.400 50.613 52.037 -0.040 0.000 0.744 294 A CB 1.020 19.988 19.000 -0.053 0.000 1.213 294 A HN 0.267 nan 8.150 nan 0.000 0.434 295 P HA 0.157 nan 4.420 nan 0.000 0.293 295 P C -0.494 176.792 177.300 -0.025 0.000 1.298 295 P CA -0.620 62.466 63.100 -0.024 0.000 0.757 295 P CB 0.414 32.093 31.700 -0.036 0.000 1.262 296 N N 0.434 119.101 118.700 -0.055 0.000 2.357 296 N HA 0.056 4.801 4.740 0.008 0.000 0.257 296 N C -2.060 173.438 175.510 -0.019 0.000 1.250 296 N CA -0.320 52.700 53.050 -0.050 0.000 0.862 296 N CB -1.216 37.218 38.487 -0.087 0.000 1.066 296 N HN 0.250 nan 8.380 nan 0.000 0.468 297 P HA 0.108 nan 4.420 nan 0.000 0.266 297 P C -0.183 177.200 177.300 0.138 0.000 1.195 297 P CA 0.108 63.253 63.100 0.075 0.000 0.768 297 P CB 0.586 32.303 31.700 0.028 0.000 0.838 298 R N 2.249 122.811 120.500 0.103 0.000 2.229 298 R HA 0.434 4.779 4.340 0.008 0.000 0.328 298 R C -0.677 175.729 176.300 0.178 0.000 1.009 298 R CA -0.719 55.415 56.100 0.056 0.000 0.864 298 R CB 0.016 30.149 30.300 -0.278 0.000 1.085 298 R HN 0.344 nan 8.270 nan 0.000 0.453 299 L N 2.759 124.050 121.223 0.113 0.000 2.264 299 L HA 0.586 4.931 4.340 0.008 0.000 0.289 299 L C -0.389 176.522 176.870 0.068 0.000 1.044 299 L CA -0.389 54.340 54.840 -0.185 0.000 0.807 299 L CB 1.245 43.013 42.059 -0.484 0.000 1.192 299 L HN 0.771 nan 8.230 nan 0.000 0.425 300 A N 5.942 128.797 122.820 0.058 0.000 2.492 300 A HA 0.336 4.661 4.320 0.008 0.000 0.254 300 A C 0.948 178.425 177.584 -0.177 0.000 1.091 300 A CA 0.199 52.158 52.037 -0.130 0.000 0.768 300 A CB -0.324 18.600 19.000 -0.125 0.000 1.028 300 A HN 0.951 nan 8.150 nan 0.000 0.498 301 I N -1.521 118.924 120.570 -0.209 0.000 4.139 301 I HA 0.370 4.545 4.170 0.008 0.000 0.335 301 I C 0.231 176.268 176.117 -0.134 0.000 1.327 301 I CA 0.053 61.266 61.300 -0.145 0.000 1.112 301 I CB 0.040 37.973 38.000 -0.113 0.000 1.058 301 I HN 0.365 nan 8.210 nan 0.000 0.396 302 K N 1.697 121.999 120.400 -0.164 0.000 2.525 302 K HA 0.333 4.658 4.320 0.008 0.000 0.254 302 K C -1.422 175.103 176.600 -0.125 0.000 0.934 302 K CA -0.842 55.389 56.287 -0.093 0.000 0.802 302 K CB 2.349 34.842 32.500 -0.011 0.000 1.295 302 K HN -0.130 nan 8.250 nan 0.000 0.433 303 D N 1.583 121.926 120.400 -0.095 0.000 2.488 303 D HA 0.137 4.782 4.640 0.008 0.000 0.238 303 D C -0.815 175.361 176.300 -0.205 0.000 1.138 303 D CA 0.353 54.280 54.000 -0.122 0.000 0.873 303 D CB 1.142 41.900 40.800 -0.070 0.000 1.183 303 D HN 0.097 nan 8.370 nan 0.000 0.458 304 V N 2.758 122.498 119.914 -0.290 0.000 2.851 304 V HA 0.281 4.406 4.120 0.008 0.000 0.307 304 V C -1.057 174.865 176.094 -0.287 0.000 1.129 304 V CA -0.717 61.330 62.300 -0.421 0.000 0.932 304 V CB 2.286 33.603 31.823 -0.844 0.000 1.024 304 V HN 0.245 nan 8.190 nan 0.000 0.426 305 V N 7.794 127.567 119.914 -0.235 0.000 2.432 305 V HA 0.515 4.640 4.120 0.008 0.000 0.271 305 V C -0.021 175.975 176.094 -0.165 0.000 1.046 305 V CA -0.014 62.186 62.300 -0.168 0.000 0.945 305 V CB 1.102 32.858 31.823 -0.112 0.000 0.992 305 V HN 0.648 nan 8.190 nan 0.000 0.471 306 I N 3.742 124.212 120.570 -0.167 0.000 2.478 306 I HA 0.332 4.507 4.170 0.008 0.000 0.287 306 I C -0.005 176.045 176.117 -0.111 0.000 1.042 306 I CA -0.598 60.621 61.300 -0.134 0.000 1.067 306 I CB 1.730 39.646 38.000 -0.141 0.000 1.233 306 I HN 0.690 nan 8.210 nan 0.000 0.431 307 D N 5.439 125.799 120.400 -0.067 0.000 2.704 307 D HA -0.199 4.446 4.640 0.008 0.000 0.232 307 D C 1.113 177.398 176.300 -0.026 0.000 1.183 307 D CA 1.674 55.653 54.000 -0.035 0.000 0.647 307 D CB -0.577 40.211 40.800 -0.021 0.000 1.013 307 D HN 1.115 nan 8.370 nan 0.000 0.415 308 G N -0.612 108.169 108.800 -0.032 0.000 2.184 308 G HA2 -0.321 3.644 3.960 0.008 0.000 0.264 308 G HA3 -0.321 3.644 3.960 0.008 0.000 0.264 308 G C 0.067 174.959 174.900 -0.013 0.000 0.975 308 G CA 0.643 45.734 45.100 -0.014 0.000 0.642 308 G HN 0.558 nan 8.290 nan 0.000 0.536 309 Q N -0.485 119.279 119.800 -0.060 0.000 2.345 309 Q HA 0.616 4.961 4.340 0.008 0.000 0.268 309 Q C -0.525 175.386 176.000 -0.148 0.000 1.054 309 Q CA -0.916 54.842 55.803 -0.075 0.000 0.835 309 Q CB 2.198 30.827 28.738 -0.182 0.000 1.339 309 Q HN 0.249 nan 8.270 nan 0.000 0.447 310 L N 3.902 125.087 121.223 -0.064 0.000 2.262 310 L HA 0.472 4.817 4.340 0.008 0.000 0.288 310 L C -0.770 176.052 176.870 -0.080 0.000 1.035 310 L CA -0.345 54.453 54.840 -0.070 0.000 0.820 310 L CB 0.304 42.371 42.059 0.012 0.000 1.204 310 L HN 0.637 nan 8.230 nan 0.000 0.424 311 I N 5.320 125.750 120.570 -0.234 0.000 2.325 311 I HA 0.230 4.405 4.170 0.008 0.000 0.291 311 I C 0.378 176.473 176.117 -0.037 0.000 1.019 311 I CA -0.337 60.825 61.300 -0.230 0.000 1.302 311 I CB 1.202 38.960 38.000 -0.403 0.000 1.401 311 I HN 0.525 nan 8.210 nan 0.000 0.485 312 K N 5.314 125.792 120.400 0.130 0.000 2.143 312 K HA 0.576 4.901 4.320 0.008 0.000 0.272 312 K C -0.038 176.574 176.600 0.020 0.000 1.001 312 K CA -0.571 55.761 56.287 0.075 0.000 0.915 312 K CB 1.233 33.818 32.500 0.141 0.000 1.047 312 K HN 0.708 nan 8.250 nan 0.000 0.458 313 A N 2.372 125.168 122.820 -0.040 0.000 2.567 313 A HA 0.308 4.633 4.320 0.008 0.000 0.240 313 A C 1.142 178.691 177.584 -0.059 0.000 1.053 313 A CA 1.126 53.118 52.037 -0.075 0.000 0.755 313 A CB -0.749 18.206 19.000 -0.074 0.000 0.978 313 A HN 1.078 nan 8.150 nan 0.000 0.507 314 G N 2.093 110.829 108.800 -0.106 0.000 2.254 314 G HA2 -0.179 3.787 3.960 0.008 0.000 0.225 314 G HA3 -0.179 3.787 3.960 0.008 0.000 0.225 314 G C -0.036 174.769 174.900 -0.158 0.000 1.003 314 G CA 0.274 45.295 45.100 -0.131 0.000 0.622 314 G HN 0.816 nan 8.290 nan 0.000 0.507 315 D N 0.158 120.523 120.400 -0.058 0.000 2.341 315 D HA 0.567 5.212 4.640 0.008 0.000 0.245 315 D C -0.024 176.265 176.300 -0.019 0.000 1.106 315 D CA 0.155 54.167 54.000 0.019 0.000 0.905 315 D CB 0.552 41.554 40.800 0.336 0.000 1.202 315 D HN 0.276 nan 8.370 nan 0.000 0.426 316 Y N -0.121 120.218 120.300 0.064 0.000 2.387 316 Y HA 0.454 5.009 4.550 0.008 0.000 0.330 316 Y C 0.096 176.112 175.900 0.193 0.000 1.133 316 Y CA -0.673 57.481 58.100 0.089 0.000 1.152 316 Y CB 1.573 40.031 38.460 -0.002 0.000 1.215 316 Y HN -0.019 nan 8.280 nan 0.000 0.466 317 V N 4.941 125.047 119.914 0.321 0.000 2.483 317 V HA 0.320 4.445 4.120 0.008 0.000 0.297 317 V C -0.593 175.572 176.094 0.118 0.000 1.027 317 V CA -0.998 61.433 62.300 0.217 0.000 0.855 317 V CB 1.421 33.250 31.823 0.012 0.000 0.995 317 V HN 0.550 nan 8.190 nan 0.000 0.424 318 L N 3.729 125.028 121.223 0.127 0.000 2.292 318 L HA 0.484 4.829 4.340 0.008 0.000 0.284 318 L C -0.397 176.495 176.870 0.036 0.000 1.065 318 L CA -0.230 54.658 54.840 0.079 0.000 0.806 318 L CB 1.217 43.349 42.059 0.122 0.000 1.175 318 L HN 0.581 nan 8.230 nan 0.000 0.431 319 C N 2.023 121.322 119.300 -0.002 0.000 2.264 319 C HA 0.270 4.736 4.460 0.008 0.000 0.324 319 C C 0.902 175.887 174.990 -0.009 0.000 1.267 319 C CA -0.590 58.416 59.018 -0.020 0.000 1.618 319 C CB 0.790 28.499 27.740 -0.052 0.000 2.278 319 C HN 0.799 nan 8.230 nan 0.000 0.499 320 S N 3.461 119.168 115.700 0.011 0.000 2.409 320 S HA 0.325 4.800 4.470 0.008 0.000 0.308 320 S C 1.129 175.718 174.600 -0.018 0.000 1.080 320 S CA -0.546 57.647 58.200 -0.012 0.000 1.081 320 S CB -0.181 63.028 63.200 0.015 0.000 1.009 320 S HN 0.631 nan 8.310 nan 0.000 0.502 321 I N 4.461 125.007 120.570 -0.039 0.000 2.252 321 I HA -0.148 4.027 4.170 0.008 0.000 0.245 321 I C 2.213 178.294 176.117 -0.060 0.000 1.102 321 I CA 0.768 62.048 61.300 -0.033 0.000 1.385 321 I CB -0.223 37.749 38.000 -0.046 0.000 1.064 321 I HN 0.570 nan 8.210 nan 0.000 0.414 322 L N 0.536 121.692 121.223 -0.112 0.000 1.989 322 L HA -0.242 4.103 4.340 0.008 0.000 0.211 322 L C 2.432 179.208 176.870 -0.157 0.000 1.071 322 L CA 2.076 56.817 54.840 -0.165 0.000 0.749 322 L CB -0.517 41.408 42.059 -0.223 0.000 0.890 322 L HN 0.127 nan 8.230 nan 0.000 0.431 323 M N -0.731 118.777 119.600 -0.153 0.000 2.175 323 M HA -0.079 4.406 4.480 0.008 0.000 0.264 323 M C 2.428 178.698 176.300 -0.050 0.000 1.063 323 M CA 1.591 56.790 55.300 -0.167 0.000 1.119 323 M CB -1.589 30.901 32.600 -0.182 0.000 1.377 323 M HN 0.471 nan 8.290 nan 0.000 0.415 324 A N 0.931 123.763 122.820 0.020 0.000 1.940 324 A HA -0.182 4.143 4.320 0.008 0.000 0.219 324 A C 1.879 179.541 177.584 0.130 0.000 1.176 324 A CA 1.774 53.877 52.037 0.110 0.000 0.631 324 A CB -0.774 18.299 19.000 0.121 0.000 0.814 324 A HN 0.495 nan 8.150 nan 0.000 0.446 325 N N -0.682 118.049 118.700 0.051 0.000 2.521 325 N HA -0.019 4.726 4.740 0.008 0.000 0.188 325 N C 0.928 176.433 175.510 -0.009 0.000 1.146 325 N CA 0.386 53.447 53.050 0.017 0.000 0.893 325 N CB -0.027 38.451 38.487 -0.014 0.000 0.975 325 N HN 0.269 nan 8.380 nan 0.000 0.451 326 R N 0.346 120.846 120.500 -0.001 0.000 2.393 326 R HA 0.140 4.485 4.340 0.008 0.000 0.244 326 R C -0.291 176.048 176.300 0.066 0.000 0.920 326 R CA -0.244 55.881 56.100 0.042 0.000 1.076 326 R CB -0.251 30.095 30.300 0.077 0.000 1.119 326 R HN 0.107 nan 8.270 nan 0.000 0.524 327 D N 1.040 121.465 120.400 0.042 0.000 2.351 327 D HA 0.015 4.660 4.640 0.008 0.000 0.251 327 D C 0.520 176.828 176.300 0.014 0.000 1.137 327 D CA 0.065 54.096 54.000 0.052 0.000 0.879 327 D CB 1.224 42.085 40.800 0.103 0.000 1.181 327 D HN -0.097 nan 8.370 nan 0.000 0.448 328 E N 2.140 122.356 120.200 0.026 0.000 2.267 328 E HA -0.136 4.219 4.350 0.008 0.000 0.197 328 E C 1.712 178.307 176.600 -0.009 0.000 0.998 328 E CA 1.053 57.456 56.400 0.005 0.000 0.830 328 E CB -0.064 29.644 29.700 0.013 0.000 0.751 328 E HN 0.535 nan 8.360 nan 0.000 0.491 329 A N 0.204 123.032 122.820 0.013 0.000 2.015 329 A HA -0.103 4.222 4.320 0.008 0.000 0.219 329 A C 2.031 179.572 177.584 -0.070 0.000 1.163 329 A CA 0.959 53.011 52.037 0.024 0.000 0.646 329 A CB -0.296 18.774 19.000 0.116 0.000 0.806 329 A HN 0.288 nan 8.150 nan 0.000 0.448 330 L N -1.926 119.177 121.223 -0.200 0.000 2.127 330 L HA 0.236 4.581 4.340 0.008 0.000 0.203 330 L C 0.768 177.493 176.870 -0.243 0.000 1.080 330 L CA 2.102 56.672 54.840 -0.449 0.000 0.768 330 L CB 0.173 41.845 42.059 -0.645 0.000 0.924 330 L HN 0.291 nan 8.230 nan 0.000 0.444 331 T N -1.098 113.372 114.554 -0.141 0.000 2.957 331 T HA 0.434 4.789 4.350 0.008 0.000 0.336 331 T C -2.918 171.753 174.700 -0.047 0.000 1.462 331 T CA -1.186 60.863 62.100 -0.086 0.000 1.073 331 T CB 1.539 70.357 68.868 -0.083 0.000 1.319 331 T HN -0.224 nan 8.240 nan 0.000 0.485 332 P HA 0.302 nan 4.420 nan 0.000 0.271 332 P C -0.608 176.682 177.300 -0.017 0.000 1.216 332 P CA 0.327 63.414 63.100 -0.022 0.000 0.776 332 P CB 0.195 31.882 31.700 -0.021 0.000 0.881 333 D N 1.916 122.308 120.400 -0.013 0.000 2.735 333 D HA -0.131 4.514 4.640 0.008 0.000 0.235 333 D C -1.273 175.032 176.300 0.009 0.000 1.175 333 D CA 0.280 54.275 54.000 -0.008 0.000 0.683 333 D CB -0.507 40.283 40.800 -0.015 0.000 1.008 333 D HN 0.411 nan 8.370 nan 0.000 0.416 334 P HA -0.112 nan 4.420 nan 0.000 0.226 334 P C 0.669 178.035 177.300 0.109 0.000 1.153 334 P CA 0.791 63.918 63.100 0.045 0.000 0.777 334 P CB 0.388 32.105 31.700 0.028 0.000 0.794 335 D N -0.257 120.200 120.400 0.095 0.000 2.328 335 D HA 0.098 4.743 4.640 0.008 0.000 0.221 335 D C 0.382 176.815 176.300 0.222 0.000 1.072 335 D CA 0.167 54.259 54.000 0.153 0.000 0.850 335 D CB 0.808 41.625 40.800 0.029 0.000 0.922 335 D HN 0.100 nan 8.370 nan 0.000 0.516 336 V N 1.495 121.483 119.914 0.122 0.000 2.547 336 V HA 0.213 4.338 4.120 0.008 0.000 0.299 336 V C -0.069 175.953 176.094 -0.121 0.000 1.040 336 V CA -0.982 61.322 62.300 0.006 0.000 0.913 336 V CB 2.473 34.278 31.823 -0.031 0.000 0.992 336 V HN -0.048 nan 8.190 nan 0.000 0.449 337 L N 4.279 125.266 121.223 -0.394 0.000 2.283 337 L HA 0.587 4.932 4.340 0.008 0.000 0.287 337 L C -0.609 176.104 176.870 -0.262 0.000 1.073 337 L CA 0.642 55.151 54.840 -0.553 0.000 0.822 337 L CB 0.479 42.058 42.059 -0.801 0.000 1.186 337 L HN 0.741 nan 8.230 nan 0.000 0.436 338 D N 3.643 123.942 120.400 -0.168 0.000 2.319 338 D HA 0.343 4.988 4.640 0.008 0.000 0.237 338 D C 0.433 176.684 176.300 -0.083 0.000 1.353 338 D CA 0.121 54.053 54.000 -0.113 0.000 0.992 338 D CB 1.684 42.436 40.800 -0.080 0.000 1.368 338 D HN 0.576 nan 8.370 nan 0.000 0.564 339 A N 3.421 126.189 122.820 -0.087 0.000 2.172 339 A HA -0.099 4.226 4.320 0.008 0.000 0.216 339 A C 1.571 179.130 177.584 -0.042 0.000 1.154 339 A CA 0.615 52.616 52.037 -0.060 0.000 0.701 339 A CB -0.156 18.803 19.000 -0.068 0.000 0.789 339 A HN 0.489 nan 8.150 nan 0.000 0.465 340 N N 0.353 119.026 118.700 -0.045 0.000 2.467 340 N HA -0.024 4.721 4.740 0.008 0.000 0.184 340 N C 0.791 176.286 175.510 -0.026 0.000 1.106 340 N CA 0.240 53.271 53.050 -0.032 0.000 0.892 340 N CB -0.166 38.301 38.487 -0.033 0.000 0.969 340 N HN 0.760 nan 8.380 nan 0.000 0.454 341 R N 0.373 120.856 120.500 -0.028 0.000 2.738 341 R HA 0.401 4.746 4.340 0.008 0.000 0.268 341 R C 0.029 176.319 176.300 -0.016 0.000 1.062 341 R CA -0.368 55.718 56.100 -0.023 0.000 1.158 341 R CB 0.432 30.716 30.300 -0.026 0.000 1.046 341 R HN -0.154 nan 8.270 nan 0.000 0.493 342 A N 1.792 124.603 122.820 -0.015 0.000 2.477 342 A HA 0.393 4.718 4.320 0.008 0.000 0.246 342 A C 0.407 177.987 177.584 -0.008 0.000 1.078 342 A CA 0.046 52.078 52.037 -0.009 0.000 0.770 342 A CB -0.041 18.953 19.000 -0.010 0.000 1.011 342 A HN 0.943 nan 8.150 nan 0.000 0.494 343 A N 1.952 124.773 122.820 0.003 0.000 2.531 343 A HA 0.475 4.800 4.320 0.008 0.000 0.236 343 A C 0.519 178.107 177.584 0.006 0.000 1.062 343 A CA 0.573 52.617 52.037 0.012 0.000 0.760 343 A CB -0.411 18.604 19.000 0.026 0.000 0.995 343 A HN 2.191 nan 8.150 nan 0.000 0.501 344 V N -0.668 119.249 119.914 0.005 0.000 3.160 344 V HA 0.703 4.828 4.120 0.008 0.000 0.310 344 V C 0.147 176.256 176.094 0.024 0.000 1.181 344 V CA -0.594 61.698 62.300 -0.013 0.000 1.047 344 V CB 1.770 33.545 31.823 -0.080 0.000 1.068 344 V HN 0.715 nan 8.190 nan 0.000 0.441 345 S N 2.022 117.743 115.700 0.036 0.000 4.120 345 S HA 0.246 4.721 4.470 0.008 0.000 0.196 345 S C -0.003 174.699 174.600 0.170 0.000 1.447 345 S CA -0.183 58.088 58.200 0.118 0.000 0.939 345 S CB -1.433 61.851 63.200 0.140 0.000 1.496 345 S HN 1.067 nan 8.310 nan 0.000 0.460 346 D N -0.010 120.465 120.400 0.125 0.000 2.363 346 D HA 0.121 4.766 4.640 0.008 0.000 0.240 346 D C 0.980 177.425 176.300 0.241 0.000 1.236 346 D CA -0.716 53.372 54.000 0.147 0.000 0.927 346 D CB 0.568 41.411 40.800 0.070 0.000 1.150 346 D HN 0.187 nan 8.370 nan 0.000 0.458 347 V N -2.158 117.886 119.914 0.218 0.000 3.121 347 V HA 0.436 4.561 4.120 0.008 0.000 0.344 347 V C 1.629 177.771 176.094 0.080 0.000 1.390 347 V CA 0.114 62.525 62.300 0.186 0.000 1.177 347 V CB -0.140 31.771 31.823 0.147 0.000 1.163 347 V HN 0.717 nan 8.190 nan 0.000 0.484 348 G N 0.736 109.541 108.800 0.007 0.000 2.442 348 G HA2 -0.196 3.769 3.960 0.008 0.000 0.219 348 G HA3 -0.196 3.769 3.960 0.008 0.000 0.219 348 G C 0.883 175.593 174.900 -0.316 0.000 1.141 348 G CA 1.081 46.069 45.100 -0.186 0.000 0.763 348 G HN 0.571 nan 8.290 nan 0.000 0.554 349 F N 1.316 121.220 119.950 -0.076 0.000 2.641 349 F HA 0.440 4.972 4.527 0.008 0.000 0.302 349 F C 1.562 177.138 175.800 -0.374 0.000 1.098 349 F CA 0.055 57.875 58.000 -0.301 0.000 1.318 349 F CB 0.321 38.997 39.000 -0.540 0.000 1.035 349 F HN 0.413 nan 8.300 nan 0.000 0.551 350 G N 0.223 109.050 108.800 0.045 0.000 2.587 350 G HA2 -0.087 3.878 3.960 0.008 0.000 0.212 350 G HA3 -0.087 3.878 3.960 0.008 0.000 0.212 350 G C -1.391 173.733 174.900 0.374 0.000 1.327 350 G CA -0.434 44.744 45.100 0.129 0.000 0.898 350 G HN 0.571 nan 8.290 nan 0.000 0.551 351 H N -0.841 118.382 119.070 0.255 0.000 3.151 351 H HA 0.675 5.236 4.556 0.008 0.000 0.333 351 H C 0.433 175.878 175.328 0.195 0.000 1.093 351 H CA 1.921 58.134 56.048 0.275 0.000 1.342 351 H CB 1.039 30.892 29.762 0.151 0.000 1.983 351 H HN 2.688 nan 8.280 nan 0.000 0.503 352 G N 2.678 111.214 108.800 -0.439 0.000 2.451 352 G HA2 -0.210 3.755 3.960 0.008 0.000 0.208 352 G HA3 -0.210 3.755 3.960 0.008 0.000 0.208 352 G C 1.251 176.089 174.900 -0.103 0.000 1.248 352 G CA 0.059 44.971 45.100 -0.314 0.000 0.989 352 G HN 1.259 nan 8.290 nan 0.000 0.559 353 I N -2.413 118.075 120.570 -0.137 0.000 2.454 353 I HA -0.014 4.161 4.170 0.008 0.000 0.254 353 I C 1.753 177.702 176.117 -0.279 0.000 1.156 353 I CA 2.074 63.226 61.300 -0.247 0.000 1.433 353 I CB -0.347 37.339 38.000 -0.524 0.000 1.082 353 I HN 0.464 nan 8.210 nan 0.000 0.432 354 H N 0.043 119.071 119.070 -0.070 0.000 2.526 354 H HA 0.121 4.682 4.556 0.008 0.000 0.274 354 H C -0.168 175.200 175.328 0.067 0.000 0.999 354 H CA -0.431 55.607 56.048 -0.016 0.000 1.157 354 H CB -0.528 29.197 29.762 -0.062 0.000 1.407 354 H HN 0.406 nan 8.280 nan 0.000 0.568 355 Y N 1.752 122.089 120.300 0.060 0.000 2.969 355 Y HA -0.168 4.387 4.550 0.008 0.000 0.339 355 Y C 0.744 176.673 175.900 0.049 0.000 1.272 355 Y CA -0.373 57.769 58.100 0.071 0.000 1.577 355 Y CB 0.217 38.697 38.460 0.033 0.000 1.234 355 Y HN 0.247 nan 8.280 nan 0.000 0.590 356 C N 7.776 126.820 119.300 -0.427 0.000 2.106 356 C HA -0.108 4.357 4.460 0.008 0.000 0.402 356 C C 1.835 176.696 174.990 -0.214 0.000 1.548 356 C CA 0.571 59.428 59.018 -0.268 0.000 1.432 356 C CB -1.530 26.084 27.740 -0.210 0.000 2.584 356 C HN 0.959 nan 8.230 nan 0.000 0.604 357 V N 6.427 126.204 119.914 -0.229 0.000 2.809 357 V HA 0.098 4.223 4.120 0.008 0.000 0.256 357 V C 1.993 177.691 176.094 -0.660 0.000 1.080 357 V CA 2.415 64.486 62.300 -0.383 0.000 1.102 357 V CB -0.288 31.250 31.823 -0.476 0.000 0.705 357 V HN 1.090 nan 8.190 nan 0.000 0.475 358 G N -1.691 106.796 108.800 -0.522 0.000 3.189 358 G HA2 0.239 4.204 3.960 0.008 0.000 0.225 358 G HA3 0.239 4.204 3.960 0.008 0.000 0.225 358 G C 1.472 176.259 174.900 -0.188 0.000 1.159 358 G CA 0.613 45.512 45.100 -0.335 0.000 0.763 358 G HN 0.589 nan 8.290 nan 0.000 0.549 359 A N 1.416 124.000 122.820 -0.394 0.000 1.892 359 A HA 0.091 4.416 4.320 0.008 0.000 0.218 359 A C 2.770 180.115 177.584 -0.397 0.000 1.188 359 A CA 2.368 53.919 52.037 -0.810 0.000 0.631 359 A CB -0.733 17.614 19.000 -1.088 0.000 0.822 359 A HN 0.748 nan 8.150 nan 0.000 0.447 360 A N -0.816 121.912 122.820 -0.155 0.000 1.933 360 A HA 0.007 4.332 4.320 0.008 0.000 0.218 360 A C 2.148 179.747 177.584 0.024 0.000 1.175 360 A CA 1.737 53.754 52.037 -0.034 0.000 0.628 360 A CB -0.578 18.438 19.000 0.026 0.000 0.814 360 A HN 0.789 nan 8.150 nan 0.000 0.444 361 L N -0.240 121.030 121.223 0.078 0.000 2.027 361 L HA -0.003 4.342 4.340 0.008 0.000 0.206 361 L C 2.616 179.534 176.870 0.081 0.000 1.074 361 L CA 2.220 57.124 54.840 0.106 0.000 0.745 361 L CB -0.870 41.310 42.059 0.201 0.000 0.898 361 L HN 0.315 nan 8.230 nan 0.000 0.433 362 A N -0.214 122.655 122.820 0.081 0.000 1.883 362 A HA -0.229 4.096 4.320 0.008 0.000 0.217 362 A C 2.423 180.087 177.584 0.134 0.000 1.186 362 A CA 1.891 54.006 52.037 0.130 0.000 0.624 362 A CB -0.589 18.565 19.000 0.257 0.000 0.822 362 A HN 0.523 nan 8.150 nan 0.000 0.444 363 R N -0.687 119.886 120.500 0.121 0.000 2.091 363 R HA -0.118 4.227 4.340 0.008 0.000 0.238 363 R C 2.681 179.034 176.300 0.088 0.000 1.136 363 R CA 1.554 57.736 56.100 0.136 0.000 0.959 363 R CB -0.437 29.927 30.300 0.107 0.000 0.856 363 R HN 0.587 nan 8.270 nan 0.000 0.437 364 S N 0.528 116.265 115.700 0.062 0.000 2.355 364 S HA -0.120 4.355 4.470 0.008 0.000 0.222 364 S C 2.022 176.642 174.600 0.032 0.000 1.031 364 S CA 1.088 59.316 58.200 0.048 0.000 0.993 364 S CB 0.008 63.233 63.200 0.042 0.000 0.859 364 S HN 0.185 nan 8.310 nan 0.000 0.453 365 M N 0.682 120.296 119.600 0.023 0.000 2.117 365 M HA -0.042 4.443 4.480 0.008 0.000 0.262 365 M C 2.172 178.430 176.300 -0.071 0.000 1.065 365 M CA 1.313 56.607 55.300 -0.010 0.000 1.114 365 M CB -0.610 31.984 32.600 -0.009 0.000 1.361 365 M HN 0.349 nan 8.290 nan 0.000 0.408 366 L N -0.579 120.592 121.223 -0.086 0.000 2.056 366 L HA -0.200 4.145 4.340 0.008 0.000 0.207 366 L C 2.732 179.452 176.870 -0.251 0.000 1.078 366 L CA 1.238 55.908 54.840 -0.283 0.000 0.749 366 L CB -0.735 41.255 42.059 -0.115 0.000 0.901 366 L HN 0.338 nan 8.230 nan 0.000 0.433 367 R N 0.498 120.997 120.500 -0.001 0.000 2.083 367 R HA -0.190 4.155 4.340 0.008 0.000 0.237 367 R C 2.325 178.667 176.300 0.070 0.000 1.137 367 R CA 1.706 57.857 56.100 0.084 0.000 0.951 367 R CB -0.176 30.169 30.300 0.075 0.000 0.851 367 R HN 0.266 nan 8.270 nan 0.000 0.434 368 M N 0.042 119.668 119.600 0.044 0.000 2.117 368 M HA -0.096 4.389 4.480 0.008 0.000 0.262 368 M C 2.507 178.878 176.300 0.117 0.000 1.065 368 M CA 1.786 57.133 55.300 0.078 0.000 1.114 368 M CB -0.259 32.378 32.600 0.061 0.000 1.361 368 M HN 0.311 nan 8.290 nan 0.000 0.408 369 A N 0.043 122.890 122.820 0.046 0.000 1.865 369 A HA -0.196 4.129 4.320 0.008 0.000 0.217 369 A C 1.944 179.714 177.584 0.310 0.000 1.191 369 A CA 1.605 53.739 52.037 0.161 0.000 0.623 369 A CB -1.319 17.627 19.000 -0.090 0.000 0.826 369 A HN 0.553 nan 8.150 nan 0.000 0.444 370 Y N -0.288 120.203 120.300 0.318 0.000 2.145 370 Y HA -0.252 4.304 4.550 0.009 0.000 0.286 370 Y C 2.910 179.052 175.900 0.403 0.000 1.145 370 Y CA 1.349 59.691 58.100 0.403 0.000 1.148 370 Y CB -0.334 38.301 38.460 0.292 0.000 0.981 370 Y HN 0.379 nan 8.280 nan 0.000 0.507 371 Q N -0.320 119.705 119.800 0.374 0.000 2.050 371 Q HA -0.153 4.192 4.340 0.008 0.000 0.202 371 Q C 2.197 178.476 176.000 0.465 0.000 0.980 371 Q CA 2.070 58.067 55.803 0.324 0.000 0.840 371 Q CB -0.325 28.502 28.738 0.148 0.000 0.898 371 Q HN 0.430 nan 8.270 nan 0.000 0.424 372 T N 1.619 116.359 114.554 0.310 0.000 2.777 372 T HA -0.134 4.221 4.350 0.008 0.000 0.266 372 T C 1.783 176.582 174.700 0.165 0.000 1.040 372 T CA 0.932 63.158 62.100 0.210 0.000 1.141 372 T CB -0.269 68.695 68.868 0.160 0.000 0.868 372 T HN 0.128 nan 8.240 nan 0.000 0.444 373 L N 0.150 121.487 121.223 0.189 0.000 1.989 373 L HA -0.036 4.309 4.340 0.008 0.000 0.211 373 L C 2.120 179.024 176.870 0.056 0.000 1.071 373 L CA 1.754 56.604 54.840 0.017 0.000 0.749 373 L CB -0.751 41.251 42.059 -0.095 0.000 0.890 373 L HN 0.386 nan 8.230 nan 0.000 0.431 374 W N -0.051 121.402 121.300 0.256 0.000 2.519 374 W HA -0.039 4.627 4.660 0.009 0.000 0.266 374 W C 2.660 179.225 176.519 0.077 0.000 1.253 374 W CA 0.801 58.287 57.345 0.236 0.000 1.274 374 W CB -0.192 29.500 29.460 0.388 0.000 1.114 374 W HN 0.269 nan 8.180 nan 0.000 0.596 375 R N 0.010 120.660 120.500 0.250 0.000 2.075 375 R HA -0.095 4.250 4.340 0.008 0.000 0.232 375 R C 2.245 178.469 176.300 -0.127 0.000 1.126 375 R CA 1.177 57.280 56.100 0.005 0.000 0.963 375 R CB -0.221 30.113 30.300 0.056 0.000 0.858 375 R HN 0.045 nan 8.270 nan 0.000 0.435 376 R N -0.927 119.439 120.500 -0.224 0.000 2.161 376 R HA 0.036 4.381 4.340 0.008 0.000 0.213 376 R C 0.033 175.734 176.300 -0.999 0.000 1.055 376 R CA 0.714 56.449 56.100 -0.610 0.000 0.996 376 R CB 0.377 30.204 30.300 -0.788 0.000 0.901 376 R HN 0.083 nan 8.270 nan 0.000 0.456 377 F N 0.684 120.452 119.950 -0.303 0.000 2.584 377 F HA 0.295 4.827 4.527 0.008 0.000 0.328 377 F C -1.673 174.028 175.800 -0.164 0.000 1.407 377 F CA -2.096 55.687 58.000 -0.362 0.000 1.145 377 F CB 1.581 40.200 39.000 -0.634 0.000 1.440 377 F HN -0.147 nan 8.300 nan 0.000 0.580 378 P HA -0.116 nan 4.420 nan 0.000 0.221 378 P C 1.348 178.813 177.300 0.276 0.000 1.145 378 P CA 1.173 64.398 63.100 0.208 0.000 0.795 378 P CB 0.330 32.087 31.700 0.094 0.000 0.775 379 G N -0.249 108.693 108.800 0.235 0.000 3.448 379 G HA2 0.178 4.143 3.960 0.008 0.000 0.261 379 G HA3 0.178 4.143 3.960 0.008 0.000 0.261 379 G C 0.236 175.300 174.900 0.274 0.000 1.173 379 G CA -0.303 44.947 45.100 0.250 0.000 0.835 379 G HN 0.169 nan 8.290 nan 0.000 0.534 380 L N 1.030 122.388 121.223 0.226 0.000 2.593 380 L HA 0.249 4.594 4.340 0.008 0.000 0.287 380 L C 0.494 177.479 176.870 0.190 0.000 1.243 380 L CA 0.638 55.553 54.840 0.126 0.000 0.890 380 L CB 0.265 42.155 42.059 -0.282 0.000 1.134 380 L HN 0.253 nan 8.230 nan 0.000 0.502 381 R N 3.766 124.357 120.500 0.152 0.000 2.566 381 R HA 0.424 4.769 4.340 0.008 0.000 0.271 381 R C -1.597 174.757 176.300 0.090 0.000 1.071 381 R CA -1.037 55.142 56.100 0.132 0.000 0.915 381 R CB 1.108 31.474 30.300 0.109 0.000 1.228 381 R HN 0.580 nan 8.270 nan 0.000 0.449 382 L N 3.398 124.675 121.223 0.090 0.000 2.453 382 L HA 0.253 4.598 4.340 0.008 0.000 0.272 382 L C 0.653 177.544 176.870 0.035 0.000 1.182 382 L CA 0.937 55.816 54.840 0.064 0.000 0.858 382 L CB 1.308 43.413 42.059 0.077 0.000 1.120 382 L HN 0.890 nan 8.230 nan 0.000 0.474 383 A N 4.934 127.762 122.820 0.013 0.000 2.275 383 A HA 0.421 4.746 4.320 0.008 0.000 0.212 383 A C 0.160 177.739 177.584 -0.008 0.000 1.201 383 A CA 0.573 52.604 52.037 -0.010 0.000 0.843 383 A CB -0.504 18.476 19.000 -0.035 0.000 0.873 383 A HN 0.693 nan 8.150 nan 0.000 0.492 384 V N -5.158 114.758 119.914 0.003 0.000 3.102 384 V HA 0.640 4.765 4.120 0.008 0.000 0.312 384 V C -3.321 172.782 176.094 0.016 0.000 1.135 384 V CA -2.931 59.370 62.300 0.001 0.000 1.022 384 V CB 1.155 32.973 31.823 -0.009 0.000 1.056 384 V HN -0.025 nan 8.190 nan 0.000 0.436 385 P HA 0.315 nan 4.420 nan 0.000 0.268 385 P C 0.970 178.294 177.300 0.040 0.000 1.205 385 P CA 0.077 63.194 63.100 0.028 0.000 0.771 385 P CB 0.674 32.388 31.700 0.022 0.000 0.858 386 I N 2.287 122.892 120.570 0.058 0.000 2.315 386 I HA -0.315 3.861 4.170 0.008 0.000 0.251 386 I C 1.240 177.412 176.117 0.092 0.000 1.125 386 I CA 1.777 63.128 61.300 0.085 0.000 1.392 386 I CB 0.138 38.198 38.000 0.100 0.000 1.065 386 I HN 0.399 nan 8.210 nan 0.000 0.424 387 E N 0.365 120.609 120.200 0.073 0.000 2.478 387 E HA -0.168 4.187 4.350 0.008 0.000 0.198 387 E C 1.665 178.295 176.600 0.050 0.000 1.046 387 E CA 0.535 56.981 56.400 0.077 0.000 0.870 387 E CB -0.050 29.687 29.700 0.063 0.000 0.818 387 E HN 0.541 nan 8.360 nan 0.000 0.527 388 E N -0.129 120.085 120.200 0.024 0.000 2.442 388 E HA 0.032 4.387 4.350 0.008 0.000 0.195 388 E C -0.243 176.324 176.600 -0.056 0.000 1.030 388 E CA -0.081 56.314 56.400 -0.008 0.000 0.869 388 E CB 0.598 30.292 29.700 -0.010 0.000 0.857 388 E HN -0.000 nan 8.360 nan 0.000 0.505 389 V N 3.080 122.950 119.914 -0.074 0.000 2.521 389 V HA 0.001 4.126 4.120 0.008 0.000 0.286 389 V C 0.387 176.215 176.094 -0.444 0.000 1.034 389 V CA 0.214 62.379 62.300 -0.225 0.000 1.045 389 V CB 0.634 32.341 31.823 -0.194 0.000 0.974 389 V HN 0.050 nan 8.190 nan 0.000 0.480 390 K N 3.959 124.068 120.400 -0.486 0.000 2.118 390 K HA 0.576 4.901 4.320 0.008 0.000 0.254 390 K C -1.117 175.042 176.600 -0.736 0.000 0.961 390 K CA -0.537 55.470 56.287 -0.466 0.000 0.876 390 K CB 1.729 34.111 32.500 -0.196 0.000 1.077 390 K HN 0.523 nan 8.250 nan 0.000 0.440 391 Y N 0.219 120.522 120.300 0.005 0.000 2.446 391 Y HA 0.397 4.952 4.550 0.008 0.000 0.345 391 Y C 0.678 176.577 175.900 -0.003 0.000 0.984 391 Y CA -0.932 57.167 58.100 -0.001 0.000 1.058 391 Y CB 1.381 39.889 38.460 0.079 0.000 1.220 391 Y HN 0.261 nan 8.280 nan 0.000 0.455 392 R N 1.023 121.593 120.500 0.116 0.000 2.643 392 R HA 0.317 4.662 4.340 0.008 0.000 0.270 392 R C -0.308 176.026 176.300 0.058 0.000 1.061 392 R CA -0.122 56.011 56.100 0.054 0.000 1.107 392 R CB 0.428 30.743 30.300 0.025 0.000 0.999 392 R HN 0.754 nan 8.270 nan 0.000 0.460 393 S N 0.832 116.535 115.700 0.005 0.000 2.461 393 S HA 0.711 5.186 4.470 0.008 0.000 0.322 393 S C -0.487 174.060 174.600 -0.088 0.000 1.063 393 S CA -0.636 57.545 58.200 -0.032 0.000 1.120 393 S CB 1.621 64.796 63.200 -0.041 0.000 0.968 393 S HN 0.748 nan 8.310 nan 0.000 0.467 394 A N 2.233 124.989 122.820 -0.107 0.000 2.493 394 A HA 0.721 5.046 4.320 0.008 0.000 0.300 394 A C -0.215 177.265 177.584 -0.174 0.000 1.152 394 A CA -0.826 51.096 52.037 -0.193 0.000 0.643 394 A CB -0.375 18.586 19.000 -0.066 0.000 1.316 394 A HN 0.478 nan 8.150 nan 0.000 0.469 395 F N -0.035 119.915 119.950 -0.001 0.000 2.269 395 F HA 0.095 4.627 4.527 0.008 0.000 0.301 395 F C 0.989 176.787 175.800 -0.004 0.000 1.082 395 F CA 1.337 59.333 58.000 -0.006 0.000 1.360 395 F CB 0.022 39.020 39.000 -0.004 0.000 1.041 395 F HN 0.144 nan 8.300 nan 0.000 0.512 396 V N 0.433 120.457 119.914 0.184 0.000 2.495 396 V HA 0.222 4.347 4.120 0.008 0.000 0.298 396 V C -0.572 175.594 176.094 0.120 0.000 1.031 396 V CA -1.311 61.065 62.300 0.126 0.000 0.871 396 V CB 1.641 33.536 31.823 0.120 0.000 0.988 396 V HN -0.166 nan 8.190 nan 0.000 0.432 397 D N 2.342 122.825 120.400 0.138 0.000 2.382 397 D HA 0.463 5.108 4.640 0.008 0.000 0.245 397 D C -0.273 176.269 176.300 0.404 0.000 1.120 397 D CA 0.241 54.387 54.000 0.244 0.000 0.890 397 D CB 1.351 42.274 40.800 0.205 0.000 1.201 397 D HN 0.704 nan 8.370 nan 0.000 0.433 398 C N 2.984 122.465 119.300 0.302 0.000 3.247 398 C HA 0.344 4.809 4.460 0.008 0.000 0.375 398 C C -2.822 172.083 174.990 -0.141 0.000 1.102 398 C CA -1.411 57.608 59.018 0.002 0.000 1.227 398 C CB 1.452 29.214 27.740 0.036 0.000 1.586 398 C HN 0.383 nan 8.230 nan 0.000 0.544 399 P HA 0.192 nan 4.420 nan 0.000 0.269 399 P C -0.125 177.069 177.300 -0.177 0.000 1.209 399 P CA 0.565 63.505 63.100 -0.266 0.000 0.776 399 P CB 0.754 32.256 31.700 -0.330 0.000 0.876 400 D N 1.299 121.581 120.400 -0.196 0.000 2.149 400 D HA -0.052 4.593 4.640 0.008 0.000 0.206 400 D C -0.025 176.208 176.300 -0.111 0.000 0.967 400 D CA 1.474 55.398 54.000 -0.128 0.000 0.848 400 D CB 0.428 41.156 40.800 -0.121 0.000 0.998 400 D HN 0.386 nan 8.370 nan 0.000 0.474 401 Q N -0.664 119.053 119.800 -0.137 0.000 2.340 401 Q HA 0.533 4.878 4.340 0.008 0.000 0.276 401 Q C -1.600 174.341 176.000 -0.099 0.000 1.048 401 Q CA -0.722 55.026 55.803 -0.092 0.000 0.832 401 Q CB 3.446 32.138 28.738 -0.075 0.000 1.373 401 Q HN -0.170 nan 8.270 nan 0.000 0.409 402 V N 2.659 122.539 119.914 -0.056 0.000 2.383 402 V HA 0.283 4.408 4.120 0.008 0.000 0.264 402 V C -2.503 173.583 176.094 -0.014 0.000 1.001 402 V CA -1.577 60.703 62.300 -0.033 0.000 0.828 402 V CB 0.960 32.779 31.823 -0.006 0.000 1.069 402 V HN 0.583 nan 8.190 nan 0.000 0.451 403 P HA 0.271 nan 4.420 nan 0.000 0.271 403 P C -0.419 176.880 177.300 -0.001 0.000 1.220 403 P CA 0.280 63.372 63.100 -0.013 0.000 0.768 403 P CB 1.147 32.833 31.700 -0.024 0.000 0.848 404 V N 0.094 120.014 119.914 0.010 0.000 3.102 404 V HA 0.923 5.048 4.120 0.008 0.000 0.312 404 V C -0.432 175.684 176.094 0.035 0.000 1.135 404 V CA -0.581 61.740 62.300 0.035 0.000 1.022 404 V CB 1.989 33.829 31.823 0.028 0.000 1.056 404 V HN 0.566 nan 8.190 nan 0.000 0.436 405 T N 0.528 115.107 114.554 0.041 0.000 2.778 405 T HA 0.896 5.251 4.350 0.008 0.000 0.293 405 T C -1.816 172.965 174.700 0.134 0.000 1.144 405 T CA 0.109 62.116 62.100 -0.156 0.000 1.010 405 T CB 1.878 70.599 68.868 -0.244 0.000 1.325 405 T HN 1.691 nan 8.240 nan 0.000 0.515 406 W N 0.000 121.293 121.300 -0.012 0.000 2.388 406 W HA 0.000 4.665 4.660 0.008 0.000 0.303 406 W CA 0.000 57.368 57.345 0.039 0.000 1.226 406 W CB 0.000 29.523 29.460 0.105 0.000 1.126 406 W HN 0.000 nan 8.180 nan 0.000 0.535