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 3dpy_1_B DATA FIRST_RESID 17 DATA SEQUENCE PVWSEPLYSL RPEHARERLQ DDSVETVTSI EQAKVEEKIQ EVFSSYKFNH DATA SEQUENCE LVPRLVLQRE KHFHYLKRGL RQLTDAYECL DASRPWLCYW ILHSLELLDE DATA SEQUENCE PIPQIVATDV CQFLELCQSP DGGFGGGPGQ YPHLAPTYAA VNALCIIGTE DATA SEQUENCE EAYNVINREK LLQYLYSLKQ PDGSFLMHVG GEVDVRSAYC AASVASLTNI DATA SEQUENCE ITPDLFEGTA EWIARCQNWE GGIGGVPGME AHGGYTFCGL AALVILKKER DATA SEQUENCE SLNLKSLLQW VTSRQMRFEG GFQGRCNKLV DGCYSFWQAG LLPLLHRALH DATA SEQUENCE AQGDPALSMS HWMFHQQALQ EYILMCCQCP AGGLLDKPGK SRDFYHTCYC DATA SEQUENCE LSGLSIAQHF GSGAMLHDVV MGVPENVLQP THPVYNIGPD KVIQATTHFL DATA SEQUENCE QKPVPGF 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 17 P HA 0.000 nan 4.420 nan 0.000 0.216 17 P C 0.000 177.115 177.300 -0.309 0.000 1.155 17 P CA 0.000 62.938 63.100 -0.269 0.000 0.800 17 P CB 0.000 31.519 31.700 -0.302 0.000 0.726 18 V N 0.606 120.433 119.914 -0.145 0.000 3.235 18 V HA 0.017 4.137 4.120 -0.000 0.000 0.259 18 V C 1.251 177.330 176.094 -0.025 0.000 1.133 18 V CA 0.918 63.175 62.300 -0.073 0.000 1.128 18 V CB -0.457 31.372 31.823 0.009 0.000 0.757 18 V HN 0.614 nan 8.190 nan 0.000 0.469 19 W N -0.639 120.655 121.300 -0.011 0.000 2.937 19 W HA 0.234 4.894 4.660 -0.000 0.000 0.245 19 W C 0.845 177.353 176.519 -0.018 0.000 1.306 19 W CA 0.243 57.581 57.345 -0.013 0.000 1.470 19 W CB -0.778 28.676 29.460 -0.010 0.000 1.132 19 W HN 0.323 nan 8.180 nan 0.000 0.675 20 S N 2.086 117.439 115.700 -0.579 0.000 2.528 20 S HA 0.110 4.580 4.470 -0.000 0.000 0.277 20 S C -0.362 174.089 174.600 -0.248 0.000 1.297 20 S CA -0.250 57.587 58.200 -0.605 0.000 1.052 20 S CB 0.786 63.541 63.200 -0.742 0.000 0.917 20 S HN 0.202 nan 8.310 nan 0.000 0.492 21 E N 5.569 125.674 120.200 -0.158 0.000 2.167 21 E HA 0.373 4.723 4.350 -0.000 0.000 0.284 21 E C -1.607 174.920 176.600 -0.122 0.000 1.016 21 E CA -2.030 54.303 56.400 -0.112 0.000 0.817 21 E CB 1.090 30.742 29.700 -0.080 0.000 1.080 21 E HN 0.374 nan 8.360 nan 0.000 0.397 22 P HA 0.000 nan 4.420 nan 0.000 0.236 22 P C -0.214 177.038 177.300 -0.080 0.000 1.177 22 P CA 0.489 63.532 63.100 -0.096 0.000 0.773 22 P CB 0.360 32.003 31.700 -0.094 0.000 0.878 23 L N -0.147 121.007 121.223 -0.115 0.000 2.272 23 L HA 0.246 4.586 4.340 -0.000 0.000 0.289 23 L C 1.667 178.442 176.870 -0.158 0.000 1.032 23 L CA -0.900 53.859 54.840 -0.135 0.000 0.810 23 L CB 1.078 43.013 42.059 -0.207 0.000 1.205 23 L HN -0.173 nan 8.230 nan 0.000 0.422 24 Y N 2.477 122.630 120.300 -0.245 0.000 2.274 24 Y HA -0.243 4.307 4.550 0.000 0.000 0.290 24 Y C 2.211 177.779 175.900 -0.553 0.000 1.145 24 Y CA 1.832 59.765 58.100 -0.278 0.000 1.203 24 Y CB 0.375 38.713 38.460 -0.203 0.000 0.984 24 Y HN 0.635 nan 8.280 nan 0.000 0.533 25 S N -0.049 115.194 115.700 -0.762 0.000 2.522 25 S HA 0.042 4.512 4.470 -0.000 0.000 0.227 25 S C 1.588 175.529 174.600 -1.099 0.000 0.986 25 S CA 0.856 58.170 58.200 -1.476 0.000 0.929 25 S CB -0.104 61.980 63.200 -1.860 0.000 0.769 25 S HN 0.455 nan 8.310 nan 0.000 0.529 26 L N 0.469 121.322 121.223 -0.615 0.000 2.590 26 L HA 0.218 4.558 4.340 -0.000 0.000 0.227 26 L C 0.648 177.403 176.870 -0.191 0.000 1.099 26 L CA -0.014 54.635 54.840 -0.317 0.000 0.872 26 L CB -0.096 41.830 42.059 -0.222 0.000 1.088 26 L HN 0.071 nan 8.230 nan 0.000 0.479 27 R N 1.243 121.603 120.500 -0.232 0.000 2.640 27 R HA 0.005 4.345 4.340 -0.000 0.000 0.270 27 R C -1.445 174.835 176.300 -0.034 0.000 1.024 27 R CA -1.196 54.834 56.100 -0.116 0.000 1.085 27 R CB -0.017 30.193 30.300 -0.151 0.000 0.963 27 R HN -0.143 nan 8.270 nan 0.000 0.426 28 P HA -0.194 nan 4.420 nan 0.000 0.215 28 P C 0.474 177.796 177.300 0.037 0.000 1.157 28 P CA 1.391 64.512 63.100 0.036 0.000 0.874 28 P CB 0.230 31.958 31.700 0.047 0.000 0.790 29 E N -1.700 118.516 120.200 0.027 0.000 2.130 29 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 29 E C 1.961 178.568 176.600 0.011 0.000 0.998 29 E CA 1.227 57.638 56.400 0.018 0.000 0.806 29 E CB -1.286 28.424 29.700 0.016 0.000 0.738 29 E HN 0.431 nan 8.360 nan 0.000 0.459 30 H N 0.299 119.295 119.070 -0.123 0.000 2.492 30 H HA -0.067 4.489 4.556 0.000 0.000 0.296 30 H C 1.797 177.165 175.328 0.066 0.000 1.095 30 H CA 1.397 57.362 56.048 -0.138 0.000 1.281 30 H CB -0.143 29.430 29.762 -0.316 0.000 1.374 30 H HN 0.228 nan 8.280 nan 0.000 0.545 31 A N 0.480 123.346 122.820 0.077 0.000 2.015 31 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 31 A C 2.290 179.870 177.584 -0.006 0.000 1.163 31 A CA 1.195 53.282 52.037 0.083 0.000 0.646 31 A CB -0.264 18.784 19.000 0.079 0.000 0.806 31 A HN 0.454 nan 8.150 nan 0.000 0.448 32 R N -0.125 120.361 120.500 -0.024 0.000 2.276 32 R HA -0.007 4.333 4.340 -0.000 0.000 0.203 32 R C 0.589 176.856 176.300 -0.055 0.000 1.017 32 R CA 0.638 56.717 56.100 -0.035 0.000 1.010 32 R CB 0.002 30.292 30.300 -0.017 0.000 0.900 32 R HN 0.495 nan 8.270 nan 0.000 0.469 33 E N 0.822 120.971 120.200 -0.085 0.000 2.494 33 E HA 0.012 4.362 4.350 -0.000 0.000 0.193 33 E C 0.255 176.814 176.600 -0.068 0.000 1.074 33 E CA 0.115 56.472 56.400 -0.073 0.000 0.867 33 E CB 0.166 29.776 29.700 -0.150 0.000 0.924 33 E HN 0.107 nan 8.360 nan 0.000 0.502 34 R N 0.820 121.214 120.500 -0.176 0.000 2.738 34 R HA 0.083 4.423 4.340 -0.000 0.000 0.268 34 R C 0.505 176.695 176.300 -0.184 0.000 1.062 34 R CA -0.577 55.320 56.100 -0.339 0.000 1.158 34 R CB 0.158 30.247 30.300 -0.351 0.000 1.046 34 R HN 0.056 nan 8.270 nan 0.000 0.493 35 L N 1.999 123.110 121.223 -0.187 0.000 2.499 35 L HA -0.039 4.301 4.340 -0.000 0.000 0.273 35 L C -0.136 176.686 176.870 -0.080 0.000 1.195 35 L CA 1.000 55.779 54.840 -0.102 0.000 0.882 35 L CB 0.295 42.300 42.059 -0.089 0.000 1.133 35 L HN 0.384 nan 8.230 nan 0.000 0.483 36 Q N 3.837 123.606 119.800 -0.051 0.000 2.400 36 Q HA 0.176 4.516 4.340 -0.000 0.000 0.255 36 Q C -0.134 175.850 176.000 -0.026 0.000 1.008 36 Q CA -0.357 55.423 55.803 -0.037 0.000 0.841 36 Q CB 1.025 29.747 28.738 -0.027 0.000 1.220 36 Q HN 0.722 nan 8.270 nan 0.000 0.474 37 D N 1.798 122.182 120.400 -0.026 0.000 2.340 37 D HA -0.094 4.546 4.640 -0.000 0.000 0.220 37 D C -0.395 175.898 176.300 -0.011 0.000 1.039 37 D CA 0.012 54.002 54.000 -0.017 0.000 0.866 37 D CB 0.230 41.019 40.800 -0.018 0.000 0.913 37 D HN 0.448 nan 8.370 nan 0.000 0.523 38 D N 0.082 120.475 120.400 -0.011 0.000 2.882 38 D HA -0.234 4.406 4.640 -0.000 0.000 0.229 38 D C 0.053 176.349 176.300 -0.006 0.000 1.167 38 D CA 1.080 55.076 54.000 -0.007 0.000 0.759 38 D CB -1.872 38.926 40.800 -0.003 0.000 1.088 38 D HN 0.247 nan 8.370 nan 0.000 0.425 39 S N -2.980 112.714 115.700 -0.009 0.000 3.146 39 S HA -0.249 4.221 4.470 -0.000 0.000 0.285 39 S C 0.435 175.032 174.600 -0.005 0.000 1.293 39 S CA 1.083 59.278 58.200 -0.007 0.000 1.137 39 S CB -0.723 62.473 63.200 -0.006 0.000 1.357 39 S HN 0.403 nan 8.310 nan 0.000 0.678 40 V N 1.915 121.826 119.914 -0.003 0.000 2.333 40 V HA 0.355 4.475 4.120 -0.000 0.000 0.274 40 V C 0.356 176.449 176.094 -0.001 0.000 1.028 40 V CA -0.346 61.954 62.300 -0.001 0.000 0.851 40 V CB 1.364 33.188 31.823 0.002 0.000 1.000 40 V HN 0.281 nan 8.190 nan 0.000 0.456 41 E N 3.322 123.522 120.200 -0.000 0.000 2.156 41 E HA 0.603 4.953 4.350 -0.000 0.000 0.279 41 E C 0.002 176.604 176.600 0.004 0.000 0.965 41 E CA -0.336 56.064 56.400 -0.000 0.000 0.789 41 E CB 1.858 31.557 29.700 -0.002 0.000 1.098 41 E HN 0.872 nan 8.360 nan 0.000 0.397 42 T N -2.020 112.538 114.554 0.006 0.000 2.864 42 T HA 0.230 4.580 4.350 -0.000 0.000 0.289 42 T C 1.096 175.803 174.700 0.012 0.000 1.082 42 T CA -0.815 61.291 62.100 0.010 0.000 1.009 42 T CB 0.882 69.759 68.868 0.014 0.000 1.234 42 T HN 0.096 nan 8.240 nan 0.000 0.526 43 V N 0.833 120.756 119.914 0.015 0.000 2.392 43 V HA -0.174 3.946 4.120 -0.000 0.000 0.249 43 V C 2.856 178.962 176.094 0.020 0.000 1.059 43 V CA 2.524 64.835 62.300 0.017 0.000 1.051 43 V CB -1.571 30.265 31.823 0.021 0.000 0.658 43 V HN 1.077 nan 8.190 nan 0.000 0.455 44 T N 0.466 115.034 114.554 0.023 0.000 2.777 44 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 44 T C 2.150 176.859 174.700 0.016 0.000 1.040 44 T CA 1.857 63.972 62.100 0.025 0.000 1.141 44 T CB -0.313 68.572 68.868 0.030 0.000 0.868 44 T HN 0.750 nan 8.240 nan 0.000 0.444 45 S N 1.333 117.039 115.700 0.010 0.000 2.387 45 S HA 0.012 4.482 4.470 -0.000 0.000 0.226 45 S C 2.106 176.704 174.600 -0.004 0.000 1.026 45 S CA 0.591 58.791 58.200 0.000 0.000 0.972 45 S CB -0.743 62.455 63.200 -0.003 0.000 0.814 45 S HN 0.476 nan 8.310 nan 0.000 0.477 46 I N 1.837 122.407 120.570 0.001 0.000 2.179 46 I HA -0.121 4.049 4.170 -0.000 0.000 0.242 46 I C 2.885 179.003 176.117 0.002 0.000 1.088 46 I CA 1.438 62.738 61.300 -0.001 0.000 1.357 46 I CB -0.344 37.657 38.000 0.002 0.000 1.051 46 I HN 0.263 nan 8.210 nan 0.000 0.409 47 E N 0.294 120.499 120.200 0.010 0.000 2.150 47 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 47 E C 2.049 178.659 176.600 0.017 0.000 0.985 47 E CA 1.061 57.471 56.400 0.016 0.000 0.814 47 E CB -0.204 29.511 29.700 0.025 0.000 0.752 47 E HN 0.438 nan 8.360 nan 0.000 0.466 48 Q N 0.725 120.533 119.800 0.012 0.000 2.172 48 Q HA 0.037 4.377 4.340 -0.000 0.000 0.200 48 Q C 1.855 177.851 176.000 -0.007 0.000 0.964 48 Q CA 1.494 57.303 55.803 0.010 0.000 0.855 48 Q CB -0.220 28.520 28.738 0.005 0.000 0.918 48 Q HN 0.167 nan 8.270 nan 0.000 0.444 49 A N 0.497 123.305 122.820 -0.020 0.000 1.930 49 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 49 A C 1.939 179.506 177.584 -0.027 0.000 1.175 49 A CA 1.432 53.444 52.037 -0.041 0.000 0.627 49 A CB -0.343 18.634 19.000 -0.039 0.000 0.815 49 A HN 0.373 nan 8.150 nan 0.000 0.443 50 K N -0.374 120.022 120.400 -0.008 0.000 2.026 50 K HA -0.079 4.241 4.320 -0.000 0.000 0.208 50 K C 1.886 178.494 176.600 0.014 0.000 1.048 50 K CA 1.500 57.788 56.287 0.001 0.000 0.929 50 K CB -0.371 32.132 32.500 0.006 0.000 0.713 50 K HN 0.305 nan 8.250 nan 0.000 0.439 51 V N 1.785 121.715 119.914 0.028 0.000 2.295 51 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 51 V C 2.042 178.184 176.094 0.081 0.000 1.049 51 V CA 1.739 64.072 62.300 0.055 0.000 1.024 51 V CB -0.445 31.420 31.823 0.071 0.000 0.648 51 V HN 0.331 nan 8.190 nan 0.000 0.447 52 E N -0.329 119.908 120.200 0.061 0.000 2.118 52 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 52 E C 2.323 178.954 176.600 0.053 0.000 0.992 52 E CA 1.416 57.851 56.400 0.058 0.000 0.804 52 E CB -0.099 29.487 29.700 -0.190 0.000 0.741 52 E HN 0.646 nan 8.360 nan 0.000 0.458 53 E N 0.847 121.050 120.200 0.006 0.000 2.072 53 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 53 E C 1.996 178.627 176.600 0.052 0.000 0.985 53 E CA 0.958 57.370 56.400 0.021 0.000 0.801 53 E CB 0.122 29.822 29.700 0.000 0.000 0.750 53 E HN -0.074 nan 8.360 nan 0.000 0.452 54 K N 0.583 121.006 120.400 0.038 0.000 2.097 54 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 54 K C 1.954 178.551 176.600 -0.006 0.000 1.049 54 K CA 0.905 57.201 56.287 0.016 0.000 0.933 54 K CB -0.074 32.432 32.500 0.009 0.000 0.717 54 K HN 0.129 nan 8.250 nan 0.000 0.442 55 I N 0.715 121.298 120.570 0.022 0.000 2.353 55 I HA -0.154 4.016 4.170 -0.000 0.000 0.248 55 I C 2.218 178.211 176.117 -0.206 0.000 1.119 55 I CA 1.053 62.270 61.300 -0.138 0.000 1.417 55 I CB -1.065 36.921 38.000 -0.023 0.000 1.078 55 I HN 0.323 nan 8.210 nan 0.000 0.421 56 Q N 1.827 121.737 119.800 0.182 0.000 2.061 56 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 56 Q C 2.020 178.136 176.000 0.193 0.000 0.984 56 Q CA 1.904 57.904 55.803 0.329 0.000 0.846 56 Q CB -0.218 28.727 28.738 0.346 0.000 0.902 56 Q HN 0.476 nan 8.270 nan 0.000 0.421 57 E N -0.974 119.299 120.200 0.123 0.000 2.097 57 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 57 E C 1.928 178.567 176.600 0.066 0.000 1.000 57 E CA 1.637 58.109 56.400 0.120 0.000 0.804 57 E CB -0.092 29.643 29.700 0.057 0.000 0.740 57 E HN 0.234 nan 8.360 nan 0.000 0.454 58 V N 0.538 120.428 119.914 -0.040 0.000 2.407 58 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 58 V C 1.915 178.057 176.094 0.080 0.000 1.055 58 V CA 1.628 63.880 62.300 -0.079 0.000 1.049 58 V CB -0.556 31.151 31.823 -0.193 0.000 0.662 58 V HN 0.267 nan 8.190 nan 0.000 0.455 59 F N 1.197 121.205 119.950 0.097 0.000 2.084 59 F HA -0.141 4.386 4.527 -0.000 0.000 0.296 59 F C 2.496 178.376 175.800 0.133 0.000 1.111 59 F CA 1.208 59.280 58.000 0.119 0.000 1.224 59 F CB -0.311 38.721 39.000 0.054 0.000 0.991 59 F HN 0.282 nan 8.300 nan 0.000 0.471 60 S N -0.357 115.495 115.700 0.252 0.000 2.710 60 S HA -0.026 4.444 4.470 -0.000 0.000 0.224 60 S C 1.496 176.054 174.600 -0.070 0.000 0.948 60 S CA 0.290 58.492 58.200 0.003 0.000 0.949 60 S CB -0.584 62.507 63.200 -0.183 0.000 0.778 60 S HN 0.331 nan 8.310 nan 0.000 0.498 61 S N 0.529 116.240 115.700 0.018 0.000 2.447 61 S HA -0.073 4.396 4.470 -0.000 0.000 0.233 61 S C 1.343 175.823 174.600 -0.199 0.000 1.006 61 S CA 0.319 58.472 58.200 -0.078 0.000 0.957 61 S CB -0.873 62.166 63.200 -0.268 0.000 0.773 61 S HN 0.661 nan 8.310 nan 0.000 0.507 62 Y N 1.728 122.025 120.300 -0.004 0.000 2.314 62 Y HA 0.244 4.794 4.550 0.000 0.000 0.294 62 Y C 2.606 178.464 175.900 -0.071 0.000 1.119 62 Y CA 0.887 58.974 58.100 -0.022 0.000 1.179 62 Y CB -0.235 38.217 38.460 -0.013 0.000 1.025 62 Y HN 0.205 nan 8.280 nan 0.000 0.541 63 K N 0.272 120.667 120.400 -0.008 0.000 2.057 63 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 63 K C 1.743 178.197 176.600 -0.243 0.000 1.050 63 K CA 1.426 57.637 56.287 -0.127 0.000 0.935 63 K CB -0.414 31.928 32.500 -0.264 0.000 0.715 63 K HN 0.245 nan 8.250 nan 0.000 0.439 64 F N 1.339 121.185 119.950 -0.173 0.000 2.102 64 F HA -0.168 4.359 4.527 0.000 0.000 0.298 64 F C 2.097 177.558 175.800 -0.564 0.000 1.105 64 F CA 0.660 58.475 58.000 -0.308 0.000 1.239 64 F CB -0.131 38.776 39.000 -0.155 0.000 0.991 64 F HN 0.110 nan 8.300 nan 0.000 0.474 65 N N -0.862 117.754 118.700 -0.140 0.000 2.515 65 N HA -0.108 4.632 4.740 -0.000 0.000 0.185 65 N C -0.406 175.064 175.510 -0.067 0.000 1.109 65 N CA 0.742 53.722 53.050 -0.118 0.000 0.903 65 N CB -0.469 37.999 38.487 -0.032 0.000 0.969 65 N HN 0.332 nan 8.380 nan 0.000 0.450 66 H N -0.925 118.206 119.070 0.102 0.000 2.819 66 H HA -0.137 4.419 4.556 -0.000 0.000 0.323 66 H C -0.454 174.921 175.328 0.078 0.000 1.243 66 H CA 0.543 56.640 56.048 0.081 0.000 1.163 66 H CB -2.136 27.667 29.762 0.068 0.000 1.493 66 H HN 0.217 nan 8.280 nan 0.000 0.434 67 L N -0.681 120.641 121.223 0.165 0.000 2.333 67 L HA 0.602 4.942 4.340 -0.000 0.000 0.263 67 L C 0.596 177.550 176.870 0.141 0.000 1.014 67 L CA -1.470 53.460 54.840 0.149 0.000 0.820 67 L CB 2.120 44.272 42.059 0.154 0.000 1.352 67 L HN -0.134 nan 8.230 nan 0.000 0.421 68 V N 1.078 121.046 119.914 0.090 0.000 2.488 68 V HA 0.209 4.329 4.120 -0.000 0.000 0.277 68 V C -2.056 174.031 176.094 -0.011 0.000 1.046 68 V CA -1.365 60.953 62.300 0.029 0.000 0.986 68 V CB 0.309 32.136 31.823 0.008 0.000 0.989 68 V HN 0.585 nan 8.190 nan 0.000 0.475 69 P HA 0.298 nan 4.420 nan 0.000 0.267 69 P C -0.517 176.627 177.300 -0.260 0.000 1.209 69 P CA -0.083 62.725 63.100 -0.487 0.000 0.763 69 P CB 0.281 31.537 31.700 -0.740 0.000 0.816 70 R N 2.604 123.003 120.500 -0.169 0.000 2.628 70 R HA 0.581 4.921 4.340 -0.000 0.000 0.288 70 R C -1.211 175.061 176.300 -0.047 0.000 0.980 70 R CA -0.900 55.150 56.100 -0.084 0.000 0.891 70 R CB 1.273 31.557 30.300 -0.026 0.000 1.188 70 R HN 0.246 nan 8.270 nan 0.000 0.450 71 L N 3.733 124.930 121.223 -0.043 0.000 2.272 71 L HA 0.412 4.752 4.340 -0.000 0.000 0.284 71 L C -0.682 176.193 176.870 0.008 0.000 1.045 71 L CA -1.092 53.743 54.840 -0.008 0.000 0.842 71 L CB 1.537 43.586 42.059 -0.016 0.000 1.224 71 L HN 0.447 nan 8.230 nan 0.000 0.430 72 V N 4.335 124.262 119.914 0.023 0.000 2.417 72 V HA 0.264 4.384 4.120 -0.000 0.000 0.291 72 V C 0.046 176.158 176.094 0.029 0.000 1.024 72 V CA -0.677 61.633 62.300 0.017 0.000 0.861 72 V CB 2.267 34.096 31.823 0.010 0.000 0.985 72 V HN 0.479 nan 8.190 nan 0.000 0.436 73 L N 5.279 126.523 121.223 0.036 0.000 2.325 73 L HA 0.340 4.680 4.340 -0.000 0.000 0.284 73 L C 0.779 177.662 176.870 0.022 0.000 1.089 73 L CA 0.377 55.261 54.840 0.073 0.000 0.836 73 L CB 0.754 42.866 42.059 0.088 0.000 1.184 73 L HN 0.603 nan 8.230 nan 0.000 0.444 74 Q N 5.425 125.184 119.800 -0.067 0.000 3.025 74 Q HA 0.015 4.355 4.340 -0.000 0.000 0.251 74 Q C 1.067 176.840 176.000 -0.378 0.000 1.348 74 Q CA 0.298 55.931 55.803 -0.284 0.000 0.906 74 Q CB -0.311 28.173 28.738 -0.424 0.000 1.764 74 Q HN 0.729 nan 8.270 nan 0.000 0.535 75 R N 0.398 120.851 120.500 -0.079 0.000 2.096 75 R HA -0.230 4.110 4.340 -0.000 0.000 0.240 75 R C 1.735 178.073 176.300 0.062 0.000 1.139 75 R CA 1.591 57.712 56.100 0.036 0.000 0.952 75 R CB 0.094 30.410 30.300 0.026 0.000 0.854 75 R HN 0.298 nan 8.270 nan 0.000 0.436 76 E N 0.694 120.909 120.200 0.025 0.000 2.072 76 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 76 E C 1.733 178.430 176.600 0.162 0.000 0.982 76 E CA 1.223 57.696 56.400 0.122 0.000 0.803 76 E CB 0.158 29.896 29.700 0.063 0.000 0.755 76 E HN 0.029 nan 8.360 nan 0.000 0.453 77 K N 0.048 120.447 120.400 -0.002 0.000 2.032 77 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 77 K C 2.107 178.778 176.600 0.119 0.000 1.048 77 K CA 1.496 57.781 56.287 -0.004 0.000 0.927 77 K CB -0.681 31.723 32.500 -0.161 0.000 0.712 77 K HN 0.388 nan 8.250 nan 0.000 0.441 78 H N -0.340 118.829 119.070 0.165 0.000 2.353 78 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 78 H C 2.007 177.495 175.328 0.266 0.000 1.090 78 H CA 1.100 57.264 56.048 0.194 0.000 1.327 78 H CB -0.739 29.105 29.762 0.137 0.000 1.383 78 H HN 0.174 nan 8.280 nan 0.000 0.508 79 F N 1.756 121.840 119.950 0.223 0.000 2.126 79 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 79 F C 2.830 178.726 175.800 0.161 0.000 1.096 79 F CA 1.902 59.994 58.000 0.154 0.000 1.255 79 F CB -0.557 38.503 39.000 0.100 0.000 0.997 79 F HN 0.257 nan 8.300 nan 0.000 0.479 80 H N -1.235 117.788 119.070 -0.078 0.000 2.321 80 H HA -0.257 4.299 4.556 -0.000 0.000 0.300 80 H C 2.247 177.542 175.328 -0.055 0.000 1.087 80 H CA 2.088 58.027 56.048 -0.182 0.000 1.319 80 H CB -1.022 28.737 29.762 -0.005 0.000 1.379 80 H HN 0.429 nan 8.280 nan 0.000 0.501 81 Y N 1.532 121.738 120.300 -0.158 0.000 2.114 81 Y HA -0.232 4.318 4.550 0.000 0.000 0.282 81 Y C 2.566 178.469 175.900 0.004 0.000 1.165 81 Y CA 1.838 59.877 58.100 -0.103 0.000 1.148 81 Y CB -0.627 37.856 38.460 0.039 0.000 0.972 81 Y HN 0.159 nan 8.280 nan 0.000 0.504 82 L N 0.044 121.250 121.223 -0.028 0.000 2.044 82 L HA -0.177 4.163 4.340 -0.000 0.000 0.205 82 L C 2.655 179.362 176.870 -0.270 0.000 1.075 82 L CA 1.652 56.435 54.840 -0.094 0.000 0.747 82 L CB -0.713 41.365 42.059 0.032 0.000 0.903 82 L HN 0.065 nan 8.230 nan 0.000 0.435 83 K N 0.598 120.754 120.400 -0.407 0.000 2.074 83 K HA -0.275 4.045 4.320 -0.000 0.000 0.209 83 K C 2.344 178.736 176.600 -0.347 0.000 1.048 83 K CA 1.805 57.820 56.287 -0.453 0.000 0.926 83 K CB -0.046 31.991 32.500 -0.772 0.000 0.713 83 K HN 0.174 nan 8.250 nan 0.000 0.444 84 R N -0.359 119.915 120.500 -0.377 0.000 2.055 84 R HA -0.074 4.266 4.340 -0.000 0.000 0.228 84 R C 2.380 178.511 176.300 -0.280 0.000 1.143 84 R CA 1.603 57.520 56.100 -0.304 0.000 0.945 84 R CB -0.733 29.355 30.300 -0.353 0.000 0.841 84 R HN 0.328 nan 8.270 nan 0.000 0.429 85 G N 1.586 110.196 108.800 -0.317 0.000 2.485 85 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.221 85 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.221 85 G C 1.294 175.849 174.900 -0.574 0.000 1.115 85 G CA 0.755 45.567 45.100 -0.480 0.000 0.751 85 G HN 0.337 nan 8.290 nan 0.000 0.567 86 L N -0.355 120.588 121.223 -0.466 0.000 2.353 86 L HA 0.174 4.514 4.340 -0.000 0.000 0.220 86 L C 2.428 179.113 176.870 -0.309 0.000 1.133 86 L CA 1.656 56.270 54.840 -0.377 0.000 0.798 86 L CB -0.185 41.707 42.059 -0.279 0.000 0.922 86 L HN 0.174 nan 8.230 nan 0.000 0.445 87 R N -1.390 118.945 120.500 -0.274 0.000 2.164 87 R HA 0.297 4.637 4.340 -0.000 0.000 0.198 87 R C 0.180 176.355 176.300 -0.208 0.000 1.028 87 R CA 0.357 56.326 56.100 -0.218 0.000 1.083 87 R CB 0.344 30.545 30.300 -0.165 0.000 1.026 87 R HN 0.423 nan 8.270 nan 0.000 0.514 88 Q N -0.182 119.499 119.800 -0.200 0.000 2.309 88 Q HA 0.484 4.824 4.340 -0.000 0.000 0.273 88 Q C -1.843 174.084 176.000 -0.123 0.000 1.040 88 Q CA -0.617 55.100 55.803 -0.143 0.000 0.834 88 Q CB 1.979 30.662 28.738 -0.091 0.000 1.345 88 Q HN 0.056 nan 8.270 nan 0.000 0.414 89 L N 1.456 122.635 121.223 -0.073 0.000 2.388 89 L HA 0.591 4.931 4.340 -0.000 0.000 0.264 89 L C 0.367 177.302 176.870 0.109 0.000 0.998 89 L CA -0.889 53.958 54.840 0.012 0.000 0.817 89 L CB 2.198 44.219 42.059 -0.064 0.000 1.338 89 L HN 0.772 nan 8.230 nan 0.000 0.414 90 T N -3.392 111.283 114.554 0.201 0.000 2.726 90 T HA 0.044 4.394 4.350 -0.000 0.000 0.294 90 T C 0.792 175.596 174.700 0.172 0.000 1.013 90 T CA -0.154 62.042 62.100 0.162 0.000 0.996 90 T CB 0.589 69.547 68.868 0.151 0.000 1.016 90 T HN 0.750 nan 8.240 nan 0.000 0.529 91 D N -0.431 120.033 120.400 0.107 0.000 2.392 91 D HA 0.027 4.667 4.640 -0.000 0.000 0.228 91 D C 1.861 178.203 176.300 0.070 0.000 1.003 91 D CA 0.777 54.829 54.000 0.085 0.000 0.917 91 D CB -0.717 40.115 40.800 0.053 0.000 0.890 91 D HN 0.661 nan 8.370 nan 0.000 0.532 92 A N -0.242 122.617 122.820 0.065 0.000 2.015 92 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 92 A C 1.108 178.594 177.584 -0.163 0.000 1.163 92 A CA 0.549 52.549 52.037 -0.062 0.000 0.646 92 A CB -0.869 18.061 19.000 -0.117 0.000 0.806 92 A HN 0.335 nan 8.150 nan 0.000 0.448 93 Y N 0.363 120.721 120.300 0.098 0.000 2.645 93 Y HA 0.177 4.727 4.550 0.000 0.000 0.307 93 Y C 1.669 177.624 175.900 0.091 0.000 1.151 93 Y CA -0.062 58.109 58.100 0.119 0.000 1.291 93 Y CB -0.110 38.441 38.460 0.152 0.000 1.135 93 Y HN 0.444 nan 8.280 nan 0.000 0.523 94 E N -0.369 119.912 120.200 0.134 0.000 2.152 94 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 94 E C 1.963 178.618 176.600 0.092 0.000 0.983 94 E CA 1.328 57.789 56.400 0.101 0.000 0.818 94 E CB -0.106 29.632 29.700 0.063 0.000 0.758 94 E HN 0.656 nan 8.360 nan 0.000 0.467 95 C N -0.411 118.934 119.300 0.074 0.000 2.511 95 C HA 0.146 4.606 4.460 -0.000 0.000 0.277 95 C C 1.602 176.660 174.990 0.114 0.000 1.451 95 C CA -0.212 58.846 59.018 0.067 0.000 1.735 95 C CB -1.038 26.718 27.740 0.028 0.000 1.704 95 C HN 0.217 nan 8.230 nan 0.000 0.571 96 L N 0.527 121.859 121.223 0.183 0.000 3.122 96 L HA 0.240 4.580 4.340 -0.000 0.000 0.274 96 L C 1.537 178.526 176.870 0.199 0.000 1.222 96 L CA 0.149 55.133 54.840 0.239 0.000 1.028 96 L CB -0.249 42.057 42.059 0.411 0.000 1.386 96 L HN 0.150 nan 8.230 nan 0.000 0.578 97 D N 1.513 122.002 120.400 0.148 0.000 2.263 97 D HA -0.134 4.506 4.640 -0.000 0.000 0.208 97 D C 1.736 178.097 176.300 0.102 0.000 0.971 97 D CA 1.128 55.198 54.000 0.117 0.000 0.867 97 D CB 0.480 41.333 40.800 0.088 0.000 0.929 97 D HN 0.299 nan 8.370 nan 0.000 0.492 98 A N -0.934 121.941 122.820 0.093 0.000 2.460 98 A HA 0.366 4.686 4.320 -0.000 0.000 0.258 98 A C 0.771 178.411 177.584 0.095 0.000 1.300 98 A CA -0.229 51.847 52.037 0.065 0.000 0.913 98 A CB 0.403 19.417 19.000 0.023 0.000 1.031 98 A HN 0.044 nan 8.150 nan 0.000 0.512 99 S N -0.685 115.110 115.700 0.158 0.000 2.794 99 S HA 0.202 4.672 4.470 -0.000 0.000 0.244 99 S C 1.039 175.765 174.600 0.211 0.000 1.045 99 S CA -0.505 57.848 58.200 0.254 0.000 1.114 99 S CB 0.111 63.482 63.200 0.285 0.000 1.085 99 S HN 0.582 nan 8.310 nan 0.000 0.488 100 R N 1.755 122.354 120.500 0.164 0.000 2.090 100 R HA 0.010 4.350 4.340 -0.000 0.000 0.228 100 R C -1.096 175.278 176.300 0.122 0.000 1.110 100 R CA 1.039 57.239 56.100 0.167 0.000 0.973 100 R CB -1.138 29.339 30.300 0.294 0.000 0.869 100 R HN 0.284 nan 8.270 nan 0.000 0.440 101 P HA -0.158 nan 4.420 nan 0.000 0.218 101 P C 0.370 177.509 177.300 -0.268 0.000 1.149 101 P CA 1.075 64.093 63.100 -0.136 0.000 0.817 101 P CB -0.091 31.429 31.700 -0.300 0.000 0.785 102 W N -0.509 120.583 121.300 -0.347 0.000 2.358 102 W HA -0.098 4.562 4.660 0.000 0.000 0.303 102 W C 2.168 178.133 176.519 -0.923 0.000 1.208 102 W CA 0.533 57.397 57.345 -0.801 0.000 1.274 102 W CB -0.993 27.793 29.460 -1.125 0.000 1.138 102 W HN -0.126 nan 8.180 nan 0.000 0.515 103 L N -1.021 120.067 121.223 -0.225 0.000 2.046 103 L HA -0.279 4.061 4.340 -0.000 0.000 0.208 103 L C 2.412 179.201 176.870 -0.134 0.000 1.077 103 L CA 1.133 55.938 54.840 -0.058 0.000 0.747 103 L CB -1.094 40.918 42.059 -0.079 0.000 0.896 103 L HN 0.069 nan 8.230 nan 0.000 0.432 104 C N -1.196 118.024 119.300 -0.132 0.000 2.413 104 C HA -0.250 4.210 4.460 -0.000 0.000 0.278 104 C C 2.739 177.670 174.990 -0.098 0.000 1.224 104 C CA 0.834 59.780 59.018 -0.120 0.000 1.732 104 C CB -0.904 26.794 27.740 -0.070 0.000 2.050 104 C HN 0.563 nan 8.230 nan 0.000 0.463 105 Y N 0.734 120.893 120.300 -0.234 0.000 2.097 105 Y HA -0.223 4.327 4.550 -0.000 0.000 0.282 105 Y C 2.375 178.273 175.900 -0.004 0.000 1.152 105 Y CA 1.642 59.622 58.100 -0.201 0.000 1.136 105 Y CB -0.751 37.490 38.460 -0.365 0.000 0.975 105 Y HN 0.394 nan 8.280 nan 0.000 0.498 106 W N 0.550 121.720 121.300 -0.217 0.000 2.321 106 W HA -0.245 4.415 4.660 0.000 0.000 0.306 106 W C 2.452 178.807 176.519 -0.272 0.000 1.217 106 W CA 1.609 58.768 57.345 -0.310 0.000 1.257 106 W CB -1.199 28.284 29.460 0.038 0.000 1.145 106 W HN 0.237 nan 8.180 nan 0.000 0.509 107 I N -0.630 119.940 120.570 0.001 0.000 2.235 107 I HA -0.269 3.901 4.170 -0.000 0.000 0.241 107 I C 2.491 178.549 176.117 -0.099 0.000 1.085 107 I CA 0.862 62.109 61.300 -0.089 0.000 1.378 107 I CB -0.893 36.946 38.000 -0.268 0.000 1.076 107 I HN -0.211 nan 8.210 nan 0.000 0.415 108 L N 0.158 121.314 121.223 -0.111 0.000 2.043 108 L HA -0.299 4.041 4.340 -0.000 0.000 0.212 108 L C 2.765 179.592 176.870 -0.071 0.000 1.075 108 L CA 1.741 56.534 54.840 -0.079 0.000 0.752 108 L CB -0.859 41.164 42.059 -0.060 0.000 0.891 108 L HN 0.377 nan 8.230 nan 0.000 0.432 109 H N -0.667 118.251 119.070 -0.254 0.000 2.389 109 H HA -0.101 4.455 4.556 -0.000 0.000 0.299 109 H C 2.396 177.607 175.328 -0.196 0.000 1.081 109 H CA 1.660 57.547 56.048 -0.268 0.000 1.345 109 H CB 0.152 29.575 29.762 -0.566 0.000 1.393 109 H HN 0.117 nan 8.280 nan 0.000 0.520 110 S N -0.131 115.433 115.700 -0.227 0.000 2.368 110 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 110 S C 2.252 176.783 174.600 -0.115 0.000 1.030 110 S CA 1.179 59.263 58.200 -0.193 0.000 0.999 110 S CB -0.266 62.892 63.200 -0.070 0.000 0.844 110 S HN 0.365 nan 8.310 nan 0.000 0.459 111 L N 1.338 122.529 121.223 -0.054 0.000 2.042 111 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 111 L C 2.725 179.575 176.870 -0.033 0.000 1.076 111 L CA 1.552 56.402 54.840 0.017 0.000 0.749 111 L CB -0.532 41.553 42.059 0.042 0.000 0.893 111 L HN 0.426 nan 8.230 nan 0.000 0.432 112 E N 0.696 120.840 120.200 -0.093 0.000 2.110 112 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 112 E C 2.329 178.855 176.600 -0.123 0.000 0.988 112 E CA 1.070 57.414 56.400 -0.094 0.000 0.804 112 E CB -0.031 29.619 29.700 -0.084 0.000 0.745 112 E HN 0.489 nan 8.360 nan 0.000 0.458 113 L N 0.504 121.592 121.223 -0.224 0.000 2.093 113 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 113 L C 2.437 179.263 176.870 -0.073 0.000 1.085 113 L CA 0.718 55.451 54.840 -0.178 0.000 0.755 113 L CB -0.156 41.735 42.059 -0.280 0.000 0.904 113 L HN 0.224 nan 8.230 nan 0.000 0.435 114 L N -0.827 120.364 121.223 -0.053 0.000 2.552 114 L HA -0.030 4.310 4.340 -0.000 0.000 0.227 114 L C 0.162 177.017 176.870 -0.026 0.000 1.146 114 L CA 0.046 54.881 54.840 -0.008 0.000 0.858 114 L CB -0.310 41.776 42.059 0.046 0.000 0.969 114 L HN 0.264 nan 8.230 nan 0.000 0.451 115 D N 1.307 121.686 120.400 -0.035 0.000 2.872 115 D HA -0.157 4.483 4.640 -0.000 0.000 0.248 115 D C -0.375 175.888 176.300 -0.061 0.000 1.104 115 D CA 0.489 54.466 54.000 -0.039 0.000 0.784 115 D CB -0.347 40.434 40.800 -0.031 0.000 1.036 115 D HN 0.240 nan 8.370 nan 0.000 0.426 116 E N 1.460 121.634 120.200 -0.045 0.000 2.199 116 E HA 0.420 4.770 4.350 -0.000 0.000 0.265 116 E C -2.056 174.538 176.600 -0.010 0.000 0.882 116 E CA -1.704 54.661 56.400 -0.058 0.000 0.759 116 E CB 1.454 31.149 29.700 -0.007 0.000 1.148 116 E HN 0.196 nan 8.360 nan 0.000 0.412 117 P HA 0.122 nan 4.420 nan 0.000 0.266 117 P C -0.175 177.136 177.300 0.019 0.000 1.195 117 P CA -0.167 62.929 63.100 -0.006 0.000 0.768 117 P CB 0.702 32.394 31.700 -0.014 0.000 0.838 118 I N 4.239 124.810 120.570 0.001 0.000 2.307 118 I HA 0.222 4.392 4.170 -0.000 0.000 0.287 118 I C -2.006 174.104 176.117 -0.012 0.000 1.054 118 I CA -2.869 58.429 61.300 -0.003 0.000 1.218 118 I CB -0.102 37.885 38.000 -0.023 0.000 1.398 118 I HN 0.125 nan 8.210 nan 0.000 0.475 119 P HA -0.010 nan 4.420 nan 0.000 0.263 119 P C 0.744 178.030 177.300 -0.023 0.000 1.175 119 P CA -0.031 63.064 63.100 -0.009 0.000 0.761 119 P CB 0.602 32.300 31.700 -0.002 0.000 0.794 120 Q N 1.818 121.602 119.800 -0.026 0.000 2.500 120 Q HA -0.051 4.289 4.340 -0.000 0.000 0.213 120 Q C 1.658 177.640 176.000 -0.031 0.000 0.974 120 Q CA 1.024 56.807 55.803 -0.034 0.000 0.918 120 Q CB -0.210 28.508 28.738 -0.033 0.000 0.980 120 Q HN 0.608 nan 8.270 nan 0.000 0.505 121 I N -0.837 119.717 120.570 -0.026 0.000 2.277 121 I HA -0.189 3.981 4.170 -0.000 0.000 0.243 121 I C 2.134 178.232 176.117 -0.032 0.000 1.094 121 I CA 0.588 61.873 61.300 -0.025 0.000 1.393 121 I CB -0.228 37.759 38.000 -0.021 0.000 1.078 121 I HN -0.069 nan 8.210 nan 0.000 0.417 122 V N 1.206 121.098 119.914 -0.036 0.000 2.307 122 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 122 V C 2.798 178.864 176.094 -0.047 0.000 1.045 122 V CA 1.905 64.177 62.300 -0.047 0.000 1.024 122 V CB -1.108 30.684 31.823 -0.051 0.000 0.651 122 V HN 0.469 nan 8.190 nan 0.000 0.449 123 A N -0.496 122.296 122.820 -0.046 0.000 1.917 123 A HA -0.316 4.004 4.320 -0.000 0.000 0.219 123 A C 2.470 180.026 177.584 -0.047 0.000 1.182 123 A CA 2.816 54.821 52.037 -0.054 0.000 0.633 123 A CB -1.036 17.926 19.000 -0.063 0.000 0.819 123 A HN 0.475 nan 8.150 nan 0.000 0.448 124 T N -1.290 113.241 114.554 -0.038 0.000 2.951 124 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 124 T C 1.460 176.154 174.700 -0.010 0.000 1.073 124 T CA 1.508 63.591 62.100 -0.027 0.000 1.134 124 T CB -0.477 68.376 68.868 -0.025 0.000 0.884 124 T HN 0.446 nan 8.240 nan 0.000 0.479 125 D N 0.600 120.993 120.400 -0.012 0.000 2.123 125 D HA -0.020 4.620 4.640 -0.000 0.000 0.200 125 D C 2.259 178.581 176.300 0.037 0.000 0.976 125 D CA 0.748 54.749 54.000 0.002 0.000 0.831 125 D CB -0.442 40.341 40.800 -0.027 0.000 0.974 125 D HN 0.277 nan 8.370 nan 0.000 0.469 126 V N 0.852 120.773 119.914 0.012 0.000 2.287 126 V HA -0.294 3.825 4.120 -0.000 0.000 0.248 126 V C 2.740 178.874 176.094 0.066 0.000 1.053 126 V CA 1.314 63.641 62.300 0.045 0.000 1.027 126 V CB -0.586 31.228 31.823 -0.016 0.000 0.646 126 V HN 0.281 nan 8.190 nan 0.000 0.447 127 C N -0.621 118.689 119.300 0.015 0.000 2.388 127 C HA -0.247 4.213 4.460 -0.000 0.000 0.277 127 C C 2.893 177.903 174.990 0.033 0.000 1.210 127 C CA 1.482 60.504 59.018 0.007 0.000 1.743 127 C CB -1.118 26.614 27.740 -0.014 0.000 2.047 127 C HN 0.602 nan 8.230 nan 0.000 0.458 128 Q N -0.891 118.936 119.800 0.045 0.000 2.096 128 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 128 Q C 2.009 178.057 176.000 0.081 0.000 0.982 128 Q CA 1.905 57.739 55.803 0.052 0.000 0.850 128 Q CB -0.371 28.397 28.738 0.049 0.000 0.901 128 Q HN 0.792 nan 8.270 nan 0.000 0.422 129 F N 0.991 120.927 119.950 -0.024 0.000 2.113 129 F HA -0.157 4.370 4.527 -0.000 0.000 0.297 129 F C 1.696 177.494 175.800 -0.004 0.000 1.103 129 F CA 1.210 59.196 58.000 -0.024 0.000 1.248 129 F CB -0.214 38.758 39.000 -0.047 0.000 0.999 129 F HN -0.040 nan 8.300 nan 0.000 0.475 130 L N 0.130 121.233 121.223 -0.200 0.000 2.191 130 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 130 L C 2.318 179.167 176.870 -0.035 0.000 1.103 130 L CA 1.436 56.133 54.840 -0.237 0.000 0.769 130 L CB -0.782 41.190 42.059 -0.145 0.000 0.908 130 L HN 0.245 nan 8.230 nan 0.000 0.438 131 E N 0.203 120.391 120.200 -0.019 0.000 2.150 131 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 131 E C 2.285 178.840 176.600 -0.075 0.000 0.985 131 E CA 0.912 57.311 56.400 -0.003 0.000 0.814 131 E CB -0.044 29.657 29.700 0.001 0.000 0.752 131 E HN 0.520 nan 8.360 nan 0.000 0.466 132 L N 0.082 121.227 121.223 -0.130 0.000 2.291 132 L HA -0.113 4.227 4.340 -0.000 0.000 0.214 132 L C 2.245 179.003 176.870 -0.187 0.000 1.120 132 L CA 0.373 55.130 54.840 -0.139 0.000 0.799 132 L CB -0.064 41.929 42.059 -0.109 0.000 0.925 132 L HN 0.246 nan 8.230 nan 0.000 0.446 133 C N -0.983 118.161 119.300 -0.261 0.000 2.495 133 C HA -0.040 4.420 4.460 -0.000 0.000 0.275 133 C C 1.533 176.460 174.990 -0.104 0.000 1.392 133 C CA -0.365 58.533 59.018 -0.201 0.000 1.766 133 C CB -0.728 26.848 27.740 -0.272 0.000 1.933 133 C HN 0.405 nan 8.230 nan 0.000 0.519 134 Q N 1.593 121.300 119.800 -0.154 0.000 2.313 134 Q HA 0.162 4.502 4.340 -0.000 0.000 0.266 134 Q C 0.172 175.978 176.000 -0.323 0.000 0.989 134 Q CA 0.146 55.677 55.803 -0.454 0.000 0.890 134 Q CB 0.626 29.000 28.738 -0.606 0.000 1.200 134 Q HN 0.427 nan 8.270 nan 0.000 0.396 135 S N 4.348 119.836 115.700 -0.353 0.000 2.565 135 S HA 0.218 4.688 4.470 -0.000 0.000 0.276 135 S C -1.544 172.936 174.600 -0.200 0.000 1.326 135 S CA -1.460 56.604 58.200 -0.227 0.000 1.045 135 S CB 0.727 63.785 63.200 -0.236 0.000 0.918 135 S HN 0.637 nan 8.310 nan 0.000 0.505 136 P HA -0.064 nan 4.420 nan 0.000 0.219 136 P C 0.195 177.447 177.300 -0.081 0.000 1.146 136 P CA 1.067 64.114 63.100 -0.087 0.000 0.808 136 P CB 0.033 31.705 31.700 -0.046 0.000 0.779 137 D N -0.505 119.846 120.400 -0.082 0.000 2.340 137 D HA 0.250 4.890 4.640 -0.000 0.000 0.220 137 D C 1.194 177.446 176.300 -0.080 0.000 1.039 137 D CA 0.712 54.683 54.000 -0.049 0.000 0.866 137 D CB 0.178 40.974 40.800 -0.008 0.000 0.913 137 D HN 0.189 nan 8.370 nan 0.000 0.523 138 G N -0.445 108.239 108.800 -0.194 0.000 2.650 138 G HA2 0.394 4.354 3.960 -0.000 0.000 0.686 138 G HA3 0.394 4.354 3.960 -0.000 0.000 0.686 138 G C 0.243 174.816 174.900 -0.545 0.000 1.205 138 G CA -0.467 44.483 45.100 -0.250 0.000 0.781 138 G HN 0.668 nan 8.290 nan 0.000 0.648 139 G N -0.858 107.635 108.800 -0.512 0.000 2.828 139 G HA2 0.333 4.293 3.960 -0.000 0.000 0.463 139 G HA3 0.333 4.293 3.960 -0.000 0.000 0.463 139 G C -0.397 174.103 174.900 -0.666 0.000 1.394 139 G CA 0.188 44.962 45.100 -0.543 0.000 0.862 139 G HN 1.765 nan 8.290 nan 0.000 0.540 140 F N 0.295 120.110 119.950 -0.225 0.000 2.561 140 F HA 0.708 5.235 4.527 -0.000 0.000 0.321 140 F C 1.122 176.847 175.800 -0.124 0.000 1.065 140 F CA 0.228 58.122 58.000 -0.177 0.000 0.934 140 F CB 2.103 41.000 39.000 -0.172 0.000 1.215 140 F HN 0.813 nan 8.300 nan 0.000 0.471 141 G N -0.140 108.693 108.800 0.055 0.000 2.531 141 G HA2 0.439 4.399 3.960 -0.000 0.000 0.313 141 G HA3 0.439 4.399 3.960 -0.000 0.000 0.313 141 G C 0.803 175.719 174.900 0.027 0.000 1.238 141 G CA -0.407 44.716 45.100 0.039 0.000 0.994 141 G HN 0.896 nan 8.290 nan 0.000 0.493 142 G N -1.766 107.047 108.800 0.023 0.000 2.650 142 G HA2 0.448 4.408 3.960 -0.000 0.000 0.214 142 G HA3 0.448 4.408 3.960 -0.000 0.000 0.214 142 G C 0.685 175.615 174.900 0.051 0.000 1.136 142 G CA 1.028 46.150 45.100 0.037 0.000 0.789 142 G HN 1.289 nan 8.290 nan 0.000 0.536 143 G N -1.349 107.456 108.800 0.007 0.000 2.349 143 G HA2 0.467 4.427 3.960 -0.000 0.000 0.294 143 G HA3 0.467 4.427 3.960 -0.000 0.000 0.294 143 G C -3.407 171.460 174.900 -0.055 0.000 1.380 143 G CA -0.955 44.155 45.100 0.016 0.000 0.811 143 G HN -0.106 nan 8.290 nan 0.000 0.519 144 P HA 0.297 nan 4.420 nan 0.000 0.261 144 P C 1.060 178.327 177.300 -0.055 0.000 1.183 144 P CA 1.994 65.056 63.100 -0.063 0.000 0.761 144 P CB 0.865 32.563 31.700 -0.002 0.000 0.785 145 G N 1.906 110.661 108.800 -0.076 0.000 2.179 145 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 145 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 145 G C 0.144 174.957 174.900 -0.146 0.000 0.977 145 G CA -0.202 44.843 45.100 -0.090 0.000 0.641 145 G HN 0.569 nan 8.290 nan 0.000 0.533 146 Q N -0.615 119.111 119.800 -0.125 0.000 2.306 146 Q HA 0.526 4.866 4.340 -0.000 0.000 0.241 146 Q C 0.080 176.023 176.000 -0.094 0.000 0.948 146 Q CA -0.654 55.052 55.803 -0.163 0.000 0.886 146 Q CB 0.786 29.477 28.738 -0.078 0.000 1.227 146 Q HN 0.491 nan 8.270 nan 0.000 0.457 147 Y N 1.809 122.110 120.300 0.003 0.000 2.550 147 Y HA 0.042 4.592 4.550 -0.000 0.000 0.343 147 Y C -1.571 174.336 175.900 0.010 0.000 1.245 147 Y CA -1.796 56.311 58.100 0.013 0.000 1.462 147 Y CB 0.056 38.555 38.460 0.065 0.000 1.340 147 Y HN 0.438 nan 8.280 nan 0.000 0.604 148 P HA -0.017 nan 4.420 nan 0.000 0.269 148 P C -0.971 176.478 177.300 0.249 0.000 1.209 148 P CA 0.572 63.645 63.100 -0.044 0.000 0.776 148 P CB 0.975 32.310 31.700 -0.608 0.000 0.876 149 H N 1.854 121.035 119.070 0.185 0.000 3.046 149 H HA 0.206 4.762 4.556 -0.000 0.000 0.363 149 H C 0.414 175.937 175.328 0.325 0.000 1.203 149 H CA -0.589 55.648 56.048 0.315 0.000 1.169 149 H CB 1.616 31.483 29.762 0.175 0.000 1.851 149 H HN 0.217 nan 8.280 nan 0.000 0.546 150 L N 2.389 123.807 121.223 0.324 0.000 2.291 150 L HA -0.038 4.302 4.340 -0.000 0.000 0.214 150 L C 2.324 179.423 176.870 0.383 0.000 1.120 150 L CA 1.252 56.280 54.840 0.313 0.000 0.799 150 L CB -0.295 41.841 42.059 0.128 0.000 0.925 150 L HN 0.653 nan 8.230 nan 0.000 0.446 151 A N 1.025 124.236 122.820 0.651 0.000 1.854 151 A HA -0.045 4.275 4.320 -0.000 0.000 0.214 151 A C -0.275 177.385 177.584 0.126 0.000 1.192 151 A CA 1.137 53.544 52.037 0.617 0.000 0.611 151 A CB -1.627 17.915 19.000 0.904 0.000 0.832 151 A HN 0.262 nan 8.150 nan 0.000 0.442 152 P HA -0.031 nan 4.420 nan 0.000 0.229 152 P C 1.122 178.286 177.300 -0.228 0.000 1.160 152 P CA 1.340 64.282 63.100 -0.264 0.000 0.777 152 P CB -0.206 31.467 31.700 -0.046 0.000 0.814 153 T N -0.759 113.812 114.554 0.029 0.000 2.777 153 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 153 T C 1.668 176.307 174.700 -0.102 0.000 1.040 153 T CA 1.081 63.245 62.100 0.107 0.000 1.141 153 T CB -1.070 67.969 68.868 0.285 0.000 0.868 153 T HN 0.084 nan 8.240 nan 0.000 0.444 154 Y N 2.159 122.324 120.300 -0.224 0.000 2.224 154 Y HA 0.017 4.567 4.550 -0.000 0.000 0.289 154 Y C 2.401 177.957 175.900 -0.574 0.000 1.146 154 Y CA 0.819 58.724 58.100 -0.325 0.000 1.182 154 Y CB -0.593 37.733 38.460 -0.224 0.000 0.983 154 Y HN 0.163 nan 8.280 nan 0.000 0.524 155 A N 0.586 122.828 122.820 -0.965 0.000 1.897 155 A HA 0.046 4.366 4.320 -0.000 0.000 0.215 155 A C 2.421 179.513 177.584 -0.821 0.000 1.181 155 A CA 1.437 52.743 52.037 -1.218 0.000 0.620 155 A CB -1.406 16.686 19.000 -1.514 0.000 0.821 155 A HN 0.598 nan 8.150 nan 0.000 0.443 156 A N -0.322 122.031 122.820 -0.778 0.000 1.845 156 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 156 A C 2.227 179.385 177.584 -0.710 0.000 1.195 156 A CA 1.871 53.386 52.037 -0.871 0.000 0.616 156 A CB -1.144 16.857 19.000 -1.665 0.000 0.832 156 A HN 0.382 nan 8.150 nan 0.000 0.443 157 V N 0.865 120.391 119.914 -0.646 0.000 2.255 157 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 157 V C 2.408 178.301 176.094 -0.335 0.000 1.051 157 V CA 2.427 64.501 62.300 -0.377 0.000 1.018 157 V CB -1.162 30.510 31.823 -0.252 0.000 0.641 157 V HN 0.581 nan 8.190 nan 0.000 0.445 158 N N 0.191 118.594 118.700 -0.495 0.000 2.094 158 N HA -0.166 4.574 4.740 -0.000 0.000 0.191 158 N C 1.804 177.198 175.510 -0.194 0.000 1.023 158 N CA 1.781 54.574 53.050 -0.429 0.000 0.857 158 N CB -0.583 37.379 38.487 -0.875 0.000 1.013 158 N HN 0.508 nan 8.380 nan 0.000 0.426 159 A N 0.636 123.329 122.820 -0.212 0.000 1.877 159 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 159 A C 2.317 179.838 177.584 -0.105 0.000 1.186 159 A CA 1.023 53.004 52.037 -0.093 0.000 0.620 159 A CB -0.842 18.075 19.000 -0.138 0.000 0.822 159 A HN 0.268 nan 8.150 nan 0.000 0.443 160 L N -0.750 120.384 121.223 -0.150 0.000 2.079 160 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 160 L C 2.626 179.452 176.870 -0.074 0.000 1.081 160 L CA 1.234 56.010 54.840 -0.107 0.000 0.752 160 L CB -0.649 41.365 42.059 -0.076 0.000 0.896 160 L HN 0.501 nan 8.230 nan 0.000 0.433 161 C N -0.349 118.942 119.300 -0.016 0.000 2.450 161 C HA -0.059 4.401 4.460 -0.000 0.000 0.279 161 C C 2.685 177.682 174.990 0.012 0.000 1.335 161 C CA 0.143 59.201 59.018 0.066 0.000 1.749 161 C CB -0.560 27.213 27.740 0.056 0.000 1.963 161 C HN 0.435 nan 8.230 nan 0.000 0.501 162 I N 0.852 121.420 120.570 -0.003 0.000 2.315 162 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 162 I C 2.238 178.332 176.117 -0.039 0.000 1.117 162 I CA 1.678 62.986 61.300 0.013 0.000 1.404 162 I CB -0.397 37.630 38.000 0.046 0.000 1.071 162 I HN 0.305 nan 8.210 nan 0.000 0.419 163 I N 0.690 121.210 120.570 -0.083 0.000 2.252 163 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 163 I C 2.025 178.019 176.117 -0.205 0.000 1.102 163 I CA 1.286 62.510 61.300 -0.127 0.000 1.385 163 I CB -0.821 37.097 38.000 -0.136 0.000 1.064 163 I HN 0.459 nan 8.210 nan 0.000 0.414 164 G N 1.412 110.022 108.800 -0.318 0.000 2.175 164 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.265 164 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.265 164 G C 0.565 175.006 174.900 -0.765 0.000 0.979 164 G CA 0.720 45.518 45.100 -0.503 0.000 0.663 164 G HN 0.532 nan 8.290 nan 0.000 0.533 165 T N -2.822 111.359 114.554 -0.622 0.000 2.788 165 T HA 0.581 4.931 4.350 -0.000 0.000 0.280 165 T C 1.147 175.480 174.700 -0.613 0.000 0.984 165 T CA 0.616 62.439 62.100 -0.462 0.000 0.972 165 T CB 1.633 70.347 68.868 -0.257 0.000 1.039 165 T HN 0.132 nan 8.240 nan 0.000 0.530 166 E N -0.197 119.828 120.200 -0.291 0.000 2.150 166 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 166 E C 2.042 178.574 176.600 -0.114 0.000 0.985 166 E CA 1.370 57.680 56.400 -0.149 0.000 0.814 166 E CB -0.189 29.491 29.700 -0.034 0.000 0.752 166 E HN 0.827 nan 8.360 nan 0.000 0.466 167 E N -0.455 119.669 120.200 -0.125 0.000 2.051 167 E HA -0.228 4.122 4.350 -0.000 0.000 0.192 167 E C 1.934 178.490 176.600 -0.074 0.000 0.991 167 E CA 1.038 57.395 56.400 -0.073 0.000 0.799 167 E CB -0.188 29.471 29.700 -0.069 0.000 0.748 167 E HN 0.332 nan 8.360 nan 0.000 0.449 168 A N 0.514 123.232 122.820 -0.169 0.000 1.865 168 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 168 A C 2.016 179.588 177.584 -0.019 0.000 1.191 168 A CA 1.605 53.552 52.037 -0.150 0.000 0.623 168 A CB -1.247 17.584 19.000 -0.282 0.000 0.826 168 A HN 0.491 nan 8.150 nan 0.000 0.444 169 Y N 0.156 120.424 120.300 -0.054 0.000 2.207 169 Y HA -0.233 4.317 4.550 -0.000 0.000 0.287 169 Y C 2.230 178.231 175.900 0.167 0.000 1.156 169 Y CA 0.929 59.041 58.100 0.020 0.000 1.182 169 Y CB -0.194 37.951 38.460 -0.524 0.000 0.979 169 Y HN 0.337 nan 8.280 nan 0.000 0.521 170 N N -0.473 118.360 118.700 0.222 0.000 2.463 170 N HA -0.077 4.663 4.740 -0.000 0.000 0.181 170 N C 1.740 177.343 175.510 0.156 0.000 1.078 170 N CA 0.448 53.612 53.050 0.191 0.000 0.902 170 N CB -0.300 38.258 38.487 0.118 0.000 0.970 170 N HN 0.149 nan 8.380 nan 0.000 0.451 171 V N 1.634 121.635 119.914 0.146 0.000 2.287 171 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 171 V C 1.115 177.303 176.094 0.156 0.000 1.053 171 V CA 0.934 63.312 62.300 0.131 0.000 1.027 171 V CB -0.349 31.555 31.823 0.136 0.000 0.646 171 V HN 0.217 nan 8.190 nan 0.000 0.447 172 I N 2.101 122.808 120.570 0.228 0.000 2.662 172 I HA -0.024 4.146 4.170 -0.000 0.000 0.285 172 I C 0.605 176.782 176.117 0.100 0.000 1.161 172 I CA 0.391 61.809 61.300 0.197 0.000 1.415 172 I CB -0.206 37.916 38.000 0.204 0.000 1.385 172 I HN 0.201 nan 8.210 nan 0.000 0.552 173 N N 7.016 125.713 118.700 -0.005 0.000 2.469 173 N HA 0.147 4.887 4.740 -0.000 0.000 0.239 173 N C 0.881 176.386 175.510 -0.010 0.000 1.053 173 N CA -0.107 52.935 53.050 -0.013 0.000 0.937 173 N CB 0.631 39.077 38.487 -0.069 0.000 1.163 173 N HN 0.474 nan 8.380 nan 0.000 0.509 174 R N 2.126 122.642 120.500 0.027 0.000 2.092 174 R HA -0.097 4.243 4.340 -0.000 0.000 0.231 174 R C 1.018 177.330 176.300 0.020 0.000 1.119 174 R CA 1.349 57.456 56.100 0.012 0.000 0.970 174 R CB 0.215 30.531 30.300 0.028 0.000 0.864 174 R HN 0.491 nan 8.270 nan 0.000 0.440 175 E N 0.662 120.880 120.200 0.030 0.000 2.051 175 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 175 E C 1.788 178.413 176.600 0.040 0.000 0.991 175 E CA 1.191 57.615 56.400 0.040 0.000 0.799 175 E CB 0.068 29.790 29.700 0.037 0.000 0.748 175 E HN 0.059 nan 8.360 nan 0.000 0.449 176 K N 0.113 120.522 120.400 0.015 0.000 2.155 176 K HA -0.041 4.279 4.320 -0.000 0.000 0.203 176 K C 2.122 178.744 176.600 0.036 0.000 1.052 176 K CA 0.378 56.671 56.287 0.011 0.000 0.948 176 K CB -0.384 32.091 32.500 -0.042 0.000 0.728 176 K HN 0.119 nan 8.250 nan 0.000 0.448 177 L N 1.404 122.634 121.223 0.012 0.000 2.012 177 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 177 L C 2.201 179.128 176.870 0.096 0.000 1.073 177 L CA 1.359 56.229 54.840 0.050 0.000 0.748 177 L CB -0.689 41.377 42.059 0.011 0.000 0.891 177 L HN 0.065 nan 8.230 nan 0.000 0.431 178 L N -0.724 120.537 121.223 0.063 0.000 2.056 178 L HA -0.218 4.122 4.340 -0.000 0.000 0.207 178 L C 2.496 179.462 176.870 0.160 0.000 1.078 178 L CA 1.707 56.584 54.840 0.062 0.000 0.749 178 L CB -0.649 41.459 42.059 0.082 0.000 0.901 178 L HN 0.419 nan 8.230 nan 0.000 0.433 179 Q N -1.671 118.235 119.800 0.176 0.000 2.061 179 Q HA -0.293 4.047 4.340 -0.000 0.000 0.204 179 Q C 2.185 178.302 176.000 0.194 0.000 0.984 179 Q CA 2.268 58.186 55.803 0.191 0.000 0.846 179 Q CB -0.548 28.259 28.738 0.115 0.000 0.902 179 Q HN 0.626 nan 8.270 nan 0.000 0.421 180 Y N 1.395 121.719 120.300 0.040 0.000 2.128 180 Y HA -0.231 4.319 4.550 -0.000 0.000 0.284 180 Y C 1.826 177.746 175.900 0.034 0.000 1.154 180 Y CA 1.417 59.530 58.100 0.022 0.000 1.149 180 Y CB -0.334 38.122 38.460 -0.007 0.000 0.976 180 Y HN 0.019 nan 8.280 nan 0.000 0.505 181 L N -1.436 119.732 121.223 -0.092 0.000 2.042 181 L HA -0.290 4.050 4.340 -0.000 0.000 0.210 181 L C 2.285 179.093 176.870 -0.103 0.000 1.076 181 L CA 1.793 56.519 54.840 -0.190 0.000 0.749 181 L CB -1.052 40.881 42.059 -0.210 0.000 0.893 181 L HN 0.251 nan 8.230 nan 0.000 0.432 182 Y N 0.673 120.934 120.300 -0.066 0.000 2.128 182 Y HA -0.288 4.262 4.550 -0.000 0.000 0.284 182 Y C 3.078 178.902 175.900 -0.127 0.000 1.154 182 Y CA 1.610 59.654 58.100 -0.093 0.000 1.149 182 Y CB -0.244 38.169 38.460 -0.078 0.000 0.976 182 Y HN 0.295 nan 8.280 nan 0.000 0.505 183 S N -0.402 115.320 115.700 0.037 0.000 2.537 183 S HA -0.106 4.364 4.470 -0.000 0.000 0.240 183 S C 1.361 175.887 174.600 -0.123 0.000 0.981 183 S CA 1.009 59.185 58.200 -0.040 0.000 0.948 183 S CB -0.625 62.565 63.200 -0.017 0.000 0.759 183 S HN 0.491 nan 8.310 nan 0.000 0.531 184 L N -0.721 120.406 121.223 -0.161 0.000 2.609 184 L HA 0.378 4.718 4.340 -0.000 0.000 0.230 184 L C 0.795 177.549 176.870 -0.193 0.000 1.087 184 L CA -0.345 54.397 54.840 -0.165 0.000 0.874 184 L CB -0.060 41.883 42.059 -0.193 0.000 1.114 184 L HN 0.077 nan 8.230 nan 0.000 0.488 185 K N 1.842 122.063 120.400 -0.299 0.000 2.484 185 K HA 0.028 4.348 4.320 -0.000 0.000 0.280 185 K C -0.160 176.157 176.600 -0.472 0.000 1.013 185 K CA 0.488 56.352 56.287 -0.704 0.000 1.029 185 K CB 0.405 32.555 32.500 -0.583 0.000 0.902 185 K HN -0.083 nan 8.250 nan 0.000 0.481 186 Q N 4.618 124.092 119.800 -0.543 0.000 2.215 186 Q HA 0.265 4.605 4.340 -0.000 0.000 0.256 186 Q C -1.763 174.061 176.000 -0.293 0.000 0.972 186 Q CA -2.263 53.329 55.803 -0.351 0.000 0.889 186 Q CB 0.830 29.363 28.738 -0.342 0.000 1.281 186 Q HN 0.439 nan 8.270 nan 0.000 0.456 187 P HA -0.163 nan 4.420 nan 0.000 0.216 187 P C 0.393 177.625 177.300 -0.113 0.000 1.150 187 P CA 1.400 64.421 63.100 -0.132 0.000 0.837 187 P CB 0.234 31.880 31.700 -0.091 0.000 0.786 188 D N -2.122 118.206 120.400 -0.120 0.000 2.336 188 D HA 0.085 4.725 4.640 -0.000 0.000 0.229 188 D C 1.415 177.682 176.300 -0.056 0.000 1.061 188 D CA 0.640 54.615 54.000 -0.041 0.000 0.875 188 D CB -0.762 40.062 40.800 0.039 0.000 0.904 188 D HN 0.263 nan 8.370 nan 0.000 0.525 189 G N -0.012 108.672 108.800 -0.194 0.000 2.213 189 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.226 189 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.226 189 G C 0.489 175.153 174.900 -0.393 0.000 0.992 189 G CA 0.316 45.306 45.100 -0.183 0.000 0.632 189 G HN 0.798 nan 8.290 nan 0.000 0.511 190 S N -0.285 114.976 115.700 -0.732 0.000 2.655 190 S HA 0.822 5.292 4.470 -0.000 0.000 0.265 190 S C -0.279 173.905 174.600 -0.694 0.000 1.240 190 S CA -0.396 57.225 58.200 -0.966 0.000 0.986 190 S CB 1.426 63.655 63.200 -1.619 0.000 0.985 190 S HN 0.557 nan 8.310 nan 0.000 0.562 191 F N -0.485 119.190 119.950 -0.458 0.000 2.563 191 F HA 0.530 5.057 4.527 -0.000 0.000 0.316 191 F C -0.000 175.634 175.800 -0.277 0.000 1.076 191 F CA -1.098 56.720 58.000 -0.304 0.000 0.921 191 F CB 1.445 40.312 39.000 -0.222 0.000 1.209 191 F HN 0.459 nan 8.300 nan 0.000 0.462 192 L N 2.969 124.151 121.223 -0.069 0.000 2.464 192 L HA 0.139 4.479 4.340 -0.000 0.000 0.264 192 L C 1.281 178.095 176.870 -0.093 0.000 1.199 192 L CA -0.617 54.152 54.840 -0.119 0.000 0.818 192 L CB 0.374 42.326 42.059 -0.178 0.000 1.102 192 L HN 0.663 nan 8.230 nan 0.000 0.473 193 M N 0.091 119.620 119.600 -0.118 0.000 2.236 193 M HA 0.005 4.485 4.480 -0.000 0.000 0.266 193 M C 0.509 176.681 176.300 -0.212 0.000 1.070 193 M CA 1.339 56.555 55.300 -0.140 0.000 1.137 193 M CB -0.938 31.626 32.600 -0.061 0.000 1.378 193 M HN 0.814 nan 8.290 nan 0.000 0.426 194 H N -4.740 114.200 119.070 -0.217 0.000 2.948 194 H HA 0.519 5.075 4.556 -0.000 0.000 0.315 194 H C -0.879 174.435 175.328 -0.024 0.000 1.360 194 H CA -1.255 54.754 56.048 -0.065 0.000 1.125 194 H CB 0.632 30.399 29.762 0.008 0.000 1.844 194 H HN -0.246 nan 8.280 nan 0.000 0.529 195 V N 1.474 121.416 119.914 0.047 0.000 2.540 195 V HA 0.273 4.393 4.120 -0.000 0.000 0.297 195 V C 1.517 177.522 176.094 -0.147 0.000 1.024 195 V CA 1.587 63.850 62.300 -0.061 0.000 1.105 195 V CB 0.148 31.967 31.823 -0.006 0.000 0.938 195 V HN 1.340 nan 8.190 nan 0.000 0.482 196 G N 3.555 112.242 108.800 -0.188 0.000 2.148 196 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.254 196 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.254 196 G C 0.473 175.213 174.900 -0.268 0.000 0.981 196 G CA 0.129 45.136 45.100 -0.155 0.000 0.670 196 G HN 1.326 nan 8.290 nan 0.000 0.528 197 G N -0.642 107.813 108.800 -0.574 0.000 2.613 197 G HA2 0.684 4.644 3.960 -0.000 0.000 0.303 197 G HA3 0.684 4.644 3.960 -0.000 0.000 0.303 197 G C 0.256 175.004 174.900 -0.252 0.000 1.312 197 G CA 0.213 44.907 45.100 -0.677 0.000 1.036 197 G HN 0.644 nan 8.290 nan 0.000 0.513 198 E N -1.018 119.127 120.200 -0.092 0.000 2.369 198 E HA 0.341 4.691 4.350 -0.000 0.000 0.255 198 E C -0.973 175.608 176.600 -0.032 0.000 1.172 198 E CA -0.406 55.983 56.400 -0.017 0.000 0.932 198 E CB 1.348 31.085 29.700 0.062 0.000 1.040 198 E HN 0.094 nan 8.360 nan 0.000 0.454 199 V N 1.731 121.636 119.914 -0.016 0.000 2.487 199 V HA 0.378 4.498 4.120 -0.000 0.000 0.298 199 V C -0.604 175.515 176.094 0.042 0.000 1.028 199 V CA -0.225 62.056 62.300 -0.031 0.000 0.860 199 V CB 1.165 32.935 31.823 -0.089 0.000 0.991 199 V HN 0.934 nan 8.190 nan 0.000 0.427 200 D N 2.654 123.096 120.400 0.069 0.000 2.779 200 D HA 0.196 4.836 4.640 -0.000 0.000 0.331 200 D C 0.229 176.673 176.300 0.240 0.000 1.331 200 D CA -0.595 53.504 54.000 0.165 0.000 0.866 200 D CB 1.736 42.546 40.800 0.016 0.000 1.409 200 D HN 0.095 nan 8.370 nan 0.000 0.486 201 V N 0.174 120.273 119.914 0.308 0.000 2.913 201 V HA -0.094 4.026 4.120 -0.000 0.000 0.260 201 V C 1.983 178.253 176.094 0.293 0.000 1.098 201 V CA 1.503 64.038 62.300 0.391 0.000 1.121 201 V CB -0.761 31.224 31.823 0.271 0.000 0.714 201 V HN 0.524 nan 8.190 nan 0.000 0.487 202 R N 0.574 121.249 120.500 0.292 0.000 2.105 202 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 202 R C 2.588 179.012 176.300 0.205 0.000 1.135 202 R CA 1.756 58.019 56.100 0.270 0.000 0.967 202 R CB -0.527 29.940 30.300 0.278 0.000 0.861 202 R HN 0.767 nan 8.270 nan 0.000 0.442 203 S N 0.707 116.493 115.700 0.144 0.000 2.368 203 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 203 S C 2.269 176.835 174.600 -0.056 0.000 1.030 203 S CA 0.943 59.169 58.200 0.043 0.000 0.999 203 S CB -0.307 62.916 63.200 0.038 0.000 0.844 203 S HN 0.366 nan 8.310 nan 0.000 0.459 204 A N 1.313 124.166 122.820 0.054 0.000 1.873 204 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 204 A C 2.146 179.722 177.584 -0.013 0.000 1.193 204 A CA 1.884 53.958 52.037 0.061 0.000 0.629 204 A CB -1.506 17.630 19.000 0.226 0.000 0.826 204 A HN 0.733 nan 8.150 nan 0.000 0.447 205 Y N 0.124 120.387 120.300 -0.061 0.000 2.145 205 Y HA -0.250 4.300 4.550 0.000 0.000 0.286 205 Y C 2.592 178.414 175.900 -0.129 0.000 1.145 205 Y CA 1.406 59.440 58.100 -0.110 0.000 1.148 205 Y CB -0.878 37.535 38.460 -0.078 0.000 0.981 205 Y HN 0.383 nan 8.280 nan 0.000 0.507 206 C N 0.607 119.770 119.300 -0.229 0.000 2.413 206 C HA -0.162 4.298 4.460 -0.000 0.000 0.276 206 C C 3.091 177.966 174.990 -0.191 0.000 1.236 206 C CA 1.331 60.193 59.018 -0.259 0.000 1.735 206 C CB -1.801 25.922 27.740 -0.027 0.000 2.031 206 C HN 0.753 nan 8.230 nan 0.000 0.474 207 A N 0.466 123.141 122.820 -0.241 0.000 1.883 207 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 207 A C 2.356 179.900 177.584 -0.068 0.000 1.186 207 A CA 2.262 54.137 52.037 -0.269 0.000 0.624 207 A CB -0.940 17.597 19.000 -0.772 0.000 0.822 207 A HN 0.599 nan 8.150 nan 0.000 0.444 208 A N -1.148 121.564 122.820 -0.181 0.000 1.930 208 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 208 A C 2.461 179.940 177.584 -0.174 0.000 1.175 208 A CA 2.018 53.874 52.037 -0.300 0.000 0.627 208 A CB -0.876 17.826 19.000 -0.496 0.000 0.815 208 A HN 0.535 nan 8.150 nan 0.000 0.443 209 S N -0.332 115.222 115.700 -0.242 0.000 2.356 209 S HA -0.152 4.318 4.470 -0.000 0.000 0.223 209 S C 2.038 176.686 174.600 0.078 0.000 1.032 209 S CA 2.128 60.290 58.200 -0.064 0.000 1.005 209 S CB -0.663 62.420 63.200 -0.195 0.000 0.867 209 S HN 0.911 nan 8.310 nan 0.000 0.449 210 V N 0.009 119.925 119.914 0.003 0.000 2.591 210 V HA 0.266 4.386 4.120 -0.000 0.000 0.249 210 V C 2.472 178.535 176.094 -0.053 0.000 1.053 210 V CA 1.350 63.632 62.300 -0.031 0.000 1.068 210 V CB -1.456 30.360 31.823 -0.012 0.000 0.689 210 V HN 0.465 nan 8.190 nan 0.000 0.462 211 A N 1.787 124.607 122.820 -0.001 0.000 1.930 211 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 211 A C 2.576 180.170 177.584 0.016 0.000 1.175 211 A CA 2.380 54.433 52.037 0.027 0.000 0.627 211 A CB -0.904 18.197 19.000 0.169 0.000 0.815 211 A HN 0.891 nan 8.150 nan 0.000 0.443 212 S N -0.243 115.476 115.700 0.033 0.000 2.395 212 S HA 0.004 4.474 4.470 -0.000 0.000 0.225 212 S C 1.902 176.494 174.600 -0.014 0.000 1.027 212 S CA 1.133 59.357 58.200 0.040 0.000 0.965 212 S CB -0.641 62.613 63.200 0.090 0.000 0.812 212 S HN 0.412 nan 8.310 nan 0.000 0.482 213 L N 1.910 123.088 121.223 -0.076 0.000 2.056 213 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 213 L C 2.840 179.560 176.870 -0.251 0.000 1.078 213 L CA 1.630 56.359 54.840 -0.185 0.000 0.749 213 L CB -0.983 40.919 42.059 -0.262 0.000 0.901 213 L HN 0.589 nan 8.230 nan 0.000 0.433 214 T N -3.901 110.413 114.554 -0.400 0.000 3.169 214 T HA 0.050 4.400 4.350 -0.000 0.000 0.250 214 T C 0.798 175.329 174.700 -0.282 0.000 1.111 214 T CA 0.110 61.755 62.100 -0.759 0.000 1.010 214 T CB -0.436 67.987 68.868 -0.740 0.000 0.984 214 T HN 0.349 nan 8.240 nan 0.000 0.537 215 N N 1.391 120.028 118.700 -0.105 0.000 2.671 215 N HA -0.187 4.553 4.740 -0.000 0.000 0.261 215 N C 0.277 175.777 175.510 -0.016 0.000 1.053 215 N CA 0.912 53.953 53.050 -0.015 0.000 0.732 215 N CB -1.862 36.646 38.487 0.034 0.000 0.887 215 N HN 0.923 nan 8.380 nan 0.000 0.546 216 I N -2.551 118.009 120.570 -0.017 0.000 4.147 216 I HA 0.365 4.535 4.170 -0.000 0.000 0.329 216 I C 0.076 176.205 176.117 0.019 0.000 1.424 216 I CA -0.634 60.664 61.300 -0.004 0.000 1.127 216 I CB 0.121 38.105 38.000 -0.028 0.000 1.128 216 I HN 0.044 nan 8.210 nan 0.000 0.417 217 I N 4.271 124.877 120.570 0.059 0.000 2.578 217 I HA 0.052 4.222 4.170 -0.000 0.000 0.286 217 I C 0.971 177.134 176.117 0.076 0.000 1.126 217 I CA 0.246 61.610 61.300 0.107 0.000 1.380 217 I CB 0.415 38.538 38.000 0.204 0.000 1.408 217 I HN 0.334 nan 8.210 nan 0.000 0.532 218 T N 3.528 118.108 114.554 0.044 0.000 2.882 218 T HA 0.267 4.617 4.350 -0.000 0.000 0.287 218 T C -1.582 173.169 174.700 0.084 0.000 1.014 218 T CA -1.744 60.403 62.100 0.078 0.000 1.049 218 T CB 1.232 70.182 68.868 0.137 0.000 1.001 218 T HN 0.297 nan 8.240 nan 0.000 0.525 219 P HA -0.115 nan 4.420 nan 0.000 0.217 219 P C 1.042 178.393 177.300 0.085 0.000 1.148 219 P CA 1.256 64.407 63.100 0.084 0.000 0.828 219 P CB 0.026 31.767 31.700 0.068 0.000 0.783 220 D N -1.971 118.479 120.400 0.082 0.000 2.417 220 D HA -0.011 4.629 4.640 -0.000 0.000 0.207 220 D C 1.751 178.060 176.300 0.016 0.000 1.075 220 D CA -0.101 53.941 54.000 0.071 0.000 0.851 220 D CB -0.919 39.931 40.800 0.083 0.000 0.976 220 D HN -0.002 nan 8.370 nan 0.000 0.505 221 L N 0.343 121.512 121.223 -0.089 0.000 2.021 221 L HA -0.079 4.261 4.340 -0.000 0.000 0.215 221 L C 0.962 177.529 176.870 -0.504 0.000 1.074 221 L CA 1.722 56.281 54.840 -0.469 0.000 0.760 221 L CB -0.753 40.864 42.059 -0.738 0.000 0.889 221 L HN -0.029 nan 8.230 nan 0.000 0.433 222 F N -0.596 119.384 119.950 0.049 0.000 2.925 222 F HA 0.296 4.823 4.527 -0.000 0.000 0.302 222 F C 0.620 176.448 175.800 0.047 0.000 1.189 222 F CA -0.691 57.361 58.000 0.088 0.000 1.346 222 F CB -0.220 38.837 39.000 0.095 0.000 0.954 222 F HN -0.017 nan 8.300 nan 0.000 0.506 223 E N 0.546 120.805 120.200 0.098 0.000 2.265 223 E HA 0.378 4.728 4.350 -0.000 0.000 0.272 223 E C 1.143 177.775 176.600 0.053 0.000 1.067 223 E CA 0.939 57.380 56.400 0.069 0.000 0.900 223 E CB 0.432 30.148 29.700 0.027 0.000 1.017 223 E HN 0.524 nan 8.360 nan 0.000 0.431 224 G N 3.179 112.028 108.800 0.082 0.000 2.234 224 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.260 224 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.260 224 G C 1.313 176.297 174.900 0.141 0.000 0.987 224 G CA 0.656 45.807 45.100 0.085 0.000 0.625 224 G HN 0.598 nan 8.290 nan 0.000 0.532 225 T N 0.994 115.653 114.554 0.175 0.000 2.708 225 T HA 0.105 4.455 4.350 -0.000 0.000 0.266 225 T C 2.766 177.624 174.700 0.264 0.000 1.037 225 T CA 2.515 64.772 62.100 0.262 0.000 1.146 225 T CB -0.419 68.710 68.868 0.435 0.000 0.865 225 T HN 1.211 nan 8.240 nan 0.000 0.435 226 A N 1.125 124.053 122.820 0.180 0.000 1.969 226 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 226 A C 2.183 179.833 177.584 0.110 0.000 1.169 226 A CA 1.525 53.634 52.037 0.120 0.000 0.635 226 A CB -0.403 18.641 19.000 0.072 0.000 0.810 226 A HN 0.420 nan 8.150 nan 0.000 0.445 227 E N -1.518 118.756 120.200 0.124 0.000 2.112 227 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 227 E C 1.537 178.200 176.600 0.105 0.000 0.979 227 E CA 0.985 57.438 56.400 0.089 0.000 0.814 227 E CB -0.331 29.417 29.700 0.079 0.000 0.762 227 E HN 0.817 nan 8.360 nan 0.000 0.460 228 W N 0.930 122.232 121.300 0.004 0.000 2.358 228 W HA -0.138 4.522 4.660 -0.000 0.000 0.303 228 W C 1.601 178.113 176.519 -0.011 0.000 1.208 228 W CA 1.495 58.837 57.345 -0.005 0.000 1.274 228 W CB -0.113 29.349 29.460 0.003 0.000 1.138 228 W HN -0.007 nan 8.180 nan 0.000 0.515 229 I N 0.565 121.259 120.570 0.207 0.000 2.286 229 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 229 I C 2.577 178.597 176.117 -0.162 0.000 1.115 229 I CA 1.346 62.654 61.300 0.013 0.000 1.392 229 I CB -0.990 37.086 38.000 0.126 0.000 1.065 229 I HN 0.080 nan 8.210 nan 0.000 0.418 230 A N 0.784 123.544 122.820 -0.099 0.000 1.972 230 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 230 A C 2.333 179.807 177.584 -0.184 0.000 1.169 230 A CA 1.190 53.157 52.037 -0.116 0.000 0.635 230 A CB -0.486 18.479 19.000 -0.059 0.000 0.810 230 A HN 0.321 nan 8.150 nan 0.000 0.446 231 R N -1.091 119.255 120.500 -0.256 0.000 2.237 231 R HA -0.078 4.262 4.340 -0.000 0.000 0.219 231 R C 1.692 177.763 176.300 -0.382 0.000 1.080 231 R CA 1.143 57.063 56.100 -0.300 0.000 0.995 231 R CB -0.580 29.514 30.300 -0.344 0.000 0.875 231 R HN 0.590 nan 8.270 nan 0.000 0.462 232 C N 0.460 119.475 119.300 -0.476 0.000 2.514 232 C HA 0.004 4.464 4.460 -0.000 0.000 0.271 232 C C 1.420 176.210 174.990 -0.333 0.000 1.399 232 C CA -0.286 58.451 59.018 -0.468 0.000 1.765 232 C CB -0.682 26.725 27.740 -0.555 0.000 1.893 232 C HN 0.447 nan 8.230 nan 0.000 0.531 233 Q N 2.532 122.165 119.800 -0.278 0.000 2.297 233 Q HA 0.127 4.467 4.340 -0.000 0.000 0.267 233 Q C 0.183 176.039 176.000 -0.239 0.000 1.006 233 Q CA 0.310 55.955 55.803 -0.263 0.000 0.896 233 Q CB 0.536 29.152 28.738 -0.203 0.000 1.186 233 Q HN 0.708 nan 8.270 nan 0.000 0.392 234 N N 3.521 122.038 118.700 -0.306 0.000 2.813 234 N HA 0.131 4.871 4.740 -0.000 0.000 0.320 234 N C 0.669 176.040 175.510 -0.230 0.000 1.315 234 N CA -0.656 52.243 53.050 -0.252 0.000 0.871 234 N CB -0.321 37.969 38.487 -0.329 0.000 1.241 234 N HN 0.872 nan 8.380 nan 0.000 0.602 235 W N -0.858 120.384 121.300 -0.097 0.000 2.632 235 W HA 0.063 4.723 4.660 -0.000 0.000 0.248 235 W C 0.255 176.746 176.519 -0.046 0.000 1.259 235 W CA 0.360 57.669 57.345 -0.059 0.000 1.288 235 W CB -0.735 28.703 29.460 -0.037 0.000 1.136 235 W HN 0.569 nan 8.180 nan 0.000 0.640 236 E N 0.111 119.829 120.200 -0.804 0.000 2.385 236 E HA 0.148 4.498 4.350 -0.000 0.000 0.194 236 E C 2.088 178.497 176.600 -0.319 0.000 1.013 236 E CA 0.779 56.758 56.400 -0.702 0.000 0.866 236 E CB -0.128 28.965 29.700 -1.013 0.000 0.832 236 E HN 0.391 nan 8.360 nan 0.000 0.500 237 G N 0.651 109.245 108.800 -0.343 0.000 2.308 237 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.221 237 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.221 237 G C 0.602 175.253 174.900 -0.415 0.000 1.032 237 G CA -0.200 44.777 45.100 -0.206 0.000 0.623 237 G HN 0.511 nan 8.290 nan 0.000 0.506 238 G N -0.304 107.895 108.800 -1.002 0.000 2.543 238 G HA2 0.629 4.589 3.960 -0.000 0.000 0.290 238 G HA3 0.629 4.589 3.960 -0.000 0.000 0.290 238 G C -0.147 174.253 174.900 -0.833 0.000 1.310 238 G CA -0.486 43.777 45.100 -1.395 0.000 1.025 238 G HN 0.683 nan 8.290 nan 0.000 0.502 239 I N 0.123 120.285 120.570 -0.680 0.000 2.441 239 I HA 0.490 4.660 4.170 -0.000 0.000 0.295 239 I C 0.809 176.752 176.117 -0.291 0.000 0.994 239 I CA -0.697 60.368 61.300 -0.391 0.000 1.144 239 I CB 2.038 39.894 38.000 -0.240 0.000 1.314 239 I HN 0.574 nan 8.210 nan 0.000 0.445 240 G N 2.486 111.124 108.800 -0.270 0.000 2.521 240 G HA2 0.456 4.416 3.960 -0.000 0.000 0.323 240 G HA3 0.456 4.416 3.960 -0.000 0.000 0.323 240 G C 0.817 175.496 174.900 -0.368 0.000 1.211 240 G CA -0.187 44.787 45.100 -0.210 0.000 0.979 240 G HN 0.771 nan 8.290 nan 0.000 0.490 241 G N -1.091 107.316 108.800 -0.655 0.000 2.459 241 G HA2 0.174 4.134 3.960 -0.000 0.000 0.217 241 G HA3 0.174 4.134 3.960 -0.000 0.000 0.217 241 G C 0.765 175.391 174.900 -0.456 0.000 1.183 241 G CA 2.024 46.437 45.100 -1.145 0.000 0.776 241 G HN 1.459 nan 8.290 nan 0.000 0.552 242 V N -4.045 115.691 119.914 -0.296 0.000 3.126 242 V HA 0.691 4.811 4.120 -0.000 0.000 0.314 242 V C -2.901 173.029 176.094 -0.274 0.000 1.138 242 V CA -3.065 59.121 62.300 -0.190 0.000 1.034 242 V CB 1.723 33.562 31.823 0.026 0.000 1.075 242 V HN -0.065 nan 8.190 nan 0.000 0.442 243 P HA 0.324 nan 4.420 nan 0.000 0.261 243 P C 0.918 178.130 177.300 -0.147 0.000 1.183 243 P CA 2.018 64.950 63.100 -0.280 0.000 0.761 243 P CB 0.528 32.067 31.700 -0.268 0.000 0.785 244 G N 1.782 110.512 108.800 -0.117 0.000 2.232 244 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.226 244 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.226 244 G C 0.182 175.070 174.900 -0.020 0.000 0.996 244 G CA -0.432 44.644 45.100 -0.040 0.000 0.626 244 G HN 0.393 nan 8.290 nan 0.000 0.509 245 M N 1.134 120.688 119.600 -0.076 0.000 2.368 245 M HA 0.448 4.928 4.480 -0.000 0.000 0.311 245 M C 0.703 176.962 176.300 -0.069 0.000 1.168 245 M CA -0.911 54.355 55.300 -0.056 0.000 1.044 245 M CB 0.956 33.501 32.600 -0.092 0.000 1.506 245 M HN 0.359 nan 8.290 nan 0.000 0.475 246 E N 0.941 121.133 120.200 -0.013 0.000 2.415 246 E HA 0.286 4.636 4.350 -0.000 0.000 0.262 246 E C -0.689 175.861 176.600 -0.084 0.000 1.038 246 E CA -0.367 56.016 56.400 -0.028 0.000 0.921 246 E CB 0.797 30.538 29.700 0.070 0.000 0.950 246 E HN 0.693 nan 8.360 nan 0.000 0.438 247 A N 4.798 127.474 122.820 -0.240 0.000 2.488 247 A HA 0.082 4.402 4.320 -0.000 0.000 0.249 247 A C -0.486 177.095 177.584 -0.006 0.000 1.083 247 A CA 0.153 51.954 52.037 -0.394 0.000 0.768 247 A CB 0.279 18.681 19.000 -0.997 0.000 1.017 247 A HN 0.705 nan 8.150 nan 0.000 0.496 248 H N 1.552 120.597 119.070 -0.042 0.000 2.865 248 H HA 0.373 4.929 4.556 -0.000 0.000 0.362 248 H C 1.221 176.648 175.328 0.164 0.000 1.114 248 H CA 0.153 56.287 56.048 0.143 0.000 1.208 248 H CB 1.851 31.701 29.762 0.145 0.000 1.727 248 H HN 0.695 nan 8.280 nan 0.000 0.534 249 G N 2.409 111.134 108.800 -0.124 0.000 2.476 249 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 249 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 249 G C 1.520 176.492 174.900 0.121 0.000 1.164 249 G CA 0.919 46.044 45.100 0.043 0.000 0.768 249 G HN 0.672 nan 8.290 nan 0.000 0.560 250 G N -0.384 108.441 108.800 0.043 0.000 2.422 250 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.218 250 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.218 250 G C 1.634 176.393 174.900 -0.234 0.000 1.146 250 G CA 0.864 45.718 45.100 -0.411 0.000 0.769 250 G HN 0.542 nan 8.290 nan 0.000 0.547 251 Y N 0.793 121.109 120.300 0.026 0.000 2.263 251 Y HA -0.071 4.479 4.550 -0.000 0.000 0.292 251 Y C 3.336 179.217 175.900 -0.031 0.000 1.130 251 Y CA 1.131 59.221 58.100 -0.017 0.000 1.179 251 Y CB -0.184 38.263 38.460 -0.021 0.000 0.998 251 Y HN 0.112 nan 8.280 nan 0.000 0.532 252 T N 0.687 115.322 114.554 0.135 0.000 2.708 252 T HA -0.234 4.116 4.350 -0.000 0.000 0.266 252 T C 1.559 176.282 174.700 0.038 0.000 1.037 252 T CA 1.546 63.664 62.100 0.030 0.000 1.146 252 T CB -0.699 68.193 68.868 0.041 0.000 0.865 252 T HN 0.360 nan 8.240 nan 0.000 0.435 253 F N 1.493 121.427 119.950 -0.028 0.000 2.095 253 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 253 F C 2.452 178.144 175.800 -0.180 0.000 1.104 253 F CA 0.855 58.811 58.000 -0.073 0.000 1.232 253 F CB -0.842 38.189 39.000 0.051 0.000 0.987 253 F HN 0.152 nan 8.300 nan 0.000 0.475 254 C N 0.953 120.141 119.300 -0.186 0.000 2.413 254 C HA -0.118 4.342 4.460 -0.000 0.000 0.276 254 C C 3.102 177.965 174.990 -0.211 0.000 1.248 254 C CA 1.349 60.150 59.018 -0.362 0.000 1.742 254 C CB -1.947 25.786 27.740 -0.010 0.000 2.017 254 C HN 0.759 nan 8.230 nan 0.000 0.481 255 G N -0.072 108.670 108.800 -0.096 0.000 2.414 255 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.215 255 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.215 255 G C 1.490 176.321 174.900 -0.115 0.000 1.188 255 G CA 0.890 45.959 45.100 -0.053 0.000 0.783 255 G HN 0.423 nan 8.290 nan 0.000 0.537 256 L N 1.501 122.621 121.223 -0.172 0.000 2.012 256 L HA 0.079 4.419 4.340 -0.000 0.000 0.210 256 L C 3.093 179.827 176.870 -0.226 0.000 1.073 256 L CA 2.303 57.041 54.840 -0.171 0.000 0.748 256 L CB -0.788 41.179 42.059 -0.153 0.000 0.891 256 L HN 0.252 nan 8.230 nan 0.000 0.431 257 A N -0.786 121.779 122.820 -0.424 0.000 1.933 257 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 257 A C 2.427 179.924 177.584 -0.145 0.000 1.175 257 A CA 1.725 53.519 52.037 -0.405 0.000 0.628 257 A CB -1.089 17.375 19.000 -0.894 0.000 0.814 257 A HN 0.571 nan 8.150 nan 0.000 0.444 258 A N -0.291 122.491 122.820 -0.063 0.000 1.898 258 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 258 A C 2.151 179.672 177.584 -0.105 0.000 1.181 258 A CA 1.411 53.427 52.037 -0.035 0.000 0.620 258 A CB -0.527 18.487 19.000 0.023 0.000 0.819 258 A HN 0.466 nan 8.150 nan 0.000 0.442 259 L N -0.554 120.619 121.223 -0.083 0.000 2.093 259 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 259 L C 2.513 179.345 176.870 -0.064 0.000 1.085 259 L CA 0.887 55.687 54.840 -0.066 0.000 0.755 259 L CB -0.508 41.522 42.059 -0.048 0.000 0.904 259 L HN 0.247 nan 8.230 nan 0.000 0.435 260 V N 0.323 120.194 119.914 -0.072 0.000 2.332 260 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 260 V C 2.317 178.385 176.094 -0.043 0.000 1.055 260 V CA 1.840 64.113 62.300 -0.045 0.000 1.038 260 V CB -0.292 31.505 31.823 -0.044 0.000 0.651 260 V HN 0.314 nan 8.190 nan 0.000 0.450 261 I N -0.455 120.064 120.570 -0.085 0.000 2.226 261 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 261 I C 2.026 178.085 176.117 -0.097 0.000 1.100 261 I CA 1.612 62.856 61.300 -0.093 0.000 1.374 261 I CB -0.211 37.690 38.000 -0.166 0.000 1.057 261 I HN 0.239 nan 8.210 nan 0.000 0.413 262 L N 0.215 121.357 121.223 -0.136 0.000 2.610 262 L HA -0.013 4.327 4.340 -0.000 0.000 0.232 262 L C 0.495 177.343 176.870 -0.037 0.000 1.149 262 L CA 0.282 55.054 54.840 -0.115 0.000 0.872 262 L CB -0.447 41.526 42.059 -0.144 0.000 0.992 262 L HN 0.213 nan 8.230 nan 0.000 0.447 263 K N 0.216 120.601 120.400 -0.025 0.000 3.125 263 K HA -0.167 4.153 4.320 -0.000 0.000 0.268 263 K C 0.101 176.703 176.600 0.004 0.000 1.078 263 K CA 0.420 56.708 56.287 0.002 0.000 0.775 263 K CB -0.961 31.550 32.500 0.017 0.000 1.253 263 K HN 0.151 nan 8.250 nan 0.000 0.486 264 K N 0.148 120.545 120.400 -0.006 0.000 2.676 264 K HA 0.063 4.383 4.320 -0.000 0.000 0.205 264 K C 0.194 176.792 176.600 -0.004 0.000 1.084 264 K CA -0.026 56.262 56.287 0.002 0.000 1.057 264 K CB 0.867 33.371 32.500 0.007 0.000 0.791 264 K HN 0.206 nan 8.250 nan 0.000 0.484 265 E N 0.700 120.897 120.200 -0.006 0.000 2.171 265 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 265 E C 1.417 178.014 176.600 -0.004 0.000 0.997 265 E CA 1.265 57.659 56.400 -0.009 0.000 0.810 265 E CB -0.078 29.622 29.700 -0.001 0.000 0.738 265 E HN 0.197 nan 8.360 nan 0.000 0.467 266 R N 0.228 120.729 120.500 0.003 0.000 2.276 266 R HA 0.121 4.461 4.340 -0.000 0.000 0.203 266 R C 1.844 178.144 176.300 0.000 0.000 1.017 266 R CA 0.577 56.680 56.100 0.005 0.000 1.010 266 R CB 0.054 30.360 30.300 0.010 0.000 0.900 266 R HN 0.025 nan 8.270 nan 0.000 0.469 267 S N 0.816 116.515 115.700 -0.002 0.000 2.469 267 S HA -0.019 4.451 4.470 -0.000 0.000 0.238 267 S C 0.820 175.409 174.600 -0.019 0.000 0.998 267 S CA 0.746 58.942 58.200 -0.006 0.000 0.957 267 S CB -0.014 63.185 63.200 -0.002 0.000 0.764 267 S HN 0.184 nan 8.310 nan 0.000 0.514 268 L N 1.703 122.912 121.223 -0.023 0.000 2.375 268 L HA 0.364 4.704 4.340 -0.000 0.000 0.268 268 L C 0.433 177.289 176.870 -0.023 0.000 1.058 268 L CA -0.803 54.015 54.840 -0.036 0.000 0.803 268 L CB 0.461 42.493 42.059 -0.045 0.000 1.212 268 L HN -0.022 nan 8.230 nan 0.000 0.451 269 N N 2.081 120.764 118.700 -0.028 0.000 2.466 269 N HA 0.091 4.831 4.740 -0.000 0.000 0.263 269 N C 0.606 176.114 175.510 -0.003 0.000 1.178 269 N CA 0.216 53.259 53.050 -0.012 0.000 0.983 269 N CB 0.505 38.984 38.487 -0.013 0.000 1.331 269 N HN 0.554 nan 8.380 nan 0.000 0.500 270 L N 2.288 123.516 121.223 0.009 0.000 2.291 270 L HA -0.096 4.244 4.340 -0.000 0.000 0.214 270 L C 2.202 179.097 176.870 0.042 0.000 1.120 270 L CA 0.714 55.568 54.840 0.023 0.000 0.799 270 L CB -0.207 41.867 42.059 0.026 0.000 0.925 270 L HN 0.426 nan 8.230 nan 0.000 0.446 271 K N 0.991 121.415 120.400 0.039 0.000 2.001 271 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 271 K C 2.315 178.953 176.600 0.064 0.000 1.048 271 K CA 1.978 58.295 56.287 0.050 0.000 0.932 271 K CB -0.320 32.205 32.500 0.041 0.000 0.715 271 K HN 0.238 nan 8.250 nan 0.000 0.437 272 S N 0.511 116.242 115.700 0.052 0.000 2.402 272 S HA -0.118 4.352 4.470 -0.000 0.000 0.229 272 S C 1.958 176.613 174.600 0.093 0.000 1.021 272 S CA 0.958 59.196 58.200 0.064 0.000 0.974 272 S CB -0.579 62.641 63.200 0.034 0.000 0.800 272 S HN 0.345 nan 8.310 nan 0.000 0.484 273 L N 1.276 122.539 121.223 0.067 0.000 2.017 273 L HA 0.130 4.470 4.340 -0.000 0.000 0.208 273 L C 2.244 179.232 176.870 0.195 0.000 1.073 273 L CA 1.695 56.598 54.840 0.105 0.000 0.745 273 L CB -1.142 40.941 42.059 0.040 0.000 0.894 273 L HN 0.421 nan 8.230 nan 0.000 0.432 274 L N -0.344 120.964 121.223 0.142 0.000 2.046 274 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 274 L C 2.615 179.577 176.870 0.153 0.000 1.077 274 L CA 2.209 57.137 54.840 0.147 0.000 0.747 274 L CB -0.776 41.356 42.059 0.123 0.000 0.896 274 L HN 0.581 nan 8.230 nan 0.000 0.432 275 Q N -1.683 118.204 119.800 0.145 0.000 2.124 275 Q HA -0.284 4.056 4.340 -0.000 0.000 0.202 275 Q C 2.076 178.163 176.000 0.146 0.000 0.977 275 Q CA 2.284 58.165 55.803 0.130 0.000 0.850 275 Q CB -0.495 28.314 28.738 0.119 0.000 0.901 275 Q HN 0.684 nan 8.270 nan 0.000 0.429 276 W N -0.473 120.830 121.300 0.005 0.000 2.379 276 W HA -0.157 4.503 4.660 -0.000 0.000 0.307 276 W C 1.957 178.478 176.519 0.003 0.000 1.200 276 W CA 1.377 58.709 57.345 -0.021 0.000 1.297 276 W CB -0.524 28.894 29.460 -0.070 0.000 1.140 276 W HN 0.039 nan 8.180 nan 0.000 0.507 277 V N 1.223 121.182 119.914 0.076 0.000 2.343 277 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 277 V C 2.462 178.517 176.094 -0.064 0.000 1.051 277 V CA 3.079 65.294 62.300 -0.142 0.000 1.036 277 V CB -1.064 30.807 31.823 0.081 0.000 0.654 277 V HN 0.459 nan 8.190 nan 0.000 0.451 278 T N -3.539 111.042 114.554 0.044 0.000 2.995 278 T HA -0.084 4.266 4.350 -0.000 0.000 0.269 278 T C 1.783 176.482 174.700 -0.002 0.000 1.091 278 T CA 1.469 63.635 62.100 0.110 0.000 1.128 278 T CB -0.336 68.614 68.868 0.137 0.000 0.891 278 T HN 0.412 nan 8.240 nan 0.000 0.492 279 S N 0.928 116.566 115.700 -0.103 0.000 2.607 279 S HA 0.141 4.611 4.470 -0.000 0.000 0.224 279 S C 1.786 176.238 174.600 -0.247 0.000 0.969 279 S CA -0.088 58.020 58.200 -0.153 0.000 0.927 279 S CB -0.140 62.974 63.200 -0.144 0.000 0.772 279 S HN 0.422 nan 8.310 nan 0.000 0.533 280 R N 0.970 121.299 120.500 -0.285 0.000 2.300 280 R HA 0.189 4.529 4.340 -0.000 0.000 0.199 280 R C 0.693 176.803 176.300 -0.316 0.000 0.920 280 R CA 0.023 55.950 56.100 -0.288 0.000 1.046 280 R CB -0.182 29.901 30.300 -0.362 0.000 0.984 280 R HN 0.465 nan 8.270 nan 0.000 0.493 281 Q N 1.319 120.770 119.800 -0.581 0.000 2.295 281 Q HA 0.165 4.505 4.340 -0.000 0.000 0.259 281 Q C -0.467 175.253 176.000 -0.467 0.000 0.976 281 Q CA -0.289 54.889 55.803 -1.040 0.000 0.923 281 Q CB 0.754 28.854 28.738 -1.064 0.000 1.185 281 Q HN -0.150 nan 8.270 nan 0.000 0.410 282 M N 4.046 123.409 119.600 -0.394 0.000 2.219 282 M HA 0.070 4.550 4.480 -0.000 0.000 0.353 282 M C 1.114 177.363 176.300 -0.086 0.000 1.304 282 M CA 0.555 55.747 55.300 -0.180 0.000 1.115 282 M CB 0.408 32.925 32.600 -0.138 0.000 1.664 282 M HN 0.688 nan 8.290 nan 0.000 0.459 283 R N 1.236 121.732 120.500 -0.006 0.000 2.115 283 R HA -0.120 4.220 4.340 -0.000 0.000 0.230 283 R C 1.473 177.860 176.300 0.145 0.000 1.111 283 R CA 1.410 57.546 56.100 0.060 0.000 0.976 283 R CB -0.399 29.931 30.300 0.049 0.000 0.870 283 R HN 0.568 nan 8.270 nan 0.000 0.445 284 F N 1.800 121.753 119.950 0.005 0.000 2.343 284 F HA 0.199 4.726 4.527 0.000 0.000 0.286 284 F C 1.567 177.569 175.800 0.337 0.000 1.057 284 F CA 0.778 58.807 58.000 0.049 0.000 1.365 284 F CB 0.328 39.321 39.000 -0.011 0.000 1.114 284 F HN -0.143 nan 8.300 nan 0.000 0.545 285 E N 0.098 120.390 120.200 0.155 0.000 2.158 285 E HA 0.136 4.486 4.350 -0.000 0.000 0.191 285 E C 1.866 178.490 176.600 0.041 0.000 0.982 285 E CA 1.145 57.590 56.400 0.075 0.000 0.823 285 E CB -0.508 29.159 29.700 -0.055 0.000 0.766 285 E HN 0.539 nan 8.360 nan 0.000 0.468 286 G N -0.031 108.730 108.800 -0.064 0.000 2.253 286 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.251 286 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.251 286 G C 0.683 175.458 174.900 -0.208 0.000 0.998 286 G CA 0.060 45.109 45.100 -0.085 0.000 0.621 286 G HN 0.621 nan 8.290 nan 0.000 0.524 287 G N -0.691 107.815 108.800 -0.490 0.000 2.563 287 G HA2 0.592 4.552 3.960 -0.000 0.000 0.283 287 G HA3 0.592 4.552 3.960 -0.000 0.000 0.283 287 G C -0.431 174.224 174.900 -0.410 0.000 1.309 287 G CA -0.655 44.144 45.100 -0.502 0.000 1.022 287 G HN 0.282 nan 8.290 nan 0.000 0.501 288 F N -0.552 119.303 119.950 -0.159 0.000 2.470 288 F HA 0.413 4.940 4.527 0.000 0.000 0.329 288 F C 0.774 176.539 175.800 -0.059 0.000 1.072 288 F CA -0.603 57.325 58.000 -0.120 0.000 0.989 288 F CB 2.102 41.038 39.000 -0.108 0.000 1.193 288 F HN 0.525 nan 8.300 nan 0.000 0.481 289 Q N 0.556 120.365 119.800 0.015 0.000 2.241 289 Q HA 0.581 4.921 4.340 -0.000 0.000 0.262 289 Q C 0.369 176.036 176.000 -0.556 0.000 1.014 289 Q CA -0.607 55.126 55.803 -0.117 0.000 0.885 289 Q CB 1.793 30.457 28.738 -0.124 0.000 1.311 289 Q HN 0.805 nan 8.270 nan 0.000 0.461 290 G N 0.868 109.093 108.800 -0.957 0.000 2.453 290 G HA2 0.009 3.969 3.960 -0.000 0.000 0.215 290 G HA3 0.009 3.969 3.960 -0.000 0.000 0.215 290 G C 0.275 174.688 174.900 -0.811 0.000 1.147 290 G CA 0.198 44.362 45.100 -1.561 0.000 0.802 290 G HN 0.700 nan 8.290 nan 0.000 0.535 291 R N -1.918 118.360 120.500 -0.371 0.000 2.710 291 R HA 0.429 4.769 4.340 -0.000 0.000 0.270 291 R C -1.088 175.182 176.300 -0.050 0.000 1.021 291 R CA -0.876 55.179 56.100 -0.074 0.000 0.889 291 R CB 0.144 30.496 30.300 0.087 0.000 1.243 291 R HN -0.009 nan 8.270 nan 0.000 0.464 292 C N 2.358 121.674 119.300 0.026 0.000 2.563 292 C HA 0.053 4.513 4.460 -0.000 0.000 0.411 292 C C 0.708 175.716 174.990 0.030 0.000 1.386 292 C CA 1.056 60.078 59.018 0.007 0.000 1.703 292 C CB -1.307 26.478 27.740 0.075 0.000 2.596 292 C HN 1.005 nan 8.230 nan 0.000 0.605 293 N N 2.161 120.867 118.700 0.010 0.000 2.782 293 N HA -0.139 4.601 4.740 -0.000 0.000 0.251 293 N C -0.294 175.235 175.510 0.031 0.000 1.101 293 N CA 1.438 54.503 53.050 0.026 0.000 0.764 293 N CB -0.701 37.815 38.487 0.049 0.000 1.122 293 N HN 0.817 nan 8.380 nan 0.000 0.561 294 K N -0.290 120.122 120.400 0.019 0.000 2.400 294 K HA 0.568 4.888 4.320 -0.000 0.000 0.249 294 K C 0.550 177.170 176.600 0.034 0.000 1.069 294 K CA -0.793 55.517 56.287 0.039 0.000 0.965 294 K CB 0.923 33.460 32.500 0.061 0.000 1.365 294 K HN -0.071 nan 8.250 nan 0.000 0.539 295 L N 0.926 122.191 121.223 0.070 0.000 2.375 295 L HA 0.324 4.664 4.340 -0.000 0.000 0.268 295 L C 0.376 177.309 176.870 0.105 0.000 1.058 295 L CA -0.930 53.957 54.840 0.078 0.000 0.803 295 L CB 1.374 43.488 42.059 0.092 0.000 1.212 295 L HN 0.244 nan 8.230 nan 0.000 0.451 296 V N 1.344 121.303 119.914 0.075 0.000 2.999 296 V HA 0.106 4.226 4.120 -0.000 0.000 0.307 296 V C -0.574 175.642 176.094 0.203 0.000 1.084 296 V CA 0.509 62.850 62.300 0.068 0.000 1.155 296 V CB 1.298 33.053 31.823 -0.113 0.000 0.975 296 V HN 0.877 nan 8.190 nan 0.000 0.490 297 D N 3.143 123.725 120.400 0.304 0.000 2.861 297 D HA 0.336 4.976 4.640 -0.000 0.000 0.216 297 D C 0.719 177.206 176.300 0.312 0.000 1.323 297 D CA 0.185 54.372 54.000 0.311 0.000 0.917 297 D CB 1.652 42.610 40.800 0.264 0.000 1.582 297 D HN 0.605 nan 8.370 nan 0.000 0.576 298 G N 1.850 110.863 108.800 0.354 0.000 2.499 298 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.221 298 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.221 298 G C 1.639 176.641 174.900 0.171 0.000 1.109 298 G CA 1.274 46.575 45.100 0.336 0.000 0.749 298 G HN 0.725 nan 8.290 nan 0.000 0.568 299 C N -1.841 117.493 119.300 0.055 0.000 2.468 299 C HA 0.274 4.734 4.460 -0.000 0.000 0.277 299 C C 2.244 177.141 174.990 -0.154 0.000 1.400 299 C CA -0.165 58.729 59.018 -0.206 0.000 1.770 299 C CB -1.416 26.001 27.740 -0.539 0.000 1.905 299 C HN 0.451 nan 8.230 nan 0.000 0.519 300 Y N 2.102 122.496 120.300 0.157 0.000 2.571 300 Y HA -0.035 4.515 4.550 -0.000 0.000 0.294 300 Y C 2.703 178.556 175.900 -0.078 0.000 1.141 300 Y CA 0.651 58.811 58.100 0.101 0.000 1.308 300 Y CB -0.288 38.246 38.460 0.122 0.000 1.002 300 Y HN 0.306 nan 8.280 nan 0.000 0.551 301 S N 0.087 115.863 115.700 0.127 0.000 2.440 301 S HA -0.204 4.266 4.470 -0.000 0.000 0.238 301 S C 1.454 175.989 174.600 -0.107 0.000 1.010 301 S CA 1.377 59.607 58.200 0.050 0.000 0.972 301 S CB -0.352 62.938 63.200 0.151 0.000 0.774 301 S HN 0.551 nan 8.310 nan 0.000 0.501 302 F N -0.030 119.728 119.950 -0.319 0.000 2.399 302 F HA 0.246 4.773 4.527 -0.000 0.000 0.282 302 F C 1.534 177.039 175.800 -0.492 0.000 1.027 302 F CA -0.190 57.534 58.000 -0.459 0.000 1.333 302 F CB -0.590 38.066 39.000 -0.573 0.000 1.132 302 F HN 0.127 nan 8.300 nan 0.000 0.590 303 W N 1.194 122.276 121.300 -0.363 0.000 2.338 303 W HA -0.197 4.463 4.660 -0.000 0.000 0.304 303 W C 2.406 178.689 176.519 -0.394 0.000 1.212 303 W CA 1.092 58.162 57.345 -0.458 0.000 1.264 303 W CB -0.496 28.903 29.460 -0.102 0.000 1.142 303 W HN 0.062 nan 8.180 nan 0.000 0.512 304 Q N 0.027 119.684 119.800 -0.238 0.000 2.013 304 Q HA -0.015 4.325 4.340 -0.000 0.000 0.195 304 Q C 2.471 177.950 176.000 -0.868 0.000 0.974 304 Q CA 1.569 57.045 55.803 -0.544 0.000 0.826 304 Q CB -1.408 26.865 28.738 -0.775 0.000 0.895 304 Q HN 0.294 nan 8.270 nan 0.000 0.448 305 A N 1.058 123.099 122.820 -1.298 0.000 2.019 305 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 305 A C 2.189 179.342 177.584 -0.717 0.000 1.164 305 A CA 1.641 52.915 52.037 -1.272 0.000 0.644 305 A CB -0.918 17.247 19.000 -1.392 0.000 0.805 305 A HN 0.451 nan 8.150 nan 0.000 0.449 306 G N -0.690 107.708 108.800 -0.670 0.000 2.598 306 G HA2 0.030 3.990 3.960 -0.000 0.000 0.215 306 G HA3 0.030 3.990 3.960 -0.000 0.000 0.215 306 G C 1.328 176.031 174.900 -0.329 0.000 1.131 306 G CA 0.630 45.370 45.100 -0.598 0.000 0.785 306 G HN 0.456 nan 8.290 nan 0.000 0.539 307 L N -0.333 120.741 121.223 -0.249 0.000 2.291 307 L HA 0.131 4.471 4.340 -0.000 0.000 0.214 307 L C 2.631 179.447 176.870 -0.089 0.000 1.120 307 L CA 0.225 55.002 54.840 -0.104 0.000 0.799 307 L CB -0.127 41.908 42.059 -0.039 0.000 0.925 307 L HN 0.188 nan 8.230 nan 0.000 0.446 308 L N -0.383 120.767 121.223 -0.121 0.000 2.109 308 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 308 L C -0.318 176.510 176.870 -0.071 0.000 1.086 308 L CA 1.024 55.879 54.840 0.024 0.000 0.760 308 L CB -1.347 40.861 42.059 0.248 0.000 0.910 308 L HN 0.194 nan 8.230 nan 0.000 0.437 309 P HA -0.143 nan 4.420 nan 0.000 0.218 309 P C 1.821 179.042 177.300 -0.132 0.000 1.149 309 P CA 1.258 63.941 63.100 -0.696 0.000 0.817 309 P CB 0.119 31.213 31.700 -1.009 0.000 0.785 310 L N -1.593 119.569 121.223 -0.103 0.000 2.072 310 L HA -0.113 4.227 4.340 -0.000 0.000 0.205 310 L C 2.402 179.298 176.870 0.043 0.000 1.079 310 L CA 1.246 56.070 54.840 -0.027 0.000 0.752 310 L CB -0.929 41.089 42.059 -0.067 0.000 0.906 310 L HN -0.050 nan 8.230 nan 0.000 0.436 311 L N -1.093 120.171 121.223 0.068 0.000 2.141 311 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 311 L C 2.582 179.555 176.870 0.173 0.000 1.094 311 L CA 1.048 55.953 54.840 0.108 0.000 0.763 311 L CB -0.580 41.551 42.059 0.120 0.000 0.908 311 L HN 0.301 nan 8.230 nan 0.000 0.437 312 H N 0.009 119.180 119.070 0.169 0.000 2.357 312 H HA -0.158 4.398 4.556 -0.000 0.000 0.301 312 H C 2.481 177.934 175.328 0.209 0.000 1.082 312 H CA 1.581 57.784 56.048 0.258 0.000 1.342 312 H CB 0.198 30.233 29.762 0.456 0.000 1.389 312 H HN 0.045 nan 8.280 nan 0.000 0.511 313 R N -0.116 120.550 120.500 0.278 0.000 2.148 313 R HA -0.013 4.327 4.340 -0.000 0.000 0.223 313 R C 2.115 178.496 176.300 0.135 0.000 1.088 313 R CA 0.890 57.098 56.100 0.181 0.000 0.985 313 R CB -0.122 30.249 30.300 0.118 0.000 0.880 313 R HN 0.400 nan 8.270 nan 0.000 0.451 314 A N 1.008 123.891 122.820 0.105 0.000 1.874 314 A HA -0.031 4.289 4.320 -0.000 0.000 0.214 314 A C 2.130 179.756 177.584 0.070 0.000 1.189 314 A CA 0.667 52.748 52.037 0.074 0.000 0.615 314 A CB -0.386 18.644 19.000 0.050 0.000 0.830 314 A HN 0.284 nan 8.150 nan 0.000 0.443 315 L N -1.276 119.985 121.223 0.063 0.000 2.093 315 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 315 L C 2.676 179.562 176.870 0.026 0.000 1.085 315 L CA 1.385 56.244 54.840 0.031 0.000 0.755 315 L CB -0.633 41.433 42.059 0.011 0.000 0.904 315 L HN 0.556 nan 8.230 nan 0.000 0.435 316 H N 0.284 119.326 119.070 -0.047 0.000 2.457 316 H HA -0.088 4.468 4.556 -0.000 0.000 0.294 316 H C 2.062 177.395 175.328 0.008 0.000 1.064 316 H CA 1.355 57.385 56.048 -0.030 0.000 1.330 316 H CB 0.440 30.194 29.762 -0.013 0.000 1.395 316 H HN 0.328 nan 8.280 nan 0.000 0.541 317 A N 0.544 123.457 122.820 0.156 0.000 1.968 317 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 317 A C 2.346 179.955 177.584 0.041 0.000 1.169 317 A CA 1.048 53.149 52.037 0.106 0.000 0.638 317 A CB -0.306 18.749 19.000 0.091 0.000 0.812 317 A HN 0.498 nan 8.150 nan 0.000 0.446 318 Q N -1.701 118.111 119.800 0.019 0.000 2.297 318 Q HA 0.157 4.497 4.340 -0.000 0.000 0.204 318 Q C 1.048 177.029 176.000 -0.032 0.000 0.962 318 Q CA 0.572 56.373 55.803 -0.002 0.000 0.879 318 Q CB -0.004 28.734 28.738 0.001 0.000 0.947 318 Q HN 0.904 nan 8.270 nan 0.000 0.462 319 G N 1.838 110.590 108.800 -0.080 0.000 2.140 319 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.211 319 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.211 319 G C -0.544 174.280 174.900 -0.126 0.000 1.013 319 G CA -0.062 44.958 45.100 -0.133 0.000 0.705 319 G HN 0.273 nan 8.290 nan 0.000 0.508 320 D N 0.891 121.220 120.400 -0.118 0.000 2.412 320 D HA 0.242 4.882 4.640 -0.000 0.000 0.257 320 D C 0.064 176.307 176.300 -0.096 0.000 1.217 320 D CA -0.856 53.096 54.000 -0.080 0.000 0.897 320 D CB 1.263 42.031 40.800 -0.055 0.000 1.132 320 D HN 0.249 nan 8.370 nan 0.000 0.493 321 P HA 0.039 nan 4.420 nan 0.000 0.231 321 P C 0.648 177.939 177.300 -0.016 0.000 1.168 321 P CA 0.209 63.282 63.100 -0.046 0.000 0.779 321 P CB 0.382 32.064 31.700 -0.030 0.000 0.844 322 A N -0.213 122.603 122.820 -0.006 0.000 2.218 322 A HA 0.146 4.466 4.320 -0.000 0.000 0.209 322 A C 1.191 178.797 177.584 0.037 0.000 1.168 322 A CA -0.135 51.911 52.037 0.014 0.000 0.804 322 A CB -0.907 18.103 19.000 0.016 0.000 0.834 322 A HN 0.134 nan 8.150 nan 0.000 0.482 323 L N 1.059 122.303 121.223 0.035 0.000 2.490 323 L HA 0.067 4.407 4.340 -0.000 0.000 0.274 323 L C 1.083 178.057 176.870 0.173 0.000 1.201 323 L CA -0.259 54.631 54.840 0.083 0.000 0.869 323 L CB 0.686 42.717 42.059 -0.047 0.000 1.123 323 L HN 0.273 nan 8.230 nan 0.000 0.484 324 S N 3.062 118.901 115.700 0.232 0.000 2.573 324 S HA 0.142 4.612 4.470 -0.000 0.000 0.277 324 S C 0.808 175.520 174.600 0.187 0.000 1.346 324 S CA -0.396 57.890 58.200 0.143 0.000 1.034 324 S CB 0.543 63.781 63.200 0.064 0.000 0.879 324 S HN 0.587 nan 8.310 nan 0.000 0.528 325 M N 3.275 122.861 119.600 -0.023 0.000 2.405 325 M HA 0.138 4.618 4.480 -0.000 0.000 0.292 325 M C 0.968 176.954 176.300 -0.524 0.000 1.111 325 M CA 0.150 55.436 55.300 -0.024 0.000 0.979 325 M CB -0.279 32.345 32.600 0.040 0.000 1.426 325 M HN 0.835 nan 8.290 nan 0.000 0.509 326 S N -2.321 112.762 115.700 -1.028 0.000 2.692 326 S HA 0.194 4.664 4.470 -0.000 0.000 0.269 326 S C 0.290 173.879 174.600 -1.685 0.000 1.080 326 S CA -0.287 57.164 58.200 -1.248 0.000 1.058 326 S CB 0.766 63.587 63.200 -0.631 0.000 0.982 326 S HN 0.433 nan 8.310 nan 0.000 0.534 327 H N -0.606 117.739 119.070 -1.209 0.000 2.747 327 H HA 0.631 5.187 4.556 -0.000 0.000 0.371 327 H C -1.171 173.957 175.328 -0.332 0.000 1.161 327 H CA -0.765 54.882 56.048 -0.668 0.000 1.167 327 H CB 0.789 30.341 29.762 -0.349 0.000 1.732 327 H HN 0.326 nan 8.280 nan 0.000 0.544 328 W N 1.608 122.981 121.300 0.122 0.000 2.086 328 W HA 0.230 4.890 4.660 -0.000 0.000 0.355 328 W C 0.653 177.216 176.519 0.074 0.000 1.313 328 W CA -0.657 56.770 57.345 0.137 0.000 1.358 328 W CB 0.545 30.044 29.460 0.064 0.000 1.166 328 W HN 0.353 nan 8.180 nan 0.000 0.630 329 M N 3.043 122.947 119.600 0.507 0.000 3.376 329 M HA 0.165 4.645 4.480 -0.000 0.000 0.218 329 M C -1.129 175.417 176.300 0.409 0.000 1.295 329 M CA 0.168 55.680 55.300 0.353 0.000 1.386 329 M CB -0.951 31.847 32.600 0.330 0.000 1.205 329 M HN 0.315 nan 8.290 nan 0.000 0.496 330 F N -3.839 116.280 119.950 0.282 0.000 2.664 330 F HA 0.439 4.966 4.527 -0.000 0.000 0.317 330 F C -0.247 175.672 175.800 0.199 0.000 1.108 330 F CA -1.355 56.799 58.000 0.258 0.000 0.957 330 F CB 0.702 39.943 39.000 0.402 0.000 1.365 330 F HN -0.078 nan 8.300 nan 0.000 0.475 331 H N 2.727 121.932 119.070 0.226 0.000 3.330 331 H HA 0.123 4.679 4.556 0.000 0.000 0.260 331 H C 0.687 176.061 175.328 0.076 0.000 1.439 331 H CA 0.888 56.940 56.048 0.006 0.000 1.540 331 H CB 0.707 30.407 29.762 -0.103 0.000 1.698 331 H HN 0.842 nan 8.280 nan 0.000 0.516 332 Q N 2.451 122.197 119.800 -0.090 0.000 2.084 332 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 332 Q C 2.156 178.271 176.000 0.192 0.000 0.978 332 Q CA 1.304 57.100 55.803 -0.012 0.000 0.844 332 Q CB 0.184 28.832 28.738 -0.151 0.000 0.898 332 Q HN 0.703 nan 8.270 nan 0.000 0.426 333 Q N 0.135 120.034 119.800 0.164 0.000 2.030 333 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 333 Q C 2.015 178.113 176.000 0.163 0.000 0.986 333 Q CA 1.622 57.520 55.803 0.159 0.000 0.843 333 Q CB -0.178 28.642 28.738 0.137 0.000 0.904 333 Q HN 0.406 nan 8.270 nan 0.000 0.420 334 A N 0.453 123.366 122.820 0.154 0.000 1.972 334 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 334 A C 1.936 179.598 177.584 0.130 0.000 1.169 334 A CA 1.139 53.133 52.037 -0.072 0.000 0.635 334 A CB -0.551 18.127 19.000 -0.538 0.000 0.810 334 A HN 0.473 nan 8.150 nan 0.000 0.446 335 L N -0.247 121.134 121.223 0.263 0.000 2.056 335 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 335 L C 2.480 179.531 176.870 0.300 0.000 1.078 335 L CA 2.107 57.150 54.840 0.337 0.000 0.749 335 L CB -0.600 41.760 42.059 0.501 0.000 0.901 335 L HN 0.485 nan 8.230 nan 0.000 0.433 336 Q N -0.572 119.373 119.800 0.242 0.000 2.084 336 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 336 Q C 2.110 178.193 176.000 0.138 0.000 0.978 336 Q CA 1.967 57.869 55.803 0.165 0.000 0.844 336 Q CB -0.239 28.569 28.738 0.116 0.000 0.898 336 Q HN 0.621 nan 8.270 nan 0.000 0.426 337 E N 0.025 120.304 120.200 0.131 0.000 2.058 337 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 337 E C 1.772 178.495 176.600 0.206 0.000 0.997 337 E CA 1.326 57.794 56.400 0.113 0.000 0.801 337 E CB -0.204 29.514 29.700 0.031 0.000 0.746 337 E HN 0.338 nan 8.360 nan 0.000 0.450 338 Y N 1.233 121.623 120.300 0.150 0.000 2.145 338 Y HA -0.222 4.328 4.550 -0.000 0.000 0.286 338 Y C 1.915 177.889 175.900 0.124 0.000 1.145 338 Y CA 1.535 59.739 58.100 0.174 0.000 1.148 338 Y CB -0.175 38.372 38.460 0.146 0.000 0.981 338 Y HN -0.033 nan 8.280 nan 0.000 0.507 339 I N -0.401 120.191 120.570 0.037 0.000 2.142 339 I HA -0.332 3.838 4.170 -0.000 0.000 0.240 339 I C 2.294 178.365 176.117 -0.077 0.000 1.078 339 I CA 1.510 62.771 61.300 -0.064 0.000 1.343 339 I CB -0.543 37.494 38.000 0.062 0.000 1.046 339 I HN 0.222 nan 8.210 nan 0.000 0.405 340 L N -0.407 120.819 121.223 0.005 0.000 2.093 340 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 340 L C 2.560 179.445 176.870 0.025 0.000 1.085 340 L CA 1.424 56.279 54.840 0.026 0.000 0.755 340 L CB -0.386 41.701 42.059 0.047 0.000 0.904 340 L HN 0.275 nan 8.230 nan 0.000 0.435 341 M N -1.857 117.766 119.600 0.039 0.000 2.357 341 M HA -0.089 4.391 4.480 -0.000 0.000 0.266 341 M C 1.930 178.205 176.300 -0.041 0.000 1.095 341 M CA 1.040 56.390 55.300 0.083 0.000 1.156 341 M CB 0.061 32.812 32.600 0.251 0.000 1.365 341 M HN 0.342 nan 8.290 nan 0.000 0.447 342 C N -1.739 117.440 119.300 -0.202 0.000 3.019 342 C HA 0.148 4.608 4.460 -0.000 0.000 0.295 342 C C 1.926 176.720 174.990 -0.327 0.000 1.256 342 C CA -0.401 58.420 59.018 -0.327 0.000 1.706 342 C CB -0.326 27.085 27.740 -0.549 0.000 2.153 342 C HN 0.576 nan 8.230 nan 0.000 0.618 343 C N 0.626 119.739 119.300 -0.313 0.000 3.104 343 C HA 0.212 4.672 4.460 -0.000 0.000 0.284 343 C C 0.642 175.550 174.990 -0.137 0.000 1.326 343 C CA -0.134 58.745 59.018 -0.231 0.000 1.725 343 C CB -1.606 25.997 27.740 -0.228 0.000 2.156 343 C HN 0.596 nan 8.230 nan 0.000 0.638 344 Q N 0.405 120.151 119.800 -0.091 0.000 2.271 344 Q HA 0.325 4.665 4.340 -0.000 0.000 0.258 344 Q C -0.521 175.460 176.000 -0.031 0.000 0.936 344 Q CA -0.041 55.754 55.803 -0.014 0.000 0.909 344 Q CB 1.682 30.457 28.738 0.062 0.000 1.253 344 Q HN 0.488 nan 8.270 nan 0.000 0.440 345 C N 5.211 124.494 119.300 -0.029 0.000 2.347 345 C HA 0.352 4.812 4.460 -0.000 0.000 0.353 345 C C -1.317 173.645 174.990 -0.046 0.000 1.273 345 C CA -1.943 57.031 59.018 -0.072 0.000 1.861 345 C CB 0.069 27.718 27.740 -0.152 0.000 2.420 345 C HN 0.742 nan 8.230 nan 0.000 0.542 346 P HA -0.064 nan 4.420 nan 0.000 0.218 346 P C 1.180 178.443 177.300 -0.063 0.000 1.148 346 P CA 1.923 64.990 63.100 -0.055 0.000 0.822 346 P CB 0.038 31.709 31.700 -0.049 0.000 0.784 347 A N -1.174 121.604 122.820 -0.069 0.000 2.206 347 A HA 0.448 4.768 4.320 -0.000 0.000 0.211 347 A C 1.078 178.625 177.584 -0.061 0.000 1.158 347 A CA 0.899 52.902 52.037 -0.057 0.000 0.761 347 A CB -1.006 17.961 19.000 -0.055 0.000 0.801 347 A HN 0.351 nan 8.150 nan 0.000 0.473 348 G N -3.012 105.734 108.800 -0.090 0.000 2.539 348 G HA2 0.526 4.486 3.960 -0.000 0.000 0.686 348 G HA3 0.526 4.486 3.960 -0.000 0.000 0.686 348 G C 0.437 175.176 174.900 -0.268 0.000 1.258 348 G CA -0.206 44.875 45.100 -0.031 0.000 0.846 348 G HN 2.392 nan 8.290 nan 0.000 0.647 349 G N -1.352 107.449 108.800 0.001 0.000 2.758 349 G HA2 0.311 4.271 3.960 -0.000 0.000 0.686 349 G HA3 0.311 4.271 3.960 -0.000 0.000 0.686 349 G C -0.520 174.208 174.900 -0.288 0.000 1.389 349 G CA 0.214 45.080 45.100 -0.390 0.000 0.845 349 G HN 1.680 nan 8.290 nan 0.000 0.572 350 L N -0.191 120.874 121.223 -0.263 0.000 2.279 350 L HA 0.960 5.300 4.340 -0.000 0.000 0.262 350 L C 0.349 177.136 176.870 -0.139 0.000 1.019 350 L CA -0.966 53.753 54.840 -0.202 0.000 0.823 350 L CB 1.911 43.837 42.059 -0.221 0.000 1.358 350 L HN 1.001 nan 8.230 nan 0.000 0.432 351 L N -3.066 118.077 121.223 -0.134 0.000 2.397 351 L HA 0.693 5.033 4.340 -0.000 0.000 0.251 351 L C 0.351 177.097 176.870 -0.207 0.000 1.064 351 L CA -0.680 54.039 54.840 -0.202 0.000 0.859 351 L CB 0.490 42.422 42.059 -0.213 0.000 1.468 351 L HN 0.455 nan 8.230 nan 0.000 0.411 352 D N 0.319 120.453 120.400 -0.444 0.000 2.081 352 D HA -0.091 4.549 4.640 -0.000 0.000 0.194 352 D C 0.011 176.313 176.300 0.004 0.000 0.986 352 D CA 2.273 56.137 54.000 -0.227 0.000 0.837 352 D CB 0.334 40.931 40.800 -0.339 0.000 0.985 352 D HN 0.732 nan 8.370 nan 0.000 0.448 353 K N -1.674 118.704 120.400 -0.038 0.000 2.548 353 K HA 0.561 4.881 4.320 -0.000 0.000 0.282 353 K C -2.965 173.602 176.600 -0.055 0.000 1.006 353 K CA -1.845 54.453 56.287 0.018 0.000 0.892 353 K CB 1.487 34.058 32.500 0.118 0.000 1.499 353 K HN -0.271 nan 8.250 nan 0.000 0.433 354 P HA -0.017 nan 4.420 nan 0.000 0.264 354 P C 0.548 177.817 177.300 -0.052 0.000 1.183 354 P CA 1.746 64.802 63.100 -0.073 0.000 0.763 354 P CB 0.484 32.139 31.700 -0.075 0.000 0.807 355 G N 1.610 110.374 108.800 -0.060 0.000 2.254 355 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.225 355 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.225 355 G C 0.170 175.034 174.900 -0.060 0.000 1.003 355 G CA -0.293 44.777 45.100 -0.050 0.000 0.622 355 G HN 0.488 nan 8.290 nan 0.000 0.507 356 K N 1.422 121.775 120.400 -0.078 0.000 2.098 356 K HA 0.607 4.927 4.320 -0.000 0.000 0.257 356 K C 0.660 177.190 176.600 -0.116 0.000 0.999 356 K CA 0.336 56.562 56.287 -0.101 0.000 0.924 356 K CB 1.423 33.838 32.500 -0.142 0.000 1.028 356 K HN 0.639 nan 8.250 nan 0.000 0.466 357 S N 0.629 116.260 115.700 -0.116 0.000 2.578 357 S HA 0.398 4.868 4.470 -0.000 0.000 0.283 357 S C 0.100 174.618 174.600 -0.136 0.000 1.195 357 S CA -1.043 57.089 58.200 -0.114 0.000 1.050 357 S CB 1.184 64.333 63.200 -0.085 0.000 1.012 357 S HN 0.558 nan 8.310 nan 0.000 0.511 358 R N 0.836 121.244 120.500 -0.152 0.000 2.734 358 R HA 0.438 4.778 4.340 -0.000 0.000 0.266 358 R C -0.868 175.390 176.300 -0.070 0.000 1.044 358 R CA -0.155 55.841 56.100 -0.173 0.000 1.128 358 R CB -0.487 29.612 30.300 -0.335 0.000 1.010 358 R HN 0.849 nan 8.270 nan 0.000 0.461 359 D N -0.007 120.394 120.400 0.000 0.000 2.615 359 D HA 0.160 4.800 4.640 -0.000 0.000 0.267 359 D C -0.378 175.956 176.300 0.055 0.000 1.236 359 D CA -0.882 53.186 54.000 0.112 0.000 0.839 359 D CB 0.245 41.172 40.800 0.212 0.000 1.380 359 D HN 0.376 nan 8.370 nan 0.000 0.433 360 F N -1.014 119.098 119.950 0.271 0.000 2.325 360 F HA -0.003 4.524 4.527 0.000 0.000 0.299 360 F C 1.884 177.557 175.800 -0.210 0.000 1.090 360 F CA 0.363 58.417 58.000 0.090 0.000 1.392 360 F CB -0.288 38.771 39.000 0.099 0.000 1.053 360 F HN 0.454 nan 8.300 nan 0.000 0.521 361 Y N 0.536 120.534 120.300 -0.504 0.000 2.114 361 Y HA -0.275 4.275 4.550 -0.000 0.000 0.284 361 Y C 2.375 177.994 175.900 -0.468 0.000 1.143 361 Y CA 2.024 59.477 58.100 -1.079 0.000 1.135 361 Y CB -0.901 36.928 38.460 -1.052 0.000 0.980 361 Y HN 0.043 nan 8.280 nan 0.000 0.499 362 H N -1.027 117.860 119.070 -0.303 0.000 2.495 362 H HA -0.050 4.506 4.556 0.000 0.000 0.287 362 H C 2.114 177.283 175.328 -0.264 0.000 1.033 362 H CA 1.740 57.605 56.048 -0.305 0.000 1.307 362 H CB -0.185 29.509 29.762 -0.113 0.000 1.401 362 H HN 0.328 nan 8.280 nan 0.000 0.555 363 T N -0.772 113.719 114.554 -0.105 0.000 2.777 363 T HA -0.214 4.136 4.350 -0.000 0.000 0.266 363 T C 2.330 176.904 174.700 -0.209 0.000 1.040 363 T CA 1.264 63.293 62.100 -0.117 0.000 1.141 363 T CB -0.686 68.206 68.868 0.039 0.000 0.868 363 T HN 0.543 nan 8.240 nan 0.000 0.444 364 C N 0.582 119.694 119.300 -0.313 0.000 2.432 364 C HA -0.082 4.378 4.460 -0.000 0.000 0.277 364 C C 2.241 176.845 174.990 -0.643 0.000 1.249 364 C CA 0.494 59.223 59.018 -0.482 0.000 1.725 364 C CB -1.305 26.045 27.740 -0.650 0.000 2.028 364 C HN 0.659 nan 8.230 nan 0.000 0.477 365 Y N -1.140 118.881 120.300 -0.464 0.000 2.510 365 Y HA 0.100 4.650 4.550 0.000 0.000 0.273 365 Y C 2.662 178.371 175.900 -0.318 0.000 1.119 365 Y CA 0.643 58.425 58.100 -0.529 0.000 1.286 365 Y CB -0.366 37.617 38.460 -0.794 0.000 1.061 365 Y HN 0.353 nan 8.280 nan 0.000 0.542 366 C N -0.126 119.089 119.300 -0.142 0.000 2.457 366 C HA -0.085 4.375 4.460 -0.000 0.000 0.278 366 C C 2.545 177.495 174.990 -0.067 0.000 1.309 366 C CA 0.945 59.925 59.018 -0.063 0.000 1.735 366 C CB -1.020 26.679 27.740 -0.069 0.000 1.992 366 C HN 0.526 nan 8.230 nan 0.000 0.493 367 L N 0.042 121.187 121.223 -0.130 0.000 2.179 367 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 367 L C 2.615 179.433 176.870 -0.087 0.000 1.096 367 L CA 0.987 55.759 54.840 -0.112 0.000 0.779 367 L CB -0.558 41.408 42.059 -0.155 0.000 0.922 367 L HN 0.231 nan 8.230 nan 0.000 0.443 368 S N 0.257 115.878 115.700 -0.131 0.000 2.368 368 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 368 S C 2.067 176.728 174.600 0.101 0.000 1.030 368 S CA 1.344 59.502 58.200 -0.070 0.000 0.999 368 S CB -0.624 62.340 63.200 -0.393 0.000 0.844 368 S HN 0.596 nan 8.310 nan 0.000 0.459 369 G N 1.723 110.584 108.800 0.101 0.000 2.446 369 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 369 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 369 G C 1.398 176.377 174.900 0.132 0.000 1.168 369 G CA 0.985 46.164 45.100 0.133 0.000 0.771 369 G HN 0.408 nan 8.290 nan 0.000 0.551 370 L N 1.004 122.281 121.223 0.089 0.000 2.012 370 L HA -0.034 4.306 4.340 -0.000 0.000 0.210 370 L C 2.954 179.855 176.870 0.051 0.000 1.073 370 L CA 2.485 57.373 54.840 0.081 0.000 0.748 370 L CB -0.823 41.257 42.059 0.035 0.000 0.891 370 L HN 0.247 nan 8.230 nan 0.000 0.431 371 S N -0.790 114.930 115.700 0.033 0.000 2.359 371 S HA -0.178 4.292 4.470 -0.000 0.000 0.224 371 S C 2.048 176.696 174.600 0.079 0.000 1.035 371 S CA 1.504 59.707 58.200 0.006 0.000 1.018 371 S CB -0.333 62.920 63.200 0.087 0.000 0.876 371 S HN 0.401 nan 8.310 nan 0.000 0.448 372 I N 2.032 122.714 120.570 0.186 0.000 2.163 372 I HA -0.146 4.024 4.170 -0.000 0.000 0.243 372 I C 2.743 179.105 176.117 0.410 0.000 1.085 372 I CA 1.592 63.047 61.300 0.257 0.000 1.347 372 I CB -1.843 36.248 38.000 0.151 0.000 1.044 372 I HN 0.391 nan 8.210 nan 0.000 0.408 373 A N -0.553 122.511 122.820 0.406 0.000 2.168 373 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 373 A C 2.178 179.881 177.584 0.198 0.000 1.152 373 A CA 0.940 53.260 52.037 0.473 0.000 0.716 373 A CB -0.395 18.918 19.000 0.522 0.000 0.794 373 A HN 0.543 nan 8.150 nan 0.000 0.465 374 Q N -1.052 118.773 119.800 0.042 0.000 2.297 374 Q HA 0.039 4.379 4.340 -0.000 0.000 0.203 374 Q C -0.275 175.630 176.000 -0.158 0.000 0.931 374 Q CA 0.453 56.146 55.803 -0.183 0.000 0.885 374 Q CB 0.261 28.731 28.738 -0.447 0.000 0.991 374 Q HN 0.690 nan 8.270 nan 0.000 0.498 375 H N -0.907 118.281 119.070 0.196 0.000 2.481 375 H HA 0.249 4.805 4.556 0.000 0.000 0.333 375 H C -1.559 173.932 175.328 0.273 0.000 1.066 375 H CA -0.788 55.362 56.048 0.169 0.000 1.209 375 H CB 0.663 30.523 29.762 0.163 0.000 1.445 375 H HN 0.025 nan 8.280 nan 0.000 0.488 376 F N 1.841 121.743 119.950 -0.079 0.000 2.458 376 F HA 0.591 5.118 4.527 -0.000 0.000 0.336 376 F C -0.109 175.518 175.800 -0.289 0.000 1.114 376 F CA -0.467 57.198 58.000 -0.559 0.000 0.987 376 F CB 1.626 40.118 39.000 -0.846 0.000 1.130 376 F HN 0.576 nan 8.300 nan 0.000 0.458 377 G N 2.882 111.145 108.800 -0.894 0.000 2.753 377 G HA2 0.424 4.384 3.960 -0.000 0.000 0.282 377 G HA3 0.424 4.384 3.960 -0.000 0.000 0.282 377 G C -1.640 172.903 174.900 -0.595 0.000 1.512 377 G CA -0.624 44.187 45.100 -0.481 0.000 1.076 377 G HN 0.676 nan 8.290 nan 0.000 0.545 378 S N 1.998 117.402 115.700 -0.494 0.000 2.216 378 S HA 0.569 5.039 4.470 -0.000 0.000 0.156 378 S C 1.191 175.706 174.600 -0.141 0.000 1.665 378 S CA 0.826 58.842 58.200 -0.307 0.000 1.262 378 S CB -0.465 62.583 63.200 -0.253 0.000 1.207 378 S HN 2.276 nan 8.310 nan 0.000 0.427 379 G N 3.394 112.129 108.800 -0.108 0.000 2.950 379 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.299 379 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.299 379 G C 1.078 175.968 174.900 -0.015 0.000 1.310 379 G CA 0.260 45.332 45.100 -0.047 0.000 0.994 379 G HN 1.546 nan 8.290 nan 0.000 0.575 380 A N -0.006 122.820 122.820 0.009 0.000 2.169 380 A HA 0.600 4.920 4.320 -0.000 0.000 0.210 380 A C 1.330 178.934 177.584 0.034 0.000 1.168 380 A CA 1.224 53.273 52.037 0.021 0.000 0.813 380 A CB -0.072 18.946 19.000 0.030 0.000 0.861 380 A HN 0.547 nan 8.150 nan 0.000 0.481 381 M N 0.997 120.630 119.600 0.055 0.000 2.120 381 M HA 0.444 4.924 4.480 -0.000 0.000 0.354 381 M C -1.250 175.129 176.300 0.131 0.000 1.287 381 M CA 0.465 55.830 55.300 0.108 0.000 1.103 381 M CB 0.201 32.917 32.600 0.193 0.000 1.623 381 M HN 0.101 nan 8.290 nan 0.000 0.471 382 L N 4.037 125.332 121.223 0.121 0.000 2.446 382 L HA 0.393 4.733 4.340 -0.000 0.000 0.268 382 L C -0.935 176.025 176.870 0.150 0.000 0.975 382 L CA -0.452 54.461 54.840 0.122 0.000 0.848 382 L CB 1.582 43.663 42.059 0.037 0.000 1.225 382 L HN 0.676 nan 8.230 nan 0.000 0.410 383 H N 1.636 120.733 119.070 0.044 0.000 2.637 383 H HA 0.602 5.158 4.556 -0.000 0.000 0.363 383 H C -1.592 173.687 175.328 -0.082 0.000 1.131 383 H CA -0.446 55.539 56.048 -0.105 0.000 1.183 383 H CB 1.854 31.422 29.762 -0.324 0.000 1.637 383 H HN 0.397 nan 8.280 nan 0.000 0.531 384 D N 2.768 122.781 120.400 -0.646 0.000 2.342 384 D HA 0.416 5.056 4.640 -0.000 0.000 0.243 384 D C -0.812 175.101 176.300 -0.645 0.000 1.019 384 D CA -0.455 53.286 54.000 -0.432 0.000 0.864 384 D CB 2.473 43.218 40.800 -0.093 0.000 1.315 384 D HN 0.250 nan 8.370 nan 0.000 0.468 385 V N 1.776 121.473 119.914 -0.363 0.000 2.380 385 V HA 0.284 4.404 4.120 -0.000 0.000 0.286 385 V C -0.438 175.585 176.094 -0.119 0.000 1.015 385 V CA -0.742 61.423 62.300 -0.225 0.000 0.834 385 V CB 1.739 33.465 31.823 -0.162 0.000 1.009 385 V HN 0.302 nan 8.190 nan 0.000 0.428 386 V N 5.782 125.646 119.914 -0.083 0.000 2.293 386 V HA 0.411 4.531 4.120 -0.000 0.000 0.275 386 V C 0.336 176.411 176.094 -0.031 0.000 1.021 386 V CA -0.466 61.804 62.300 -0.051 0.000 0.815 386 V CB 1.265 33.068 31.823 -0.033 0.000 1.025 386 V HN 0.706 nan 8.190 nan 0.000 0.448 387 M N 2.923 122.512 119.600 -0.018 0.000 2.240 387 M HA 0.448 4.928 4.480 -0.000 0.000 0.333 387 M C 1.196 177.489 176.300 -0.013 0.000 1.110 387 M CA 1.141 56.435 55.300 -0.011 0.000 1.173 387 M CB 0.517 33.121 32.600 0.006 0.000 1.458 387 M HN 0.914 nan 8.290 nan 0.000 0.458 388 G N 1.201 109.987 108.800 -0.023 0.000 2.569 388 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.259 388 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.259 388 G C -0.230 174.658 174.900 -0.020 0.000 1.263 388 G CA -0.122 44.962 45.100 -0.026 0.000 0.928 388 G HN 1.153 nan 8.290 nan 0.000 0.572 389 V N -0.963 118.942 119.914 -0.015 0.000 2.740 389 V HA 0.457 4.577 4.120 -0.000 0.000 0.303 389 V C -0.237 175.852 176.094 -0.009 0.000 1.054 389 V CA -0.029 62.263 62.300 -0.012 0.000 1.106 389 V CB 1.059 32.876 31.823 -0.009 0.000 0.957 389 V HN 0.747 nan 8.190 nan 0.000 0.486 390 P HA -0.034 nan 4.420 nan 0.000 0.230 390 P C 0.882 178.182 177.300 0.000 0.000 1.158 390 P CA 0.857 63.954 63.100 -0.005 0.000 0.769 390 P CB 0.301 31.998 31.700 -0.006 0.000 0.807 391 E N -0.300 119.900 120.200 -0.001 0.000 2.482 391 E HA -0.048 4.302 4.350 -0.000 0.000 0.196 391 E C 1.513 178.117 176.600 0.007 0.000 1.047 391 E CA 0.256 56.657 56.400 0.001 0.000 0.869 391 E CB -0.714 28.983 29.700 -0.005 0.000 0.836 391 E HN 0.196 nan 8.360 nan 0.000 0.520 392 N N 0.148 118.853 118.700 0.008 0.000 2.453 392 N HA -0.073 4.667 4.740 -0.000 0.000 0.183 392 N C 0.280 175.797 175.510 0.011 0.000 1.041 392 N CA 0.202 53.260 53.050 0.013 0.000 0.900 392 N CB 0.008 38.501 38.487 0.009 0.000 0.961 392 N HN 0.080 nan 8.380 nan 0.000 0.443 393 V N 1.965 121.888 119.914 0.015 0.000 2.599 393 V HA 0.024 4.144 4.120 -0.000 0.000 0.300 393 V C 0.126 176.254 176.094 0.056 0.000 1.034 393 V CA 0.088 62.408 62.300 0.033 0.000 1.115 393 V CB -0.015 31.850 31.823 0.071 0.000 0.934 393 V HN 0.021 nan 8.190 nan 0.000 0.485 394 L N 5.451 126.718 121.223 0.072 0.000 2.335 394 L HA 0.563 4.903 4.340 -0.000 0.000 0.268 394 L C -0.068 176.927 176.870 0.207 0.000 1.016 394 L CA -1.081 53.811 54.840 0.087 0.000 0.805 394 L CB 1.229 43.306 42.059 0.029 0.000 1.311 394 L HN 0.441 nan 8.230 nan 0.000 0.456 395 Q N 1.807 121.677 119.800 0.116 0.000 2.352 395 Q HA 0.252 4.592 4.340 -0.000 0.000 0.260 395 Q C -2.247 173.869 176.000 0.192 0.000 0.976 395 Q CA -1.637 54.234 55.803 0.113 0.000 0.881 395 Q CB 0.560 29.320 28.738 0.036 0.000 1.235 395 Q HN 0.234 nan 8.270 nan 0.000 0.419 396 P HA 0.071 nan 4.420 nan 0.000 0.272 396 P C -0.411 177.022 177.300 0.222 0.000 1.240 396 P CA -0.149 63.117 63.100 0.277 0.000 0.791 396 P CB 0.843 32.589 31.700 0.077 0.000 0.978 397 T N -0.332 114.382 114.554 0.268 0.000 2.893 397 T HA 0.197 4.547 4.350 -0.000 0.000 0.291 397 T C -0.781 174.117 174.700 0.330 0.000 1.028 397 T CA -0.513 61.774 62.100 0.312 0.000 0.995 397 T CB 0.416 69.498 68.868 0.357 0.000 1.051 397 T HN 0.365 nan 8.240 nan 0.000 0.470 398 H N 5.375 124.621 119.070 0.294 0.000 2.899 398 H HA 0.219 4.775 4.556 -0.000 0.000 0.303 398 H C -1.602 173.937 175.328 0.353 0.000 1.042 398 H CA -1.600 54.631 56.048 0.305 0.000 1.479 398 H CB 1.773 31.750 29.762 0.359 0.000 1.493 398 H HN 0.419 nan 8.280 nan 0.000 0.534 399 P HA -0.111 nan 4.420 nan 0.000 0.228 399 P C 1.211 178.794 177.300 0.471 0.000 1.151 399 P CA 0.472 63.755 63.100 0.306 0.000 0.770 399 P CB 0.649 32.360 31.700 0.018 0.000 0.786 400 V N -1.903 118.358 119.914 0.579 0.000 2.581 400 V HA -0.062 4.058 4.120 -0.000 0.000 0.240 400 V C 2.033 178.318 176.094 0.320 0.000 1.054 400 V CA 1.404 63.863 62.300 0.265 0.000 1.076 400 V CB -0.955 30.826 31.823 -0.071 0.000 0.748 400 V HN -0.037 nan 8.190 nan 0.000 0.474 401 Y N -0.699 119.918 120.300 0.528 0.000 2.497 401 Y HA 0.293 4.843 4.550 0.000 0.000 0.265 401 Y C 1.346 177.511 175.900 0.442 0.000 1.111 401 Y CA 0.108 58.461 58.100 0.423 0.000 1.288 401 Y CB 0.023 38.542 38.460 0.098 0.000 1.082 401 Y HN 0.334 nan 8.280 nan 0.000 0.536 402 N N 1.265 120.316 118.700 0.586 0.000 2.725 402 N HA -0.205 4.535 4.740 -0.000 0.000 0.251 402 N C -0.798 174.720 175.510 0.014 0.000 1.031 402 N CA 0.967 54.173 53.050 0.259 0.000 0.720 402 N CB -1.410 37.056 38.487 -0.035 0.000 0.930 402 N HN 0.652 nan 8.380 nan 0.000 0.543 403 I N -4.312 116.418 120.570 0.268 0.000 3.145 403 I HA 0.754 4.924 4.170 -0.000 0.000 0.313 403 I C 1.052 177.379 176.117 0.348 0.000 1.122 403 I CA -1.021 60.460 61.300 0.302 0.000 0.987 403 I CB 1.465 39.587 38.000 0.203 0.000 1.236 403 I HN 0.003 nan 8.210 nan 0.000 0.453 404 G N 2.247 111.218 108.800 0.285 0.000 2.265 404 G HA2 0.234 4.194 3.960 -0.000 0.000 0.240 404 G HA3 0.234 4.194 3.960 -0.000 0.000 0.240 404 G C -1.907 173.124 174.900 0.218 0.000 1.270 404 G CA -0.622 44.607 45.100 0.215 0.000 0.901 404 G HN 0.613 nan 8.290 nan 0.000 0.507 405 P HA -0.134 nan 4.420 nan 0.000 0.217 405 P C 1.538 178.951 177.300 0.188 0.000 1.148 405 P CA 1.566 64.836 63.100 0.282 0.000 0.828 405 P CB 0.188 32.009 31.700 0.201 0.000 0.783 406 D N -0.642 119.833 120.400 0.126 0.000 2.183 406 D HA -0.137 4.503 4.640 -0.000 0.000 0.203 406 D C 1.364 177.711 176.300 0.079 0.000 0.969 406 D CA 0.951 55.003 54.000 0.088 0.000 0.842 406 D CB -0.399 40.438 40.800 0.063 0.000 0.957 406 D HN 0.152 nan 8.370 nan 0.000 0.484 407 K N 0.926 121.377 120.400 0.084 0.000 2.167 407 K HA 0.020 4.340 4.320 -0.000 0.000 0.203 407 K C 2.474 179.096 176.600 0.035 0.000 1.052 407 K CA 0.248 56.577 56.287 0.070 0.000 0.956 407 K CB -0.225 32.319 32.500 0.072 0.000 0.735 407 K HN 0.161 nan 8.250 nan 0.000 0.451 408 V N 1.972 121.887 119.914 0.001 0.000 2.307 408 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 408 V C 2.372 178.429 176.094 -0.062 0.000 1.045 408 V CA 1.459 63.676 62.300 -0.139 0.000 1.024 408 V CB -0.454 31.243 31.823 -0.209 0.000 0.651 408 V HN 0.146 nan 8.190 nan 0.000 0.449 409 I N -0.295 120.292 120.570 0.028 0.000 2.179 409 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 409 I C 2.684 178.820 176.117 0.032 0.000 1.088 409 I CA 1.829 63.154 61.300 0.042 0.000 1.357 409 I CB -0.456 37.584 38.000 0.068 0.000 1.051 409 I HN 0.353 nan 8.210 nan 0.000 0.409 410 Q N 0.886 120.716 119.800 0.050 0.000 2.096 410 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 410 Q C 2.336 178.362 176.000 0.043 0.000 0.982 410 Q CA 2.077 57.920 55.803 0.068 0.000 0.850 410 Q CB -0.085 28.717 28.738 0.107 0.000 0.901 410 Q HN 0.579 nan 8.270 nan 0.000 0.422 411 A N 0.179 123.030 122.820 0.052 0.000 1.872 411 A HA -0.173 4.147 4.320 -0.000 0.000 0.214 411 A C 2.257 179.859 177.584 0.030 0.000 1.187 411 A CA 1.971 54.000 52.037 -0.013 0.000 0.614 411 A CB -1.147 17.939 19.000 0.143 0.000 0.826 411 A HN 0.649 nan 8.150 nan 0.000 0.442 412 T N -2.670 111.897 114.554 0.021 0.000 2.746 412 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 412 T C 1.826 176.538 174.700 0.020 0.000 1.039 412 T CA 2.148 64.270 62.100 0.036 0.000 1.142 412 T CB -1.221 67.644 68.868 -0.004 0.000 0.866 412 T HN 0.317 nan 8.240 nan 0.000 0.444 413 T N 0.945 115.494 114.554 -0.007 0.000 2.720 413 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 413 T C 1.726 176.377 174.700 -0.082 0.000 1.037 413 T CA 1.884 63.968 62.100 -0.026 0.000 1.144 413 T CB -0.609 68.254 68.868 -0.009 0.000 0.864 413 T HN 0.797 nan 8.240 nan 0.000 0.444 414 H N 0.191 119.098 119.070 -0.272 0.000 2.321 414 H HA -0.004 4.552 4.556 -0.000 0.000 0.300 414 H C 1.699 176.746 175.328 -0.467 0.000 1.087 414 H CA 1.613 57.378 56.048 -0.472 0.000 1.319 414 H CB -0.493 28.707 29.762 -0.936 0.000 1.379 414 H HN 0.418 nan 8.280 nan 0.000 0.501 415 F N -0.250 119.541 119.950 -0.265 0.000 2.558 415 F HA 0.038 4.565 4.527 0.000 0.000 0.298 415 F C 2.007 177.692 175.800 -0.193 0.000 1.119 415 F CA 0.201 58.056 58.000 -0.242 0.000 1.451 415 F CB 0.103 39.030 39.000 -0.122 0.000 1.091 415 F HN 0.153 nan 8.300 nan 0.000 0.563 416 L N -0.450 120.761 121.223 -0.020 0.000 2.376 416 L HA -0.153 4.187 4.340 -0.000 0.000 0.219 416 L C 1.992 178.810 176.870 -0.087 0.000 1.133 416 L CA 0.911 55.730 54.840 -0.034 0.000 0.816 416 L CB -0.405 41.641 42.059 -0.023 0.000 0.933 416 L HN 0.203 nan 8.230 nan 0.000 0.449 417 Q N -0.392 119.313 119.800 -0.159 0.000 2.378 417 Q HA -0.023 4.317 4.340 -0.000 0.000 0.205 417 Q C 0.149 176.050 176.000 -0.165 0.000 0.954 417 Q CA 0.569 56.269 55.803 -0.172 0.000 0.901 417 Q CB 0.325 28.926 28.738 -0.229 0.000 0.981 417 Q HN 0.243 nan 8.270 nan 0.000 0.483 418 K N 1.763 122.071 120.400 -0.153 0.000 2.144 418 K HA 0.305 4.625 4.320 -0.000 0.000 0.270 418 K C -2.379 174.167 176.600 -0.091 0.000 1.005 418 K CA -1.977 54.249 56.287 -0.102 0.000 0.932 418 K CB 0.482 32.965 32.500 -0.027 0.000 1.021 418 K HN -0.070 nan 8.250 nan 0.000 0.462 419 P HA 0.123 nan 4.420 nan 0.000 0.282 419 P C -0.224 177.026 177.300 -0.084 0.000 1.249 419 P CA -0.569 62.431 63.100 -0.167 0.000 0.806 419 P CB 0.631 32.121 31.700 -0.350 0.000 0.984 420 V N 4.852 124.731 119.914 -0.060 0.000 2.452 420 V HA -0.014 4.106 4.120 -0.000 0.000 0.286 420 V C -1.763 174.341 176.094 0.018 0.000 0.995 420 V CA -0.690 61.606 62.300 -0.007 0.000 1.116 420 V CB -0.923 30.907 31.823 0.012 0.000 0.954 420 V HN 0.563 nan 8.190 nan 0.000 0.473 421 P HA 0.058 nan 4.420 nan 0.000 0.252 421 P C 0.814 178.173 177.300 0.097 0.000 1.147 421 P CA 1.673 64.814 63.100 0.068 0.000 0.779 421 P CB -0.071 31.669 31.700 0.066 0.000 0.733 422 G N 2.421 111.307 108.800 0.143 0.000 2.151 422 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.156 422 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.156 422 G C 0.209 175.266 174.900 0.263 0.000 1.017 422 G CA -0.581 44.619 45.100 0.165 0.000 0.686 422 G HN 0.478 nan 8.290 nan 0.000 0.503 423 F N 0.000 119.959 119.950 0.015 0.000 2.286 423 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 423 F CA 0.000 58.008 58.000 0.013 0.000 1.383 423 F CB 0.000 39.005 39.000 0.008 0.000 1.145 423 F HN 0.000 nan 8.300 nan 0.000 0.574