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 3e32_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 0.000 177.108 177.300 -0.321 0.000 1.155 17 P CA 0.000 62.906 63.100 -0.323 0.000 0.800 17 P CB 0.000 31.269 31.700 -0.718 0.000 0.726 18 V N 0.843 120.678 119.914 -0.132 0.000 2.591 18 V HA -0.039 4.081 4.120 -0.000 0.000 0.249 18 V C 1.235 177.320 176.094 -0.015 0.000 1.053 18 V CA 1.642 63.919 62.300 -0.039 0.000 1.068 18 V CB -0.441 31.419 31.823 0.063 0.000 0.689 18 V HN 0.669 nan 8.190 nan 0.000 0.462 19 W N -0.287 121.005 121.300 -0.013 0.000 2.800 19 W HA 0.278 4.938 4.660 -0.000 0.000 0.249 19 W C 0.566 177.073 176.519 -0.021 0.000 1.294 19 W CA 0.078 57.414 57.345 -0.015 0.000 1.402 19 W CB -1.240 28.213 29.460 -0.011 0.000 1.126 19 W HN 0.289 nan 8.180 nan 0.000 0.652 20 S N 2.387 117.722 115.700 -0.609 0.000 2.448 20 S HA 0.109 4.579 4.470 -0.000 0.000 0.279 20 S C -0.181 174.265 174.600 -0.255 0.000 1.195 20 S CA -0.103 57.753 58.200 -0.572 0.000 1.051 20 S CB 1.052 63.799 63.200 -0.754 0.000 0.948 20 S HN 0.110 nan 8.310 nan 0.000 0.493 21 E N 5.174 125.283 120.200 -0.153 0.000 2.217 21 E HA 0.171 4.521 4.350 -0.000 0.000 0.279 21 E C -1.459 175.061 176.600 -0.133 0.000 1.068 21 E CA -1.883 54.443 56.400 -0.123 0.000 0.882 21 E CB 0.680 30.320 29.700 -0.100 0.000 1.039 21 E HN 0.232 nan 8.360 nan 0.000 0.418 22 P HA -0.048 nan 4.420 nan 0.000 0.229 22 P C -0.167 177.079 177.300 -0.090 0.000 1.160 22 P CA 0.600 63.636 63.100 -0.107 0.000 0.777 22 P CB 0.317 31.954 31.700 -0.104 0.000 0.814 23 L N -0.331 120.818 121.223 -0.125 0.000 2.264 23 L HA 0.232 4.572 4.340 -0.000 0.000 0.289 23 L C 1.772 178.546 176.870 -0.161 0.000 1.044 23 L CA -0.861 53.894 54.840 -0.140 0.000 0.807 23 L CB 0.875 42.810 42.059 -0.207 0.000 1.192 23 L HN -0.179 nan 8.230 nan 0.000 0.425 24 Y N 2.357 122.510 120.300 -0.245 0.000 2.224 24 Y HA -0.250 4.300 4.550 -0.000 0.000 0.289 24 Y C 2.285 177.877 175.900 -0.513 0.000 1.146 24 Y CA 1.911 59.851 58.100 -0.267 0.000 1.182 24 Y CB 0.367 38.710 38.460 -0.195 0.000 0.983 24 Y HN 0.658 nan 8.280 nan 0.000 0.524 25 S N 0.041 115.320 115.700 -0.702 0.000 2.489 25 S HA -0.001 4.469 4.470 -0.000 0.000 0.228 25 S C 1.582 175.402 174.600 -1.300 0.000 0.995 25 S CA 1.005 58.296 58.200 -1.515 0.000 0.934 25 S CB -0.149 61.928 63.200 -1.872 0.000 0.771 25 S HN 0.454 nan 8.310 nan 0.000 0.522 26 L N 0.350 121.145 121.223 -0.714 0.000 2.616 26 L HA 0.244 4.584 4.340 -0.000 0.000 0.229 26 L C 0.648 177.368 176.870 -0.250 0.000 1.110 26 L CA -0.021 54.573 54.840 -0.410 0.000 0.884 26 L CB -0.069 41.818 42.059 -0.286 0.000 1.115 26 L HN 0.066 nan 8.230 nan 0.000 0.481 27 R N 0.959 121.295 120.500 -0.274 0.000 2.694 27 R HA 0.058 4.398 4.340 -0.000 0.000 0.268 27 R C -1.384 174.879 176.300 -0.061 0.000 1.061 27 R CA -1.305 54.708 56.100 -0.145 0.000 1.133 27 R CB 0.156 30.357 30.300 -0.165 0.000 1.020 27 R HN -0.182 nan 8.270 nan 0.000 0.475 28 P HA -0.138 nan 4.420 nan 0.000 0.218 28 P C 0.181 177.500 177.300 0.031 0.000 1.149 28 P CA 1.163 64.278 63.100 0.026 0.000 0.817 28 P CB 0.286 32.009 31.700 0.038 0.000 0.785 29 E N -1.693 118.513 120.200 0.011 0.000 2.153 29 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 29 E C 1.892 178.489 176.600 -0.005 0.000 0.988 29 E CA 0.981 57.382 56.400 0.001 0.000 0.811 29 E CB -1.205 28.487 29.700 -0.014 0.000 0.746 29 E HN 0.417 nan 8.360 nan 0.000 0.466 30 H N 0.473 119.464 119.070 -0.131 0.000 2.426 30 H HA -0.068 4.488 4.556 0.000 0.000 0.298 30 H C 1.858 177.222 175.328 0.059 0.000 1.107 30 H CA 1.546 57.510 56.048 -0.139 0.000 1.298 30 H CB -0.157 29.438 29.762 -0.279 0.000 1.377 30 H HN 0.220 nan 8.280 nan 0.000 0.519 31 A N 0.695 123.587 122.820 0.121 0.000 2.024 31 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 31 A C 2.258 179.866 177.584 0.039 0.000 1.164 31 A CA 1.406 53.522 52.037 0.131 0.000 0.643 31 A CB -0.338 18.726 19.000 0.106 0.000 0.806 31 A HN 0.491 nan 8.150 nan 0.000 0.451 32 R N -0.196 120.303 120.500 -0.000 0.000 2.280 32 R HA -0.025 4.315 4.340 -0.000 0.000 0.207 32 R C 0.655 176.931 176.300 -0.040 0.000 1.043 32 R CA 0.783 56.871 56.100 -0.020 0.000 1.006 32 R CB -0.072 30.219 30.300 -0.015 0.000 0.885 32 R HN 0.464 nan 8.270 nan 0.000 0.467 33 E N 0.815 120.976 120.200 -0.065 0.000 2.502 33 E HA 0.017 4.367 4.350 -0.000 0.000 0.194 33 E C 0.356 176.943 176.600 -0.022 0.000 1.062 33 E CA 0.189 56.557 56.400 -0.054 0.000 0.867 33 E CB 0.105 29.701 29.700 -0.173 0.000 0.888 33 E HN 0.117 nan 8.360 nan 0.000 0.510 34 R N 0.811 121.246 120.500 -0.108 0.000 2.738 34 R HA 0.077 4.417 4.340 -0.000 0.000 0.268 34 R C 0.549 176.752 176.300 -0.162 0.000 1.062 34 R CA -0.632 55.301 56.100 -0.278 0.000 1.158 34 R CB 0.128 30.251 30.300 -0.295 0.000 1.046 34 R HN 0.054 nan 8.270 nan 0.000 0.493 35 L N 1.921 123.038 121.223 -0.177 0.000 2.499 35 L HA -0.042 4.298 4.340 -0.000 0.000 0.273 35 L C -0.137 176.687 176.870 -0.076 0.000 1.195 35 L CA 1.026 55.804 54.840 -0.102 0.000 0.882 35 L CB 0.269 42.271 42.059 -0.095 0.000 1.133 35 L HN 0.387 nan 8.230 nan 0.000 0.483 36 Q N 3.607 123.377 119.800 -0.050 0.000 2.372 36 Q HA 0.190 4.530 4.340 -0.000 0.000 0.259 36 Q C -0.243 175.741 176.000 -0.027 0.000 0.993 36 Q CA -0.325 55.457 55.803 -0.036 0.000 0.854 36 Q CB 1.070 29.793 28.738 -0.026 0.000 1.231 36 Q HN 0.723 nan 8.270 nan 0.000 0.462 37 D N 1.906 122.290 120.400 -0.026 0.000 2.340 37 D HA -0.057 4.583 4.640 -0.000 0.000 0.217 37 D C -0.420 175.873 176.300 -0.012 0.000 1.081 37 D CA -0.109 53.880 54.000 -0.019 0.000 0.842 37 D CB 0.290 41.078 40.800 -0.021 0.000 0.934 37 D HN 0.429 nan 8.370 nan 0.000 0.511 38 D N 0.147 120.540 120.400 -0.012 0.000 2.955 38 D HA -0.240 4.400 4.640 -0.000 0.000 0.226 38 D C -0.002 176.293 176.300 -0.007 0.000 1.178 38 D CA 1.151 55.147 54.000 -0.008 0.000 0.808 38 D CB -1.770 39.028 40.800 -0.004 0.000 1.099 38 D HN 0.268 nan 8.370 nan 0.000 0.421 39 S N -2.892 112.802 115.700 -0.009 0.000 3.270 39 S HA -0.238 4.232 4.470 -0.000 0.000 0.293 39 S C 0.328 174.925 174.600 -0.005 0.000 1.278 39 S CA 0.991 59.186 58.200 -0.008 0.000 1.038 39 S CB -0.759 62.437 63.200 -0.006 0.000 1.218 39 S HN 0.376 nan 8.310 nan 0.000 0.659 40 V N 1.991 121.902 119.914 -0.005 0.000 2.313 40 V HA 0.328 4.448 4.120 -0.000 0.000 0.278 40 V C 0.332 176.425 176.094 -0.003 0.000 1.017 40 V CA -0.473 61.826 62.300 -0.002 0.000 0.823 40 V CB 1.461 33.284 31.823 -0.000 0.000 1.010 40 V HN 0.291 nan 8.190 nan 0.000 0.443 41 E N 3.339 123.537 120.200 -0.002 0.000 2.197 41 E HA 0.608 4.958 4.350 -0.000 0.000 0.281 41 E C -0.018 176.583 176.600 0.001 0.000 0.995 41 E CA -0.320 56.078 56.400 -0.003 0.000 0.808 41 E CB 1.964 31.661 29.700 -0.004 0.000 1.093 41 E HN 0.831 nan 8.360 nan 0.000 0.394 42 T N -2.090 112.466 114.554 0.003 0.000 2.838 42 T HA 0.211 4.561 4.350 -0.000 0.000 0.292 42 T C 1.053 175.758 174.700 0.007 0.000 1.113 42 T CA -0.803 61.301 62.100 0.007 0.000 1.008 42 T CB 0.952 69.826 68.868 0.010 0.000 1.259 42 T HN 0.098 nan 8.240 nan 0.000 0.520 43 V N 1.099 121.020 119.914 0.011 0.000 2.380 43 V HA -0.204 3.916 4.120 -0.000 0.000 0.251 43 V C 2.903 179.005 176.094 0.014 0.000 1.063 43 V CA 2.757 65.064 62.300 0.013 0.000 1.055 43 V CB -1.438 30.395 31.823 0.017 0.000 0.657 43 V HN 1.099 nan 8.190 nan 0.000 0.455 44 T N 0.309 114.872 114.554 0.016 0.000 2.708 44 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 44 T C 2.127 176.832 174.700 0.008 0.000 1.037 44 T CA 1.992 64.102 62.100 0.017 0.000 1.146 44 T CB -0.364 68.517 68.868 0.021 0.000 0.865 44 T HN 0.756 nan 8.240 nan 0.000 0.435 45 S N 1.461 117.162 115.700 0.003 0.000 2.368 45 S HA -0.007 4.463 4.470 -0.000 0.000 0.224 45 S C 2.128 176.722 174.600 -0.010 0.000 1.029 45 S CA 0.678 58.874 58.200 -0.006 0.000 0.988 45 S CB -0.818 62.377 63.200 -0.009 0.000 0.838 45 S HN 0.479 nan 8.310 nan 0.000 0.462 46 I N 1.836 122.403 120.570 -0.005 0.000 2.163 46 I HA -0.166 4.003 4.170 -0.000 0.000 0.243 46 I C 2.919 179.033 176.117 -0.005 0.000 1.085 46 I CA 1.635 62.932 61.300 -0.006 0.000 1.347 46 I CB -0.406 37.593 38.000 -0.002 0.000 1.044 46 I HN 0.296 nan 8.210 nan 0.000 0.408 47 E N 0.267 120.468 120.200 0.002 0.000 2.106 47 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 47 E C 2.007 178.610 176.600 0.006 0.000 0.984 47 E CA 1.079 57.484 56.400 0.007 0.000 0.806 47 E CB -0.302 29.408 29.700 0.016 0.000 0.750 47 E HN 0.431 nan 8.360 nan 0.000 0.458 48 Q N 0.912 120.713 119.800 0.001 0.000 2.124 48 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 48 Q C 1.915 177.901 176.000 -0.022 0.000 0.977 48 Q CA 1.906 57.707 55.803 -0.004 0.000 0.850 48 Q CB -0.382 28.350 28.738 -0.010 0.000 0.901 48 Q HN 0.189 nan 8.270 nan 0.000 0.429 49 A N 0.398 123.198 122.820 -0.033 0.000 1.930 49 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 49 A C 1.986 179.546 177.584 -0.041 0.000 1.175 49 A CA 1.555 53.560 52.037 -0.054 0.000 0.627 49 A CB -0.424 18.547 19.000 -0.049 0.000 0.815 49 A HN 0.404 nan 8.150 nan 0.000 0.443 50 K N -0.438 119.951 120.400 -0.019 0.000 2.032 50 K HA -0.116 4.204 4.320 -0.000 0.000 0.209 50 K C 1.880 178.480 176.600 -0.000 0.000 1.048 50 K CA 1.595 57.876 56.287 -0.009 0.000 0.927 50 K CB -0.417 32.081 32.500 -0.002 0.000 0.712 50 K HN 0.297 nan 8.250 nan 0.000 0.441 51 V N 1.789 121.709 119.914 0.011 0.000 2.295 51 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 51 V C 2.006 178.131 176.094 0.051 0.000 1.049 51 V CA 1.780 64.102 62.300 0.036 0.000 1.024 51 V CB -0.409 31.445 31.823 0.052 0.000 0.648 51 V HN 0.344 nan 8.190 nan 0.000 0.447 52 E N -0.406 119.805 120.200 0.018 0.000 2.110 52 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 52 E C 2.279 178.874 176.600 -0.008 0.000 0.988 52 E CA 1.219 57.611 56.400 -0.013 0.000 0.804 52 E CB -0.112 29.420 29.700 -0.279 0.000 0.745 52 E HN 0.639 nan 8.360 nan 0.000 0.458 53 E N 1.075 121.258 120.200 -0.028 0.000 2.072 53 E HA -0.230 4.120 4.350 -0.000 0.000 0.191 53 E C 2.012 178.631 176.600 0.031 0.000 0.985 53 E CA 1.044 57.442 56.400 -0.002 0.000 0.801 53 E CB 0.123 29.817 29.700 -0.011 0.000 0.750 53 E HN -0.082 nan 8.360 nan 0.000 0.452 54 K N 0.671 121.084 120.400 0.021 0.000 2.097 54 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 54 K C 1.927 178.516 176.600 -0.019 0.000 1.050 54 K CA 0.932 57.223 56.287 0.006 0.000 0.938 54 K CB -0.148 32.353 32.500 0.002 0.000 0.718 54 K HN 0.127 nan 8.250 nan 0.000 0.442 55 I N 0.863 121.433 120.570 0.001 0.000 2.439 55 I HA -0.149 4.021 4.170 -0.000 0.000 0.251 55 I C 2.195 178.148 176.117 -0.273 0.000 1.139 55 I CA 1.112 62.318 61.300 -0.156 0.000 1.438 55 I CB -1.155 36.827 38.000 -0.030 0.000 1.085 55 I HN 0.330 nan 8.210 nan 0.000 0.427 56 Q N 1.699 121.567 119.800 0.113 0.000 2.124 56 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 56 Q C 2.006 178.086 176.000 0.134 0.000 0.977 56 Q CA 1.727 57.691 55.803 0.269 0.000 0.850 56 Q CB -0.115 28.822 28.738 0.332 0.000 0.901 56 Q HN 0.506 nan 8.270 nan 0.000 0.429 57 E N -0.879 119.364 120.200 0.073 0.000 2.077 57 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 57 E C 1.991 178.595 176.600 0.007 0.000 0.989 57 E CA 1.474 57.920 56.400 0.077 0.000 0.800 57 E CB -0.065 29.668 29.700 0.054 0.000 0.746 57 E HN 0.211 nan 8.360 nan 0.000 0.452 58 V N 0.966 120.829 119.914 -0.086 0.000 2.332 58 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 58 V C 2.015 178.127 176.094 0.031 0.000 1.055 58 V CA 1.791 64.024 62.300 -0.112 0.000 1.038 58 V CB -0.619 31.081 31.823 -0.206 0.000 0.651 58 V HN 0.272 nan 8.190 nan 0.000 0.450 59 F N 0.137 120.113 119.950 0.042 0.000 2.146 59 F HA -0.153 4.374 4.527 0.000 0.000 0.298 59 F C 2.556 178.368 175.800 0.019 0.000 1.096 59 F CA 1.214 59.240 58.000 0.043 0.000 1.275 59 F CB -0.222 38.767 39.000 -0.019 0.000 1.008 59 F HN 0.100 nan 8.300 nan 0.000 0.480 60 S N -0.441 115.323 115.700 0.107 0.000 2.527 60 S HA -0.104 4.366 4.470 -0.000 0.000 0.222 60 S C 2.047 176.444 174.600 -0.339 0.000 0.985 60 S CA 0.761 58.830 58.200 -0.219 0.000 0.921 60 S CB -0.270 62.697 63.200 -0.388 0.000 0.772 60 S HN 0.424 nan 8.310 nan 0.000 0.529 61 S N 1.103 116.713 115.700 -0.151 0.000 2.383 61 S HA -0.203 4.267 4.470 -0.000 0.000 0.229 61 S C 1.568 176.020 174.600 -0.246 0.000 1.030 61 S CA 1.076 59.163 58.200 -0.188 0.000 1.002 61 S CB -0.816 62.209 63.200 -0.291 0.000 0.829 61 S HN 0.597 nan 8.310 nan 0.000 0.467 62 Y N 2.296 122.543 120.300 -0.088 0.000 2.200 62 Y HA 0.020 4.570 4.550 0.000 0.000 0.290 62 Y C 2.709 178.537 175.900 -0.121 0.000 1.137 62 Y CA 1.400 59.454 58.100 -0.076 0.000 1.163 62 Y CB -0.373 38.053 38.460 -0.056 0.000 0.988 62 Y HN 0.290 nan 8.280 nan 0.000 0.518 63 K N 0.438 120.805 120.400 -0.055 0.000 2.026 63 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 63 K C 1.784 178.258 176.600 -0.211 0.000 1.048 63 K CA 1.765 57.961 56.287 -0.151 0.000 0.929 63 K CB -0.583 31.747 32.500 -0.283 0.000 0.713 63 K HN 0.335 nan 8.250 nan 0.000 0.439 64 F N 1.139 120.984 119.950 -0.175 0.000 2.293 64 F HA -0.081 4.446 4.527 0.000 0.000 0.300 64 F C 1.852 177.335 175.800 -0.528 0.000 1.086 64 F CA 0.138 57.959 58.000 -0.298 0.000 1.375 64 F CB -0.008 38.907 39.000 -0.142 0.000 1.045 64 F HN 0.135 nan 8.300 nan 0.000 0.516 65 N N -1.088 117.497 118.700 -0.192 0.000 2.412 65 N HA -0.067 4.673 4.740 -0.000 0.000 0.184 65 N C -0.350 175.107 175.510 -0.088 0.000 1.101 65 N CA 0.509 53.473 53.050 -0.144 0.000 0.881 65 N CB -0.331 38.126 38.487 -0.050 0.000 0.969 65 N HN 0.264 nan 8.380 nan 0.000 0.459 66 H N -0.512 118.617 119.070 0.098 0.000 2.827 66 H HA -0.134 4.422 4.556 -0.000 0.000 0.330 66 H C -0.555 174.818 175.328 0.075 0.000 1.236 66 H CA 0.540 56.636 56.048 0.081 0.000 1.165 66 H CB -2.158 27.645 29.762 0.070 0.000 1.532 66 H HN 0.210 nan 8.280 nan 0.000 0.434 67 L N -0.502 120.814 121.223 0.154 0.000 2.371 67 L HA 0.549 4.889 4.340 -0.000 0.000 0.262 67 L C 0.445 177.395 176.870 0.135 0.000 1.006 67 L CA -1.263 53.664 54.840 0.145 0.000 0.818 67 L CB 2.616 44.769 42.059 0.158 0.000 1.354 67 L HN 0.070 nan 8.230 nan 0.000 0.415 68 V N 2.292 122.252 119.914 0.077 0.000 2.461 68 V HA 0.420 4.540 4.120 -0.000 0.000 0.275 68 V C -2.098 173.960 176.094 -0.059 0.000 1.047 68 V CA -1.331 60.971 62.300 0.003 0.000 0.955 68 V CB 0.891 32.705 31.823 -0.014 0.000 0.988 68 V HN 0.584 nan 8.190 nan 0.000 0.471 69 P HA 0.280 nan 4.420 nan 0.000 0.266 69 P C -1.182 175.936 177.300 -0.304 0.000 1.195 69 P CA 0.122 62.823 63.100 -0.665 0.000 0.768 69 P CB 0.166 31.287 31.700 -0.965 0.000 0.838 70 R N 2.211 122.595 120.500 -0.194 0.000 2.514 70 R HA 0.496 4.836 4.340 -0.000 0.000 0.296 70 R C -1.292 174.986 176.300 -0.037 0.000 1.012 70 R CA -0.743 55.309 56.100 -0.080 0.000 0.897 70 R CB 0.754 31.044 30.300 -0.017 0.000 1.184 70 R HN 0.258 nan 8.270 nan 0.000 0.440 71 L N 4.023 125.219 121.223 -0.046 0.000 2.270 71 L HA 0.432 4.772 4.340 -0.000 0.000 0.286 71 L C -0.642 176.232 176.870 0.006 0.000 1.059 71 L CA -1.061 53.774 54.840 -0.009 0.000 0.839 71 L CB 1.385 43.432 42.059 -0.021 0.000 1.221 71 L HN 0.428 nan 8.230 nan 0.000 0.431 72 V N 4.240 124.168 119.914 0.022 0.000 2.448 72 V HA 0.276 4.396 4.120 -0.000 0.000 0.295 72 V C -0.027 176.088 176.094 0.035 0.000 1.025 72 V CA -0.680 61.632 62.300 0.020 0.000 0.859 72 V CB 2.382 34.212 31.823 0.012 0.000 0.988 72 V HN 0.454 nan 8.190 nan 0.000 0.431 73 L N 5.266 126.515 121.223 0.044 0.000 2.369 73 L HA 0.330 4.670 4.340 -0.000 0.000 0.279 73 L C 0.805 177.711 176.870 0.059 0.000 1.108 73 L CA 0.445 55.337 54.840 0.086 0.000 0.852 73 L CB 0.794 42.909 42.059 0.093 0.000 1.169 73 L HN 0.617 nan 8.230 nan 0.000 0.452 74 Q N 5.582 125.383 119.800 0.002 0.000 3.151 74 Q HA 0.039 4.379 4.340 -0.000 0.000 0.277 74 Q C 1.105 176.972 176.000 -0.223 0.000 1.343 74 Q CA 0.177 55.867 55.803 -0.188 0.000 0.925 74 Q CB -0.304 28.220 28.738 -0.357 0.000 1.771 74 Q HN 0.718 nan 8.270 nan 0.000 0.514 75 R N 0.548 121.050 120.500 0.003 0.000 2.112 75 R HA -0.259 4.081 4.340 -0.000 0.000 0.242 75 R C 1.874 178.231 176.300 0.094 0.000 1.137 75 R CA 1.890 58.043 56.100 0.088 0.000 0.944 75 R CB -0.029 30.300 30.300 0.049 0.000 0.857 75 R HN 0.338 nan 8.270 nan 0.000 0.435 76 E N 0.858 121.084 120.200 0.043 0.000 2.058 76 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 76 E C 1.788 178.480 176.600 0.153 0.000 0.997 76 E CA 1.485 57.950 56.400 0.110 0.000 0.801 76 E CB 0.104 29.834 29.700 0.049 0.000 0.746 76 E HN 0.030 nan 8.360 nan 0.000 0.450 77 K N -0.081 120.318 120.400 -0.001 0.000 2.032 77 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 77 K C 2.172 178.833 176.600 0.101 0.000 1.048 77 K CA 1.578 57.852 56.287 -0.021 0.000 0.927 77 K CB -0.696 31.690 32.500 -0.190 0.000 0.712 77 K HN 0.417 nan 8.250 nan 0.000 0.441 78 H N -0.603 118.573 119.070 0.176 0.000 2.387 78 H HA -0.113 4.443 4.556 -0.000 0.000 0.299 78 H C 1.997 177.496 175.328 0.286 0.000 1.090 78 H CA 1.051 57.228 56.048 0.214 0.000 1.332 78 H CB -0.599 29.255 29.762 0.153 0.000 1.386 78 H HN 0.163 nan 8.280 nan 0.000 0.516 79 F N 1.620 121.709 119.950 0.232 0.000 2.102 79 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 79 F C 2.847 178.745 175.800 0.164 0.000 1.105 79 F CA 1.745 59.841 58.000 0.159 0.000 1.239 79 F CB -0.520 38.543 39.000 0.106 0.000 0.991 79 F HN 0.223 nan 8.300 nan 0.000 0.474 80 H N -1.141 117.921 119.070 -0.015 0.000 2.321 80 H HA -0.269 4.287 4.556 -0.000 0.000 0.300 80 H C 2.240 177.551 175.328 -0.028 0.000 1.087 80 H CA 2.219 58.196 56.048 -0.118 0.000 1.319 80 H CB -1.027 28.752 29.762 0.030 0.000 1.379 80 H HN 0.430 nan 8.280 nan 0.000 0.501 81 Y N 1.468 121.746 120.300 -0.037 0.000 2.114 81 Y HA -0.238 4.312 4.550 -0.000 0.000 0.282 81 Y C 2.605 178.533 175.900 0.047 0.000 1.165 81 Y CA 1.886 59.983 58.100 -0.004 0.000 1.148 81 Y CB -0.682 37.844 38.460 0.110 0.000 0.972 81 Y HN 0.154 nan 8.280 nan 0.000 0.504 82 L N 0.149 121.353 121.223 -0.031 0.000 2.023 82 L HA -0.190 4.150 4.340 -0.000 0.000 0.205 82 L C 2.624 179.314 176.870 -0.300 0.000 1.073 82 L CA 1.826 56.588 54.840 -0.130 0.000 0.745 82 L CB -0.785 41.268 42.059 -0.010 0.000 0.900 82 L HN 0.082 nan 8.230 nan 0.000 0.435 83 K N 0.571 120.720 120.400 -0.419 0.000 2.077 83 K HA -0.304 4.016 4.320 -0.000 0.000 0.213 83 K C 2.363 178.741 176.600 -0.370 0.000 1.051 83 K CA 2.029 58.030 56.287 -0.477 0.000 0.929 83 K CB -0.127 31.908 32.500 -0.774 0.000 0.715 83 K HN 0.133 nan 8.250 nan 0.000 0.451 84 R N -0.360 119.903 120.500 -0.395 0.000 2.062 84 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 84 R C 2.428 178.550 176.300 -0.297 0.000 1.136 84 R CA 1.641 57.550 56.100 -0.319 0.000 0.948 84 R CB -0.704 29.390 30.300 -0.344 0.000 0.845 84 R HN 0.407 nan 8.270 nan 0.000 0.430 85 G N 1.539 110.131 108.800 -0.345 0.000 2.469 85 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.220 85 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.220 85 G C 1.278 175.851 174.900 -0.545 0.000 1.136 85 G CA 0.804 45.592 45.100 -0.520 0.000 0.759 85 G HN 0.335 nan 8.290 nan 0.000 0.562 86 L N -0.323 120.629 121.223 -0.452 0.000 2.349 86 L HA 0.127 4.467 4.340 -0.000 0.000 0.220 86 L C 2.417 179.105 176.870 -0.303 0.000 1.130 86 L CA 1.643 56.266 54.840 -0.362 0.000 0.791 86 L CB -0.179 41.715 42.059 -0.275 0.000 0.918 86 L HN 0.164 nan 8.230 nan 0.000 0.444 87 R N -1.452 118.880 120.500 -0.280 0.000 2.225 87 R HA 0.303 4.643 4.340 -0.000 0.000 0.194 87 R C 0.136 176.304 176.300 -0.220 0.000 0.949 87 R CA 0.307 56.270 56.100 -0.228 0.000 1.088 87 R CB 0.365 30.558 30.300 -0.178 0.000 1.106 87 R HN 0.446 nan 8.270 nan 0.000 0.566 88 Q N -0.142 119.527 119.800 -0.219 0.000 2.320 88 Q HA 0.483 4.823 4.340 -0.000 0.000 0.272 88 Q C -1.858 174.047 176.000 -0.158 0.000 1.023 88 Q CA -0.610 55.094 55.803 -0.165 0.000 0.855 88 Q CB 1.737 30.408 28.738 -0.112 0.000 1.367 88 Q HN 0.055 nan 8.270 nan 0.000 0.406 89 L N 1.603 122.756 121.223 -0.117 0.000 2.388 89 L HA 0.601 4.941 4.340 -0.000 0.000 0.264 89 L C 0.293 177.194 176.870 0.051 0.000 0.998 89 L CA -0.959 53.839 54.840 -0.071 0.000 0.817 89 L CB 2.195 44.140 42.059 -0.190 0.000 1.338 89 L HN 0.798 nan 8.230 nan 0.000 0.414 90 T N -3.414 111.227 114.554 0.146 0.000 2.766 90 T HA 0.044 4.394 4.350 -0.000 0.000 0.295 90 T C 0.787 175.603 174.700 0.195 0.000 1.024 90 T CA -0.185 62.009 62.100 0.158 0.000 1.018 90 T CB 0.640 69.607 68.868 0.166 0.000 1.002 90 T HN 0.754 nan 8.240 nan 0.000 0.532 91 D N -0.176 120.303 120.400 0.132 0.000 2.392 91 D HA 0.013 4.653 4.640 -0.000 0.000 0.228 91 D C 1.862 178.232 176.300 0.117 0.000 1.003 91 D CA 0.783 54.852 54.000 0.114 0.000 0.917 91 D CB -0.733 40.109 40.800 0.071 0.000 0.890 91 D HN 0.681 nan 8.370 nan 0.000 0.532 92 A N -0.408 122.497 122.820 0.143 0.000 2.125 92 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 92 A C 1.054 178.604 177.584 -0.057 0.000 1.156 92 A CA 0.619 52.680 52.037 0.040 0.000 0.671 92 A CB -0.812 18.208 19.000 0.033 0.000 0.794 92 A HN 0.344 nan 8.150 nan 0.000 0.459 93 Y N -0.104 120.254 120.300 0.096 0.000 2.571 93 Y HA 0.183 4.733 4.550 0.000 0.000 0.275 93 Y C 1.706 177.662 175.900 0.093 0.000 1.179 93 Y CA -0.207 57.964 58.100 0.118 0.000 1.242 93 Y CB -0.003 38.550 38.460 0.154 0.000 1.126 93 Y HN 0.430 nan 8.280 nan 0.000 0.524 94 E N -0.262 120.029 120.200 0.152 0.000 2.160 94 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 94 E C 2.008 178.664 176.600 0.092 0.000 0.991 94 E CA 1.602 58.067 56.400 0.108 0.000 0.810 94 E CB -0.209 29.534 29.700 0.071 0.000 0.742 94 E HN 0.645 nan 8.360 nan 0.000 0.466 95 C N -0.454 118.887 119.300 0.068 0.000 2.466 95 C HA 0.090 4.550 4.460 -0.000 0.000 0.283 95 C C 1.696 176.742 174.990 0.093 0.000 1.472 95 C CA -0.127 58.924 59.018 0.054 0.000 1.765 95 C CB -1.037 26.711 27.740 0.012 0.000 1.724 95 C HN 0.220 nan 8.230 nan 0.000 0.560 96 L N 0.587 121.904 121.223 0.156 0.000 3.066 96 L HA 0.238 4.578 4.340 -0.000 0.000 0.265 96 L C 1.566 178.551 176.870 0.192 0.000 1.232 96 L CA 0.150 55.118 54.840 0.214 0.000 1.031 96 L CB -0.241 42.035 42.059 0.360 0.000 1.379 96 L HN 0.143 nan 8.230 nan 0.000 0.563 97 D N 1.363 121.848 120.400 0.142 0.000 2.309 97 D HA -0.140 4.500 4.640 -0.000 0.000 0.212 97 D C 1.742 178.105 176.300 0.105 0.000 0.968 97 D CA 1.133 55.203 54.000 0.117 0.000 0.882 97 D CB 0.481 41.333 40.800 0.086 0.000 0.918 97 D HN 0.302 nan 8.370 nan 0.000 0.503 98 A N -0.955 121.923 122.820 0.097 0.000 2.460 98 A HA 0.361 4.681 4.320 -0.000 0.000 0.258 98 A C 0.788 178.434 177.584 0.104 0.000 1.300 98 A CA -0.240 51.841 52.037 0.072 0.000 0.913 98 A CB 0.440 19.459 19.000 0.031 0.000 1.031 98 A HN 0.048 nan 8.150 nan 0.000 0.512 99 S N -0.638 115.162 115.700 0.167 0.000 2.794 99 S HA 0.205 4.675 4.470 -0.000 0.000 0.244 99 S C 0.984 175.717 174.600 0.221 0.000 1.045 99 S CA -0.504 57.854 58.200 0.263 0.000 1.114 99 S CB 0.133 63.523 63.200 0.316 0.000 1.085 99 S HN 0.573 nan 8.310 nan 0.000 0.488 100 R N 1.685 122.289 120.500 0.173 0.000 2.115 100 R HA 0.023 4.363 4.340 -0.000 0.000 0.226 100 R C -1.113 175.266 176.300 0.131 0.000 1.100 100 R CA 0.910 57.115 56.100 0.176 0.000 0.980 100 R CB -1.104 29.366 30.300 0.284 0.000 0.875 100 R HN 0.282 nan 8.270 nan 0.000 0.445 101 P HA -0.160 nan 4.420 nan 0.000 0.218 101 P C 0.355 177.514 177.300 -0.235 0.000 1.149 101 P CA 1.067 64.094 63.100 -0.121 0.000 0.817 101 P CB -0.060 31.474 31.700 -0.277 0.000 0.785 102 W N -0.529 120.584 121.300 -0.312 0.000 2.358 102 W HA -0.100 4.561 4.660 0.000 0.000 0.303 102 W C 2.179 178.159 176.519 -0.898 0.000 1.208 102 W CA 0.558 57.460 57.345 -0.738 0.000 1.274 102 W CB -0.959 27.909 29.460 -0.986 0.000 1.138 102 W HN -0.134 nan 8.180 nan 0.000 0.515 103 L N -1.014 120.080 121.223 -0.215 0.000 2.046 103 L HA -0.287 4.053 4.340 -0.000 0.000 0.208 103 L C 2.407 179.213 176.870 -0.106 0.000 1.077 103 L CA 1.138 55.958 54.840 -0.033 0.000 0.747 103 L CB -1.103 40.948 42.059 -0.014 0.000 0.896 103 L HN 0.074 nan 8.230 nan 0.000 0.432 104 C N -1.212 118.022 119.300 -0.109 0.000 2.413 104 C HA -0.247 4.213 4.460 -0.000 0.000 0.276 104 C C 2.758 177.698 174.990 -0.084 0.000 1.236 104 C CA 0.847 59.803 59.018 -0.102 0.000 1.735 104 C CB -0.849 26.861 27.740 -0.051 0.000 2.031 104 C HN 0.569 nan 8.230 nan 0.000 0.474 105 Y N 0.598 120.760 120.300 -0.231 0.000 2.114 105 Y HA -0.182 4.368 4.550 -0.000 0.000 0.284 105 Y C 2.343 178.233 175.900 -0.016 0.000 1.143 105 Y CA 1.500 59.478 58.100 -0.204 0.000 1.135 105 Y CB -0.745 37.505 38.460 -0.349 0.000 0.980 105 Y HN 0.376 nan 8.280 nan 0.000 0.499 106 W N 0.671 121.843 121.300 -0.214 0.000 2.321 106 W HA -0.238 4.422 4.660 0.000 0.000 0.306 106 W C 2.450 178.797 176.519 -0.286 0.000 1.217 106 W CA 1.529 58.666 57.345 -0.346 0.000 1.257 106 W CB -1.244 28.200 29.460 -0.026 0.000 1.145 106 W HN 0.224 nan 8.180 nan 0.000 0.509 107 I N -0.425 120.140 120.570 -0.008 0.000 2.233 107 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 107 I C 2.455 178.511 176.117 -0.102 0.000 1.093 107 I CA 0.999 62.240 61.300 -0.099 0.000 1.380 107 I CB -0.874 36.968 38.000 -0.263 0.000 1.067 107 I HN -0.177 nan 8.210 nan 0.000 0.413 108 L N 0.032 121.190 121.223 -0.108 0.000 2.012 108 L HA -0.289 4.051 4.340 -0.000 0.000 0.210 108 L C 2.780 179.618 176.870 -0.054 0.000 1.073 108 L CA 1.655 56.451 54.840 -0.073 0.000 0.748 108 L CB -0.900 41.125 42.059 -0.056 0.000 0.891 108 L HN 0.321 nan 8.230 nan 0.000 0.431 109 H N -0.411 118.514 119.070 -0.242 0.000 2.387 109 H HA -0.123 4.433 4.556 -0.000 0.000 0.299 109 H C 2.391 177.610 175.328 -0.181 0.000 1.090 109 H CA 1.635 57.531 56.048 -0.253 0.000 1.332 109 H CB 0.065 29.517 29.762 -0.517 0.000 1.386 109 H HN 0.153 nan 8.280 nan 0.000 0.516 110 S N -0.117 115.450 115.700 -0.223 0.000 2.348 110 S HA -0.120 4.350 4.470 -0.000 0.000 0.221 110 S C 2.341 176.873 174.600 -0.113 0.000 1.033 110 S CA 1.291 59.374 58.200 -0.195 0.000 1.010 110 S CB -0.350 62.804 63.200 -0.076 0.000 0.891 110 S HN 0.367 nan 8.310 nan 0.000 0.442 111 L N 1.336 122.533 121.223 -0.044 0.000 2.042 111 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 111 L C 2.722 179.582 176.870 -0.016 0.000 1.076 111 L CA 1.592 56.448 54.840 0.026 0.000 0.749 111 L CB -0.579 41.511 42.059 0.051 0.000 0.893 111 L HN 0.436 nan 8.230 nan 0.000 0.432 112 E N 0.756 120.920 120.200 -0.061 0.000 2.058 112 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 112 E C 2.351 178.898 176.600 -0.089 0.000 0.997 112 E CA 1.227 57.593 56.400 -0.056 0.000 0.801 112 E CB -0.079 29.608 29.700 -0.021 0.000 0.746 112 E HN 0.472 nan 8.360 nan 0.000 0.450 113 L N 0.533 121.641 121.223 -0.192 0.000 2.083 113 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 113 L C 2.417 179.251 176.870 -0.060 0.000 1.083 113 L CA 0.781 55.527 54.840 -0.156 0.000 0.752 113 L CB -0.211 41.692 42.059 -0.260 0.000 0.899 113 L HN 0.252 nan 8.230 nan 0.000 0.433 114 L N -0.723 120.475 121.223 -0.043 0.000 2.610 114 L HA -0.043 4.297 4.340 -0.000 0.000 0.232 114 L C 0.379 177.241 176.870 -0.014 0.000 1.149 114 L CA 0.056 54.896 54.840 -0.000 0.000 0.872 114 L CB -0.400 41.688 42.059 0.049 0.000 0.992 114 L HN 0.270 nan 8.230 nan 0.000 0.447 115 D N 1.019 121.408 120.400 -0.020 0.000 2.746 115 D HA -0.165 4.475 4.640 -0.000 0.000 0.236 115 D C -0.113 176.161 176.300 -0.042 0.000 1.129 115 D CA 0.577 54.562 54.000 -0.024 0.000 0.691 115 D CB -0.377 40.410 40.800 -0.022 0.000 1.077 115 D HN 0.252 nan 8.370 nan 0.000 0.432 116 E N 0.920 121.106 120.200 -0.024 0.000 2.151 116 E HA 0.408 4.758 4.350 -0.000 0.000 0.275 116 E C -1.945 174.665 176.600 0.016 0.000 0.936 116 E CA -1.608 54.775 56.400 -0.028 0.000 0.777 116 E CB 1.285 31.012 29.700 0.045 0.000 1.108 116 E HN 0.254 nan 8.360 nan 0.000 0.401 117 P HA 0.225 nan 4.420 nan 0.000 0.274 117 P C -0.220 177.097 177.300 0.028 0.000 1.231 117 P CA -0.402 62.702 63.100 0.007 0.000 0.790 117 P CB 0.897 32.594 31.700 -0.005 0.000 0.951 118 I N 2.786 123.360 120.570 0.007 0.000 2.291 118 I HA 0.242 4.412 4.170 -0.000 0.000 0.290 118 I C -2.090 174.021 176.117 -0.010 0.000 1.050 118 I CA -2.785 58.514 61.300 -0.002 0.000 1.245 118 I CB -0.037 37.949 38.000 -0.023 0.000 1.405 118 I HN 0.138 nan 8.210 nan 0.000 0.478 119 P HA 0.035 nan 4.420 nan 0.000 0.264 119 P C 0.737 178.023 177.300 -0.024 0.000 1.183 119 P CA -0.144 62.950 63.100 -0.009 0.000 0.763 119 P CB 0.690 32.388 31.700 -0.004 0.000 0.807 120 Q N 1.697 121.481 119.800 -0.026 0.000 2.226 120 Q HA -0.085 4.255 4.340 -0.000 0.000 0.204 120 Q C 1.834 177.813 176.000 -0.034 0.000 0.975 120 Q CA 1.274 57.057 55.803 -0.034 0.000 0.866 120 Q CB -0.340 28.379 28.738 -0.032 0.000 0.915 120 Q HN 0.588 nan 8.270 nan 0.000 0.440 121 I N -0.411 120.142 120.570 -0.029 0.000 2.252 121 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 121 I C 2.056 178.151 176.117 -0.037 0.000 1.102 121 I CA 0.559 61.841 61.300 -0.029 0.000 1.385 121 I CB -0.021 37.963 38.000 -0.025 0.000 1.064 121 I HN -0.019 nan 8.210 nan 0.000 0.414 122 V N 1.033 120.923 119.914 -0.041 0.000 2.255 122 V HA -0.342 3.778 4.120 -0.000 0.000 0.247 122 V C 2.714 178.777 176.094 -0.052 0.000 1.051 122 V CA 2.079 64.347 62.300 -0.053 0.000 1.018 122 V CB -1.162 30.628 31.823 -0.055 0.000 0.641 122 V HN 0.514 nan 8.190 nan 0.000 0.445 123 A N -0.634 122.155 122.820 -0.051 0.000 1.892 123 A HA -0.335 3.985 4.320 -0.000 0.000 0.218 123 A C 2.483 180.036 177.584 -0.052 0.000 1.188 123 A CA 2.950 54.952 52.037 -0.059 0.000 0.631 123 A CB -1.192 17.767 19.000 -0.068 0.000 0.822 123 A HN 0.493 nan 8.150 nan 0.000 0.447 124 T N -1.083 113.445 114.554 -0.044 0.000 2.788 124 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 124 T C 1.507 176.197 174.700 -0.017 0.000 1.044 124 T CA 1.900 63.981 62.100 -0.033 0.000 1.139 124 T CB -0.563 68.288 68.868 -0.028 0.000 0.867 124 T HN 0.466 nan 8.240 nan 0.000 0.454 125 D N 0.395 120.783 120.400 -0.020 0.000 2.144 125 D HA -0.027 4.613 4.640 -0.000 0.000 0.200 125 D C 2.206 178.518 176.300 0.020 0.000 0.978 125 D CA 0.660 54.655 54.000 -0.009 0.000 0.833 125 D CB -0.433 40.346 40.800 -0.036 0.000 0.961 125 D HN 0.291 nan 8.370 nan 0.000 0.470 126 V N 0.317 120.232 119.914 0.001 0.000 2.295 126 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 126 V C 2.614 178.743 176.094 0.060 0.000 1.049 126 V CA 1.272 63.593 62.300 0.035 0.000 1.024 126 V CB -0.497 31.314 31.823 -0.020 0.000 0.648 126 V HN 0.320 nan 8.190 nan 0.000 0.447 127 C N -0.429 118.876 119.300 0.008 0.000 2.413 127 C HA -0.232 4.228 4.460 -0.000 0.000 0.276 127 C C 2.861 177.868 174.990 0.028 0.000 1.236 127 C CA 1.251 60.268 59.018 -0.002 0.000 1.735 127 C CB -1.173 26.553 27.740 -0.023 0.000 2.031 127 C HN 0.608 nan 8.230 nan 0.000 0.474 128 Q N -0.713 119.113 119.800 0.044 0.000 2.084 128 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 128 Q C 2.044 178.097 176.000 0.088 0.000 0.978 128 Q CA 1.655 57.490 55.803 0.053 0.000 0.844 128 Q CB -0.390 28.377 28.738 0.049 0.000 0.898 128 Q HN 0.783 nan 8.270 nan 0.000 0.426 129 F N 1.253 121.188 119.950 -0.026 0.000 2.134 129 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 129 F C 1.689 177.486 175.800 -0.004 0.000 1.097 129 F CA 1.179 59.164 58.000 -0.025 0.000 1.264 129 F CB -0.173 38.798 39.000 -0.047 0.000 1.001 129 F HN -0.052 nan 8.300 nan 0.000 0.479 130 L N -0.013 121.089 121.223 -0.201 0.000 2.201 130 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 130 L C 2.339 179.187 176.870 -0.037 0.000 1.105 130 L CA 1.315 56.006 54.840 -0.248 0.000 0.775 130 L CB -0.763 41.198 42.059 -0.164 0.000 0.913 130 L HN 0.200 nan 8.230 nan 0.000 0.440 131 E N 0.354 120.545 120.200 -0.015 0.000 2.110 131 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 131 E C 2.302 178.864 176.600 -0.063 0.000 0.988 131 E CA 1.041 57.441 56.400 0.001 0.000 0.804 131 E CB -0.090 29.613 29.700 0.004 0.000 0.745 131 E HN 0.489 nan 8.360 nan 0.000 0.458 132 L N 0.092 121.251 121.223 -0.106 0.000 2.201 132 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 132 L C 2.260 179.033 176.870 -0.162 0.000 1.105 132 L CA 0.438 55.210 54.840 -0.114 0.000 0.775 132 L CB -0.154 41.859 42.059 -0.077 0.000 0.913 132 L HN 0.281 nan 8.230 nan 0.000 0.440 133 C N -0.947 118.211 119.300 -0.237 0.000 2.514 133 C HA -0.028 4.432 4.460 -0.000 0.000 0.271 133 C C 1.510 176.453 174.990 -0.078 0.000 1.399 133 C CA -0.387 58.522 59.018 -0.181 0.000 1.765 133 C CB -0.861 26.716 27.740 -0.272 0.000 1.893 133 C HN 0.412 nan 8.230 nan 0.000 0.531 134 Q N 1.477 121.197 119.800 -0.133 0.000 2.304 134 Q HA 0.214 4.554 4.340 -0.000 0.000 0.260 134 Q C 0.214 176.029 176.000 -0.309 0.000 0.965 134 Q CA 0.117 55.661 55.803 -0.431 0.000 0.898 134 Q CB 0.686 29.083 28.738 -0.569 0.000 1.196 134 Q HN 0.428 nan 8.270 nan 0.000 0.402 135 S N 3.820 119.309 115.700 -0.352 0.000 2.580 135 S HA 0.246 4.716 4.470 -0.000 0.000 0.274 135 S C -1.777 172.703 174.600 -0.200 0.000 1.329 135 S CA -1.416 56.649 58.200 -0.224 0.000 1.036 135 S CB 0.719 63.778 63.200 -0.235 0.000 0.919 135 S HN 0.617 nan 8.310 nan 0.000 0.515 136 P HA -0.020 nan 4.420 nan 0.000 0.218 136 P C 0.159 177.407 177.300 -0.086 0.000 1.148 136 P CA 1.084 64.131 63.100 -0.088 0.000 0.822 136 P CB 0.092 31.763 31.700 -0.048 0.000 0.784 137 D N -0.947 119.398 120.400 -0.090 0.000 2.388 137 D HA 0.283 4.923 4.640 -0.000 0.000 0.221 137 D C 0.799 177.051 176.300 -0.080 0.000 1.133 137 D CA 0.387 54.352 54.000 -0.058 0.000 0.831 137 D CB 0.373 41.161 40.800 -0.019 0.000 0.962 137 D HN 0.100 nan 8.370 nan 0.000 0.502 138 G N -0.004 108.683 108.800 -0.189 0.000 2.697 138 G HA2 0.357 4.317 3.960 -0.000 0.000 0.686 138 G HA3 0.357 4.317 3.960 -0.000 0.000 0.686 138 G C 0.175 174.741 174.900 -0.557 0.000 1.179 138 G CA -0.496 44.455 45.100 -0.249 0.000 0.765 138 G HN 0.568 nan 8.290 nan 0.000 0.649 139 G N -0.660 107.814 108.800 -0.543 0.000 2.756 139 G HA2 0.374 4.334 3.960 -0.000 0.000 0.678 139 G HA3 0.374 4.334 3.960 -0.000 0.000 0.678 139 G C -0.480 174.032 174.900 -0.648 0.000 1.349 139 G CA 0.060 44.809 45.100 -0.584 0.000 0.847 139 G HN 1.738 nan 8.290 nan 0.000 0.548 140 F N 0.351 120.171 119.950 -0.216 0.000 2.538 140 F HA 0.732 5.259 4.527 -0.000 0.000 0.325 140 F C 1.140 176.873 175.800 -0.111 0.000 1.066 140 F CA 0.237 58.136 58.000 -0.168 0.000 0.946 140 F CB 2.107 41.006 39.000 -0.169 0.000 1.199 140 F HN 0.808 nan 8.300 nan 0.000 0.473 141 G N -0.186 108.658 108.800 0.072 0.000 2.552 141 G HA2 0.442 4.402 3.960 -0.000 0.000 0.318 141 G HA3 0.442 4.402 3.960 -0.000 0.000 0.318 141 G C 0.779 175.700 174.900 0.035 0.000 1.240 141 G CA -0.449 44.684 45.100 0.056 0.000 1.002 141 G HN 0.895 nan 8.290 nan 0.000 0.493 142 G N -1.750 107.070 108.800 0.033 0.000 2.679 142 G HA2 0.450 4.410 3.960 -0.000 0.000 0.212 142 G HA3 0.450 4.410 3.960 -0.000 0.000 0.212 142 G C 0.683 175.614 174.900 0.052 0.000 1.137 142 G CA 0.994 46.119 45.100 0.042 0.000 0.787 142 G HN 1.297 nan 8.290 nan 0.000 0.534 143 G N -1.322 107.485 108.800 0.012 0.000 2.356 143 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 -3.470 171.409 174.900 -0.036 0.000 1.423 143 G CA -0.952 44.163 45.100 0.026 0.000 0.806 143 G HN -0.098 nan 8.290 nan 0.000 0.527 144 P HA 0.359 nan 4.420 nan 0.000 0.267 144 P C 0.978 178.258 177.300 -0.034 0.000 1.209 144 P CA 1.787 64.862 63.100 -0.042 0.000 0.763 144 P CB 1.037 32.744 31.700 0.011 0.000 0.816 145 G N 1.959 110.727 108.800 -0.052 0.000 2.175 145 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.244 145 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.244 145 G C 0.064 174.892 174.900 -0.120 0.000 0.982 145 G CA -0.346 44.715 45.100 -0.066 0.000 0.641 145 G HN 0.556 nan 8.290 nan 0.000 0.527 146 Q N -0.405 119.334 119.800 -0.101 0.000 2.259 146 Q HA 0.550 4.890 4.340 -0.000 0.000 0.246 146 Q C 0.049 176.015 176.000 -0.056 0.000 0.920 146 Q CA -0.733 54.986 55.803 -0.140 0.000 0.895 146 Q CB 0.974 29.672 28.738 -0.065 0.000 1.220 146 Q HN 0.488 nan 8.270 nan 0.000 0.439 147 Y N 1.966 122.268 120.300 0.003 0.000 2.550 147 Y HA 0.025 4.575 4.550 -0.000 0.000 0.343 147 Y C -1.535 174.372 175.900 0.011 0.000 1.245 147 Y CA -1.726 56.379 58.100 0.008 0.000 1.462 147 Y CB 0.018 38.506 38.460 0.046 0.000 1.340 147 Y HN 0.444 nan 8.280 nan 0.000 0.604 148 P HA 0.005 nan 4.420 nan 0.000 0.272 148 P C -1.024 176.430 177.300 0.256 0.000 1.230 148 P CA 0.490 63.588 63.100 -0.002 0.000 0.788 148 P CB 1.041 32.448 31.700 -0.488 0.000 0.949 149 H N 1.360 120.542 119.070 0.186 0.000 3.123 149 H HA 0.158 4.714 4.556 -0.000 0.000 0.346 149 H C 0.496 176.012 175.328 0.314 0.000 1.138 149 H CA -0.500 55.733 56.048 0.309 0.000 1.273 149 H CB 1.292 31.168 29.762 0.191 0.000 1.926 149 H HN 0.199 nan 8.280 nan 0.000 0.524 150 L N 2.954 124.373 121.223 0.325 0.000 2.131 150 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 150 L C 2.475 179.572 176.870 0.377 0.000 1.092 150 L CA 1.547 56.577 54.840 0.316 0.000 0.759 150 L CB -0.363 41.783 42.059 0.146 0.000 0.903 150 L HN 0.687 nan 8.230 nan 0.000 0.435 151 A N 0.770 123.966 122.820 0.627 0.000 1.841 151 A HA -0.095 4.225 4.320 -0.000 0.000 0.214 151 A C -0.187 177.509 177.584 0.186 0.000 1.195 151 A CA 1.472 53.859 52.037 0.585 0.000 0.611 151 A CB -1.851 17.650 19.000 0.835 0.000 0.835 151 A HN 0.271 nan 8.150 nan 0.000 0.443 152 P HA -0.088 nan 4.420 nan 0.000 0.220 152 P C 1.269 178.452 177.300 -0.195 0.000 1.148 152 P CA 1.590 64.574 63.100 -0.194 0.000 0.803 152 P CB -0.380 31.319 31.700 -0.001 0.000 0.782 153 T N -0.777 113.804 114.554 0.045 0.000 2.708 153 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 153 T C 1.694 176.335 174.700 -0.098 0.000 1.037 153 T CA 1.286 63.446 62.100 0.099 0.000 1.146 153 T CB -1.120 67.902 68.868 0.256 0.000 0.865 153 T HN 0.109 nan 8.240 nan 0.000 0.435 154 Y N 2.195 122.368 120.300 -0.212 0.000 2.128 154 Y HA -0.086 4.464 4.550 0.000 0.000 0.284 154 Y C 2.476 178.038 175.900 -0.564 0.000 1.154 154 Y CA 1.104 59.015 58.100 -0.314 0.000 1.149 154 Y CB -0.702 37.632 38.460 -0.211 0.000 0.976 154 Y HN 0.164 nan 8.280 nan 0.000 0.505 155 A N 0.846 123.114 122.820 -0.919 0.000 1.902 155 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 155 A C 2.445 179.536 177.584 -0.821 0.000 1.181 155 A CA 1.906 53.221 52.037 -1.203 0.000 0.623 155 A CB -1.551 16.546 19.000 -1.505 0.000 0.818 155 A HN 0.669 nan 8.150 nan 0.000 0.443 156 A N -0.451 121.926 122.820 -0.738 0.000 1.858 156 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 156 A C 2.238 179.411 177.584 -0.686 0.000 1.190 156 A CA 1.892 53.450 52.037 -0.800 0.000 0.617 156 A CB -1.123 17.035 19.000 -1.402 0.000 0.827 156 A HN 0.419 nan 8.150 nan 0.000 0.443 157 V N 0.919 120.460 119.914 -0.622 0.000 2.287 157 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 157 V C 2.386 178.260 176.094 -0.366 0.000 1.053 157 V CA 2.351 64.411 62.300 -0.400 0.000 1.027 157 V CB -1.114 30.536 31.823 -0.288 0.000 0.646 157 V HN 0.563 nan 8.190 nan 0.000 0.447 158 N N 0.207 118.589 118.700 -0.529 0.000 2.149 158 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 158 N C 1.812 177.192 175.510 -0.217 0.000 1.019 158 N CA 1.690 54.469 53.050 -0.452 0.000 0.857 158 N CB -0.525 37.450 38.487 -0.854 0.000 0.997 158 N HN 0.510 nan 8.380 nan 0.000 0.426 159 A N 0.650 123.333 122.820 -0.228 0.000 1.873 159 A HA -0.032 4.288 4.320 -0.000 0.000 0.215 159 A C 2.311 179.820 177.584 -0.125 0.000 1.186 159 A CA 0.885 52.855 52.037 -0.111 0.000 0.616 159 A CB -0.732 18.183 19.000 -0.142 0.000 0.823 159 A HN 0.250 nan 8.150 nan 0.000 0.442 160 L N -0.817 120.305 121.223 -0.169 0.000 2.131 160 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 160 L C 2.586 179.389 176.870 -0.112 0.000 1.092 160 L CA 1.066 55.824 54.840 -0.137 0.000 0.759 160 L CB -0.634 41.360 42.059 -0.108 0.000 0.903 160 L HN 0.483 nan 8.230 nan 0.000 0.435 161 C N -0.356 118.910 119.300 -0.057 0.000 2.450 161 C HA -0.058 4.402 4.460 -0.000 0.000 0.279 161 C C 2.708 177.685 174.990 -0.022 0.000 1.335 161 C CA 0.172 59.201 59.018 0.019 0.000 1.749 161 C CB -0.508 27.234 27.740 0.003 0.000 1.963 161 C HN 0.427 nan 8.230 nan 0.000 0.501 162 I N 0.711 121.261 120.570 -0.034 0.000 2.252 162 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 162 I C 2.263 178.349 176.117 -0.051 0.000 1.102 162 I CA 1.672 62.967 61.300 -0.009 0.000 1.385 162 I CB -0.286 37.729 38.000 0.026 0.000 1.064 162 I HN 0.303 nan 8.210 nan 0.000 0.414 163 I N 0.345 120.857 120.570 -0.097 0.000 2.163 163 I HA -0.193 3.977 4.170 -0.000 0.000 0.240 163 I C 1.967 177.962 176.117 -0.202 0.000 1.081 163 I CA 1.451 62.671 61.300 -0.134 0.000 1.353 163 I CB -0.747 37.163 38.000 -0.149 0.000 1.054 163 I HN 0.460 nan 8.210 nan 0.000 0.407 164 G N 1.099 109.700 108.800 -0.332 0.000 2.162 164 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 164 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 164 G C 0.530 175.000 174.900 -0.717 0.000 0.976 164 G CA 0.561 45.363 45.100 -0.498 0.000 0.655 164 G HN 0.530 nan 8.290 nan 0.000 0.533 165 T N -2.501 111.699 114.554 -0.591 0.000 2.816 165 T HA 0.583 4.933 4.350 -0.000 0.000 0.282 165 T C 1.175 175.526 174.700 -0.581 0.000 0.993 165 T CA 0.622 62.458 62.100 -0.440 0.000 0.994 165 T CB 1.749 70.468 68.868 -0.248 0.000 1.025 165 T HN 0.187 nan 8.240 nan 0.000 0.529 166 E N 0.030 120.073 120.200 -0.262 0.000 2.110 166 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 166 E C 2.021 178.555 176.600 -0.110 0.000 0.988 166 E CA 1.688 58.017 56.400 -0.118 0.000 0.804 166 E CB -0.240 29.454 29.700 -0.010 0.000 0.745 166 E HN 0.848 nan 8.360 nan 0.000 0.458 167 E N -0.396 119.730 120.200 -0.123 0.000 2.038 167 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 167 E C 1.974 178.516 176.600 -0.097 0.000 1.000 167 E CA 1.180 57.532 56.400 -0.081 0.000 0.803 167 E CB -0.271 29.383 29.700 -0.076 0.000 0.750 167 E HN 0.345 nan 8.360 nan 0.000 0.448 168 A N 0.503 123.202 122.820 -0.201 0.000 1.873 168 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 168 A C 2.043 179.577 177.584 -0.084 0.000 1.193 168 A CA 1.802 53.721 52.037 -0.197 0.000 0.629 168 A CB -1.320 17.481 19.000 -0.332 0.000 0.826 168 A HN 0.520 nan 8.150 nan 0.000 0.447 169 Y N 0.092 120.337 120.300 -0.092 0.000 2.151 169 Y HA -0.252 4.298 4.550 -0.000 0.000 0.284 169 Y C 2.431 178.394 175.900 0.106 0.000 1.166 169 Y CA 1.013 59.085 58.100 -0.047 0.000 1.163 169 Y CB -0.299 37.826 38.460 -0.558 0.000 0.974 169 Y HN 0.313 nan 8.280 nan 0.000 0.511 170 N N -0.172 118.640 118.700 0.186 0.000 2.453 170 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 170 N C 1.746 177.340 175.510 0.140 0.000 1.041 170 N CA 0.662 53.810 53.050 0.164 0.000 0.900 170 N CB -0.388 38.158 38.487 0.099 0.000 0.961 170 N HN 0.166 nan 8.380 nan 0.000 0.443 171 V N 1.375 121.366 119.914 0.128 0.000 2.332 171 V HA -0.140 3.980 4.120 -0.000 0.000 0.248 171 V C 1.101 177.291 176.094 0.160 0.000 1.055 171 V CA 0.883 63.256 62.300 0.122 0.000 1.038 171 V CB -0.300 31.593 31.823 0.116 0.000 0.651 171 V HN 0.209 nan 8.190 nan 0.000 0.450 172 I N 2.048 122.749 120.570 0.218 0.000 2.505 172 I HA 0.047 4.217 4.170 -0.000 0.000 0.287 172 I C 0.536 176.717 176.117 0.105 0.000 1.104 172 I CA 0.128 61.550 61.300 0.204 0.000 1.387 172 I CB -0.071 38.053 38.000 0.207 0.000 1.404 172 I HN 0.145 nan 8.210 nan 0.000 0.528 173 N N 6.964 125.668 118.700 0.007 0.000 2.448 173 N HA 0.100 4.840 4.740 -0.000 0.000 0.250 173 N C 0.962 176.468 175.510 -0.006 0.000 1.136 173 N CA 0.145 53.189 53.050 -0.009 0.000 0.953 173 N CB 0.483 38.931 38.487 -0.065 0.000 1.251 173 N HN 0.452 nan 8.380 nan 0.000 0.502 174 R N 2.159 122.676 120.500 0.028 0.000 2.092 174 R HA -0.099 4.241 4.340 -0.000 0.000 0.231 174 R C 1.008 177.321 176.300 0.022 0.000 1.119 174 R CA 1.317 57.424 56.100 0.013 0.000 0.970 174 R CB 0.173 30.489 30.300 0.027 0.000 0.864 174 R HN 0.489 nan 8.270 nan 0.000 0.440 175 E N 0.720 120.940 120.200 0.033 0.000 2.038 175 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 175 E C 1.848 178.472 176.600 0.040 0.000 1.000 175 E CA 1.203 57.628 56.400 0.042 0.000 0.803 175 E CB 0.031 29.755 29.700 0.040 0.000 0.750 175 E HN 0.036 nan 8.360 nan 0.000 0.448 176 K N 0.250 120.659 120.400 0.016 0.000 2.097 176 K HA -0.076 4.244 4.320 -0.000 0.000 0.205 176 K C 2.120 178.745 176.600 0.041 0.000 1.050 176 K CA 0.487 56.781 56.287 0.011 0.000 0.938 176 K CB -0.604 31.871 32.500 -0.042 0.000 0.718 176 K HN 0.119 nan 8.250 nan 0.000 0.442 177 L N 1.414 122.648 121.223 0.017 0.000 2.013 177 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 177 L C 2.178 179.111 176.870 0.105 0.000 1.073 177 L CA 1.440 56.312 54.840 0.054 0.000 0.753 177 L CB -0.835 41.235 42.059 0.017 0.000 0.890 177 L HN 0.104 nan 8.230 nan 0.000 0.432 178 L N -0.650 120.619 121.223 0.076 0.000 2.046 178 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 178 L C 2.489 179.469 176.870 0.183 0.000 1.077 178 L CA 1.740 56.633 54.840 0.089 0.000 0.747 178 L CB -0.749 41.374 42.059 0.107 0.000 0.896 178 L HN 0.446 nan 8.230 nan 0.000 0.432 179 Q N -1.753 118.154 119.800 0.178 0.000 2.061 179 Q HA -0.285 4.055 4.340 -0.000 0.000 0.204 179 Q C 2.187 178.301 176.000 0.190 0.000 0.984 179 Q CA 2.202 58.114 55.803 0.181 0.000 0.846 179 Q CB -0.547 28.253 28.738 0.103 0.000 0.902 179 Q HN 0.608 nan 8.270 nan 0.000 0.421 180 Y N 1.503 121.828 120.300 0.042 0.000 2.097 180 Y HA -0.268 4.282 4.550 -0.000 0.000 0.282 180 Y C 1.889 177.817 175.900 0.046 0.000 1.152 180 Y CA 1.518 59.634 58.100 0.026 0.000 1.136 180 Y CB -0.444 38.015 38.460 -0.002 0.000 0.975 180 Y HN 0.026 nan 8.280 nan 0.000 0.498 181 L N -1.384 119.820 121.223 -0.032 0.000 2.013 181 L HA -0.331 4.009 4.340 -0.000 0.000 0.212 181 L C 2.336 179.159 176.870 -0.079 0.000 1.073 181 L CA 1.991 56.764 54.840 -0.113 0.000 0.753 181 L CB -1.045 40.933 42.059 -0.135 0.000 0.890 181 L HN 0.265 nan 8.230 nan 0.000 0.432 182 Y N 0.401 120.662 120.300 -0.064 0.000 2.165 182 Y HA -0.296 4.254 4.550 -0.000 0.000 0.286 182 Y C 3.081 178.893 175.900 -0.147 0.000 1.155 182 Y CA 1.648 59.685 58.100 -0.106 0.000 1.164 182 Y CB -0.236 38.174 38.460 -0.084 0.000 0.978 182 Y HN 0.322 nan 8.280 nan 0.000 0.513 183 S N -0.439 115.271 115.700 0.017 0.000 2.474 183 S HA -0.124 4.346 4.470 -0.000 0.000 0.235 183 S C 1.542 176.056 174.600 -0.143 0.000 0.997 183 S CA 1.051 59.216 58.200 -0.059 0.000 0.949 183 S CB -0.623 62.551 63.200 -0.042 0.000 0.766 183 S HN 0.493 nan 8.310 nan 0.000 0.517 184 L N -0.356 120.750 121.223 -0.195 0.000 2.463 184 L HA 0.337 4.677 4.340 -0.000 0.000 0.219 184 L C 0.979 177.678 176.870 -0.286 0.000 1.088 184 L CA -0.166 54.552 54.840 -0.204 0.000 0.849 184 L CB -0.164 41.785 42.059 -0.184 0.000 1.012 184 L HN 0.114 nan 8.230 nan 0.000 0.468 185 K N 1.518 121.658 120.400 -0.433 0.000 2.448 185 K HA 0.032 4.352 4.320 -0.000 0.000 0.278 185 K C -0.177 176.117 176.600 -0.511 0.000 1.009 185 K CA 0.427 56.217 56.287 -0.828 0.000 0.995 185 K CB 0.447 32.512 32.500 -0.725 0.000 0.917 185 K HN -0.099 nan 8.250 nan 0.000 0.481 186 Q N 4.325 123.795 119.800 -0.549 0.000 2.215 186 Q HA 0.293 4.633 4.340 -0.000 0.000 0.256 186 Q C -1.779 174.056 176.000 -0.275 0.000 0.972 186 Q CA -2.267 53.328 55.803 -0.345 0.000 0.889 186 Q CB 0.775 29.315 28.738 -0.331 0.000 1.281 186 Q HN 0.441 nan 8.270 nan 0.000 0.456 187 P HA -0.125 nan 4.420 nan 0.000 0.220 187 P C 0.370 177.611 177.300 -0.097 0.000 1.148 187 P CA 1.176 64.204 63.100 -0.120 0.000 0.803 187 P CB 0.274 31.925 31.700 -0.082 0.000 0.782 188 D N -1.885 118.452 120.400 -0.105 0.000 2.340 188 D HA 0.098 4.738 4.640 -0.000 0.000 0.220 188 D C 1.413 177.693 176.300 -0.033 0.000 1.039 188 D CA 0.593 54.575 54.000 -0.030 0.000 0.866 188 D CB -0.657 40.165 40.800 0.036 0.000 0.913 188 D HN 0.234 nan 8.370 nan 0.000 0.523 189 G N -0.189 108.515 108.800 -0.160 0.000 2.218 189 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 189 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 189 G C 0.429 175.135 174.900 -0.324 0.000 0.994 189 G CA 0.233 45.252 45.100 -0.136 0.000 0.637 189 G HN 0.775 nan 8.290 nan 0.000 0.505 190 S N -0.264 115.038 115.700 -0.662 0.000 2.707 190 S HA 0.846 5.316 4.470 -0.000 0.000 0.276 190 S C -0.414 173.816 174.600 -0.617 0.000 1.179 190 S CA -0.610 57.062 58.200 -0.880 0.000 0.992 190 S CB 1.624 63.900 63.200 -1.539 0.000 1.030 190 S HN 0.484 nan 8.310 nan 0.000 0.554 191 F N -0.162 119.523 119.950 -0.442 0.000 2.532 191 F HA 0.525 5.052 4.527 -0.000 0.000 0.321 191 F C -0.002 175.637 175.800 -0.268 0.000 1.089 191 F CA -1.093 56.730 58.000 -0.294 0.000 0.926 191 F CB 1.356 40.230 39.000 -0.210 0.000 1.168 191 F HN 0.449 nan 8.300 nan 0.000 0.459 192 L N 3.407 124.579 121.223 -0.085 0.000 2.452 192 L HA 0.120 4.460 4.340 -0.000 0.000 0.267 192 L C 1.409 178.221 176.870 -0.095 0.000 1.188 192 L CA -0.532 54.230 54.840 -0.129 0.000 0.821 192 L CB 0.358 42.303 42.059 -0.190 0.000 1.102 192 L HN 0.661 nan 8.230 nan 0.000 0.470 193 M N 0.484 120.007 119.600 -0.128 0.000 2.254 193 M HA -0.013 4.467 4.480 -0.000 0.000 0.265 193 M C 0.343 176.528 176.300 -0.191 0.000 1.066 193 M CA 1.271 56.494 55.300 -0.127 0.000 1.123 193 M CB -1.033 31.539 32.600 -0.047 0.000 1.388 193 M HN 0.842 nan 8.290 nan 0.000 0.425 194 H N -5.067 113.895 119.070 -0.181 0.000 2.950 194 H HA 0.450 5.006 4.556 -0.000 0.000 0.307 194 H C -0.972 174.343 175.328 -0.022 0.000 1.403 194 H CA -1.190 54.815 56.048 -0.071 0.000 1.145 194 H CB 0.438 30.172 29.762 -0.045 0.000 1.844 194 H HN -0.251 nan 8.280 nan 0.000 0.515 195 V N 1.601 121.588 119.914 0.123 0.000 2.540 195 V HA 0.281 4.401 4.120 -0.000 0.000 0.297 195 V C 1.581 177.680 176.094 0.009 0.000 1.024 195 V CA 1.616 63.929 62.300 0.021 0.000 1.105 195 V CB 0.223 32.072 31.823 0.043 0.000 0.938 195 V HN 1.428 nan 8.190 nan 0.000 0.482 196 G N 3.544 112.295 108.800 -0.082 0.000 2.179 196 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.257 196 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.257 196 G C 0.449 175.256 174.900 -0.155 0.000 1.010 196 G CA 0.269 45.333 45.100 -0.060 0.000 0.736 196 G HN 1.346 nan 8.290 nan 0.000 0.513 197 G N -0.922 107.603 108.800 -0.459 0.000 2.938 197 G HA2 0.742 4.702 3.960 -0.000 0.000 0.258 197 G HA3 0.742 4.702 3.960 -0.000 0.000 0.258 197 G C -0.019 174.702 174.900 -0.299 0.000 1.356 197 G CA 0.185 44.872 45.100 -0.687 0.000 1.052 197 G HN 0.642 nan 8.290 nan 0.000 0.550 198 E N -0.836 119.255 120.200 -0.181 0.000 2.250 198 E HA 0.506 4.856 4.350 -0.000 0.000 0.265 198 E C -1.158 175.411 176.600 -0.052 0.000 1.033 198 E CA -0.626 55.739 56.400 -0.057 0.000 0.888 198 E CB 1.754 31.473 29.700 0.031 0.000 1.151 198 E HN 0.125 nan 8.360 nan 0.000 0.412 199 V N 1.954 121.853 119.914 -0.027 0.000 2.459 199 V HA 0.410 4.530 4.120 -0.000 0.000 0.295 199 V C -0.612 175.515 176.094 0.056 0.000 1.029 199 V CA -0.210 62.070 62.300 -0.034 0.000 0.874 199 V CB 1.118 32.882 31.823 -0.099 0.000 0.985 199 V HN 0.936 nan 8.190 nan 0.000 0.438 200 D N 2.395 122.850 120.400 0.090 0.000 2.692 200 D HA 0.148 4.788 4.640 -0.000 0.000 0.290 200 D C 0.247 176.722 176.300 0.292 0.000 1.281 200 D CA -0.526 53.598 54.000 0.207 0.000 0.804 200 D CB 1.638 42.488 40.800 0.084 0.000 1.331 200 D HN 0.134 nan 8.370 nan 0.000 0.432 201 V N 0.465 120.600 119.914 0.369 0.000 2.720 201 V HA -0.171 3.949 4.120 -0.000 0.000 0.256 201 V C 2.025 178.313 176.094 0.322 0.000 1.082 201 V CA 1.829 64.385 62.300 0.427 0.000 1.101 201 V CB -0.651 31.343 31.823 0.285 0.000 0.693 201 V HN 0.567 nan 8.190 nan 0.000 0.479 202 R N 0.706 121.401 120.500 0.326 0.000 2.105 202 R HA -0.142 4.198 4.340 -0.000 0.000 0.239 202 R C 2.568 179.005 176.300 0.228 0.000 1.135 202 R CA 1.744 58.013 56.100 0.281 0.000 0.967 202 R CB -0.576 29.886 30.300 0.270 0.000 0.861 202 R HN 0.772 nan 8.270 nan 0.000 0.442 203 S N 0.534 116.336 115.700 0.169 0.000 2.402 203 S HA -0.063 4.407 4.470 -0.000 0.000 0.229 203 S C 2.216 176.794 174.600 -0.035 0.000 1.021 203 S CA 0.854 59.098 58.200 0.073 0.000 0.974 203 S CB -0.114 63.121 63.200 0.060 0.000 0.800 203 S HN 0.361 nan 8.310 nan 0.000 0.484 204 A N 1.039 123.889 122.820 0.050 0.000 1.877 204 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 204 A C 2.064 179.638 177.584 -0.017 0.000 1.186 204 A CA 1.512 53.560 52.037 0.018 0.000 0.620 204 A CB -1.325 17.791 19.000 0.193 0.000 0.822 204 A HN 0.657 nan 8.150 nan 0.000 0.443 205 Y N 0.434 120.708 120.300 -0.043 0.000 2.097 205 Y HA -0.306 4.244 4.550 0.000 0.000 0.282 205 Y C 2.618 178.474 175.900 -0.074 0.000 1.152 205 Y CA 1.581 59.638 58.100 -0.072 0.000 1.136 205 Y CB -1.014 37.422 38.460 -0.040 0.000 0.975 205 Y HN 0.380 nan 8.280 nan 0.000 0.498 206 C N 0.690 119.874 119.300 -0.193 0.000 2.398 206 C HA -0.243 4.217 4.460 -0.000 0.000 0.276 206 C C 3.081 177.974 174.990 -0.160 0.000 1.222 206 C CA 1.436 60.326 59.018 -0.213 0.000 1.746 206 C CB -1.909 25.830 27.740 -0.001 0.000 2.039 206 C HN 0.763 nan 8.230 nan 0.000 0.470 207 A N 0.441 123.130 122.820 -0.218 0.000 1.858 207 A HA 0.065 4.385 4.320 -0.000 0.000 0.216 207 A C 2.397 179.952 177.584 -0.048 0.000 1.190 207 A CA 2.212 54.102 52.037 -0.245 0.000 0.617 207 A CB -1.096 17.462 19.000 -0.737 0.000 0.827 207 A HN 0.608 nan 8.150 nan 0.000 0.443 208 A N -0.946 121.800 122.820 -0.124 0.000 1.972 208 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 208 A C 2.458 179.965 177.584 -0.128 0.000 1.169 208 A CA 2.219 54.113 52.037 -0.239 0.000 0.635 208 A CB -0.876 17.837 19.000 -0.477 0.000 0.810 208 A HN 0.549 nan 8.150 nan 0.000 0.446 209 S N -0.439 115.150 115.700 -0.184 0.000 2.345 209 S HA -0.146 4.324 4.470 -0.000 0.000 0.220 209 S C 2.075 176.719 174.600 0.074 0.000 1.031 209 S CA 2.102 60.289 58.200 -0.022 0.000 0.996 209 S CB -0.739 62.379 63.200 -0.136 0.000 0.882 209 S HN 0.965 nan 8.310 nan 0.000 0.445 210 V N 0.365 120.281 119.914 0.004 0.000 2.548 210 V HA 0.181 4.301 4.120 -0.000 0.000 0.249 210 V C 2.447 178.509 176.094 -0.054 0.000 1.055 210 V CA 1.535 63.810 62.300 -0.041 0.000 1.065 210 V CB -1.532 30.277 31.823 -0.024 0.000 0.681 210 V HN 0.490 nan 8.190 nan 0.000 0.462 211 A N 1.736 124.559 122.820 0.006 0.000 1.930 211 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 211 A C 2.580 180.178 177.584 0.023 0.000 1.175 211 A CA 2.313 54.370 52.037 0.033 0.000 0.627 211 A CB -0.910 18.192 19.000 0.170 0.000 0.815 211 A HN 0.885 nan 8.150 nan 0.000 0.443 212 S N 0.144 115.870 115.700 0.045 0.000 2.357 212 S HA -0.058 4.412 4.470 -0.000 0.000 0.221 212 S C 1.910 176.496 174.600 -0.025 0.000 1.031 212 S CA 1.302 59.529 58.200 0.045 0.000 0.982 212 S CB -0.803 62.460 63.200 0.106 0.000 0.853 212 S HN 0.412 nan 8.310 nan 0.000 0.458 213 L N 1.960 123.129 121.223 -0.090 0.000 2.042 213 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 213 L C 2.910 179.619 176.870 -0.268 0.000 1.076 213 L CA 1.668 56.390 54.840 -0.197 0.000 0.749 213 L CB -1.080 40.813 42.059 -0.277 0.000 0.893 213 L HN 0.628 nan 8.230 nan 0.000 0.432 214 T N -4.435 109.869 114.554 -0.416 0.000 3.107 214 T HA 0.069 4.419 4.350 -0.000 0.000 0.249 214 T C 0.790 175.276 174.700 -0.356 0.000 1.096 214 T CA 0.073 61.679 62.100 -0.823 0.000 1.012 214 T CB -0.302 68.111 68.868 -0.757 0.000 0.977 214 T HN 0.326 nan 8.240 nan 0.000 0.527 215 N N 1.312 119.929 118.700 -0.138 0.000 2.708 215 N HA -0.167 4.573 4.740 -0.000 0.000 0.255 215 N C 0.190 175.684 175.510 -0.027 0.000 1.046 215 N CA 0.894 53.924 53.050 -0.032 0.000 0.715 215 N CB -1.848 36.654 38.487 0.024 0.000 0.895 215 N HN 0.910 nan 8.380 nan 0.000 0.545 216 I N -2.518 118.038 120.570 -0.024 0.000 3.966 216 I HA 0.378 4.548 4.170 -0.000 0.000 0.324 216 I C -0.021 176.107 176.117 0.018 0.000 1.517 216 I CA -0.617 60.681 61.300 -0.004 0.000 1.117 216 I CB 0.159 38.145 38.000 -0.023 0.000 1.190 216 I HN 0.032 nan 8.210 nan 0.000 0.466 217 I N 3.843 124.442 120.570 0.050 0.000 2.363 217 I HA 0.123 4.293 4.170 -0.000 0.000 0.292 217 I C 1.020 177.180 176.117 0.072 0.000 1.075 217 I CA 0.036 61.389 61.300 0.087 0.000 1.333 217 I CB 0.873 38.983 38.000 0.184 0.000 1.415 217 I HN 0.348 nan 8.210 nan 0.000 0.502 218 T N 3.280 117.862 114.554 0.047 0.000 2.847 218 T HA 0.315 4.665 4.350 -0.000 0.000 0.279 218 T C -1.614 173.135 174.700 0.082 0.000 0.984 218 T CA -1.691 60.457 62.100 0.079 0.000 0.988 218 T CB 1.271 70.220 68.868 0.135 0.000 1.040 218 T HN 0.277 nan 8.240 nan 0.000 0.528 219 P HA -0.063 nan 4.420 nan 0.000 0.217 219 P C 0.910 178.258 177.300 0.081 0.000 1.148 219 P CA 1.169 64.318 63.100 0.081 0.000 0.828 219 P CB 0.011 31.752 31.700 0.068 0.000 0.783 220 D N -2.116 118.332 120.400 0.080 0.000 2.433 220 D HA -0.001 4.639 4.640 -0.000 0.000 0.211 220 D C 1.644 177.947 176.300 0.004 0.000 1.114 220 D CA -0.170 53.870 54.000 0.067 0.000 0.837 220 D CB -0.904 39.945 40.800 0.082 0.000 0.984 220 D HN -0.008 nan 8.370 nan 0.000 0.505 221 L N 0.043 121.205 121.223 -0.102 0.000 2.043 221 L HA -0.008 4.332 4.340 -0.000 0.000 0.212 221 L C 1.019 177.603 176.870 -0.476 0.000 1.075 221 L CA 1.712 56.273 54.840 -0.464 0.000 0.752 221 L CB -0.630 41.012 42.059 -0.696 0.000 0.891 221 L HN -0.018 nan 8.230 nan 0.000 0.432 222 F N -0.386 119.584 119.950 0.034 0.000 2.750 222 F HA 0.247 4.774 4.527 -0.000 0.000 0.297 222 F C 0.703 176.533 175.800 0.049 0.000 1.138 222 F CA -0.808 57.239 58.000 0.079 0.000 1.346 222 F CB -0.129 38.918 39.000 0.080 0.000 0.965 222 F HN -0.095 nan 8.300 nan 0.000 0.514 223 E N 0.867 121.138 120.200 0.118 0.000 2.493 223 E HA 0.105 4.455 4.350 -0.000 0.000 0.255 223 E C 1.287 177.931 176.600 0.073 0.000 0.999 223 E CA 0.951 57.401 56.400 0.083 0.000 0.934 223 E CB 0.711 30.433 29.700 0.036 0.000 0.940 223 E HN 0.610 nan 8.360 nan 0.000 0.473 224 G N 3.553 112.409 108.800 0.094 0.000 2.205 224 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.261 224 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.261 224 G C 1.233 176.227 174.900 0.157 0.000 0.980 224 G CA 0.752 45.911 45.100 0.098 0.000 0.632 224 G HN 0.525 nan 8.290 nan 0.000 0.533 225 T N 0.897 115.568 114.554 0.195 0.000 2.737 225 T HA 0.190 4.540 4.350 -0.000 0.000 0.265 225 T C 2.799 177.653 174.700 0.257 0.000 1.038 225 T CA 2.329 64.592 62.100 0.271 0.000 1.144 225 T CB -0.441 68.668 68.868 0.402 0.000 0.866 225 T HN 1.178 nan 8.240 nan 0.000 0.434 226 A N 1.557 124.479 122.820 0.169 0.000 1.940 226 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 226 A C 2.209 179.858 177.584 0.109 0.000 1.176 226 A CA 1.752 53.856 52.037 0.112 0.000 0.631 226 A CB -0.542 18.497 19.000 0.065 0.000 0.814 226 A HN 0.435 nan 8.150 nan 0.000 0.446 227 E N -1.430 118.843 120.200 0.121 0.000 2.072 227 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 227 E C 1.581 178.248 176.600 0.112 0.000 0.985 227 E CA 1.261 57.716 56.400 0.093 0.000 0.801 227 E CB -0.369 29.383 29.700 0.087 0.000 0.750 227 E HN 0.839 nan 8.360 nan 0.000 0.452 228 W N 0.942 122.248 121.300 0.011 0.000 2.358 228 W HA -0.122 4.538 4.660 -0.000 0.000 0.303 228 W C 1.699 178.215 176.519 -0.004 0.000 1.208 228 W CA 1.439 58.786 57.345 0.004 0.000 1.274 228 W CB -0.163 29.307 29.460 0.016 0.000 1.138 228 W HN -0.019 nan 8.180 nan 0.000 0.515 229 I N 0.769 121.464 120.570 0.208 0.000 2.208 229 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 229 I C 2.588 178.603 176.117 -0.171 0.000 1.097 229 I CA 1.538 62.836 61.300 -0.002 0.000 1.363 229 I CB -1.053 37.021 38.000 0.123 0.000 1.051 229 I HN 0.102 nan 8.210 nan 0.000 0.413 230 A N 0.643 123.404 122.820 -0.098 0.000 2.019 230 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 230 A C 2.297 179.775 177.584 -0.176 0.000 1.164 230 A CA 1.249 53.218 52.037 -0.114 0.000 0.644 230 A CB -0.529 18.437 19.000 -0.057 0.000 0.805 230 A HN 0.349 nan 8.150 nan 0.000 0.449 231 R N -1.116 119.234 120.500 -0.249 0.000 2.280 231 R HA -0.056 4.284 4.340 -0.000 0.000 0.207 231 R C 1.533 177.618 176.300 -0.358 0.000 1.043 231 R CA 1.099 57.027 56.100 -0.286 0.000 1.006 231 R CB -0.520 29.584 30.300 -0.327 0.000 0.885 231 R HN 0.604 nan 8.270 nan 0.000 0.467 232 C N 0.353 119.390 119.300 -0.439 0.000 2.563 232 C HA 0.037 4.497 4.460 -0.000 0.000 0.268 232 C C 1.387 176.195 174.990 -0.304 0.000 1.365 232 C CA -0.389 58.375 59.018 -0.424 0.000 1.754 232 C CB -0.653 26.778 27.740 -0.515 0.000 1.932 232 C HN 0.444 nan 8.230 nan 0.000 0.536 233 Q N 2.641 122.286 119.800 -0.258 0.000 2.311 233 Q HA 0.145 4.485 4.340 -0.000 0.000 0.272 233 Q C 0.109 175.980 176.000 -0.216 0.000 1.012 233 Q CA 0.421 56.075 55.803 -0.247 0.000 0.891 233 Q CB 0.557 29.177 28.738 -0.197 0.000 1.201 233 Q HN 0.714 nan 8.270 nan 0.000 0.391 234 N N 3.272 121.811 118.700 -0.268 0.000 2.906 234 N HA 0.139 4.879 4.740 -0.000 0.000 0.327 234 N C 0.646 176.046 175.510 -0.183 0.000 1.344 234 N CA -0.662 52.268 53.050 -0.199 0.000 0.823 234 N CB -0.388 37.951 38.487 -0.248 0.000 1.351 234 N HN 0.875 nan 8.380 nan 0.000 0.604 235 W N -0.607 120.641 121.300 -0.086 0.000 2.480 235 W HA 0.041 4.701 4.660 -0.000 0.000 0.257 235 W C 0.210 176.708 176.519 -0.034 0.000 1.235 235 W CA 0.556 57.871 57.345 -0.050 0.000 1.218 235 W CB -0.753 28.689 29.460 -0.030 0.000 1.131 235 W HN 0.579 nan 8.180 nan 0.000 0.606 236 E N 0.088 119.841 120.200 -0.745 0.000 2.318 236 E HA 0.169 4.519 4.350 -0.000 0.000 0.193 236 E C 2.093 178.512 176.600 -0.301 0.000 0.998 236 E CA 0.789 56.800 56.400 -0.648 0.000 0.859 236 E CB -0.116 29.045 29.700 -0.899 0.000 0.812 236 E HN 0.369 nan 8.360 nan 0.000 0.492 237 G N 0.774 109.356 108.800 -0.364 0.000 2.307 237 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.210 237 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.210 237 G C 0.590 175.201 174.900 -0.482 0.000 1.005 237 G CA -0.256 44.694 45.100 -0.249 0.000 0.634 237 G HN 0.506 nan 8.290 nan 0.000 0.496 238 G N -0.363 107.771 108.800 -1.109 0.000 2.525 238 G HA2 0.658 4.618 3.960 -0.000 0.000 0.287 238 G HA3 0.658 4.618 3.960 -0.000 0.000 0.287 238 G C -0.258 174.143 174.900 -0.832 0.000 1.350 238 G CA -0.550 43.674 45.100 -1.459 0.000 1.039 238 G HN 0.670 nan 8.290 nan 0.000 0.513 239 I N -0.030 120.138 120.570 -0.669 0.000 2.509 239 I HA 0.497 4.667 4.170 -0.000 0.000 0.293 239 I C 0.712 176.686 176.117 -0.239 0.000 1.020 239 I CA -0.760 60.320 61.300 -0.366 0.000 1.088 239 I CB 2.190 40.051 38.000 -0.231 0.000 1.267 239 I HN 0.592 nan 8.210 nan 0.000 0.430 240 G N 2.361 111.020 108.800 -0.235 0.000 2.521 240 G HA2 0.451 4.411 3.960 -0.000 0.000 0.323 240 G HA3 0.451 4.411 3.960 -0.000 0.000 0.323 240 G C 0.830 175.491 174.900 -0.398 0.000 1.211 240 G CA -0.201 44.777 45.100 -0.203 0.000 0.979 240 G HN 0.781 nan 8.290 nan 0.000 0.490 241 G N -1.313 107.027 108.800 -0.766 0.000 2.418 241 G HA2 0.222 4.182 3.960 -0.000 0.000 0.217 241 G HA3 0.222 4.182 3.960 -0.000 0.000 0.217 241 G C 0.689 175.311 174.900 -0.463 0.000 1.158 241 G CA 1.916 46.267 45.100 -1.248 0.000 0.771 241 G HN 1.484 nan 8.290 nan 0.000 0.545 242 V N -4.502 115.224 119.914 -0.313 0.000 3.130 242 V HA 0.676 4.796 4.120 -0.000 0.000 0.310 242 V C -2.987 172.950 176.094 -0.261 0.000 1.158 242 V CA -3.059 59.121 62.300 -0.200 0.000 1.029 242 V CB 1.785 33.599 31.823 -0.014 0.000 1.057 242 V HN -0.118 nan 8.190 nan 0.000 0.436 243 P HA 0.331 nan 4.420 nan 0.000 0.261 243 P C 0.938 178.156 177.300 -0.137 0.000 1.183 243 P CA 2.073 65.017 63.100 -0.261 0.000 0.761 243 P CB 0.480 32.026 31.700 -0.257 0.000 0.785 244 G N 1.987 110.723 108.800 -0.107 0.000 2.238 244 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 244 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 244 G C 0.145 175.037 174.900 -0.013 0.000 0.996 244 G CA -0.480 44.599 45.100 -0.035 0.000 0.632 244 G HN 0.385 nan 8.290 nan 0.000 0.503 245 M N 1.421 120.984 119.600 -0.062 0.000 2.288 245 M HA 0.433 4.913 4.480 -0.000 0.000 0.334 245 M C 0.732 177.007 176.300 -0.043 0.000 1.150 245 M CA -1.185 54.090 55.300 -0.043 0.000 1.118 245 M CB 0.868 33.412 32.600 -0.093 0.000 1.501 245 M HN 0.373 nan 8.290 nan 0.000 0.462 246 E N 1.135 121.342 120.200 0.012 0.000 2.481 246 E HA 0.214 4.564 4.350 -0.000 0.000 0.263 246 E C -0.695 175.877 176.600 -0.047 0.000 0.992 246 E CA -0.282 56.119 56.400 0.001 0.000 0.938 246 E CB 0.683 30.434 29.700 0.084 0.000 0.933 246 E HN 0.698 nan 8.360 nan 0.000 0.453 247 A N 4.943 127.658 122.820 -0.175 0.000 2.440 247 A HA 0.129 4.449 4.320 -0.000 0.000 0.251 247 A C -0.524 177.090 177.584 0.050 0.000 1.089 247 A CA -0.015 51.857 52.037 -0.275 0.000 0.779 247 A CB 0.417 18.953 19.000 -0.774 0.000 1.022 247 A HN 0.707 nan 8.150 nan 0.000 0.492 248 H N 1.482 120.553 119.070 0.002 0.000 2.771 248 H HA 0.370 4.926 4.556 -0.000 0.000 0.361 248 H C 1.222 176.656 175.328 0.177 0.000 1.108 248 H CA 0.182 56.328 56.048 0.163 0.000 1.201 248 H CB 1.877 31.734 29.762 0.159 0.000 1.681 248 H HN 0.697 nan 8.280 nan 0.000 0.534 249 G N 2.295 111.120 108.800 0.042 0.000 2.469 249 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.220 249 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.220 249 G C 1.476 176.487 174.900 0.185 0.000 1.136 249 G CA 0.886 46.075 45.100 0.149 0.000 0.759 249 G HN 0.661 nan 8.290 nan 0.000 0.562 250 G N -0.140 108.765 108.800 0.175 0.000 2.404 250 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.215 250 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.215 250 G C 1.597 176.352 174.900 -0.242 0.000 1.174 250 G CA 0.813 45.719 45.100 -0.324 0.000 0.780 250 G HN 0.515 nan 8.290 nan 0.000 0.537 251 Y N 0.964 121.272 120.300 0.015 0.000 2.314 251 Y HA -0.048 4.502 4.550 -0.000 0.000 0.293 251 Y C 3.303 179.184 175.900 -0.032 0.000 1.129 251 Y CA 1.183 59.268 58.100 -0.025 0.000 1.201 251 Y CB -0.214 38.224 38.460 -0.037 0.000 0.999 251 Y HN 0.109 nan 8.280 nan 0.000 0.541 252 T N 0.527 115.152 114.554 0.119 0.000 2.737 252 T HA -0.219 4.131 4.350 -0.000 0.000 0.265 252 T C 1.574 176.298 174.700 0.040 0.000 1.038 252 T CA 1.432 63.543 62.100 0.017 0.000 1.144 252 T CB -0.682 68.175 68.868 -0.018 0.000 0.866 252 T HN 0.351 nan 8.240 nan 0.000 0.434 253 F N 1.602 121.541 119.950 -0.018 0.000 2.095 253 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 253 F C 2.404 178.113 175.800 -0.151 0.000 1.104 253 F CA 0.845 58.811 58.000 -0.056 0.000 1.232 253 F CB -0.785 38.249 39.000 0.057 0.000 0.987 253 F HN 0.157 nan 8.300 nan 0.000 0.475 254 C N 0.815 120.015 119.300 -0.168 0.000 2.413 254 C HA -0.089 4.371 4.460 -0.000 0.000 0.276 254 C C 3.087 177.958 174.990 -0.199 0.000 1.248 254 C CA 1.194 59.997 59.018 -0.358 0.000 1.742 254 C CB -1.964 25.746 27.740 -0.049 0.000 2.017 254 C HN 0.747 nan 8.230 nan 0.000 0.481 255 G N 0.121 108.865 108.800 -0.095 0.000 2.434 255 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.214 255 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.214 255 G C 1.491 176.326 174.900 -0.108 0.000 1.202 255 G CA 0.847 45.917 45.100 -0.050 0.000 0.788 255 G HN 0.419 nan 8.290 nan 0.000 0.539 256 L N 1.503 122.627 121.223 -0.166 0.000 2.017 256 L HA 0.110 4.450 4.340 -0.000 0.000 0.208 256 L C 3.088 179.829 176.870 -0.214 0.000 1.073 256 L CA 2.203 56.944 54.840 -0.166 0.000 0.745 256 L CB -0.785 41.183 42.059 -0.152 0.000 0.894 256 L HN 0.252 nan 8.230 nan 0.000 0.432 257 A N -0.728 121.857 122.820 -0.393 0.000 1.933 257 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 257 A C 2.433 179.944 177.584 -0.121 0.000 1.175 257 A CA 1.810 53.628 52.037 -0.365 0.000 0.628 257 A CB -1.085 17.454 19.000 -0.769 0.000 0.814 257 A HN 0.570 nan 8.150 nan 0.000 0.444 258 A N -0.239 122.556 122.820 -0.042 0.000 1.873 258 A HA -0.007 4.313 4.320 -0.000 0.000 0.215 258 A C 2.168 179.692 177.584 -0.099 0.000 1.186 258 A CA 1.404 53.424 52.037 -0.028 0.000 0.616 258 A CB -0.604 18.410 19.000 0.024 0.000 0.823 258 A HN 0.460 nan 8.150 nan 0.000 0.442 259 L N -0.470 120.707 121.223 -0.076 0.000 2.042 259 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 259 L C 2.561 179.392 176.870 -0.064 0.000 1.076 259 L CA 1.199 56.001 54.840 -0.064 0.000 0.749 259 L CB -0.629 41.403 42.059 -0.046 0.000 0.893 259 L HN 0.252 nan 8.230 nan 0.000 0.432 260 V N 0.333 120.205 119.914 -0.069 0.000 2.287 260 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 260 V C 2.325 178.393 176.094 -0.043 0.000 1.053 260 V CA 2.029 64.302 62.300 -0.046 0.000 1.027 260 V CB -0.361 31.432 31.823 -0.049 0.000 0.646 260 V HN 0.336 nan 8.190 nan 0.000 0.447 261 I N -0.506 120.016 120.570 -0.080 0.000 2.286 261 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 261 I C 1.978 178.041 176.117 -0.090 0.000 1.115 261 I CA 1.610 62.861 61.300 -0.083 0.000 1.392 261 I CB -0.220 37.694 38.000 -0.143 0.000 1.065 261 I HN 0.268 nan 8.210 nan 0.000 0.418 262 L N 0.300 121.447 121.223 -0.127 0.000 2.591 262 L HA 0.043 4.383 4.340 -0.000 0.000 0.228 262 L C 0.388 177.235 176.870 -0.039 0.000 1.133 262 L CA 0.181 54.953 54.840 -0.114 0.000 0.880 262 L CB -0.329 41.635 42.059 -0.157 0.000 1.033 262 L HN 0.190 nan 8.230 nan 0.000 0.450 263 K N 0.296 120.681 120.400 -0.024 0.000 3.125 263 K HA -0.167 4.153 4.320 -0.000 0.000 0.268 263 K C 0.025 176.626 176.600 0.002 0.000 1.078 263 K CA 0.348 56.635 56.287 0.001 0.000 0.775 263 K CB -1.096 31.413 32.500 0.015 0.000 1.253 263 K HN 0.147 nan 8.250 nan 0.000 0.486 264 K N 0.115 120.511 120.400 -0.008 0.000 2.706 264 K HA 0.057 4.377 4.320 -0.000 0.000 0.203 264 K C 0.231 176.828 176.600 -0.006 0.000 1.102 264 K CA -0.013 56.273 56.287 -0.001 0.000 1.058 264 K CB 0.918 33.419 32.500 0.002 0.000 0.779 264 K HN 0.192 nan 8.250 nan 0.000 0.483 265 E N 0.845 121.041 120.200 -0.007 0.000 2.171 265 E HA -0.159 4.191 4.350 -0.000 0.000 0.197 265 E C 1.446 178.042 176.600 -0.006 0.000 0.997 265 E CA 1.248 57.641 56.400 -0.011 0.000 0.810 265 E CB -0.138 29.560 29.700 -0.003 0.000 0.738 265 E HN 0.210 nan 8.360 nan 0.000 0.467 266 R N 0.431 120.932 120.500 0.001 0.000 2.285 266 R HA 0.067 4.407 4.340 -0.000 0.000 0.213 266 R C 1.885 178.184 176.300 -0.002 0.000 1.068 266 R CA 0.877 56.978 56.100 0.003 0.000 1.004 266 R CB -0.090 30.214 30.300 0.007 0.000 0.873 266 R HN 0.064 nan 8.270 nan 0.000 0.467 267 S N 0.873 116.570 115.700 -0.004 0.000 2.442 267 S HA -0.013 4.457 4.470 -0.000 0.000 0.236 267 S C 0.931 175.519 174.600 -0.019 0.000 1.007 267 S CA 0.683 58.878 58.200 -0.007 0.000 0.965 267 S CB -0.039 63.160 63.200 -0.002 0.000 0.773 267 S HN 0.184 nan 8.310 nan 0.000 0.504 268 L N 1.875 123.083 121.223 -0.024 0.000 2.399 268 L HA 0.345 4.685 4.340 -0.000 0.000 0.265 268 L C 0.552 177.408 176.870 -0.024 0.000 1.089 268 L CA -0.750 54.068 54.840 -0.036 0.000 0.802 268 L CB 0.311 42.342 42.059 -0.046 0.000 1.180 268 L HN 0.014 nan 8.230 nan 0.000 0.454 269 N N 1.923 120.605 118.700 -0.030 0.000 2.605 269 N HA 0.112 4.852 4.740 -0.000 0.000 0.258 269 N C 0.749 176.256 175.510 -0.005 0.000 1.156 269 N CA 0.127 53.169 53.050 -0.014 0.000 1.008 269 N CB 0.419 38.898 38.487 -0.014 0.000 1.354 269 N HN 0.569 nan 8.380 nan 0.000 0.509 270 L N 2.058 123.284 121.223 0.006 0.000 2.191 270 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 270 L C 2.359 179.253 176.870 0.040 0.000 1.103 270 L CA 1.068 55.920 54.840 0.021 0.000 0.769 270 L CB -0.201 41.873 42.059 0.026 0.000 0.908 270 L HN 0.527 nan 8.230 nan 0.000 0.438 271 K N 0.578 121.000 120.400 0.037 0.000 2.001 271 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 271 K C 2.371 179.008 176.600 0.061 0.000 1.048 271 K CA 1.797 58.113 56.287 0.050 0.000 0.932 271 K CB -0.084 32.441 32.500 0.041 0.000 0.715 271 K HN 0.309 nan 8.250 nan 0.000 0.437 272 S N 1.154 116.883 115.700 0.048 0.000 2.402 272 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 272 S C 2.017 176.668 174.600 0.084 0.000 1.021 272 S CA 0.959 59.194 58.200 0.057 0.000 0.974 272 S CB -0.481 62.734 63.200 0.026 0.000 0.800 272 S HN 0.358 nan 8.310 nan 0.000 0.484 273 L N 1.464 122.721 121.223 0.058 0.000 2.017 273 L HA 0.135 4.475 4.340 -0.000 0.000 0.208 273 L C 2.258 179.244 176.870 0.193 0.000 1.073 273 L CA 1.695 56.589 54.840 0.090 0.000 0.745 273 L CB -1.303 40.771 42.059 0.025 0.000 0.894 273 L HN 0.427 nan 8.230 nan 0.000 0.432 274 L N -0.223 121.085 121.223 0.141 0.000 2.042 274 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 274 L C 2.579 179.543 176.870 0.156 0.000 1.076 274 L CA 2.284 57.214 54.840 0.149 0.000 0.749 274 L CB -0.855 41.277 42.059 0.122 0.000 0.893 274 L HN 0.602 nan 8.230 nan 0.000 0.432 275 Q N -1.825 118.063 119.800 0.146 0.000 2.167 275 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 275 Q C 2.070 178.156 176.000 0.143 0.000 0.970 275 Q CA 1.952 57.831 55.803 0.127 0.000 0.855 275 Q CB -0.466 28.338 28.738 0.110 0.000 0.911 275 Q HN 0.693 nan 8.270 nan 0.000 0.438 276 W N -0.330 120.968 121.300 -0.003 0.000 2.378 276 W HA -0.183 4.477 4.660 -0.000 0.000 0.313 276 W C 1.960 178.474 176.519 -0.008 0.000 1.197 276 W CA 1.546 58.873 57.345 -0.030 0.000 1.304 276 W CB -0.582 28.834 29.460 -0.073 0.000 1.148 276 W HN 0.040 nan 8.180 nan 0.000 0.494 277 V N 1.401 121.370 119.914 0.091 0.000 2.358 277 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 277 V C 2.479 178.529 176.094 -0.075 0.000 1.047 277 V CA 3.290 65.493 62.300 -0.162 0.000 1.035 277 V CB -1.178 30.709 31.823 0.106 0.000 0.658 277 V HN 0.468 nan 8.190 nan 0.000 0.452 278 T N -2.558 112.024 114.554 0.046 0.000 2.803 278 T HA -0.169 4.181 4.350 -0.000 0.000 0.269 278 T C 1.843 176.529 174.700 -0.023 0.000 1.052 278 T CA 1.848 64.004 62.100 0.094 0.000 1.136 278 T CB -0.694 68.247 68.868 0.121 0.000 0.864 278 T HN 0.476 nan 8.240 nan 0.000 0.467 279 S N 0.979 116.613 115.700 -0.110 0.000 2.515 279 S HA 0.093 4.563 4.470 -0.000 0.000 0.231 279 S C 1.925 176.366 174.600 -0.264 0.000 0.987 279 S CA 0.103 58.205 58.200 -0.164 0.000 0.936 279 S CB -0.191 62.917 63.200 -0.154 0.000 0.766 279 S HN 0.421 nan 8.310 nan 0.000 0.528 280 R N 1.181 121.483 120.500 -0.329 0.000 2.275 280 R HA 0.169 4.509 4.340 -0.000 0.000 0.199 280 R C 0.860 176.957 176.300 -0.338 0.000 0.989 280 R CA 0.080 55.972 56.100 -0.346 0.000 1.016 280 R CB -0.283 29.750 30.300 -0.444 0.000 0.918 280 R HN 0.507 nan 8.270 nan 0.000 0.473 281 Q N 1.057 120.527 119.800 -0.550 0.000 2.304 281 Q HA 0.130 4.470 4.340 -0.000 0.000 0.260 281 Q C -0.499 175.233 176.000 -0.446 0.000 0.965 281 Q CA -0.176 55.058 55.803 -0.948 0.000 0.898 281 Q CB 0.742 28.855 28.738 -1.042 0.000 1.196 281 Q HN -0.145 nan 8.270 nan 0.000 0.402 282 M N 4.301 123.675 119.600 -0.376 0.000 2.162 282 M HA 0.109 4.589 4.480 -0.000 0.000 0.356 282 M C 1.094 177.336 176.300 -0.098 0.000 1.303 282 M CA 0.389 55.580 55.300 -0.181 0.000 1.116 282 M CB 0.583 33.102 32.600 -0.135 0.000 1.632 282 M HN 0.702 nan 8.290 nan 0.000 0.469 283 R N 1.618 122.098 120.500 -0.033 0.000 2.096 283 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 283 R C 1.540 177.884 176.300 0.074 0.000 1.127 283 R CA 1.545 57.655 56.100 0.016 0.000 0.968 283 R CB -0.478 29.830 30.300 0.012 0.000 0.861 283 R HN 0.536 nan 8.270 nan 0.000 0.440 284 F N 1.989 121.914 119.950 -0.042 0.000 2.123 284 F HA 0.084 4.612 4.527 0.000 0.000 0.289 284 F C 1.823 177.793 175.800 0.284 0.000 1.099 284 F CA 1.368 59.373 58.000 0.010 0.000 1.234 284 F CB 0.042 39.041 39.000 -0.001 0.000 1.034 284 F HN -0.083 nan 8.300 nan 0.000 0.479 285 E N 0.034 120.353 120.200 0.198 0.000 2.106 285 E HA 0.065 4.415 4.350 -0.000 0.000 0.192 285 E C 1.849 178.486 176.600 0.060 0.000 0.984 285 E CA 1.339 57.806 56.400 0.111 0.000 0.806 285 E CB -0.600 29.085 29.700 -0.024 0.000 0.750 285 E HN 0.608 nan 8.360 nan 0.000 0.458 286 G N -0.307 108.467 108.800 -0.044 0.000 2.241 286 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.244 286 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.244 286 G C 0.619 175.422 174.900 -0.163 0.000 0.998 286 G CA -0.006 45.061 45.100 -0.055 0.000 0.621 286 G HN 0.629 nan 8.290 nan 0.000 0.519 287 G N -0.717 107.829 108.800 -0.423 0.000 2.543 287 G HA2 0.620 4.580 3.960 -0.000 0.000 0.290 287 G HA3 0.620 4.580 3.960 -0.000 0.000 0.290 287 G C -0.556 174.154 174.900 -0.318 0.000 1.310 287 G CA -0.824 44.039 45.100 -0.394 0.000 1.025 287 G HN 0.267 nan 8.290 nan 0.000 0.502 288 F N -0.316 119.565 119.950 -0.114 0.000 2.458 288 F HA 0.396 4.923 4.527 0.000 0.000 0.330 288 F C 0.786 176.567 175.800 -0.032 0.000 1.082 288 F CA -0.628 57.318 58.000 -0.091 0.000 0.995 288 F CB 2.093 41.043 39.000 -0.083 0.000 1.170 288 F HN 0.529 nan 8.300 nan 0.000 0.478 289 Q N 0.931 120.733 119.800 0.003 0.000 2.193 289 Q HA 0.577 4.917 4.340 -0.000 0.000 0.246 289 Q C 0.407 176.096 176.000 -0.518 0.000 0.959 289 Q CA -0.533 55.209 55.803 -0.102 0.000 0.904 289 Q CB 1.700 30.361 28.738 -0.128 0.000 1.238 289 Q HN 0.824 nan 8.270 nan 0.000 0.469 290 G N 0.785 109.089 108.800 -0.827 0.000 2.603 290 G HA2 0.092 4.052 3.960 -0.000 0.000 0.214 290 G HA3 0.092 4.052 3.960 -0.000 0.000 0.214 290 G C 0.099 174.507 174.900 -0.821 0.000 1.140 290 G CA 0.074 44.326 45.100 -1.412 0.000 0.800 290 G HN 0.707 nan 8.290 nan 0.000 0.533 291 R N -2.267 117.987 120.500 -0.409 0.000 2.712 291 R HA 0.408 4.748 4.340 -0.000 0.000 0.272 291 R C -1.260 174.979 176.300 -0.101 0.000 1.032 291 R CA -0.920 55.087 56.100 -0.154 0.000 0.874 291 R CB 0.040 30.329 30.300 -0.017 0.000 1.256 291 R HN -0.039 nan 8.270 nan 0.000 0.468 292 C N 2.385 121.666 119.300 -0.031 0.000 2.596 292 C HA 0.093 4.553 4.460 -0.000 0.000 0.414 292 C C 0.653 175.644 174.990 0.001 0.000 1.396 292 C CA 1.066 60.065 59.018 -0.032 0.000 1.698 292 C CB -1.306 26.447 27.740 0.021 0.000 2.572 292 C HN 0.973 nan 8.230 nan 0.000 0.604 293 N N 2.576 121.268 118.700 -0.013 0.000 2.776 293 N HA -0.135 4.605 4.740 -0.000 0.000 0.250 293 N C -0.316 175.203 175.510 0.015 0.000 1.112 293 N CA 1.328 54.382 53.050 0.007 0.000 0.733 293 N CB -0.655 37.850 38.487 0.030 0.000 1.097 293 N HN 0.797 nan 8.380 nan 0.000 0.558 294 K N -0.252 120.150 120.400 0.003 0.000 2.296 294 K HA 0.584 4.904 4.320 -0.000 0.000 0.243 294 K C 0.521 177.135 176.600 0.024 0.000 1.082 294 K CA -0.792 55.510 56.287 0.026 0.000 0.929 294 K CB 0.971 33.499 32.500 0.048 0.000 1.353 294 K HN -0.080 nan 8.250 nan 0.000 0.536 295 L N 1.105 122.364 121.223 0.061 0.000 2.360 295 L HA 0.335 4.675 4.340 -0.000 0.000 0.271 295 L C 0.422 177.356 176.870 0.106 0.000 1.057 295 L CA -0.974 53.909 54.840 0.071 0.000 0.803 295 L CB 1.402 43.510 42.059 0.082 0.000 1.207 295 L HN 0.256 nan 8.230 nan 0.000 0.445 296 V N 1.484 121.443 119.914 0.075 0.000 2.999 296 V HA 0.089 4.209 4.120 -0.000 0.000 0.307 296 V C -0.496 175.713 176.094 0.192 0.000 1.084 296 V CA 0.593 62.941 62.300 0.079 0.000 1.155 296 V CB 1.311 33.083 31.823 -0.087 0.000 0.975 296 V HN 0.891 nan 8.190 nan 0.000 0.490 297 D N 2.811 123.378 120.400 0.279 0.000 2.931 297 D HA 0.337 4.977 4.640 -0.000 0.000 0.215 297 D C 0.712 177.184 176.300 0.287 0.000 1.297 297 D CA 0.188 54.345 54.000 0.261 0.000 0.892 297 D CB 1.698 42.592 40.800 0.158 0.000 1.642 297 D HN 0.593 nan 8.370 nan 0.000 0.560 298 G N 1.753 110.757 108.800 0.340 0.000 2.475 298 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.220 298 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.220 298 G C 1.740 176.772 174.900 0.220 0.000 1.125 298 G CA 1.436 46.742 45.100 0.345 0.000 0.755 298 G HN 0.756 nan 8.290 nan 0.000 0.565 299 C N -1.429 117.959 119.300 0.146 0.000 2.432 299 C HA 0.139 4.599 4.460 -0.000 0.000 0.280 299 C C 2.351 177.300 174.990 -0.068 0.000 1.353 299 C CA 0.222 59.206 59.018 -0.056 0.000 1.766 299 C CB -1.634 26.028 27.740 -0.131 0.000 1.924 299 C HN 0.476 nan 8.230 nan 0.000 0.509 300 Y N 2.129 122.547 120.300 0.197 0.000 2.616 300 Y HA -0.055 4.495 4.550 -0.000 0.000 0.296 300 Y C 2.719 178.570 175.900 -0.081 0.000 1.154 300 Y CA 0.619 58.790 58.100 0.117 0.000 1.325 300 Y CB -0.339 38.204 38.460 0.138 0.000 1.007 300 Y HN 0.319 nan 8.280 nan 0.000 0.542 301 S N 0.075 115.847 115.700 0.120 0.000 2.440 301 S HA -0.205 4.265 4.470 -0.000 0.000 0.238 301 S C 1.481 176.000 174.600 -0.134 0.000 1.010 301 S CA 1.444 59.661 58.200 0.029 0.000 0.972 301 S CB -0.339 62.951 63.200 0.150 0.000 0.774 301 S HN 0.571 nan 8.310 nan 0.000 0.501 302 F N 0.008 119.767 119.950 -0.318 0.000 2.390 302 F HA 0.227 4.754 4.527 -0.000 0.000 0.281 302 F C 1.557 177.037 175.800 -0.533 0.000 1.016 302 F CA -0.132 57.586 58.000 -0.469 0.000 1.286 302 F CB -0.552 38.110 39.000 -0.564 0.000 1.134 302 F HN 0.121 nan 8.300 nan 0.000 0.597 303 W N 1.207 122.298 121.300 -0.348 0.000 2.321 303 W HA -0.217 4.443 4.660 -0.000 0.000 0.306 303 W C 2.413 178.702 176.519 -0.384 0.000 1.217 303 W CA 1.167 58.247 57.345 -0.441 0.000 1.257 303 W CB -0.548 28.870 29.460 -0.071 0.000 1.145 303 W HN 0.081 nan 8.180 nan 0.000 0.509 304 Q N -0.070 119.614 119.800 -0.194 0.000 2.013 304 Q HA 0.002 4.342 4.340 -0.000 0.000 0.195 304 Q C 2.483 178.008 176.000 -0.793 0.000 0.974 304 Q CA 1.528 57.059 55.803 -0.454 0.000 0.826 304 Q CB -1.362 27.019 28.738 -0.595 0.000 0.895 304 Q HN 0.285 nan 8.270 nan 0.000 0.448 305 A N 1.025 123.099 122.820 -1.243 0.000 2.019 305 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 305 A C 2.187 179.306 177.584 -0.775 0.000 1.164 305 A CA 1.653 52.919 52.037 -1.284 0.000 0.644 305 A CB -0.960 17.203 19.000 -1.394 0.000 0.805 305 A HN 0.456 nan 8.150 nan 0.000 0.449 306 G N -0.548 107.824 108.800 -0.713 0.000 2.559 306 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.216 306 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.216 306 G C 1.369 176.072 174.900 -0.329 0.000 1.126 306 G CA 0.775 45.488 45.100 -0.645 0.000 0.778 306 G HN 0.469 nan 8.290 nan 0.000 0.543 307 L N -0.429 120.645 121.223 -0.247 0.000 2.217 307 L HA 0.104 4.444 4.340 -0.000 0.000 0.211 307 L C 2.702 179.515 176.870 -0.094 0.000 1.107 307 L CA 0.262 55.044 54.840 -0.096 0.000 0.783 307 L CB -0.165 41.879 42.059 -0.025 0.000 0.919 307 L HN 0.194 nan 8.230 nan 0.000 0.442 308 L N -0.352 120.788 121.223 -0.139 0.000 2.093 308 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 308 L C -0.311 176.521 176.870 -0.064 0.000 1.085 308 L CA 1.155 56.004 54.840 0.015 0.000 0.755 308 L CB -1.465 40.727 42.059 0.222 0.000 0.904 308 L HN 0.195 nan 8.230 nan 0.000 0.435 309 P HA -0.142 nan 4.420 nan 0.000 0.220 309 P C 1.811 179.020 177.300 -0.152 0.000 1.148 309 P CA 1.264 63.945 63.100 -0.698 0.000 0.803 309 P CB 0.107 31.208 31.700 -0.998 0.000 0.782 310 L N -1.664 119.491 121.223 -0.113 0.000 2.044 310 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 310 L C 2.447 179.344 176.870 0.045 0.000 1.075 310 L CA 1.194 56.014 54.840 -0.034 0.000 0.747 310 L CB -0.948 41.067 42.059 -0.072 0.000 0.903 310 L HN -0.056 nan 8.230 nan 0.000 0.435 311 L N -0.930 120.337 121.223 0.073 0.000 2.046 311 L HA -0.262 4.078 4.340 -0.000 0.000 0.208 311 L C 2.645 179.624 176.870 0.182 0.000 1.077 311 L CA 1.362 56.270 54.840 0.115 0.000 0.747 311 L CB -0.660 41.475 42.059 0.126 0.000 0.896 311 L HN 0.307 nan 8.230 nan 0.000 0.432 312 H N 0.129 119.306 119.070 0.179 0.000 2.319 312 H HA -0.248 4.308 4.556 -0.000 0.000 0.297 312 H C 2.512 177.963 175.328 0.204 0.000 1.097 312 H CA 2.196 58.398 56.048 0.256 0.000 1.285 312 H CB 0.083 30.114 29.762 0.447 0.000 1.368 312 H HN 0.081 nan 8.280 nan 0.000 0.495 313 R N 0.061 120.759 120.500 0.330 0.000 2.096 313 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 313 R C 2.314 178.716 176.300 0.170 0.000 1.127 313 R CA 1.189 57.426 56.100 0.229 0.000 0.968 313 R CB -0.347 30.039 30.300 0.145 0.000 0.861 313 R HN 0.424 nan 8.270 nan 0.000 0.440 314 A N 1.131 124.025 122.820 0.123 0.000 1.872 314 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 314 A C 2.215 179.844 177.584 0.076 0.000 1.187 314 A CA 0.973 53.060 52.037 0.084 0.000 0.614 314 A CB -0.517 18.516 19.000 0.055 0.000 0.826 314 A HN 0.330 nan 8.150 nan 0.000 0.442 315 L N -1.208 120.058 121.223 0.072 0.000 2.083 315 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 315 L C 2.715 179.606 176.870 0.035 0.000 1.083 315 L CA 1.574 56.438 54.840 0.041 0.000 0.752 315 L CB -0.662 41.415 42.059 0.030 0.000 0.899 315 L HN 0.611 nan 8.230 nan 0.000 0.433 316 H N 0.334 119.375 119.070 -0.048 0.000 2.387 316 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 316 H C 2.071 177.404 175.328 0.007 0.000 1.090 316 H CA 1.407 57.432 56.048 -0.038 0.000 1.332 316 H CB 0.401 30.146 29.762 -0.027 0.000 1.386 316 H HN 0.332 nan 8.280 nan 0.000 0.516 317 A N 0.663 123.537 122.820 0.090 0.000 2.067 317 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 317 A C 2.133 179.705 177.584 -0.020 0.000 1.158 317 A CA 1.103 53.165 52.037 0.042 0.000 0.661 317 A CB -0.290 18.757 19.000 0.078 0.000 0.801 317 A HN 0.562 nan 8.150 nan 0.000 0.452 318 Q N -1.469 118.317 119.800 -0.024 0.000 2.320 318 Q HA 0.264 4.604 4.340 -0.000 0.000 0.201 318 Q C 1.004 176.966 176.000 -0.063 0.000 0.910 318 Q CA 0.267 56.053 55.803 -0.030 0.000 0.946 318 Q CB 0.135 28.868 28.738 -0.009 0.000 1.062 318 Q HN 0.824 nan 8.270 nan 0.000 0.503 319 G N 1.821 110.542 108.800 -0.131 0.000 2.148 319 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.254 319 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.254 319 G C -0.165 174.663 174.900 -0.119 0.000 0.981 319 G CA 0.202 45.203 45.100 -0.165 0.000 0.670 319 G HN 0.418 nan 8.290 nan 0.000 0.528 320 D N 0.898 121.245 120.400 -0.087 0.000 2.570 320 D HA 0.142 4.782 4.640 -0.000 0.000 0.243 320 D C 0.092 176.373 176.300 -0.031 0.000 1.171 320 D CA -0.477 53.499 54.000 -0.040 0.000 0.879 320 D CB 1.065 41.854 40.800 -0.018 0.000 1.143 320 D HN 0.291 nan 8.370 nan 0.000 0.511 321 P HA 0.074 nan 4.420 nan 0.000 0.245 321 P C 0.597 177.911 177.300 0.022 0.000 1.203 321 P CA 0.144 63.245 63.100 0.003 0.000 0.792 321 P CB 0.398 32.097 31.700 -0.002 0.000 0.997 322 A N -0.094 122.739 122.820 0.022 0.000 2.251 322 A HA 0.155 4.475 4.320 -0.000 0.000 0.209 322 A C 1.148 178.759 177.584 0.045 0.000 1.187 322 A CA -0.129 51.926 52.037 0.030 0.000 0.823 322 A CB -0.910 18.107 19.000 0.027 0.000 0.846 322 A HN 0.135 nan 8.150 nan 0.000 0.486 323 L N 1.368 122.621 121.223 0.050 0.000 2.462 323 L HA 0.076 4.416 4.340 -0.000 0.000 0.272 323 L C 1.133 178.080 176.870 0.128 0.000 1.166 323 L CA -0.299 54.584 54.840 0.071 0.000 0.880 323 L CB 0.706 42.746 42.059 -0.030 0.000 1.142 323 L HN 0.327 nan 8.230 nan 0.000 0.473 324 S N 3.641 119.429 115.700 0.146 0.000 2.559 324 S HA 0.040 4.510 4.470 -0.000 0.000 0.282 324 S C 0.857 175.527 174.600 0.116 0.000 1.336 324 S CA -0.204 58.045 58.200 0.082 0.000 1.037 324 S CB 0.520 63.734 63.200 0.023 0.000 0.853 324 S HN 0.608 nan 8.310 nan 0.000 0.523 325 M N 3.139 122.712 119.600 -0.046 0.000 2.405 325 M HA 0.156 4.636 4.480 -0.000 0.000 0.292 325 M C 1.013 177.049 176.300 -0.441 0.000 1.111 325 M CA 0.213 55.494 55.300 -0.032 0.000 0.979 325 M CB -0.309 32.301 32.600 0.017 0.000 1.426 325 M HN 0.869 nan 8.290 nan 0.000 0.509 326 S N -2.357 112.749 115.700 -0.990 0.000 2.661 326 S HA 0.223 4.693 4.470 -0.000 0.000 0.275 326 S C 0.144 173.523 174.600 -2.035 0.000 1.075 326 S CA -0.367 56.979 58.200 -1.425 0.000 1.251 326 S CB 0.655 63.372 63.200 -0.805 0.000 1.167 326 S HN 0.457 nan 8.310 nan 0.000 0.648 327 H N -0.736 117.478 119.070 -1.425 0.000 2.851 327 H HA 0.578 5.134 4.556 0.000 0.000 0.372 327 H C -1.307 173.762 175.328 -0.432 0.000 1.158 327 H CA -0.805 54.744 56.048 -0.832 0.000 1.159 327 H CB 0.795 30.298 29.762 -0.432 0.000 1.757 327 H HN 0.303 nan 8.280 nan 0.000 0.546 328 W N 2.067 123.451 121.300 0.140 0.000 2.093 328 W HA 0.193 4.853 4.660 -0.000 0.000 0.352 328 W C 0.674 177.255 176.519 0.104 0.000 1.294 328 W CA -0.643 56.822 57.345 0.201 0.000 1.290 328 W CB 0.485 30.077 29.460 0.219 0.000 1.149 328 W HN 0.384 nan 8.180 nan 0.000 0.606 329 M N 3.359 123.272 119.600 0.522 0.000 3.435 329 M HA 0.148 4.628 4.480 -0.000 0.000 0.205 329 M C -1.067 175.481 176.300 0.413 0.000 1.324 329 M CA 0.273 55.782 55.300 0.349 0.000 1.455 329 M CB -0.944 31.845 32.600 0.314 0.000 1.240 329 M HN 0.347 nan 8.290 nan 0.000 0.477 330 F N -3.871 116.231 119.950 0.254 0.000 2.685 330 F HA 0.426 4.953 4.527 -0.000 0.000 0.315 330 F C -0.492 175.408 175.800 0.167 0.000 1.126 330 F CA -1.351 56.788 58.000 0.232 0.000 0.950 330 F CB 0.783 40.010 39.000 0.378 0.000 1.360 330 F HN -0.105 nan 8.300 nan 0.000 0.469 331 H N 2.737 121.887 119.070 0.133 0.000 3.205 331 H HA 0.161 4.717 4.556 0.000 0.000 0.262 331 H C 0.606 175.894 175.328 -0.067 0.000 1.333 331 H CA 0.827 56.820 56.048 -0.092 0.000 1.499 331 H CB 0.913 30.584 29.762 -0.152 0.000 1.609 331 H HN 0.843 nan 8.280 nan 0.000 0.498 332 Q N 2.538 122.188 119.800 -0.249 0.000 2.084 332 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 332 Q C 2.158 178.229 176.000 0.118 0.000 0.978 332 Q CA 1.410 57.154 55.803 -0.098 0.000 0.844 332 Q CB 0.189 28.822 28.738 -0.175 0.000 0.898 332 Q HN 0.706 nan 8.270 nan 0.000 0.426 333 Q N 0.286 120.144 119.800 0.096 0.000 2.020 333 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 333 Q C 2.025 178.090 176.000 0.107 0.000 0.982 333 Q CA 1.540 57.404 55.803 0.102 0.000 0.838 333 Q CB -0.190 28.594 28.738 0.075 0.000 0.899 333 Q HN 0.388 nan 8.270 nan 0.000 0.423 334 A N 0.633 123.497 122.820 0.073 0.000 1.972 334 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 334 A C 1.970 179.624 177.584 0.116 0.000 1.169 334 A CA 1.272 53.252 52.037 -0.094 0.000 0.635 334 A CB -0.654 18.053 19.000 -0.488 0.000 0.810 334 A HN 0.496 nan 8.150 nan 0.000 0.446 335 L N -0.135 121.228 121.223 0.233 0.000 2.027 335 L HA -0.180 4.160 4.340 -0.000 0.000 0.206 335 L C 2.487 179.534 176.870 0.295 0.000 1.074 335 L CA 2.256 57.294 54.840 0.329 0.000 0.745 335 L CB -0.757 41.602 42.059 0.498 0.000 0.898 335 L HN 0.496 nan 8.230 nan 0.000 0.433 336 Q N -0.513 119.423 119.800 0.228 0.000 2.096 336 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 336 Q C 2.084 178.164 176.000 0.132 0.000 0.982 336 Q CA 2.128 58.025 55.803 0.157 0.000 0.850 336 Q CB -0.252 28.549 28.738 0.104 0.000 0.901 336 Q HN 0.655 nan 8.270 nan 0.000 0.422 337 E N -0.072 120.204 120.200 0.128 0.000 2.051 337 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 337 E C 1.781 178.499 176.600 0.197 0.000 0.991 337 E CA 1.162 57.629 56.400 0.111 0.000 0.799 337 E CB -0.230 29.494 29.700 0.040 0.000 0.748 337 E HN 0.345 nan 8.360 nan 0.000 0.449 338 Y N 1.468 121.853 120.300 0.142 0.000 2.128 338 Y HA -0.238 4.312 4.550 -0.000 0.000 0.284 338 Y C 1.936 177.910 175.900 0.124 0.000 1.154 338 Y CA 1.529 59.728 58.100 0.165 0.000 1.149 338 Y CB -0.199 38.350 38.460 0.150 0.000 0.976 338 Y HN -0.043 nan 8.280 nan 0.000 0.505 339 I N -0.514 120.081 120.570 0.040 0.000 2.202 339 I HA -0.321 3.849 4.170 -0.000 0.000 0.242 339 I C 2.321 178.394 176.117 -0.073 0.000 1.091 339 I CA 1.391 62.653 61.300 -0.063 0.000 1.368 339 I CB -0.474 37.570 38.000 0.074 0.000 1.058 339 I HN 0.229 nan 8.210 nan 0.000 0.410 340 L N -0.409 120.817 121.223 0.006 0.000 2.093 340 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 340 L C 2.543 179.426 176.870 0.021 0.000 1.085 340 L CA 1.448 56.302 54.840 0.023 0.000 0.755 340 L CB -0.315 41.770 42.059 0.043 0.000 0.904 340 L HN 0.273 nan 8.230 nan 0.000 0.435 341 M N -2.054 117.566 119.600 0.033 0.000 2.394 341 M HA -0.085 4.395 4.480 -0.000 0.000 0.266 341 M C 1.810 178.089 176.300 -0.036 0.000 1.098 341 M CA 0.926 56.270 55.300 0.074 0.000 1.149 341 M CB 0.143 32.874 32.600 0.219 0.000 1.369 341 M HN 0.350 nan 8.290 nan 0.000 0.450 342 C N -1.880 117.309 119.300 -0.185 0.000 3.188 342 C HA 0.170 4.630 4.460 -0.000 0.000 0.315 342 C C 1.801 176.601 174.990 -0.316 0.000 1.285 342 C CA -0.483 58.355 59.018 -0.300 0.000 1.729 342 C CB -0.360 27.091 27.740 -0.482 0.000 2.257 342 C HN 0.562 nan 8.230 nan 0.000 0.645 343 C N 0.851 119.971 119.300 -0.299 0.000 3.000 343 C HA 0.225 4.685 4.460 -0.000 0.000 0.286 343 C C 0.591 175.510 174.990 -0.118 0.000 1.343 343 C CA -0.152 58.733 59.018 -0.221 0.000 1.742 343 C CB -1.638 25.967 27.740 -0.225 0.000 2.200 343 C HN 0.601 nan 8.230 nan 0.000 0.621 344 Q N 0.284 120.040 119.800 -0.073 0.000 2.271 344 Q HA 0.356 4.696 4.340 -0.000 0.000 0.258 344 Q C -0.537 175.451 176.000 -0.021 0.000 0.936 344 Q CA -0.082 55.724 55.803 0.005 0.000 0.909 344 Q CB 1.868 30.651 28.738 0.075 0.000 1.253 344 Q HN 0.467 nan 8.270 nan 0.000 0.440 345 C N 4.623 123.913 119.300 -0.016 0.000 2.347 345 C HA 0.346 4.806 4.460 -0.000 0.000 0.353 345 C C -1.308 173.646 174.990 -0.059 0.000 1.273 345 C CA -1.927 57.050 59.018 -0.068 0.000 1.861 345 C CB 0.064 27.721 27.740 -0.139 0.000 2.420 345 C HN 0.740 nan 8.230 nan 0.000 0.542 346 P HA -0.078 nan 4.420 nan 0.000 0.217 346 P C 1.035 178.283 177.300 -0.087 0.000 1.148 346 P CA 1.881 64.938 63.100 -0.071 0.000 0.828 346 P CB 0.086 31.750 31.700 -0.060 0.000 0.783 347 A N -1.308 121.458 122.820 -0.089 0.000 2.251 347 A HA 0.503 4.823 4.320 -0.000 0.000 0.209 347 A C 0.967 178.499 177.584 -0.087 0.000 1.187 347 A CA 0.638 52.628 52.037 -0.078 0.000 0.823 347 A CB -0.846 18.117 19.000 -0.061 0.000 0.846 347 A HN 0.313 nan 8.150 nan 0.000 0.486 348 G N -2.469 106.255 108.800 -0.126 0.000 2.674 348 G HA2 0.541 4.501 3.960 -0.000 0.000 0.686 348 G HA3 0.541 4.501 3.960 -0.000 0.000 0.686 348 G C 0.378 175.134 174.900 -0.239 0.000 1.195 348 G CA -0.240 44.819 45.100 -0.070 0.000 0.776 348 G HN 2.415 nan 8.290 nan 0.000 0.654 349 G N -0.983 107.912 108.800 0.158 0.000 2.690 349 G HA2 0.361 4.321 3.960 -0.000 0.000 0.686 349 G HA3 0.361 4.321 3.960 -0.000 0.000 0.686 349 G C -0.553 174.245 174.900 -0.170 0.000 1.277 349 G CA 0.125 45.062 45.100 -0.271 0.000 0.799 349 G HN 1.654 nan 8.290 nan 0.000 0.613 350 L N 0.032 121.151 121.223 -0.174 0.000 2.260 350 L HA 1.002 5.342 4.340 -0.000 0.000 0.265 350 L C 0.433 177.253 176.870 -0.084 0.000 1.015 350 L CA -0.929 53.832 54.840 -0.131 0.000 0.826 350 L CB 1.774 43.741 42.059 -0.153 0.000 1.373 350 L HN 1.192 nan 8.230 nan 0.000 0.450 351 L N -3.763 117.405 121.223 -0.091 0.000 2.630 351 L HA 0.650 4.990 4.340 -0.000 0.000 0.258 351 L C 0.198 176.915 176.870 -0.254 0.000 1.072 351 L CA -0.661 54.064 54.840 -0.192 0.000 0.885 351 L CB 0.572 42.512 42.059 -0.198 0.000 1.502 351 L HN 0.429 nan 8.230 nan 0.000 0.406 352 D N 0.330 120.400 120.400 -0.550 0.000 2.081 352 D HA -0.078 4.562 4.640 -0.000 0.000 0.194 352 D C -0.004 176.270 176.300 -0.043 0.000 0.986 352 D CA 2.421 56.209 54.000 -0.353 0.000 0.837 352 D CB 0.330 40.881 40.800 -0.415 0.000 0.985 352 D HN 0.740 nan 8.370 nan 0.000 0.448 353 K N -1.662 118.702 120.400 -0.060 0.000 2.555 353 K HA 0.548 4.868 4.320 -0.000 0.000 0.279 353 K C -2.994 173.580 176.600 -0.044 0.000 0.986 353 K CA -1.738 54.561 56.287 0.021 0.000 0.880 353 K CB 1.547 34.112 32.500 0.108 0.000 1.474 353 K HN -0.271 nan 8.250 nan 0.000 0.433 354 P HA 0.021 nan 4.420 nan 0.000 0.264 354 P C 0.519 177.791 177.300 -0.046 0.000 1.183 354 P CA 1.588 64.652 63.100 -0.061 0.000 0.763 354 P CB 0.545 32.209 31.700 -0.061 0.000 0.807 355 G N 1.175 109.942 108.800 -0.056 0.000 2.213 355 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.236 355 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.236 355 G C 0.211 175.077 174.900 -0.056 0.000 0.991 355 G CA -0.217 44.854 45.100 -0.047 0.000 0.629 355 G HN 0.482 nan 8.290 nan 0.000 0.517 356 K N 1.165 121.520 120.400 -0.075 0.000 2.106 356 K HA 0.678 4.998 4.320 -0.000 0.000 0.246 356 K C 0.663 177.198 176.600 -0.108 0.000 0.987 356 K CA 0.189 56.419 56.287 -0.095 0.000 0.904 356 K CB 1.440 33.862 32.500 -0.131 0.000 1.071 356 K HN 0.540 nan 8.250 nan 0.000 0.453 357 S N 0.452 116.088 115.700 -0.108 0.000 2.617 357 S HA 0.434 4.904 4.470 -0.000 0.000 0.283 357 S C 0.172 174.700 174.600 -0.121 0.000 1.189 357 S CA -1.008 57.131 58.200 -0.102 0.000 1.036 357 S CB 1.254 64.408 63.200 -0.076 0.000 1.014 357 S HN 0.562 nan 8.310 nan 0.000 0.522 358 R N 0.439 120.861 120.500 -0.130 0.000 2.738 358 R HA 0.531 4.871 4.340 -0.000 0.000 0.268 358 R C -0.987 175.277 176.300 -0.060 0.000 1.062 358 R CA -0.324 55.686 56.100 -0.150 0.000 1.158 358 R CB -0.319 29.800 30.300 -0.302 0.000 1.046 358 R HN 0.858 nan 8.270 nan 0.000 0.493 359 D N -0.309 120.094 120.400 0.004 0.000 2.694 359 D HA 0.110 4.750 4.640 -0.000 0.000 0.260 359 D C -0.461 175.887 176.300 0.079 0.000 1.250 359 D CA -0.819 53.239 54.000 0.096 0.000 0.763 359 D CB 0.074 40.977 40.800 0.170 0.000 1.311 359 D HN 0.382 nan 8.370 nan 0.000 0.420 360 F N -0.849 119.297 119.950 0.327 0.000 2.325 360 F HA 0.015 4.542 4.527 0.000 0.000 0.299 360 F C 1.897 177.622 175.800 -0.125 0.000 1.090 360 F CA 0.350 58.442 58.000 0.154 0.000 1.392 360 F CB -0.294 38.805 39.000 0.165 0.000 1.053 360 F HN 0.465 nan 8.300 nan 0.000 0.521 361 Y N 0.425 120.496 120.300 -0.382 0.000 2.114 361 Y HA -0.271 4.279 4.550 0.000 0.000 0.284 361 Y C 2.398 177.998 175.900 -0.500 0.000 1.143 361 Y CA 2.022 59.514 58.100 -1.013 0.000 1.135 361 Y CB -0.695 37.147 38.460 -1.030 0.000 0.980 361 Y HN 0.029 nan 8.280 nan 0.000 0.499 362 H N -1.225 117.823 119.070 -0.038 0.000 2.495 362 H HA -0.058 4.498 4.556 -0.000 0.000 0.287 362 H C 2.112 177.357 175.328 -0.139 0.000 1.033 362 H CA 1.678 57.693 56.048 -0.056 0.000 1.307 362 H CB -0.130 29.651 29.762 0.033 0.000 1.401 362 H HN 0.305 nan 8.280 nan 0.000 0.555 363 T N -0.640 113.897 114.554 -0.027 0.000 2.737 363 T HA -0.220 4.130 4.350 -0.000 0.000 0.265 363 T C 2.345 176.936 174.700 -0.181 0.000 1.038 363 T CA 1.258 63.317 62.100 -0.069 0.000 1.144 363 T CB -0.676 68.238 68.868 0.078 0.000 0.866 363 T HN 0.562 nan 8.240 nan 0.000 0.434 364 C N 0.680 119.798 119.300 -0.302 0.000 2.413 364 C HA -0.118 4.342 4.460 -0.000 0.000 0.277 364 C C 2.332 176.969 174.990 -0.587 0.000 1.228 364 C CA 0.629 59.351 59.018 -0.494 0.000 1.731 364 C CB -1.400 25.906 27.740 -0.723 0.000 2.042 364 C HN 0.663 nan 8.230 nan 0.000 0.468 365 Y N -0.587 119.446 120.300 -0.446 0.000 2.420 365 Y HA 0.027 4.577 4.550 0.000 0.000 0.292 365 Y C 2.818 178.560 175.900 -0.264 0.000 1.119 365 Y CA 0.984 58.790 58.100 -0.491 0.000 1.229 365 Y CB -0.473 37.530 38.460 -0.761 0.000 1.026 365 Y HN 0.380 nan 8.280 nan 0.000 0.554 366 C N 0.084 119.347 119.300 -0.062 0.000 2.446 366 C HA -0.150 4.310 4.460 -0.000 0.000 0.277 366 C C 2.642 177.614 174.990 -0.029 0.000 1.275 366 C CA 0.993 60.006 59.018 -0.009 0.000 1.727 366 C CB -1.158 26.573 27.740 -0.014 0.000 2.010 366 C HN 0.526 nan 8.230 nan 0.000 0.486 367 L N 0.337 121.501 121.223 -0.097 0.000 2.056 367 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 367 L C 2.662 179.497 176.870 -0.059 0.000 1.078 367 L CA 1.305 56.089 54.840 -0.094 0.000 0.749 367 L CB -0.689 41.277 42.059 -0.155 0.000 0.901 367 L HN 0.288 nan 8.230 nan 0.000 0.433 368 S N 0.205 115.852 115.700 -0.090 0.000 2.359 368 S HA -0.163 4.307 4.470 -0.000 0.000 0.224 368 S C 2.040 176.726 174.600 0.143 0.000 1.035 368 S CA 1.426 59.625 58.200 -0.001 0.000 1.018 368 S CB -0.718 62.378 63.200 -0.173 0.000 0.876 368 S HN 0.613 nan 8.310 nan 0.000 0.448 369 G N 1.466 110.346 108.800 0.133 0.000 2.422 369 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 369 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 369 G C 1.382 176.367 174.900 0.141 0.000 1.146 369 G CA 0.809 45.988 45.100 0.133 0.000 0.769 369 G HN 0.395 nan 8.290 nan 0.000 0.547 370 L N 1.102 122.390 121.223 0.109 0.000 2.012 370 L HA -0.017 4.323 4.340 -0.000 0.000 0.210 370 L C 2.904 179.835 176.870 0.102 0.000 1.073 370 L CA 2.473 57.376 54.840 0.104 0.000 0.748 370 L CB -0.911 41.181 42.059 0.056 0.000 0.891 370 L HN 0.229 nan 8.230 nan 0.000 0.431 371 S N -0.704 115.059 115.700 0.105 0.000 2.359 371 S HA -0.169 4.301 4.470 -0.000 0.000 0.224 371 S C 2.062 176.791 174.600 0.215 0.000 1.035 371 S CA 1.494 59.783 58.200 0.148 0.000 1.018 371 S CB -0.332 62.980 63.200 0.187 0.000 0.876 371 S HN 0.424 nan 8.310 nan 0.000 0.448 372 I N 2.082 122.789 120.570 0.229 0.000 2.151 372 I HA -0.198 3.972 4.170 -0.000 0.000 0.243 372 I C 2.752 179.113 176.117 0.405 0.000 1.080 372 I CA 1.680 63.133 61.300 0.253 0.000 1.339 372 I CB -1.895 36.168 38.000 0.106 0.000 1.039 372 I HN 0.389 nan 8.210 nan 0.000 0.409 373 A N -0.236 122.807 122.820 0.371 0.000 2.066 373 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 373 A C 2.220 179.915 177.584 0.186 0.000 1.157 373 A CA 1.002 53.281 52.037 0.403 0.000 0.670 373 A CB -0.403 18.831 19.000 0.390 0.000 0.804 373 A HN 0.539 nan 8.150 nan 0.000 0.453 374 Q N -1.020 118.806 119.800 0.042 0.000 2.250 374 Q HA 0.021 4.361 4.340 -0.000 0.000 0.200 374 Q C -0.223 175.616 176.000 -0.268 0.000 0.941 374 Q CA 0.541 56.216 55.803 -0.214 0.000 0.872 374 Q CB 0.198 28.665 28.738 -0.453 0.000 0.965 374 Q HN 0.680 nan 8.270 nan 0.000 0.480 375 H N -0.766 118.419 119.070 0.192 0.000 2.539 375 H HA 0.239 4.795 4.556 0.000 0.000 0.332 375 H C -1.550 173.958 175.328 0.301 0.000 1.031 375 H CA -0.642 55.509 56.048 0.173 0.000 1.206 375 H CB 0.625 30.481 29.762 0.157 0.000 1.446 375 H HN 0.038 nan 8.280 nan 0.000 0.496 376 F N 1.979 121.913 119.950 -0.027 0.000 2.469 376 F HA 0.632 5.159 4.527 -0.000 0.000 0.332 376 F C -0.280 175.354 175.800 -0.277 0.000 1.103 376 F CA -0.361 57.363 58.000 -0.459 0.000 0.979 376 F CB 1.814 40.269 39.000 -0.909 0.000 1.137 376 F HN 0.571 nan 8.300 nan 0.000 0.463 377 G N 2.312 110.400 108.800 -1.187 0.000 2.760 377 G HA2 0.452 4.412 3.960 -0.000 0.000 0.296 377 G HA3 0.452 4.412 3.960 -0.000 0.000 0.296 377 G C -1.902 172.500 174.900 -0.830 0.000 1.427 377 G CA -0.734 43.938 45.100 -0.714 0.000 1.109 377 G HN 0.709 nan 8.290 nan 0.000 0.553 378 S N 1.274 116.646 115.700 -0.547 0.000 2.356 378 S HA 0.569 5.039 4.470 -0.000 0.000 0.171 378 S C 1.052 175.555 174.600 -0.161 0.000 1.399 378 S CA 0.882 58.881 58.200 -0.335 0.000 1.225 378 S CB -0.287 62.756 63.200 -0.262 0.000 1.271 378 S HN 2.538 nan 8.310 nan 0.000 0.427 379 G N 3.664 112.399 108.800 -0.108 0.000 3.377 379 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.304 379 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.304 379 G C 1.085 175.975 174.900 -0.016 0.000 1.366 379 G CA 0.419 45.496 45.100 -0.039 0.000 1.020 379 G HN 1.594 nan 8.290 nan 0.000 0.621 380 A N 0.004 122.825 122.820 0.002 0.000 2.085 380 A HA 0.608 4.928 4.320 -0.000 0.000 0.208 380 A C 1.402 178.996 177.584 0.017 0.000 1.191 380 A CA 1.308 53.353 52.037 0.014 0.000 0.799 380 A CB -0.087 18.929 19.000 0.027 0.000 0.877 380 A HN 0.599 nan 8.150 nan 0.000 0.473 381 M N 0.829 120.445 119.600 0.028 0.000 2.228 381 M HA 0.446 4.926 4.480 -0.000 0.000 0.351 381 M C -0.938 175.407 176.300 0.074 0.000 1.233 381 M CA 0.672 56.013 55.300 0.069 0.000 1.129 381 M CB -0.019 32.666 32.600 0.142 0.000 1.604 381 M HN 0.137 nan 8.290 nan 0.000 0.457 382 L N 3.030 124.312 121.223 0.098 0.000 2.464 382 L HA 0.474 4.814 4.340 -0.000 0.000 0.266 382 L C -1.147 175.827 176.870 0.173 0.000 0.965 382 L CA -0.524 54.383 54.840 0.113 0.000 0.833 382 L CB 2.239 44.329 42.059 0.052 0.000 1.296 382 L HN 0.758 nan 8.230 nan 0.000 0.405 383 H N 1.447 120.551 119.070 0.058 0.000 3.099 383 H HA 0.479 5.035 4.556 -0.000 0.000 0.342 383 H C -1.877 173.425 175.328 -0.044 0.000 1.054 383 H CA -0.540 55.472 56.048 -0.061 0.000 1.328 383 H CB 1.756 31.365 29.762 -0.256 0.000 1.876 383 H HN 0.435 nan 8.280 nan 0.000 0.495 384 D N 3.096 123.217 120.400 -0.466 0.000 2.269 384 D HA 0.503 5.143 4.640 -0.000 0.000 0.244 384 D C -0.591 175.371 176.300 -0.564 0.000 0.992 384 D CA -0.451 53.328 54.000 -0.368 0.000 0.894 384 D CB 2.566 43.316 40.800 -0.084 0.000 1.248 384 D HN 0.236 nan 8.370 nan 0.000 0.468 385 V N 1.609 121.312 119.914 -0.352 0.000 2.447 385 V HA 0.298 4.418 4.120 -0.000 0.000 0.292 385 V C -0.514 175.497 176.094 -0.139 0.000 1.021 385 V CA -0.746 61.420 62.300 -0.224 0.000 0.850 385 V CB 1.925 33.654 31.823 -0.156 0.000 1.005 385 V HN 0.286 nan 8.190 nan 0.000 0.426 386 V N 5.770 125.623 119.914 -0.101 0.000 2.326 386 V HA 0.456 4.576 4.120 -0.000 0.000 0.281 386 V C 0.147 176.214 176.094 -0.044 0.000 1.015 386 V CA -0.514 61.742 62.300 -0.073 0.000 0.823 386 V CB 1.551 33.336 31.823 -0.063 0.000 1.009 386 V HN 0.722 nan 8.190 nan 0.000 0.436 387 M N 3.209 122.791 119.600 -0.030 0.000 2.250 387 M HA 0.542 5.022 4.480 -0.000 0.000 0.344 387 M C 1.031 177.318 176.300 -0.022 0.000 1.150 387 M CA 0.856 56.142 55.300 -0.023 0.000 1.147 387 M CB 0.615 33.210 32.600 -0.008 0.000 1.498 387 M HN 0.948 nan 8.290 nan 0.000 0.461 388 G N 1.307 110.088 108.800 -0.031 0.000 2.593 388 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.237 388 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.237 388 G C -0.317 174.568 174.900 -0.025 0.000 1.312 388 G CA -0.351 44.730 45.100 -0.031 0.000 0.896 388 G HN 1.154 nan 8.290 nan 0.000 0.574 389 V N -1.080 118.823 119.914 -0.019 0.000 2.872 389 V HA 0.462 4.582 4.120 -0.000 0.000 0.307 389 V C -0.099 175.988 176.094 -0.012 0.000 1.072 389 V CA 0.131 62.422 62.300 -0.015 0.000 1.148 389 V CB 0.985 32.802 31.823 -0.010 0.000 0.954 389 V HN 0.776 nan 8.190 nan 0.000 0.490 390 P HA -0.091 nan 4.420 nan 0.000 0.222 390 P C 1.033 178.332 177.300 -0.002 0.000 1.147 390 P CA 1.158 64.253 63.100 -0.009 0.000 0.790 390 P CB 0.268 31.964 31.700 -0.007 0.000 0.780 391 E N -0.226 119.973 120.200 -0.001 0.000 2.409 391 E HA -0.108 4.242 4.350 -0.000 0.000 0.198 391 E C 1.675 178.281 176.600 0.009 0.000 1.024 391 E CA 0.490 56.892 56.400 0.002 0.000 0.861 391 E CB -0.884 28.815 29.700 -0.001 0.000 0.788 391 E HN 0.244 nan 8.360 nan 0.000 0.521 392 N N 0.165 118.870 118.700 0.007 0.000 2.364 392 N HA -0.086 4.654 4.740 -0.000 0.000 0.183 392 N C 0.350 175.867 175.510 0.012 0.000 1.022 392 N CA 0.243 53.300 53.050 0.013 0.000 0.883 392 N CB -0.145 38.346 38.487 0.007 0.000 0.965 392 N HN 0.090 nan 8.380 nan 0.000 0.438 393 V N 1.995 121.915 119.914 0.009 0.000 2.617 393 V HA -0.024 4.096 4.120 -0.000 0.000 0.304 393 V C 0.140 176.272 176.094 0.062 0.000 1.040 393 V CA 0.225 62.537 62.300 0.020 0.000 1.149 393 V CB -0.051 31.799 31.823 0.044 0.000 0.914 393 V HN 0.032 nan 8.190 nan 0.000 0.487 394 L N 5.565 126.848 121.223 0.100 0.000 2.304 394 L HA 0.553 4.893 4.340 -0.000 0.000 0.268 394 L C -0.018 176.980 176.870 0.214 0.000 1.010 394 L CA -1.032 53.879 54.840 0.117 0.000 0.813 394 L CB 1.361 43.464 42.059 0.073 0.000 1.315 394 L HN 0.455 nan 8.230 nan 0.000 0.445 395 Q N 1.844 121.708 119.800 0.107 0.000 2.373 395 Q HA 0.244 4.584 4.340 -0.000 0.000 0.255 395 Q C -2.239 173.821 176.000 0.100 0.000 0.980 395 Q CA -1.521 54.324 55.803 0.070 0.000 0.882 395 Q CB 0.567 29.319 28.738 0.023 0.000 1.249 395 Q HN 0.244 nan 8.270 nan 0.000 0.438 396 P HA 0.115 nan 4.420 nan 0.000 0.274 396 P C -0.464 176.922 177.300 0.144 0.000 1.246 396 P CA -0.205 62.937 63.100 0.069 0.000 0.795 396 P CB 0.910 32.545 31.700 -0.109 0.000 1.006 397 T N -0.390 114.288 114.554 0.207 0.000 2.906 397 T HA 0.214 4.564 4.350 -0.000 0.000 0.295 397 T C -0.925 173.948 174.700 0.288 0.000 1.061 397 T CA -0.486 61.782 62.100 0.280 0.000 1.000 397 T CB 0.502 69.572 68.868 0.337 0.000 1.103 397 T HN 0.368 nan 8.240 nan 0.000 0.486 398 H N 4.974 124.198 119.070 0.258 0.000 2.690 398 H HA 0.265 4.821 4.556 -0.000 0.000 0.314 398 H C -1.669 173.849 175.328 0.316 0.000 1.069 398 H CA -1.819 54.388 56.048 0.265 0.000 1.436 398 H CB 1.961 31.906 29.762 0.306 0.000 1.462 398 H HN 0.405 nan 8.280 nan 0.000 0.511 399 P HA -0.099 nan 4.420 nan 0.000 0.226 399 P C 1.228 178.767 177.300 0.399 0.000 1.153 399 P CA 0.456 63.679 63.100 0.205 0.000 0.777 399 P CB 0.708 32.371 31.700 -0.062 0.000 0.794 400 V N -1.805 118.394 119.914 0.475 0.000 2.492 400 V HA -0.071 4.049 4.120 -0.000 0.000 0.241 400 V C 2.060 178.344 176.094 0.317 0.000 1.041 400 V CA 1.435 63.885 62.300 0.249 0.000 1.057 400 V CB -0.997 30.790 31.823 -0.059 0.000 0.711 400 V HN -0.030 nan 8.190 nan 0.000 0.468 401 Y N -0.783 119.857 120.300 0.567 0.000 2.481 401 Y HA 0.286 4.837 4.550 0.000 0.000 0.258 401 Y C 1.366 177.502 175.900 0.393 0.000 1.103 401 Y CA 0.137 58.485 58.100 0.413 0.000 1.287 401 Y CB 0.073 38.600 38.460 0.112 0.000 1.108 401 Y HN 0.326 nan 8.280 nan 0.000 0.529 402 N N 1.243 120.267 118.700 0.541 0.000 2.740 402 N HA -0.201 4.539 4.740 -0.000 0.000 0.248 402 N C -0.754 174.704 175.510 -0.087 0.000 1.062 402 N CA 0.982 54.169 53.050 0.229 0.000 0.704 402 N CB -1.405 37.068 38.487 -0.023 0.000 0.968 402 N HN 0.650 nan 8.380 nan 0.000 0.547 403 I N -4.497 116.160 120.570 0.145 0.000 3.239 403 I HA 0.759 4.929 4.170 -0.000 0.000 0.314 403 I C 1.048 177.329 176.117 0.273 0.000 1.126 403 I CA -1.029 60.349 61.300 0.130 0.000 0.973 403 I CB 1.314 39.364 38.000 0.084 0.000 1.252 403 I HN -0.004 nan 8.210 nan 0.000 0.463 404 G N 1.840 110.785 108.800 0.242 0.000 2.305 404 G HA2 0.267 4.227 3.960 -0.000 0.000 0.243 404 G HA3 0.267 4.227 3.960 -0.000 0.000 0.243 404 G C -1.928 173.079 174.900 0.179 0.000 1.288 404 G CA -0.687 44.529 45.100 0.194 0.000 0.901 404 G HN 0.596 nan 8.290 nan 0.000 0.516 405 P HA -0.151 nan 4.420 nan 0.000 0.217 405 P C 1.590 178.977 177.300 0.144 0.000 1.148 405 P CA 1.568 64.820 63.100 0.253 0.000 0.828 405 P CB 0.217 32.049 31.700 0.219 0.000 0.783 406 D N -0.525 119.935 120.400 0.099 0.000 2.117 406 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 406 D C 1.483 177.814 176.300 0.052 0.000 0.982 406 D CA 1.220 55.259 54.000 0.065 0.000 0.828 406 D CB -0.684 40.145 40.800 0.049 0.000 0.967 406 D HN 0.068 nan 8.370 nan 0.000 0.464 407 K N 0.740 121.172 120.400 0.053 0.000 2.148 407 K HA -0.007 4.313 4.320 -0.000 0.000 0.204 407 K C 2.441 179.042 176.600 0.002 0.000 1.050 407 K CA 0.269 56.580 56.287 0.040 0.000 0.942 407 K CB -0.565 31.960 32.500 0.042 0.000 0.724 407 K HN 0.172 nan 8.250 nan 0.000 0.446 408 V N 1.955 121.845 119.914 -0.041 0.000 2.261 408 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 408 V C 2.391 178.426 176.094 -0.098 0.000 1.047 408 V CA 1.576 63.774 62.300 -0.170 0.000 1.015 408 V CB -0.390 31.267 31.823 -0.275 0.000 0.642 408 V HN 0.176 nan 8.190 nan 0.000 0.446 409 I N -0.379 120.179 120.570 -0.020 0.000 2.163 409 I HA -0.355 3.815 4.170 -0.000 0.000 0.243 409 I C 2.677 178.796 176.117 0.005 0.000 1.085 409 I CA 2.092 63.396 61.300 0.007 0.000 1.347 409 I CB -0.484 37.539 38.000 0.037 0.000 1.044 409 I HN 0.405 nan 8.210 nan 0.000 0.408 410 Q N 0.915 120.729 119.800 0.022 0.000 2.030 410 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 410 Q C 2.335 178.336 176.000 0.002 0.000 0.986 410 Q CA 2.337 58.164 55.803 0.039 0.000 0.843 410 Q CB -0.147 28.641 28.738 0.083 0.000 0.904 410 Q HN 0.562 nan 8.270 nan 0.000 0.420 411 A N 0.298 123.127 122.820 0.016 0.000 1.858 411 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 411 A C 2.309 179.892 177.584 -0.001 0.000 1.190 411 A CA 2.392 54.402 52.037 -0.046 0.000 0.617 411 A CB -1.432 17.631 19.000 0.104 0.000 0.827 411 A HN 0.709 nan 8.150 nan 0.000 0.443 412 T N -2.870 111.684 114.554 0.000 0.000 2.684 412 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 412 T C 1.837 176.547 174.700 0.016 0.000 1.036 412 T CA 2.269 64.383 62.100 0.023 0.000 1.148 412 T CB -1.289 67.568 68.868 -0.018 0.000 0.863 412 T HN 0.330 nan 8.240 nan 0.000 0.436 413 T N 0.919 115.463 114.554 -0.017 0.000 2.652 413 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 413 T C 1.705 176.351 174.700 -0.090 0.000 1.039 413 T CA 1.978 64.056 62.100 -0.036 0.000 1.153 413 T CB -0.713 68.140 68.868 -0.025 0.000 0.863 413 T HN 0.814 nan 8.240 nan 0.000 0.428 414 H N 0.059 118.962 119.070 -0.278 0.000 2.319 414 H HA -0.061 4.495 4.556 -0.000 0.000 0.299 414 H C 1.766 176.813 175.328 -0.468 0.000 1.092 414 H CA 1.754 57.520 56.048 -0.469 0.000 1.302 414 H CB -0.467 28.754 29.762 -0.902 0.000 1.373 414 H HN 0.431 nan 8.280 nan 0.000 0.497 415 F N -0.262 119.577 119.950 -0.185 0.000 2.558 415 F HA 0.022 4.549 4.527 0.000 0.000 0.298 415 F C 2.017 177.719 175.800 -0.163 0.000 1.119 415 F CA 0.210 58.110 58.000 -0.167 0.000 1.451 415 F CB 0.076 39.023 39.000 -0.088 0.000 1.091 415 F HN 0.144 nan 8.300 nan 0.000 0.563 416 L N -0.243 120.979 121.223 -0.002 0.000 2.456 416 L HA -0.175 4.165 4.340 -0.000 0.000 0.224 416 L C 1.919 178.735 176.870 -0.089 0.000 1.148 416 L CA 0.895 55.717 54.840 -0.031 0.000 0.825 416 L CB -0.451 41.593 42.059 -0.026 0.000 0.937 416 L HN 0.232 nan 8.230 nan 0.000 0.450 417 Q N -0.314 119.385 119.800 -0.168 0.000 2.435 417 Q HA -0.014 4.326 4.340 -0.000 0.000 0.207 417 Q C 0.054 175.956 176.000 -0.164 0.000 0.956 417 Q CA 0.618 56.306 55.803 -0.192 0.000 0.917 417 Q CB 0.280 28.840 28.738 -0.298 0.000 0.997 417 Q HN 0.310 nan 8.270 nan 0.000 0.497 418 K N 1.493 121.816 120.400 -0.129 0.000 2.156 418 K HA 0.422 4.742 4.320 -0.000 0.000 0.250 418 K C -2.530 174.008 176.600 -0.104 0.000 0.955 418 K CA -2.052 54.178 56.287 -0.095 0.000 0.855 418 K CB 1.030 33.520 32.500 -0.017 0.000 1.101 418 K HN -0.144 nan 8.250 nan 0.000 0.434 419 P HA 0.163 nan 4.420 nan 0.000 0.288 419 P C -0.180 177.037 177.300 -0.138 0.000 1.267 419 P CA -0.640 62.322 63.100 -0.230 0.000 0.815 419 P CB 0.769 32.151 31.700 -0.530 0.000 0.989 420 V N 4.791 124.656 119.914 -0.082 0.000 2.583 420 V HA -0.059 4.061 4.120 -0.000 0.000 0.302 420 V C -1.779 174.329 176.094 0.024 0.000 1.033 420 V CA -0.434 61.859 62.300 -0.011 0.000 1.194 420 V CB -1.158 30.676 31.823 0.018 0.000 0.879 420 V HN 0.588 nan 8.190 nan 0.000 0.482 421 P HA 0.066 nan 4.420 nan 0.000 0.259 421 P C 1.011 178.406 177.300 0.158 0.000 1.163 421 P CA 1.793 64.957 63.100 0.107 0.000 0.760 421 P CB 0.211 31.963 31.700 0.087 0.000 0.762 422 G N 2.030 110.980 108.800 0.250 0.000 2.176 422 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.253 422 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.253 422 G C 0.349 175.491 174.900 0.403 0.000 0.979 422 G CA -0.164 45.077 45.100 0.236 0.000 0.641 422 G HN 0.560 nan 8.290 nan 0.000 0.530 423 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 0.014 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