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 3mxl_1_B DATA FIRST_RESID 1 DATA SEQUENCE MAADLRAPLT PAGRTVVDLL AGVIPRISAE AADRDRTGTF PVEAFEQFAK DATA SEQUENCE LGLMGATVPA ELGGLGLTRL YDVATALMRL AEADASTALA WHVQLSRGLT DATA SEQUENCE LTYEWQHGTP PVRAMAERLL RAMAEGEAAV CGALKDAPGV VTXXXXXXXX DATA SEQUENCE XWLLSGRKVL VSMAPIATHF FVHAQRXXXX XXXXLAVPVV HRDAPGLTVL DATA SEQUENCE DNWDGLGMRA SGTLEVVFDR CPVRADELXX XXXXXARRDA VLAGQTVSSI DATA SEQUENCE TMLGIYAGIA QAARDIAVGF CAGRGGEPRA GARALVAGLD TRLYALRTTV DATA SEQUENCE GAALTNADAA SVDLSGDPDE RGRRMMTPFQ YAKMTVNELA PAVVDDCLSL DATA SEQUENCE VGGLAYTAGH PLSRLYRDVR AGGFMQPYSY VDAVDYLSGQ ALGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.310 176.300 0.016 0.000 1.140 1 M CA 0.000 55.302 55.300 0.004 0.000 0.988 1 M CB 0.000 32.594 32.600 -0.010 0.000 1.302 2 A N 0.415 123.238 122.820 0.005 0.000 1.889 2 A HA 0.741 5.061 4.320 -0.000 0.000 0.204 2 A C 0.537 178.121 177.584 0.000 0.000 1.739 2 A CA 0.787 52.840 52.037 0.026 0.000 1.589 2 A CB -0.748 18.284 19.000 0.054 0.000 1.485 2 A HN 2.564 nan 8.150 nan 0.000 0.472 3 A N 0.388 123.200 122.820 -0.013 0.000 3.009 3 A HA -0.068 4.252 4.320 -0.000 0.000 0.264 3 A C 0.089 177.723 177.584 0.082 0.000 1.408 3 A CA 1.765 53.771 52.037 -0.052 0.000 0.789 3 A CB -2.341 16.568 19.000 -0.152 0.000 1.040 3 A HN 1.542 nan 8.150 nan 0.000 0.576 4 D N -1.034 119.433 120.400 0.112 0.000 2.571 4 D HA 0.412 5.052 4.640 -0.000 0.000 0.239 4 D C 0.781 177.117 176.300 0.059 0.000 1.267 4 D CA 0.155 54.163 54.000 0.015 0.000 0.823 4 D CB -0.780 39.936 40.800 -0.141 0.000 1.056 4 D HN 1.141 nan 8.370 nan 0.000 0.494 5 L N -2.748 118.579 121.223 0.173 0.000 4.696 5 L HA -0.369 3.971 4.340 -0.000 0.000 0.425 5 L C 2.240 179.107 176.870 -0.006 0.000 1.115 5 L CA 0.804 55.626 54.840 -0.029 0.000 0.996 5 L CB -2.252 39.755 42.059 -0.086 0.000 2.077 5 L HN 0.364 nan 8.230 nan 0.000 0.792 6 R N 0.375 120.910 120.500 0.059 0.000 2.082 6 R HA 0.435 4.775 4.340 -0.000 0.000 0.234 6 R C 1.022 177.348 176.300 0.044 0.000 1.136 6 R CA 2.322 58.452 56.100 0.049 0.000 0.935 6 R CB -0.523 29.817 30.300 0.066 0.000 0.842 6 R HN 0.928 nan 8.270 nan 0.000 0.430 7 A N -0.214 122.650 122.820 0.074 0.000 2.549 7 A HA 0.685 5.005 4.320 -0.000 0.000 0.297 7 A C -2.863 174.782 177.584 0.102 0.000 1.061 7 A CA -1.514 50.561 52.037 0.064 0.000 0.690 7 A CB 1.785 20.823 19.000 0.064 0.000 1.287 7 A HN 0.291 nan 8.150 nan 0.000 0.402 8 P HA 0.300 nan 4.420 nan 0.000 0.272 8 P C -0.065 177.320 177.300 0.141 0.000 1.230 8 P CA -0.158 62.998 63.100 0.094 0.000 0.788 8 P CB 0.863 32.587 31.700 0.040 0.000 0.949 9 L N 0.221 121.552 121.223 0.179 0.000 2.296 9 L HA 0.143 4.483 4.340 -0.000 0.000 0.193 9 L C 1.619 178.537 176.870 0.080 0.000 1.123 9 L CA 1.343 56.257 54.840 0.123 0.000 0.805 9 L CB -1.502 40.625 42.059 0.114 0.000 1.004 9 L HN 0.412 nan 8.230 nan 0.000 0.478 10 T N 2.490 117.092 114.554 0.080 0.000 2.933 10 T HA -0.000 4.350 4.350 -0.000 0.000 0.306 10 T C -1.458 173.271 174.700 0.049 0.000 1.045 10 T CA -0.968 61.166 62.100 0.057 0.000 1.143 10 T CB 0.611 69.511 68.868 0.054 0.000 1.003 10 T HN 0.073 nan 8.240 nan 0.000 0.540 11 P HA -0.023 nan 4.420 nan 0.000 0.222 11 P C 1.255 178.576 177.300 0.035 0.000 1.147 11 P CA 1.050 64.171 63.100 0.036 0.000 0.790 11 P CB -0.087 31.631 31.700 0.030 0.000 0.780 12 A N 0.681 123.522 122.820 0.035 0.000 1.898 12 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 12 A C 2.538 180.143 177.584 0.036 0.000 1.181 12 A CA 1.875 53.932 52.037 0.033 0.000 0.620 12 A CB -1.767 17.250 19.000 0.030 0.000 0.819 12 A HN 0.319 nan 8.150 nan 0.000 0.442 13 G N -1.278 107.545 108.800 0.038 0.000 2.712 13 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.212 13 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.212 13 G C 1.562 176.488 174.900 0.043 0.000 1.142 13 G CA 0.300 45.423 45.100 0.039 0.000 0.789 13 G HN 0.528 nan 8.290 nan 0.000 0.535 14 R N -0.115 120.411 120.500 0.043 0.000 2.236 14 R HA 0.032 4.372 4.340 -0.000 0.000 0.208 14 R C 2.076 178.399 176.300 0.039 0.000 1.036 14 R CA 1.151 57.276 56.100 0.041 0.000 1.001 14 R CB -0.040 30.284 30.300 0.039 0.000 0.896 14 R HN 0.189 nan 8.270 nan 0.000 0.464 15 T N 0.058 114.636 114.554 0.040 0.000 3.054 15 T HA 0.018 4.368 4.350 -0.000 0.000 0.259 15 T C 1.810 176.539 174.700 0.048 0.000 1.092 15 T CA 0.509 62.633 62.100 0.039 0.000 1.121 15 T CB 0.286 69.176 68.868 0.036 0.000 0.912 15 T HN -0.019 nan 8.240 nan 0.000 0.489 16 V N 0.997 120.948 119.914 0.062 0.000 2.591 16 V HA -0.035 4.085 4.120 -0.000 0.000 0.249 16 V C 2.552 178.697 176.094 0.085 0.000 1.053 16 V CA 0.805 63.160 62.300 0.092 0.000 1.068 16 V CB -0.519 31.384 31.823 0.134 0.000 0.689 16 V HN 0.294 nan 8.190 nan 0.000 0.462 17 V N 2.138 122.092 119.914 0.066 0.000 2.307 17 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 17 V C 2.340 178.453 176.094 0.033 0.000 1.045 17 V CA 2.331 64.662 62.300 0.052 0.000 1.024 17 V CB -0.781 31.066 31.823 0.040 0.000 0.651 17 V HN 0.827 nan 8.190 nan 0.000 0.449 18 D N -0.064 120.353 120.400 0.029 0.000 2.224 18 D HA -0.140 4.500 4.640 -0.000 0.000 0.205 18 D C 1.928 178.236 176.300 0.014 0.000 0.965 18 D CA 0.937 54.948 54.000 0.019 0.000 0.852 18 D CB -0.489 40.322 40.800 0.018 0.000 0.947 18 D HN 0.374 nan 8.370 nan 0.000 0.494 19 L N -0.553 120.683 121.223 0.021 0.000 2.201 19 L HA -0.011 4.329 4.340 -0.000 0.000 0.212 19 L C 2.064 178.941 176.870 0.011 0.000 1.105 19 L CA 0.396 55.248 54.840 0.019 0.000 0.775 19 L CB -0.157 41.922 42.059 0.034 0.000 0.913 19 L HN 0.136 nan 8.230 nan 0.000 0.440 20 L N -0.264 120.962 121.223 0.006 0.000 2.270 20 L HA 0.061 4.401 4.340 -0.000 0.000 0.210 20 L C 2.555 179.414 176.870 -0.018 0.000 1.104 20 L CA 1.385 56.219 54.840 -0.010 0.000 0.804 20 L CB -0.496 41.538 42.059 -0.042 0.000 0.937 20 L HN 0.089 nan 8.230 nan 0.000 0.450 21 A N -0.582 122.232 122.820 -0.010 0.000 2.076 21 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 21 A C 2.198 179.764 177.584 -0.029 0.000 1.160 21 A CA 1.481 53.509 52.037 -0.015 0.000 0.653 21 A CB -1.244 17.753 19.000 -0.005 0.000 0.801 21 A HN 0.502 nan 8.150 nan 0.000 0.455 22 G N -1.433 107.346 108.800 -0.035 0.000 2.551 22 G HA2 0.152 4.112 3.960 -0.000 0.000 0.216 22 G HA3 0.152 4.112 3.960 -0.000 0.000 0.216 22 G C 1.113 175.963 174.900 -0.085 0.000 1.137 22 G CA 1.052 46.121 45.100 -0.051 0.000 0.798 22 G HN 0.366 nan 8.290 nan 0.000 0.536 23 V N 1.139 120.989 119.914 -0.106 0.000 3.644 23 V HA 0.131 4.251 4.120 -0.000 0.000 0.267 23 V C 2.424 178.428 176.094 -0.150 0.000 1.277 23 V CA -0.178 62.012 62.300 -0.183 0.000 1.096 23 V CB 0.065 31.694 31.823 -0.323 0.000 0.828 23 V HN 0.145 nan 8.190 nan 0.000 0.446 24 I N 1.818 122.333 120.570 -0.092 0.000 2.099 24 I HA -0.122 4.048 4.170 -0.000 0.000 0.239 24 I C 0.555 176.630 176.117 -0.070 0.000 1.066 24 I CA 1.874 63.132 61.300 -0.070 0.000 1.324 24 I CB -2.474 35.502 38.000 -0.041 0.000 1.037 24 I HN 0.312 nan 8.210 nan 0.000 0.401 25 P HA -0.232 nan 4.420 nan 0.000 0.215 25 P C 1.706 178.966 177.300 -0.067 0.000 1.157 25 P CA 2.932 66.000 63.100 -0.054 0.000 0.874 25 P CB -0.318 31.354 31.700 -0.046 0.000 0.790 26 R N 0.013 120.460 120.500 -0.088 0.000 2.103 26 R HA -0.156 4.184 4.340 -0.000 0.000 0.242 26 R C 2.243 178.478 176.300 -0.107 0.000 1.142 26 R CA 2.078 58.117 56.100 -0.101 0.000 0.960 26 R CB -2.194 28.026 30.300 -0.133 0.000 0.858 26 R HN 0.317 nan 8.270 nan 0.000 0.439 27 I N -0.391 120.105 120.570 -0.123 0.000 2.852 27 I HA 0.091 4.261 4.170 -0.000 0.000 0.264 27 I C 2.367 178.437 176.117 -0.079 0.000 1.179 27 I CA 1.472 62.701 61.300 -0.119 0.000 1.480 27 I CB 0.095 38.005 38.000 -0.150 0.000 1.111 27 I HN 0.307 nan 8.210 nan 0.000 0.441 28 S N 0.232 115.893 115.700 -0.064 0.000 2.447 28 S HA -0.017 4.453 4.470 -0.000 0.000 0.233 28 S C 2.151 176.729 174.600 -0.035 0.000 1.006 28 S CA 1.133 59.308 58.200 -0.042 0.000 0.957 28 S CB -0.373 62.807 63.200 -0.033 0.000 0.773 28 S HN 0.590 nan 8.310 nan 0.000 0.507 29 A N 0.928 123.723 122.820 -0.042 0.000 1.935 29 A HA 0.175 4.495 4.320 -0.000 0.000 0.214 29 A C 1.868 179.432 177.584 -0.033 0.000 1.178 29 A CA 0.838 52.854 52.037 -0.035 0.000 0.640 29 A CB -0.362 18.616 19.000 -0.037 0.000 0.825 29 A HN 0.635 nan 8.150 nan 0.000 0.447 30 E N 0.139 120.314 120.200 -0.042 0.000 2.481 30 E HA 0.129 4.479 4.350 -0.000 0.000 0.195 30 E C 2.010 178.592 176.600 -0.030 0.000 1.047 30 E CA 0.321 56.699 56.400 -0.037 0.000 0.867 30 E CB -0.132 29.539 29.700 -0.048 0.000 0.858 30 E HN 0.602 nan 8.360 nan 0.000 0.513 31 A N 1.960 124.762 122.820 -0.030 0.000 1.859 31 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 31 A C 2.462 180.044 177.584 -0.003 0.000 1.198 31 A CA 2.042 54.067 52.037 -0.019 0.000 0.629 31 A CB -0.823 18.168 19.000 -0.015 0.000 0.830 31 A HN 0.332 nan 8.150 nan 0.000 0.446 32 A N -0.214 122.604 122.820 -0.002 0.000 1.908 32 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 32 A C 1.727 179.315 177.584 0.006 0.000 1.181 32 A CA 2.223 54.263 52.037 0.005 0.000 0.627 32 A CB -0.819 18.180 19.000 -0.001 0.000 0.818 32 A HN 0.553 nan 8.150 nan 0.000 0.445 33 D N -0.746 119.655 120.400 0.001 0.000 2.084 33 D HA -0.099 4.541 4.640 -0.000 0.000 0.196 33 D C 2.211 178.519 176.300 0.013 0.000 0.985 33 D CA 1.342 55.345 54.000 0.004 0.000 0.826 33 D CB -0.263 40.536 40.800 -0.002 0.000 0.978 33 D HN 0.396 nan 8.370 nan 0.000 0.456 34 R N 0.181 120.687 120.500 0.010 0.000 2.127 34 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 34 R C 1.660 177.985 176.300 0.042 0.000 1.134 34 R CA 1.355 57.468 56.100 0.022 0.000 0.975 34 R CB -0.212 30.089 30.300 0.002 0.000 0.865 34 R HN 0.255 nan 8.270 nan 0.000 0.447 35 D N 0.371 120.794 120.400 0.037 0.000 2.117 35 D HA -0.136 4.504 4.640 -0.000 0.000 0.198 35 D C 2.023 178.350 176.300 0.045 0.000 0.982 35 D CA 0.997 55.029 54.000 0.052 0.000 0.828 35 D CB 0.142 40.969 40.800 0.044 0.000 0.967 35 D HN 0.010 nan 8.370 nan 0.000 0.464 36 R N -0.672 119.846 120.500 0.030 0.000 2.081 36 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 36 R C 2.225 178.540 176.300 0.026 0.000 1.131 36 R CA 2.003 58.116 56.100 0.022 0.000 0.960 36 R CB -0.388 29.920 30.300 0.013 0.000 0.856 36 R HN 0.387 nan 8.270 nan 0.000 0.436 37 T N -3.693 110.880 114.554 0.033 0.000 2.937 37 T HA 0.114 4.464 4.350 -0.000 0.000 0.260 37 T C 1.177 175.912 174.700 0.058 0.000 1.051 37 T CA 0.704 62.827 62.100 0.039 0.000 1.141 37 T CB 0.111 69.002 68.868 0.039 0.000 0.879 37 T HN 0.400 nan 8.240 nan 0.000 0.459 38 G N 2.029 110.876 108.800 0.078 0.000 2.370 38 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.268 38 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.268 38 G C -0.016 174.970 174.900 0.144 0.000 1.122 38 G CA 0.008 45.181 45.100 0.122 0.000 0.963 38 G HN 1.279 nan 8.290 nan 0.000 0.500 39 T N -1.754 112.876 114.554 0.126 0.000 2.815 39 T HA 0.609 4.959 4.350 -0.000 0.000 0.289 39 T C 0.019 174.821 174.700 0.169 0.000 1.000 39 T CA -0.877 61.311 62.100 0.145 0.000 0.958 39 T CB 1.786 70.715 68.868 0.102 0.000 0.944 39 T HN 1.053 nan 8.240 nan 0.000 0.442 40 F N 6.041 126.042 119.950 0.084 0.000 2.629 40 F HA 0.281 4.808 4.527 -0.000 0.000 0.377 40 F C -1.475 174.383 175.800 0.097 0.000 1.101 40 F CA -1.609 56.448 58.000 0.095 0.000 1.301 40 F CB 0.806 39.850 39.000 0.074 0.000 1.062 40 F HN 0.423 nan 8.300 nan 0.000 0.583 41 P HA 0.029 nan 4.420 nan 0.000 0.237 41 P C 0.749 178.094 177.300 0.075 0.000 1.788 41 P CA 0.119 63.122 63.100 -0.162 0.000 1.061 41 P CB 0.307 31.853 31.700 -0.256 0.000 1.967 42 V N 2.804 122.910 119.914 0.319 0.000 2.233 42 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 42 V C 2.780 179.003 176.094 0.215 0.000 1.050 42 V CA 2.403 64.921 62.300 0.363 0.000 1.010 42 V CB -1.025 30.941 31.823 0.237 0.000 0.637 42 V HN 0.405 nan 8.190 nan 0.000 0.444 43 E N 1.532 121.798 120.200 0.109 0.000 2.204 43 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 43 E C 2.090 178.681 176.600 -0.014 0.000 0.989 43 E CA 1.556 57.983 56.400 0.045 0.000 0.824 43 E CB -0.419 29.290 29.700 0.013 0.000 0.756 43 E HN 0.541 nan 8.360 nan 0.000 0.477 44 A N 0.475 123.270 122.820 -0.041 0.000 2.014 44 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 44 A C 1.819 179.236 177.584 -0.277 0.000 1.163 44 A CA 0.658 52.584 52.037 -0.184 0.000 0.652 44 A CB -0.580 18.304 19.000 -0.192 0.000 0.808 44 A HN 0.230 nan 8.150 nan 0.000 0.449 45 F N 1.137 121.001 119.950 -0.142 0.000 2.219 45 F HA -0.006 4.521 4.527 -0.000 0.000 0.294 45 F C 2.406 178.247 175.800 0.069 0.000 1.086 45 F CA 1.306 59.321 58.000 0.025 0.000 1.330 45 F CB -0.184 38.953 39.000 0.229 0.000 1.047 45 F HN 0.532 nan 8.300 nan 0.000 0.495 46 E N -0.385 119.995 120.200 0.299 0.000 2.268 46 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 46 E C 1.941 178.595 176.600 0.089 0.000 0.995 46 E CA 1.067 57.589 56.400 0.203 0.000 0.836 46 E CB -0.824 28.948 29.700 0.120 0.000 0.763 46 E HN 0.553 nan 8.360 nan 0.000 0.491 47 Q N -0.366 119.396 119.800 -0.065 0.000 2.364 47 Q HA -0.138 4.202 4.340 -0.000 0.000 0.209 47 Q C 1.130 177.049 176.000 -0.135 0.000 0.977 47 Q CA 0.901 56.612 55.803 -0.153 0.000 0.885 47 Q CB -0.044 28.523 28.738 -0.285 0.000 0.941 47 Q HN 0.320 nan 8.270 nan 0.000 0.464 48 F N -0.189 119.736 119.950 -0.042 0.000 2.163 48 F HA -0.018 4.509 4.527 -0.000 0.000 0.297 48 F C 2.370 178.172 175.800 0.003 0.000 1.094 48 F CA 0.931 58.880 58.000 -0.085 0.000 1.290 48 F CB -0.882 38.025 39.000 -0.155 0.000 1.017 48 F HN 0.126 nan 8.300 nan 0.000 0.483 49 A N 0.452 123.426 122.820 0.257 0.000 1.940 49 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 49 A C 2.395 180.041 177.584 0.103 0.000 1.176 49 A CA 2.600 54.737 52.037 0.167 0.000 0.631 49 A CB -1.243 17.842 19.000 0.141 0.000 0.814 49 A HN 0.323 nan 8.150 nan 0.000 0.446 50 K N -0.724 119.721 120.400 0.075 0.000 2.032 50 K HA -0.014 4.306 4.320 -0.000 0.000 0.209 50 K C 1.841 178.465 176.600 0.040 0.000 1.048 50 K CA 1.883 58.193 56.287 0.038 0.000 0.927 50 K CB -0.966 31.538 32.500 0.007 0.000 0.712 50 K HN 0.363 nan 8.250 nan 0.000 0.441 51 L N -1.712 119.544 121.223 0.054 0.000 2.127 51 L HA 0.295 4.635 4.340 -0.000 0.000 0.203 51 L C 2.167 179.077 176.870 0.067 0.000 1.080 51 L CA 1.839 56.711 54.840 0.053 0.000 0.768 51 L CB 0.252 42.345 42.059 0.056 0.000 0.924 51 L HN 0.680 nan 8.230 nan 0.000 0.444 52 G N -2.457 106.400 108.800 0.096 0.000 2.227 52 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.168 52 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.168 52 G C 0.780 175.748 174.900 0.113 0.000 1.006 52 G CA 0.120 45.274 45.100 0.090 0.000 0.684 52 G HN 0.110 nan 8.290 nan 0.000 0.489 53 L N 0.339 121.635 121.223 0.122 0.000 2.131 53 L HA 0.187 4.527 4.340 -0.000 0.000 0.210 53 L C 2.710 179.710 176.870 0.216 0.000 1.092 53 L CA 2.371 57.274 54.840 0.106 0.000 0.759 53 L CB -0.430 41.517 42.059 -0.186 0.000 0.903 53 L HN 0.402 nan 8.230 nan 0.000 0.435 54 M N -0.685 119.037 119.600 0.204 0.000 2.549 54 M HA 0.007 4.487 4.480 -0.000 0.000 0.260 54 M C 1.572 177.995 176.300 0.205 0.000 1.076 54 M CA 1.109 56.582 55.300 0.288 0.000 1.090 54 M CB -0.526 32.247 32.600 0.288 0.000 1.418 54 M HN 0.114 nan 8.290 nan 0.000 0.486 55 G N -1.002 107.887 108.800 0.147 0.000 3.453 55 G HA2 0.539 4.499 3.960 -0.000 0.000 0.263 55 G HA3 0.539 4.499 3.960 -0.000 0.000 0.263 55 G C 0.462 175.393 174.900 0.052 0.000 1.060 55 G CA 0.193 45.338 45.100 0.076 0.000 0.793 55 G HN 0.629 nan 8.290 nan 0.000 0.532 56 A N 0.454 123.329 122.820 0.092 0.000 2.307 56 A HA 0.473 4.793 4.320 -0.000 0.000 0.271 56 A C 1.828 179.397 177.584 -0.025 0.000 1.188 56 A CA 1.193 53.261 52.037 0.050 0.000 0.810 56 A CB -0.523 18.540 19.000 0.104 0.000 1.123 56 A HN 1.610 nan 8.150 nan 0.000 0.509 57 T N -4.580 109.943 114.554 -0.051 0.000 3.978 57 T HA -0.154 4.196 4.350 -0.000 0.000 0.339 57 T C -0.045 174.614 174.700 -0.069 0.000 0.764 57 T CA 0.899 62.953 62.100 -0.077 0.000 1.874 57 T CB -2.652 66.134 68.868 -0.136 0.000 1.901 57 T HN 1.525 nan 8.240 nan 0.000 0.814 58 V N 1.291 121.170 119.914 -0.059 0.000 2.588 58 V HA 0.553 4.673 4.120 -0.000 0.000 0.304 58 V C -2.183 173.859 176.094 -0.087 0.000 1.042 58 V CA -2.346 59.900 62.300 -0.091 0.000 0.877 58 V CB 2.106 33.873 31.823 -0.093 0.000 0.996 58 V HN 0.106 nan 8.190 nan 0.000 0.425 59 P HA -0.044 nan 4.420 nan 0.000 0.263 59 P C 0.610 177.868 177.300 -0.070 0.000 1.168 59 P CA 0.558 63.606 63.100 -0.086 0.000 0.759 59 P CB 0.639 32.236 31.700 -0.171 0.000 0.782 60 A N 3.615 126.424 122.820 -0.018 0.000 1.972 60 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 60 A C 2.102 179.678 177.584 -0.014 0.000 1.169 60 A CA 2.115 54.147 52.037 -0.009 0.000 0.635 60 A CB -1.479 17.528 19.000 0.012 0.000 0.810 60 A HN 0.565 nan 8.150 nan 0.000 0.446 61 E N -0.649 119.547 120.200 -0.007 0.000 2.482 61 E HA 0.222 4.572 4.350 -0.000 0.000 0.196 61 E C 1.550 178.121 176.600 -0.050 0.000 1.047 61 E CA 0.994 57.397 56.400 0.006 0.000 0.869 61 E CB -0.317 29.430 29.700 0.077 0.000 0.836 61 E HN 0.482 nan 8.360 nan 0.000 0.520 62 L N -2.209 118.938 121.223 -0.127 0.000 2.642 62 L HA 0.419 4.759 4.340 -0.000 0.000 0.233 62 L C 2.006 178.804 176.870 -0.121 0.000 1.077 62 L CA 1.519 56.246 54.840 -0.188 0.000 0.879 62 L CB 0.674 42.505 42.059 -0.380 0.000 1.151 62 L HN 0.491 nan 8.230 nan 0.000 0.495 63 G N -1.163 107.586 108.800 -0.085 0.000 4.213 63 G HA2 0.387 4.347 3.960 -0.000 0.000 0.206 63 G HA3 0.387 4.347 3.960 -0.000 0.000 0.206 63 G C 0.319 175.204 174.900 -0.025 0.000 1.421 63 G CA 0.547 45.617 45.100 -0.050 0.000 0.997 63 G HN 0.418 nan 8.290 nan 0.000 0.456 64 G N -0.737 108.047 108.800 -0.025 0.000 2.350 64 G HA2 0.510 4.470 3.960 -0.000 0.000 0.305 64 G HA3 0.510 4.470 3.960 -0.000 0.000 0.305 64 G C -0.486 174.415 174.900 0.002 0.000 1.479 64 G CA -0.326 44.771 45.100 -0.005 0.000 0.949 64 G HN 1.313 nan 8.290 nan 0.000 0.651 65 L N -1.107 120.124 121.223 0.013 0.000 3.423 65 L HA -0.126 4.214 4.340 -0.000 0.000 0.671 65 L C 1.144 178.020 176.870 0.009 0.000 1.083 65 L CA 0.475 55.328 54.840 0.020 0.000 1.201 65 L CB -0.882 41.199 42.059 0.036 0.000 1.578 65 L HN 1.404 nan 8.230 nan 0.000 0.839 66 G N 3.196 112.002 108.800 0.010 0.000 2.865 66 G HA2 0.417 4.377 3.960 -0.000 0.000 0.292 66 G HA3 0.417 4.377 3.960 -0.000 0.000 0.292 66 G C -0.327 174.580 174.900 0.012 0.000 0.800 66 G CA -0.365 44.739 45.100 0.008 0.000 1.838 66 G HN 0.283 nan 8.290 nan 0.000 0.535 67 L N 3.198 124.420 121.223 -0.000 0.000 2.257 67 L HA 0.556 4.896 4.340 -0.000 0.000 0.290 67 L C 1.268 178.131 176.870 -0.012 0.000 1.044 67 L CA 0.047 54.884 54.840 -0.005 0.000 0.810 67 L CB 1.520 43.567 42.059 -0.020 0.000 1.193 67 L HN 0.353 nan 8.230 nan 0.000 0.425 68 T N 0.360 114.916 114.554 0.005 0.000 2.969 68 T HA 0.254 4.604 4.350 -0.000 0.000 0.258 68 T C 0.831 175.536 174.700 0.009 0.000 0.962 68 T CA -0.414 61.691 62.100 0.008 0.000 0.903 68 T CB -0.074 68.815 68.868 0.034 0.000 1.177 68 T HN 0.269 nan 8.240 nan 0.000 0.511 69 R N 2.160 122.673 120.500 0.021 0.000 2.345 69 R HA 0.435 4.775 4.340 -0.000 0.000 0.331 69 R C 1.196 177.518 176.300 0.037 0.000 1.067 69 R CA -0.837 55.290 56.100 0.045 0.000 0.962 69 R CB -0.894 29.451 30.300 0.075 0.000 0.987 69 R HN 0.342 nan 8.270 nan 0.000 0.451 70 L N 3.598 124.839 121.223 0.029 0.000 2.129 70 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 70 L C 1.440 178.336 176.870 0.045 0.000 1.087 70 L CA 1.364 56.209 54.840 0.010 0.000 0.757 70 L CB -0.460 41.598 42.059 -0.001 0.000 0.896 70 L HN 0.713 nan 8.230 nan 0.000 0.434 71 Y N 1.038 121.327 120.300 -0.017 0.000 2.181 71 Y HA -0.277 4.273 4.550 -0.000 0.000 0.288 71 Y C 2.056 177.952 175.900 -0.006 0.000 1.146 71 Y CA 1.934 60.030 58.100 -0.006 0.000 1.164 71 Y CB -0.135 38.325 38.460 0.000 0.000 0.982 71 Y HN 0.223 nan 8.280 nan 0.000 0.515 72 D N -0.847 119.527 120.400 -0.044 0.000 2.194 72 D HA -0.118 4.522 4.640 -0.000 0.000 0.204 72 D C 2.311 178.533 176.300 -0.131 0.000 0.964 72 D CA 1.188 55.119 54.000 -0.116 0.000 0.846 72 D CB -0.238 40.570 40.800 0.014 0.000 0.962 72 D HN 0.274 nan 8.370 nan 0.000 0.490 73 V N 0.910 120.757 119.914 -0.112 0.000 2.490 73 V HA -0.207 3.913 4.120 -0.000 0.000 0.250 73 V C 2.314 178.311 176.094 -0.161 0.000 1.061 73 V CA 1.798 64.005 62.300 -0.155 0.000 1.064 73 V CB -0.617 31.113 31.823 -0.155 0.000 0.670 73 V HN 0.227 nan 8.190 nan 0.000 0.461 74 A N -0.562 122.167 122.820 -0.152 0.000 1.975 74 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 74 A C 2.351 179.839 177.584 -0.159 0.000 1.170 74 A CA 1.799 53.757 52.037 -0.132 0.000 0.656 74 A CB -0.698 18.236 19.000 -0.110 0.000 0.821 74 A HN 0.470 nan 8.150 nan 0.000 0.449 75 T N 0.439 114.840 114.554 -0.255 0.000 2.833 75 T HA 0.005 4.355 4.350 -0.000 0.000 0.269 75 T C 2.123 176.772 174.700 -0.084 0.000 1.054 75 T CA 1.354 63.320 62.100 -0.224 0.000 1.135 75 T CB -0.286 68.399 68.868 -0.305 0.000 0.869 75 T HN 0.556 nan 8.240 nan 0.000 0.466 76 A N 1.384 124.175 122.820 -0.048 0.000 1.854 76 A HA 0.077 4.397 4.320 -0.000 0.000 0.214 76 A C 2.098 179.763 177.584 0.136 0.000 1.192 76 A CA 0.988 53.072 52.037 0.078 0.000 0.611 76 A CB -0.820 18.247 19.000 0.112 0.000 0.832 76 A HN 0.344 nan 8.150 nan 0.000 0.442 77 L N -0.681 120.576 121.223 0.056 0.000 2.187 77 L HA -0.140 4.200 4.340 -0.000 0.000 0.213 77 L C 2.563 179.457 176.870 0.041 0.000 1.100 77 L CA 2.011 56.897 54.840 0.077 0.000 0.765 77 L CB -0.590 41.463 42.059 -0.010 0.000 0.904 77 L HN 0.597 nan 8.230 nan 0.000 0.437 78 M N -1.751 117.851 119.600 0.004 0.000 2.193 78 M HA -0.119 4.361 4.480 -0.000 0.000 0.265 78 M C 2.337 178.641 176.300 0.007 0.000 1.071 78 M CA 1.192 56.487 55.300 -0.008 0.000 1.140 78 M CB -0.071 32.513 32.600 -0.027 0.000 1.369 78 M HN 0.069 nan 8.290 nan 0.000 0.423 79 R N 0.553 121.065 120.500 0.020 0.000 2.091 79 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 79 R C 2.180 178.495 176.300 0.024 0.000 1.136 79 R CA 1.349 57.462 56.100 0.022 0.000 0.959 79 R CB -1.322 28.996 30.300 0.030 0.000 0.856 79 R HN 0.405 nan 8.270 nan 0.000 0.437 80 L N 0.672 121.925 121.223 0.050 0.000 2.072 80 L HA 0.053 4.393 4.340 -0.000 0.000 0.205 80 L C 2.183 179.063 176.870 0.017 0.000 1.079 80 L CA 1.823 56.685 54.840 0.036 0.000 0.752 80 L CB -0.715 41.395 42.059 0.086 0.000 0.906 80 L HN 0.105 nan 8.230 nan 0.000 0.436 81 A N -0.825 122.003 122.820 0.014 0.000 2.019 81 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 81 A C 2.125 179.699 177.584 -0.018 0.000 1.164 81 A CA 1.625 53.650 52.037 -0.020 0.000 0.644 81 A CB -0.600 18.365 19.000 -0.057 0.000 0.805 81 A HN 0.621 nan 8.150 nan 0.000 0.449 82 E N -0.375 119.822 120.200 -0.005 0.000 2.204 82 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 82 E C 2.154 178.755 176.600 0.001 0.000 0.990 82 E CA 0.772 57.173 56.400 0.002 0.000 0.821 82 E CB -0.174 29.531 29.700 0.008 0.000 0.750 82 E HN 0.679 nan 8.360 nan 0.000 0.477 83 A N 0.920 123.736 122.820 -0.006 0.000 1.844 83 A HA -0.034 4.286 4.320 -0.000 0.000 0.212 83 A C 0.846 178.421 177.584 -0.015 0.000 1.221 83 A CA 0.706 52.734 52.037 -0.014 0.000 0.607 83 A CB 0.379 19.363 19.000 -0.027 0.000 0.878 83 A HN 0.104 nan 8.150 nan 0.000 0.451 84 D N -2.805 117.583 120.400 -0.020 0.000 2.736 84 D HA 0.609 5.249 4.640 -0.000 0.000 0.243 84 D C 0.493 176.783 176.300 -0.018 0.000 1.304 84 D CA 0.238 54.226 54.000 -0.019 0.000 0.934 84 D CB 1.755 42.535 40.800 -0.032 0.000 1.382 84 D HN 0.148 nan 8.370 nan 0.000 0.571 85 A N 2.462 125.269 122.820 -0.022 0.000 1.877 85 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 85 A C 2.070 179.642 177.584 -0.019 0.000 1.186 85 A CA 1.769 53.776 52.037 -0.050 0.000 0.620 85 A CB -0.375 18.580 19.000 -0.075 0.000 0.822 85 A HN 0.537 nan 8.150 nan 0.000 0.443 86 S N -0.340 115.368 115.700 0.012 0.000 2.365 86 S HA -0.211 4.259 4.470 -0.000 0.000 0.225 86 S C 2.304 176.936 174.600 0.053 0.000 1.039 86 S CA 2.259 60.485 58.200 0.044 0.000 1.033 86 S CB -0.766 62.467 63.200 0.055 0.000 0.887 86 S HN 0.924 nan 8.310 nan 0.000 0.447 87 T N 0.649 115.210 114.554 0.012 0.000 2.821 87 T HA 0.084 4.434 4.350 -0.000 0.000 0.267 87 T C 1.880 176.649 174.700 0.116 0.000 1.046 87 T CA 1.176 63.287 62.100 0.018 0.000 1.139 87 T CB -0.518 68.290 68.868 -0.100 0.000 0.871 87 T HN 0.325 nan 8.240 nan 0.000 0.454 88 A N 1.537 124.411 122.820 0.090 0.000 1.933 88 A HA 0.107 4.427 4.320 -0.000 0.000 0.218 88 A C 2.333 180.021 177.584 0.174 0.000 1.175 88 A CA 1.630 53.758 52.037 0.151 0.000 0.628 88 A CB -0.975 18.065 19.000 0.067 0.000 0.814 88 A HN 0.505 nan 8.150 nan 0.000 0.444 89 L N -0.401 120.889 121.223 0.113 0.000 2.083 89 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 89 L C 2.625 179.634 176.870 0.231 0.000 1.083 89 L CA 2.150 57.056 54.840 0.111 0.000 0.752 89 L CB -0.678 41.421 42.059 0.067 0.000 0.899 89 L HN 0.341 nan 8.230 nan 0.000 0.433 90 A N -1.440 121.566 122.820 0.310 0.000 1.872 90 A HA -0.241 4.079 4.320 -0.000 0.000 0.214 90 A C 2.095 180.013 177.584 0.556 0.000 1.187 90 A CA 1.302 53.608 52.037 0.447 0.000 0.614 90 A CB -1.512 17.883 19.000 0.658 0.000 0.826 90 A HN 0.691 nan 8.150 nan 0.000 0.442 91 W N 0.863 122.392 121.300 0.381 0.000 2.387 91 W HA -0.190 4.470 4.660 -0.000 0.000 0.272 91 W C 2.020 178.623 176.519 0.140 0.000 1.224 91 W CA 1.516 59.027 57.345 0.275 0.000 1.210 91 W CB -0.553 28.840 29.460 -0.112 0.000 1.125 91 W HN 0.678 nan 8.180 nan 0.000 0.572 92 H N -0.735 118.363 119.070 0.045 0.000 2.395 92 H HA -0.113 4.443 4.556 -0.000 0.000 0.299 92 H C 1.896 177.174 175.328 -0.083 0.000 1.070 92 H CA 2.068 58.038 56.048 -0.130 0.000 1.356 92 H CB -0.194 29.534 29.762 -0.058 0.000 1.401 92 H HN 0.001 nan 8.280 nan 0.000 0.524 93 V N 1.431 121.332 119.914 -0.021 0.000 2.282 93 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 93 V C 2.753 178.766 176.094 -0.134 0.000 1.057 93 V CA 2.294 64.556 62.300 -0.063 0.000 1.032 93 V CB -0.716 31.146 31.823 0.065 0.000 0.645 93 V HN 0.345 nan 8.190 nan 0.000 0.447 94 Q N 0.160 119.922 119.800 -0.063 0.000 1.990 94 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 94 Q C 2.063 177.950 176.000 -0.188 0.000 0.980 94 Q CA 1.849 57.618 55.803 -0.057 0.000 0.832 94 Q CB -0.538 28.267 28.738 0.112 0.000 0.897 94 Q HN 0.607 nan 8.270 nan 0.000 0.427 95 L N 0.280 121.292 121.223 -0.351 0.000 2.187 95 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 95 L C 2.498 179.141 176.870 -0.378 0.000 1.100 95 L CA 1.130 55.710 54.840 -0.433 0.000 0.765 95 L CB -0.726 40.911 42.059 -0.704 0.000 0.904 95 L HN 0.270 nan 8.230 nan 0.000 0.437 96 S N 0.351 115.774 115.700 -0.461 0.000 2.349 96 S HA -0.212 4.258 4.470 -0.000 0.000 0.216 96 S C 2.092 176.535 174.600 -0.262 0.000 1.033 96 S CA 1.403 59.343 58.200 -0.434 0.000 1.021 96 S CB -0.051 62.834 63.200 -0.525 0.000 0.968 96 S HN 0.264 nan 8.310 nan 0.000 0.426 97 R N 0.872 121.243 120.500 -0.216 0.000 2.170 97 R HA 0.007 4.347 4.340 -0.000 0.000 0.242 97 R C 2.300 178.513 176.300 -0.145 0.000 1.145 97 R CA 1.195 57.185 56.100 -0.183 0.000 0.984 97 R CB -1.288 28.930 30.300 -0.136 0.000 0.869 97 R HN 0.564 nan 8.270 nan 0.000 0.455 98 G N 0.319 109.030 108.800 -0.148 0.000 2.513 98 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 98 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 98 G C 1.085 175.927 174.900 -0.096 0.000 1.160 98 G CA 0.734 45.761 45.100 -0.122 0.000 0.767 98 G HN 0.152 nan 8.290 nan 0.000 0.571 99 L N 0.398 121.555 121.223 -0.111 0.000 2.162 99 L HA 0.039 4.379 4.340 -0.000 0.000 0.205 99 L C 3.031 179.883 176.870 -0.031 0.000 1.086 99 L CA 1.564 56.364 54.840 -0.068 0.000 0.778 99 L CB -1.618 40.379 42.059 -0.103 0.000 0.928 99 L HN 0.187 nan 8.230 nan 0.000 0.446 100 T N 0.688 115.194 114.554 -0.080 0.000 2.708 100 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 100 T C 2.139 176.842 174.700 0.005 0.000 1.037 100 T CA 1.152 63.216 62.100 -0.061 0.000 1.146 100 T CB -0.107 68.666 68.868 -0.159 0.000 0.865 100 T HN 0.166 nan 8.240 nan 0.000 0.435 101 L N 0.529 121.730 121.223 -0.037 0.000 2.072 101 L HA -0.067 4.273 4.340 -0.000 0.000 0.205 101 L C 2.882 179.807 176.870 0.092 0.000 1.079 101 L CA 1.184 56.026 54.840 0.004 0.000 0.752 101 L CB -1.229 40.806 42.059 -0.041 0.000 0.906 101 L HN 0.260 nan 8.230 nan 0.000 0.436 102 T N -1.067 113.535 114.554 0.081 0.000 2.822 102 T HA -0.262 4.088 4.350 -0.000 0.000 0.270 102 T C 1.631 176.485 174.700 0.257 0.000 1.064 102 T CA 1.487 63.685 62.100 0.163 0.000 1.131 102 T CB -0.320 68.612 68.868 0.106 0.000 0.858 102 T HN 0.315 nan 8.240 nan 0.000 0.483 103 Y N 1.165 121.524 120.300 0.098 0.000 2.420 103 Y HA 0.150 4.700 4.550 -0.000 0.000 0.292 103 Y C 2.295 178.271 175.900 0.126 0.000 1.119 103 Y CA 0.728 58.907 58.100 0.131 0.000 1.229 103 Y CB 0.064 38.572 38.460 0.080 0.000 1.026 103 Y HN 0.037 nan 8.280 nan 0.000 0.554 104 E N -0.722 119.542 120.200 0.107 0.000 2.158 104 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 104 E C 1.743 178.367 176.600 0.041 0.000 0.982 104 E CA 1.216 57.634 56.400 0.031 0.000 0.823 104 E CB -0.610 29.128 29.700 0.063 0.000 0.766 104 E HN 0.553 nan 8.360 nan 0.000 0.468 105 W N 1.155 122.392 121.300 -0.105 0.000 2.418 105 W HA -0.084 4.576 4.660 -0.000 0.000 0.292 105 W C 1.766 178.177 176.519 -0.180 0.000 1.213 105 W CA 1.599 58.877 57.345 -0.112 0.000 1.283 105 W CB -0.046 29.366 29.460 -0.081 0.000 1.119 105 W HN 0.101 nan 8.180 nan 0.000 0.542 106 Q N -1.905 117.731 119.800 -0.273 0.000 2.204 106 Q HA -0.053 4.287 4.340 -0.000 0.000 0.198 106 Q C 0.391 175.912 176.000 -0.799 0.000 0.946 106 Q CA 0.904 56.307 55.803 -0.667 0.000 0.859 106 Q CB -0.106 28.241 28.738 -0.652 0.000 0.946 106 Q HN 0.259 nan 8.270 nan 0.000 0.474 107 H N -0.297 118.551 119.070 -0.371 0.000 2.412 107 H HA 0.473 5.029 4.556 -0.000 0.000 0.239 107 H C -0.383 174.761 175.328 -0.307 0.000 1.388 107 H CA -0.010 55.803 56.048 -0.392 0.000 1.148 107 H CB 0.491 29.881 29.762 -0.620 0.000 1.637 107 H HN 0.126 nan 8.280 nan 0.000 0.542 108 G N 0.524 109.231 108.800 -0.155 0.000 2.619 108 G HA2 0.335 4.295 3.960 -0.000 0.000 0.296 108 G HA3 0.335 4.295 3.960 -0.000 0.000 0.296 108 G C -0.120 174.733 174.900 -0.078 0.000 1.334 108 G CA -0.783 44.262 45.100 -0.092 0.000 0.934 108 G HN 0.158 nan 8.290 nan 0.000 0.476 109 T N 0.526 115.051 114.554 -0.049 0.000 2.903 109 T HA 0.213 4.563 4.350 -0.000 0.000 0.314 109 T C -1.513 173.162 174.700 -0.041 0.000 1.078 109 T CA -0.673 61.401 62.100 -0.043 0.000 1.114 109 T CB 1.497 70.348 68.868 -0.028 0.000 0.987 109 T HN 0.150 nan 8.240 nan 0.000 0.548 110 P HA -0.119 nan 4.420 nan 0.000 0.216 110 P C -1.020 176.269 177.300 -0.018 0.000 1.157 110 P CA 1.383 64.462 63.100 -0.036 0.000 0.880 110 P CB -1.006 30.674 31.700 -0.034 0.000 0.791 111 P HA -0.122 nan 4.420 nan 0.000 0.215 111 P C 1.572 178.871 177.300 -0.001 0.000 1.153 111 P CA 1.798 64.893 63.100 -0.009 0.000 0.853 111 P CB -0.559 31.133 31.700 -0.015 0.000 0.788 112 V N -2.665 117.249 119.914 0.000 0.000 3.235 112 V HA 0.173 4.293 4.120 -0.000 0.000 0.259 112 V C 2.628 178.743 176.094 0.036 0.000 1.133 112 V CA 0.800 63.110 62.300 0.016 0.000 1.128 112 V CB -1.295 30.537 31.823 0.015 0.000 0.757 112 V HN -0.085 nan 8.190 nan 0.000 0.469 113 R N 0.622 121.136 120.500 0.023 0.000 2.193 113 R HA 0.157 4.497 4.340 -0.000 0.000 0.213 113 R C 2.157 178.522 176.300 0.108 0.000 1.055 113 R CA 1.208 57.338 56.100 0.050 0.000 0.995 113 R CB -0.265 30.012 30.300 -0.038 0.000 0.893 113 R HN 0.587 nan 8.270 nan 0.000 0.459 114 A N 1.117 123.974 122.820 0.063 0.000 1.897 114 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 114 A C 2.063 179.686 177.584 0.065 0.000 1.181 114 A CA 1.327 53.405 52.037 0.067 0.000 0.620 114 A CB -0.315 18.704 19.000 0.032 0.000 0.821 114 A HN 0.488 nan 8.150 nan 0.000 0.443 115 M N -0.765 118.861 119.600 0.044 0.000 2.562 115 M HA 0.357 4.837 4.480 -0.000 0.000 0.257 115 M C 1.730 178.045 176.300 0.025 0.000 1.099 115 M CA 1.405 56.717 55.300 0.019 0.000 1.099 115 M CB -0.613 31.989 32.600 0.003 0.000 1.427 115 M HN 0.166 nan 8.290 nan 0.000 0.489 116 A N 0.932 123.797 122.820 0.074 0.000 1.898 116 A HA 0.043 4.363 4.320 -0.000 0.000 0.216 116 A C 2.300 179.875 177.584 -0.015 0.000 1.181 116 A CA 2.163 54.245 52.037 0.075 0.000 0.620 116 A CB -1.449 17.658 19.000 0.179 0.000 0.819 116 A HN 0.632 nan 8.150 nan 0.000 0.442 117 E N 0.371 120.591 120.200 0.033 0.000 2.153 117 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 117 E C 2.068 178.613 176.600 -0.092 0.000 0.988 117 E CA 1.460 57.806 56.400 -0.090 0.000 0.811 117 E CB -0.638 29.122 29.700 0.099 0.000 0.746 117 E HN 0.778 nan 8.360 nan 0.000 0.466 118 R N -0.428 120.044 120.500 -0.046 0.000 2.070 118 R HA 0.051 4.391 4.340 -0.000 0.000 0.232 118 R C 2.677 178.921 176.300 -0.094 0.000 1.138 118 R CA 1.639 57.705 56.100 -0.056 0.000 0.936 118 R CB -0.474 29.799 30.300 -0.046 0.000 0.839 118 R HN 0.379 nan 8.270 nan 0.000 0.429 119 L N 0.338 121.486 121.223 -0.125 0.000 2.072 119 L HA -0.134 4.206 4.340 -0.000 0.000 0.205 119 L C 2.448 179.243 176.870 -0.125 0.000 1.079 119 L CA 0.516 55.256 54.840 -0.166 0.000 0.752 119 L CB -0.398 41.547 42.059 -0.190 0.000 0.906 119 L HN 0.178 nan 8.230 nan 0.000 0.436 120 L N 0.111 121.250 121.223 -0.141 0.000 2.079 120 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 120 L C 2.671 179.438 176.870 -0.173 0.000 1.081 120 L CA 1.733 56.466 54.840 -0.179 0.000 0.752 120 L CB -0.527 41.350 42.059 -0.304 0.000 0.896 120 L HN 0.113 nan 8.230 nan 0.000 0.433 121 R N -1.042 119.358 120.500 -0.167 0.000 2.153 121 R HA -0.011 4.329 4.340 -0.000 0.000 0.218 121 R C 2.095 178.351 176.300 -0.072 0.000 1.072 121 R CA 0.925 56.949 56.100 -0.127 0.000 0.990 121 R CB -0.169 30.063 30.300 -0.113 0.000 0.889 121 R HN 0.504 nan 8.270 nan 0.000 0.452 122 A N 1.366 124.150 122.820 -0.060 0.000 1.929 122 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 122 A C 2.056 179.636 177.584 -0.008 0.000 1.176 122 A CA 1.291 53.315 52.037 -0.022 0.000 0.628 122 A CB -0.320 18.676 19.000 -0.007 0.000 0.816 122 A HN 0.500 nan 8.150 nan 0.000 0.444 123 M N -1.915 117.672 119.600 -0.022 0.000 2.561 123 M HA 0.443 4.923 4.480 -0.000 0.000 0.238 123 M C 1.688 177.989 176.300 0.002 0.000 1.131 123 M CA 0.805 56.105 55.300 -0.000 0.000 1.046 123 M CB -0.146 32.451 32.600 -0.005 0.000 1.532 123 M HN 0.181 nan 8.290 nan 0.000 0.497 124 A N 1.354 124.162 122.820 -0.021 0.000 1.898 124 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 124 A C 2.092 179.682 177.584 0.010 0.000 1.181 124 A CA 2.086 54.110 52.037 -0.021 0.000 0.620 124 A CB -0.381 18.589 19.000 -0.050 0.000 0.819 124 A HN 0.554 nan 8.150 nan 0.000 0.442 125 E N -2.129 118.080 120.200 0.015 0.000 2.251 125 E HA 0.275 4.625 4.350 -0.000 0.000 0.194 125 E C 1.054 177.684 176.600 0.050 0.000 0.964 125 E CA 1.085 57.502 56.400 0.030 0.000 0.868 125 E CB 0.296 30.008 29.700 0.020 0.000 0.828 125 E HN 0.720 nan 8.360 nan 0.000 0.481 126 G N -1.596 107.233 108.800 0.048 0.000 2.173 126 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.142 126 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.142 126 G C 0.869 175.794 174.900 0.043 0.000 1.019 126 G CA 0.654 45.793 45.100 0.065 0.000 0.699 126 G HN 0.361 nan 8.290 nan 0.000 0.495 127 E N -0.481 119.737 120.200 0.031 0.000 2.204 127 E HA 0.586 4.936 4.350 -0.000 0.000 0.194 127 E C 1.326 177.937 176.600 0.019 0.000 0.989 127 E CA 1.951 58.367 56.400 0.026 0.000 0.824 127 E CB 0.056 29.773 29.700 0.029 0.000 0.756 127 E HN 2.209 nan 8.360 nan 0.000 0.477 128 A N -0.817 122.018 122.820 0.025 0.000 2.398 128 A HA 0.779 5.099 4.320 -0.000 0.000 0.301 128 A C -0.395 177.191 177.584 0.004 0.000 1.041 128 A CA -0.034 52.018 52.037 0.026 0.000 0.711 128 A CB 1.728 20.827 19.000 0.164 0.000 1.240 128 A HN 1.007 nan 8.150 nan 0.000 0.420 129 A N 1.850 124.625 122.820 -0.075 0.000 2.258 129 A HA 0.634 4.954 4.320 -0.000 0.000 0.316 129 A C -0.276 177.221 177.584 -0.145 0.000 1.279 129 A CA -0.494 51.480 52.037 -0.106 0.000 0.876 129 A CB 0.705 19.598 19.000 -0.179 0.000 1.170 129 A HN 1.844 nan 8.150 nan 0.000 0.520 130 V N 3.257 123.129 119.914 -0.070 0.000 2.539 130 V HA 0.570 4.690 4.120 -0.000 0.000 0.292 130 V C -0.190 175.873 176.094 -0.053 0.000 1.045 130 V CA -0.209 62.065 62.300 -0.043 0.000 0.945 130 V CB 0.792 32.668 31.823 0.089 0.000 0.993 130 V HN 1.036 nan 8.190 nan 0.000 0.464 131 C N 3.821 123.085 119.300 -0.060 0.000 2.973 131 C HA 0.914 5.374 4.460 -0.000 0.000 0.329 131 C C 0.481 175.632 174.990 0.268 0.000 1.327 131 C CA -0.385 58.669 59.018 0.060 0.000 1.632 131 C CB 1.764 29.518 27.740 0.023 0.000 2.098 131 C HN 1.097 nan 8.230 nan 0.000 0.469 132 G N 0.464 109.425 108.800 0.268 0.000 2.675 132 G HA2 0.599 4.559 3.960 -0.000 0.000 0.297 132 G HA3 0.599 4.559 3.960 -0.000 0.000 0.297 132 G C -0.641 174.430 174.900 0.285 0.000 1.399 132 G CA -0.053 45.218 45.100 0.284 0.000 0.981 132 G HN 1.158 nan 8.290 nan 0.000 0.519 133 A N 3.146 126.154 122.820 0.312 0.000 2.910 133 A HA 0.519 4.839 4.320 -0.000 0.000 0.316 133 A C 0.853 178.613 177.584 0.294 0.000 1.493 133 A CA -0.409 51.788 52.037 0.265 0.000 1.150 133 A CB 0.303 19.486 19.000 0.304 0.000 1.159 133 A HN 0.758 nan 8.150 nan 0.000 0.526 134 L N 2.912 124.305 121.223 0.283 0.000 2.117 134 L HA 0.348 4.688 4.340 -0.000 0.000 0.200 134 L C 1.607 178.553 176.870 0.125 0.000 1.110 134 L CA 2.193 57.205 54.840 0.286 0.000 0.774 134 L CB -0.778 41.368 42.059 0.145 0.000 0.934 134 L HN 0.487 nan 8.230 nan 0.000 0.456 135 K N 0.595 121.042 120.400 0.078 0.000 2.440 135 K HA 0.195 4.515 4.320 -0.000 0.000 0.270 135 K C -0.526 176.119 176.600 0.076 0.000 0.980 135 K CA 0.678 56.999 56.287 0.055 0.000 0.953 135 K CB -0.983 31.547 32.500 0.050 0.000 0.925 135 K HN 0.582 nan 8.250 nan 0.000 0.497 136 D N -0.580 119.858 120.400 0.063 0.000 2.342 136 D HA 0.555 5.195 4.640 -0.000 0.000 0.243 136 D C -0.061 176.269 176.300 0.051 0.000 1.019 136 D CA -0.004 54.037 54.000 0.068 0.000 0.864 136 D CB 1.842 42.682 40.800 0.067 0.000 1.315 136 D HN 0.845 nan 8.370 nan 0.000 0.468 137 A N 1.860 124.707 122.820 0.045 0.000 2.483 137 A HA 0.365 4.685 4.320 -0.000 0.000 0.238 137 A C -2.138 175.464 177.584 0.030 0.000 1.070 137 A CA -0.730 51.326 52.037 0.033 0.000 0.770 137 A CB -0.317 18.696 19.000 0.021 0.000 1.008 137 A HN 0.376 nan 8.150 nan 0.000 0.497 138 P HA 0.347 nan 4.420 nan 0.000 0.271 138 P C 1.026 178.338 177.300 0.020 0.000 1.220 138 P CA 1.570 64.683 63.100 0.022 0.000 0.768 138 P CB 0.914 32.624 31.700 0.017 0.000 0.848 139 G N 1.253 110.066 108.800 0.021 0.000 2.258 139 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.233 139 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.233 139 G C -0.059 174.855 174.900 0.023 0.000 1.006 139 G CA -0.047 45.065 45.100 0.019 0.000 0.620 139 G HN 0.540 nan 8.290 nan 0.000 0.511 140 V N 0.841 120.772 119.914 0.027 0.000 2.680 140 V HA 0.753 4.873 4.120 -0.000 0.000 0.309 140 V C -0.032 176.087 176.094 0.041 0.000 1.052 140 V CA -0.797 61.523 62.300 0.033 0.000 0.908 140 V CB 2.138 33.982 31.823 0.035 0.000 1.001 140 V HN 0.393 nan 8.190 nan 0.000 0.431 141 V N 2.938 122.878 119.914 0.043 0.000 2.444 141 V HA 0.387 4.507 4.120 -0.000 0.000 0.294 141 V C 0.430 176.557 176.094 0.054 0.000 1.022 141 V CA -0.326 62.002 62.300 0.047 0.000 0.850 141 V CB 1.859 33.705 31.823 0.038 0.000 0.992 141 V HN 1.001 nan 8.190 nan 0.000 0.426 153 L N 2.932 124.269 121.223 0.190 0.000 2.456 153 L HA -0.154 4.186 4.340 -0.000 0.000 0.574 153 L C -0.460 176.455 176.870 0.075 0.000 1.000 153 L CA 0.566 55.479 54.840 0.121 0.000 1.269 153 L CB -1.098 41.041 42.059 0.133 0.000 1.865 153 L HN 0.895 nan 8.230 nan 0.000 0.941 154 L N 2.011 123.253 121.223 0.032 0.000 2.333 154 L HA 0.996 5.335 4.340 -0.000 0.000 0.263 154 L C -0.068 176.817 176.870 0.026 0.000 1.014 154 L CA -0.058 54.780 54.840 -0.005 0.000 0.820 154 L CB 2.278 44.282 42.059 -0.092 0.000 1.352 154 L HN 0.535 nan 8.230 nan 0.000 0.421 155 S N 0.484 116.204 115.700 0.033 0.000 2.656 155 S HA 0.982 5.452 4.470 -0.000 0.000 0.273 155 S C -0.592 174.073 174.600 0.108 0.000 1.168 155 S CA -0.049 58.202 58.200 0.085 0.000 0.817 155 S CB 1.702 64.943 63.200 0.068 0.000 1.146 155 S HN 1.397 nan 8.310 nan 0.000 0.475 156 G N 0.968 109.854 108.800 0.144 0.000 2.384 156 G HA2 0.248 4.208 3.960 -0.000 0.000 0.668 156 G HA3 0.248 4.208 3.960 -0.000 0.000 0.668 156 G C -1.836 173.191 174.900 0.212 0.000 1.280 156 G CA -0.629 44.561 45.100 0.150 0.000 0.992 156 G HN 0.955 nan 8.290 nan 0.000 0.512 157 R N -1.567 119.026 120.500 0.155 0.000 2.548 157 R HA 0.819 5.159 4.340 -0.000 0.000 0.280 157 R C -0.483 175.860 176.300 0.071 0.000 1.061 157 R CA -0.349 55.789 56.100 0.063 0.000 0.915 157 R CB 1.124 31.409 30.300 -0.024 0.000 1.210 157 R HN 1.208 nan 8.270 nan 0.000 0.442 158 K N 1.654 122.080 120.400 0.044 0.000 2.118 158 K HA 0.761 5.081 4.320 -0.000 0.000 0.254 158 K C 0.102 176.699 176.600 -0.006 0.000 0.961 158 K CA -0.131 56.197 56.287 0.068 0.000 0.876 158 K CB 1.488 34.085 32.500 0.162 0.000 1.077 158 K HN 0.686 nan 8.250 nan 0.000 0.440 159 V N -2.546 117.383 119.914 0.026 0.000 3.119 159 V HA 0.640 4.760 4.120 -0.000 0.000 0.311 159 V C 0.538 176.644 176.094 0.020 0.000 1.259 159 V CA -1.127 61.184 62.300 0.019 0.000 1.067 159 V CB 1.350 33.200 31.823 0.046 0.000 1.123 159 V HN 0.933 nan 8.190 nan 0.000 0.463 160 L N -0.593 120.633 121.223 0.004 0.000 3.858 160 L HA -0.136 4.204 4.340 -0.000 0.000 0.425 160 L C 0.302 177.135 176.870 -0.061 0.000 1.177 160 L CA 0.707 55.513 54.840 -0.058 0.000 0.943 160 L CB -2.182 39.882 42.059 0.009 0.000 1.861 160 L HN 0.695 nan 8.230 nan 0.000 0.985 161 V N 0.438 120.320 119.914 -0.052 0.000 2.313 161 V HA 0.155 4.275 4.120 -0.000 0.000 0.252 161 V C 1.266 177.339 176.094 -0.035 0.000 1.112 161 V CA -0.008 62.294 62.300 0.004 0.000 0.984 161 V CB 1.013 32.856 31.823 0.032 0.000 1.157 161 V HN 0.407 nan 8.190 nan 0.000 0.493 162 S N 5.341 121.026 115.700 -0.026 0.000 2.565 162 S HA 0.459 4.929 4.470 -0.000 0.000 0.276 162 S C 0.674 175.295 174.600 0.034 0.000 1.326 162 S CA -0.295 57.890 58.200 -0.025 0.000 1.045 162 S CB 0.585 63.794 63.200 0.015 0.000 0.918 162 S HN 0.935 nan 8.310 nan 0.000 0.505 163 M N 0.915 120.532 119.600 0.028 0.000 2.936 163 M HA -0.250 4.230 4.480 -0.000 0.000 0.216 163 M C 0.873 177.028 176.300 -0.241 0.000 0.544 163 M CA 0.586 55.838 55.300 -0.079 0.000 0.774 163 M CB -1.621 30.981 32.600 0.003 0.000 2.799 163 M HN 0.834 nan 8.290 nan 0.000 0.474 164 A N 0.936 123.656 122.820 -0.166 0.000 1.845 164 A HA -0.053 4.267 4.320 -0.000 0.000 0.215 164 A C -0.282 177.191 177.584 -0.185 0.000 1.195 164 A CA 1.815 53.823 52.037 -0.048 0.000 0.616 164 A CB -1.513 17.479 19.000 -0.013 0.000 0.832 164 A HN 0.619 nan 8.150 nan 0.000 0.443 165 P HA -0.204 nan 4.420 nan 0.000 0.217 165 P C 1.232 178.308 177.300 -0.374 0.000 1.158 165 P CA 1.531 64.408 63.100 -0.372 0.000 0.887 165 P CB -0.137 31.264 31.700 -0.498 0.000 0.792 166 I N -1.762 118.472 120.570 -0.560 0.000 3.858 166 I HA 0.234 4.404 4.170 -0.000 0.000 0.325 166 I C 0.460 176.376 176.117 -0.334 0.000 1.403 166 I CA -0.561 60.511 61.300 -0.380 0.000 1.169 166 I CB -0.197 37.575 38.000 -0.379 0.000 1.077 166 I HN -0.167 nan 8.210 nan 0.000 0.403 167 A N -0.089 122.527 122.820 -0.341 0.000 2.340 167 A HA 0.466 4.786 4.320 -0.000 0.000 0.268 167 A C 1.048 178.352 177.584 -0.467 0.000 1.100 167 A CA 0.309 52.076 52.037 -0.450 0.000 0.803 167 A CB 0.454 19.080 19.000 -0.624 0.000 1.043 167 A HN 0.463 nan 8.150 nan 0.000 0.488 168 T N -1.818 112.375 114.554 -0.602 0.000 3.057 168 T HA 0.259 4.609 4.350 -0.000 0.000 0.254 168 T C 0.464 174.535 174.700 -1.049 0.000 0.965 168 T CA 0.272 61.946 62.100 -0.710 0.000 0.978 168 T CB -0.124 68.329 68.868 -0.690 0.000 1.169 168 T HN 0.664 nan 8.240 nan 0.000 0.489 169 H N -0.047 118.607 119.070 -0.693 0.000 2.569 169 H HA 0.651 5.207 4.556 -0.000 0.000 0.357 169 H C -1.659 173.256 175.328 -0.688 0.000 1.153 169 H CA -1.041 54.651 56.048 -0.594 0.000 1.193 169 H CB 1.549 31.032 29.762 -0.465 0.000 1.602 169 H HN 0.186 nan 8.280 nan 0.000 0.523 170 F N 1.348 121.240 119.950 -0.097 0.000 2.562 170 F HA 0.237 4.764 4.527 -0.000 0.000 0.319 170 F C -0.523 175.180 175.800 -0.162 0.000 1.154 170 F CA -0.684 57.291 58.000 -0.040 0.000 0.931 170 F CB 1.052 40.105 39.000 0.088 0.000 1.198 170 F HN 0.349 nan 8.300 nan 0.000 0.444 171 F N 3.851 123.890 119.950 0.148 0.000 2.467 171 F HA 0.333 4.860 4.527 -0.000 0.000 0.349 171 F C 0.433 176.180 175.800 -0.087 0.000 1.182 171 F CA -0.510 57.477 58.000 -0.021 0.000 1.279 171 F CB 0.475 39.435 39.000 -0.066 0.000 1.626 171 F HN 0.199 nan 8.300 nan 0.000 0.596 172 V N 3.650 123.566 119.914 0.003 0.000 3.051 172 V HA 0.135 4.255 4.120 -0.000 0.000 0.306 172 V C -0.058 175.933 176.094 -0.172 0.000 1.083 172 V CA -0.314 61.942 62.300 -0.073 0.000 1.104 172 V CB 0.686 32.305 31.823 -0.340 0.000 1.027 172 V HN 0.443 nan 8.190 nan 0.000 0.483 173 H N 5.056 124.140 119.070 0.023 0.000 2.691 173 H HA 0.628 5.184 4.556 0.000 0.000 0.281 173 H C 0.197 175.523 175.328 -0.004 0.000 1.121 173 H CA 0.301 56.360 56.048 0.019 0.000 1.254 173 H CB 1.141 30.924 29.762 0.035 0.000 1.390 173 H HN 0.897 nan 8.280 nan 0.000 0.491 174 A N 3.394 126.244 122.820 0.050 0.000 2.284 174 A HA 0.628 4.948 4.320 -0.000 0.000 0.317 174 A C -0.307 177.300 177.584 0.037 0.000 1.120 174 A CA -0.713 51.337 52.037 0.022 0.000 0.900 174 A CB 1.479 20.456 19.000 -0.040 0.000 1.319 174 A HN 0.735 nan 8.150 nan 0.000 0.494 175 Q N -1.955 117.859 119.800 0.024 0.000 2.416 175 Q HA 0.758 5.098 4.340 -0.000 0.000 0.281 175 Q C -0.539 175.469 176.000 0.014 0.000 1.067 175 Q CA -0.925 54.893 55.803 0.024 0.000 0.809 175 Q CB 1.465 30.222 28.738 0.032 0.000 1.418 175 Q HN 0.963 nan 8.270 nan 0.000 0.411 186 A N 3.748 126.585 122.820 0.029 0.000 2.454 186 A HA 0.854 5.174 4.320 -0.000 0.000 0.302 186 A C -0.474 177.095 177.584 -0.026 0.000 1.079 186 A CA -0.092 51.941 52.037 -0.006 0.000 0.731 186 A CB 2.175 21.146 19.000 -0.049 0.000 1.299 186 A HN 1.194 nan 8.150 nan 0.000 0.413 187 V N -0.692 119.194 119.914 -0.047 0.000 2.326 187 V HA 0.413 4.533 4.120 -0.000 0.000 0.254 187 V C -2.758 173.331 176.094 -0.010 0.000 1.022 187 V CA -1.887 60.358 62.300 -0.092 0.000 1.074 187 V CB -0.476 31.288 31.823 -0.098 0.000 1.305 187 V HN 0.556 nan 8.190 nan 0.000 0.506 188 P HA 0.107 nan 4.420 nan 0.000 0.271 188 P C -0.291 176.906 177.300 -0.173 0.000 1.228 188 P CA 0.291 63.320 63.100 -0.118 0.000 0.797 188 P CB 0.649 32.254 31.700 -0.158 0.000 0.914 189 V N 1.503 121.286 119.914 -0.218 0.000 2.327 189 V HA 0.187 4.307 4.120 -0.000 0.000 0.272 189 V C 0.067 176.056 176.094 -0.175 0.000 1.019 189 V CA -0.663 61.420 62.300 -0.361 0.000 0.814 189 V CB 1.087 32.631 31.823 -0.465 0.000 1.040 189 V HN 0.375 nan 8.190 nan 0.000 0.440 190 V N 0.771 120.624 119.914 -0.101 0.000 2.567 190 V HA 0.576 4.696 4.120 -0.000 0.000 0.289 190 V C 0.269 176.446 176.094 0.139 0.000 1.049 190 V CA -0.372 61.952 62.300 0.040 0.000 0.969 190 V CB 1.372 33.228 31.823 0.055 0.000 0.995 190 V HN 0.767 nan 8.190 nan 0.000 0.471 191 H N 3.071 122.183 119.070 0.071 0.000 2.509 191 H HA 0.413 4.969 4.556 -0.000 0.000 0.359 191 H C 1.018 176.370 175.328 0.040 0.000 1.253 191 H CA -0.146 55.901 56.048 -0.002 0.000 1.373 191 H CB 1.754 31.501 29.762 -0.025 0.000 1.555 191 H HN 0.827 nan 8.280 nan 0.000 0.586 192 R N 0.655 121.239 120.500 0.139 0.000 2.092 192 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 192 R C 0.347 176.777 176.300 0.217 0.000 1.119 192 R CA 1.421 57.640 56.100 0.198 0.000 0.970 192 R CB -0.211 30.105 30.300 0.026 0.000 0.864 192 R HN 0.584 nan 8.270 nan 0.000 0.440 193 D N 1.072 121.620 120.400 0.246 0.000 2.663 193 D HA 0.095 4.735 4.640 -0.000 0.000 0.243 193 D C -0.397 175.934 176.300 0.052 0.000 1.218 193 D CA 0.395 54.437 54.000 0.070 0.000 0.846 193 D CB -0.038 40.726 40.800 -0.059 0.000 1.014 193 D HN 0.327 nan 8.370 nan 0.000 0.476 194 A N 1.925 124.807 122.820 0.103 0.000 2.366 194 A HA 0.277 4.597 4.320 -0.000 0.000 0.249 194 A C -0.706 176.913 177.584 0.059 0.000 1.084 194 A CA -0.881 51.209 52.037 0.088 0.000 0.794 194 A CB 0.559 19.641 19.000 0.137 0.000 1.034 194 A HN 0.038 nan 8.150 nan 0.000 0.491 195 P HA -0.025 nan 4.420 nan 0.000 0.217 195 P C 0.903 178.225 177.300 0.037 0.000 1.154 195 P CA 1.723 64.843 63.100 0.034 0.000 0.841 195 P CB 0.089 31.806 31.700 0.029 0.000 0.788 196 G N 0.393 109.226 108.800 0.056 0.000 4.125 196 G HA2 0.403 4.363 3.960 -0.000 0.000 0.301 196 G HA3 0.403 4.363 3.960 -0.000 0.000 0.301 196 G C -0.611 174.329 174.900 0.067 0.000 1.273 196 G CA -0.014 45.119 45.100 0.055 0.000 1.095 196 G HN 0.161 nan 8.290 nan 0.000 0.582 197 L N 0.998 122.251 121.223 0.050 0.000 2.325 197 L HA 0.739 5.079 4.340 -0.000 0.000 0.281 197 L C -0.692 176.145 176.870 -0.055 0.000 1.004 197 L CA -0.234 54.613 54.840 0.012 0.000 0.823 197 L CB 2.051 44.163 42.059 0.089 0.000 1.236 197 L HN -0.056 nan 8.230 nan 0.000 0.415 198 T N 4.296 118.765 114.554 -0.142 0.000 2.879 198 T HA 0.457 4.807 4.350 -0.000 0.000 0.290 198 T C -1.207 173.376 174.700 -0.195 0.000 0.993 198 T CA -0.404 61.620 62.100 -0.127 0.000 0.975 198 T CB 1.869 70.679 68.868 -0.096 0.000 0.981 198 T HN 0.409 nan 8.240 nan 0.000 0.439 199 V N 5.838 125.667 119.914 -0.142 0.000 2.370 199 V HA 0.584 4.704 4.120 -0.000 0.000 0.283 199 V C -0.880 175.158 176.094 -0.093 0.000 1.023 199 V CA -0.803 61.406 62.300 -0.152 0.000 0.857 199 V CB 0.601 32.364 31.823 -0.099 0.000 0.985 199 V HN 0.760 nan 8.190 nan 0.000 0.443 200 L N 7.174 128.342 121.223 -0.092 0.000 2.272 200 L HA 0.522 4.862 4.340 -0.000 0.000 0.289 200 L C -0.001 176.868 176.870 -0.002 0.000 1.032 200 L CA -0.591 54.224 54.840 -0.042 0.000 0.810 200 L CB 1.482 43.517 42.059 -0.040 0.000 1.205 200 L HN 0.704 nan 8.230 nan 0.000 0.422 201 D N 2.985 123.397 120.400 0.021 0.000 2.767 201 D HA -0.008 4.632 4.640 -0.000 0.000 0.241 201 D C 0.154 176.510 176.300 0.093 0.000 1.187 201 D CA -0.366 53.673 54.000 0.066 0.000 0.999 201 D CB 0.130 40.965 40.800 0.059 0.000 1.042 201 D HN 0.538 nan 8.370 nan 0.000 0.510 202 N N 0.544 119.308 118.700 0.108 0.000 2.234 202 N HA -0.071 4.669 4.740 -0.000 0.000 0.227 202 N C -0.027 175.569 175.510 0.144 0.000 1.151 202 N CA -0.718 52.388 53.050 0.093 0.000 0.865 202 N CB -0.141 38.378 38.487 0.053 0.000 1.066 202 N HN 0.459 nan 8.380 nan 0.000 0.515 203 W N 1.933 123.239 121.300 0.009 0.000 2.381 203 W HA 0.167 4.826 4.660 -0.000 0.000 0.321 203 W C -1.400 175.132 176.519 0.021 0.000 1.407 203 W CA 0.275 57.631 57.345 0.018 0.000 1.274 203 W CB 0.502 29.984 29.460 0.037 0.000 1.310 203 W HN 0.013 nan 8.180 nan 0.000 0.551 204 D N 4.989 125.050 120.400 -0.566 0.000 2.405 204 D HA 0.354 4.994 4.640 -0.000 0.000 0.264 204 D C 0.198 176.040 176.300 -0.763 0.000 1.240 204 D CA -0.140 53.546 54.000 -0.524 0.000 0.893 204 D CB 0.361 41.015 40.800 -0.245 0.000 1.198 204 D HN 0.394 nan 8.370 nan 0.000 0.514 205 G N 0.648 108.788 108.800 -1.100 0.000 2.552 205 G HA2 0.323 4.283 3.960 -0.000 0.000 0.318 205 G HA3 0.323 4.283 3.960 -0.000 0.000 0.318 205 G C 0.649 175.356 174.900 -0.320 0.000 1.240 205 G CA -0.597 44.014 45.100 -0.815 0.000 1.002 205 G HN 0.370 nan 8.290 nan 0.000 0.493 206 L N -0.408 120.711 121.223 -0.172 0.000 2.072 206 L HA 0.362 4.702 4.340 -0.000 0.000 0.205 206 L C 1.298 178.169 176.870 0.002 0.000 1.079 206 L CA 2.172 56.976 54.840 -0.061 0.000 0.752 206 L CB -0.509 41.541 42.059 -0.015 0.000 0.906 206 L HN 0.691 nan 8.230 nan 0.000 0.436 207 G N -3.844 104.997 108.800 0.069 0.000 3.022 207 G HA2 0.425 4.385 3.960 -0.000 0.000 0.284 207 G HA3 0.425 4.385 3.960 -0.000 0.000 0.284 207 G C -0.353 174.691 174.900 0.240 0.000 1.375 207 G CA -0.300 44.875 45.100 0.125 0.000 0.902 207 G HN -0.072 nan 8.290 nan 0.000 0.538 208 M N -0.772 118.956 119.600 0.212 0.000 2.393 208 M HA -0.185 4.295 4.480 -0.000 0.000 0.201 208 M C 1.438 177.971 176.300 0.388 0.000 0.403 208 M CA 0.512 55.962 55.300 0.250 0.000 0.471 208 M CB -1.447 31.317 32.600 0.273 0.000 1.669 208 M HN 0.770 nan 8.290 nan 0.000 0.864 209 R N -0.050 120.648 120.500 0.329 0.000 2.115 209 R HA 0.104 4.444 4.340 -0.000 0.000 0.226 209 R C 2.093 178.589 176.300 0.327 0.000 1.100 209 R CA 1.472 57.809 56.100 0.395 0.000 0.980 209 R CB -0.069 30.346 30.300 0.192 0.000 0.875 209 R HN 0.563 nan 8.270 nan 0.000 0.445 210 A N 1.154 124.094 122.820 0.200 0.000 2.235 210 A HA 0.007 4.327 4.320 -0.000 0.000 0.208 210 A C 0.914 178.572 177.584 0.123 0.000 1.172 210 A CA 0.294 52.410 52.037 0.131 0.000 0.786 210 A CB -0.254 18.776 19.000 0.049 0.000 0.804 210 A HN 0.342 nan 8.150 nan 0.000 0.479 211 S N -1.563 114.240 115.700 0.171 0.000 2.681 211 S HA 0.499 4.969 4.470 -0.000 0.000 0.270 211 S C 0.879 175.657 174.600 0.297 0.000 1.209 211 S CA -0.008 58.309 58.200 0.196 0.000 0.988 211 S CB 1.301 64.561 63.200 0.099 0.000 1.006 211 S HN 0.529 nan 8.310 nan 0.000 0.558 212 G N 0.183 109.226 108.800 0.406 0.000 3.496 212 G HA2 0.283 4.243 3.960 -0.000 0.000 0.273 212 G HA3 0.283 4.243 3.960 -0.000 0.000 0.273 212 G C -0.015 174.820 174.900 -0.108 0.000 1.279 212 G CA -0.532 44.662 45.100 0.156 0.000 1.041 212 G HN 0.705 nan 8.290 nan 0.000 0.539 213 T N 2.372 116.722 114.554 -0.341 0.000 3.416 213 T HA 0.269 4.619 4.350 -0.000 0.000 0.247 213 T C 0.545 174.978 174.700 -0.444 0.000 0.973 213 T CA 0.343 62.094 62.100 -0.582 0.000 1.166 213 T CB -0.202 67.926 68.868 -1.233 0.000 1.040 213 T HN 0.123 nan 8.240 nan 0.000 0.746 214 L N 1.408 122.531 121.223 -0.167 0.000 2.335 214 L HA 0.566 4.906 4.340 -0.000 0.000 0.268 214 L C 0.688 177.535 176.870 -0.038 0.000 1.016 214 L CA -1.085 53.733 54.840 -0.037 0.000 0.805 214 L CB 1.179 43.219 42.059 -0.031 0.000 1.311 214 L HN 0.333 nan 8.230 nan 0.000 0.456 215 E N 1.053 121.243 120.200 -0.016 0.000 2.063 215 E HA 0.315 4.665 4.350 -0.000 0.000 0.265 215 E C -1.510 175.001 176.600 -0.147 0.000 0.919 215 E CA -0.398 55.971 56.400 -0.052 0.000 0.756 215 E CB 1.865 31.565 29.700 0.000 0.000 1.120 215 E HN 0.346 nan 8.360 nan 0.000 0.414 216 V N 5.580 125.337 119.914 -0.261 0.000 2.481 216 V HA 0.454 4.574 4.120 -0.000 0.000 0.286 216 V C -0.249 175.468 176.094 -0.629 0.000 1.042 216 V CA -0.393 61.625 62.300 -0.470 0.000 0.928 216 V CB 1.512 32.911 31.823 -0.706 0.000 0.986 216 V HN 0.494 nan 8.190 nan 0.000 0.462 217 V N 4.248 123.787 119.914 -0.624 0.000 2.769 217 V HA 0.724 4.844 4.120 -0.000 0.000 0.312 217 V C -0.978 174.672 176.094 -0.740 0.000 1.058 217 V CA -0.739 61.227 62.300 -0.556 0.000 0.952 217 V CB 1.709 33.386 31.823 -0.242 0.000 1.019 217 V HN 0.683 nan 8.190 nan 0.000 0.445 218 F N 1.319 121.230 119.950 -0.064 0.000 2.496 218 F HA 0.549 5.076 4.527 -0.000 0.000 0.341 218 F C -0.340 175.445 175.800 -0.025 0.000 1.134 218 F CA -0.719 57.251 58.000 -0.050 0.000 0.968 218 F CB 1.554 40.525 39.000 -0.048 0.000 1.205 218 F HN 0.657 nan 8.300 nan 0.000 0.436 219 D N 4.224 124.702 120.400 0.130 0.000 2.454 219 D HA 0.335 4.975 4.640 -0.000 0.000 0.225 219 D C -0.195 176.155 176.300 0.083 0.000 1.081 219 D CA -0.476 53.572 54.000 0.080 0.000 0.864 219 D CB 0.450 41.272 40.800 0.037 0.000 1.040 219 D HN 0.600 nan 8.370 nan 0.000 0.517 220 R N 1.580 122.128 120.500 0.080 0.000 2.709 220 R HA -0.187 4.153 4.340 -0.000 0.000 0.275 220 R C -1.148 175.192 176.300 0.067 0.000 0.947 220 R CA 0.059 56.198 56.100 0.065 0.000 0.784 220 R CB -2.924 27.406 30.300 0.049 0.000 2.000 220 R HN 0.252 nan 8.270 nan 0.000 0.517 221 C N 5.219 124.559 119.300 0.066 0.000 2.307 221 C HA 0.505 4.965 4.460 -0.000 0.000 0.340 221 C C -1.416 173.598 174.990 0.041 0.000 1.275 221 C CA -1.399 57.653 59.018 0.057 0.000 1.811 221 C CB 1.088 28.858 27.740 0.049 0.000 2.372 221 C HN 0.605 nan 8.230 nan 0.000 0.531 222 P HA 0.309 nan 4.420 nan 0.000 0.282 222 P C -0.826 176.498 177.300 0.040 0.000 1.274 222 P CA 0.329 63.460 63.100 0.051 0.000 0.770 222 P CB 1.216 32.944 31.700 0.046 0.000 0.867 223 V N 4.976 124.919 119.914 0.048 0.000 2.891 223 V HA 0.387 4.507 4.120 -0.000 0.000 0.304 223 V C -0.582 175.536 176.094 0.040 0.000 1.171 223 V CA -0.919 61.394 62.300 0.021 0.000 0.943 223 V CB 2.458 34.264 31.823 -0.029 0.000 1.037 223 V HN 0.357 nan 8.190 nan 0.000 0.427 224 R N 3.811 124.329 120.500 0.030 0.000 2.641 224 R HA 0.616 4.956 4.340 -0.000 0.000 0.269 224 R C 1.205 177.470 176.300 -0.059 0.000 1.074 224 R CA 0.527 56.654 56.100 0.045 0.000 1.133 224 R CB 0.753 31.078 30.300 0.042 0.000 1.029 224 R HN 0.904 nan 8.270 nan 0.000 0.488 225 A N 1.374 124.126 122.820 -0.114 0.000 2.167 225 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 225 A C 1.052 178.530 177.584 -0.176 0.000 1.151 225 A CA 1.282 53.122 52.037 -0.327 0.000 0.735 225 A CB -0.580 18.014 19.000 -0.675 0.000 0.802 225 A HN 0.885 nan 8.150 nan 0.000 0.467 226 D N -0.215 120.139 120.400 -0.077 0.000 2.269 226 D HA -0.095 4.545 4.640 -0.000 0.000 0.208 226 D C 0.666 176.936 176.300 -0.051 0.000 0.963 226 D CA 0.787 54.759 54.000 -0.047 0.000 0.864 226 D CB -0.254 40.539 40.800 -0.010 0.000 0.936 226 D HN 0.469 nan 8.370 nan 0.000 0.505 227 E N 0.341 120.506 120.200 -0.059 0.000 2.282 227 E HA 0.236 4.586 4.350 -0.000 0.000 0.247 227 E C -0.740 175.815 176.600 -0.075 0.000 1.113 227 E CA -0.352 56.015 56.400 -0.055 0.000 1.095 227 E CB 0.549 30.220 29.700 -0.048 0.000 1.328 227 E HN 0.218 nan 8.360 nan 0.000 0.463 237 R N 0.337 120.847 120.500 0.016 0.000 2.445 237 R HA 0.910 5.250 4.340 -0.000 0.000 0.308 237 R C 0.275 176.587 176.300 0.020 0.000 0.961 237 R CA 0.474 56.585 56.100 0.017 0.000 0.862 237 R CB 0.327 30.637 30.300 0.017 0.000 1.144 237 R HN 2.411 nan 8.270 nan 0.000 0.447 238 R N 0.573 121.084 120.500 0.018 0.000 2.738 238 R HA 0.263 4.603 4.340 -0.000 0.000 0.275 238 R C 0.116 176.431 176.300 0.025 0.000 1.121 238 R CA 0.478 56.589 56.100 0.020 0.000 1.207 238 R CB -0.087 30.222 30.300 0.015 0.000 1.141 238 R HN 0.857 nan 8.270 nan 0.000 0.571 239 D N -0.289 120.128 120.400 0.029 0.000 2.340 239 D HA 0.131 4.771 4.640 -0.000 0.000 0.220 239 D C 1.709 178.021 176.300 0.020 0.000 1.039 239 D CA 1.250 55.273 54.000 0.038 0.000 0.866 239 D CB 0.229 41.062 40.800 0.054 0.000 0.913 239 D HN 0.685 nan 8.370 nan 0.000 0.523 240 A N 0.218 123.045 122.820 0.010 0.000 2.066 240 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 240 A C 2.167 179.742 177.584 -0.016 0.000 1.157 240 A CA 0.498 52.534 52.037 -0.002 0.000 0.670 240 A CB -0.321 18.682 19.000 0.005 0.000 0.804 240 A HN 0.198 nan 8.150 nan 0.000 0.453 241 V N 0.010 119.918 119.914 -0.010 0.000 2.970 241 V HA -0.101 4.019 4.120 -0.000 0.000 0.260 241 V C 2.090 178.152 176.094 -0.053 0.000 1.100 241 V CA 1.315 63.600 62.300 -0.024 0.000 1.122 241 V CB -0.462 31.354 31.823 -0.012 0.000 0.721 241 V HN 0.597 nan 8.190 nan 0.000 0.483 242 L N 0.079 121.278 121.223 -0.040 0.000 2.191 242 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 242 L C 2.740 179.546 176.870 -0.106 0.000 1.103 242 L CA 1.470 56.275 54.840 -0.059 0.000 0.769 242 L CB -0.853 41.201 42.059 -0.008 0.000 0.908 242 L HN 0.462 nan 8.230 nan 0.000 0.438 243 A N 0.381 123.138 122.820 -0.106 0.000 1.898 243 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 243 A C 2.410 179.866 177.584 -0.213 0.000 1.181 243 A CA 1.638 53.582 52.037 -0.155 0.000 0.620 243 A CB -1.057 17.849 19.000 -0.157 0.000 0.819 243 A HN 0.423 nan 8.150 nan 0.000 0.442 244 G N -0.860 107.826 108.800 -0.191 0.000 2.404 244 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.215 244 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.215 244 G C 1.599 176.382 174.900 -0.195 0.000 1.174 244 G CA 0.960 45.942 45.100 -0.197 0.000 0.780 244 G HN 0.618 nan 8.290 nan 0.000 0.537 245 Q N -0.297 119.393 119.800 -0.183 0.000 2.124 245 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 245 Q C 2.820 178.629 176.000 -0.317 0.000 0.977 245 Q CA 1.619 57.294 55.803 -0.214 0.000 0.850 245 Q CB -0.262 28.352 28.738 -0.206 0.000 0.901 245 Q HN 0.412 nan 8.270 nan 0.000 0.429 246 T N 0.460 114.793 114.554 -0.368 0.000 2.643 246 T HA -0.137 4.213 4.350 -0.000 0.000 0.264 246 T C 1.855 176.234 174.700 -0.534 0.000 1.045 246 T CA 1.315 63.052 62.100 -0.605 0.000 1.155 246 T CB -0.444 68.163 68.868 -0.435 0.000 0.863 246 T HN 0.162 nan 8.240 nan 0.000 0.420 247 V N 1.283 120.991 119.914 -0.343 0.000 2.688 247 V HA -0.182 3.938 4.120 -0.000 0.000 0.256 247 V C 2.372 178.335 176.094 -0.218 0.000 1.084 247 V CA 2.116 64.260 62.300 -0.260 0.000 1.103 247 V CB -0.684 31.000 31.823 -0.231 0.000 0.688 247 V HN 0.449 nan 8.190 nan 0.000 0.480 248 S N 0.698 116.266 115.700 -0.220 0.000 2.355 248 S HA -0.104 4.366 4.470 -0.000 0.000 0.222 248 S C 1.588 176.172 174.600 -0.028 0.000 1.031 248 S CA 1.704 59.816 58.200 -0.146 0.000 0.993 248 S CB -0.119 63.000 63.200 -0.134 0.000 0.859 248 S HN 0.890 nan 8.310 nan 0.000 0.453 249 S N -0.257 115.393 115.700 -0.084 0.000 2.846 249 S HA 0.372 4.842 4.470 -0.000 0.000 0.249 249 S C 1.030 175.608 174.600 -0.036 0.000 1.028 249 S CA -0.453 57.771 58.200 0.040 0.000 1.043 249 S CB -0.264 62.969 63.200 0.054 0.000 0.990 249 S HN 0.458 nan 8.310 nan 0.000 0.564 250 I N 2.828 123.244 120.570 -0.256 0.000 2.546 250 I HA -0.143 4.027 4.170 -0.000 0.000 0.255 250 I C 2.240 178.408 176.117 0.084 0.000 1.163 250 I CA 1.706 62.916 61.300 -0.150 0.000 1.457 250 I CB -0.182 37.557 38.000 -0.435 0.000 1.092 250 I HN 0.487 nan 8.210 nan 0.000 0.434 251 T N -1.538 113.035 114.554 0.031 0.000 3.072 251 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 251 T C 1.648 176.347 174.700 -0.002 0.000 1.127 251 T CA 0.743 62.862 62.100 0.033 0.000 1.107 251 T CB -0.374 68.515 68.868 0.035 0.000 0.910 251 T HN 0.355 nan 8.240 nan 0.000 0.513 252 M N 0.126 119.682 119.600 -0.074 0.000 2.394 252 M HA 0.122 4.602 4.480 -0.000 0.000 0.264 252 M C 1.568 177.950 176.300 0.137 0.000 1.073 252 M CA 0.773 56.008 55.300 -0.108 0.000 1.111 252 M CB -0.596 31.914 32.600 -0.151 0.000 1.401 252 M HN 0.210 nan 8.290 nan 0.000 0.448 253 L N 0.358 121.682 121.223 0.168 0.000 2.187 253 L HA -0.088 4.252 4.340 -0.000 0.000 0.213 253 L C 2.621 179.584 176.870 0.156 0.000 1.100 253 L CA 1.632 56.593 54.840 0.202 0.000 0.765 253 L CB -1.489 40.659 42.059 0.148 0.000 0.904 253 L HN 0.321 nan 8.230 nan 0.000 0.437 254 G N -0.027 108.816 108.800 0.071 0.000 2.422 254 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 254 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 254 G C 1.612 176.510 174.900 -0.003 0.000 1.140 254 G CA 0.942 46.052 45.100 0.016 0.000 0.775 254 G HN 0.542 nan 8.290 nan 0.000 0.545 255 I N -2.374 118.169 120.570 -0.044 0.000 2.353 255 I HA 0.027 4.197 4.170 -0.000 0.000 0.248 255 I C 2.344 178.317 176.117 -0.240 0.000 1.119 255 I CA 1.025 62.228 61.300 -0.162 0.000 1.417 255 I CB -0.374 37.469 38.000 -0.262 0.000 1.078 255 I HN 0.125 nan 8.210 nan 0.000 0.421 256 Y N 1.430 121.727 120.300 -0.006 0.000 2.263 256 Y HA 0.102 4.652 4.550 0.000 0.000 0.292 256 Y C 2.751 178.653 175.900 0.003 0.000 1.130 256 Y CA 1.354 59.453 58.100 -0.002 0.000 1.179 256 Y CB -0.751 37.702 38.460 -0.012 0.000 0.998 256 Y HN 0.261 nan 8.280 nan 0.000 0.532 257 A N 0.152 123.050 122.820 0.130 0.000 1.969 257 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 257 A C 2.526 180.134 177.584 0.039 0.000 1.169 257 A CA 1.647 53.728 52.037 0.074 0.000 0.635 257 A CB -1.403 17.627 19.000 0.049 0.000 0.810 257 A HN 0.467 nan 8.150 nan 0.000 0.445 258 G N 0.187 108.993 108.800 0.010 0.000 2.404 258 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.215 258 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.215 258 G C 1.509 176.409 174.900 0.000 0.000 1.174 258 G CA 1.094 46.191 45.100 -0.005 0.000 0.780 258 G HN 0.477 nan 8.290 nan 0.000 0.537 259 I N 1.378 121.940 120.570 -0.014 0.000 2.286 259 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 259 I C 3.282 179.425 176.117 0.043 0.000 1.115 259 I CA 0.925 62.229 61.300 0.006 0.000 1.392 259 I CB -0.266 37.732 38.000 -0.004 0.000 1.065 259 I HN 0.255 nan 8.210 nan 0.000 0.418 260 A N 0.382 123.236 122.820 0.057 0.000 1.858 260 A HA -0.290 4.030 4.320 -0.000 0.000 0.216 260 A C 2.256 179.873 177.584 0.054 0.000 1.190 260 A CA 1.917 53.992 52.037 0.064 0.000 0.617 260 A CB -0.739 18.303 19.000 0.070 0.000 0.827 260 A HN 0.380 nan 8.150 nan 0.000 0.443 261 Q N 0.012 119.840 119.800 0.046 0.000 2.112 261 Q HA -0.137 4.203 4.340 -0.000 0.000 0.206 261 Q C 2.010 178.036 176.000 0.044 0.000 0.987 261 Q CA 2.377 58.206 55.803 0.044 0.000 0.858 261 Q CB -0.677 28.081 28.738 0.034 0.000 0.905 261 Q HN 0.584 nan 8.270 nan 0.000 0.420 262 A N 0.304 123.147 122.820 0.040 0.000 1.851 262 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 262 A C 2.344 179.960 177.584 0.053 0.000 1.195 262 A CA 2.322 54.384 52.037 0.041 0.000 0.622 262 A CB -1.474 17.546 19.000 0.034 0.000 0.831 262 A HN 0.558 nan 8.150 nan 0.000 0.444 263 A N -0.559 122.294 122.820 0.056 0.000 1.917 263 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 263 A C 2.293 179.910 177.584 0.055 0.000 1.182 263 A CA 1.993 54.065 52.037 0.058 0.000 0.633 263 A CB -0.606 18.430 19.000 0.060 0.000 0.819 263 A HN 0.558 nan 8.150 nan 0.000 0.448 264 R N -0.424 120.110 120.500 0.056 0.000 2.082 264 R HA -0.203 4.137 4.340 -0.000 0.000 0.234 264 R C 1.656 177.994 176.300 0.065 0.000 1.136 264 R CA 2.095 58.230 56.100 0.058 0.000 0.935 264 R CB -0.586 29.749 30.300 0.059 0.000 0.842 264 R HN 0.463 nan 8.270 nan 0.000 0.430 265 D N 0.479 120.916 120.400 0.063 0.000 2.149 265 D HA -0.208 4.432 4.640 -0.000 0.000 0.194 265 D C 1.885 178.235 176.300 0.082 0.000 1.001 265 D CA 1.364 55.403 54.000 0.065 0.000 0.849 265 D CB -0.167 40.666 40.800 0.055 0.000 0.939 265 D HN 0.239 nan 8.370 nan 0.000 0.449 266 I N 0.936 121.560 120.570 0.089 0.000 2.094 266 I HA -0.190 3.980 4.170 -0.000 0.000 0.234 266 I C 2.570 178.773 176.117 0.143 0.000 1.063 266 I CA 1.044 62.417 61.300 0.121 0.000 1.328 266 I CB -1.587 36.489 38.000 0.127 0.000 1.058 266 I HN -0.076 nan 8.210 nan 0.000 0.400 267 A N 0.732 123.608 122.820 0.094 0.000 1.917 267 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 267 A C 2.545 180.219 177.584 0.150 0.000 1.182 267 A CA 2.205 54.295 52.037 0.088 0.000 0.633 267 A CB -1.058 17.959 19.000 0.028 0.000 0.819 267 A HN 0.296 nan 8.150 nan 0.000 0.448 268 V N -0.486 119.497 119.914 0.115 0.000 2.453 268 V HA -0.097 4.023 4.120 -0.000 0.000 0.247 268 V C 2.742 178.903 176.094 0.112 0.000 1.048 268 V CA 1.715 64.077 62.300 0.103 0.000 1.049 268 V CB -1.178 30.689 31.823 0.073 0.000 0.672 268 V HN 0.620 nan 8.190 nan 0.000 0.457 269 G N -1.014 107.859 108.800 0.121 0.000 2.443 269 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 269 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 269 G C 1.502 176.478 174.900 0.128 0.000 1.131 269 G CA 0.782 45.945 45.100 0.104 0.000 0.775 269 G HN 0.523 nan 8.290 nan 0.000 0.547 270 F N 0.216 120.191 119.950 0.040 0.000 2.270 270 F HA 0.103 4.630 4.527 -0.000 0.000 0.295 270 F C 2.466 178.284 175.800 0.030 0.000 1.087 270 F CA 0.780 58.806 58.000 0.043 0.000 1.365 270 F CB -0.369 38.670 39.000 0.065 0.000 1.056 270 F HN 0.164 nan 8.300 nan 0.000 0.506 271 C N 0.426 119.867 119.300 0.235 0.000 2.457 271 C HA 0.108 4.568 4.460 -0.000 0.000 0.278 271 C C 3.058 178.046 174.990 -0.005 0.000 1.309 271 C CA 1.265 60.358 59.018 0.125 0.000 1.735 271 C CB -1.644 26.189 27.740 0.156 0.000 1.992 271 C HN 0.597 nan 8.230 nan 0.000 0.493 272 A N -0.175 122.649 122.820 0.006 0.000 1.968 272 A HA 0.162 4.482 4.320 -0.000 0.000 0.217 272 A C 2.184 179.734 177.584 -0.057 0.000 1.169 272 A CA 1.600 53.628 52.037 -0.015 0.000 0.638 272 A CB -1.006 17.998 19.000 0.007 0.000 0.812 272 A HN 0.625 nan 8.150 nan 0.000 0.446 273 G N -1.110 107.632 108.800 -0.097 0.000 3.061 273 G HA2 0.062 4.021 3.960 -0.000 0.000 0.208 273 G HA3 0.062 4.021 3.960 -0.000 0.000 0.208 273 G C 1.301 176.077 174.900 -0.207 0.000 1.175 273 G CA 0.580 45.599 45.100 -0.135 0.000 0.812 273 G HN 0.416 nan 8.290 nan 0.000 0.523 274 R N 0.492 120.870 120.500 -0.203 0.000 2.189 274 R HA 0.316 4.656 4.340 -0.000 0.000 0.203 274 R C 1.345 177.581 176.300 -0.107 0.000 1.012 274 R CA 0.822 56.803 56.100 -0.198 0.000 1.015 274 R CB -0.404 29.788 30.300 -0.180 0.000 0.938 274 R HN 0.491 nan 8.270 nan 0.000 0.472 275 G N -1.064 107.690 108.800 -0.077 0.000 2.814 275 G HA2 0.242 4.202 3.960 -0.000 0.000 0.677 275 G HA3 0.242 4.202 3.960 -0.000 0.000 0.677 275 G C 0.514 175.393 174.900 -0.035 0.000 1.429 275 G CA -0.284 44.787 45.100 -0.049 0.000 0.868 275 G HN 0.982 nan 8.290 nan 0.000 0.553 276 G N -0.135 108.650 108.800 -0.025 0.000 2.528 276 G HA2 0.268 4.228 3.960 -0.000 0.000 0.262 276 G HA3 0.268 4.228 3.960 -0.000 0.000 0.262 276 G C 0.188 175.080 174.900 -0.013 0.000 1.200 276 G CA 1.326 46.415 45.100 -0.018 0.000 0.951 276 G HN 2.488 nan 8.290 nan 0.000 0.566 277 E N 1.906 122.101 120.200 -0.010 0.000 2.151 277 E HA 0.568 4.918 4.350 -0.000 0.000 0.275 277 E C -2.309 174.289 176.600 -0.003 0.000 0.936 277 E CA -1.821 54.576 56.400 -0.005 0.000 0.777 277 E CB 1.804 31.502 29.700 -0.004 0.000 1.108 277 E HN 0.615 nan 8.360 nan 0.000 0.401 278 P HA 0.233 nan 4.420 nan 0.000 0.275 278 P C -0.243 177.062 177.300 0.009 0.000 1.228 278 P CA -0.569 62.535 63.100 0.007 0.000 0.786 278 P CB 0.962 32.669 31.700 0.011 0.000 0.927 279 R N 1.542 122.050 120.500 0.013 0.000 2.827 279 R HA 0.283 4.623 4.340 -0.000 0.000 0.269 279 R C 1.558 177.864 176.300 0.010 0.000 1.048 279 R CA 0.845 56.951 56.100 0.011 0.000 1.173 279 R CB -0.215 30.093 30.300 0.014 0.000 1.070 279 R HN 0.585 nan 8.270 nan 0.000 0.498 280 A N 2.380 125.204 122.820 0.006 0.000 1.841 280 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 280 A C 2.098 179.685 177.584 0.006 0.000 1.199 280 A CA 2.008 54.047 52.037 0.005 0.000 0.621 280 A CB -1.727 17.275 19.000 0.002 0.000 0.835 280 A HN 0.873 nan 8.150 nan 0.000 0.445 281 G N -0.837 107.966 108.800 0.005 0.000 2.475 281 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.220 281 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.220 281 G C 1.645 176.551 174.900 0.009 0.000 1.125 281 G CA 1.646 46.749 45.100 0.005 0.000 0.755 281 G HN 0.898 nan 8.290 nan 0.000 0.565 282 A N 0.855 123.684 122.820 0.014 0.000 1.898 282 A HA 0.034 4.354 4.320 -0.000 0.000 0.216 282 A C 2.453 180.050 177.584 0.021 0.000 1.181 282 A CA 1.412 53.463 52.037 0.022 0.000 0.620 282 A CB -0.320 18.700 19.000 0.033 0.000 0.819 282 A HN 0.375 nan 8.150 nan 0.000 0.442 283 R N -0.338 120.172 120.500 0.016 0.000 2.120 283 R HA -0.052 4.288 4.340 -0.000 0.000 0.234 283 R C 2.405 178.712 176.300 0.011 0.000 1.123 283 R CA 1.113 57.222 56.100 0.014 0.000 0.975 283 R CB -0.461 29.845 30.300 0.009 0.000 0.866 283 R HN 0.501 nan 8.270 nan 0.000 0.446 284 A N 1.474 124.299 122.820 0.009 0.000 1.898 284 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 284 A C 2.195 179.785 177.584 0.009 0.000 1.181 284 A CA 0.951 52.992 52.037 0.007 0.000 0.620 284 A CB -0.448 18.554 19.000 0.004 0.000 0.819 284 A HN 0.151 nan 8.150 nan 0.000 0.442 285 L N -0.869 120.361 121.223 0.011 0.000 1.976 285 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 285 L C 2.606 179.487 176.870 0.019 0.000 1.071 285 L CA 1.653 56.501 54.840 0.013 0.000 0.746 285 L CB -0.547 41.519 42.059 0.011 0.000 0.890 285 L HN 0.342 nan 8.230 nan 0.000 0.432 286 V N -0.043 119.886 119.914 0.024 0.000 2.392 286 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 286 V C 2.547 178.657 176.094 0.026 0.000 1.059 286 V CA 1.925 64.243 62.300 0.030 0.000 1.051 286 V CB -0.168 31.676 31.823 0.034 0.000 0.658 286 V HN 0.468 nan 8.190 nan 0.000 0.455 287 A N -0.144 122.688 122.820 0.019 0.000 1.898 287 A HA 0.030 4.349 4.320 -0.000 0.000 0.216 287 A C 2.355 179.949 177.584 0.016 0.000 1.181 287 A CA 1.729 53.775 52.037 0.014 0.000 0.620 287 A CB -1.316 17.688 19.000 0.007 0.000 0.819 287 A HN 0.637 nan 8.150 nan 0.000 0.442 288 G N 0.665 109.475 108.800 0.017 0.000 2.404 288 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.215 288 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.215 288 G C 1.472 176.389 174.900 0.029 0.000 1.174 288 G CA 1.297 46.408 45.100 0.019 0.000 0.780 288 G HN 0.751 nan 8.290 nan 0.000 0.537 289 L N -0.653 120.589 121.223 0.032 0.000 2.093 289 L HA 0.195 4.535 4.340 -0.000 0.000 0.208 289 L C 1.854 178.757 176.870 0.055 0.000 1.085 289 L CA 1.951 56.816 54.840 0.042 0.000 0.755 289 L CB -0.776 41.306 42.059 0.040 0.000 0.904 289 L HN -0.105 nan 8.230 nan 0.000 0.435 290 D N 0.237 120.669 120.400 0.053 0.000 2.144 290 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 290 D C 2.134 178.487 176.300 0.089 0.000 0.984 290 D CA 1.793 55.834 54.000 0.068 0.000 0.834 290 D CB -0.128 40.702 40.800 0.050 0.000 0.955 290 D HN 0.442 nan 8.370 nan 0.000 0.465 291 T N 0.457 115.048 114.554 0.062 0.000 2.701 291 T HA -0.090 4.260 4.350 -0.000 0.000 0.263 291 T C 1.995 176.757 174.700 0.105 0.000 1.040 291 T CA 0.942 63.081 62.100 0.066 0.000 1.147 291 T CB -0.036 68.850 68.868 0.029 0.000 0.865 291 T HN 0.149 nan 8.240 nan 0.000 0.426 292 R N 0.514 121.060 120.500 0.077 0.000 2.091 292 R HA -0.013 4.327 4.340 -0.000 0.000 0.238 292 R C 2.394 178.747 176.300 0.088 0.000 1.136 292 R CA 0.981 57.124 56.100 0.072 0.000 0.959 292 R CB -0.655 29.675 30.300 0.051 0.000 0.856 292 R HN 0.214 nan 8.270 nan 0.000 0.437 293 L N -0.078 121.203 121.223 0.097 0.000 2.042 293 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 293 L C 2.151 179.088 176.870 0.111 0.000 1.076 293 L CA 1.682 56.578 54.840 0.094 0.000 0.749 293 L CB -0.536 41.580 42.059 0.093 0.000 0.893 293 L HN 0.105 nan 8.230 nan 0.000 0.432 294 Y N -0.143 120.177 120.300 0.033 0.000 2.145 294 Y HA -0.218 4.331 4.550 -0.000 0.000 0.286 294 Y C 2.428 178.348 175.900 0.035 0.000 1.145 294 Y CA 1.868 59.988 58.100 0.034 0.000 1.148 294 Y CB -0.566 37.911 38.460 0.029 0.000 0.981 294 Y HN 0.258 nan 8.280 nan 0.000 0.507 295 A N 0.188 123.149 122.820 0.235 0.000 1.917 295 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 295 A C 2.195 179.806 177.584 0.045 0.000 1.182 295 A CA 1.946 54.067 52.037 0.140 0.000 0.633 295 A CB -1.357 17.711 19.000 0.114 0.000 0.819 295 A HN 0.601 nan 8.150 nan 0.000 0.448 296 L N -0.161 121.086 121.223 0.040 0.000 2.012 296 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 296 L C 2.438 179.308 176.870 -0.001 0.000 1.073 296 L CA 2.329 57.183 54.840 0.023 0.000 0.748 296 L CB -0.546 41.535 42.059 0.036 0.000 0.891 296 L HN 0.375 nan 8.230 nan 0.000 0.431 297 R N -1.269 119.205 120.500 -0.043 0.000 2.075 297 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 297 R C 2.107 178.356 176.300 -0.085 0.000 1.126 297 R CA 1.702 57.762 56.100 -0.066 0.000 0.963 297 R CB -0.837 29.396 30.300 -0.113 0.000 0.858 297 R HN 0.405 nan 8.270 nan 0.000 0.435 298 T N 0.295 114.744 114.554 -0.175 0.000 2.708 298 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 298 T C 1.863 176.550 174.700 -0.021 0.000 1.037 298 T CA 1.841 63.857 62.100 -0.140 0.000 1.146 298 T CB -0.276 68.482 68.868 -0.183 0.000 0.865 298 T HN 0.283 nan 8.240 nan 0.000 0.435 299 T N 2.311 116.867 114.554 0.003 0.000 2.674 299 T HA -0.117 4.233 4.350 -0.000 0.000 0.265 299 T C 2.291 177.029 174.700 0.063 0.000 1.039 299 T CA 1.736 63.858 62.100 0.038 0.000 1.150 299 T CB -0.586 68.305 68.868 0.038 0.000 0.864 299 T HN 0.420 nan 8.240 nan 0.000 0.427 300 V N 0.428 120.379 119.914 0.061 0.000 2.720 300 V HA 0.064 4.184 4.120 -0.000 0.000 0.256 300 V C 2.456 178.624 176.094 0.124 0.000 1.082 300 V CA 1.798 64.152 62.300 0.091 0.000 1.101 300 V CB -1.533 30.337 31.823 0.078 0.000 0.693 300 V HN 0.453 nan 8.190 nan 0.000 0.479 301 G N 0.184 109.053 108.800 0.115 0.000 2.404 301 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.215 301 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.215 301 G C 1.723 176.708 174.900 0.142 0.000 1.174 301 G CA 1.079 46.300 45.100 0.201 0.000 0.780 301 G HN 0.836 nan 8.290 nan 0.000 0.537 302 A N 1.105 123.970 122.820 0.075 0.000 1.930 302 A HA 0.337 4.657 4.320 -0.000 0.000 0.217 302 A C 2.779 180.412 177.584 0.081 0.000 1.175 302 A CA 2.053 54.120 52.037 0.050 0.000 0.627 302 A CB -0.706 18.319 19.000 0.042 0.000 0.815 302 A HN 0.763 nan 8.150 nan 0.000 0.443 303 A N -0.253 122.637 122.820 0.116 0.000 1.972 303 A HA -0.032 4.288 4.320 -0.000 0.000 0.219 303 A C 2.160 179.828 177.584 0.140 0.000 1.169 303 A CA 1.474 53.599 52.037 0.146 0.000 0.635 303 A CB -0.500 18.608 19.000 0.180 0.000 0.810 303 A HN 0.483 nan 8.150 nan 0.000 0.446 304 L N -0.426 120.889 121.223 0.152 0.000 2.007 304 L HA -0.135 4.205 4.340 -0.000 0.000 0.205 304 L C 2.976 179.915 176.870 0.114 0.000 1.073 304 L CA 1.824 56.759 54.840 0.159 0.000 0.744 304 L CB -1.139 41.082 42.059 0.270 0.000 0.898 304 L HN 0.592 nan 8.230 nan 0.000 0.435 305 T N -3.121 111.478 114.554 0.075 0.000 2.946 305 T HA -0.206 4.144 4.350 -0.000 0.000 0.271 305 T C 1.431 176.131 174.700 -0.001 0.000 1.104 305 T CA 1.731 63.816 62.100 -0.025 0.000 1.114 305 T CB -0.565 68.217 68.868 -0.142 0.000 0.867 305 T HN 0.277 nan 8.240 nan 0.000 0.513 306 N N 1.377 120.095 118.700 0.030 0.000 2.368 306 N HA 0.231 4.971 4.740 -0.000 0.000 0.176 306 N C 1.985 177.511 175.510 0.026 0.000 1.021 306 N CA 0.843 53.912 53.050 0.032 0.000 0.888 306 N CB -0.462 38.060 38.487 0.058 0.000 0.995 306 N HN 0.440 nan 8.380 nan 0.000 0.437 307 A N -0.156 122.681 122.820 0.028 0.000 2.014 307 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 307 A C 1.528 179.102 177.584 -0.016 0.000 1.163 307 A CA 1.249 53.283 52.037 -0.005 0.000 0.652 307 A CB -0.248 18.737 19.000 -0.024 0.000 0.808 307 A HN 0.263 nan 8.150 nan 0.000 0.449 308 D N 0.024 120.425 120.400 0.003 0.000 2.162 308 D HA 0.070 4.710 4.640 -0.000 0.000 0.203 308 D C 2.146 178.445 176.300 -0.001 0.000 0.967 308 D CA 1.306 55.308 54.000 0.003 0.000 0.840 308 D CB -0.248 40.565 40.800 0.022 0.000 0.972 308 D HN 0.390 nan 8.370 nan 0.000 0.482 309 A N 0.561 123.380 122.820 -0.002 0.000 2.014 309 A HA 0.138 4.458 4.320 -0.000 0.000 0.218 309 A C 2.097 179.679 177.584 -0.003 0.000 1.163 309 A CA 1.552 53.587 52.037 -0.002 0.000 0.652 309 A CB -0.201 18.798 19.000 -0.002 0.000 0.808 309 A HN 0.199 nan 8.150 nan 0.000 0.449 310 A N -1.453 121.363 122.820 -0.008 0.000 2.195 310 A HA 0.250 4.570 4.320 -0.000 0.000 0.210 310 A C 2.133 179.699 177.584 -0.030 0.000 1.165 310 A CA 1.235 53.264 52.037 -0.014 0.000 0.806 310 A CB -0.373 18.620 19.000 -0.012 0.000 0.847 310 A HN 0.420 nan 8.150 nan 0.000 0.482 311 S N -0.513 115.166 115.700 -0.034 0.000 2.388 311 S HA -0.068 4.402 4.470 -0.000 0.000 0.223 311 S C 1.804 176.394 174.600 -0.015 0.000 1.034 311 S CA 1.803 59.971 58.200 -0.054 0.000 0.963 311 S CB -0.194 62.968 63.200 -0.062 0.000 0.827 311 S HN 0.740 nan 8.310 nan 0.000 0.481 312 V N -1.496 118.422 119.914 0.007 0.000 2.908 312 V HA 0.347 4.467 4.120 -0.000 0.000 0.240 312 V C 0.907 177.014 176.094 0.023 0.000 1.117 312 V CA 0.592 62.911 62.300 0.032 0.000 1.133 312 V CB -0.613 31.236 31.823 0.043 0.000 0.857 312 V HN 0.283 nan 8.190 nan 0.000 0.478 313 D N 1.361 121.768 120.400 0.012 0.000 2.713 313 D HA 0.381 5.021 4.640 -0.000 0.000 0.229 313 D C -0.704 175.598 176.300 0.003 0.000 1.136 313 D CA 0.302 54.308 54.000 0.009 0.000 1.010 313 D CB 0.042 40.846 40.800 0.007 0.000 1.084 313 D HN 0.442 nan 8.370 nan 0.000 0.495 314 L N 0.897 122.121 121.223 0.002 0.000 2.735 314 L HA 0.092 4.432 4.340 -0.000 0.000 0.258 314 L C -0.009 176.855 176.870 -0.009 0.000 0.920 314 L CA -0.129 54.708 54.840 -0.004 0.000 0.958 314 L CB 1.729 43.783 42.059 -0.009 0.000 1.499 314 L HN -0.005 nan 8.230 nan 0.000 0.441 315 S N 0.639 116.334 115.700 -0.009 0.000 2.817 315 S HA 0.322 4.791 4.470 -0.000 0.000 0.262 315 S C 0.523 175.116 174.600 -0.012 0.000 1.051 315 S CA 0.127 58.319 58.200 -0.014 0.000 1.185 315 S CB 0.820 64.015 63.200 -0.008 0.000 1.152 315 S HN 0.749 nan 8.310 nan 0.000 0.653 316 G N 1.543 110.338 108.800 -0.009 0.000 2.468 316 G HA2 0.324 4.284 3.960 -0.000 0.000 0.264 316 G HA3 0.324 4.284 3.960 -0.000 0.000 0.264 316 G C -0.454 174.442 174.900 -0.007 0.000 1.460 316 G CA -0.333 44.763 45.100 -0.006 0.000 1.060 316 G HN 0.295 nan 8.290 nan 0.000 0.543 317 D N 0.410 120.808 120.400 -0.004 0.000 2.571 317 D HA 0.012 4.652 4.640 -0.000 0.000 0.231 317 D C -0.769 175.528 176.300 -0.004 0.000 1.133 317 D CA -1.087 52.911 54.000 -0.003 0.000 0.862 317 D CB 1.303 42.103 40.800 0.000 0.000 1.179 317 D HN 0.018 nan 8.370 nan 0.000 0.474 318 P HA -0.010 nan 4.420 nan 0.000 0.235 318 P C 0.182 177.481 177.300 -0.002 0.000 1.177 318 P CA 0.447 63.544 63.100 -0.004 0.000 0.785 318 P CB 0.567 32.267 31.700 0.001 0.000 0.885 319 D N -0.187 120.215 120.400 0.003 0.000 2.240 319 D HA -0.066 4.574 4.640 -0.000 0.000 0.206 319 D C 2.037 178.345 176.300 0.012 0.000 0.963 319 D CA 0.768 54.774 54.000 0.009 0.000 0.863 319 D CB -0.176 40.631 40.800 0.012 0.000 0.973 319 D HN 0.113 nan 8.370 nan 0.000 0.501 320 E N 1.028 121.233 120.200 0.008 0.000 2.047 320 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 320 E C 2.039 178.645 176.600 0.009 0.000 0.987 320 E CA 0.740 57.146 56.400 0.011 0.000 0.799 320 E CB -0.132 29.572 29.700 0.007 0.000 0.752 320 E HN 0.299 nan 8.360 nan 0.000 0.449 321 R N 0.627 121.125 120.500 -0.002 0.000 2.341 321 R HA -0.011 4.329 4.340 -0.000 0.000 0.213 321 R C 1.936 178.225 176.300 -0.019 0.000 1.082 321 R CA 1.407 57.499 56.100 -0.013 0.000 1.017 321 R CB -1.084 29.200 30.300 -0.026 0.000 0.860 321 R HN 0.119 nan 8.270 nan 0.000 0.473 322 G N 0.505 109.302 108.800 -0.006 0.000 2.441 322 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.212 322 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.212 322 G C 1.385 176.305 174.900 0.033 0.000 1.164 322 G CA -0.036 45.062 45.100 -0.004 0.000 0.811 322 G HN 0.302 nan 8.290 nan 0.000 0.535 323 R N 0.100 120.635 120.500 0.057 0.000 2.075 323 R HA 0.086 4.426 4.340 -0.000 0.000 0.226 323 R C 2.991 179.341 176.300 0.083 0.000 1.114 323 R CA 1.061 57.223 56.100 0.103 0.000 0.972 323 R CB -0.372 29.977 30.300 0.081 0.000 0.869 323 R HN 0.305 nan 8.270 nan 0.000 0.437 324 R N 1.046 121.576 120.500 0.050 0.000 2.200 324 R HA -0.072 4.268 4.340 -0.000 0.000 0.234 324 R C 1.855 178.185 176.300 0.049 0.000 1.127 324 R CA 1.867 57.994 56.100 0.046 0.000 0.989 324 R CB -0.936 29.381 30.300 0.029 0.000 0.869 324 R HN 0.287 nan 8.270 nan 0.000 0.459 325 M N -1.917 117.706 119.600 0.037 0.000 2.557 325 M HA 0.201 4.681 4.480 -0.000 0.000 0.262 325 M C 2.445 178.787 176.300 0.069 0.000 1.168 325 M CA 1.159 56.474 55.300 0.025 0.000 1.194 325 M CB 0.151 32.728 32.600 -0.039 0.000 1.311 325 M HN 0.341 nan 8.290 nan 0.000 0.489 326 M N 0.516 120.161 119.600 0.075 0.000 2.213 326 M HA -0.106 4.374 4.480 -0.000 0.000 0.263 326 M C 1.779 178.217 176.300 0.230 0.000 1.062 326 M CA 1.909 57.297 55.300 0.147 0.000 1.105 326 M CB -0.498 32.139 32.600 0.062 0.000 1.385 326 M HN 0.120 nan 8.290 nan 0.000 0.417 327 T N 1.794 116.459 114.554 0.184 0.000 2.639 327 T HA -0.025 4.325 4.350 -0.000 0.000 0.261 327 T C -0.851 173.691 174.700 -0.263 0.000 1.053 327 T CA 1.844 63.943 62.100 -0.001 0.000 1.158 327 T CB -1.557 67.250 68.868 -0.101 0.000 0.863 327 T HN 0.338 nan 8.240 nan 0.000 0.413 328 P HA -0.105 nan 4.420 nan 0.000 0.221 328 P C 1.408 178.809 177.300 0.168 0.000 1.145 328 P CA 1.037 64.232 63.100 0.159 0.000 0.795 328 P CB -0.285 31.544 31.700 0.215 0.000 0.775 329 F N 1.518 121.470 119.950 0.004 0.000 2.075 329 F HA -0.184 4.343 4.527 0.000 0.000 0.297 329 F C 2.316 178.124 175.800 0.013 0.000 1.113 329 F CA 1.388 59.392 58.000 0.007 0.000 1.218 329 F CB -0.619 38.363 39.000 -0.029 0.000 0.984 329 F HN -0.241 nan 8.300 nan 0.000 0.472 330 Q N -0.108 119.522 119.800 -0.284 0.000 2.234 330 Q HA -0.200 4.140 4.340 -0.000 0.000 0.206 330 Q C 1.960 177.878 176.000 -0.136 0.000 0.980 330 Q CA 1.410 57.017 55.803 -0.328 0.000 0.869 330 Q CB -0.761 27.947 28.738 -0.049 0.000 0.912 330 Q HN 0.576 nan 8.270 nan 0.000 0.436 331 Y N 0.143 120.425 120.300 -0.030 0.000 2.220 331 Y HA -0.073 4.477 4.550 -0.000 0.000 0.291 331 Y C 2.379 178.251 175.900 -0.047 0.000 1.129 331 Y CA 0.680 58.772 58.100 -0.013 0.000 1.161 331 Y CB -0.931 37.541 38.460 0.020 0.000 0.997 331 Y HN 0.101 nan 8.280 nan 0.000 0.522 332 A N -0.015 122.868 122.820 0.105 0.000 1.898 332 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 332 A C 2.313 179.859 177.584 -0.063 0.000 1.181 332 A CA 1.789 53.847 52.037 0.035 0.000 0.620 332 A CB -0.610 18.428 19.000 0.063 0.000 0.819 332 A HN 0.390 nan 8.150 nan 0.000 0.442 333 K N -1.157 119.115 120.400 -0.213 0.000 2.026 333 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 333 K C 2.070 178.577 176.600 -0.155 0.000 1.048 333 K CA 1.851 57.973 56.287 -0.276 0.000 0.929 333 K CB -0.254 31.929 32.500 -0.528 0.000 0.713 333 K HN 0.365 nan 8.250 nan 0.000 0.439 334 M N 0.675 120.225 119.600 -0.083 0.000 2.149 334 M HA -0.173 4.307 4.480 -0.000 0.000 0.261 334 M C 1.785 178.081 176.300 -0.005 0.000 1.064 334 M CA 1.851 57.151 55.300 0.000 0.000 1.102 334 M CB -0.201 32.449 32.600 0.084 0.000 1.369 334 M HN 0.126 nan 8.290 nan 0.000 0.408 335 T N -0.984 113.570 114.554 -0.001 0.000 2.732 335 T HA -0.103 4.247 4.350 -0.000 0.000 0.261 335 T C 1.738 176.425 174.700 -0.022 0.000 1.040 335 T CA 1.591 63.690 62.100 -0.001 0.000 1.145 335 T CB -0.516 68.362 68.868 0.016 0.000 0.866 335 T HN 0.326 nan 8.240 nan 0.000 0.427 336 V N 2.484 122.375 119.914 -0.038 0.000 2.490 336 V HA -0.129 3.990 4.120 -0.000 0.000 0.250 336 V C 1.991 178.030 176.094 -0.091 0.000 1.061 336 V CA 1.613 63.887 62.300 -0.043 0.000 1.064 336 V CB -0.608 31.194 31.823 -0.035 0.000 0.670 336 V HN 0.416 nan 8.190 nan 0.000 0.461 337 N N 0.681 119.297 118.700 -0.140 0.000 2.453 337 N HA -0.135 4.605 4.740 -0.000 0.000 0.183 337 N C 1.635 177.065 175.510 -0.133 0.000 1.041 337 N CA 1.689 54.630 53.050 -0.182 0.000 0.900 337 N CB 0.018 38.389 38.487 -0.192 0.000 0.961 337 N HN 0.922 nan 8.380 nan 0.000 0.443 338 E N -1.274 118.874 120.200 -0.087 0.000 2.421 338 E HA 0.060 4.410 4.350 -0.000 0.000 0.209 338 E C 1.409 177.988 176.600 -0.035 0.000 0.871 338 E CA -0.141 56.216 56.400 -0.071 0.000 1.064 338 E CB -0.279 29.380 29.700 -0.068 0.000 1.075 338 E HN -0.048 nan 8.360 nan 0.000 0.513 339 L N 1.134 122.345 121.223 -0.021 0.000 2.307 339 L HA 0.279 4.619 4.340 -0.000 0.000 0.211 339 L C 2.227 179.110 176.870 0.021 0.000 1.099 339 L CA 1.363 56.205 54.840 0.004 0.000 0.816 339 L CB 0.012 42.078 42.059 0.012 0.000 0.952 339 L HN 0.319 nan 8.230 nan 0.000 0.455 340 A N 0.766 123.598 122.820 0.019 0.000 1.843 340 A HA 0.039 4.359 4.320 -0.000 0.000 0.213 340 A C -0.420 177.199 177.584 0.058 0.000 1.202 340 A CA 1.302 53.370 52.037 0.053 0.000 0.607 340 A CB -1.830 17.221 19.000 0.086 0.000 0.847 340 A HN 0.353 nan 8.150 nan 0.000 0.445 341 P HA -0.015 nan 4.420 nan 0.000 0.234 341 P C 1.124 178.468 177.300 0.073 0.000 1.167 341 P CA 1.485 64.613 63.100 0.048 0.000 0.763 341 P CB 0.045 31.735 31.700 -0.017 0.000 0.835 342 A N 0.543 123.391 122.820 0.047 0.000 1.935 342 A HA -0.025 4.295 4.320 -0.000 0.000 0.214 342 A C 2.284 179.899 177.584 0.052 0.000 1.178 342 A CA 1.473 53.536 52.037 0.044 0.000 0.640 342 A CB -1.348 17.666 19.000 0.023 0.000 0.825 342 A HN 0.183 nan 8.150 nan 0.000 0.447 343 V N -1.020 118.927 119.914 0.056 0.000 2.649 343 V HA -0.079 4.041 4.120 -0.000 0.000 0.248 343 V C 2.250 178.381 176.094 0.061 0.000 1.054 343 V CA 1.743 64.076 62.300 0.054 0.000 1.073 343 V CB -0.854 31.003 31.823 0.056 0.000 0.699 343 V HN 0.603 nan 8.190 nan 0.000 0.463 344 V N -0.332 119.634 119.914 0.087 0.000 2.809 344 V HA -0.135 3.985 4.120 -0.000 0.000 0.256 344 V C 2.213 178.365 176.094 0.097 0.000 1.080 344 V CA 2.528 64.891 62.300 0.104 0.000 1.102 344 V CB -0.897 31.021 31.823 0.158 0.000 0.705 344 V HN 0.618 nan 8.190 nan 0.000 0.475 345 D N 0.424 120.890 120.400 0.111 0.000 2.183 345 D HA -0.140 4.500 4.640 -0.000 0.000 0.203 345 D C 1.750 178.042 176.300 -0.013 0.000 0.969 345 D CA 1.402 55.435 54.000 0.056 0.000 0.842 345 D CB -0.097 40.766 40.800 0.104 0.000 0.957 345 D HN 0.522 nan 8.370 nan 0.000 0.484 346 D N -0.874 119.531 120.400 0.007 0.000 2.183 346 D HA -0.055 4.585 4.640 -0.000 0.000 0.205 346 D C 2.011 178.298 176.300 -0.021 0.000 0.962 346 D CA 0.430 54.426 54.000 -0.007 0.000 0.849 346 D CB -0.293 40.513 40.800 0.010 0.000 0.978 346 D HN 0.313 nan 8.370 nan 0.000 0.488 347 C N 0.559 119.852 119.300 -0.012 0.000 2.435 347 C HA -0.043 4.417 4.460 -0.000 0.000 0.279 347 C C 2.648 177.583 174.990 -0.091 0.000 1.321 347 C CA -0.060 58.941 59.018 -0.027 0.000 1.752 347 C CB -0.852 26.886 27.740 -0.004 0.000 1.959 347 C HN 0.259 nan 8.230 nan 0.000 0.500 348 L N 1.903 123.062 121.223 -0.106 0.000 2.023 348 L HA -0.067 4.273 4.340 -0.000 0.000 0.205 348 L C 2.697 179.463 176.870 -0.174 0.000 1.073 348 L CA 2.411 57.144 54.840 -0.178 0.000 0.745 348 L CB -0.605 41.316 42.059 -0.231 0.000 0.900 348 L HN 0.393 nan 8.230 nan 0.000 0.435 349 S N -1.673 113.949 115.700 -0.131 0.000 2.607 349 S HA -0.065 4.405 4.470 -0.000 0.000 0.224 349 S C 1.646 176.197 174.600 -0.082 0.000 0.969 349 S CA 0.603 58.737 58.200 -0.110 0.000 0.927 349 S CB -0.403 62.746 63.200 -0.085 0.000 0.772 349 S HN 0.316 nan 8.310 nan 0.000 0.533 350 L N 0.576 121.750 121.223 -0.081 0.000 2.357 350 L HA 0.384 4.724 4.340 -0.000 0.000 0.211 350 L C 2.096 178.927 176.870 -0.065 0.000 1.075 350 L CA 0.820 55.637 54.840 -0.037 0.000 0.830 350 L CB -0.016 42.040 42.059 -0.005 0.000 0.996 350 L HN 0.184 nan 8.230 nan 0.000 0.467 351 V N -0.130 119.652 119.914 -0.221 0.000 2.878 351 V HA 0.407 4.527 4.120 -0.000 0.000 0.250 351 V C 1.267 177.112 176.094 -0.415 0.000 1.075 351 V CA 0.761 62.734 62.300 -0.545 0.000 1.096 351 V CB -0.929 30.478 31.823 -0.693 0.000 0.724 351 V HN 0.650 nan 8.190 nan 0.000 0.467 352 G N -0.439 108.217 108.800 -0.240 0.000 2.610 352 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.304 352 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.304 352 G C 0.670 175.478 174.900 -0.153 0.000 1.309 352 G CA -0.267 44.740 45.100 -0.154 0.000 0.906 352 G HN 0.633 nan 8.290 nan 0.000 0.521 353 G N -0.661 108.082 108.800 -0.095 0.000 2.485 353 G HA2 0.260 4.220 3.960 -0.000 0.000 0.221 353 G HA3 0.260 4.220 3.960 -0.000 0.000 0.221 353 G C 2.402 177.300 174.900 -0.003 0.000 1.115 353 G CA 3.336 48.402 45.100 -0.056 0.000 0.751 353 G HN 2.193 nan 8.290 nan 0.000 0.567 354 L N 0.057 121.265 121.223 -0.025 0.000 2.261 354 L HA 0.510 4.850 4.340 -0.000 0.000 0.216 354 L C 2.929 179.808 176.870 0.015 0.000 1.114 354 L CA 2.456 57.319 54.840 0.038 0.000 0.777 354 L CB -1.359 40.742 42.059 0.070 0.000 0.910 354 L HN 0.510 nan 8.230 nan 0.000 0.440 355 A N -3.165 119.532 122.820 -0.204 0.000 2.238 355 A HA 0.119 4.439 4.320 -0.000 0.000 0.208 355 A C 1.931 179.444 177.584 -0.120 0.000 1.177 355 A CA 0.655 52.431 52.037 -0.435 0.000 0.804 355 A CB -0.545 18.111 19.000 -0.574 0.000 0.823 355 A HN 0.827 nan 8.150 nan 0.000 0.482 356 Y N -0.004 120.208 120.300 -0.147 0.000 2.462 356 Y HA 0.191 4.741 4.550 -0.000 0.000 0.261 356 Y C 1.242 177.123 175.900 -0.031 0.000 1.146 356 Y CA 0.577 58.618 58.100 -0.098 0.000 1.283 356 Y CB -0.047 38.357 38.460 -0.093 0.000 1.090 356 Y HN 0.153 nan 8.280 nan 0.000 0.526 357 T N 0.165 114.745 114.554 0.043 0.000 2.884 357 T HA 0.348 4.698 4.350 -0.000 0.000 0.298 357 T C 1.450 176.142 174.700 -0.014 0.000 0.998 357 T CA 0.234 62.338 62.100 0.007 0.000 1.124 357 T CB 1.134 70.041 68.868 0.066 0.000 0.931 357 T HN 0.410 nan 8.240 nan 0.000 0.531 358 A N 4.186 126.974 122.820 -0.054 0.000 2.024 358 A HA 0.075 4.395 4.320 -0.000 0.000 0.220 358 A C 2.366 179.956 177.584 0.010 0.000 1.164 358 A CA 1.906 53.922 52.037 -0.035 0.000 0.643 358 A CB -1.091 17.882 19.000 -0.045 0.000 0.806 358 A HN 0.994 nan 8.150 nan 0.000 0.451 359 G N -1.660 107.153 108.800 0.021 0.000 2.422 359 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.218 359 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.218 359 G C 0.854 175.774 174.900 0.033 0.000 1.140 359 G CA 0.562 45.674 45.100 0.020 0.000 0.775 359 G HN 0.625 nan 8.290 nan 0.000 0.545 360 H N 1.566 120.629 119.070 -0.013 0.000 2.764 360 H HA 0.144 4.700 4.556 0.000 0.000 0.341 360 H C -1.104 174.220 175.328 -0.005 0.000 1.072 360 H CA -1.781 54.261 56.048 -0.011 0.000 1.444 360 H CB 2.069 31.816 29.762 -0.024 0.000 1.458 360 H HN 0.023 nan 8.280 nan 0.000 0.572 361 P HA -0.151 nan 4.420 nan 0.000 0.221 361 P C 1.620 179.040 177.300 0.201 0.000 1.150 361 P CA 0.386 63.598 63.100 0.187 0.000 0.800 361 P CB 0.480 32.247 31.700 0.112 0.000 0.787 362 L N 0.132 121.520 121.223 0.274 0.000 2.362 362 L HA -0.035 4.305 4.340 -0.000 0.000 0.219 362 L C 2.615 179.505 176.870 0.034 0.000 1.134 362 L CA 1.447 56.309 54.840 0.038 0.000 0.807 362 L CB -1.455 40.463 42.059 -0.235 0.000 0.927 362 L HN -0.024 nan 8.230 nan 0.000 0.447 363 S N -0.774 114.960 115.700 0.057 0.000 2.362 363 S HA -0.179 4.291 4.470 -0.000 0.000 0.221 363 S C 2.286 176.957 174.600 0.118 0.000 1.032 363 S CA 0.979 59.217 58.200 0.063 0.000 0.973 363 S CB -0.176 63.033 63.200 0.015 0.000 0.849 363 S HN 0.522 nan 8.310 nan 0.000 0.465 364 R N 0.541 121.098 120.500 0.095 0.000 2.080 364 R HA -0.018 4.322 4.340 -0.000 0.000 0.236 364 R C 2.332 178.691 176.300 0.098 0.000 1.137 364 R CA 1.854 58.005 56.100 0.085 0.000 0.943 364 R CB -0.648 29.693 30.300 0.067 0.000 0.846 364 R HN 0.474 nan 8.270 nan 0.000 0.431 365 L N -0.251 121.035 121.223 0.104 0.000 2.081 365 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 365 L C 2.425 179.377 176.870 0.137 0.000 1.080 365 L CA 1.583 56.484 54.840 0.101 0.000 0.754 365 L CB -0.585 41.532 42.059 0.096 0.000 0.893 365 L HN 0.350 nan 8.230 nan 0.000 0.433 366 Y N 0.515 120.834 120.300 0.032 0.000 2.403 366 Y HA -0.191 4.358 4.550 -0.000 0.000 0.291 366 Y C 2.588 178.519 175.900 0.052 0.000 1.143 366 Y CA 1.212 59.334 58.100 0.036 0.000 1.257 366 Y CB 0.072 38.548 38.460 0.027 0.000 0.984 366 Y HN 0.044 nan 8.280 nan 0.000 0.550 367 R N -0.671 119.833 120.500 0.006 0.000 2.156 367 R HA -0.010 4.330 4.340 -0.000 0.000 0.207 367 R C 1.320 177.627 176.300 0.011 0.000 1.040 367 R CA 1.132 57.203 56.100 -0.048 0.000 1.013 367 R CB -0.072 30.245 30.300 0.028 0.000 0.931 367 R HN 0.314 nan 8.270 nan 0.000 0.465 368 D N 0.536 120.966 120.400 0.049 0.000 2.144 368 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 368 D C 1.750 178.111 176.300 0.102 0.000 0.978 368 D CA 0.665 54.709 54.000 0.074 0.000 0.833 368 D CB 0.011 40.838 40.800 0.046 0.000 0.961 368 D HN -0.089 nan 8.370 nan 0.000 0.470 369 V N 0.566 120.529 119.914 0.083 0.000 2.490 369 V HA -0.159 3.961 4.120 -0.000 0.000 0.250 369 V C 1.962 178.143 176.094 0.146 0.000 1.061 369 V CA 1.481 63.875 62.300 0.156 0.000 1.064 369 V CB -0.205 31.675 31.823 0.094 0.000 0.670 369 V HN 0.148 nan 8.190 nan 0.000 0.461 370 R N -0.462 120.047 120.500 0.015 0.000 2.339 370 R HA 0.067 4.407 4.340 -0.000 0.000 0.199 370 R C 2.067 178.379 176.300 0.020 0.000 1.018 370 R CA 0.852 56.918 56.100 -0.056 0.000 1.036 370 R CB -0.430 29.805 30.300 -0.109 0.000 0.899 370 R HN 0.623 nan 8.270 nan 0.000 0.473 371 A N 0.209 123.156 122.820 0.211 0.000 1.873 371 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 371 A C 2.295 179.993 177.584 0.189 0.000 1.186 371 A CA 1.629 53.862 52.037 0.326 0.000 0.616 371 A CB -0.885 18.346 19.000 0.385 0.000 0.823 371 A HN 0.400 nan 8.150 nan 0.000 0.442 372 G N -0.371 108.413 108.800 -0.027 0.000 2.503 372 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.221 372 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.221 372 G C 1.463 176.144 174.900 -0.364 0.000 1.131 372 G CA 1.283 46.033 45.100 -0.584 0.000 0.756 372 G HN 0.791 nan 8.290 nan 0.000 0.572 373 G N -0.251 108.309 108.800 -0.401 0.000 2.498 373 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.219 373 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.219 373 G C 1.292 175.972 174.900 -0.367 0.000 1.119 373 G CA 0.278 45.119 45.100 -0.431 0.000 0.766 373 G HN 0.479 nan 8.290 nan 0.000 0.552 374 F N 0.001 119.949 119.950 -0.002 0.000 2.721 374 F HA 0.428 4.955 4.527 -0.000 0.000 0.301 374 F C 1.354 177.176 175.800 0.036 0.000 1.096 374 F CA -0.425 57.596 58.000 0.035 0.000 1.308 374 F CB 0.281 39.319 39.000 0.064 0.000 1.086 374 F HN -0.061 nan 8.300 nan 0.000 0.587 375 M N 1.519 121.209 119.600 0.151 0.000 2.180 375 M HA 0.210 4.690 4.480 -0.000 0.000 0.358 375 M C -0.327 176.004 176.300 0.051 0.000 1.233 375 M CA -0.205 55.157 55.300 0.104 0.000 1.114 375 M CB 0.798 33.447 32.600 0.082 0.000 1.594 375 M HN -0.089 nan 8.290 nan 0.000 0.467 376 Q N 4.183 124.008 119.800 0.041 0.000 2.230 376 Q HA 0.593 4.933 4.340 -0.000 0.000 0.253 376 Q C -2.222 173.732 176.000 -0.077 0.000 0.919 376 Q CA -1.493 54.295 55.803 -0.024 0.000 0.908 376 Q CB 1.184 29.915 28.738 -0.012 0.000 1.245 376 Q HN 0.447 nan 8.270 nan 0.000 0.437 377 P HA 0.488 nan 4.420 nan 0.000 0.296 377 P C -1.427 175.690 177.300 -0.304 0.000 1.310 377 P CA -0.472 62.321 63.100 -0.512 0.000 0.900 377 P CB 1.178 32.126 31.700 -1.254 0.000 1.111 378 Y N -0.927 119.334 120.300 -0.066 0.000 2.602 378 Y HA 0.410 4.960 4.550 0.000 0.000 0.342 378 Y C 1.261 177.136 175.900 -0.042 0.000 1.029 378 Y CA -0.592 57.474 58.100 -0.056 0.000 1.080 378 Y CB 2.049 40.456 38.460 -0.089 0.000 1.284 378 Y HN 0.338 nan 8.280 nan 0.000 0.485 379 S N 0.211 116.018 115.700 0.180 0.000 2.634 379 S HA 0.006 4.476 4.470 -0.000 0.000 0.261 379 S C 0.940 175.610 174.600 0.117 0.000 1.271 379 S CA -0.204 58.073 58.200 0.129 0.000 0.985 379 S CB 0.243 63.530 63.200 0.145 0.000 0.968 379 S HN 0.665 nan 8.310 nan 0.000 0.568 380 Y N 2.753 123.061 120.300 0.013 0.000 2.097 380 Y HA -0.120 4.430 4.550 -0.000 0.000 0.282 380 Y C 2.044 177.956 175.900 0.019 0.000 1.152 380 Y CA 2.367 60.467 58.100 0.001 0.000 1.136 380 Y CB -1.053 37.394 38.460 -0.021 0.000 0.975 380 Y HN 0.402 nan 8.280 nan 0.000 0.498 381 V N 1.116 120.987 119.914 -0.071 0.000 2.324 381 V HA -0.345 3.775 4.120 -0.000 0.000 0.250 381 V C 2.104 178.097 176.094 -0.168 0.000 1.060 381 V CA 2.305 64.513 62.300 -0.153 0.000 1.042 381 V CB -0.689 31.152 31.823 0.029 0.000 0.650 381 V HN 0.492 nan 8.190 nan 0.000 0.450 382 D N 0.445 120.801 120.400 -0.073 0.000 2.120 382 D HA -0.055 4.585 4.640 -0.000 0.000 0.202 382 D C 2.291 178.486 176.300 -0.174 0.000 0.972 382 D CA 1.492 55.444 54.000 -0.081 0.000 0.837 382 D CB -0.243 40.593 40.800 0.060 0.000 0.989 382 D HN 0.442 nan 8.370 nan 0.000 0.469 383 A N 1.270 124.031 122.820 -0.098 0.000 1.986 383 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 383 A C 2.421 179.928 177.584 -0.127 0.000 1.171 383 A CA 1.209 53.205 52.037 -0.068 0.000 0.640 383 A CB -0.844 18.168 19.000 0.020 0.000 0.811 383 A HN 0.180 nan 8.150 nan 0.000 0.451 384 V N 0.109 119.859 119.914 -0.273 0.000 2.307 384 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 384 V C 2.009 177.994 176.094 -0.183 0.000 1.045 384 V CA 2.781 64.915 62.300 -0.277 0.000 1.024 384 V CB -0.594 30.954 31.823 -0.459 0.000 0.651 384 V HN 0.615 nan 8.190 nan 0.000 0.449 385 D N -1.376 118.920 120.400 -0.174 0.000 2.117 385 D HA -0.187 4.453 4.640 -0.000 0.000 0.198 385 D C 1.852 178.067 176.300 -0.142 0.000 0.982 385 D CA 1.734 55.652 54.000 -0.136 0.000 0.828 385 D CB -0.297 40.434 40.800 -0.115 0.000 0.967 385 D HN 0.652 nan 8.370 nan 0.000 0.464 386 Y N 0.866 120.987 120.300 -0.298 0.000 2.089 386 Y HA -0.185 4.365 4.550 0.000 0.000 0.282 386 Y C 1.885 177.663 175.900 -0.204 0.000 1.139 386 Y CA 1.233 59.139 58.100 -0.323 0.000 1.123 386 Y CB -0.541 37.573 38.460 -0.576 0.000 0.980 386 Y HN -0.090 nan 8.280 nan 0.000 0.493 387 L N 0.293 121.303 121.223 -0.355 0.000 2.083 387 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 387 L C 2.811 179.540 176.870 -0.235 0.000 1.083 387 L CA 2.142 56.777 54.840 -0.342 0.000 0.752 387 L CB -1.181 40.833 42.059 -0.075 0.000 0.899 387 L HN 0.509 nan 8.230 nan 0.000 0.433 388 S N -1.739 113.856 115.700 -0.174 0.000 2.436 388 S HA -0.022 4.448 4.470 -0.000 0.000 0.228 388 S C 2.080 176.594 174.600 -0.143 0.000 1.014 388 S CA 0.608 58.736 58.200 -0.120 0.000 0.950 388 S CB -0.839 62.307 63.200 -0.090 0.000 0.784 388 S HN 0.357 nan 8.310 nan 0.000 0.504 389 G N 0.800 109.481 108.800 -0.198 0.000 2.448 389 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.218 389 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.218 389 G C 1.628 176.408 174.900 -0.200 0.000 1.135 389 G CA 0.326 45.320 45.100 -0.177 0.000 0.784 389 G HN 0.468 nan 8.290 nan 0.000 0.543 390 Q N 0.090 119.709 119.800 -0.302 0.000 2.250 390 Q HA 0.166 4.506 4.340 -0.000 0.000 0.200 390 Q C 2.855 178.773 176.000 -0.138 0.000 0.941 390 Q CA 0.934 56.583 55.803 -0.257 0.000 0.872 390 Q CB -0.076 28.418 28.738 -0.408 0.000 0.965 390 Q HN 0.447 nan 8.270 nan 0.000 0.480 391 A N 0.342 123.092 122.820 -0.116 0.000 2.066 391 A HA 0.052 4.372 4.320 -0.000 0.000 0.218 391 A C 1.430 178.985 177.584 -0.048 0.000 1.157 391 A CA 0.718 52.724 52.037 -0.052 0.000 0.670 391 A CB -0.019 18.963 19.000 -0.030 0.000 0.804 391 A HN 0.162 nan 8.150 nan 0.000 0.453 392 L N -3.673 117.512 121.223 -0.063 0.000 2.798 392 L HA 0.526 4.866 4.340 -0.000 0.000 0.230 392 L C 2.015 178.856 176.870 -0.049 0.000 1.868 392 L CA -0.318 54.493 54.840 -0.048 0.000 2.126 392 L CB -0.284 41.746 42.059 -0.048 0.000 2.569 392 L HN 0.195 nan 8.230 nan 0.000 0.592 393 G N -0.593 108.182 108.800 -0.041 0.000 2.658 393 G HA2 0.198 4.158 3.960 -0.000 0.000 0.217 393 G HA3 0.198 4.158 3.960 -0.000 0.000 0.217 393 G C 0.306 175.181 174.900 -0.042 0.000 1.319 393 G CA 0.063 45.142 45.100 -0.036 0.000 0.885 393 G HN 0.263 nan 8.290 nan 0.000 0.553 394 L N 0.000 121.200 121.223 -0.039 0.000 2.949 394 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 394 L CA 0.000 54.817 54.840 -0.039 0.000 0.813 394 L CB 0.000 42.028 42.059 -0.052 0.000 0.961 394 L HN 0.000 nan 8.230 nan 0.000 0.502