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 2btv_1_E DATA FIRST_RESID 1 DATA SEQUENCE MDTIAARALT VMRACATLQE ARIVLEANVM EILGIAINRY NGLTLRGVTM DATA SEQUENCE RPTSLAQRNE MFFMCLDMML SAAGINVGPI SPDYTQHMAT IGVLATPEIP DATA SEQUENCE FTTEAANEIA RVTGETSTWG PARQPYGFFL ETEETFQPGR WFMRAAQAAT DATA SEQUENCE AVVCGPDMIQ VSLNAGARGD VQQIFQGRND PMMIYLVWRR IENFAMAQGN DATA SEQUENCE SQQTQAGVTV SVGGVDMRAG RIIAWDGQAA LHVRNPTQQN AMVQIQVVFY DATA SEQUENCE ISMDKTLNQY PALTAEIFNV YSFRDHTWHG LRTAIRNRTT LPNMLPPIFP DATA SEQUENCE PNDRDSILTL LLLSTLADVY TVLRPEFAMH GVNPMPGPLT AAIARAAYV 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 0.000 176.250 176.300 -0.084 0.000 1.140 1 M CA 0.000 55.263 55.300 -0.062 0.000 0.988 1 M CB 0.000 32.572 32.600 -0.047 0.000 1.302 2 D N 0.566 120.910 120.400 -0.094 0.000 2.117 2 D HA -0.079 4.561 4.640 -0.000 0.000 0.197 2 D C 1.740 177.933 176.300 -0.179 0.000 0.987 2 D CA 2.686 56.621 54.000 -0.109 0.000 0.829 2 D CB -0.539 40.205 40.800 -0.094 0.000 0.961 2 D HN 0.710 nan 8.370 nan 0.000 0.460 3 T N -0.465 113.943 114.554 -0.243 0.000 2.699 3 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 3 T C 2.193 176.682 174.700 -0.352 0.000 1.036 3 T CA 0.945 62.779 62.100 -0.444 0.000 1.147 3 T CB -0.698 67.936 68.868 -0.389 0.000 0.862 3 T HN 0.177 nan 8.240 nan 0.000 0.446 4 I N 1.944 122.402 120.570 -0.187 0.000 2.179 4 I HA -0.133 4.037 4.170 -0.000 0.000 0.242 4 I C 3.248 179.310 176.117 -0.091 0.000 1.088 4 I CA 1.317 62.552 61.300 -0.108 0.000 1.357 4 I CB -0.686 37.276 38.000 -0.065 0.000 1.051 4 I HN 0.366 nan 8.210 nan 0.000 0.409 5 A N 0.717 123.480 122.820 -0.095 0.000 1.902 5 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 5 A C 2.552 180.098 177.584 -0.064 0.000 1.181 5 A CA 1.820 53.816 52.037 -0.068 0.000 0.623 5 A CB -0.838 18.122 19.000 -0.066 0.000 0.818 5 A HN 0.436 nan 8.150 nan 0.000 0.443 6 A N -0.126 122.626 122.820 -0.114 0.000 1.883 6 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 6 A C 2.261 179.855 177.584 0.017 0.000 1.186 6 A CA 1.618 53.613 52.037 -0.070 0.000 0.624 6 A CB -0.506 18.371 19.000 -0.204 0.000 0.822 6 A HN 0.557 nan 8.150 nan 0.000 0.444 7 R N -0.634 119.851 120.500 -0.025 0.000 2.080 7 R HA -0.129 4.211 4.340 -0.000 0.000 0.236 7 R C 2.558 178.889 176.300 0.051 0.000 1.137 7 R CA 1.355 57.505 56.100 0.083 0.000 0.943 7 R CB -0.600 29.733 30.300 0.054 0.000 0.846 7 R HN 0.515 nan 8.270 nan 0.000 0.431 8 A N 1.318 124.145 122.820 0.011 0.000 1.917 8 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 8 A C 2.137 179.719 177.584 -0.002 0.000 1.182 8 A CA 1.340 53.377 52.037 0.001 0.000 0.633 8 A CB -0.585 18.409 19.000 -0.009 0.000 0.819 8 A HN 0.252 nan 8.150 nan 0.000 0.448 9 L N -0.269 120.958 121.223 0.006 0.000 2.017 9 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 9 L C 2.597 179.480 176.870 0.023 0.000 1.073 9 L CA 2.811 57.657 54.840 0.011 0.000 0.745 9 L CB -0.987 41.084 42.059 0.021 0.000 0.894 9 L HN 0.420 nan 8.230 nan 0.000 0.432 10 T N -1.036 113.548 114.554 0.050 0.000 2.635 10 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 10 T C 1.941 176.654 174.700 0.022 0.000 1.040 10 T CA 1.924 64.057 62.100 0.055 0.000 1.156 10 T CB -0.633 68.296 68.868 0.102 0.000 0.863 10 T HN 0.216 nan 8.240 nan 0.000 0.430 11 V N 1.512 121.434 119.914 0.013 0.000 2.282 11 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 11 V C 2.532 178.601 176.094 -0.041 0.000 1.057 11 V CA 1.907 64.196 62.300 -0.018 0.000 1.032 11 V CB -0.691 31.114 31.823 -0.031 0.000 0.645 11 V HN 0.471 nan 8.190 nan 0.000 0.447 12 M N -0.644 118.930 119.600 -0.043 0.000 2.065 12 M HA -0.200 4.280 4.480 -0.000 0.000 0.259 12 M C 2.484 178.764 176.300 -0.034 0.000 1.071 12 M CA 1.978 57.244 55.300 -0.057 0.000 1.109 12 M CB -0.575 31.992 32.600 -0.054 0.000 1.313 12 M HN 0.201 nan 8.290 nan 0.000 0.408 13 R N 0.105 120.596 120.500 -0.015 0.000 2.139 13 R HA -0.151 4.189 4.340 -0.000 0.000 0.243 13 R C 2.214 178.508 176.300 -0.010 0.000 1.145 13 R CA 1.469 57.566 56.100 -0.005 0.000 0.976 13 R CB -0.617 29.689 30.300 0.010 0.000 0.866 13 R HN 0.424 nan 8.270 nan 0.000 0.449 14 A N 0.543 123.354 122.820 -0.015 0.000 1.898 14 A HA -0.111 4.209 4.320 -0.000 0.000 0.214 14 A C 2.331 179.898 177.584 -0.028 0.000 1.183 14 A CA 1.067 53.093 52.037 -0.019 0.000 0.622 14 A CB -0.551 18.437 19.000 -0.019 0.000 0.824 14 A HN 0.434 nan 8.150 nan 0.000 0.444 15 C N -0.521 118.755 119.300 -0.040 0.000 2.432 15 C HA 0.121 4.581 4.460 -0.000 0.000 0.280 15 C C 3.139 178.109 174.990 -0.034 0.000 1.353 15 C CA 0.446 59.436 59.018 -0.047 0.000 1.766 15 C CB -1.411 26.289 27.740 -0.067 0.000 1.924 15 C HN 0.680 nan 8.230 nan 0.000 0.509 16 A N 0.788 123.593 122.820 -0.026 0.000 2.070 16 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 16 A C 2.102 179.674 177.584 -0.020 0.000 1.159 16 A CA 2.171 54.197 52.037 -0.019 0.000 0.656 16 A CB -0.811 18.180 19.000 -0.013 0.000 0.800 16 A HN 0.595 nan 8.150 nan 0.000 0.453 17 T N 0.133 114.675 114.554 -0.021 0.000 3.035 17 T HA 0.046 4.396 4.350 -0.000 0.000 0.268 17 T C 0.323 175.009 174.700 -0.023 0.000 1.109 17 T CA 0.380 62.468 62.100 -0.020 0.000 1.119 17 T CB -0.218 68.639 68.868 -0.018 0.000 0.900 17 T HN 0.137 nan 8.240 nan 0.000 0.503 18 L N 2.769 123.975 121.223 -0.028 0.000 2.384 18 L HA 0.341 4.681 4.340 -0.000 0.000 0.258 18 L C 1.263 178.112 176.870 -0.035 0.000 1.266 18 L CA 0.169 54.990 54.840 -0.032 0.000 1.162 18 L CB -0.353 41.685 42.059 -0.036 0.000 1.375 18 L HN 0.076 nan 8.230 nan 0.000 0.420 19 Q N 0.358 120.140 119.800 -0.032 0.000 2.008 19 Q HA -0.034 4.306 4.340 -0.000 0.000 0.196 19 Q C 0.851 176.829 176.000 -0.036 0.000 0.973 19 Q CA 1.230 57.012 55.803 -0.035 0.000 0.826 19 Q CB 0.327 29.048 28.738 -0.029 0.000 0.894 19 Q HN 0.512 nan 8.270 nan 0.000 0.439 20 E N -1.850 118.332 120.200 -0.030 0.000 2.284 20 E HA 0.577 4.927 4.350 -0.000 0.000 0.255 20 E C -0.582 176.001 176.600 -0.029 0.000 1.052 20 E CA 0.189 56.571 56.400 -0.029 0.000 0.904 20 E CB 1.272 30.957 29.700 -0.024 0.000 1.217 20 E HN 0.068 nan 8.360 nan 0.000 0.438 21 A N 0.922 123.725 122.820 -0.027 0.000 2.127 21 A HA 0.110 4.430 4.320 -0.000 0.000 0.204 21 A C 1.483 179.054 177.584 -0.021 0.000 1.243 21 A CA -0.001 52.021 52.037 -0.026 0.000 0.887 21 A CB 0.010 18.993 19.000 -0.028 0.000 0.933 21 A HN 0.388 nan 8.150 nan 0.000 0.479 22 R N 1.268 121.757 120.500 -0.019 0.000 2.075 22 R HA 0.014 4.354 4.340 -0.000 0.000 0.232 22 R C 1.223 177.514 176.300 -0.015 0.000 1.126 22 R CA 0.771 56.861 56.100 -0.016 0.000 0.963 22 R CB -1.804 28.487 30.300 -0.015 0.000 0.858 22 R HN 0.739 nan 8.270 nan 0.000 0.435 23 I N 1.006 121.567 120.570 -0.016 0.000 3.259 23 I HA -0.127 4.043 4.170 -0.000 0.000 0.312 23 I C 0.773 176.881 176.117 -0.014 0.000 1.211 23 I CA -0.140 61.152 61.300 -0.015 0.000 1.431 23 I CB 0.030 38.021 38.000 -0.016 0.000 1.304 23 I HN -0.167 nan 8.210 nan 0.000 0.572 24 V N 4.232 124.138 119.914 -0.013 0.000 2.644 24 V HA 0.540 4.660 4.120 -0.000 0.000 0.295 24 V C 0.025 176.111 176.094 -0.013 0.000 1.053 24 V CA -0.879 61.414 62.300 -0.012 0.000 0.987 24 V CB 1.430 33.246 31.823 -0.011 0.000 1.006 24 V HN 0.647 nan 8.190 nan 0.000 0.472 25 L N 2.435 123.650 121.223 -0.013 0.000 2.334 25 L HA 0.541 4.881 4.340 -0.000 0.000 0.270 25 L C 0.455 177.317 176.870 -0.013 0.000 1.018 25 L CA -0.262 54.569 54.840 -0.014 0.000 0.811 25 L CB 1.536 43.586 42.059 -0.015 0.000 1.271 25 L HN 1.017 nan 8.230 nan 0.000 0.443 26 E N 1.074 121.266 120.200 -0.013 0.000 2.220 26 E HA 0.132 4.482 4.350 -0.000 0.000 0.272 26 E C 0.888 177.480 176.600 -0.014 0.000 1.099 26 E CA 0.042 56.434 56.400 -0.013 0.000 0.907 26 E CB 1.118 30.810 29.700 -0.013 0.000 1.022 26 E HN 0.693 nan 8.360 nan 0.000 0.428 27 A N 5.687 128.499 122.820 -0.014 0.000 1.985 27 A HA -0.350 3.970 4.320 -0.000 0.000 0.223 27 A C 2.031 179.605 177.584 -0.017 0.000 1.189 27 A CA 2.227 54.255 52.037 -0.014 0.000 0.658 27 A CB -0.832 18.160 19.000 -0.014 0.000 0.820 27 A HN 0.953 nan 8.150 nan 0.000 0.464 28 N N -0.266 118.423 118.700 -0.018 0.000 2.061 28 N HA -0.171 4.569 4.740 -0.000 0.000 0.193 28 N C 1.736 177.233 175.510 -0.020 0.000 1.030 28 N CA 2.098 55.135 53.050 -0.022 0.000 0.856 28 N CB -0.197 38.276 38.487 -0.023 0.000 1.023 28 N HN 0.309 nan 8.380 nan 0.000 0.424 29 V N 2.005 121.909 119.914 -0.018 0.000 2.233 29 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 29 V C 2.598 178.682 176.094 -0.016 0.000 1.050 29 V CA 1.906 64.196 62.300 -0.017 0.000 1.010 29 V CB -0.574 31.239 31.823 -0.016 0.000 0.637 29 V HN 0.361 nan 8.190 nan 0.000 0.444 30 M N -0.443 119.148 119.600 -0.016 0.000 2.089 30 M HA -0.320 4.160 4.480 -0.000 0.000 0.257 30 M C 2.291 178.583 176.300 -0.013 0.000 1.071 30 M CA 2.469 57.761 55.300 -0.014 0.000 1.096 30 M CB -0.684 31.908 32.600 -0.013 0.000 1.330 30 M HN 0.449 nan 8.290 nan 0.000 0.403 31 E N 0.881 121.073 120.200 -0.014 0.000 2.058 31 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 31 E C 1.769 178.363 176.600 -0.011 0.000 0.997 31 E CA 1.469 57.861 56.400 -0.013 0.000 0.801 31 E CB -0.070 29.619 29.700 -0.018 0.000 0.746 31 E HN 0.499 nan 8.360 nan 0.000 0.450 32 I N 0.740 121.302 120.570 -0.012 0.000 2.045 32 I HA -0.341 3.829 4.170 -0.000 0.000 0.233 32 I C 2.543 178.657 176.117 -0.004 0.000 1.048 32 I CA 1.163 62.459 61.300 -0.007 0.000 1.313 32 I CB -0.521 37.474 38.000 -0.008 0.000 1.043 32 I HN 0.196 nan 8.210 nan 0.000 0.393 33 L N 0.753 121.969 121.223 -0.012 0.000 2.089 33 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 33 L C 2.675 179.541 176.870 -0.007 0.000 1.079 33 L CA 1.675 56.504 54.840 -0.017 0.000 0.758 33 L CB -1.465 40.580 42.059 -0.025 0.000 0.891 33 L HN 0.442 nan 8.230 nan 0.000 0.433 34 G N 0.636 109.433 108.800 -0.004 0.000 2.459 34 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 34 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 34 G C 1.543 176.449 174.900 0.011 0.000 1.183 34 G CA 1.057 46.158 45.100 0.002 0.000 0.776 34 G HN 0.334 nan 8.290 nan 0.000 0.552 35 I N 1.449 122.026 120.570 0.012 0.000 2.202 35 I HA -0.108 4.062 4.170 -0.000 0.000 0.242 35 I C 3.286 179.423 176.117 0.034 0.000 1.091 35 I CA 0.844 62.156 61.300 0.021 0.000 1.368 35 I CB -0.441 37.571 38.000 0.019 0.000 1.058 35 I HN 0.256 nan 8.210 nan 0.000 0.410 36 A N 1.909 124.748 122.820 0.031 0.000 1.836 36 A HA -0.219 4.101 4.320 -0.000 0.000 0.215 36 A C 2.295 179.920 177.584 0.069 0.000 1.214 36 A CA 1.929 53.991 52.037 0.042 0.000 0.636 36 A CB -1.174 17.831 19.000 0.009 0.000 0.847 36 A HN 0.357 nan 8.150 nan 0.000 0.451 37 I N 0.023 120.616 120.570 0.038 0.000 2.236 37 I HA -0.343 3.827 4.170 -0.000 0.000 0.249 37 I C 2.408 178.591 176.117 0.109 0.000 1.102 37 I CA 1.947 63.288 61.300 0.068 0.000 1.365 37 I CB -0.726 37.284 38.000 0.016 0.000 1.051 37 I HN 0.607 nan 8.210 nan 0.000 0.420 38 N N 1.083 119.823 118.700 0.066 0.000 2.013 38 N HA -0.207 4.533 4.740 -0.000 0.000 0.195 38 N C 2.075 177.621 175.510 0.059 0.000 1.051 38 N CA 1.504 54.585 53.050 0.051 0.000 0.851 38 N CB -0.025 38.481 38.487 0.032 0.000 1.044 38 N HN 0.023 nan 8.380 nan 0.000 0.422 39 R N -0.537 120.002 120.500 0.064 0.000 2.105 39 R HA -0.165 4.175 4.340 -0.000 0.000 0.239 39 R C 2.028 178.365 176.300 0.062 0.000 1.135 39 R CA 1.064 57.196 56.100 0.053 0.000 0.967 39 R CB -1.091 29.243 30.300 0.056 0.000 0.861 39 R HN 0.507 nan 8.270 nan 0.000 0.442 40 Y N 1.617 121.909 120.300 -0.012 0.000 2.089 40 Y HA -0.212 4.338 4.550 -0.000 0.000 0.282 40 Y C 1.816 177.694 175.900 -0.037 0.000 1.139 40 Y CA 2.064 60.151 58.100 -0.021 0.000 1.123 40 Y CB -0.527 37.924 38.460 -0.016 0.000 0.980 40 Y HN 0.151 nan 8.280 nan 0.000 0.493 41 N N -0.453 118.296 118.700 0.083 0.000 2.289 41 N HA -0.148 4.592 4.740 -0.000 0.000 0.184 41 N C 1.977 177.434 175.510 -0.088 0.000 1.016 41 N CA 0.641 53.679 53.050 -0.020 0.000 0.872 41 N CB -0.470 38.052 38.487 0.059 0.000 0.973 41 N HN 0.530 nan 8.380 nan 0.000 0.433 42 G N 1.099 109.866 108.800 -0.054 0.000 2.440 42 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 42 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 42 G C 1.369 176.215 174.900 -0.090 0.000 1.154 42 G CA 0.610 45.678 45.100 -0.054 0.000 0.767 42 G HN 0.175 nan 8.290 nan 0.000 0.552 43 L N -0.738 120.402 121.223 -0.138 0.000 2.408 43 L HA 0.154 4.494 4.340 -0.000 0.000 0.215 43 L C 2.757 179.485 176.870 -0.236 0.000 1.081 43 L CA 0.732 55.482 54.840 -0.150 0.000 0.840 43 L CB 0.014 41.998 42.059 -0.126 0.000 1.002 43 L HN 0.102 nan 8.230 nan 0.000 0.468 44 T N -0.392 113.917 114.554 -0.408 0.000 3.054 44 T HA 0.085 4.435 4.350 -0.000 0.000 0.259 44 T C 1.045 175.502 174.700 -0.405 0.000 1.092 44 T CA 0.140 61.887 62.100 -0.589 0.000 1.121 44 T CB 0.206 68.397 68.868 -1.129 0.000 0.912 44 T HN 0.074 nan 8.240 nan 0.000 0.489 45 L N 0.476 121.553 121.223 -0.243 0.000 4.625 45 L HA -0.179 4.161 4.340 -0.000 0.000 0.428 45 L C 0.744 177.559 176.870 -0.092 0.000 1.129 45 L CA 1.045 55.807 54.840 -0.128 0.000 0.978 45 L CB -1.647 40.358 42.059 -0.089 0.000 2.043 45 L HN 0.250 nan 8.230 nan 0.000 0.847 46 R N -0.488 119.945 120.500 -0.112 0.000 2.580 46 R HA 0.618 4.958 4.340 -0.000 0.000 0.267 46 R C 1.004 177.331 176.300 0.045 0.000 1.125 46 R CA 0.291 56.390 56.100 -0.002 0.000 1.188 46 R CB 0.485 30.828 30.300 0.071 0.000 1.155 46 R HN 0.190 nan 8.270 nan 0.000 0.586 47 G N 0.744 109.583 108.800 0.065 0.000 4.190 47 G HA2 0.346 4.306 3.960 -0.000 0.000 0.328 47 G HA3 0.346 4.306 3.960 -0.000 0.000 0.328 47 G C -0.539 174.392 174.900 0.051 0.000 1.364 47 G CA -0.327 44.803 45.100 0.050 0.000 1.259 47 G HN 0.204 nan 8.290 nan 0.000 0.525 48 V N 1.695 121.655 119.914 0.077 0.000 2.461 48 V HA 0.408 4.528 4.120 -0.000 0.000 0.275 48 V C 0.484 176.585 176.094 0.013 0.000 1.047 48 V CA -0.232 62.089 62.300 0.036 0.000 0.955 48 V CB 1.207 33.047 31.823 0.027 0.000 0.988 48 V HN 0.505 nan 8.190 nan 0.000 0.471 49 T N 5.289 119.836 114.554 -0.011 0.000 2.867 49 T HA 0.321 4.671 4.350 -0.000 0.000 0.282 49 T C 0.942 175.627 174.700 -0.025 0.000 1.000 49 T CA -0.509 61.583 62.100 -0.014 0.000 1.042 49 T CB 1.762 70.620 68.868 -0.017 0.000 0.973 49 T HN 0.630 nan 8.240 nan 0.000 0.465 50 M N 0.702 120.290 119.600 -0.020 0.000 2.296 50 M HA 0.096 4.576 4.480 -0.000 0.000 0.265 50 M C 0.784 177.068 176.300 -0.027 0.000 1.064 50 M CA 1.407 56.692 55.300 -0.025 0.000 1.109 50 M CB 0.180 32.770 32.600 -0.017 0.000 1.396 50 M HN 0.280 nan 8.290 nan 0.000 0.430 51 R N 1.433 121.919 120.500 -0.024 0.000 2.335 51 R HA 0.357 4.697 4.340 -0.000 0.000 0.302 51 R C -2.553 173.730 176.300 -0.028 0.000 1.147 51 R CA -2.287 53.798 56.100 -0.025 0.000 1.111 51 R CB 0.439 30.728 30.300 -0.020 0.000 1.122 51 R HN 0.083 nan 8.270 nan 0.000 0.557 52 P HA 0.293 nan 4.420 nan 0.000 0.276 52 P C -0.568 176.709 177.300 -0.039 0.000 1.244 52 P CA -0.195 62.880 63.100 -0.042 0.000 0.801 52 P CB 1.998 33.666 31.700 -0.054 0.000 1.006 53 T N -3.391 111.139 114.554 -0.040 0.000 3.491 53 T HA -0.007 4.343 4.350 -0.000 0.000 0.284 53 T C 1.677 176.354 174.700 -0.038 0.000 0.905 53 T CA 0.643 62.722 62.100 -0.036 0.000 1.017 53 T CB -0.980 67.871 68.868 -0.027 0.000 1.202 53 T HN 0.456 nan 8.240 nan 0.000 0.518 54 S N 2.295 117.973 115.700 -0.038 0.000 2.436 54 S HA 0.274 4.744 4.470 -0.000 0.000 0.208 54 S C 1.409 175.980 174.600 -0.047 0.000 1.063 54 S CA 1.435 59.613 58.200 -0.036 0.000 1.120 54 S CB -0.407 62.775 63.200 -0.031 0.000 1.053 54 S HN 0.686 nan 8.310 nan 0.000 0.407 55 L N -1.477 119.711 121.223 -0.059 0.000 1.238 55 L HA 0.414 4.754 4.340 -0.000 0.000 0.075 55 L C 1.722 178.531 176.870 -0.102 0.000 1.460 55 L CA 0.903 55.697 54.840 -0.077 0.000 1.156 55 L CB -0.992 41.033 42.059 -0.056 0.000 2.371 55 L HN 0.357 nan 8.230 nan 0.000 0.453 56 A N 0.249 123.024 122.820 -0.076 0.000 2.024 56 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 56 A C 1.920 179.435 177.584 -0.115 0.000 1.164 56 A CA 2.207 54.191 52.037 -0.087 0.000 0.643 56 A CB -0.601 18.379 19.000 -0.033 0.000 0.806 56 A HN 0.732 nan 8.150 nan 0.000 0.451 57 Q N -0.979 118.768 119.800 -0.088 0.000 2.123 57 Q HA -0.081 4.259 4.340 -0.000 0.000 0.199 57 Q C 2.346 178.277 176.000 -0.115 0.000 0.966 57 Q CA 1.112 56.866 55.803 -0.081 0.000 0.845 57 Q CB -0.081 28.624 28.738 -0.055 0.000 0.907 57 Q HN 0.646 nan 8.270 nan 0.000 0.439 58 R N 0.346 120.767 120.500 -0.131 0.000 2.062 58 R HA -0.045 4.295 4.340 -0.000 0.000 0.229 58 R C 1.916 178.084 176.300 -0.219 0.000 1.128 58 R CA 1.092 57.106 56.100 -0.144 0.000 0.960 58 R CB -0.206 30.012 30.300 -0.136 0.000 0.855 58 R HN 0.240 nan 8.270 nan 0.000 0.432 59 N N 1.082 119.576 118.700 -0.343 0.000 2.043 59 N HA -0.196 4.544 4.740 -0.000 0.000 0.193 59 N C 1.679 176.636 175.510 -0.922 0.000 1.037 59 N CA 1.287 53.912 53.050 -0.709 0.000 0.851 59 N CB -0.365 37.655 38.487 -0.779 0.000 1.027 59 N HN 0.158 nan 8.380 nan 0.000 0.422 60 E N 0.809 120.679 120.200 -0.550 0.000 2.114 60 E HA -0.186 4.164 4.350 -0.000 0.000 0.199 60 E C 1.970 178.493 176.600 -0.128 0.000 1.008 60 E CA 1.188 57.438 56.400 -0.250 0.000 0.810 60 E CB -0.228 29.424 29.700 -0.079 0.000 0.739 60 E HN 0.380 nan 8.360 nan 0.000 0.456 61 M N -1.139 118.371 119.600 -0.150 0.000 2.099 61 M HA -0.109 4.371 4.480 -0.000 0.000 0.262 61 M C 1.936 178.169 176.300 -0.110 0.000 1.067 61 M CA 1.446 56.669 55.300 -0.128 0.000 1.124 61 M CB -0.191 32.345 32.600 -0.105 0.000 1.353 61 M HN 0.243 nan 8.290 nan 0.000 0.410 62 F N 0.804 120.620 119.950 -0.223 0.000 2.126 62 F HA -0.261 4.266 4.527 -0.000 0.000 0.299 62 F C 1.531 177.340 175.800 0.015 0.000 1.096 62 F CA 1.647 59.564 58.000 -0.138 0.000 1.255 62 F CB -0.300 38.580 39.000 -0.199 0.000 0.997 62 F HN 0.131 nan 8.300 nan 0.000 0.479 63 F N 0.101 120.033 119.950 -0.029 0.000 2.171 63 F HA -0.237 4.290 4.527 -0.000 0.000 0.300 63 F C 2.496 178.300 175.800 0.007 0.000 1.090 63 F CA 1.370 59.356 58.000 -0.023 0.000 1.293 63 F CB -1.441 37.674 39.000 0.191 0.000 1.013 63 F HN 0.142 nan 8.300 nan 0.000 0.486 64 M N -0.637 119.009 119.600 0.077 0.000 2.067 64 M HA -0.229 4.251 4.480 -0.000 0.000 0.260 64 M C 2.340 178.514 176.300 -0.210 0.000 1.069 64 M CA 2.017 57.172 55.300 -0.242 0.000 1.117 64 M CB -0.610 31.525 32.600 -0.775 0.000 1.334 64 M HN 0.140 nan 8.290 nan 0.000 0.407 65 C N 0.610 119.747 119.300 -0.272 0.000 2.413 65 C HA -0.155 4.305 4.460 -0.000 0.000 0.277 65 C C 2.616 177.445 174.990 -0.269 0.000 1.265 65 C CA 0.740 59.587 59.018 -0.285 0.000 1.752 65 C CB -1.452 26.056 27.740 -0.387 0.000 1.998 65 C HN 0.698 nan 8.230 nan 0.000 0.489 66 L N 1.247 122.263 121.223 -0.345 0.000 2.005 66 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 66 L C 2.191 179.038 176.870 -0.037 0.000 1.072 66 L CA 2.051 56.729 54.840 -0.270 0.000 0.744 66 L CB -1.055 40.753 42.059 -0.418 0.000 0.895 66 L HN 0.238 nan 8.230 nan 0.000 0.433 67 D N -0.667 119.804 120.400 0.120 0.000 2.133 67 D HA -0.263 4.377 4.640 -0.000 0.000 0.192 67 D C 2.179 178.564 176.300 0.142 0.000 1.001 67 D CA 2.178 56.329 54.000 0.251 0.000 0.844 67 D CB -0.104 40.929 40.800 0.388 0.000 0.944 67 D HN 0.400 nan 8.370 nan 0.000 0.447 68 M N -0.407 119.242 119.600 0.082 0.000 2.077 68 M HA -0.131 4.349 4.480 -0.000 0.000 0.261 68 M C 2.332 178.639 176.300 0.012 0.000 1.070 68 M CA 0.976 56.303 55.300 0.045 0.000 1.125 68 M CB -0.354 32.248 32.600 0.003 0.000 1.339 68 M HN 0.005 nan 8.290 nan 0.000 0.409 69 M N 1.219 120.806 119.600 -0.023 0.000 2.108 69 M HA -0.225 4.255 4.480 -0.000 0.000 0.257 69 M C 1.904 178.200 176.300 -0.007 0.000 1.071 69 M CA 2.050 57.334 55.300 -0.027 0.000 1.093 69 M CB -0.691 31.878 32.600 -0.052 0.000 1.345 69 M HN 0.324 nan 8.290 nan 0.000 0.403 70 L N -1.067 120.164 121.223 0.012 0.000 2.023 70 L HA -0.159 4.181 4.340 -0.000 0.000 0.205 70 L C 2.433 179.317 176.870 0.023 0.000 1.073 70 L CA 1.227 56.082 54.840 0.024 0.000 0.745 70 L CB -0.976 41.117 42.059 0.058 0.000 0.900 70 L HN 0.238 nan 8.230 nan 0.000 0.435 71 S N 0.185 115.908 115.700 0.038 0.000 2.387 71 S HA -0.221 4.249 4.470 -0.000 0.000 0.230 71 S C 2.153 176.759 174.600 0.010 0.000 1.035 71 S CA 1.355 59.573 58.200 0.030 0.000 1.014 71 S CB -0.320 62.909 63.200 0.047 0.000 0.836 71 S HN 0.498 nan 8.310 nan 0.000 0.466 72 A N 1.352 124.174 122.820 0.003 0.000 1.873 72 A HA 0.190 4.510 4.320 -0.000 0.000 0.215 72 A C 2.255 179.827 177.584 -0.020 0.000 1.186 72 A CA 1.542 53.571 52.037 -0.013 0.000 0.616 72 A CB -0.954 18.035 19.000 -0.018 0.000 0.823 72 A HN 0.529 nan 8.150 nan 0.000 0.442 73 A N -1.455 121.355 122.820 -0.017 0.000 2.209 73 A HA 0.386 4.706 4.320 -0.000 0.000 0.212 73 A C 1.719 179.292 177.584 -0.017 0.000 1.158 73 A CA 1.205 53.229 52.037 -0.022 0.000 0.742 73 A CB -1.165 17.821 19.000 -0.023 0.000 0.790 73 A HN 1.982 nan 8.150 nan 0.000 0.472 74 G N -0.644 108.150 108.800 -0.010 0.000 2.272 74 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.280 74 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.280 74 G C -0.067 174.829 174.900 -0.006 0.000 1.067 74 G CA 0.535 45.630 45.100 -0.008 0.000 0.902 74 G HN 0.496 nan 8.290 nan 0.000 0.500 75 I N -0.224 120.345 120.570 -0.001 0.000 2.648 75 I HA 0.411 4.581 4.170 -0.000 0.000 0.304 75 I C 0.265 176.388 176.117 0.010 0.000 1.009 75 I CA -0.940 60.360 61.300 0.000 0.000 1.114 75 I CB 2.145 40.142 38.000 -0.004 0.000 1.293 75 I HN 0.220 nan 8.210 nan 0.000 0.449 76 N N 4.136 122.840 118.700 0.006 0.000 2.609 76 N HA 0.196 4.936 4.740 -0.000 0.000 0.268 76 N C 0.392 175.908 175.510 0.010 0.000 1.106 76 N CA -0.288 52.767 53.050 0.008 0.000 0.823 76 N CB 1.609 40.094 38.487 -0.003 0.000 1.263 76 N HN 0.515 nan 8.380 nan 0.000 0.533 77 V N 1.272 121.202 119.914 0.026 0.000 2.970 77 V HA 0.300 4.420 4.120 -0.000 0.000 0.260 77 V C 1.330 177.440 176.094 0.026 0.000 1.100 77 V CA 1.135 63.451 62.300 0.026 0.000 1.122 77 V CB -1.388 30.463 31.823 0.045 0.000 0.721 77 V HN 0.790 nan 8.190 nan 0.000 0.483 78 G N 1.464 110.274 108.800 0.017 0.000 2.598 78 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.244 78 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.244 78 G C -2.101 172.810 174.900 0.019 0.000 1.302 78 G CA -0.105 44.997 45.100 0.004 0.000 0.903 78 G HN 0.681 nan 8.290 nan 0.000 0.575 79 P HA 0.332 nan 4.420 nan 0.000 0.268 79 P C 0.854 178.251 177.300 0.162 0.000 1.485 79 P CA 0.417 63.565 63.100 0.081 0.000 1.102 79 P CB -0.545 31.199 31.700 0.074 0.000 1.501 80 I N -0.159 120.482 120.570 0.118 0.000 4.154 80 I HA 0.355 4.525 4.170 -0.000 0.000 0.334 80 I C 0.138 176.190 176.117 -0.108 0.000 1.371 80 I CA -0.332 61.023 61.300 0.091 0.000 1.110 80 I CB 0.570 38.611 38.000 0.067 0.000 1.085 80 I HN 0.143 nan 8.210 nan 0.000 0.398 81 S N 1.511 117.104 115.700 -0.177 0.000 2.535 81 S HA 0.508 4.978 4.470 -0.000 0.000 0.272 81 S C -2.364 172.120 174.600 -0.194 0.000 1.149 81 S CA -0.760 57.248 58.200 -0.319 0.000 0.888 81 S CB 1.882 65.112 63.200 0.050 0.000 1.110 81 S HN 0.005 nan 8.310 nan 0.000 0.463 82 P HA 0.139 nan 4.420 nan 0.000 0.227 82 P C 0.124 177.461 177.300 0.060 0.000 1.161 82 P CA 0.740 63.869 63.100 0.048 0.000 0.788 82 P CB 0.188 31.960 31.700 0.120 0.000 0.822 83 D N -1.160 119.293 120.400 0.088 0.000 2.197 83 D HA -0.038 4.602 4.640 -0.000 0.000 0.212 83 D C 0.619 176.937 176.300 0.030 0.000 0.963 83 D CA 0.802 54.891 54.000 0.149 0.000 0.864 83 D CB -0.749 40.239 40.800 0.314 0.000 1.009 83 D HN 0.193 nan 8.370 nan 0.000 0.479 84 Y N 0.893 121.035 120.300 -0.263 0.000 2.334 84 Y HA 0.431 4.981 4.550 -0.000 0.000 0.328 84 Y C -0.730 175.014 175.900 -0.259 0.000 1.130 84 Y CA -0.197 57.585 58.100 -0.529 0.000 1.163 84 Y CB 1.474 39.464 38.460 -0.784 0.000 1.207 84 Y HN -0.329 nan 8.280 nan 0.000 0.471 85 T N 6.428 120.360 114.554 -1.036 0.000 3.011 85 T HA 0.153 4.503 4.350 -0.000 0.000 0.303 85 T C -1.197 172.785 174.700 -1.197 0.000 0.997 85 T CA -0.744 60.838 62.100 -0.864 0.000 1.007 85 T CB 1.123 69.700 68.868 -0.485 0.000 1.017 85 T HN 0.683 nan 8.240 nan 0.000 0.443 86 Q N 3.048 122.267 119.800 -0.969 0.000 2.296 86 Q HA 0.121 4.461 4.340 -0.000 0.000 0.262 86 Q C -0.614 175.165 176.000 -0.368 0.000 0.981 86 Q CA -0.229 55.267 55.803 -0.512 0.000 0.905 86 Q CB 0.422 29.069 28.738 -0.152 0.000 1.186 86 Q HN 0.639 nan 8.270 nan 0.000 0.399 87 H N 6.034 125.029 119.070 -0.124 0.000 2.640 87 H HA 0.099 4.655 4.556 -0.000 0.000 0.297 87 H C 0.647 175.949 175.328 -0.043 0.000 1.073 87 H CA -0.602 55.393 56.048 -0.088 0.000 1.305 87 H CB 1.219 30.922 29.762 -0.099 0.000 1.404 87 H HN 0.698 nan 8.280 nan 0.000 0.459 88 M N 1.852 121.464 119.600 0.020 0.000 2.358 88 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 88 M C 2.241 178.560 176.300 0.031 0.000 1.064 88 M CA 0.621 55.932 55.300 0.018 0.000 1.093 88 M CB -1.146 31.449 32.600 -0.010 0.000 1.401 88 M HN 0.645 nan 8.290 nan 0.000 0.440 89 A N 0.084 122.927 122.820 0.039 0.000 2.076 89 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 89 A C 2.290 179.878 177.584 0.007 0.000 1.160 89 A CA 1.952 53.995 52.037 0.010 0.000 0.653 89 A CB -1.097 17.895 19.000 -0.013 0.000 0.801 89 A HN 0.484 nan 8.150 nan 0.000 0.455 90 T N 0.177 114.757 114.554 0.042 0.000 2.737 90 T HA -0.216 4.134 4.350 -0.000 0.000 0.269 90 T C 1.742 176.485 174.700 0.072 0.000 1.040 90 T CA 1.667 63.818 62.100 0.086 0.000 1.142 90 T CB -0.377 68.591 68.868 0.167 0.000 0.861 90 T HN 0.460 nan 8.240 nan 0.000 0.456 91 I N 1.614 122.213 120.570 0.048 0.000 2.226 91 I HA -0.035 4.135 4.170 -0.000 0.000 0.245 91 I C 2.513 178.643 176.117 0.023 0.000 1.100 91 I CA 1.336 62.655 61.300 0.031 0.000 1.374 91 I CB -0.889 37.122 38.000 0.018 0.000 1.057 91 I HN 0.255 nan 8.210 nan 0.000 0.413 92 G N -0.506 108.303 108.800 0.016 0.000 2.462 92 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.220 92 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.220 92 G C 1.589 176.499 174.900 0.017 0.000 1.121 92 G CA 1.148 46.254 45.100 0.009 0.000 0.758 92 G HN 0.386 nan 8.290 nan 0.000 0.559 93 V N 0.625 120.558 119.914 0.030 0.000 2.283 93 V HA -0.039 4.081 4.120 -0.000 0.000 0.243 93 V C 2.649 178.777 176.094 0.056 0.000 1.039 93 V CA 0.953 63.283 62.300 0.051 0.000 1.016 93 V CB -0.472 31.409 31.823 0.098 0.000 0.650 93 V HN 0.217 nan 8.190 nan 0.000 0.449 94 L N 0.651 121.906 121.223 0.055 0.000 2.353 94 L HA 0.006 4.346 4.340 -0.000 0.000 0.220 94 L C 2.302 179.185 176.870 0.021 0.000 1.133 94 L CA 1.779 56.643 54.840 0.040 0.000 0.798 94 L CB -1.308 40.769 42.059 0.029 0.000 0.922 94 L HN 0.331 nan 8.230 nan 0.000 0.445 95 A N -2.123 120.708 122.820 0.018 0.000 2.218 95 A HA 0.073 4.393 4.320 -0.000 0.000 0.209 95 A C 1.114 178.710 177.584 0.020 0.000 1.168 95 A CA 0.154 52.197 52.037 0.009 0.000 0.804 95 A CB -0.584 18.418 19.000 0.005 0.000 0.834 95 A HN 0.297 nan 8.150 nan 0.000 0.482 96 T N 3.149 117.722 114.554 0.031 0.000 2.751 96 T HA 0.209 4.559 4.350 -0.000 0.000 0.290 96 T C -1.408 173.324 174.700 0.053 0.000 0.919 96 T CA -0.671 61.451 62.100 0.037 0.000 1.136 96 T CB 0.976 69.867 68.868 0.038 0.000 0.875 96 T HN 0.286 nan 8.240 nan 0.000 0.532 97 P HA -0.112 nan 4.420 nan 0.000 0.221 97 P C 0.984 178.333 177.300 0.080 0.000 1.145 97 P CA 0.947 64.092 63.100 0.075 0.000 0.795 97 P CB 0.442 32.176 31.700 0.056 0.000 0.775 98 E N 0.215 120.449 120.200 0.057 0.000 2.153 98 E HA -0.034 4.316 4.350 -0.000 0.000 0.194 98 E C 1.024 177.656 176.600 0.054 0.000 0.988 98 E CA 0.419 56.846 56.400 0.045 0.000 0.811 98 E CB -0.756 28.964 29.700 0.033 0.000 0.746 98 E HN 0.383 nan 8.360 nan 0.000 0.466 99 I N 3.458 124.073 120.570 0.075 0.000 2.533 99 I HA 0.070 4.240 4.170 -0.000 0.000 0.284 99 I C -1.885 174.315 176.117 0.140 0.000 1.109 99 I CA -1.699 59.655 61.300 0.089 0.000 1.412 99 I CB 0.438 38.495 38.000 0.094 0.000 1.396 99 I HN -0.031 nan 8.210 nan 0.000 0.543 100 P HA 0.377 nan 4.420 nan 0.000 0.279 100 P C -1.191 176.185 177.300 0.126 0.000 1.276 100 P CA -0.281 62.819 63.100 0.000 0.000 0.801 100 P CB 1.059 32.706 31.700 -0.090 0.000 1.127 101 F N -3.144 116.807 119.950 0.001 0.000 2.630 101 F HA 0.383 4.910 4.527 -0.000 0.000 0.325 101 F C 0.049 175.850 175.800 0.002 0.000 1.184 101 F CA -1.102 56.899 58.000 0.001 0.000 1.011 101 F CB -0.169 38.833 39.000 0.003 0.000 1.268 101 F HN 0.251 nan 8.300 nan 0.000 0.480 102 T N -0.623 113.954 114.554 0.039 0.000 2.906 102 T HA 0.036 4.386 4.350 -0.000 0.000 0.329 102 T C 1.055 175.771 174.700 0.028 0.000 1.091 102 T CA 0.454 62.550 62.100 -0.007 0.000 1.127 102 T CB 0.586 69.469 68.868 0.025 0.000 1.035 102 T HN 0.797 nan 8.240 nan 0.000 0.547 103 T N 1.888 116.432 114.554 -0.017 0.000 2.720 103 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 103 T C 1.834 176.573 174.700 0.065 0.000 1.037 103 T CA 1.752 63.861 62.100 0.016 0.000 1.144 103 T CB -0.412 68.451 68.868 -0.008 0.000 0.864 103 T HN 0.749 nan 8.240 nan 0.000 0.444 104 E N 1.616 121.846 120.200 0.050 0.000 2.049 104 E HA -0.094 4.256 4.350 -0.000 0.000 0.198 104 E C 2.467 179.120 176.600 0.088 0.000 1.007 104 E CA 1.430 57.864 56.400 0.057 0.000 0.809 104 E CB -0.770 28.956 29.700 0.043 0.000 0.749 104 E HN 0.515 nan 8.360 nan 0.000 0.450 105 A N 0.869 123.756 122.820 0.112 0.000 1.908 105 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 105 A C 2.374 180.043 177.584 0.141 0.000 1.181 105 A CA 2.212 54.326 52.037 0.129 0.000 0.627 105 A CB -0.969 18.123 19.000 0.152 0.000 0.818 105 A HN 0.293 nan 8.150 nan 0.000 0.445 106 A N 0.310 123.258 122.820 0.213 0.000 1.877 106 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 106 A C 1.969 179.619 177.584 0.110 0.000 1.186 106 A CA 1.651 53.803 52.037 0.192 0.000 0.620 106 A CB -0.761 18.436 19.000 0.328 0.000 0.822 106 A HN 0.666 nan 8.150 nan 0.000 0.443 107 N N -0.595 118.166 118.700 0.101 0.000 2.244 107 N HA -0.151 4.589 4.740 -0.000 0.000 0.183 107 N C 1.713 177.273 175.510 0.083 0.000 1.016 107 N CA 1.370 54.463 53.050 0.072 0.000 0.866 107 N CB -0.172 38.346 38.487 0.051 0.000 0.980 107 N HN 0.651 nan 8.380 nan 0.000 0.430 108 E N 0.707 120.970 120.200 0.106 0.000 2.051 108 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 108 E C 2.010 178.714 176.600 0.173 0.000 0.991 108 E CA 0.725 57.227 56.400 0.170 0.000 0.799 108 E CB 0.129 29.927 29.700 0.164 0.000 0.748 108 E HN 0.209 nan 8.360 nan 0.000 0.449 109 I N 1.007 121.630 120.570 0.089 0.000 2.142 109 I HA -0.230 3.940 4.170 -0.000 0.000 0.240 109 I C 2.550 178.692 176.117 0.043 0.000 1.078 109 I CA 1.240 62.563 61.300 0.038 0.000 1.343 109 I CB -1.560 36.432 38.000 -0.013 0.000 1.046 109 I HN 0.055 nan 8.210 nan 0.000 0.405 110 A N 0.820 123.666 122.820 0.043 0.000 1.927 110 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 110 A C 2.437 180.049 177.584 0.047 0.000 1.185 110 A CA 2.457 54.515 52.037 0.034 0.000 0.639 110 A CB -0.654 18.368 19.000 0.037 0.000 0.820 110 A HN 0.350 nan 8.150 nan 0.000 0.451 111 R N -0.188 120.361 120.500 0.082 0.000 2.066 111 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 111 R C 1.893 178.274 176.300 0.135 0.000 1.131 111 R CA 2.090 58.248 56.100 0.098 0.000 0.955 111 R CB -1.220 29.143 30.300 0.104 0.000 0.851 111 R HN 0.251 nan 8.270 nan 0.000 0.432 112 V N 0.429 120.448 119.914 0.176 0.000 2.220 112 V HA -0.307 3.813 4.120 -0.000 0.000 0.246 112 V C 2.115 178.218 176.094 0.015 0.000 1.049 112 V CA 2.604 64.956 62.300 0.087 0.000 1.003 112 V CB -0.988 30.817 31.823 -0.031 0.000 0.634 112 V HN 0.517 nan 8.190 nan 0.000 0.444 113 T N 0.116 114.668 114.554 -0.003 0.000 2.803 113 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 113 T C 1.800 176.481 174.700 -0.031 0.000 1.052 113 T CA 1.408 63.491 62.100 -0.028 0.000 1.136 113 T CB -0.733 68.118 68.868 -0.027 0.000 0.864 113 T HN 0.650 nan 8.240 nan 0.000 0.467 114 G N 2.398 111.193 108.800 -0.008 0.000 2.575 114 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.215 114 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.215 114 G C 1.428 176.307 174.900 -0.036 0.000 1.262 114 G CA 1.242 46.335 45.100 -0.013 0.000 0.807 114 G HN 0.686 nan 8.290 nan 0.000 0.567 115 E N -0.462 119.726 120.200 -0.020 0.000 2.110 115 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 115 E C 2.215 178.744 176.600 -0.118 0.000 0.988 115 E CA 1.686 58.059 56.400 -0.045 0.000 0.804 115 E CB -1.048 28.651 29.700 -0.000 0.000 0.745 115 E HN 0.258 nan 8.360 nan 0.000 0.458 116 T N 0.200 114.693 114.554 -0.101 0.000 2.803 116 T HA -0.162 4.188 4.350 -0.000 0.000 0.269 116 T C 1.809 176.364 174.700 -0.241 0.000 1.052 116 T CA 1.714 63.725 62.100 -0.149 0.000 1.136 116 T CB -0.437 68.372 68.868 -0.098 0.000 0.864 116 T HN 0.503 nan 8.240 nan 0.000 0.467 117 S N -0.846 114.725 115.700 -0.214 0.000 2.558 117 S HA 0.178 4.648 4.470 -0.000 0.000 0.217 117 S C 0.867 175.229 174.600 -0.397 0.000 0.975 117 S CA -0.041 58.007 58.200 -0.252 0.000 0.912 117 S CB 0.196 63.316 63.200 -0.133 0.000 0.776 117 S HN 0.356 nan 8.310 nan 0.000 0.526 118 T N -0.161 114.129 114.554 -0.440 0.000 2.696 118 T HA 0.551 4.901 4.350 -0.000 0.000 0.291 118 T C -1.791 172.604 174.700 -0.508 0.000 1.095 118 T CA -0.903 60.929 62.100 -0.446 0.000 1.026 118 T CB 0.938 69.782 68.868 -0.040 0.000 1.390 118 T HN 0.423 nan 8.240 nan 0.000 0.513 119 W N -0.280 121.025 121.300 0.007 0.000 2.804 119 W HA 0.686 5.346 4.660 -0.000 0.000 0.352 119 W C 0.138 176.660 176.519 0.006 0.000 1.153 119 W CA -1.023 56.325 57.345 0.006 0.000 1.119 119 W CB 1.602 31.063 29.460 0.003 0.000 1.448 119 W HN 1.016 nan 8.180 nan 0.000 0.600 120 G N 1.265 110.216 108.800 0.252 0.000 2.616 120 G HA2 0.399 4.359 3.960 -0.000 0.000 0.294 120 G HA3 0.399 4.359 3.960 -0.000 0.000 0.294 120 G C -3.075 171.888 174.900 0.104 0.000 1.489 120 G CA -0.947 44.237 45.100 0.140 0.000 0.836 120 G HN 0.039 nan 8.290 nan 0.000 0.527 121 P HA 0.454 nan 4.420 nan 0.000 0.271 121 P C -0.371 176.950 177.300 0.034 0.000 1.233 121 P CA 0.170 63.306 63.100 0.059 0.000 0.764 121 P CB 1.446 33.186 31.700 0.066 0.000 0.825 122 A N 4.264 127.090 122.820 0.011 0.000 2.393 122 A HA 0.453 4.773 4.320 -0.000 0.000 0.306 122 A C 0.020 177.557 177.584 -0.080 0.000 1.050 122 A CA -0.996 51.023 52.037 -0.031 0.000 0.724 122 A CB 1.250 20.232 19.000 -0.030 0.000 1.248 122 A HN 0.428 nan 8.150 nan 0.000 0.424 123 R N 2.007 122.441 120.500 -0.110 0.000 2.446 123 R HA 0.064 4.404 4.340 -0.000 0.000 0.325 123 R C -0.157 176.013 176.300 -0.217 0.000 0.997 123 R CA 0.005 56.008 56.100 -0.162 0.000 1.010 123 R CB 0.224 30.356 30.300 -0.281 0.000 0.946 123 R HN 0.667 nan 8.270 nan 0.000 0.422 124 Q N 4.417 124.011 119.800 -0.344 0.000 2.395 124 Q HA 0.006 4.346 4.340 -0.000 0.000 0.271 124 Q C -1.198 174.645 176.000 -0.262 0.000 1.026 124 Q CA -1.219 54.345 55.803 -0.399 0.000 0.900 124 Q CB 0.462 28.700 28.738 -0.834 0.000 1.266 124 Q HN 0.489 nan 8.270 nan 0.000 0.430 125 P HA -0.152 nan 4.420 nan 0.000 0.213 125 P C -0.213 176.821 177.300 -0.445 0.000 1.170 125 P CA 1.602 64.392 63.100 -0.517 0.000 0.893 125 P CB 0.148 31.281 31.700 -0.945 0.000 0.784 126 Y N -0.335 120.044 120.300 0.130 0.000 2.519 126 Y HA 0.580 5.130 4.550 -0.000 0.000 0.324 126 Y C 1.699 177.751 175.900 0.254 0.000 1.214 126 Y CA -1.115 57.082 58.100 0.162 0.000 1.260 126 Y CB -0.462 38.078 38.460 0.134 0.000 1.311 126 Y HN -0.077 nan 8.280 nan 0.000 0.505 127 G N -0.002 109.034 108.800 0.393 0.000 2.647 127 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.234 127 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.234 127 G C 0.337 175.402 174.900 0.276 0.000 1.252 127 G CA -0.141 45.163 45.100 0.340 0.000 0.846 127 G HN 0.717 nan 8.290 nan 0.000 0.589 128 F N 0.732 120.666 119.950 -0.028 0.000 2.051 128 F HA 0.085 4.612 4.527 -0.000 0.000 0.296 128 F C 1.601 177.186 175.800 -0.358 0.000 1.122 128 F CA 0.982 58.710 58.000 -0.453 0.000 1.201 128 F CB -0.137 38.383 39.000 -0.800 0.000 0.978 128 F HN 0.275 nan 8.300 nan 0.000 0.472 129 F N 1.088 121.245 119.950 0.346 0.000 2.705 129 F HA 0.167 4.694 4.527 -0.000 0.000 0.355 129 F C 1.041 176.916 175.800 0.126 0.000 1.172 129 F CA -0.202 57.928 58.000 0.217 0.000 1.332 129 F CB -0.446 38.657 39.000 0.172 0.000 1.621 129 F HN 0.016 nan 8.300 nan 0.000 0.605 130 L N 0.397 121.734 121.223 0.191 0.000 2.145 130 L HA 0.137 4.477 4.340 -0.000 0.000 0.201 130 L C 1.557 178.492 176.870 0.108 0.000 1.075 130 L CA 1.449 56.377 54.840 0.146 0.000 0.773 130 L CB -0.190 41.949 42.059 0.132 0.000 0.936 130 L HN 0.163 nan 8.230 nan 0.000 0.451 131 E N 1.023 121.276 120.200 0.089 0.000 2.424 131 E HA 0.056 4.406 4.350 -0.000 0.000 0.237 131 E C -0.314 176.336 176.600 0.083 0.000 1.381 131 E CA 0.117 56.559 56.400 0.070 0.000 1.587 131 E CB -0.643 29.086 29.700 0.048 0.000 1.398 131 E HN 0.500 nan 8.360 nan 0.000 0.439 132 T N -2.961 111.654 114.554 0.103 0.000 2.867 132 T HA 0.263 4.613 4.350 -0.000 0.000 0.282 132 T C 0.804 175.534 174.700 0.049 0.000 1.000 132 T CA -0.827 61.330 62.100 0.095 0.000 1.042 132 T CB 2.101 71.047 68.868 0.130 0.000 0.973 132 T HN 0.020 nan 8.240 nan 0.000 0.465 133 E N 1.238 121.457 120.200 0.031 0.000 2.102 133 E HA 0.035 4.385 4.350 -0.000 0.000 0.190 133 E C 0.122 176.706 176.600 -0.028 0.000 0.971 133 E CA 0.563 56.965 56.400 0.003 0.000 0.821 133 E CB 0.311 30.011 29.700 0.001 0.000 0.777 133 E HN 0.742 nan 8.360 nan 0.000 0.460 134 E N 0.825 121.007 120.200 -0.029 0.000 2.166 134 E HA 0.324 4.674 4.350 -0.000 0.000 0.275 134 E C -0.741 175.816 176.600 -0.072 0.000 0.941 134 E CA -0.265 56.078 56.400 -0.095 0.000 0.784 134 E CB 2.185 31.835 29.700 -0.082 0.000 1.115 134 E HN -0.164 nan 8.360 nan 0.000 0.399 135 T N 2.238 116.682 114.554 -0.183 0.000 2.909 135 T HA 0.584 4.934 4.350 -0.000 0.000 0.299 135 T C -1.467 173.074 174.700 -0.264 0.000 1.073 135 T CA -0.583 61.469 62.100 -0.080 0.000 0.999 135 T CB 0.488 69.331 68.868 -0.042 0.000 1.098 135 T HN 0.253 nan 8.240 nan 0.000 0.477 136 F N 1.705 121.551 119.950 -0.175 0.000 2.557 136 F HA 0.551 5.078 4.527 -0.000 0.000 0.336 136 F C 0.686 176.421 175.800 -0.108 0.000 1.058 136 F CA -1.004 56.888 58.000 -0.180 0.000 0.988 136 F CB 1.322 40.153 39.000 -0.281 0.000 1.275 136 F HN 0.496 nan 8.300 nan 0.000 0.488 137 Q N 3.982 123.840 119.800 0.096 0.000 2.313 137 Q HA 0.204 4.544 4.340 -0.000 0.000 0.266 137 Q C -2.474 173.576 176.000 0.082 0.000 0.989 137 Q CA -1.810 54.036 55.803 0.070 0.000 0.890 137 Q CB 0.931 29.712 28.738 0.072 0.000 1.200 137 Q HN 0.179 nan 8.270 nan 0.000 0.396 138 P HA 0.086 nan 4.420 nan 0.000 0.276 138 P C 0.069 177.421 177.300 0.087 0.000 1.253 138 P CA 0.737 63.873 63.100 0.060 0.000 0.766 138 P CB 0.747 32.480 31.700 0.055 0.000 0.845 139 G N 2.644 111.499 108.800 0.092 0.000 2.141 139 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.242 139 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.242 139 G C 0.157 175.202 174.900 0.242 0.000 0.982 139 G CA -0.079 45.117 45.100 0.161 0.000 0.662 139 G HN 0.771 nan 8.290 nan 0.000 0.527 140 R N -0.069 120.548 120.500 0.194 0.000 2.460 140 R HA 0.505 4.845 4.340 -0.000 0.000 0.303 140 R C 0.315 176.788 176.300 0.288 0.000 0.968 140 R CA -1.068 55.194 56.100 0.271 0.000 0.889 140 R CB 0.630 31.061 30.300 0.219 0.000 1.123 140 R HN 0.247 nan 8.270 nan 0.000 0.455 141 W N 6.565 127.998 121.300 0.222 0.000 2.190 141 W HA 0.248 4.908 4.660 -0.000 0.000 0.330 141 W C -1.665 174.983 176.519 0.215 0.000 1.299 141 W CA 0.036 57.485 57.345 0.173 0.000 1.215 141 W CB 0.638 30.235 29.460 0.228 0.000 1.147 141 W HN 0.567 nan 8.180 nan 0.000 0.563 142 F N 7.863 127.408 119.950 -0.676 0.000 2.670 142 F HA 0.316 4.843 4.527 -0.000 0.000 0.332 142 F C -1.740 173.643 175.800 -0.695 0.000 1.179 142 F CA -0.944 56.794 58.000 -0.437 0.000 1.076 142 F CB 1.060 39.913 39.000 -0.244 0.000 1.322 142 F HN 0.165 nan 8.300 nan 0.000 0.515 143 M N 7.067 126.090 119.600 -0.961 0.000 2.053 143 M HA 0.452 4.932 4.480 -0.000 0.000 0.297 143 M C -0.866 175.044 176.300 -0.651 0.000 0.921 143 M CA -0.469 54.447 55.300 -0.641 0.000 0.918 143 M CB 1.208 33.665 32.600 -0.239 0.000 1.499 143 M HN 0.627 nan 8.290 nan 0.000 0.422 144 R N 3.210 123.433 120.500 -0.462 0.000 2.522 144 R HA 0.526 4.866 4.340 -0.000 0.000 0.284 144 R C -0.235 175.964 176.300 -0.168 0.000 1.032 144 R CA 0.320 56.269 56.100 -0.251 0.000 1.049 144 R CB 0.443 30.728 30.300 -0.025 0.000 0.956 144 R HN 0.906 nan 8.270 nan 0.000 0.422 145 A N 3.820 126.562 122.820 -0.129 0.000 2.598 145 A HA 0.244 4.564 4.320 -0.000 0.000 0.239 145 A C 1.310 178.865 177.584 -0.048 0.000 1.032 145 A CA 0.941 52.933 52.037 -0.075 0.000 0.760 145 A CB -0.455 18.518 19.000 -0.046 0.000 0.946 145 A HN 1.457 nan 8.150 nan 0.000 0.512 146 A N 1.389 124.187 122.820 -0.037 0.000 3.737 146 A HA -0.185 4.135 4.320 -0.000 0.000 0.260 146 A C 0.515 178.083 177.584 -0.027 0.000 1.021 146 A CA 1.666 53.688 52.037 -0.025 0.000 1.356 146 A CB -2.244 16.745 19.000 -0.018 0.000 1.043 146 A HN 0.983 nan 8.150 nan 0.000 0.877 147 Q N -1.647 118.127 119.800 -0.044 0.000 2.205 147 Q HA 0.710 5.050 4.340 -0.000 0.000 0.249 147 Q C 1.100 177.073 176.000 -0.045 0.000 0.948 147 Q CA 0.071 55.844 55.803 -0.050 0.000 0.895 147 Q CB 1.590 30.285 28.738 -0.071 0.000 1.249 147 Q HN 0.898 nan 8.270 nan 0.000 0.458 148 A N 0.604 123.400 122.820 -0.040 0.000 2.140 148 A HA 0.484 4.804 4.320 -0.000 0.000 0.209 148 A C 0.327 177.879 177.584 -0.054 0.000 1.181 148 A CA 0.584 52.609 52.037 -0.020 0.000 0.824 148 A CB 0.568 19.563 19.000 -0.008 0.000 0.879 148 A HN 0.582 nan 8.150 nan 0.000 0.480 149 A N -0.248 122.512 122.820 -0.100 0.000 2.353 149 A HA 0.625 4.945 4.320 -0.000 0.000 0.299 149 A C -0.638 176.835 177.584 -0.185 0.000 1.089 149 A CA -0.241 51.703 52.037 -0.155 0.000 0.736 149 A CB 0.854 19.765 19.000 -0.147 0.000 1.195 149 A HN 0.032 nan 8.150 nan 0.000 0.447 150 T N 2.428 116.826 114.554 -0.259 0.000 2.934 150 T HA 0.563 4.913 4.350 -0.000 0.000 0.328 150 T C 0.137 174.663 174.700 -0.290 0.000 1.068 150 T CA 0.048 62.000 62.100 -0.247 0.000 1.018 150 T CB 0.966 69.691 68.868 -0.237 0.000 1.009 150 T HN 1.100 nan 8.240 nan 0.000 0.471 151 A N 2.967 125.628 122.820 -0.266 0.000 2.401 151 A HA 0.780 5.100 4.320 -0.000 0.000 0.259 151 A C -0.149 177.200 177.584 -0.391 0.000 1.103 151 A CA -0.437 51.414 52.037 -0.310 0.000 0.789 151 A CB 0.606 19.444 19.000 -0.269 0.000 1.035 151 A HN 0.682 nan 8.150 nan 0.000 0.491 152 V N 3.272 122.903 119.914 -0.472 0.000 3.000 152 V HA 0.448 4.568 4.120 -0.000 0.000 0.300 152 V C -0.257 175.511 176.094 -0.544 0.000 1.251 152 V CA -0.308 61.623 62.300 -0.615 0.000 0.972 152 V CB 2.276 33.495 31.823 -1.006 0.000 1.065 152 V HN 1.507 nan 8.190 nan 0.000 0.431 153 V N 4.199 123.805 119.914 -0.513 0.000 2.811 153 V HA 0.438 4.558 4.120 -0.000 0.000 0.302 153 V C 0.657 176.644 176.094 -0.178 0.000 1.063 153 V CA 0.782 62.797 62.300 -0.475 0.000 1.088 153 V CB 0.850 32.370 31.823 -0.505 0.000 0.982 153 V HN 1.669 nan 8.190 nan 0.000 0.485 154 C N 2.294 121.511 119.300 -0.138 0.000 3.613 154 C HA 0.857 5.317 4.460 -0.000 0.000 0.277 154 C C 0.551 175.547 174.990 0.011 0.000 2.235 154 C CA 0.005 59.012 59.018 -0.019 0.000 1.657 154 C CB -1.200 26.528 27.740 -0.021 0.000 3.412 154 C HN 1.810 nan 8.230 nan 0.000 0.432 155 G N 0.519 109.331 108.800 0.020 0.000 2.451 155 G HA2 0.561 4.521 3.960 -0.000 0.000 0.292 155 G HA3 0.561 4.521 3.960 -0.000 0.000 0.292 155 G C -2.999 172.005 174.900 0.173 0.000 1.427 155 G CA -0.497 44.656 45.100 0.090 0.000 0.792 155 G HN -0.187 nan 8.290 nan 0.000 0.498 156 P HA 0.134 nan 4.420 nan 0.000 0.229 156 P C 0.328 177.849 177.300 0.368 0.000 1.160 156 P CA 1.412 64.672 63.100 0.266 0.000 0.777 156 P CB 0.343 32.160 31.700 0.195 0.000 0.814 157 D N -3.155 117.462 120.400 0.363 0.000 2.712 157 D HA 0.218 4.858 4.640 -0.000 0.000 0.300 157 D C -0.183 176.348 176.300 0.386 0.000 1.521 157 D CA -0.106 54.126 54.000 0.386 0.000 0.790 157 D CB -0.280 40.692 40.800 0.286 0.000 1.155 157 D HN 0.016 nan 8.370 nan 0.000 0.456 158 M N 1.568 121.388 119.600 0.367 0.000 2.501 158 M HA 0.606 5.086 4.480 -0.000 0.000 0.293 158 M C -1.873 174.414 176.300 -0.020 0.000 1.192 158 M CA -0.588 54.825 55.300 0.189 0.000 0.886 158 M CB 2.758 35.427 32.600 0.115 0.000 1.710 158 M HN 0.178 nan 8.290 nan 0.000 0.457 159 I N 0.415 120.945 120.570 -0.067 0.000 3.095 159 I HA 0.766 4.936 4.170 -0.000 0.000 0.310 159 I C -1.830 174.194 176.117 -0.156 0.000 1.196 159 I CA -0.787 60.358 61.300 -0.259 0.000 0.985 159 I CB 2.541 40.293 38.000 -0.414 0.000 1.250 159 I HN 0.773 nan 8.210 nan 0.000 0.446 160 Q N 2.404 122.070 119.800 -0.222 0.000 2.284 160 Q HA 0.699 5.039 4.340 -0.000 0.000 0.269 160 Q C -1.973 173.870 176.000 -0.263 0.000 1.026 160 Q CA -0.955 54.734 55.803 -0.189 0.000 0.831 160 Q CB 2.650 31.293 28.738 -0.158 0.000 1.322 160 Q HN 0.567 nan 8.270 nan 0.000 0.419 161 V N 1.664 121.431 119.914 -0.246 0.000 2.472 161 V HA 0.453 4.573 4.120 -0.000 0.000 0.290 161 V C -0.177 175.712 176.094 -0.342 0.000 1.037 161 V CA -0.602 61.526 62.300 -0.288 0.000 0.908 161 V CB 1.684 33.356 31.823 -0.251 0.000 0.985 161 V HN 0.859 nan 8.190 nan 0.000 0.454 162 S N 6.050 121.482 115.700 -0.447 0.000 2.420 162 S HA 0.580 5.050 4.470 -0.000 0.000 0.313 162 S C -0.553 173.756 174.600 -0.484 0.000 1.079 162 S CA -0.497 57.289 58.200 -0.689 0.000 1.104 162 S CB 0.382 62.860 63.200 -1.205 0.000 0.969 162 S HN 0.393 nan 8.310 nan 0.000 0.471 163 L N 3.702 124.813 121.223 -0.187 0.000 2.325 163 L HA 0.523 4.863 4.340 -0.000 0.000 0.278 163 L C 0.303 177.356 176.870 0.305 0.000 1.023 163 L CA -0.535 54.309 54.840 0.006 0.000 0.811 163 L CB 1.255 43.296 42.059 -0.030 0.000 1.249 163 L HN 0.498 nan 8.230 nan 0.000 0.431 164 N N 0.922 119.762 118.700 0.234 0.000 2.493 164 N HA 0.329 5.069 4.740 -0.000 0.000 0.275 164 N C -0.039 175.542 175.510 0.118 0.000 1.186 164 N CA -0.437 52.758 53.050 0.242 0.000 0.978 164 N CB 1.445 40.032 38.487 0.166 0.000 1.184 164 N HN 0.663 nan 8.380 nan 0.000 0.487 165 A N 0.216 123.082 122.820 0.077 0.000 2.540 165 A HA 0.382 4.702 4.320 -0.000 0.000 0.264 165 A C 1.289 178.891 177.584 0.030 0.000 1.080 165 A CA 0.753 52.816 52.037 0.044 0.000 0.776 165 A CB -1.269 17.743 19.000 0.021 0.000 1.011 165 A HN 0.927 nan 8.150 nan 0.000 0.514 166 G N 0.893 109.707 108.800 0.023 0.000 2.141 166 G HA2 0.179 4.139 3.960 -0.000 0.000 0.231 166 G HA3 0.179 4.139 3.960 -0.000 0.000 0.231 166 G C 0.443 175.345 174.900 0.003 0.000 0.984 166 G CA 0.296 45.403 45.100 0.010 0.000 0.660 166 G HN 2.088 nan 8.290 nan 0.000 0.525 167 A N -0.165 122.655 122.820 0.000 0.000 2.279 167 A HA 0.990 5.310 4.320 -0.000 0.000 0.303 167 A C 0.534 178.079 177.584 -0.065 0.000 1.108 167 A CA 0.504 52.530 52.037 -0.019 0.000 0.830 167 A CB 0.661 19.656 19.000 -0.008 0.000 1.106 167 A HN 1.572 nan 8.150 nan 0.000 0.493 168 R N -0.347 120.105 120.500 -0.080 0.000 2.734 168 R HA 0.812 5.152 4.340 -0.000 0.000 0.271 168 R C -0.372 175.837 176.300 -0.151 0.000 1.021 168 R CA -0.341 55.655 56.100 -0.174 0.000 0.893 168 R CB 1.331 31.573 30.300 -0.096 0.000 1.244 168 R HN 1.882 nan 8.270 nan 0.000 0.464 169 G N 0.800 109.400 108.800 -0.334 0.000 2.384 169 G HA2 0.230 4.190 3.960 -0.000 0.000 0.300 169 G HA3 0.230 4.190 3.960 -0.000 0.000 0.300 169 G C -1.852 173.005 174.900 -0.071 0.000 1.582 169 G CA -0.922 44.133 45.100 -0.075 0.000 0.875 169 G HN 0.525 nan 8.290 nan 0.000 0.628 170 D N -0.608 119.884 120.400 0.152 0.000 2.368 170 D HA 0.407 5.047 4.640 -0.000 0.000 0.240 170 D C 1.058 177.357 176.300 -0.002 0.000 1.169 170 D CA -0.080 53.986 54.000 0.110 0.000 0.906 170 D CB 2.116 42.977 40.800 0.103 0.000 1.187 170 D HN 0.201 nan 8.370 nan 0.000 0.435 171 V N 0.593 120.501 119.914 -0.010 0.000 3.408 171 V HA -0.114 4.005 4.120 -0.000 0.000 0.263 171 V C 2.148 178.319 176.094 0.128 0.000 1.503 171 V CA -0.112 62.184 62.300 -0.006 0.000 1.046 171 V CB 0.040 31.824 31.823 -0.065 0.000 0.851 171 V HN 0.501 nan 8.190 nan 0.000 0.435 172 Q N 2.313 122.232 119.800 0.197 0.000 2.250 172 Q HA -0.367 3.973 4.340 -0.000 0.000 0.215 172 Q C 1.844 178.108 176.000 0.439 0.000 1.002 172 Q CA 2.702 58.777 55.803 0.453 0.000 0.910 172 Q CB -0.949 28.050 28.738 0.434 0.000 0.939 172 Q HN 0.814 nan 8.270 nan 0.000 0.416 173 Q N 0.539 120.475 119.800 0.227 0.000 2.297 173 Q HA -0.138 4.202 4.340 -0.000 0.000 0.208 173 Q C 1.994 178.074 176.000 0.133 0.000 0.981 173 Q CA 1.452 57.351 55.803 0.159 0.000 0.876 173 Q CB -0.686 28.103 28.738 0.084 0.000 0.921 173 Q HN 0.511 nan 8.270 nan 0.000 0.446 174 I N 0.124 120.731 120.570 0.063 0.000 2.493 174 I HA -0.125 4.045 4.170 -0.000 0.000 0.254 174 I C 1.345 177.470 176.117 0.013 0.000 1.160 174 I CA 0.890 62.133 61.300 -0.096 0.000 1.445 174 I CB -0.094 37.685 38.000 -0.368 0.000 1.086 174 I HN -0.008 nan 8.210 nan 0.000 0.433 175 F N -0.024 120.070 119.950 0.240 0.000 2.274 175 F HA 0.158 4.685 4.527 -0.000 0.000 0.288 175 F C 1.562 177.500 175.800 0.230 0.000 1.069 175 F CA 0.072 58.200 58.000 0.214 0.000 1.343 175 F CB -0.925 38.117 39.000 0.069 0.000 1.089 175 F HN -0.101 nan 8.300 nan 0.000 0.517 176 Q N 0.128 120.151 119.800 0.371 0.000 2.479 176 Q HA 0.266 4.606 4.340 -0.000 0.000 0.267 176 Q C 1.399 177.507 176.000 0.180 0.000 1.071 176 Q CA 1.001 56.937 55.803 0.222 0.000 0.935 176 Q CB 0.079 28.913 28.738 0.160 0.000 1.295 176 Q HN 0.548 nan 8.270 nan 0.000 0.476 177 G N 0.841 109.714 108.800 0.121 0.000 2.268 177 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.240 177 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.240 177 G C -0.139 174.809 174.900 0.079 0.000 1.010 177 G CA 0.156 45.309 45.100 0.087 0.000 0.618 177 G HN 0.552 nan 8.290 nan 0.000 0.516 178 R N 0.973 121.542 120.500 0.115 0.000 2.428 178 R HA 0.633 4.973 4.340 -0.000 0.000 0.294 178 R C 0.915 177.194 176.300 -0.036 0.000 1.000 178 R CA -0.086 56.039 56.100 0.041 0.000 0.960 178 R CB 0.595 30.935 30.300 0.067 0.000 1.076 178 R HN 0.540 nan 8.270 nan 0.000 0.475 179 N N 0.505 119.152 118.700 -0.088 0.000 1.202 179 N HA -0.332 4.408 4.740 -0.000 0.000 0.108 179 N C -0.522 174.980 175.510 -0.014 0.000 0.816 179 N CA 1.747 54.753 53.050 -0.074 0.000 0.848 179 N CB -0.472 37.923 38.487 -0.154 0.000 0.972 179 N HN 0.844 nan 8.380 nan 0.000 0.645 180 D N -0.172 120.238 120.400 0.017 0.000 3.602 180 D HA 0.242 4.882 4.640 -0.000 0.000 0.275 180 D C -2.830 173.497 176.300 0.046 0.000 1.348 180 D CA -0.831 53.178 54.000 0.014 0.000 0.768 180 D CB 0.255 41.047 40.800 -0.013 0.000 1.373 180 D HN 0.300 nan 8.370 nan 0.000 0.683 181 P HA 0.148 nan 4.420 nan 0.000 0.271 181 P C 0.501 177.819 177.300 0.029 0.000 1.233 181 P CA -0.281 62.914 63.100 0.158 0.000 0.789 181 P CB 1.206 33.069 31.700 0.271 0.000 0.951 182 M N -0.613 119.007 119.600 0.034 0.000 2.538 182 M HA 0.239 4.719 4.480 -0.000 0.000 0.259 182 M C 0.373 176.628 176.300 -0.076 0.000 1.217 182 M CA 0.558 55.842 55.300 -0.027 0.000 1.131 182 M CB 0.350 32.956 32.600 0.010 0.000 1.382 182 M HN 0.283 nan 8.290 nan 0.000 0.520 183 M N 0.780 120.357 119.600 -0.040 0.000 2.333 183 M HA 0.492 4.972 4.480 -0.000 0.000 0.286 183 M C -2.270 173.963 176.300 -0.111 0.000 1.113 183 M CA -0.302 54.901 55.300 -0.163 0.000 0.959 183 M CB 1.984 34.505 32.600 -0.131 0.000 1.776 183 M HN 0.046 nan 8.290 nan 0.000 0.492 184 I N 4.961 125.356 120.570 -0.292 0.000 2.410 184 I HA 0.340 4.510 4.170 -0.000 0.000 0.286 184 I C -1.376 174.554 176.117 -0.311 0.000 1.009 184 I CA -0.753 60.457 61.300 -0.151 0.000 1.111 184 I CB 1.432 39.319 38.000 -0.188 0.000 1.262 184 I HN 0.584 nan 8.210 nan 0.000 0.443 185 Y N 6.511 126.677 120.300 -0.224 0.000 2.452 185 Y HA 0.396 4.946 4.550 -0.000 0.000 0.348 185 Y C -0.136 175.658 175.900 -0.176 0.000 0.985 185 Y CA -0.454 57.467 58.100 -0.299 0.000 1.214 185 Y CB 0.463 38.469 38.460 -0.756 0.000 1.136 185 Y HN 0.333 nan 8.280 nan 0.000 0.523 186 L N 3.350 124.573 121.223 0.001 0.000 2.313 186 L HA 0.735 5.075 4.340 -0.000 0.000 0.268 186 L C -0.631 176.288 176.870 0.081 0.000 1.010 186 L CA -1.259 53.605 54.840 0.040 0.000 0.814 186 L CB 1.995 44.049 42.059 -0.007 0.000 1.304 186 L HN 0.349 nan 8.230 nan 0.000 0.441 187 V N 2.726 122.709 119.914 0.115 0.000 2.663 187 V HA 0.423 4.543 4.120 -0.000 0.000 0.286 187 V C -1.617 174.562 176.094 0.143 0.000 1.085 187 V CA -0.530 61.829 62.300 0.099 0.000 0.916 187 V CB 1.182 33.039 31.823 0.056 0.000 1.039 187 V HN 0.768 nan 8.190 nan 0.000 0.453 188 W N 6.533 127.828 121.300 -0.007 0.000 2.449 188 W HA 0.852 5.512 4.660 -0.000 0.000 0.331 188 W C -1.056 175.461 176.519 -0.003 0.000 1.119 188 W CA -0.912 56.427 57.345 -0.011 0.000 1.240 188 W CB 1.167 30.603 29.460 -0.039 0.000 1.251 188 W HN 0.562 nan 8.180 nan 0.000 0.576 189 R N 2.030 122.590 120.500 0.100 0.000 2.771 189 R HA 0.458 4.798 4.340 -0.000 0.000 0.274 189 R C -0.529 175.855 176.300 0.139 0.000 0.987 189 R CA -1.330 54.727 56.100 -0.072 0.000 0.908 189 R CB 2.751 33.029 30.300 -0.037 0.000 1.213 189 R HN 0.448 nan 8.270 nan 0.000 0.468 190 R N 1.641 122.187 120.500 0.076 0.000 2.234 190 R HA 0.268 4.608 4.340 -0.000 0.000 0.324 190 R C -0.048 176.330 176.300 0.130 0.000 1.054 190 R CA -0.232 55.969 56.100 0.169 0.000 0.912 190 R CB 0.527 30.919 30.300 0.153 0.000 1.030 190 R HN 0.467 nan 8.270 nan 0.000 0.455 191 I N 3.744 124.397 120.570 0.138 0.000 2.455 191 I HA -0.065 4.105 4.170 -0.000 0.000 0.303 191 I C 1.343 177.622 176.117 0.270 0.000 1.180 191 I CA 0.201 61.599 61.300 0.165 0.000 1.469 191 I CB 0.309 38.379 38.000 0.116 0.000 1.480 191 I HN 0.607 nan 8.210 nan 0.000 0.669 192 E N 4.261 124.574 120.200 0.190 0.000 2.331 192 E HA -0.154 4.196 4.350 -0.000 0.000 0.199 192 E C 0.479 177.173 176.600 0.157 0.000 1.008 192 E CA 1.064 57.563 56.400 0.164 0.000 0.843 192 E CB 0.114 29.870 29.700 0.093 0.000 0.761 192 E HN 0.612 nan 8.360 nan 0.000 0.507 193 N N -0.271 118.541 118.700 0.186 0.000 2.701 193 N HA 0.090 4.830 4.740 -0.000 0.000 0.258 193 N C -1.420 174.184 175.510 0.157 0.000 1.262 193 N CA -0.351 52.750 53.050 0.086 0.000 0.780 193 N CB 0.120 38.631 38.487 0.040 0.000 1.380 193 N HN -0.046 nan 8.380 nan 0.000 0.548 194 F N 1.232 121.223 119.950 0.069 0.000 2.541 194 F HA 0.897 5.424 4.527 -0.000 0.000 0.331 194 F C -0.067 175.785 175.800 0.086 0.000 1.057 194 F CA -1.199 56.855 58.000 0.090 0.000 0.975 194 F CB 0.563 39.642 39.000 0.131 0.000 1.246 194 F HN 0.144 nan 8.300 nan 0.000 0.484 195 A N 3.094 126.075 122.820 0.269 0.000 2.310 195 A HA 0.648 4.968 4.320 -0.000 0.000 0.299 195 A C -0.183 177.561 177.584 0.267 0.000 1.147 195 A CA -0.736 51.395 52.037 0.157 0.000 0.818 195 A CB 0.383 19.476 19.000 0.155 0.000 1.096 195 A HN 0.745 nan 8.150 nan 0.000 0.495 196 M N 1.518 121.186 119.600 0.112 0.000 2.368 196 M HA 0.333 4.813 4.480 -0.000 0.000 0.311 196 M C 1.649 178.045 176.300 0.159 0.000 1.168 196 M CA -0.195 55.175 55.300 0.116 0.000 1.044 196 M CB 0.969 33.518 32.600 -0.084 0.000 1.506 196 M HN 0.910 nan 8.290 nan 0.000 0.475 197 A N 1.126 124.064 122.820 0.197 0.000 2.009 197 A HA -0.216 4.104 4.320 -0.000 0.000 0.222 197 A C 1.760 179.413 177.584 0.115 0.000 1.175 197 A CA 1.768 53.928 52.037 0.206 0.000 0.651 197 A CB -0.379 18.745 19.000 0.206 0.000 0.815 197 A HN 0.810 nan 8.150 nan 0.000 0.459 198 Q N -2.756 117.079 119.800 0.058 0.000 2.250 198 Q HA 0.179 4.519 4.340 -0.000 0.000 0.200 198 Q C 1.588 177.609 176.000 0.034 0.000 0.941 198 Q CA 1.310 57.133 55.803 0.034 0.000 0.872 198 Q CB 0.320 29.059 28.738 0.001 0.000 0.965 198 Q HN 0.994 nan 8.270 nan 0.000 0.480 199 G N 1.081 109.902 108.800 0.035 0.000 2.485 199 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.181 199 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.181 199 G C -0.011 174.892 174.900 0.005 0.000 0.999 199 G CA -0.093 45.026 45.100 0.032 0.000 0.721 199 G HN 0.499 nan 8.290 nan 0.000 0.486 200 N N 0.784 119.470 118.700 -0.022 0.000 2.482 200 N HA 0.505 5.245 4.740 -0.000 0.000 0.260 200 N C 0.141 175.597 175.510 -0.090 0.000 1.236 200 N CA 0.313 53.331 53.050 -0.055 0.000 0.938 200 N CB 0.946 39.390 38.487 -0.072 0.000 1.128 200 N HN 0.080 nan 8.380 nan 0.000 0.448 201 S N 0.023 115.659 115.700 -0.107 0.000 2.545 201 S HA 0.147 4.617 4.470 -0.000 0.000 0.275 201 S C -0.283 174.158 174.600 -0.265 0.000 1.299 201 S CA -0.530 57.575 58.200 -0.159 0.000 1.048 201 S CB 0.857 63.993 63.200 -0.106 0.000 0.938 201 S HN 0.675 nan 8.310 nan 0.000 0.496 202 Q N 1.576 121.089 119.800 -0.478 0.000 2.372 202 Q HA 0.471 4.811 4.340 -0.000 0.000 0.273 202 Q C -1.474 174.125 176.000 -0.668 0.000 1.078 202 Q CA -0.575 54.839 55.803 -0.648 0.000 0.806 202 Q CB 1.469 29.624 28.738 -0.972 0.000 1.332 202 Q HN 0.535 nan 8.270 nan 0.000 0.435 203 Q N 0.624 120.238 119.800 -0.311 0.000 2.222 203 Q HA 0.573 4.913 4.340 -0.000 0.000 0.252 203 Q C -1.079 174.981 176.000 0.102 0.000 0.926 203 Q CA -0.183 55.571 55.803 -0.083 0.000 0.899 203 Q CB 2.067 30.784 28.738 -0.035 0.000 1.250 203 Q HN 0.638 nan 8.270 nan 0.000 0.441 204 T N 3.209 117.911 114.554 0.246 0.000 2.795 204 T HA 0.329 4.679 4.350 -0.000 0.000 0.282 204 T C -0.606 174.189 174.700 0.159 0.000 0.980 204 T CA -0.810 61.463 62.100 0.288 0.000 1.012 204 T CB 0.847 69.909 68.868 0.322 0.000 0.936 204 T HN 0.313 nan 8.240 nan 0.000 0.457 205 Q N 1.522 121.398 119.800 0.126 0.000 2.259 205 Q HA 0.526 4.866 4.340 -0.000 0.000 0.246 205 Q C -0.071 175.984 176.000 0.091 0.000 0.920 205 Q CA -0.571 55.285 55.803 0.087 0.000 0.895 205 Q CB 1.196 29.973 28.738 0.064 0.000 1.220 205 Q HN 0.821 nan 8.270 nan 0.000 0.439 206 A N 0.665 123.528 122.820 0.073 0.000 2.484 206 A HA 0.481 4.801 4.320 -0.000 0.000 0.268 206 A C 0.994 178.622 177.584 0.073 0.000 1.114 206 A CA 0.875 52.957 52.037 0.074 0.000 0.780 206 A CB -0.481 18.550 19.000 0.052 0.000 1.061 206 A HN 0.875 nan 8.150 nan 0.000 0.505 207 G N 1.550 110.406 108.800 0.095 0.000 3.509 207 G HA2 0.008 3.968 3.960 -0.000 0.000 0.220 207 G HA3 0.008 3.968 3.960 -0.000 0.000 0.220 207 G C 0.079 175.028 174.900 0.082 0.000 0.951 207 G CA 0.037 45.184 45.100 0.078 0.000 0.844 207 G HN 1.043 nan 8.290 nan 0.000 0.568 208 V N 2.846 122.822 119.914 0.102 0.000 2.763 208 V HA 0.508 4.628 4.120 -0.000 0.000 0.306 208 V C 0.949 177.076 176.094 0.054 0.000 1.059 208 V CA 1.008 63.340 62.300 0.054 0.000 1.138 208 V CB 0.868 32.733 31.823 0.069 0.000 0.940 208 V HN 0.758 nan 8.190 nan 0.000 0.489 209 T N 1.368 115.857 114.554 -0.108 0.000 2.901 209 T HA 0.810 5.160 4.350 -0.000 0.000 0.293 209 T C -0.949 173.471 174.700 -0.467 0.000 1.084 209 T CA -0.808 61.189 62.100 -0.172 0.000 1.008 209 T CB 1.973 70.813 68.868 -0.047 0.000 1.170 209 T HN 0.372 nan 8.240 nan 0.000 0.509 210 V N 2.048 121.637 119.914 -0.540 0.000 2.623 210 V HA 0.745 4.865 4.120 -0.000 0.000 0.304 210 V C -0.352 175.564 176.094 -0.297 0.000 1.054 210 V CA -0.805 61.116 62.300 -0.632 0.000 0.882 210 V CB 1.829 32.911 31.823 -1.235 0.000 1.002 210 V HN 1.286 nan 8.190 nan 0.000 0.424 211 S N 3.491 119.063 115.700 -0.213 0.000 2.521 211 S HA 0.861 5.331 4.470 -0.000 0.000 0.295 211 S C -0.972 173.549 174.600 -0.132 0.000 1.098 211 S CA -0.779 57.356 58.200 -0.107 0.000 0.999 211 S CB 1.969 65.150 63.200 -0.032 0.000 1.034 211 S HN 0.450 nan 8.310 nan 0.000 0.483 212 V N 2.148 121.993 119.914 -0.115 0.000 2.435 212 V HA 0.699 4.819 4.120 -0.000 0.000 0.290 212 V C 1.351 177.420 176.094 -0.042 0.000 1.030 212 V CA 0.028 62.246 62.300 -0.137 0.000 0.881 212 V CB 0.497 32.234 31.823 -0.145 0.000 0.983 212 V HN 1.570 nan 8.190 nan 0.000 0.445 213 G N 3.257 112.049 108.800 -0.014 0.000 2.309 213 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.286 213 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.286 213 G C 1.204 176.096 174.900 -0.013 0.000 1.002 213 G CA 1.218 46.324 45.100 0.010 0.000 0.786 213 G HN 2.212 nan 8.290 nan 0.000 0.511 214 G N -2.730 106.053 108.800 -0.029 0.000 2.349 214 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.213 214 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.213 214 G C 0.796 175.686 174.900 -0.016 0.000 1.044 214 G CA 0.751 45.833 45.100 -0.031 0.000 0.633 214 G HN 1.859 nan 8.290 nan 0.000 0.506 215 V N 2.153 122.061 119.914 -0.010 0.000 2.614 215 V HA 0.525 4.645 4.120 -0.000 0.000 0.291 215 V C 0.207 176.300 176.094 -0.001 0.000 1.049 215 V CA 0.348 62.647 62.300 -0.000 0.000 1.038 215 V CB 1.376 33.203 31.823 0.007 0.000 0.980 215 V HN 0.417 nan 8.190 nan 0.000 0.481 216 D N 6.269 126.676 120.400 0.012 0.000 2.312 216 D HA 0.328 4.968 4.640 -0.000 0.000 0.252 216 D C -0.167 176.166 176.300 0.055 0.000 1.150 216 D CA -0.270 53.744 54.000 0.023 0.000 0.870 216 D CB 0.599 41.418 40.800 0.032 0.000 1.153 216 D HN 0.395 nan 8.370 nan 0.000 0.457 217 M N 2.565 122.217 119.600 0.087 0.000 2.598 217 M HA 0.417 4.897 4.480 -0.000 0.000 0.317 217 M C 0.504 176.989 176.300 0.309 0.000 1.201 217 M CA -0.541 54.858 55.300 0.165 0.000 0.971 217 M CB 1.570 34.271 32.600 0.169 0.000 1.657 217 M HN 0.348 nan 8.290 nan 0.000 0.470 218 R N 0.319 120.949 120.500 0.216 0.000 2.583 218 R HA 0.708 5.048 4.340 -0.000 0.000 0.268 218 R C -0.253 176.003 176.300 -0.072 0.000 1.101 218 R CA -0.538 55.634 56.100 0.120 0.000 1.180 218 R CB 0.662 30.968 30.300 0.010 0.000 1.128 218 R HN 0.802 nan 8.270 nan 0.000 0.568 219 A N 0.003 122.517 122.820 -0.511 0.000 2.301 219 A HA 0.518 4.838 4.320 -0.000 0.000 0.312 219 A C 0.737 177.941 177.584 -0.633 0.000 1.182 219 A CA 0.176 51.440 52.037 -1.288 0.000 0.826 219 A CB 0.805 18.835 19.000 -1.617 0.000 1.134 219 A HN 0.834 nan 8.150 nan 0.000 0.501 220 G N 0.915 109.391 108.800 -0.540 0.000 2.141 220 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.242 220 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.242 220 G C 0.129 174.945 174.900 -0.139 0.000 0.982 220 G CA 0.533 45.480 45.100 -0.257 0.000 0.662 220 G HN 0.865 nan 8.290 nan 0.000 0.527 221 R N -0.622 119.804 120.500 -0.124 0.000 2.670 221 R HA 0.750 5.090 4.340 -0.000 0.000 0.289 221 R C 0.644 176.955 176.300 0.018 0.000 0.965 221 R CA -0.822 55.259 56.100 -0.032 0.000 0.899 221 R CB 0.853 31.143 30.300 -0.016 0.000 1.173 221 R HN 0.228 nan 8.270 nan 0.000 0.456 222 I N 3.516 124.118 120.570 0.053 0.000 2.754 222 I HA 0.179 4.349 4.170 -0.000 0.000 0.285 222 I C 0.013 176.187 176.117 0.094 0.000 1.166 222 I CA 0.516 61.870 61.300 0.090 0.000 1.417 222 I CB 0.412 38.489 38.000 0.128 0.000 1.382 222 I HN 0.375 nan 8.210 nan 0.000 0.588 223 I N 4.961 125.580 120.570 0.082 0.000 2.512 223 I HA 0.376 4.546 4.170 -0.000 0.000 0.287 223 I C -0.138 175.949 176.117 -0.051 0.000 1.069 223 I CA -0.691 60.634 61.300 0.041 0.000 1.056 223 I CB 1.866 39.891 38.000 0.041 0.000 1.229 223 I HN 0.599 nan 8.210 nan 0.000 0.429 224 A N 5.995 128.760 122.820 -0.092 0.000 2.395 224 A HA 0.269 4.589 4.320 -0.000 0.000 0.286 224 A C -1.247 176.260 177.584 -0.128 0.000 1.193 224 A CA 0.091 51.937 52.037 -0.319 0.000 0.852 224 A CB -0.161 18.723 19.000 -0.194 0.000 1.118 224 A HN 0.702 nan 8.150 nan 0.000 0.524 225 W N 4.761 125.815 121.300 -0.409 0.000 2.411 225 W HA 0.362 5.022 4.660 -0.000 0.000 0.317 225 W C 0.414 176.768 176.519 -0.275 0.000 1.030 225 W CA -1.414 55.752 57.345 -0.300 0.000 1.239 225 W CB 1.186 30.453 29.460 -0.322 0.000 1.304 225 W HN 0.821 nan 8.180 nan 0.000 0.437 226 D N 2.995 123.109 120.400 -0.476 0.000 2.378 226 D HA -0.049 4.591 4.640 -0.000 0.000 0.222 226 D C 1.596 177.374 176.300 -0.871 0.000 0.980 226 D CA 1.052 54.738 54.000 -0.524 0.000 0.907 226 D CB -0.159 40.483 40.800 -0.265 0.000 0.899 226 D HN 0.835 nan 8.370 nan 0.000 0.527 227 G N 0.727 108.355 108.800 -1.952 0.000 2.245 227 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.264 227 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.264 227 G C 1.222 175.576 174.900 -0.909 0.000 0.985 227 G CA 0.555 44.454 45.100 -2.002 0.000 0.625 227 G HN 0.378 nan 8.290 nan 0.000 0.536 228 Q N -0.101 119.405 119.800 -0.489 0.000 2.390 228 Q HA 0.502 4.842 4.340 -0.000 0.000 0.216 228 Q C 1.859 177.912 176.000 0.089 0.000 0.916 228 Q CA 0.895 56.625 55.803 -0.122 0.000 0.911 228 Q CB -0.154 28.518 28.738 -0.110 0.000 1.035 228 Q HN 1.018 nan 8.270 nan 0.000 0.541 229 A N 1.436 124.377 122.820 0.202 0.000 2.475 229 A HA 0.392 4.712 4.320 -0.000 0.000 0.239 229 A C 0.119 177.902 177.584 0.331 0.000 1.087 229 A CA 0.414 52.626 52.037 0.290 0.000 0.779 229 A CB 0.015 19.203 19.000 0.313 0.000 1.036 229 A HN 0.260 nan 8.150 nan 0.000 0.506 230 A N 0.714 123.617 122.820 0.138 0.000 2.444 230 A HA 0.431 4.751 4.320 -0.000 0.000 0.287 230 A C -0.001 177.556 177.584 -0.044 0.000 1.195 230 A CA -0.230 51.840 52.037 0.056 0.000 0.858 230 A CB -0.621 18.376 19.000 -0.005 0.000 1.117 230 A HN 1.254 nan 8.150 nan 0.000 0.521 231 L N 4.379 125.525 121.223 -0.127 0.000 2.375 231 L HA 0.302 4.642 4.340 -0.000 0.000 0.276 231 L C -0.172 176.598 176.870 -0.166 0.000 1.162 231 L CA 0.014 54.633 54.840 -0.368 0.000 0.991 231 L CB -0.766 40.874 42.059 -0.699 0.000 1.315 231 L HN 0.689 nan 8.230 nan 0.000 0.431 232 H N 2.417 121.344 119.070 -0.238 0.000 2.489 232 H HA 0.635 5.191 4.556 -0.000 0.000 0.322 232 H C -1.034 174.149 175.328 -0.242 0.000 1.091 232 H CA -0.445 55.488 56.048 -0.192 0.000 1.291 232 H CB 1.237 30.917 29.762 -0.137 0.000 1.436 232 H HN 0.303 nan 8.280 nan 0.000 0.480 233 V N 6.546 126.099 119.914 -0.603 0.000 2.459 233 V HA 0.510 4.630 4.120 -0.000 0.000 0.295 233 V C 0.017 175.758 176.094 -0.587 0.000 1.029 233 V CA -0.820 61.157 62.300 -0.538 0.000 0.874 233 V CB 1.511 33.072 31.823 -0.436 0.000 0.985 233 V HN 0.762 nan 8.190 nan 0.000 0.438 234 R N 2.764 123.023 120.500 -0.401 0.000 2.670 234 R HA 0.512 4.852 4.340 -0.000 0.000 0.289 234 R C -0.815 175.386 176.300 -0.166 0.000 0.965 234 R CA -0.773 55.169 56.100 -0.263 0.000 0.899 234 R CB 1.824 32.037 30.300 -0.146 0.000 1.173 234 R HN 0.673 nan 8.270 nan 0.000 0.456 235 N N 3.109 121.745 118.700 -0.107 0.000 2.682 235 N HA 0.218 4.958 4.740 -0.000 0.000 0.252 235 N C -2.176 173.323 175.510 -0.018 0.000 1.081 235 N CA -2.157 50.863 53.050 -0.050 0.000 0.844 235 N CB 1.303 39.772 38.487 -0.031 0.000 1.167 235 N HN 0.308 nan 8.380 nan 0.000 0.523 236 P HA 0.049 nan 4.420 nan 0.000 0.249 236 P C 0.386 177.694 177.300 0.014 0.000 1.229 236 P CA 0.148 63.250 63.100 0.004 0.000 0.788 236 P CB 0.378 32.082 31.700 0.007 0.000 1.072 237 T N 1.215 115.782 114.554 0.022 0.000 2.899 237 T HA 0.107 4.457 4.350 -0.000 0.000 0.295 237 T C 0.602 175.318 174.700 0.026 0.000 1.033 237 T CA -0.142 61.976 62.100 0.029 0.000 1.084 237 T CB 0.216 69.111 68.868 0.045 0.000 0.979 237 T HN -0.093 nan 8.240 nan 0.000 0.532 238 Q N 3.860 123.673 119.800 0.021 0.000 3.207 238 Q HA 0.338 4.678 4.340 -0.000 0.000 0.335 238 Q C -0.257 175.750 176.000 0.011 0.000 1.374 238 Q CA 0.185 55.996 55.803 0.013 0.000 1.023 238 Q CB 0.090 28.831 28.738 0.007 0.000 1.576 238 Q HN 0.608 nan 8.270 nan 0.000 0.515 239 Q N -0.102 119.712 119.800 0.023 0.000 2.776 239 Q HA 0.211 4.551 4.340 -0.000 0.000 0.289 239 Q C -1.158 174.876 176.000 0.057 0.000 0.912 239 Q CA -0.678 55.138 55.803 0.021 0.000 0.789 239 Q CB 1.366 30.119 28.738 0.026 0.000 1.498 239 Q HN 0.356 nan 8.270 nan 0.000 0.408 240 N N -0.007 118.719 118.700 0.042 0.000 2.492 240 N HA 0.458 5.198 4.740 -0.000 0.000 0.260 240 N C -0.991 174.712 175.510 0.322 0.000 1.215 240 N CA 0.317 53.436 53.050 0.115 0.000 0.923 240 N CB 0.873 39.248 38.487 -0.188 0.000 1.092 240 N HN 0.507 nan 8.380 nan 0.000 0.448 241 A N 1.952 124.978 122.820 0.344 0.000 2.435 241 A HA 0.772 5.092 4.320 -0.000 0.000 0.304 241 A C -0.948 176.625 177.584 -0.019 0.000 1.064 241 A CA -0.618 51.547 52.037 0.214 0.000 0.727 241 A CB 1.213 20.286 19.000 0.121 0.000 1.284 241 A HN 0.578 nan 8.150 nan 0.000 0.415 242 M N 2.258 121.683 119.600 -0.292 0.000 2.271 242 M HA 0.469 4.949 4.480 -0.000 0.000 0.285 242 M C -0.956 175.225 176.300 -0.199 0.000 1.059 242 M CA -0.628 54.394 55.300 -0.462 0.000 0.940 242 M CB 2.154 34.103 32.600 -1.085 0.000 1.636 242 M HN 0.763 nan 8.290 nan 0.000 0.460 243 V N 1.195 121.034 119.914 -0.124 0.000 3.126 243 V HA 0.796 4.916 4.120 -0.000 0.000 0.314 243 V C -1.192 174.903 176.094 0.001 0.000 1.138 243 V CA -0.797 61.512 62.300 0.016 0.000 1.034 243 V CB 1.993 33.867 31.823 0.084 0.000 1.075 243 V HN 0.939 nan 8.190 nan 0.000 0.442 244 Q N 1.090 120.946 119.800 0.093 0.000 2.321 244 Q HA 0.774 5.114 4.340 -0.000 0.000 0.270 244 Q C -1.563 174.528 176.000 0.151 0.000 1.032 244 Q CA -0.691 55.156 55.803 0.074 0.000 0.784 244 Q CB 2.410 31.187 28.738 0.066 0.000 1.264 244 Q HN 0.764 nan 8.270 nan 0.000 0.448 245 I N 2.301 122.945 120.570 0.124 0.000 2.377 245 I HA 0.306 4.476 4.170 -0.000 0.000 0.293 245 I C -0.434 175.801 176.117 0.196 0.000 0.987 245 I CA -0.721 60.690 61.300 0.185 0.000 1.185 245 I CB 1.988 40.088 38.000 0.166 0.000 1.341 245 I HN 0.678 nan 8.210 nan 0.000 0.455 246 Q N 5.473 125.389 119.800 0.192 0.000 2.331 246 Q HA 0.398 4.738 4.340 -0.000 0.000 0.267 246 Q C -1.413 174.697 176.000 0.183 0.000 1.006 246 Q CA -0.677 55.242 55.803 0.192 0.000 0.818 246 Q CB 2.318 31.148 28.738 0.155 0.000 1.276 246 Q HN 0.504 nan 8.270 nan 0.000 0.450 247 V N 5.877 125.922 119.914 0.217 0.000 2.276 247 V HA -0.003 4.117 4.120 -0.000 0.000 0.249 247 V C 1.168 177.387 176.094 0.209 0.000 1.160 247 V CA 0.180 62.577 62.300 0.162 0.000 1.042 247 V CB 0.531 32.417 31.823 0.105 0.000 1.224 247 V HN 0.805 nan 8.190 nan 0.000 0.496 248 V N 6.690 126.705 119.914 0.168 0.000 2.392 248 V HA -0.027 4.093 4.120 -0.000 0.000 0.249 248 V C 0.474 176.807 176.094 0.398 0.000 1.059 248 V CA 2.304 64.744 62.300 0.233 0.000 1.051 248 V CB -0.309 31.631 31.823 0.195 0.000 0.658 248 V HN 0.865 nan 8.190 nan 0.000 0.455 249 F N -2.391 117.737 119.950 0.296 0.000 2.878 249 F HA 0.575 5.102 4.527 -0.000 0.000 0.322 249 F C -1.271 174.857 175.800 0.547 0.000 1.154 249 F CA -1.507 56.712 58.000 0.363 0.000 0.896 249 F CB 0.393 39.486 39.000 0.156 0.000 1.313 249 F HN 0.125 nan 8.300 nan 0.000 0.451 250 Y N 0.903 121.503 120.300 0.500 0.000 2.728 250 Y HA 0.888 5.438 4.550 -0.000 0.000 0.330 250 Y C -1.304 174.845 175.900 0.416 0.000 1.234 250 Y CA -2.497 55.848 58.100 0.408 0.000 1.070 250 Y CB 1.120 39.773 38.460 0.323 0.000 1.300 250 Y HN 0.940 nan 8.280 nan 0.000 0.467 251 I N 0.656 121.375 120.570 0.249 0.000 2.569 251 I HA 0.910 5.080 4.170 -0.000 0.000 0.290 251 I C -0.884 175.261 176.117 0.047 0.000 1.088 251 I CA -0.775 60.563 61.300 0.065 0.000 1.047 251 I CB 2.389 40.501 38.000 0.187 0.000 1.237 251 I HN 0.863 nan 8.210 nan 0.000 0.421 252 S N 4.970 120.649 115.700 -0.036 0.000 2.661 252 S HA 0.572 5.042 4.470 -0.000 0.000 0.285 252 S C -0.017 174.597 174.600 0.024 0.000 1.138 252 S CA -1.015 57.195 58.200 0.016 0.000 0.855 252 S CB 2.107 65.321 63.200 0.024 0.000 1.136 252 S HN 0.783 nan 8.310 nan 0.000 0.484 253 M N 1.440 121.068 119.600 0.046 0.000 2.652 253 M HA 0.223 4.703 4.480 -0.000 0.000 0.226 253 M C -0.919 175.479 176.300 0.163 0.000 1.244 253 M CA 0.077 55.442 55.300 0.108 0.000 0.986 253 M CB -0.901 31.750 32.600 0.085 0.000 1.666 253 M HN 0.504 nan 8.290 nan 0.000 0.460 254 D N 1.781 122.234 120.400 0.089 0.000 2.225 254 D HA 0.197 4.837 4.640 -0.000 0.000 0.248 254 D C 0.101 176.440 176.300 0.065 0.000 1.096 254 D CA -0.175 53.876 54.000 0.085 0.000 0.863 254 D CB 1.063 41.887 40.800 0.040 0.000 1.156 254 D HN -0.117 nan 8.370 nan 0.000 0.450 255 K N 1.444 121.887 120.400 0.073 0.000 2.484 255 K HA 0.129 4.449 4.320 -0.000 0.000 0.280 255 K C 0.728 177.353 176.600 0.042 0.000 1.013 255 K CA 0.044 56.359 56.287 0.048 0.000 1.029 255 K CB 0.193 32.714 32.500 0.035 0.000 0.902 255 K HN 0.583 nan 8.250 nan 0.000 0.481 256 T N -1.363 113.203 114.554 0.021 0.000 2.844 256 T HA 0.325 4.675 4.350 -0.000 0.000 0.274 256 T C 1.061 175.772 174.700 0.018 0.000 0.991 256 T CA -0.846 61.256 62.100 0.003 0.000 0.983 256 T CB 0.490 69.332 68.868 -0.045 0.000 1.310 256 T HN 0.190 nan 8.240 nan 0.000 0.596 257 L N 0.565 121.790 121.223 0.002 0.000 2.478 257 L HA 0.318 4.658 4.340 -0.000 0.000 0.223 257 L C 1.301 178.189 176.870 0.030 0.000 1.140 257 L CA 1.075 55.929 54.840 0.024 0.000 0.842 257 L CB -1.183 40.881 42.059 0.009 0.000 0.953 257 L HN 0.626 nan 8.230 nan 0.000 0.452 258 N N -1.419 117.283 118.700 0.005 0.000 2.279 258 N HA -0.010 4.730 4.740 -0.000 0.000 0.226 258 N C 1.402 176.920 175.510 0.014 0.000 1.126 258 N CA -0.090 52.959 53.050 -0.001 0.000 0.846 258 N CB 0.282 38.747 38.487 -0.037 0.000 1.050 258 N HN 0.453 nan 8.380 nan 0.000 0.502 259 Q N -0.344 119.484 119.800 0.047 0.000 2.172 259 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 259 Q C -0.200 175.866 176.000 0.111 0.000 0.964 259 Q CA 0.956 56.794 55.803 0.060 0.000 0.855 259 Q CB 0.002 28.776 28.738 0.060 0.000 0.918 259 Q HN 0.448 nan 8.270 nan 0.000 0.444 260 Y N 1.540 121.835 120.300 -0.008 0.000 2.421 260 Y HA 0.377 4.927 4.550 -0.000 0.000 0.339 260 Y C -2.670 173.231 175.900 0.001 0.000 0.996 260 Y CA -3.090 55.007 58.100 -0.004 0.000 1.046 260 Y CB 1.807 40.267 38.460 0.001 0.000 1.226 260 Y HN -0.078 nan 8.280 nan 0.000 0.445 261 P HA -0.063 nan 4.420 nan 0.000 0.257 261 P C 0.165 177.453 177.300 -0.020 0.000 1.153 261 P CA 1.735 64.680 63.100 -0.258 0.000 0.762 261 P CB 0.213 31.663 31.700 -0.415 0.000 0.743 262 A N 3.020 125.852 122.820 0.020 0.000 2.715 262 A HA -0.236 4.084 4.320 -0.000 0.000 0.301 262 A C 1.445 179.114 177.584 0.140 0.000 1.515 262 A CA 0.935 53.012 52.037 0.066 0.000 0.816 262 A CB -2.262 16.767 19.000 0.049 0.000 1.004 262 A HN 0.663 nan 8.150 nan 0.000 0.483 263 L N -1.155 120.181 121.223 0.188 0.000 2.081 263 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 263 L C 2.639 179.598 176.870 0.149 0.000 1.080 263 L CA 2.481 57.442 54.840 0.202 0.000 0.754 263 L CB -0.536 41.634 42.059 0.185 0.000 0.893 263 L HN 0.755 nan 8.230 nan 0.000 0.433 264 T N -0.044 114.579 114.554 0.116 0.000 2.544 264 T HA -0.318 4.032 4.350 -0.000 0.000 0.264 264 T C 1.863 176.656 174.700 0.155 0.000 1.096 264 T CA 1.714 63.878 62.100 0.106 0.000 1.181 264 T CB -0.640 68.258 68.868 0.050 0.000 0.864 264 T HN 0.552 nan 8.240 nan 0.000 0.415 265 A N 1.730 124.629 122.820 0.132 0.000 1.948 265 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 265 A C 2.334 180.072 177.584 0.256 0.000 1.177 265 A CA 1.648 53.796 52.037 0.186 0.000 0.636 265 A CB -0.539 18.533 19.000 0.120 0.000 0.815 265 A HN 0.443 nan 8.150 nan 0.000 0.449 266 E N -0.024 120.294 120.200 0.196 0.000 2.031 266 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 266 E C 2.013 178.729 176.600 0.193 0.000 0.994 266 E CA 1.324 57.827 56.400 0.172 0.000 0.800 266 E CB -0.509 29.275 29.700 0.140 0.000 0.752 266 E HN 0.746 nan 8.360 nan 0.000 0.447 267 I N 0.675 121.379 120.570 0.224 0.000 2.163 267 I HA -0.284 3.885 4.170 -0.000 0.000 0.243 267 I C 2.416 178.770 176.117 0.394 0.000 1.085 267 I CA 1.116 62.594 61.300 0.297 0.000 1.347 267 I CB -0.361 37.818 38.000 0.299 0.000 1.044 267 I HN -0.005 nan 8.210 nan 0.000 0.408 268 F N 2.020 122.096 119.950 0.209 0.000 2.091 268 F HA -0.335 4.192 4.527 -0.000 0.000 0.299 268 F C 2.356 178.286 175.800 0.217 0.000 1.103 268 F CA 2.167 60.286 58.000 0.198 0.000 1.228 268 F CB -0.737 38.334 39.000 0.119 0.000 0.984 268 F HN 0.135 nan 8.300 nan 0.000 0.477 269 N N 0.368 119.136 118.700 0.113 0.000 2.104 269 N HA -0.172 4.568 4.740 -0.000 0.000 0.190 269 N C 1.797 177.335 175.510 0.046 0.000 1.024 269 N CA 2.106 55.152 53.050 -0.006 0.000 0.853 269 N CB -0.061 38.477 38.487 0.086 0.000 1.008 269 N HN 0.306 nan 8.380 nan 0.000 0.424 270 V N -0.019 119.961 119.914 0.110 0.000 2.307 270 V HA -0.176 3.944 4.120 -0.000 0.000 0.245 270 V C 1.567 177.689 176.094 0.046 0.000 1.045 270 V CA 1.366 63.727 62.300 0.100 0.000 1.024 270 V CB -1.087 30.703 31.823 -0.055 0.000 0.651 270 V HN 0.269 nan 8.190 nan 0.000 0.449 271 Y N 0.759 121.125 120.300 0.110 0.000 2.578 271 Y HA 0.136 4.686 4.550 -0.000 0.000 0.297 271 Y C 1.689 177.697 175.900 0.181 0.000 1.176 271 Y CA -0.013 58.169 58.100 0.137 0.000 1.315 271 Y CB -0.319 38.214 38.460 0.121 0.000 1.031 271 Y HN 0.144 nan 8.280 nan 0.000 0.524 272 S N 0.215 116.008 115.700 0.155 0.000 2.592 272 S HA -0.001 4.469 4.470 -0.000 0.000 0.271 272 S C 0.885 175.723 174.600 0.397 0.000 1.326 272 S CA -0.674 57.581 58.200 0.091 0.000 1.024 272 S CB 0.547 63.580 63.200 -0.279 0.000 0.921 272 S HN 0.307 nan 8.310 nan 0.000 0.527 273 F N 2.652 122.754 119.950 0.252 0.000 2.039 273 F HA -0.043 4.484 4.527 -0.000 0.000 0.294 273 F C 1.929 177.868 175.800 0.232 0.000 1.130 273 F CA 1.857 59.995 58.000 0.231 0.000 1.189 273 F CB -0.170 38.895 39.000 0.108 0.000 0.983 273 F HN 0.750 nan 8.300 nan 0.000 0.471 274 R N -0.462 119.979 120.500 -0.098 0.000 1.254 274 R HA -0.300 4.040 4.340 -0.000 0.000 0.021 274 R C -0.572 175.392 176.300 -0.559 0.000 0.960 274 R CA 1.958 57.905 56.100 -0.255 0.000 1.975 274 R CB -2.139 27.965 30.300 -0.327 0.000 0.151 274 R HN 0.578 nan 8.270 nan 0.000 0.730 275 D N -2.166 117.680 120.400 -0.923 0.000 2.665 275 D HA 0.265 4.905 4.640 -0.000 0.000 0.287 275 D C 0.176 175.879 176.300 -0.996 0.000 1.266 275 D CA -0.408 52.987 54.000 -1.009 0.000 0.830 275 D CB -0.002 40.639 40.800 -0.266 0.000 1.356 275 D HN 0.266 nan 8.370 nan 0.000 0.437 276 H N -0.760 118.101 119.070 -0.348 0.000 2.319 276 H HA -0.080 4.476 4.556 -0.000 0.000 0.297 276 H C 1.490 176.747 175.328 -0.119 0.000 1.097 276 H CA 2.798 58.806 56.048 -0.066 0.000 1.285 276 H CB -0.292 29.493 29.762 0.040 0.000 1.368 276 H HN 0.498 nan 8.280 nan 0.000 0.495 277 T N 0.588 115.121 114.554 -0.035 0.000 2.684 277 T HA -0.263 4.087 4.350 -0.000 0.000 0.267 277 T C 1.783 176.356 174.700 -0.211 0.000 1.036 277 T CA 1.396 63.396 62.100 -0.165 0.000 1.148 277 T CB -0.505 68.241 68.868 -0.202 0.000 0.863 277 T HN 0.569 nan 8.240 nan 0.000 0.436 278 W N 1.656 122.662 121.300 -0.491 0.000 2.380 278 W HA -0.240 4.420 4.660 -0.000 0.000 0.317 278 W C 2.362 178.657 176.519 -0.375 0.000 1.196 278 W CA 1.605 58.540 57.345 -0.682 0.000 1.307 278 W CB -0.740 28.146 29.460 -0.957 0.000 1.157 278 W HN 0.376 nan 8.180 nan 0.000 0.483 279 H N -0.124 118.617 119.070 -0.548 0.000 2.267 279 H HA -0.215 4.341 4.556 -0.000 0.000 0.291 279 H C 2.428 177.494 175.328 -0.436 0.000 1.094 279 H CA 3.510 59.273 56.048 -0.476 0.000 1.227 279 H CB -0.926 28.746 29.762 -0.149 0.000 1.351 279 H HN 0.185 nan 8.280 nan 0.000 0.483 280 G N 1.068 109.745 108.800 -0.205 0.000 2.440 280 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 280 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 280 G C 1.829 176.544 174.900 -0.308 0.000 1.154 280 G CA 0.803 45.779 45.100 -0.207 0.000 0.767 280 G HN 0.438 nan 8.290 nan 0.000 0.552 281 L N 0.441 121.439 121.223 -0.374 0.000 1.961 281 L HA -0.048 4.292 4.340 -0.000 0.000 0.210 281 L C 2.842 179.406 176.870 -0.511 0.000 1.072 281 L CA 2.076 56.708 54.840 -0.348 0.000 0.749 281 L CB -0.607 41.303 42.059 -0.249 0.000 0.889 281 L HN 0.245 nan 8.230 nan 0.000 0.432 282 R N -0.446 119.487 120.500 -0.944 0.000 2.119 282 R HA -0.199 4.141 4.340 -0.000 0.000 0.246 282 R C 1.914 177.873 176.300 -0.568 0.000 1.146 282 R CA 2.382 57.916 56.100 -0.943 0.000 0.962 282 R CB -0.586 28.882 30.300 -1.387 0.000 0.863 282 R HN 0.453 nan 8.270 nan 0.000 0.442 283 T N 0.865 115.094 114.554 -0.542 0.000 2.668 283 T HA -0.070 4.280 4.350 -0.000 0.000 0.262 283 T C 1.918 176.472 174.700 -0.244 0.000 1.045 283 T CA 1.640 63.515 62.100 -0.375 0.000 1.152 283 T CB -0.475 68.158 68.868 -0.391 0.000 0.864 283 T HN 0.466 nan 8.240 nan 0.000 0.419 284 A N 0.945 123.634 122.820 -0.219 0.000 1.986 284 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 284 A C 2.271 179.788 177.584 -0.111 0.000 1.171 284 A CA 1.350 53.309 52.037 -0.130 0.000 0.640 284 A CB -0.871 18.069 19.000 -0.100 0.000 0.811 284 A HN 0.564 nan 8.150 nan 0.000 0.451 285 I N -1.519 118.958 120.570 -0.156 0.000 2.235 285 I HA -0.170 4.000 4.170 -0.000 0.000 0.241 285 I C 2.556 178.607 176.117 -0.110 0.000 1.085 285 I CA 0.992 62.219 61.300 -0.121 0.000 1.378 285 I CB -0.411 37.499 38.000 -0.151 0.000 1.076 285 I HN 0.227 nan 8.210 nan 0.000 0.415 286 R N 1.067 121.478 120.500 -0.149 0.000 2.249 286 R HA -0.127 4.213 4.340 -0.000 0.000 0.230 286 R C 1.606 177.865 176.300 -0.069 0.000 1.121 286 R CA 0.849 56.880 56.100 -0.115 0.000 0.997 286 R CB -0.422 29.788 30.300 -0.150 0.000 0.867 286 R HN 0.425 nan 8.270 nan 0.000 0.465 287 N N 0.398 119.057 118.700 -0.069 0.000 2.459 287 N HA -0.087 4.653 4.740 -0.000 0.000 0.181 287 N C 1.157 176.651 175.510 -0.027 0.000 1.046 287 N CA 0.843 53.868 53.050 -0.042 0.000 0.904 287 N CB 0.063 38.524 38.487 -0.043 0.000 0.964 287 N HN 0.010 nan 8.380 nan 0.000 0.444 288 R N -0.119 120.363 120.500 -0.031 0.000 2.300 288 R HA 0.131 4.471 4.340 -0.000 0.000 0.199 288 R C 0.658 176.948 176.300 -0.017 0.000 0.920 288 R CA 0.198 56.285 56.100 -0.021 0.000 1.046 288 R CB -0.264 30.024 30.300 -0.020 0.000 0.984 288 R HN 0.313 nan 8.270 nan 0.000 0.493 289 T N -4.216 110.326 114.554 -0.020 0.000 2.919 289 T HA 0.207 4.557 4.350 -0.000 0.000 0.282 289 T C 1.163 175.864 174.700 0.002 0.000 1.020 289 T CA -0.243 61.850 62.100 -0.012 0.000 0.994 289 T CB 1.606 70.462 68.868 -0.019 0.000 1.180 289 T HN 0.103 nan 8.240 nan 0.000 0.566 290 T N -0.915 113.645 114.554 0.011 0.000 3.148 290 T HA 0.242 4.592 4.350 -0.000 0.000 0.253 290 T C 0.428 175.153 174.700 0.043 0.000 1.134 290 T CA -0.242 61.873 62.100 0.025 0.000 1.051 290 T CB -0.432 68.451 68.868 0.026 0.000 0.959 290 T HN 0.276 nan 8.240 nan 0.000 0.525 291 L N 3.065 124.312 121.223 0.041 0.000 2.357 291 L HA 0.457 4.797 4.340 -0.000 0.000 0.273 291 L C -2.130 174.793 176.870 0.088 0.000 1.080 291 L CA -2.703 52.182 54.840 0.076 0.000 0.803 291 L CB 0.802 42.902 42.059 0.068 0.000 1.174 291 L HN -0.012 nan 8.230 nan 0.000 0.443 292 P HA 0.038 nan 4.420 nan 0.000 0.264 292 P C 0.085 177.506 177.300 0.201 0.000 1.229 292 P CA -0.203 62.992 63.100 0.158 0.000 0.780 292 P CB 0.198 31.992 31.700 0.157 0.000 0.808 293 N N 4.711 123.463 118.700 0.087 0.000 2.322 293 N HA -0.225 4.515 4.740 -0.000 0.000 0.189 293 N C 0.986 176.509 175.510 0.022 0.000 1.012 293 N CA 1.959 55.011 53.050 0.004 0.000 0.880 293 N CB -0.788 37.674 38.487 -0.042 0.000 0.967 293 N HN 0.578 nan 8.380 nan 0.000 0.439 294 M N -3.460 116.272 119.600 0.219 0.000 2.722 294 M HA 0.398 4.878 4.480 -0.000 0.000 0.451 294 M C -1.030 175.588 176.300 0.531 0.000 1.225 294 M CA -0.278 55.232 55.300 0.349 0.000 0.874 294 M CB 0.754 33.457 32.600 0.171 0.000 1.736 294 M HN -0.146 nan 8.290 nan 0.000 0.584 295 L N 2.322 123.759 121.223 0.357 0.000 2.476 295 L HA 0.615 4.955 4.340 -0.000 0.000 0.269 295 L C -2.564 173.964 176.870 -0.570 0.000 0.965 295 L CA -1.647 53.131 54.840 -0.104 0.000 0.845 295 L CB 2.756 44.802 42.059 -0.022 0.000 1.259 295 L HN -0.148 nan 8.230 nan 0.000 0.403 296 P HA -0.060 nan 4.420 nan 0.000 0.255 296 P C -2.219 174.877 177.300 -0.341 0.000 1.151 296 P CA -0.365 62.194 63.100 -0.902 0.000 0.767 296 P CB -0.300 31.092 31.700 -0.513 0.000 0.736 297 P HA -0.034 nan 4.420 nan 0.000 0.264 297 P C 0.633 177.877 177.300 -0.094 0.000 1.183 297 P CA 0.204 63.282 63.100 -0.037 0.000 0.763 297 P CB 0.662 32.407 31.700 0.074 0.000 0.807 298 I N 2.331 122.796 120.570 -0.175 0.000 2.286 298 I HA -0.141 4.029 4.170 -0.000 0.000 0.248 298 I C 1.096 176.917 176.117 -0.492 0.000 1.115 298 I CA 1.487 62.549 61.300 -0.397 0.000 1.392 298 I CB -0.757 36.858 38.000 -0.640 0.000 1.065 298 I HN 0.208 nan 8.210 nan 0.000 0.418 299 F N 2.584 122.574 119.950 0.067 0.000 2.402 299 F HA 0.407 4.934 4.527 -0.000 0.000 0.355 299 F C -1.952 173.884 175.800 0.060 0.000 1.123 299 F CA -3.446 54.600 58.000 0.076 0.000 1.021 299 F CB 0.083 39.124 39.000 0.070 0.000 1.160 299 F HN -0.162 nan 8.300 nan 0.000 0.451 300 P HA 0.085 nan 4.420 nan 0.000 0.264 300 P C -2.490 174.889 177.300 0.132 0.000 1.193 300 P CA -0.708 62.477 63.100 0.141 0.000 0.763 300 P CB 0.264 32.029 31.700 0.109 0.000 0.810 301 P HA 0.021 nan 4.420 nan 0.000 0.278 301 P C 0.719 178.044 177.300 0.042 0.000 1.270 301 P CA 0.152 63.293 63.100 0.069 0.000 0.800 301 P CB 0.307 32.036 31.700 0.049 0.000 1.142 302 N N -1.793 116.916 118.700 0.015 0.000 1.938 302 N HA 0.005 4.745 4.740 -0.000 0.000 0.225 302 N C -1.127 174.353 175.510 -0.050 0.000 1.400 302 N CA -0.125 52.916 53.050 -0.016 0.000 0.772 302 N CB 0.297 38.781 38.487 -0.006 0.000 1.124 302 N HN 0.391 nan 8.380 nan 0.000 0.513 303 D N 0.850 121.229 120.400 -0.035 0.000 2.198 303 D HA 0.196 4.836 4.640 -0.000 0.000 0.247 303 D C 0.906 177.174 176.300 -0.053 0.000 1.010 303 D CA -0.587 53.384 54.000 -0.049 0.000 0.880 303 D CB 2.944 43.726 40.800 -0.030 0.000 1.209 303 D HN -0.081 nan 8.370 nan 0.000 0.451 304 R N 1.327 121.789 120.500 -0.063 0.000 2.143 304 R HA -0.225 4.115 4.340 -0.000 0.000 0.239 304 R C 1.043 177.307 176.300 -0.060 0.000 1.126 304 R CA 2.329 58.391 56.100 -0.065 0.000 0.927 304 R CB -0.341 29.922 30.300 -0.061 0.000 0.860 304 R HN 0.529 nan 8.270 nan 0.000 0.433 305 D N -0.031 120.341 120.400 -0.048 0.000 2.170 305 D HA -0.195 4.445 4.640 -0.000 0.000 0.193 305 D C 1.976 178.251 176.300 -0.041 0.000 1.004 305 D CA 1.825 55.800 54.000 -0.041 0.000 0.860 305 D CB -0.385 40.397 40.800 -0.030 0.000 0.931 305 D HN 0.273 nan 8.370 nan 0.000 0.448 306 S N 0.477 116.157 115.700 -0.033 0.000 2.344 306 S HA -0.108 4.362 4.470 -0.000 0.000 0.217 306 S C 2.142 176.717 174.600 -0.042 0.000 1.033 306 S CA 0.516 58.702 58.200 -0.024 0.000 1.017 306 S CB -0.115 63.084 63.200 -0.003 0.000 0.941 306 S HN 0.177 nan 8.310 nan 0.000 0.430 307 I N 1.979 122.512 120.570 -0.062 0.000 2.091 307 I HA -0.196 3.974 4.170 -0.000 0.000 0.239 307 I C 2.358 178.387 176.117 -0.148 0.000 1.061 307 I CA 1.303 62.535 61.300 -0.113 0.000 1.317 307 I CB -1.676 36.236 38.000 -0.147 0.000 1.031 307 I HN 0.289 nan 8.210 nan 0.000 0.401 308 L N 0.514 121.659 121.223 -0.130 0.000 1.963 308 L HA -0.332 4.008 4.340 -0.000 0.000 0.220 308 L C 2.694 179.511 176.870 -0.088 0.000 1.076 308 L CA 2.529 57.300 54.840 -0.116 0.000 0.772 308 L CB -0.566 41.443 42.059 -0.082 0.000 0.892 308 L HN 0.295 nan 8.230 nan 0.000 0.435 309 T N 0.558 115.073 114.554 -0.065 0.000 2.624 309 T HA -0.287 4.062 4.350 -0.000 0.000 0.268 309 T C 1.880 176.551 174.700 -0.048 0.000 1.041 309 T CA 1.967 64.037 62.100 -0.050 0.000 1.159 309 T CB -0.483 68.359 68.868 -0.044 0.000 0.863 309 T HN 0.272 nan 8.240 nan 0.000 0.434 310 L N 0.208 121.400 121.223 -0.052 0.000 2.013 310 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 310 L C 2.532 179.385 176.870 -0.028 0.000 1.073 310 L CA 1.369 56.187 54.840 -0.038 0.000 0.753 310 L CB -0.610 41.434 42.059 -0.025 0.000 0.890 310 L HN 0.276 nan 8.230 nan 0.000 0.432 311 L N -1.388 119.797 121.223 -0.064 0.000 1.994 311 L HA -0.261 4.079 4.340 -0.000 0.000 0.208 311 L C 2.507 179.368 176.870 -0.015 0.000 1.071 311 L CA 0.895 55.703 54.840 -0.053 0.000 0.745 311 L CB -0.570 41.418 42.059 -0.119 0.000 0.892 311 L HN 0.203 nan 8.230 nan 0.000 0.431 312 L N -0.507 120.702 121.223 -0.024 0.000 2.043 312 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 312 L C 2.393 179.275 176.870 0.020 0.000 1.075 312 L CA 1.743 56.577 54.840 -0.009 0.000 0.752 312 L CB -0.905 41.142 42.059 -0.020 0.000 0.891 312 L HN 0.190 nan 8.230 nan 0.000 0.432 313 L N -1.639 119.603 121.223 0.032 0.000 2.027 313 L HA -0.220 4.120 4.340 -0.000 0.000 0.206 313 L C 2.707 179.666 176.870 0.148 0.000 1.074 313 L CA 1.454 56.354 54.840 0.100 0.000 0.745 313 L CB -0.339 41.748 42.059 0.047 0.000 0.898 313 L HN 0.335 nan 8.230 nan 0.000 0.433 314 S N -1.036 114.716 115.700 0.086 0.000 2.387 314 S HA -0.214 4.256 4.470 -0.000 0.000 0.230 314 S C 1.856 176.483 174.600 0.045 0.000 1.035 314 S CA 2.167 60.413 58.200 0.077 0.000 1.014 314 S CB -0.174 63.065 63.200 0.065 0.000 0.836 314 S HN 0.492 nan 8.310 nan 0.000 0.466 315 T N 2.273 116.849 114.554 0.037 0.000 2.732 315 T HA 0.021 4.371 4.350 -0.000 0.000 0.261 315 T C 1.701 176.407 174.700 0.010 0.000 1.040 315 T CA 1.240 63.351 62.100 0.018 0.000 1.145 315 T CB -0.565 68.311 68.868 0.013 0.000 0.866 315 T HN 0.342 nan 8.240 nan 0.000 0.427 316 L N 1.425 122.668 121.223 0.034 0.000 2.189 316 L HA -0.033 4.307 4.340 -0.000 0.000 0.214 316 L C 2.452 179.361 176.870 0.065 0.000 1.097 316 L CA 1.561 56.431 54.840 0.050 0.000 0.764 316 L CB -0.790 41.330 42.059 0.103 0.000 0.900 316 L HN 0.236 nan 8.230 nan 0.000 0.436 317 A N -0.662 122.119 122.820 -0.065 0.000 1.855 317 A HA -0.203 4.117 4.320 -0.000 0.000 0.215 317 A C 2.001 179.406 177.584 -0.299 0.000 1.191 317 A CA 1.805 53.524 52.037 -0.529 0.000 0.613 317 A CB -0.804 17.972 19.000 -0.373 0.000 0.829 317 A HN 0.533 nan 8.150 nan 0.000 0.442 318 D N -0.015 120.309 120.400 -0.128 0.000 2.123 318 D HA -0.121 4.519 4.640 -0.000 0.000 0.196 318 D C 2.081 178.370 176.300 -0.019 0.000 0.992 318 D CA 1.552 55.510 54.000 -0.070 0.000 0.833 318 D CB -0.584 40.197 40.800 -0.032 0.000 0.954 318 D HN 0.222 nan 8.370 nan 0.000 0.455 319 V N 0.850 120.780 119.914 0.026 0.000 2.332 319 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 319 V C 2.249 178.470 176.094 0.211 0.000 1.055 319 V CA 1.475 63.826 62.300 0.085 0.000 1.038 319 V CB -0.742 31.109 31.823 0.047 0.000 0.651 319 V HN 0.173 nan 8.190 nan 0.000 0.450 320 Y N 1.516 121.917 120.300 0.167 0.000 2.145 320 Y HA -0.281 4.269 4.550 -0.000 0.000 0.286 320 Y C 2.667 178.487 175.900 -0.133 0.000 1.145 320 Y CA 2.375 60.516 58.100 0.068 0.000 1.148 320 Y CB -0.598 37.747 38.460 -0.191 0.000 0.981 320 Y HN 0.263 nan 8.280 nan 0.000 0.507 321 T N 0.538 115.066 114.554 -0.043 0.000 2.580 321 T HA -0.271 4.079 4.350 -0.000 0.000 0.265 321 T C 2.063 176.681 174.700 -0.137 0.000 1.063 321 T CA 2.773 64.811 62.100 -0.104 0.000 1.170 321 T CB -1.240 67.583 68.868 -0.076 0.000 0.863 321 T HN 0.417 nan 8.240 nan 0.000 0.418 322 V N 1.024 120.887 119.914 -0.085 0.000 2.324 322 V HA -0.139 3.981 4.120 -0.000 0.000 0.250 322 V C 2.352 178.386 176.094 -0.101 0.000 1.060 322 V CA 1.735 63.989 62.300 -0.076 0.000 1.042 322 V CB -1.294 30.503 31.823 -0.044 0.000 0.650 322 V HN 0.470 nan 8.190 nan 0.000 0.450 323 L N -0.441 120.714 121.223 -0.113 0.000 2.313 323 L HA 0.143 4.483 4.340 -0.000 0.000 0.214 323 L C 1.435 178.162 176.870 -0.238 0.000 1.119 323 L CA 0.705 55.464 54.840 -0.136 0.000 0.809 323 L CB -0.503 41.523 42.059 -0.055 0.000 0.933 323 L HN 0.413 nan 8.230 nan 0.000 0.449 324 R N -1.521 118.759 120.500 -0.366 0.000 3.416 324 R HA -0.127 4.213 4.340 -0.000 0.000 0.263 324 R C -2.230 173.814 176.300 -0.426 0.000 1.053 324 R CA 0.098 55.947 56.100 -0.418 0.000 0.705 324 R CB -2.440 27.723 30.300 -0.230 0.000 1.124 324 R HN 0.343 nan 8.270 nan 0.000 0.444 325 P HA 0.079 nan 4.420 nan 0.000 0.269 325 P C -0.394 176.847 177.300 -0.099 0.000 1.215 325 P CA 0.435 63.318 63.100 -0.363 0.000 0.780 325 P CB 0.711 32.066 31.700 -0.576 0.000 0.898 326 E N 1.632 121.893 120.200 0.101 0.000 2.279 326 E HA 0.446 4.796 4.350 -0.000 0.000 0.252 326 E C -0.908 175.905 176.600 0.356 0.000 0.894 326 E CA -0.412 56.078 56.400 0.149 0.000 0.785 326 E CB 0.835 30.560 29.700 0.041 0.000 1.237 326 E HN 0.403 nan 8.360 nan 0.000 0.418 327 F N 0.265 120.250 119.950 0.058 0.000 2.686 327 F HA 0.787 5.314 4.527 -0.000 0.000 0.311 327 F C -1.019 174.831 175.800 0.082 0.000 1.128 327 F CA -1.567 56.502 58.000 0.115 0.000 0.946 327 F CB 0.429 39.584 39.000 0.258 0.000 1.336 327 F HN 0.276 nan 8.300 nan 0.000 0.457 328 A N 2.177 125.074 122.820 0.127 0.000 2.322 328 A HA 0.773 5.093 4.320 -0.000 0.000 0.269 328 A C -0.735 176.807 177.584 -0.070 0.000 1.094 328 A CA -0.534 51.498 52.037 -0.008 0.000 0.807 328 A CB 0.788 19.813 19.000 0.041 0.000 1.047 328 A HN 0.932 nan 8.150 nan 0.000 0.487 329 M N 1.910 121.432 119.600 -0.131 0.000 2.277 329 M HA 0.264 4.744 4.480 -0.000 0.000 0.282 329 M C -1.249 174.993 176.300 -0.097 0.000 1.074 329 M CA -0.579 54.624 55.300 -0.162 0.000 0.954 329 M CB 1.452 33.961 32.600 -0.152 0.000 1.672 329 M HN 0.883 nan 8.290 nan 0.000 0.471 330 H N 2.395 121.474 119.070 0.015 0.000 3.125 330 H HA 0.126 4.682 4.556 -0.000 0.000 0.310 330 H C 1.230 176.554 175.328 -0.006 0.000 0.980 330 H CA 1.788 57.839 56.048 0.006 0.000 1.422 330 H CB 0.219 29.987 29.762 0.010 0.000 1.432 330 H HN 1.000 nan 8.280 nan 0.000 0.577 331 G N 2.399 111.271 108.800 0.120 0.000 2.179 331 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 331 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 331 G C -0.002 174.914 174.900 0.026 0.000 0.977 331 G CA 0.302 45.435 45.100 0.056 0.000 0.641 331 G HN 0.574 nan 8.290 nan 0.000 0.533 332 V N 0.922 120.844 119.914 0.013 0.000 2.459 332 V HA 0.576 4.696 4.120 -0.000 0.000 0.295 332 V C 0.028 176.099 176.094 -0.038 0.000 1.029 332 V CA -0.956 61.337 62.300 -0.013 0.000 0.874 332 V CB 1.889 33.693 31.823 -0.032 0.000 0.985 332 V HN 0.305 nan 8.190 nan 0.000 0.438 333 N N 4.288 122.940 118.700 -0.079 0.000 2.573 333 N HA 0.397 5.137 4.740 -0.000 0.000 0.262 333 N C -2.791 172.582 175.510 -0.228 0.000 1.029 333 N CA -1.119 51.862 53.050 -0.114 0.000 0.882 333 N CB 2.452 40.883 38.487 -0.094 0.000 1.204 333 N HN 0.437 nan 8.380 nan 0.000 0.519 334 P HA 0.085 nan 4.420 nan 0.000 0.264 334 P C -0.160 177.066 177.300 -0.124 0.000 1.229 334 P CA -0.011 63.008 63.100 -0.136 0.000 0.780 334 P CB 0.371 32.053 31.700 -0.029 0.000 0.808 335 M N 6.279 125.776 119.600 -0.172 0.000 2.135 335 M HA 0.204 4.684 4.480 -0.000 0.000 0.345 335 M C -1.804 174.534 176.300 0.063 0.000 1.340 335 M CA -1.937 53.337 55.300 -0.044 0.000 1.162 335 M CB -0.233 32.355 32.600 -0.020 0.000 1.570 335 M HN 0.229 nan 8.290 nan 0.000 0.454 336 P HA -0.229 nan 4.420 nan 0.000 0.296 336 P C 0.460 177.798 177.300 0.063 0.000 1.914 336 P CA 1.844 64.970 63.100 0.042 0.000 1.724 336 P CB -0.106 31.614 31.700 0.033 0.000 0.309 337 G N -3.094 105.736 108.800 0.051 0.000 3.839 337 G HA2 0.325 4.285 3.960 -0.000 0.000 0.286 337 G HA3 0.325 4.285 3.960 -0.000 0.000 0.286 337 G C -1.524 173.407 174.900 0.051 0.000 1.005 337 G CA 0.016 45.146 45.100 0.050 0.000 0.824 337 G HN 0.382 nan 8.290 nan 0.000 0.489 338 P HA 0.209 nan 4.420 nan 0.000 0.212 338 P C -0.214 177.126 177.300 0.065 0.000 1.179 338 P CA -0.011 63.120 63.100 0.052 0.000 0.898 338 P CB 0.435 32.164 31.700 0.048 0.000 0.775 339 L N 0.171 121.447 121.223 0.088 0.000 2.883 339 L HA -0.118 4.222 4.340 -0.000 0.000 0.559 339 L C 0.100 177.019 176.870 0.081 0.000 1.001 339 L CA 0.881 55.786 54.840 0.108 0.000 1.291 339 L CB -2.553 39.583 42.059 0.129 0.000 1.557 339 L HN 0.324 nan 8.230 nan 0.000 0.761 340 T N -0.471 114.121 114.554 0.064 0.000 2.924 340 T HA 0.845 5.195 4.350 -0.000 0.000 0.291 340 T C 1.207 175.919 174.700 0.021 0.000 1.045 340 T CA -0.372 61.753 62.100 0.041 0.000 1.015 340 T CB 1.957 70.842 68.868 0.028 0.000 1.103 340 T HN 0.855 nan 8.240 nan 0.000 0.496 341 A N 1.207 124.040 122.820 0.021 0.000 1.958 341 A HA 0.041 4.361 4.320 -0.000 0.000 0.221 341 A C 2.516 180.083 177.584 -0.029 0.000 1.178 341 A CA 2.390 54.431 52.037 0.007 0.000 0.642 341 A CB -1.532 17.478 19.000 0.016 0.000 0.816 341 A HN 1.325 nan 8.150 nan 0.000 0.453 342 A N 0.067 122.874 122.820 -0.022 0.000 1.858 342 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 342 A C 2.094 179.640 177.584 -0.064 0.000 1.190 342 A CA 1.536 53.554 52.037 -0.032 0.000 0.617 342 A CB -0.673 18.320 19.000 -0.013 0.000 0.827 342 A HN 0.527 nan 8.150 nan 0.000 0.443 343 I N -0.028 120.507 120.570 -0.058 0.000 2.335 343 I HA -0.292 3.878 4.170 -0.000 0.000 0.251 343 I C 2.862 178.802 176.117 -0.294 0.000 1.129 343 I CA 1.046 62.297 61.300 -0.081 0.000 1.402 343 I CB -0.386 37.623 38.000 0.014 0.000 1.069 343 I HN 0.359 nan 8.210 nan 0.000 0.424 344 A N 0.924 123.508 122.820 -0.393 0.000 1.930 344 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 344 A C 2.358 179.681 177.584 -0.435 0.000 1.175 344 A CA 1.685 53.227 52.037 -0.824 0.000 0.627 344 A CB -0.476 18.276 19.000 -0.415 0.000 0.815 344 A HN 0.295 nan 8.150 nan 0.000 0.443 345 R N 0.401 120.797 120.500 -0.173 0.000 2.080 345 R HA -0.064 4.276 4.340 -0.000 0.000 0.236 345 R C 2.113 178.396 176.300 -0.028 0.000 1.137 345 R CA 2.089 58.163 56.100 -0.044 0.000 0.943 345 R CB -0.929 29.343 30.300 -0.046 0.000 0.846 345 R HN 0.367 nan 8.270 nan 0.000 0.431 346 A N 0.082 122.847 122.820 -0.091 0.000 2.076 346 A HA -0.032 4.288 4.320 -0.000 0.000 0.220 346 A C 2.293 179.814 177.584 -0.104 0.000 1.160 346 A CA 1.667 53.664 52.037 -0.067 0.000 0.653 346 A CB -0.886 18.085 19.000 -0.049 0.000 0.801 346 A HN 0.524 nan 8.150 nan 0.000 0.455 347 A N -1.420 121.228 122.820 -0.286 0.000 1.969 347 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 347 A C 1.135 178.502 177.584 -0.360 0.000 1.169 347 A CA 0.635 52.400 52.037 -0.453 0.000 0.635 347 A CB -0.611 17.746 19.000 -1.071 0.000 0.810 347 A HN 0.531 nan 8.150 nan 0.000 0.445 348 Y N 0.872 121.080 120.300 -0.153 0.000 3.028 348 Y HA 0.329 4.879 4.550 -0.000 0.000 0.381 348 Y C 0.837 176.762 175.900 0.041 0.000 1.139 348 Y CA -0.085 58.036 58.100 0.036 0.000 2.013 348 Y CB -1.260 37.214 38.460 0.023 0.000 2.146 348 Y HN 0.066 nan 8.280 nan 0.000 0.412 349 V N 0.000 119.987 119.914 0.122 0.000 2.409 349 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 349 V CA 0.000 62.352 62.300 0.086 0.000 1.235 349 V CB 0.000 31.875 31.823 0.087 0.000 1.184 349 V HN 0.000 nan 8.190 nan 0.000 0.556