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_D 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 0.000 176.252 176.300 -0.080 0.000 1.140 1 M CA 0.000 55.267 55.300 -0.054 0.000 0.988 1 M CB 0.000 32.575 32.600 -0.041 0.000 1.302 2 D N 0.396 120.741 120.400 -0.091 0.000 2.149 2 D HA -0.040 4.600 4.640 -0.000 0.000 0.201 2 D C 1.738 177.912 176.300 -0.209 0.000 0.972 2 D CA 2.435 56.362 54.000 -0.121 0.000 0.835 2 D CB -0.307 40.434 40.800 -0.099 0.000 0.966 2 D HN 0.710 nan 8.370 nan 0.000 0.476 3 T N -0.782 113.630 114.554 -0.237 0.000 2.759 3 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 3 T C 2.222 176.726 174.700 -0.328 0.000 1.042 3 T CA 0.791 62.651 62.100 -0.399 0.000 1.140 3 T CB -0.568 68.165 68.868 -0.226 0.000 0.864 3 T HN 0.150 nan 8.240 nan 0.000 0.455 4 I N 1.883 122.349 120.570 -0.173 0.000 2.202 4 I HA -0.073 4.097 4.170 -0.000 0.000 0.242 4 I C 3.243 179.296 176.117 -0.107 0.000 1.091 4 I CA 1.202 62.439 61.300 -0.106 0.000 1.368 4 I CB -0.644 37.319 38.000 -0.062 0.000 1.058 4 I HN 0.341 nan 8.210 nan 0.000 0.410 5 A N 0.721 123.471 122.820 -0.116 0.000 1.902 5 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 5 A C 2.523 180.043 177.584 -0.106 0.000 1.181 5 A CA 1.893 53.873 52.037 -0.096 0.000 0.623 5 A CB -0.827 18.120 19.000 -0.089 0.000 0.818 5 A HN 0.441 nan 8.150 nan 0.000 0.443 6 A N -0.231 122.480 122.820 -0.182 0.000 1.898 6 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 6 A C 2.233 179.775 177.584 -0.071 0.000 1.181 6 A CA 1.472 53.408 52.037 -0.169 0.000 0.620 6 A CB -0.450 18.317 19.000 -0.390 0.000 0.819 6 A HN 0.554 nan 8.150 nan 0.000 0.442 7 R N -0.459 119.984 120.500 -0.095 0.000 2.083 7 R HA -0.112 4.228 4.340 -0.000 0.000 0.237 7 R C 2.496 178.807 176.300 0.019 0.000 1.137 7 R CA 1.304 57.425 56.100 0.034 0.000 0.951 7 R CB -0.518 29.801 30.300 0.032 0.000 0.851 7 R HN 0.508 nan 8.270 nan 0.000 0.434 8 A N 1.124 123.935 122.820 -0.014 0.000 1.908 8 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 8 A C 2.102 179.674 177.584 -0.020 0.000 1.181 8 A CA 1.185 53.211 52.037 -0.019 0.000 0.627 8 A CB -0.458 18.526 19.000 -0.027 0.000 0.818 8 A HN 0.244 nan 8.150 nan 0.000 0.445 9 L N -0.492 120.723 121.223 -0.014 0.000 2.056 9 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 9 L C 2.532 179.410 176.870 0.013 0.000 1.078 9 L CA 2.617 57.455 54.840 -0.004 0.000 0.749 9 L CB -0.836 41.223 42.059 -0.000 0.000 0.901 9 L HN 0.371 nan 8.230 nan 0.000 0.433 10 T N -1.088 113.488 114.554 0.037 0.000 2.684 10 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 10 T C 1.937 176.651 174.700 0.023 0.000 1.036 10 T CA 1.825 63.958 62.100 0.054 0.000 1.148 10 T CB -0.438 68.494 68.868 0.107 0.000 0.863 10 T HN 0.191 nan 8.240 nan 0.000 0.436 11 V N 1.485 121.405 119.914 0.009 0.000 2.287 11 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 11 V C 2.529 178.601 176.094 -0.037 0.000 1.053 11 V CA 1.780 64.068 62.300 -0.019 0.000 1.027 11 V CB -0.626 31.175 31.823 -0.037 0.000 0.646 11 V HN 0.477 nan 8.190 nan 0.000 0.447 12 M N -0.678 118.899 119.600 -0.040 0.000 2.065 12 M HA -0.210 4.270 4.480 -0.000 0.000 0.259 12 M C 2.467 178.752 176.300 -0.025 0.000 1.069 12 M CA 1.955 57.227 55.300 -0.046 0.000 1.110 12 M CB -0.529 32.044 32.600 -0.045 0.000 1.328 12 M HN 0.215 nan 8.290 nan 0.000 0.405 13 R N -0.065 120.429 120.500 -0.010 0.000 2.152 13 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 13 R C 2.218 178.515 176.300 -0.006 0.000 1.117 13 R CA 1.294 57.393 56.100 -0.002 0.000 0.981 13 R CB -0.471 29.835 30.300 0.010 0.000 0.870 13 R HN 0.394 nan 8.270 nan 0.000 0.451 14 A N 0.499 123.313 122.820 -0.010 0.000 1.897 14 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 14 A C 2.259 179.830 177.584 -0.021 0.000 1.181 14 A CA 0.976 53.006 52.037 -0.013 0.000 0.620 14 A CB -0.508 18.485 19.000 -0.012 0.000 0.821 14 A HN 0.421 nan 8.150 nan 0.000 0.443 15 C N -0.588 118.695 119.300 -0.029 0.000 2.432 15 C HA 0.139 4.599 4.460 -0.000 0.000 0.282 15 C C 3.111 178.088 174.990 -0.023 0.000 1.388 15 C CA 0.497 59.495 59.018 -0.033 0.000 1.777 15 C CB -1.383 26.330 27.740 -0.045 0.000 1.882 15 C HN 0.681 nan 8.230 nan 0.000 0.520 16 A N 0.600 123.409 122.820 -0.018 0.000 2.014 16 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 16 A C 2.145 179.718 177.584 -0.019 0.000 1.163 16 A CA 2.002 54.030 52.037 -0.016 0.000 0.652 16 A CB -0.849 18.144 19.000 -0.012 0.000 0.808 16 A HN 0.539 nan 8.150 nan 0.000 0.449 17 T N 0.689 115.232 114.554 -0.017 0.000 2.929 17 T HA -0.026 4.324 4.350 -0.000 0.000 0.271 17 T C 0.433 175.121 174.700 -0.021 0.000 1.085 17 T CA 0.532 62.622 62.100 -0.017 0.000 1.125 17 T CB -0.306 68.554 68.868 -0.014 0.000 0.874 17 T HN 0.139 nan 8.240 nan 0.000 0.494 18 L N 2.676 123.885 121.223 -0.025 0.000 2.384 18 L HA 0.301 4.641 4.340 -0.000 0.000 0.258 18 L C 1.321 178.172 176.870 -0.033 0.000 1.266 18 L CA 0.375 55.198 54.840 -0.028 0.000 1.162 18 L CB -0.454 41.586 42.059 -0.032 0.000 1.375 18 L HN 0.147 nan 8.230 nan 0.000 0.420 19 Q N 0.737 120.520 119.800 -0.030 0.000 2.250 19 Q HA 0.096 4.436 4.340 -0.000 0.000 0.200 19 Q C 0.657 176.638 176.000 -0.033 0.000 0.941 19 Q CA 0.936 56.720 55.803 -0.032 0.000 0.872 19 Q CB 0.801 29.523 28.738 -0.027 0.000 0.965 19 Q HN 0.665 nan 8.270 nan 0.000 0.480 20 E N -2.774 117.409 120.200 -0.028 0.000 2.423 20 E HA 0.547 4.897 4.350 -0.000 0.000 0.269 20 E C -0.472 176.113 176.600 -0.026 0.000 0.948 20 E CA 0.067 56.451 56.400 -0.027 0.000 0.802 20 E CB 1.280 30.966 29.700 -0.022 0.000 1.339 20 E HN 0.047 nan 8.360 nan 0.000 0.445 21 A N 1.207 124.013 122.820 -0.024 0.000 1.861 21 A HA -0.078 4.242 4.320 -0.000 0.000 0.212 21 A C 1.729 179.302 177.584 -0.019 0.000 1.199 21 A CA 1.269 53.293 52.037 -0.022 0.000 0.613 21 A CB -0.355 18.632 19.000 -0.022 0.000 0.846 21 A HN 0.602 nan 8.150 nan 0.000 0.446 22 R N 0.179 120.669 120.500 -0.017 0.000 2.317 22 R HA 0.231 4.571 4.340 -0.000 0.000 0.208 22 R C -0.085 176.207 176.300 -0.013 0.000 0.914 22 R CA -0.162 55.929 56.100 -0.014 0.000 1.060 22 R CB -0.892 29.400 30.300 -0.012 0.000 1.015 22 R HN 0.457 nan 8.270 nan 0.000 0.498 23 I N 0.364 120.925 120.570 -0.015 0.000 2.752 23 I HA 0.028 4.198 4.170 -0.000 0.000 0.287 23 I C 0.559 176.669 176.117 -0.013 0.000 1.188 23 I CA -1.391 59.901 61.300 -0.014 0.000 1.427 23 I CB 0.404 38.396 38.000 -0.015 0.000 1.365 23 I HN -0.063 nan 8.210 nan 0.000 0.585 24 V N 5.364 125.271 119.914 -0.011 0.000 2.455 24 V HA 0.423 4.543 4.120 -0.000 0.000 0.273 24 V C 0.140 176.228 176.094 -0.011 0.000 1.045 24 V CA -0.575 61.718 62.300 -0.011 0.000 0.976 24 V CB 0.563 32.380 31.823 -0.009 0.000 0.993 24 V HN 0.620 nan 8.190 nan 0.000 0.475 25 L N 3.444 124.661 121.223 -0.011 0.000 2.421 25 L HA 0.496 4.836 4.340 -0.000 0.000 0.263 25 L C 0.675 177.539 176.870 -0.010 0.000 1.122 25 L CA -0.051 54.782 54.840 -0.011 0.000 0.804 25 L CB 0.971 43.023 42.059 -0.012 0.000 1.150 25 L HN 0.918 nan 8.230 nan 0.000 0.457 26 E N 0.467 120.660 120.200 -0.010 0.000 2.376 26 E HA 0.120 4.470 4.350 -0.000 0.000 0.266 26 E C 0.852 177.445 176.600 -0.011 0.000 1.009 26 E CA 0.099 56.493 56.400 -0.010 0.000 0.902 26 E CB 1.159 30.854 29.700 -0.010 0.000 0.972 26 E HN 0.681 nan 8.360 nan 0.000 0.439 27 A N 5.271 128.085 122.820 -0.011 0.000 1.997 27 A HA -0.301 4.019 4.320 -0.000 0.000 0.221 27 A C 1.967 179.543 177.584 -0.012 0.000 1.172 27 A CA 2.028 54.058 52.037 -0.011 0.000 0.645 27 A CB -0.639 18.354 19.000 -0.011 0.000 0.813 27 A HN 0.912 nan 8.150 nan 0.000 0.454 28 N N 0.067 118.759 118.700 -0.013 0.000 2.043 28 N HA -0.155 4.585 4.740 -0.000 0.000 0.193 28 N C 1.732 177.234 175.510 -0.013 0.000 1.037 28 N CA 2.086 55.127 53.050 -0.015 0.000 0.851 28 N CB -0.173 38.304 38.487 -0.016 0.000 1.027 28 N HN 0.272 nan 8.380 nan 0.000 0.422 29 V N 2.032 121.940 119.914 -0.011 0.000 2.287 29 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 29 V C 2.602 178.690 176.094 -0.011 0.000 1.053 29 V CA 1.705 63.999 62.300 -0.010 0.000 1.027 29 V CB -0.504 31.312 31.823 -0.011 0.000 0.646 29 V HN 0.360 nan 8.190 nan 0.000 0.447 30 M N -0.436 119.157 119.600 -0.011 0.000 2.117 30 M HA -0.229 4.251 4.480 -0.000 0.000 0.262 30 M C 2.315 178.610 176.300 -0.009 0.000 1.065 30 M CA 2.112 57.406 55.300 -0.010 0.000 1.114 30 M CB -0.640 31.954 32.600 -0.010 0.000 1.361 30 M HN 0.444 nan 8.290 nan 0.000 0.408 31 E N 1.171 121.366 120.200 -0.009 0.000 2.085 31 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 31 E C 1.824 178.420 176.600 -0.006 0.000 0.994 31 E CA 1.329 57.724 56.400 -0.009 0.000 0.801 31 E CB -0.013 29.679 29.700 -0.013 0.000 0.743 31 E HN 0.497 nan 8.360 nan 0.000 0.453 32 I N 0.692 121.258 120.570 -0.007 0.000 2.094 32 I HA -0.294 3.876 4.170 -0.000 0.000 0.234 32 I C 2.546 178.663 176.117 0.001 0.000 1.063 32 I CA 0.911 62.211 61.300 -0.001 0.000 1.328 32 I CB -0.358 37.643 38.000 0.001 0.000 1.058 32 I HN 0.185 nan 8.210 nan 0.000 0.400 33 L N 0.754 121.973 121.223 -0.006 0.000 2.189 33 L HA -0.186 4.154 4.340 -0.000 0.000 0.214 33 L C 2.619 179.487 176.870 -0.004 0.000 1.097 33 L CA 1.407 56.241 54.840 -0.011 0.000 0.764 33 L CB -1.164 40.884 42.059 -0.019 0.000 0.900 33 L HN 0.403 nan 8.230 nan 0.000 0.436 34 G N 0.313 109.112 108.800 -0.002 0.000 2.442 34 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 34 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 34 G C 1.555 176.461 174.900 0.009 0.000 1.141 34 G CA 0.778 45.880 45.100 0.002 0.000 0.763 34 G HN 0.327 nan 8.290 nan 0.000 0.554 35 I N 0.889 121.466 120.570 0.012 0.000 2.339 35 I HA 0.011 4.181 4.170 -0.000 0.000 0.245 35 I C 3.285 179.420 176.117 0.031 0.000 1.096 35 I CA 0.698 62.009 61.300 0.019 0.000 1.408 35 I CB -0.330 37.681 38.000 0.018 0.000 1.092 35 I HN 0.215 nan 8.210 nan 0.000 0.423 36 A N 1.681 124.518 122.820 0.028 0.000 1.873 36 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 36 A C 2.286 179.904 177.584 0.058 0.000 1.193 36 A CA 1.875 53.934 52.037 0.037 0.000 0.629 36 A CB -1.024 17.981 19.000 0.009 0.000 0.826 36 A HN 0.400 nan 8.150 nan 0.000 0.447 37 I N -0.585 120.005 120.570 0.032 0.000 2.394 37 I HA -0.219 3.951 4.170 -0.000 0.000 0.251 37 I C 2.355 178.525 176.117 0.089 0.000 1.136 37 I CA 1.623 62.956 61.300 0.054 0.000 1.425 37 I CB -0.525 37.483 38.000 0.013 0.000 1.079 37 I HN 0.486 nan 8.210 nan 0.000 0.425 38 N N 0.976 119.710 118.700 0.056 0.000 2.166 38 N HA -0.220 4.520 4.740 -0.000 0.000 0.186 38 N C 1.973 177.512 175.510 0.049 0.000 1.019 38 N CA 1.182 54.259 53.050 0.044 0.000 0.856 38 N CB 0.052 38.555 38.487 0.027 0.000 0.993 38 N HN -0.002 nan 8.380 nan 0.000 0.426 39 R N -1.010 119.528 120.500 0.063 0.000 2.140 39 R HA 0.056 4.396 4.340 -0.000 0.000 0.213 39 R C 1.741 178.081 176.300 0.067 0.000 1.059 39 R CA 0.806 56.938 56.100 0.053 0.000 1.000 39 R CB -0.881 29.450 30.300 0.052 0.000 0.910 39 R HN 0.408 nan 8.270 nan 0.000 0.455 40 Y N 0.680 120.969 120.300 -0.019 0.000 2.133 40 Y HA -0.106 4.444 4.550 -0.000 0.000 0.287 40 Y C 1.299 177.170 175.900 -0.049 0.000 1.134 40 Y CA 2.265 60.346 58.100 -0.031 0.000 1.133 40 Y CB -0.335 38.109 38.460 -0.026 0.000 0.987 40 Y HN 0.174 nan 8.280 nan 0.000 0.502 41 N N -0.363 118.394 118.700 0.095 0.000 2.443 41 N HA -0.119 4.621 4.740 -0.000 0.000 0.184 41 N C 1.827 177.289 175.510 -0.081 0.000 1.037 41 N CA 0.636 53.681 53.050 -0.008 0.000 0.896 41 N CB -0.316 38.208 38.487 0.063 0.000 0.959 41 N HN 0.525 nan 8.380 nan 0.000 0.442 42 G N 0.479 109.240 108.800 -0.066 0.000 2.408 42 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.215 42 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.215 42 G C 1.240 176.080 174.900 -0.101 0.000 1.156 42 G CA 0.211 45.273 45.100 -0.063 0.000 0.793 42 G HN 0.168 nan 8.290 nan 0.000 0.535 43 L N 0.137 121.269 121.223 -0.152 0.000 2.585 43 L HA 0.227 4.567 4.340 -0.000 0.000 0.226 43 L C 2.257 178.971 176.870 -0.260 0.000 1.113 43 L CA 0.467 55.208 54.840 -0.165 0.000 0.876 43 L CB 0.445 42.425 42.059 -0.133 0.000 1.072 43 L HN 0.082 nan 8.230 nan 0.000 0.468 44 T N -0.878 113.429 114.554 -0.413 0.000 2.999 44 T HA 0.198 4.548 4.350 -0.000 0.000 0.247 44 T C 0.592 175.052 174.700 -0.400 0.000 1.012 44 T CA -0.135 61.605 62.100 -0.600 0.000 1.048 44 T CB 0.559 68.755 68.868 -1.120 0.000 1.020 44 T HN 0.014 nan 8.240 nan 0.000 0.478 45 L N 1.457 122.529 121.223 -0.253 0.000 3.754 45 L HA -0.127 4.213 4.340 -0.000 0.000 0.410 45 L C 0.268 177.086 176.870 -0.086 0.000 1.230 45 L CA 0.682 55.446 54.840 -0.127 0.000 0.901 45 L CB -1.589 40.421 42.059 -0.081 0.000 1.982 45 L HN 0.207 nan 8.230 nan 0.000 0.822 46 R N -0.729 119.721 120.500 -0.084 0.000 2.856 46 R HA 0.787 5.127 4.340 -0.000 0.000 0.258 46 R C 0.787 177.121 176.300 0.058 0.000 1.066 46 R CA -0.202 55.908 56.100 0.017 0.000 1.045 46 R CB 1.356 31.703 30.300 0.078 0.000 1.178 46 R HN 0.154 nan 8.270 nan 0.000 0.499 47 G N 0.970 109.812 108.800 0.069 0.000 3.288 47 G HA2 0.375 4.335 3.960 -0.000 0.000 0.337 47 G HA3 0.375 4.335 3.960 -0.000 0.000 0.337 47 G C -0.537 174.394 174.900 0.052 0.000 1.142 47 G CA -0.263 44.869 45.100 0.053 0.000 1.304 47 G HN 0.193 nan 8.290 nan 0.000 0.475 48 V N 1.847 121.800 119.914 0.065 0.000 2.439 48 V HA 0.467 4.587 4.120 -0.000 0.000 0.282 48 V C 0.487 176.588 176.094 0.011 0.000 1.039 48 V CA -0.336 61.982 62.300 0.030 0.000 0.913 48 V CB 1.432 33.265 31.823 0.017 0.000 0.983 48 V HN 0.533 nan 8.190 nan 0.000 0.460 49 T N 5.250 119.800 114.554 -0.007 0.000 2.895 49 T HA 0.388 4.738 4.350 -0.000 0.000 0.283 49 T C 1.082 175.770 174.700 -0.019 0.000 1.014 49 T CA -0.513 61.582 62.100 -0.010 0.000 1.037 49 T CB 1.732 70.592 68.868 -0.012 0.000 1.006 49 T HN 0.524 nan 8.240 nan 0.000 0.468 50 M N 0.626 120.217 119.600 -0.015 0.000 2.175 50 M HA 0.047 4.527 4.480 -0.000 0.000 0.264 50 M C 1.248 177.534 176.300 -0.023 0.000 1.063 50 M CA 1.458 56.747 55.300 -0.019 0.000 1.119 50 M CB 0.093 32.684 32.600 -0.014 0.000 1.377 50 M HN 0.255 nan 8.290 nan 0.000 0.415 51 R N 0.592 121.080 120.500 -0.020 0.000 3.050 51 R HA 0.287 4.627 4.340 -0.000 0.000 0.275 51 R C -2.628 173.657 176.300 -0.025 0.000 1.373 51 R CA -2.025 54.062 56.100 -0.022 0.000 1.612 51 R CB 0.115 30.404 30.300 -0.018 0.000 1.218 51 R HN -0.036 nan 8.270 nan 0.000 0.621 52 P HA 0.128 nan 4.420 nan 0.000 0.271 52 P C 0.035 177.312 177.300 -0.037 0.000 1.216 52 P CA 0.056 63.134 63.100 -0.036 0.000 0.776 52 P CB 1.519 33.191 31.700 -0.048 0.000 0.881 53 T N -2.810 111.723 114.554 -0.035 0.000 3.250 53 T HA 0.013 4.363 4.350 -0.000 0.000 0.265 53 T C 1.546 176.224 174.700 -0.037 0.000 0.973 53 T CA 0.608 62.688 62.100 -0.034 0.000 1.040 53 T CB -0.838 68.014 68.868 -0.025 0.000 1.167 53 T HN 0.368 nan 8.240 nan 0.000 0.471 54 S N 2.403 118.083 115.700 -0.033 0.000 2.446 54 S HA 0.151 4.621 4.470 -0.000 0.000 0.200 54 S C 1.428 176.002 174.600 -0.044 0.000 1.248 54 S CA 1.384 59.565 58.200 -0.032 0.000 1.813 54 S CB -0.638 62.547 63.200 -0.025 0.000 0.870 54 S HN 0.599 nan 8.310 nan 0.000 0.371 55 L N -1.691 119.501 121.223 -0.051 0.000 1.967 55 L HA 0.502 4.842 4.340 -0.000 0.000 0.222 55 L C 1.800 178.618 176.870 -0.086 0.000 1.189 55 L CA 0.825 55.623 54.840 -0.069 0.000 1.303 55 L CB -0.960 41.069 42.059 -0.050 0.000 2.607 55 L HN 0.445 nan 8.230 nan 0.000 0.524 56 A N 0.024 122.809 122.820 -0.059 0.000 1.969 56 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 56 A C 1.915 179.452 177.584 -0.078 0.000 1.169 56 A CA 1.930 53.931 52.037 -0.059 0.000 0.635 56 A CB -0.489 18.502 19.000 -0.015 0.000 0.810 56 A HN 0.682 nan 8.150 nan 0.000 0.445 57 Q N -0.813 118.949 119.800 -0.062 0.000 2.172 57 Q HA -0.065 4.275 4.340 -0.000 0.000 0.200 57 Q C 2.267 178.215 176.000 -0.086 0.000 0.964 57 Q CA 0.990 56.760 55.803 -0.056 0.000 0.855 57 Q CB -0.090 28.625 28.738 -0.040 0.000 0.918 57 Q HN 0.606 nan 8.270 nan 0.000 0.444 58 R N 0.352 120.787 120.500 -0.108 0.000 2.073 58 R HA -0.025 4.315 4.340 -0.000 0.000 0.229 58 R C 1.837 178.021 176.300 -0.193 0.000 1.120 58 R CA 0.906 56.929 56.100 -0.128 0.000 0.967 58 R CB -0.129 30.093 30.300 -0.131 0.000 0.862 58 R HN 0.259 nan 8.270 nan 0.000 0.436 59 N N 1.093 119.615 118.700 -0.296 0.000 2.058 59 N HA -0.176 4.564 4.740 -0.000 0.000 0.191 59 N C 1.678 176.752 175.510 -0.728 0.000 1.037 59 N CA 1.211 53.887 53.050 -0.623 0.000 0.848 59 N CB -0.306 37.767 38.487 -0.690 0.000 1.021 59 N HN 0.144 nan 8.380 nan 0.000 0.422 60 E N 0.900 120.874 120.200 -0.377 0.000 2.114 60 E HA -0.189 4.161 4.350 -0.000 0.000 0.199 60 E C 1.975 178.547 176.600 -0.047 0.000 1.008 60 E CA 1.216 57.552 56.400 -0.107 0.000 0.810 60 E CB -0.200 29.495 29.700 -0.009 0.000 0.739 60 E HN 0.356 nan 8.360 nan 0.000 0.456 61 M N -1.134 118.410 119.600 -0.094 0.000 2.123 61 M HA -0.104 4.376 4.480 -0.000 0.000 0.263 61 M C 1.941 178.195 176.300 -0.077 0.000 1.069 61 M CA 1.462 56.709 55.300 -0.090 0.000 1.133 61 M CB -0.198 32.356 32.600 -0.076 0.000 1.356 61 M HN 0.244 nan 8.290 nan 0.000 0.415 62 F N 0.841 120.670 119.950 -0.201 0.000 2.126 62 F HA -0.260 4.267 4.527 -0.000 0.000 0.299 62 F C 1.543 177.340 175.800 -0.004 0.000 1.096 62 F CA 1.659 59.574 58.000 -0.142 0.000 1.255 62 F CB -0.371 38.500 39.000 -0.215 0.000 0.997 62 F HN 0.133 nan 8.300 nan 0.000 0.479 63 F N 0.131 120.041 119.950 -0.067 0.000 2.171 63 F HA -0.245 4.282 4.527 -0.000 0.000 0.300 63 F C 2.558 178.327 175.800 -0.050 0.000 1.090 63 F CA 1.431 59.383 58.000 -0.079 0.000 1.293 63 F CB -1.387 37.702 39.000 0.147 0.000 1.013 63 F HN 0.129 nan 8.300 nan 0.000 0.486 64 M N -0.784 118.857 119.600 0.068 0.000 2.086 64 M HA -0.234 4.246 4.480 -0.000 0.000 0.261 64 M C 2.295 178.457 176.300 -0.230 0.000 1.067 64 M CA 1.908 57.070 55.300 -0.229 0.000 1.116 64 M CB -0.581 31.611 32.600 -0.680 0.000 1.348 64 M HN 0.167 nan 8.290 nan 0.000 0.407 65 C N 0.557 119.696 119.300 -0.269 0.000 2.425 65 C HA -0.151 4.309 4.460 -0.000 0.000 0.277 65 C C 2.609 177.442 174.990 -0.262 0.000 1.280 65 C CA 0.694 59.546 59.018 -0.277 0.000 1.744 65 C CB -1.389 26.140 27.740 -0.352 0.000 1.989 65 C HN 0.687 nan 8.230 nan 0.000 0.491 66 L N 1.193 122.210 121.223 -0.344 0.000 2.027 66 L HA -0.089 4.251 4.340 -0.000 0.000 0.206 66 L C 2.148 178.985 176.870 -0.055 0.000 1.074 66 L CA 2.008 56.685 54.840 -0.271 0.000 0.745 66 L CB -1.016 40.790 42.059 -0.421 0.000 0.898 66 L HN 0.270 nan 8.230 nan 0.000 0.433 67 D N -0.765 119.685 120.400 0.083 0.000 2.123 67 D HA -0.221 4.419 4.640 -0.000 0.000 0.196 67 D C 2.150 178.524 176.300 0.123 0.000 0.992 67 D CA 1.911 56.038 54.000 0.211 0.000 0.833 67 D CB 0.006 41.024 40.800 0.363 0.000 0.954 67 D HN 0.427 nan 8.370 nan 0.000 0.455 68 M N -0.394 119.241 119.600 0.059 0.000 2.193 68 M HA -0.067 4.413 4.480 -0.000 0.000 0.265 68 M C 2.306 178.605 176.300 -0.002 0.000 1.071 68 M CA 0.750 56.068 55.300 0.030 0.000 1.140 68 M CB -0.238 32.354 32.600 -0.013 0.000 1.369 68 M HN -0.037 nan 8.290 nan 0.000 0.423 69 M N 1.238 120.818 119.600 -0.034 0.000 2.106 69 M HA -0.190 4.290 4.480 -0.000 0.000 0.259 69 M C 1.881 178.170 176.300 -0.019 0.000 1.068 69 M CA 1.982 57.260 55.300 -0.038 0.000 1.100 69 M CB -0.535 32.028 32.600 -0.061 0.000 1.351 69 M HN 0.316 nan 8.290 nan 0.000 0.404 70 L N -0.992 120.229 121.223 -0.003 0.000 2.044 70 L HA -0.150 4.190 4.340 -0.000 0.000 0.205 70 L C 2.464 179.342 176.870 0.013 0.000 1.075 70 L CA 1.069 55.915 54.840 0.010 0.000 0.747 70 L CB -0.909 41.172 42.059 0.037 0.000 0.903 70 L HN 0.239 nan 8.230 nan 0.000 0.435 71 S N 0.136 115.853 115.700 0.028 0.000 2.374 71 S HA -0.234 4.236 4.470 -0.000 0.000 0.227 71 S C 2.148 176.750 174.600 0.004 0.000 1.037 71 S CA 1.443 59.657 58.200 0.023 0.000 1.024 71 S CB -0.299 62.925 63.200 0.041 0.000 0.861 71 S HN 0.504 nan 8.310 nan 0.000 0.456 72 A N 1.099 123.916 122.820 -0.005 0.000 1.898 72 A HA 0.228 4.548 4.320 -0.000 0.000 0.216 72 A C 2.207 179.775 177.584 -0.026 0.000 1.181 72 A CA 1.512 53.536 52.037 -0.021 0.000 0.620 72 A CB -0.832 18.150 19.000 -0.029 0.000 0.819 72 A HN 0.523 nan 8.150 nan 0.000 0.442 73 A N -1.455 121.351 122.820 -0.024 0.000 2.208 73 A HA 0.408 4.728 4.320 -0.000 0.000 0.209 73 A C 1.642 179.213 177.584 -0.021 0.000 1.161 73 A CA 1.109 53.130 52.037 -0.027 0.000 0.782 73 A CB -1.070 17.913 19.000 -0.029 0.000 0.816 73 A HN 1.944 nan 8.150 nan 0.000 0.477 74 G N -0.422 108.370 108.800 -0.014 0.000 2.298 74 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.287 74 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.287 74 G C -0.130 174.765 174.900 -0.008 0.000 1.075 74 G CA 0.505 45.599 45.100 -0.010 0.000 0.960 74 G HN 0.491 nan 8.290 nan 0.000 0.502 75 I N -0.218 120.350 120.570 -0.004 0.000 2.603 75 I HA 0.392 4.562 4.170 -0.000 0.000 0.300 75 I C 0.249 176.369 176.117 0.006 0.000 1.017 75 I CA -0.924 60.374 61.300 -0.003 0.000 1.098 75 I CB 2.182 40.176 38.000 -0.009 0.000 1.279 75 I HN 0.224 nan 8.210 nan 0.000 0.437 76 N N 4.368 123.070 118.700 0.003 0.000 2.682 76 N HA 0.203 4.943 4.740 -0.000 0.000 0.252 76 N C 0.614 176.130 175.510 0.009 0.000 1.081 76 N CA -0.288 52.766 53.050 0.006 0.000 0.844 76 N CB 1.524 40.010 38.487 -0.003 0.000 1.167 76 N HN 0.550 nan 8.380 nan 0.000 0.523 77 V N 1.458 121.387 119.914 0.025 0.000 2.626 77 V HA 0.242 4.362 4.120 -0.000 0.000 0.252 77 V C 1.341 177.453 176.094 0.029 0.000 1.067 77 V CA 1.329 63.645 62.300 0.027 0.000 1.081 77 V CB -1.443 30.408 31.823 0.048 0.000 0.686 77 V HN 0.781 nan 8.190 nan 0.000 0.468 78 G N 1.335 110.149 108.800 0.023 0.000 2.542 78 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.235 78 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.235 78 G C -2.252 172.663 174.900 0.026 0.000 1.286 78 G CA -0.121 44.984 45.100 0.008 0.000 0.904 78 G HN 0.730 nan 8.290 nan 0.000 0.577 79 P HA 0.390 nan 4.420 nan 0.000 0.273 79 P C 0.837 178.241 177.300 0.174 0.000 1.428 79 P CA 0.273 63.423 63.100 0.083 0.000 0.995 79 P CB -0.389 31.350 31.700 0.065 0.000 1.286 80 I N -0.195 120.471 120.570 0.160 0.000 4.327 80 I HA 0.336 4.506 4.170 -0.000 0.000 0.331 80 I C 0.221 176.319 176.117 -0.030 0.000 1.348 80 I CA -0.288 61.103 61.300 0.151 0.000 1.152 80 I CB 0.599 38.656 38.000 0.096 0.000 1.151 80 I HN 0.138 nan 8.210 nan 0.000 0.410 81 S N 1.570 117.213 115.700 -0.095 0.000 2.541 81 S HA 0.546 5.016 4.470 -0.000 0.000 0.271 81 S C -2.291 172.207 174.600 -0.171 0.000 1.133 81 S CA -0.906 57.144 58.200 -0.250 0.000 0.876 81 S CB 1.938 65.206 63.200 0.113 0.000 1.105 81 S HN -0.004 nan 8.310 nan 0.000 0.470 82 P HA 0.132 nan 4.420 nan 0.000 0.230 82 P C 0.115 177.452 177.300 0.062 0.000 1.168 82 P CA 0.719 63.835 63.100 0.027 0.000 0.793 82 P CB 0.199 31.945 31.700 0.076 0.000 0.851 83 D N -1.240 119.225 120.400 0.108 0.000 2.201 83 D HA -0.039 4.601 4.640 -0.000 0.000 0.209 83 D C 0.619 176.953 176.300 0.056 0.000 0.961 83 D CA 0.748 54.853 54.000 0.174 0.000 0.861 83 D CB -0.604 40.414 40.800 0.363 0.000 0.997 83 D HN 0.215 nan 8.370 nan 0.000 0.486 84 Y N 0.963 121.112 120.300 -0.251 0.000 2.361 84 Y HA 0.417 4.967 4.550 -0.000 0.000 0.332 84 Y C -0.736 174.995 175.900 -0.283 0.000 1.101 84 Y CA -0.175 57.601 58.100 -0.539 0.000 1.137 84 Y CB 1.569 39.498 38.460 -0.884 0.000 1.207 84 Y HN -0.343 nan 8.280 nan 0.000 0.463 85 T N 6.273 120.175 114.554 -1.086 0.000 3.011 85 T HA 0.146 4.496 4.350 -0.000 0.000 0.303 85 T C -1.226 172.719 174.700 -1.259 0.000 0.997 85 T CA -0.763 60.803 62.100 -0.891 0.000 1.007 85 T CB 1.205 69.755 68.868 -0.529 0.000 1.017 85 T HN 0.686 nan 8.240 nan 0.000 0.443 86 Q N 3.183 122.405 119.800 -0.964 0.000 2.297 86 Q HA 0.108 4.448 4.340 -0.000 0.000 0.267 86 Q C -0.583 175.178 176.000 -0.398 0.000 1.006 86 Q CA -0.169 55.316 55.803 -0.531 0.000 0.896 86 Q CB 0.413 29.070 28.738 -0.136 0.000 1.186 86 Q HN 0.633 nan 8.270 nan 0.000 0.392 87 H N 5.497 124.478 119.070 -0.150 0.000 2.517 87 H HA 0.117 4.673 4.556 -0.000 0.000 0.317 87 H C 0.502 175.797 175.328 -0.055 0.000 1.080 87 H CA -0.583 55.401 56.048 -0.107 0.000 1.301 87 H CB 1.311 31.000 29.762 -0.121 0.000 1.425 87 H HN 0.683 nan 8.280 nan 0.000 0.471 88 M N 1.736 121.352 119.600 0.026 0.000 2.562 88 M HA 0.012 4.492 4.480 -0.000 0.000 0.257 88 M C 2.026 178.340 176.300 0.024 0.000 1.099 88 M CA 0.349 55.659 55.300 0.017 0.000 1.099 88 M CB -0.928 31.666 32.600 -0.010 0.000 1.427 88 M HN 0.639 nan 8.290 nan 0.000 0.489 89 A N -0.024 122.812 122.820 0.027 0.000 2.168 89 A HA -0.048 4.272 4.320 -0.000 0.000 0.215 89 A C 2.170 179.750 177.584 -0.006 0.000 1.152 89 A CA 1.392 53.426 52.037 -0.006 0.000 0.716 89 A CB -0.909 18.069 19.000 -0.038 0.000 0.794 89 A HN 0.441 nan 8.150 nan 0.000 0.465 90 T N 0.229 114.802 114.554 0.032 0.000 2.803 90 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 90 T C 1.704 176.447 174.700 0.072 0.000 1.052 90 T CA 1.552 63.703 62.100 0.086 0.000 1.136 90 T CB -0.312 68.659 68.868 0.171 0.000 0.864 90 T HN 0.436 nan 8.240 nan 0.000 0.467 91 I N 1.645 122.241 120.570 0.044 0.000 2.394 91 I HA 0.041 4.211 4.170 -0.000 0.000 0.251 91 I C 2.402 178.531 176.117 0.021 0.000 1.136 91 I CA 0.875 62.192 61.300 0.028 0.000 1.425 91 I CB -0.741 37.268 38.000 0.015 0.000 1.079 91 I HN 0.230 nan 8.210 nan 0.000 0.425 92 G N -0.521 108.288 108.800 0.016 0.000 2.443 92 G HA2 -0.136 3.825 3.960 -0.000 0.000 0.219 92 G HA3 -0.136 3.825 3.960 -0.000 0.000 0.219 92 G C 1.609 176.521 174.900 0.019 0.000 1.131 92 G CA 0.995 46.100 45.100 0.010 0.000 0.775 92 G HN 0.353 nan 8.290 nan 0.000 0.547 93 V N 0.765 120.700 119.914 0.034 0.000 2.379 93 V HA -0.041 4.079 4.120 -0.000 0.000 0.245 93 V C 2.592 178.721 176.094 0.058 0.000 1.044 93 V CA 0.850 63.184 62.300 0.058 0.000 1.036 93 V CB -0.367 31.526 31.823 0.117 0.000 0.664 93 V HN 0.207 nan 8.190 nan 0.000 0.453 94 L N 0.361 121.615 121.223 0.051 0.000 2.549 94 L HA 0.054 4.394 4.340 -0.000 0.000 0.229 94 L C 2.169 179.049 176.870 0.017 0.000 1.158 94 L CA 1.684 56.543 54.840 0.032 0.000 0.842 94 L CB -1.332 40.738 42.059 0.018 0.000 0.952 94 L HN 0.341 nan 8.230 nan 0.000 0.452 95 A N -2.324 120.508 122.820 0.020 0.000 2.197 95 A HA 0.120 4.440 4.320 -0.000 0.000 0.210 95 A C 1.089 178.689 177.584 0.027 0.000 1.180 95 A CA 0.006 52.052 52.037 0.014 0.000 0.846 95 A CB -0.338 18.667 19.000 0.007 0.000 0.884 95 A HN 0.294 nan 8.150 nan 0.000 0.487 96 T N 3.473 118.047 114.554 0.034 0.000 2.765 96 T HA 0.147 4.497 4.350 -0.000 0.000 0.284 96 T C -1.271 173.460 174.700 0.052 0.000 0.946 96 T CA -0.367 61.755 62.100 0.037 0.000 1.185 96 T CB 0.761 69.650 68.868 0.037 0.000 0.887 96 T HN 0.323 nan 8.240 nan 0.000 0.532 97 P HA -0.211 nan 4.420 nan 0.000 0.216 97 P C 0.894 178.235 177.300 0.068 0.000 1.150 97 P CA 1.315 64.456 63.100 0.069 0.000 0.843 97 P CB 0.212 31.942 31.700 0.051 0.000 0.787 98 E N -0.308 119.920 120.200 0.047 0.000 2.515 98 E HA -0.005 4.345 4.350 -0.000 0.000 0.201 98 E C 0.747 177.371 176.600 0.041 0.000 1.071 98 E CA 0.235 56.657 56.400 0.035 0.000 0.880 98 E CB -0.588 29.127 29.700 0.025 0.000 0.828 98 E HN 0.380 nan 8.360 nan 0.000 0.540 99 I N 3.675 124.284 120.570 0.065 0.000 2.291 99 I HA 0.197 4.367 4.170 -0.000 0.000 0.290 99 I C -1.976 174.214 176.117 0.121 0.000 1.050 99 I CA -2.523 58.823 61.300 0.077 0.000 1.245 99 I CB 0.655 38.704 38.000 0.082 0.000 1.405 99 I HN -0.102 nan 8.210 nan 0.000 0.478 100 P HA 0.301 nan 4.420 nan 0.000 0.275 100 P C -1.062 176.303 177.300 0.109 0.000 1.266 100 P CA -0.043 63.053 63.100 -0.006 0.000 0.793 100 P CB 0.815 32.450 31.700 -0.109 0.000 1.074 101 F N -3.255 116.696 119.950 0.001 0.000 2.626 101 F HA 0.574 5.101 4.527 -0.000 0.000 0.311 101 F C 0.099 175.900 175.800 0.002 0.000 1.088 101 F CA -1.169 56.831 58.000 0.001 0.000 0.949 101 F CB 0.179 39.180 39.000 0.003 0.000 1.322 101 F HN 0.267 nan 8.300 nan 0.000 0.461 102 T N -2.177 112.457 114.554 0.133 0.000 2.813 102 T HA 0.215 4.565 4.350 -0.000 0.000 0.297 102 T C 0.820 175.576 174.700 0.093 0.000 1.036 102 T CA 0.087 62.218 62.100 0.051 0.000 1.044 102 T CB 0.970 69.874 68.868 0.060 0.000 0.993 102 T HN 0.742 nan 8.240 nan 0.000 0.535 103 T N 0.970 115.543 114.554 0.033 0.000 2.777 103 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 103 T C 1.828 176.579 174.700 0.085 0.000 1.040 103 T CA 1.423 63.554 62.100 0.051 0.000 1.141 103 T CB -0.359 68.517 68.868 0.014 0.000 0.868 103 T HN 0.706 nan 8.240 nan 0.000 0.444 104 E N 1.659 121.900 120.200 0.069 0.000 2.085 104 E HA -0.025 4.325 4.350 -0.000 0.000 0.194 104 E C 2.372 179.027 176.600 0.092 0.000 0.994 104 E CA 1.256 57.696 56.400 0.068 0.000 0.801 104 E CB -0.538 29.193 29.700 0.052 0.000 0.743 104 E HN 0.511 nan 8.360 nan 0.000 0.453 105 A N 0.810 123.701 122.820 0.117 0.000 1.898 105 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 105 A C 2.350 180.004 177.584 0.117 0.000 1.181 105 A CA 1.668 53.775 52.037 0.117 0.000 0.620 105 A CB -0.793 18.288 19.000 0.135 0.000 0.819 105 A HN 0.279 nan 8.150 nan 0.000 0.442 106 A N 0.472 123.412 122.820 0.200 0.000 1.877 106 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 106 A C 1.889 179.535 177.584 0.104 0.000 1.186 106 A CA 1.596 53.739 52.037 0.177 0.000 0.620 106 A CB -0.765 18.447 19.000 0.353 0.000 0.822 106 A HN 0.647 nan 8.150 nan 0.000 0.443 107 N N -0.951 117.810 118.700 0.102 0.000 2.520 107 N HA -0.119 4.621 4.740 -0.000 0.000 0.185 107 N C 1.610 177.169 175.510 0.083 0.000 1.068 107 N CA 1.087 54.181 53.050 0.074 0.000 0.911 107 N CB 0.027 38.548 38.487 0.057 0.000 0.961 107 N HN 0.698 nan 8.380 nan 0.000 0.446 108 E N 0.506 120.767 120.200 0.103 0.000 2.086 108 E HA 0.021 4.371 4.350 -0.000 0.000 0.190 108 E C 1.887 178.579 176.600 0.153 0.000 0.975 108 E CA 0.363 56.858 56.400 0.160 0.000 0.813 108 E CB 0.303 30.089 29.700 0.143 0.000 0.768 108 E HN 0.122 nan 8.360 nan 0.000 0.457 109 I N 0.981 121.592 120.570 0.067 0.000 2.286 109 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 109 I C 2.426 178.561 176.117 0.029 0.000 1.104 109 I CA 1.089 62.400 61.300 0.018 0.000 1.397 109 I CB -1.406 36.570 38.000 -0.041 0.000 1.072 109 I HN 0.095 nan 8.210 nan 0.000 0.417 110 A N 0.772 123.614 122.820 0.036 0.000 2.024 110 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 110 A C 2.409 180.021 177.584 0.048 0.000 1.164 110 A CA 1.836 53.892 52.037 0.032 0.000 0.643 110 A CB -0.535 18.487 19.000 0.036 0.000 0.806 110 A HN 0.304 nan 8.150 nan 0.000 0.451 111 R N -0.297 120.256 120.500 0.088 0.000 2.075 111 R HA 0.000 4.340 4.340 -0.000 0.000 0.226 111 R C 1.782 178.176 176.300 0.156 0.000 1.114 111 R CA 1.893 58.062 56.100 0.114 0.000 0.972 111 R CB -0.937 29.445 30.300 0.136 0.000 0.869 111 R HN 0.247 nan 8.270 nan 0.000 0.437 112 V N 0.025 120.036 119.914 0.161 0.000 2.270 112 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 112 V C 1.982 178.083 176.094 0.011 0.000 1.043 112 V CA 2.389 64.733 62.300 0.073 0.000 1.014 112 V CB -0.799 30.998 31.823 -0.043 0.000 0.645 112 V HN 0.416 nan 8.190 nan 0.000 0.447 113 T N 0.325 114.877 114.554 -0.005 0.000 2.833 113 T HA -0.101 4.249 4.350 -0.000 0.000 0.269 113 T C 1.852 176.535 174.700 -0.028 0.000 1.054 113 T CA 1.416 63.500 62.100 -0.027 0.000 1.135 113 T CB -0.643 68.209 68.868 -0.027 0.000 0.869 113 T HN 0.628 nan 8.240 nan 0.000 0.466 114 G N 2.385 111.182 108.800 -0.005 0.000 2.552 114 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 114 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 114 G C 1.412 176.295 174.900 -0.028 0.000 1.240 114 G CA 1.282 46.377 45.100 -0.007 0.000 0.796 114 G HN 0.675 nan 8.290 nan 0.000 0.568 115 E N -0.650 119.542 120.200 -0.014 0.000 2.268 115 E HA 0.005 4.355 4.350 -0.000 0.000 0.195 115 E C 2.107 178.643 176.600 -0.106 0.000 0.995 115 E CA 1.508 57.885 56.400 -0.037 0.000 0.836 115 E CB -0.748 28.955 29.700 0.005 0.000 0.763 115 E HN 0.284 nan 8.360 nan 0.000 0.491 116 T N -0.206 114.289 114.554 -0.099 0.000 2.951 116 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 116 T C 1.656 176.208 174.700 -0.247 0.000 1.073 116 T CA 1.321 63.330 62.100 -0.152 0.000 1.134 116 T CB -0.338 68.472 68.868 -0.097 0.000 0.884 116 T HN 0.442 nan 8.240 nan 0.000 0.479 117 S N -0.672 114.902 115.700 -0.211 0.000 2.593 117 S HA 0.226 4.696 4.470 -0.000 0.000 0.217 117 S C 0.769 175.155 174.600 -0.356 0.000 0.966 117 S CA -0.191 57.865 58.200 -0.239 0.000 0.914 117 S CB 0.151 63.279 63.200 -0.119 0.000 0.776 117 S HN 0.348 nan 8.310 nan 0.000 0.523 118 T N -0.237 114.064 114.554 -0.423 0.000 2.681 118 T HA 0.539 4.889 4.350 -0.000 0.000 0.296 118 T C -1.809 172.619 174.700 -0.453 0.000 1.157 118 T CA -0.863 61.010 62.100 -0.378 0.000 1.025 118 T CB 0.910 69.775 68.868 -0.006 0.000 1.441 118 T HN 0.420 nan 8.240 nan 0.000 0.504 119 W N -0.248 121.063 121.300 0.018 0.000 2.869 119 W HA 0.691 5.351 4.660 -0.000 0.000 0.345 119 W C 0.195 176.726 176.519 0.019 0.000 1.191 119 W CA -0.980 56.376 57.345 0.019 0.000 1.104 119 W CB 1.563 31.033 29.460 0.016 0.000 1.471 119 W HN 1.031 nan 8.180 nan 0.000 0.612 120 G N 1.198 110.160 108.800 0.270 0.000 2.616 120 G HA2 0.388 4.348 3.960 -0.000 0.000 0.294 120 G HA3 0.388 4.348 3.960 -0.000 0.000 0.294 120 G C -3.127 171.849 174.900 0.126 0.000 1.489 120 G CA -0.919 44.275 45.100 0.156 0.000 0.836 120 G HN 0.023 nan 8.290 nan 0.000 0.527 121 P HA 0.500 nan 4.420 nan 0.000 0.276 121 P C -0.442 176.898 177.300 0.068 0.000 1.243 121 P CA 0.057 63.209 63.100 0.086 0.000 0.768 121 P CB 1.658 33.411 31.700 0.088 0.000 0.856 122 A N 3.977 126.828 122.820 0.051 0.000 2.486 122 A HA 0.463 4.783 4.320 -0.000 0.000 0.300 122 A C -0.185 177.387 177.584 -0.019 0.000 1.048 122 A CA -0.982 51.064 52.037 0.015 0.000 0.696 122 A CB 1.310 20.314 19.000 0.006 0.000 1.278 122 A HN 0.421 nan 8.150 nan 0.000 0.405 123 R N 1.875 122.349 120.500 -0.043 0.000 2.473 123 R HA 0.096 4.436 4.340 -0.000 0.000 0.315 123 R C -0.227 175.981 176.300 -0.154 0.000 0.972 123 R CA 0.049 56.102 56.100 -0.078 0.000 1.047 123 R CB 0.253 30.438 30.300 -0.192 0.000 0.932 123 R HN 0.619 nan 8.270 nan 0.000 0.411 124 Q N 4.469 124.101 119.800 -0.281 0.000 2.352 124 Q HA 0.045 4.385 4.340 -0.000 0.000 0.260 124 Q C -1.179 174.685 176.000 -0.226 0.000 0.976 124 Q CA -1.545 54.063 55.803 -0.326 0.000 0.881 124 Q CB 0.567 28.920 28.738 -0.642 0.000 1.235 124 Q HN 0.471 nan 8.270 nan 0.000 0.419 125 P HA -0.158 nan 4.420 nan 0.000 0.214 125 P C -0.179 176.879 177.300 -0.403 0.000 1.162 125 P CA 1.576 64.392 63.100 -0.473 0.000 0.879 125 P CB 0.148 31.321 31.700 -0.878 0.000 0.786 126 Y N -0.086 120.289 120.300 0.124 0.000 2.458 126 Y HA 0.561 5.111 4.550 -0.000 0.000 0.322 126 Y C 1.747 177.810 175.900 0.271 0.000 1.259 126 Y CA -1.017 57.179 58.100 0.160 0.000 1.302 126 Y CB -0.546 37.989 38.460 0.125 0.000 1.314 126 Y HN -0.101 nan 8.280 nan 0.000 0.509 127 G N -0.089 108.958 108.800 0.412 0.000 2.559 127 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.235 127 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.235 127 G C 0.339 175.434 174.900 0.325 0.000 1.266 127 G CA -0.226 45.096 45.100 0.369 0.000 0.847 127 G HN 0.721 nan 8.290 nan 0.000 0.583 128 F N 1.203 121.186 119.950 0.056 0.000 2.051 128 F HA 0.028 4.555 4.527 -0.000 0.000 0.296 128 F C 1.623 177.212 175.800 -0.353 0.000 1.122 128 F CA 1.162 58.931 58.000 -0.385 0.000 1.201 128 F CB -0.086 38.509 39.000 -0.676 0.000 0.978 128 F HN 0.313 nan 8.300 nan 0.000 0.472 129 F N 0.761 120.820 119.950 0.182 0.000 2.833 129 F HA 0.156 4.683 4.527 -0.000 0.000 0.327 129 F C 1.101 176.927 175.800 0.043 0.000 1.184 129 F CA -0.203 57.838 58.000 0.069 0.000 1.328 129 F CB -0.369 38.683 39.000 0.087 0.000 1.440 129 F HN 0.012 nan 8.300 nan 0.000 0.569 130 L N 0.200 121.497 121.223 0.124 0.000 2.168 130 L HA 0.101 4.441 4.340 -0.000 0.000 0.203 130 L C 1.584 178.493 176.870 0.065 0.000 1.078 130 L CA 1.582 56.487 54.840 0.108 0.000 0.780 130 L CB -0.185 41.940 42.059 0.110 0.000 0.939 130 L HN 0.138 nan 8.230 nan 0.000 0.451 131 E N 0.701 120.922 120.200 0.035 0.000 2.303 131 E HA 0.067 4.417 4.350 -0.000 0.000 0.211 131 E C -0.209 176.413 176.600 0.037 0.000 1.223 131 E CA 0.090 56.504 56.400 0.023 0.000 1.344 131 E CB -0.447 29.253 29.700 -0.000 0.000 1.299 131 E HN 0.504 nan 8.360 nan 0.000 0.441 132 T N -2.909 111.686 114.554 0.067 0.000 2.907 132 T HA 0.265 4.615 4.350 -0.000 0.000 0.284 132 T C 0.847 175.571 174.700 0.040 0.000 1.004 132 T CA -0.784 61.360 62.100 0.073 0.000 1.063 132 T CB 2.051 70.988 68.868 0.115 0.000 0.992 132 T HN 0.013 nan 8.240 nan 0.000 0.483 133 E N 0.730 120.947 120.200 0.028 0.000 2.166 133 E HA 0.069 4.419 4.350 -0.000 0.000 0.192 133 E C 0.130 176.723 176.600 -0.012 0.000 0.967 133 E CA 0.441 56.844 56.400 0.006 0.000 0.840 133 E CB 0.400 30.102 29.700 0.003 0.000 0.795 133 E HN 0.730 nan 8.360 nan 0.000 0.470 134 E N 0.580 120.779 120.200 -0.002 0.000 2.212 134 E HA 0.374 4.724 4.350 -0.000 0.000 0.268 134 E C -0.805 175.799 176.600 0.005 0.000 0.902 134 E CA -0.353 56.023 56.400 -0.039 0.000 0.779 134 E CB 2.378 32.065 29.700 -0.021 0.000 1.172 134 E HN -0.182 nan 8.360 nan 0.000 0.409 135 T N 1.850 116.356 114.554 -0.080 0.000 2.933 135 T HA 0.577 4.927 4.350 -0.000 0.000 0.305 135 T C -1.650 172.985 174.700 -0.109 0.000 1.092 135 T CA -0.599 61.514 62.100 0.020 0.000 1.008 135 T CB 0.464 69.329 68.868 -0.006 0.000 1.102 135 T HN 0.250 nan 8.240 nan 0.000 0.469 136 F N 1.946 121.790 119.950 -0.177 0.000 2.523 136 F HA 0.536 5.063 4.527 -0.000 0.000 0.329 136 F C 0.698 176.431 175.800 -0.111 0.000 1.061 136 F CA -1.076 56.813 58.000 -0.186 0.000 0.967 136 F CB 1.382 40.209 39.000 -0.289 0.000 1.218 136 F HN 0.503 nan 8.300 nan 0.000 0.480 137 Q N 4.596 124.444 119.800 0.080 0.000 2.274 137 Q HA 0.132 4.472 4.340 -0.000 0.000 0.280 137 Q C -2.390 173.659 176.000 0.082 0.000 1.047 137 Q CA -1.648 54.194 55.803 0.064 0.000 0.907 137 Q CB 0.688 29.464 28.738 0.064 0.000 1.171 137 Q HN 0.182 nan 8.270 nan 0.000 0.381 138 P HA 0.048 nan 4.420 nan 0.000 0.271 138 P C 0.135 177.485 177.300 0.084 0.000 1.233 138 P CA 0.877 64.012 63.100 0.058 0.000 0.764 138 P CB 0.625 32.355 31.700 0.049 0.000 0.825 139 G N 2.601 111.457 108.800 0.092 0.000 2.144 139 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 139 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 139 G C 0.129 175.163 174.900 0.224 0.000 0.988 139 G CA -0.216 44.976 45.100 0.153 0.000 0.659 139 G HN 0.752 nan 8.290 nan 0.000 0.522 140 R N 0.106 120.719 120.500 0.189 0.000 2.460 140 R HA 0.484 4.824 4.340 -0.000 0.000 0.303 140 R C 0.307 176.780 176.300 0.287 0.000 0.968 140 R CA -1.072 55.186 56.100 0.262 0.000 0.889 140 R CB 0.520 30.952 30.300 0.220 0.000 1.123 140 R HN 0.259 nan 8.270 nan 0.000 0.455 141 W N 7.130 128.556 121.300 0.209 0.000 2.308 141 W HA 0.173 4.833 4.660 -0.000 0.000 0.324 141 W C -1.788 174.858 176.519 0.212 0.000 1.387 141 W CA -0.013 57.425 57.345 0.156 0.000 1.250 141 W CB 0.465 30.057 29.460 0.220 0.000 1.257 141 W HN 0.563 nan 8.180 nan 0.000 0.554 142 F N 8.837 128.407 119.950 -0.633 0.000 2.787 142 F HA 0.301 4.828 4.527 -0.000 0.000 0.340 142 F C -1.419 173.967 175.800 -0.690 0.000 1.232 142 F CA -0.956 56.771 58.000 -0.456 0.000 1.051 142 F CB 1.126 40.000 39.000 -0.209 0.000 1.330 142 F HN 0.192 nan 8.300 nan 0.000 0.522 143 M N 6.989 125.997 119.600 -0.988 0.000 2.078 143 M HA 0.455 4.935 4.480 -0.000 0.000 0.320 143 M C -0.696 175.230 176.300 -0.624 0.000 0.969 143 M CA -0.470 54.418 55.300 -0.686 0.000 0.929 143 M CB 1.091 33.459 32.600 -0.387 0.000 1.504 143 M HN 0.610 nan 8.290 nan 0.000 0.419 144 R N 3.348 123.587 120.500 -0.436 0.000 2.489 144 R HA 0.563 4.903 4.340 -0.000 0.000 0.287 144 R C -0.327 175.873 176.300 -0.168 0.000 1.053 144 R CA 0.157 56.104 56.100 -0.256 0.000 1.036 144 R CB 0.507 30.768 30.300 -0.065 0.000 0.966 144 R HN 0.915 nan 8.270 nan 0.000 0.432 145 A N 3.704 126.449 122.820 -0.125 0.000 2.580 145 A HA 0.249 4.569 4.320 -0.000 0.000 0.244 145 A C 1.248 178.804 177.584 -0.047 0.000 1.045 145 A CA 0.963 52.957 52.037 -0.071 0.000 0.761 145 A CB -0.526 18.449 19.000 -0.043 0.000 0.962 145 A HN 1.426 nan 8.150 nan 0.000 0.512 146 A N 1.640 124.438 122.820 -0.036 0.000 3.384 146 A HA -0.176 4.144 4.320 -0.000 0.000 0.260 146 A C 0.418 177.986 177.584 -0.027 0.000 1.168 146 A CA 1.601 53.624 52.037 -0.023 0.000 1.253 146 A CB -2.287 16.704 19.000 -0.016 0.000 1.122 146 A HN 0.980 nan 8.150 nan 0.000 0.934 147 Q N -1.606 118.167 119.800 -0.045 0.000 2.235 147 Q HA 0.704 5.044 4.340 -0.000 0.000 0.256 147 Q C 1.042 177.013 176.000 -0.048 0.000 0.951 147 Q CA 0.054 55.827 55.803 -0.050 0.000 0.890 147 Q CB 1.703 30.399 28.738 -0.071 0.000 1.279 147 Q HN 0.894 nan 8.270 nan 0.000 0.444 148 A N 1.027 123.825 122.820 -0.037 0.000 2.169 148 A HA 0.477 4.797 4.320 -0.000 0.000 0.210 148 A C 0.371 177.925 177.584 -0.051 0.000 1.168 148 A CA 0.633 52.658 52.037 -0.020 0.000 0.813 148 A CB 0.502 19.498 19.000 -0.006 0.000 0.861 148 A HN 0.593 nan 8.150 nan 0.000 0.481 149 A N -0.696 122.070 122.820 -0.090 0.000 2.398 149 A HA 0.642 4.962 4.320 -0.000 0.000 0.301 149 A C -0.657 176.831 177.584 -0.160 0.000 1.041 149 A CA -0.271 51.685 52.037 -0.134 0.000 0.711 149 A CB 1.060 19.988 19.000 -0.121 0.000 1.240 149 A HN 0.056 nan 8.150 nan 0.000 0.420 150 T N 2.094 116.513 114.554 -0.224 0.000 3.008 150 T HA 0.571 4.921 4.350 -0.000 0.000 0.328 150 T C -0.076 174.479 174.700 -0.241 0.000 1.020 150 T CA 0.085 62.055 62.100 -0.217 0.000 1.043 150 T CB 1.043 69.767 68.868 -0.239 0.000 1.010 150 T HN 1.229 nan 8.240 nan 0.000 0.466 151 A N 2.790 125.485 122.820 -0.208 0.000 2.363 151 A HA 0.820 5.140 4.320 -0.000 0.000 0.270 151 A C -0.184 177.206 177.584 -0.323 0.000 1.121 151 A CA -0.494 51.401 52.037 -0.237 0.000 0.800 151 A CB 0.694 19.591 19.000 -0.172 0.000 1.052 151 A HN 0.695 nan 8.150 nan 0.000 0.493 152 V N 3.645 123.310 119.914 -0.415 0.000 2.969 152 V HA 0.469 4.589 4.120 -0.000 0.000 0.304 152 V C -0.251 175.519 176.094 -0.540 0.000 1.192 152 V CA -0.364 61.581 62.300 -0.591 0.000 0.962 152 V CB 2.325 33.557 31.823 -0.986 0.000 1.045 152 V HN 1.413 nan 8.190 nan 0.000 0.428 153 V N 3.571 123.167 119.914 -0.530 0.000 2.843 153 V HA 0.385 4.505 4.120 -0.000 0.000 0.305 153 V C 0.792 176.760 176.094 -0.209 0.000 1.065 153 V CA 0.719 62.730 62.300 -0.483 0.000 1.116 153 V CB 0.616 32.139 31.823 -0.499 0.000 0.968 153 V HN 1.473 nan 8.190 nan 0.000 0.487 154 C N 1.190 120.394 119.300 -0.160 0.000 3.865 154 C HA 0.834 5.294 4.460 -0.000 0.000 0.297 154 C C 0.717 175.704 174.990 -0.005 0.000 1.758 154 C CA 0.053 59.050 59.018 -0.033 0.000 1.778 154 C CB -0.869 26.853 27.740 -0.030 0.000 3.158 154 C HN 1.620 nan 8.230 nan 0.000 0.598 155 G N 0.493 109.286 108.800 -0.012 0.000 2.559 155 G HA2 0.585 4.545 3.960 -0.000 0.000 0.291 155 G HA3 0.585 4.545 3.960 -0.000 0.000 0.291 155 G C -2.914 172.063 174.900 0.128 0.000 1.424 155 G CA -0.588 44.547 45.100 0.058 0.000 0.786 155 G HN -0.214 nan 8.290 nan 0.000 0.485 156 P HA 0.117 nan 4.420 nan 0.000 0.229 156 P C 0.280 177.790 177.300 0.351 0.000 1.160 156 P CA 1.357 64.602 63.100 0.241 0.000 0.777 156 P CB 0.341 32.151 31.700 0.184 0.000 0.814 157 D N -3.042 117.557 120.400 0.331 0.000 2.712 157 D HA 0.233 4.873 4.640 -0.000 0.000 0.300 157 D C -0.164 176.336 176.300 0.334 0.000 1.521 157 D CA -0.111 54.116 54.000 0.379 0.000 0.790 157 D CB -0.290 40.686 40.800 0.294 0.000 1.155 157 D HN 0.033 nan 8.370 nan 0.000 0.456 158 M N 1.495 121.253 119.600 0.263 0.000 2.501 158 M HA 0.601 5.081 4.480 -0.000 0.000 0.293 158 M C -2.001 174.224 176.300 -0.125 0.000 1.192 158 M CA -0.589 54.773 55.300 0.104 0.000 0.886 158 M CB 2.834 35.477 32.600 0.070 0.000 1.710 158 M HN 0.178 nan 8.290 nan 0.000 0.457 159 I N 0.640 121.128 120.570 -0.137 0.000 2.994 159 I HA 0.727 4.897 4.170 -0.000 0.000 0.306 159 I C -1.853 174.172 176.117 -0.154 0.000 1.195 159 I CA -0.676 60.447 61.300 -0.295 0.000 1.001 159 I CB 2.558 40.289 38.000 -0.449 0.000 1.244 159 I HN 0.780 nan 8.210 nan 0.000 0.437 160 Q N 3.318 122.998 119.800 -0.198 0.000 2.263 160 Q HA 0.681 5.021 4.340 -0.000 0.000 0.266 160 Q C -1.869 174.008 176.000 -0.206 0.000 1.002 160 Q CA -0.949 54.764 55.803 -0.151 0.000 0.790 160 Q CB 2.547 31.211 28.738 -0.123 0.000 1.272 160 Q HN 0.585 nan 8.270 nan 0.000 0.435 161 V N 1.942 121.750 119.914 -0.178 0.000 2.509 161 V HA 0.385 4.505 4.120 -0.000 0.000 0.284 161 V C -0.083 175.854 176.094 -0.261 0.000 1.047 161 V CA -0.487 61.684 62.300 -0.215 0.000 0.952 161 V CB 1.556 33.271 31.823 -0.180 0.000 0.988 161 V HN 0.855 nan 8.190 nan 0.000 0.469 162 S N 6.187 121.671 115.700 -0.360 0.000 2.461 162 S HA 0.569 5.039 4.470 -0.000 0.000 0.322 162 S C -0.536 173.831 174.600 -0.389 0.000 1.063 162 S CA -0.534 57.340 58.200 -0.543 0.000 1.120 162 S CB 0.423 62.998 63.200 -1.042 0.000 0.968 162 S HN 0.388 nan 8.310 nan 0.000 0.467 163 L N 3.470 124.622 121.223 -0.117 0.000 2.322 163 L HA 0.532 4.872 4.340 -0.000 0.000 0.279 163 L C 0.459 177.485 176.870 0.260 0.000 1.036 163 L CA -0.505 54.344 54.840 0.014 0.000 0.807 163 L CB 0.911 42.959 42.059 -0.017 0.000 1.226 163 L HN 0.478 nan 8.230 nan 0.000 0.433 164 N N 0.616 119.437 118.700 0.202 0.000 2.476 164 N HA 0.381 5.121 4.740 -0.000 0.000 0.275 164 N C -0.142 175.438 175.510 0.117 0.000 1.190 164 N CA -0.440 52.748 53.050 0.230 0.000 0.977 164 N CB 1.438 40.024 38.487 0.165 0.000 1.200 164 N HN 0.683 nan 8.380 nan 0.000 0.515 165 A N -0.054 122.816 122.820 0.084 0.000 2.537 165 A HA 0.402 4.722 4.320 -0.000 0.000 0.260 165 A C 1.274 178.880 177.584 0.035 0.000 1.082 165 A CA 0.705 52.771 52.037 0.049 0.000 0.765 165 A CB -1.107 17.910 19.000 0.028 0.000 1.019 165 A HN 0.913 nan 8.150 nan 0.000 0.507 166 G N 1.006 109.822 108.800 0.027 0.000 2.159 166 G HA2 0.137 4.097 3.960 -0.000 0.000 0.256 166 G HA3 0.137 4.097 3.960 -0.000 0.000 0.256 166 G C 0.500 175.406 174.900 0.010 0.000 0.977 166 G CA 0.461 45.571 45.100 0.016 0.000 0.652 166 G HN 2.136 nan 8.290 nan 0.000 0.531 167 A N -0.130 122.695 122.820 0.008 0.000 2.302 167 A HA 0.940 5.260 4.320 -0.000 0.000 0.285 167 A C 0.561 178.116 177.584 -0.048 0.000 1.105 167 A CA 0.493 52.526 52.037 -0.007 0.000 0.816 167 A CB 0.587 19.589 19.000 0.003 0.000 1.067 167 A HN 1.467 nan 8.150 nan 0.000 0.489 168 R N 0.246 120.713 120.500 -0.055 0.000 2.739 168 R HA 0.826 5.166 4.340 -0.000 0.000 0.271 168 R C -0.328 175.923 176.300 -0.081 0.000 1.010 168 R CA -0.367 55.656 56.100 -0.128 0.000 0.897 168 R CB 1.531 31.807 30.300 -0.041 0.000 1.236 168 R HN 1.700 nan 8.270 nan 0.000 0.466 169 G N 0.874 109.556 108.800 -0.198 0.000 2.377 169 G HA2 0.266 4.226 3.960 -0.000 0.000 0.297 169 G HA3 0.266 4.226 3.960 -0.000 0.000 0.297 169 G C -1.914 172.992 174.900 0.010 0.000 1.547 169 G CA -0.916 44.188 45.100 0.008 0.000 0.833 169 G HN 0.501 nan 8.290 nan 0.000 0.583 170 D N -0.608 119.879 120.400 0.145 0.000 2.339 170 D HA 0.457 5.097 4.640 -0.000 0.000 0.245 170 D C 1.051 177.361 176.300 0.017 0.000 1.115 170 D CA -0.134 53.930 54.000 0.107 0.000 0.917 170 D CB 2.119 42.971 40.800 0.087 0.000 1.192 170 D HN 0.177 nan 8.370 nan 0.000 0.428 171 V N 1.159 121.075 119.914 0.002 0.000 3.497 171 V HA -0.095 4.025 4.120 -0.000 0.000 0.272 171 V C 2.116 178.302 176.094 0.154 0.000 1.474 171 V CA -0.097 62.221 62.300 0.030 0.000 1.025 171 V CB -0.032 31.782 31.823 -0.016 0.000 0.820 171 V HN 0.545 nan 8.190 nan 0.000 0.437 172 Q N 2.033 121.918 119.800 0.142 0.000 2.366 172 Q HA -0.326 4.014 4.340 -0.000 0.000 0.214 172 Q C 1.759 177.998 176.000 0.398 0.000 0.994 172 Q CA 2.349 58.346 55.803 0.323 0.000 0.909 172 Q CB -0.604 28.325 28.738 0.318 0.000 0.918 172 Q HN 0.813 nan 8.270 nan 0.000 0.436 173 Q N 0.514 120.463 119.800 0.249 0.000 2.230 173 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 173 Q C 1.970 178.097 176.000 0.211 0.000 0.963 173 Q CA 1.048 56.971 55.803 0.199 0.000 0.866 173 Q CB -0.591 28.216 28.738 0.114 0.000 0.931 173 Q HN 0.455 nan 8.270 nan 0.000 0.452 174 I N 0.357 121.053 120.570 0.211 0.000 2.493 174 I HA -0.129 4.041 4.170 -0.000 0.000 0.254 174 I C 1.451 177.712 176.117 0.240 0.000 1.160 174 I CA 0.864 62.234 61.300 0.115 0.000 1.445 174 I CB -0.164 37.787 38.000 -0.081 0.000 1.086 174 I HN -0.046 nan 8.210 nan 0.000 0.433 175 F N 0.319 120.469 119.950 0.333 0.000 2.179 175 F HA 0.074 4.601 4.527 -0.000 0.000 0.292 175 F C 1.600 177.562 175.800 0.271 0.000 1.089 175 F CA 0.455 58.672 58.000 0.361 0.000 1.295 175 F CB -0.969 38.187 39.000 0.259 0.000 1.041 175 F HN -0.058 nan 8.300 nan 0.000 0.487 176 Q N -0.038 119.993 119.800 0.385 0.000 2.414 176 Q HA 0.255 4.595 4.340 -0.000 0.000 0.288 176 Q C 1.294 177.383 176.000 0.148 0.000 1.086 176 Q CA 1.031 56.955 55.803 0.203 0.000 0.943 176 Q CB 0.064 28.889 28.738 0.146 0.000 1.282 176 Q HN 0.574 nan 8.270 nan 0.000 0.438 177 G N 1.182 110.032 108.800 0.084 0.000 2.217 177 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.246 177 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.246 177 G C -0.186 174.724 174.900 0.016 0.000 0.990 177 G CA 0.003 45.132 45.100 0.048 0.000 0.627 177 G HN 0.529 nan 8.290 nan 0.000 0.522 178 R N 0.500 121.004 120.500 0.006 0.000 2.664 178 R HA 0.674 5.014 4.340 -0.000 0.000 0.286 178 R C 0.856 177.060 176.300 -0.159 0.000 0.967 178 R CA -0.181 55.849 56.100 -0.117 0.000 0.933 178 R CB 0.859 31.007 30.300 -0.253 0.000 1.146 178 R HN 0.429 nan 8.270 nan 0.000 0.468 179 N N 0.484 119.085 118.700 -0.165 0.000 1.202 179 N HA -0.329 4.411 4.740 -0.000 0.000 0.108 179 N C -0.521 174.981 175.510 -0.013 0.000 0.816 179 N CA 1.711 54.709 53.050 -0.086 0.000 0.848 179 N CB -0.471 37.948 38.487 -0.114 0.000 0.972 179 N HN 0.817 nan 8.380 nan 0.000 0.645 180 D N -0.090 120.337 120.400 0.045 0.000 3.671 180 D HA 0.228 4.868 4.640 -0.000 0.000 0.291 180 D C -2.828 173.515 176.300 0.072 0.000 1.373 180 D CA -0.746 53.273 54.000 0.032 0.000 0.753 180 D CB 0.250 41.052 40.800 0.004 0.000 1.338 180 D HN 0.277 nan 8.370 nan 0.000 0.690 181 P HA 0.147 nan 4.420 nan 0.000 0.270 181 P C 0.517 177.823 177.300 0.010 0.000 1.223 181 P CA -0.272 62.924 63.100 0.159 0.000 0.785 181 P CB 1.201 33.039 31.700 0.230 0.000 0.923 182 M N -0.229 119.376 119.600 0.008 0.000 2.449 182 M HA 0.245 4.725 4.480 -0.000 0.000 0.262 182 M C 0.392 176.619 176.300 -0.122 0.000 1.152 182 M CA 0.613 55.882 55.300 -0.051 0.000 1.104 182 M CB 0.329 32.928 32.600 -0.001 0.000 1.416 182 M HN 0.279 nan 8.290 nan 0.000 0.519 183 M N 0.692 120.216 119.600 -0.127 0.000 2.333 183 M HA 0.472 4.952 4.480 -0.000 0.000 0.286 183 M C -2.211 173.893 176.300 -0.327 0.000 1.113 183 M CA -0.181 54.936 55.300 -0.306 0.000 0.959 183 M CB 2.058 34.472 32.600 -0.311 0.000 1.776 183 M HN 0.024 nan 8.290 nan 0.000 0.492 184 I N 5.036 125.333 120.570 -0.455 0.000 2.411 184 I HA 0.339 4.509 4.170 -0.000 0.000 0.284 184 I C -1.329 174.555 176.117 -0.388 0.000 1.012 184 I CA -0.744 60.372 61.300 -0.307 0.000 1.119 184 I CB 1.218 39.015 38.000 -0.338 0.000 1.261 184 I HN 0.589 nan 8.210 nan 0.000 0.448 185 Y N 6.520 126.699 120.300 -0.202 0.000 2.393 185 Y HA 0.416 4.966 4.550 -0.000 0.000 0.338 185 Y C -0.098 175.711 175.900 -0.153 0.000 1.029 185 Y CA -0.400 57.540 58.100 -0.267 0.000 1.239 185 Y CB 0.584 38.636 38.460 -0.680 0.000 1.170 185 Y HN 0.364 nan 8.280 nan 0.000 0.515 186 L N 3.184 124.429 121.223 0.037 0.000 2.286 186 L HA 0.766 5.106 4.340 -0.000 0.000 0.265 186 L C -0.800 176.128 176.870 0.097 0.000 1.012 186 L CA -1.172 53.705 54.840 0.061 0.000 0.818 186 L CB 2.146 44.207 42.059 0.003 0.000 1.337 186 L HN 0.373 nan 8.230 nan 0.000 0.438 187 V N 2.286 122.276 119.914 0.127 0.000 2.716 187 V HA 0.413 4.533 4.120 -0.000 0.000 0.284 187 V C -1.710 174.474 176.094 0.149 0.000 1.129 187 V CA -0.506 61.861 62.300 0.111 0.000 0.926 187 V CB 1.160 33.021 31.823 0.063 0.000 1.051 187 V HN 0.753 nan 8.190 nan 0.000 0.458 188 W N 6.680 127.978 121.300 -0.003 0.000 2.449 188 W HA 0.848 5.508 4.660 -0.000 0.000 0.331 188 W C -1.019 175.501 176.519 0.002 0.000 1.119 188 W CA -0.881 56.461 57.345 -0.006 0.000 1.240 188 W CB 1.146 30.586 29.460 -0.035 0.000 1.251 188 W HN 0.563 nan 8.180 nan 0.000 0.576 189 R N 1.838 122.362 120.500 0.040 0.000 2.867 189 R HA 0.514 4.854 4.340 -0.000 0.000 0.268 189 R C -0.620 175.730 176.300 0.082 0.000 1.014 189 R CA -1.366 54.650 56.100 -0.141 0.000 0.946 189 R CB 2.592 32.854 30.300 -0.063 0.000 1.208 189 R HN 0.437 nan 8.270 nan 0.000 0.477 190 R N 1.345 121.854 120.500 0.015 0.000 2.207 190 R HA 0.323 4.663 4.340 -0.000 0.000 0.334 190 R C -0.142 176.227 176.300 0.116 0.000 1.013 190 R CA -0.359 55.824 56.100 0.138 0.000 0.858 190 R CB 0.714 31.085 30.300 0.119 0.000 1.094 190 R HN 0.460 nan 8.270 nan 0.000 0.457 191 I N 3.704 124.360 120.570 0.143 0.000 2.472 191 I HA -0.071 4.099 4.170 -0.000 0.000 0.305 191 I C 1.371 177.646 176.117 0.263 0.000 1.196 191 I CA 0.195 61.599 61.300 0.173 0.000 1.613 191 I CB 0.225 38.317 38.000 0.155 0.000 1.501 191 I HN 0.616 nan 8.210 nan 0.000 0.754 192 E N 3.960 124.265 120.200 0.174 0.000 2.273 192 E HA -0.183 4.167 4.350 -0.000 0.000 0.198 192 E C 0.533 177.214 176.600 0.134 0.000 1.002 192 E CA 1.171 57.658 56.400 0.145 0.000 0.828 192 E CB 0.114 29.860 29.700 0.077 0.000 0.747 192 E HN 0.600 nan 8.360 nan 0.000 0.491 193 N N -0.409 118.386 118.700 0.157 0.000 2.594 193 N HA 0.105 4.845 4.740 -0.000 0.000 0.280 193 N C -1.474 174.124 175.510 0.147 0.000 1.156 193 N CA -0.366 52.721 53.050 0.061 0.000 0.831 193 N CB 0.289 38.789 38.487 0.021 0.000 1.379 193 N HN -0.037 nan 8.380 nan 0.000 0.536 194 F N 1.361 121.350 119.950 0.065 0.000 2.594 194 F HA 0.906 5.433 4.527 -0.000 0.000 0.335 194 F C -0.240 175.610 175.800 0.083 0.000 1.058 194 F CA -1.223 56.831 58.000 0.090 0.000 0.981 194 F CB 0.645 39.728 39.000 0.137 0.000 1.289 194 F HN 0.230 nan 8.300 nan 0.000 0.490 195 A N 3.037 126.043 122.820 0.310 0.000 2.310 195 A HA 0.657 4.977 4.320 -0.000 0.000 0.299 195 A C -0.136 177.642 177.584 0.324 0.000 1.147 195 A CA -0.752 51.401 52.037 0.193 0.000 0.818 195 A CB 0.434 19.538 19.000 0.173 0.000 1.096 195 A HN 0.751 nan 8.150 nan 0.000 0.495 196 M N 1.332 121.025 119.600 0.156 0.000 2.245 196 M HA 0.322 4.802 4.480 -0.000 0.000 0.292 196 M C 1.691 178.117 176.300 0.210 0.000 1.176 196 M CA -0.041 55.352 55.300 0.155 0.000 1.035 196 M CB 0.718 33.281 32.600 -0.061 0.000 1.440 196 M HN 0.869 nan 8.290 nan 0.000 0.494 197 A N 0.372 123.332 122.820 0.233 0.000 2.032 197 A HA -0.174 4.146 4.320 -0.000 0.000 0.221 197 A C 1.782 179.449 177.584 0.138 0.000 1.165 197 A CA 1.597 53.781 52.037 0.244 0.000 0.645 197 A CB -0.309 18.841 19.000 0.250 0.000 0.807 197 A HN 0.780 nan 8.150 nan 0.000 0.453 198 Q N -2.689 117.159 119.800 0.080 0.000 2.297 198 Q HA 0.199 4.539 4.340 -0.000 0.000 0.203 198 Q C 1.500 177.527 176.000 0.045 0.000 0.931 198 Q CA 1.253 57.086 55.803 0.049 0.000 0.885 198 Q CB 0.548 29.295 28.738 0.015 0.000 0.991 198 Q HN 0.909 nan 8.270 nan 0.000 0.498 199 G N 1.259 110.087 108.800 0.046 0.000 2.485 199 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.181 199 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.181 199 G C -0.023 174.882 174.900 0.008 0.000 0.999 199 G CA -0.088 45.035 45.100 0.039 0.000 0.721 199 G HN 0.485 nan 8.290 nan 0.000 0.486 200 N N 0.774 119.461 118.700 -0.022 0.000 2.482 200 N HA 0.512 5.252 4.740 -0.000 0.000 0.260 200 N C 0.177 175.625 175.510 -0.102 0.000 1.236 200 N CA 0.274 53.289 53.050 -0.058 0.000 0.938 200 N CB 1.072 39.516 38.487 -0.073 0.000 1.128 200 N HN 0.058 nan 8.380 nan 0.000 0.448 201 S N 0.291 115.920 115.700 -0.118 0.000 2.548 201 S HA 0.091 4.561 4.470 -0.000 0.000 0.277 201 S C -0.216 174.207 174.600 -0.296 0.000 1.315 201 S CA -0.408 57.683 58.200 -0.182 0.000 1.050 201 S CB 0.729 63.855 63.200 -0.123 0.000 0.918 201 S HN 0.671 nan 8.310 nan 0.000 0.497 202 Q N 1.760 121.232 119.800 -0.548 0.000 2.347 202 Q HA 0.461 4.801 4.340 -0.000 0.000 0.271 202 Q C -1.355 174.207 176.000 -0.730 0.000 1.064 202 Q CA -0.540 54.843 55.803 -0.700 0.000 0.800 202 Q CB 1.443 29.583 28.738 -0.997 0.000 1.304 202 Q HN 0.552 nan 8.270 nan 0.000 0.438 203 Q N 0.586 120.190 119.800 -0.328 0.000 2.222 203 Q HA 0.583 4.923 4.340 -0.000 0.000 0.252 203 Q C -0.990 175.057 176.000 0.079 0.000 0.926 203 Q CA -0.142 55.597 55.803 -0.107 0.000 0.899 203 Q CB 1.890 30.596 28.738 -0.052 0.000 1.250 203 Q HN 0.618 nan 8.270 nan 0.000 0.441 204 T N 3.571 118.250 114.554 0.207 0.000 2.743 204 T HA 0.278 4.628 4.350 -0.000 0.000 0.292 204 T C -0.624 174.162 174.700 0.144 0.000 0.972 204 T CA -0.786 61.469 62.100 0.258 0.000 0.967 204 T CB 0.667 69.719 68.868 0.307 0.000 0.926 204 T HN 0.318 nan 8.240 nan 0.000 0.459 205 Q N 1.774 121.642 119.800 0.114 0.000 2.340 205 Q HA 0.482 4.822 4.340 -0.000 0.000 0.249 205 Q C 0.130 176.181 176.000 0.085 0.000 0.957 205 Q CA -0.431 55.419 55.803 0.079 0.000 0.882 205 Q CB 0.883 29.655 28.738 0.057 0.000 1.235 205 Q HN 0.817 nan 8.270 nan 0.000 0.439 206 A N 0.674 123.536 122.820 0.068 0.000 2.492 206 A HA 0.474 4.794 4.320 -0.000 0.000 0.254 206 A C 1.045 178.672 177.584 0.071 0.000 1.091 206 A CA 0.867 52.947 52.037 0.072 0.000 0.768 206 A CB -0.257 18.772 19.000 0.049 0.000 1.028 206 A HN 0.885 nan 8.150 nan 0.000 0.498 207 G N 1.197 110.052 108.800 0.092 0.000 3.033 207 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.208 207 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.208 207 G C 0.065 175.014 174.900 0.081 0.000 1.006 207 G CA -0.025 45.121 45.100 0.076 0.000 0.808 207 G HN 1.173 nan 8.290 nan 0.000 0.499 208 V N 3.263 123.241 119.914 0.105 0.000 2.540 208 V HA 0.472 4.592 4.120 -0.000 0.000 0.297 208 V C 0.942 177.078 176.094 0.070 0.000 1.024 208 V CA 1.029 63.371 62.300 0.070 0.000 1.105 208 V CB 0.530 32.416 31.823 0.106 0.000 0.938 208 V HN 0.752 nan 8.190 nan 0.000 0.482 209 T N 2.198 116.703 114.554 -0.081 0.000 2.908 209 T HA 0.800 5.150 4.350 -0.000 0.000 0.290 209 T C -0.845 173.599 174.700 -0.427 0.000 1.034 209 T CA -0.804 61.205 62.100 -0.152 0.000 1.010 209 T CB 1.974 70.814 68.868 -0.046 0.000 1.068 209 T HN 0.314 nan 8.240 nan 0.000 0.481 210 V N 2.436 122.004 119.914 -0.577 0.000 2.577 210 V HA 0.735 4.855 4.120 -0.000 0.000 0.303 210 V C -0.200 175.680 176.094 -0.357 0.000 1.042 210 V CA -0.839 61.058 62.300 -0.672 0.000 0.872 210 V CB 1.767 32.809 31.823 -1.302 0.000 0.998 210 V HN 1.249 nan 8.190 nan 0.000 0.423 211 S N 3.531 119.083 115.700 -0.247 0.000 2.521 211 S HA 0.818 5.288 4.470 -0.000 0.000 0.295 211 S C -0.948 173.554 174.600 -0.164 0.000 1.098 211 S CA -0.765 57.351 58.200 -0.140 0.000 0.999 211 S CB 1.880 65.046 63.200 -0.056 0.000 1.034 211 S HN 0.412 nan 8.310 nan 0.000 0.483 212 V N 2.679 122.499 119.914 -0.158 0.000 2.394 212 V HA 0.655 4.775 4.120 -0.000 0.000 0.282 212 V C 1.373 177.413 176.094 -0.089 0.000 1.031 212 V CA 0.190 62.374 62.300 -0.193 0.000 0.881 212 V CB 0.384 32.075 31.823 -0.221 0.000 0.982 212 V HN 1.536 nan 8.190 nan 0.000 0.451 213 G N 3.650 112.411 108.800 -0.065 0.000 2.309 213 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.286 213 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.286 213 G C 1.141 176.022 174.900 -0.031 0.000 1.002 213 G CA 1.193 46.281 45.100 -0.020 0.000 0.786 213 G HN 2.059 nan 8.290 nan 0.000 0.511 214 G N -2.426 106.346 108.800 -0.046 0.000 2.792 214 G HA2 0.021 3.981 3.960 -0.000 0.000 0.201 214 G HA3 0.021 3.981 3.960 -0.000 0.000 0.201 214 G C 0.811 175.693 174.900 -0.030 0.000 1.322 214 G CA 0.709 45.785 45.100 -0.041 0.000 0.910 214 G HN 1.835 nan 8.290 nan 0.000 0.535 215 V N 2.601 122.501 119.914 -0.023 0.000 2.655 215 V HA 0.462 4.582 4.120 -0.000 0.000 0.300 215 V C 0.244 176.327 176.094 -0.018 0.000 1.044 215 V CA 0.763 63.055 62.300 -0.013 0.000 1.095 215 V CB 1.258 33.079 31.823 -0.002 0.000 0.952 215 V HN 0.500 nan 8.190 nan 0.000 0.485 216 D N 6.164 126.562 120.400 -0.003 0.000 2.312 216 D HA 0.332 4.972 4.640 -0.000 0.000 0.252 216 D C -0.214 176.109 176.300 0.039 0.000 1.150 216 D CA -0.295 53.707 54.000 0.004 0.000 0.870 216 D CB 0.586 41.397 40.800 0.018 0.000 1.153 216 D HN 0.418 nan 8.370 nan 0.000 0.457 217 M N 2.768 122.403 119.600 0.059 0.000 2.404 217 M HA 0.381 4.861 4.480 -0.000 0.000 0.338 217 M C 0.456 176.952 176.300 0.327 0.000 1.150 217 M CA -0.507 54.884 55.300 0.151 0.000 1.016 217 M CB 1.633 34.316 32.600 0.139 0.000 1.672 217 M HN 0.351 nan 8.290 nan 0.000 0.448 218 R N 0.614 121.259 120.500 0.241 0.000 2.726 218 R HA 0.611 4.951 4.340 -0.000 0.000 0.272 218 R C -0.050 176.281 176.300 0.052 0.000 1.097 218 R CA -0.376 55.829 56.100 0.176 0.000 1.198 218 R CB 0.532 30.859 30.300 0.046 0.000 1.114 218 R HN 0.810 nan 8.270 nan 0.000 0.550 219 A N 0.150 122.744 122.820 -0.376 0.000 2.309 219 A HA 0.501 4.821 4.320 -0.000 0.000 0.298 219 A C 0.825 178.063 177.584 -0.578 0.000 1.165 219 A CA 0.241 51.593 52.037 -1.141 0.000 0.821 219 A CB 0.703 18.845 19.000 -1.430 0.000 1.102 219 A HN 0.841 nan 8.150 nan 0.000 0.500 220 G N 0.889 109.378 108.800 -0.518 0.000 2.141 220 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.242 220 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.242 220 G C 0.144 174.969 174.900 -0.126 0.000 0.982 220 G CA 0.558 45.510 45.100 -0.246 0.000 0.662 220 G HN 0.864 nan 8.290 nan 0.000 0.527 221 R N -0.471 119.968 120.500 -0.101 0.000 2.670 221 R HA 0.734 5.074 4.340 -0.000 0.000 0.289 221 R C 0.751 177.069 176.300 0.032 0.000 0.965 221 R CA -0.855 55.235 56.100 -0.016 0.000 0.899 221 R CB 0.833 31.134 30.300 0.002 0.000 1.173 221 R HN 0.241 nan 8.270 nan 0.000 0.456 222 I N 3.983 124.586 120.570 0.055 0.000 2.692 222 I HA 0.155 4.325 4.170 -0.000 0.000 0.284 222 I C 0.060 176.241 176.117 0.106 0.000 1.159 222 I CA 0.422 61.775 61.300 0.087 0.000 1.423 222 I CB 0.422 38.479 38.000 0.096 0.000 1.380 222 I HN 0.382 nan 8.210 nan 0.000 0.580 223 I N 5.485 126.123 120.570 0.112 0.000 2.468 223 I HA 0.345 4.515 4.170 -0.000 0.000 0.285 223 I C 0.100 176.254 176.117 0.062 0.000 1.039 223 I CA -0.652 60.701 61.300 0.087 0.000 1.074 223 I CB 1.756 39.788 38.000 0.052 0.000 1.228 223 I HN 0.594 nan 8.210 nan 0.000 0.436 224 A N 6.424 129.284 122.820 0.067 0.000 2.438 224 A HA 0.220 4.540 4.320 -0.000 0.000 0.280 224 A C -1.143 176.412 177.584 -0.048 0.000 1.160 224 A CA 0.104 52.084 52.037 -0.095 0.000 0.821 224 A CB -0.155 18.865 19.000 0.034 0.000 1.101 224 A HN 0.706 nan 8.150 nan 0.000 0.515 225 W N 4.131 125.202 121.300 -0.381 0.000 2.587 225 W HA 0.404 5.064 4.660 -0.000 0.000 0.324 225 W C 0.308 176.650 176.519 -0.295 0.000 1.040 225 W CA -1.349 55.815 57.345 -0.301 0.000 1.222 225 W CB 1.340 30.599 29.460 -0.334 0.000 1.381 225 W HN 0.789 nan 8.180 nan 0.000 0.483 226 D N 2.781 122.958 120.400 -0.371 0.000 2.349 226 D HA 0.052 4.692 4.640 -0.000 0.000 0.224 226 D C 1.490 177.292 176.300 -0.830 0.000 1.029 226 D CA 0.708 54.423 54.000 -0.476 0.000 0.879 226 D CB -0.074 40.596 40.800 -0.217 0.000 0.906 226 D HN 0.824 nan 8.370 nan 0.000 0.528 227 G N 0.927 108.587 108.800 -1.900 0.000 2.220 227 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.269 227 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.269 227 G C 1.190 175.574 174.900 -0.861 0.000 0.977 227 G CA 0.624 44.570 45.100 -1.924 0.000 0.634 227 G HN 0.386 nan 8.290 nan 0.000 0.539 228 Q N -0.325 119.218 119.800 -0.428 0.000 2.442 228 Q HA 0.503 4.843 4.340 -0.000 0.000 0.228 228 Q C 1.898 177.971 176.000 0.122 0.000 0.902 228 Q CA 0.859 56.609 55.803 -0.089 0.000 0.933 228 Q CB -0.261 28.423 28.738 -0.090 0.000 1.071 228 Q HN 1.000 nan 8.270 nan 0.000 0.562 229 A N 1.537 124.506 122.820 0.249 0.000 2.455 229 A HA 0.378 4.697 4.320 -0.000 0.000 0.244 229 A C 0.128 177.865 177.584 0.254 0.000 1.099 229 A CA 0.473 52.667 52.037 0.261 0.000 0.786 229 A CB -0.041 19.116 19.000 0.262 0.000 1.051 229 A HN 0.263 nan 8.150 nan 0.000 0.508 230 A N 0.230 123.099 122.820 0.082 0.000 2.376 230 A HA 0.473 4.793 4.320 -0.000 0.000 0.298 230 A C -0.155 177.365 177.584 -0.106 0.000 1.271 230 A CA -0.294 51.747 52.037 0.007 0.000 0.926 230 A CB -0.520 18.462 19.000 -0.029 0.000 1.141 230 A HN 1.167 nan 8.150 nan 0.000 0.539 231 L N 4.119 125.222 121.223 -0.201 0.000 2.356 231 L HA 0.316 4.656 4.340 -0.000 0.000 0.282 231 L C -0.199 176.558 176.870 -0.188 0.000 1.132 231 L CA 0.087 54.684 54.840 -0.405 0.000 0.923 231 L CB -0.501 41.115 42.059 -0.738 0.000 1.278 231 L HN 0.705 nan 8.230 nan 0.000 0.436 232 H N 2.832 121.745 119.070 -0.263 0.000 2.467 232 H HA 0.637 5.193 4.556 -0.000 0.000 0.326 232 H C -1.129 174.048 175.328 -0.252 0.000 1.094 232 H CA -0.515 55.409 56.048 -0.207 0.000 1.253 232 H CB 1.315 30.985 29.762 -0.152 0.000 1.439 232 H HN 0.316 nan 8.280 nan 0.000 0.479 233 V N 6.782 126.316 119.914 -0.633 0.000 2.448 233 V HA 0.494 4.614 4.120 -0.000 0.000 0.295 233 V C 0.057 175.787 176.094 -0.607 0.000 1.025 233 V CA -0.753 61.214 62.300 -0.556 0.000 0.859 233 V CB 1.382 32.959 31.823 -0.411 0.000 0.988 233 V HN 0.777 nan 8.190 nan 0.000 0.431 234 R N 2.917 123.162 120.500 -0.425 0.000 2.832 234 R HA 0.570 4.910 4.340 -0.000 0.000 0.271 234 R C -0.682 175.523 176.300 -0.158 0.000 0.996 234 R CA -0.848 55.090 56.100 -0.270 0.000 0.977 234 R CB 1.649 31.854 30.300 -0.159 0.000 1.168 234 R HN 0.648 nan 8.270 nan 0.000 0.482 235 N N 1.845 120.491 118.700 -0.090 0.000 2.707 235 N HA 0.187 4.927 4.740 -0.000 0.000 0.249 235 N C -2.276 173.230 175.510 -0.007 0.000 1.299 235 N CA -1.858 51.171 53.050 -0.035 0.000 0.769 235 N CB 1.246 39.724 38.487 -0.016 0.000 1.236 235 N HN 0.292 nan 8.380 nan 0.000 0.524 236 P HA 0.026 nan 4.420 nan 0.000 0.245 236 P C 0.151 177.461 177.300 0.018 0.000 1.212 236 P CA 0.272 63.377 63.100 0.010 0.000 0.774 236 P CB 0.247 31.953 31.700 0.011 0.000 0.999 237 T N 1.863 116.433 114.554 0.026 0.000 2.907 237 T HA 0.086 4.436 4.350 -0.000 0.000 0.298 237 T C 1.050 175.768 174.700 0.030 0.000 1.017 237 T CA -0.032 62.088 62.100 0.033 0.000 1.118 237 T CB 0.394 69.291 68.868 0.048 0.000 0.948 237 T HN 0.001 nan 8.240 nan 0.000 0.531 238 Q N 3.088 122.902 119.800 0.023 0.000 2.292 238 Q HA 0.223 4.563 4.340 -0.000 0.000 0.247 238 Q C 0.172 176.180 176.000 0.013 0.000 0.911 238 Q CA 0.383 56.195 55.803 0.016 0.000 0.948 238 Q CB 0.021 28.765 28.738 0.009 0.000 1.093 238 Q HN 0.629 nan 8.270 nan 0.000 0.428 239 Q N -0.400 119.416 119.800 0.027 0.000 2.707 239 Q HA 0.323 4.663 4.340 -0.000 0.000 0.307 239 Q C -1.022 175.011 176.000 0.056 0.000 0.934 239 Q CA -0.858 54.959 55.803 0.023 0.000 0.753 239 Q CB 1.351 30.103 28.738 0.024 0.000 1.478 239 Q HN 0.188 nan 8.270 nan 0.000 0.458 240 N N 0.006 118.734 118.700 0.046 0.000 2.488 240 N HA 0.484 5.224 4.740 -0.000 0.000 0.274 240 N C -1.136 174.567 175.510 0.321 0.000 1.111 240 N CA 0.005 53.117 53.050 0.103 0.000 0.974 240 N CB 1.214 39.558 38.487 -0.238 0.000 1.089 240 N HN 0.507 nan 8.380 nan 0.000 0.465 241 A N 2.314 125.309 122.820 0.292 0.000 2.386 241 A HA 0.846 5.166 4.320 -0.000 0.000 0.308 241 A C -0.784 176.779 177.584 -0.035 0.000 1.128 241 A CA -0.637 51.520 52.037 0.200 0.000 0.789 241 A CB 1.179 20.260 19.000 0.136 0.000 1.325 241 A HN 0.603 nan 8.150 nan 0.000 0.437 242 M N 1.541 121.032 119.600 -0.180 0.000 2.255 242 M HA 0.417 4.897 4.480 -0.000 0.000 0.275 242 M C -1.260 174.996 176.300 -0.073 0.000 1.050 242 M CA -0.562 54.559 55.300 -0.299 0.000 0.978 242 M CB 2.176 34.325 32.600 -0.751 0.000 1.761 242 M HN 0.747 nan 8.290 nan 0.000 0.479 243 V N 1.234 121.130 119.914 -0.030 0.000 2.823 243 V HA 0.746 4.866 4.120 -0.000 0.000 0.312 243 V C -0.968 175.166 176.094 0.066 0.000 1.072 243 V CA -0.742 61.616 62.300 0.097 0.000 0.937 243 V CB 1.857 33.794 31.823 0.189 0.000 1.013 243 V HN 0.940 nan 8.190 nan 0.000 0.430 244 Q N 3.246 123.121 119.800 0.125 0.000 2.316 244 Q HA 0.780 5.120 4.340 -0.000 0.000 0.264 244 Q C -1.263 174.835 176.000 0.163 0.000 0.987 244 Q CA -0.733 55.126 55.803 0.094 0.000 0.852 244 Q CB 2.368 31.150 28.738 0.072 0.000 1.287 244 Q HN 0.792 nan 8.270 nan 0.000 0.448 245 I N 2.557 123.213 120.570 0.144 0.000 2.339 245 I HA 0.254 4.424 4.170 -0.000 0.000 0.290 245 I C -0.346 175.900 176.117 0.215 0.000 0.994 245 I CA -0.663 60.761 61.300 0.207 0.000 1.191 245 I CB 1.777 39.903 38.000 0.210 0.000 1.343 245 I HN 0.685 nan 8.210 nan 0.000 0.458 246 Q N 5.439 125.361 119.800 0.203 0.000 2.282 246 Q HA 0.455 4.795 4.340 -0.000 0.000 0.260 246 Q C -1.275 174.853 176.000 0.213 0.000 0.964 246 Q CA -0.691 55.234 55.803 0.203 0.000 0.880 246 Q CB 2.301 31.134 28.738 0.159 0.000 1.286 246 Q HN 0.515 nan 8.270 nan 0.000 0.445 247 V N 5.823 125.886 119.914 0.248 0.000 2.218 247 V HA 0.032 4.152 4.120 -0.000 0.000 0.261 247 V C 1.104 177.339 176.094 0.235 0.000 1.142 247 V CA -0.043 62.378 62.300 0.203 0.000 0.965 247 V CB 0.412 32.334 31.823 0.164 0.000 1.190 247 V HN 0.834 nan 8.190 nan 0.000 0.478 248 V N 5.793 125.823 119.914 0.194 0.000 2.324 248 V HA -0.086 4.034 4.120 -0.000 0.000 0.250 248 V C 0.503 176.852 176.094 0.425 0.000 1.060 248 V CA 2.489 64.944 62.300 0.258 0.000 1.042 248 V CB -0.198 31.759 31.823 0.222 0.000 0.650 248 V HN 0.852 nan 8.190 nan 0.000 0.450 249 F N -2.002 118.127 119.950 0.298 0.000 2.799 249 F HA 0.618 5.145 4.527 -0.000 0.000 0.316 249 F C -1.298 174.814 175.800 0.520 0.000 1.155 249 F CA -1.562 56.647 58.000 0.349 0.000 0.916 249 F CB 0.677 39.774 39.000 0.163 0.000 1.294 249 F HN 0.166 nan 8.300 nan 0.000 0.447 250 Y N 1.502 122.081 120.300 0.465 0.000 2.597 250 Y HA 0.843 5.393 4.550 -0.000 0.000 0.340 250 Y C -1.244 174.892 175.900 0.394 0.000 1.097 250 Y CA -2.590 55.721 58.100 0.352 0.000 1.037 250 Y CB 1.177 39.791 38.460 0.258 0.000 1.305 250 Y HN 0.889 nan 8.280 nan 0.000 0.463 251 I N 1.381 122.119 120.570 0.280 0.000 2.493 251 I HA 0.952 5.122 4.170 -0.000 0.000 0.298 251 I C -0.540 175.641 176.117 0.107 0.000 0.998 251 I CA -0.797 60.584 61.300 0.136 0.000 1.137 251 I CB 2.131 40.272 38.000 0.235 0.000 1.310 251 I HN 0.833 nan 8.210 nan 0.000 0.445 252 S N 4.544 120.270 115.700 0.043 0.000 2.607 252 S HA 0.499 4.969 4.470 -0.000 0.000 0.273 252 S C -0.077 174.568 174.600 0.075 0.000 1.148 252 S CA -0.993 57.254 58.200 0.078 0.000 0.833 252 S CB 1.963 65.229 63.200 0.110 0.000 1.130 252 S HN 0.775 nan 8.310 nan 0.000 0.470 253 M N 1.395 121.049 119.600 0.090 0.000 2.654 253 M HA 0.154 4.634 4.480 -0.000 0.000 0.217 253 M C -0.674 175.753 176.300 0.211 0.000 1.183 253 M CA 0.289 55.678 55.300 0.149 0.000 0.991 253 M CB -0.749 31.924 32.600 0.122 0.000 1.749 253 M HN 0.522 nan 8.290 nan 0.000 0.475 254 D N 1.985 122.469 120.400 0.141 0.000 2.264 254 D HA 0.156 4.796 4.640 -0.000 0.000 0.250 254 D C 0.103 176.469 176.300 0.110 0.000 1.113 254 D CA -0.121 53.964 54.000 0.140 0.000 0.871 254 D CB 1.092 41.958 40.800 0.110 0.000 1.167 254 D HN -0.069 nan 8.370 nan 0.000 0.447 255 K N 1.643 122.108 120.400 0.109 0.000 2.484 255 K HA 0.100 4.420 4.320 -0.000 0.000 0.280 255 K C 0.748 177.389 176.600 0.068 0.000 1.013 255 K CA 0.063 56.393 56.287 0.073 0.000 1.029 255 K CB 0.327 32.858 32.500 0.052 0.000 0.902 255 K HN 0.545 nan 8.250 nan 0.000 0.481 256 T N -1.490 113.088 114.554 0.041 0.000 2.844 256 T HA 0.328 4.678 4.350 -0.000 0.000 0.274 256 T C 1.054 175.770 174.700 0.026 0.000 0.991 256 T CA -0.883 61.227 62.100 0.017 0.000 0.983 256 T CB 0.539 69.391 68.868 -0.028 0.000 1.310 256 T HN 0.164 nan 8.240 nan 0.000 0.596 257 L N 0.644 121.871 121.223 0.006 0.000 2.551 257 L HA 0.264 4.604 4.340 -0.000 0.000 0.228 257 L C 1.194 178.083 176.870 0.032 0.000 1.153 257 L CA 1.092 55.948 54.840 0.026 0.000 0.851 257 L CB -1.371 40.692 42.059 0.006 0.000 0.959 257 L HN 0.626 nan 8.230 nan 0.000 0.451 258 N N -1.470 117.237 118.700 0.011 0.000 2.321 258 N HA 0.011 4.751 4.740 -0.000 0.000 0.242 258 N C 1.396 176.915 175.510 0.016 0.000 1.141 258 N CA -0.129 52.923 53.050 0.003 0.000 0.864 258 N CB 0.310 38.780 38.487 -0.029 0.000 1.100 258 N HN 0.451 nan 8.380 nan 0.000 0.510 259 Q N -0.462 119.368 119.800 0.050 0.000 2.187 259 Q HA -0.088 4.252 4.340 -0.000 0.000 0.199 259 Q C -0.202 175.858 176.000 0.100 0.000 0.957 259 Q CA 0.825 56.665 55.803 0.061 0.000 0.857 259 Q CB 0.063 28.841 28.738 0.067 0.000 0.929 259 Q HN 0.430 nan 8.270 nan 0.000 0.453 260 Y N 2.020 122.320 120.300 -0.001 0.000 2.406 260 Y HA 0.382 4.932 4.550 -0.000 0.000 0.340 260 Y C -2.602 173.302 175.900 0.007 0.000 0.975 260 Y CA -3.088 55.013 58.100 0.003 0.000 1.056 260 Y CB 1.800 40.264 38.460 0.007 0.000 1.210 260 Y HN -0.055 nan 8.280 nan 0.000 0.448 261 P HA -0.051 nan 4.420 nan 0.000 0.255 261 P C 0.061 177.334 177.300 -0.045 0.000 1.161 261 P CA 1.613 64.541 63.100 -0.286 0.000 0.768 261 P CB 0.256 31.711 31.700 -0.408 0.000 0.746 262 A N 3.161 125.992 122.820 0.017 0.000 2.665 262 A HA -0.216 4.104 4.320 -0.000 0.000 0.301 262 A C 1.322 178.999 177.584 0.155 0.000 1.509 262 A CA 0.808 52.889 52.037 0.074 0.000 0.789 262 A CB -2.204 16.832 19.000 0.061 0.000 1.024 262 A HN 0.676 nan 8.150 nan 0.000 0.460 263 L N -0.853 120.488 121.223 0.197 0.000 2.131 263 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 263 L C 2.541 179.508 176.870 0.161 0.000 1.092 263 L CA 2.480 57.454 54.840 0.223 0.000 0.759 263 L CB -0.559 41.627 42.059 0.211 0.000 0.903 263 L HN 0.764 nan 8.230 nan 0.000 0.435 264 T N 0.091 114.722 114.554 0.128 0.000 2.607 264 T HA -0.260 4.090 4.350 -0.000 0.000 0.267 264 T C 1.908 176.715 174.700 0.178 0.000 1.049 264 T CA 1.573 63.745 62.100 0.120 0.000 1.162 264 T CB -0.539 68.368 68.868 0.064 0.000 0.863 264 T HN 0.539 nan 8.240 nan 0.000 0.424 265 A N 1.758 124.681 122.820 0.172 0.000 1.933 265 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 265 A C 2.352 180.078 177.584 0.237 0.000 1.175 265 A CA 1.380 53.559 52.037 0.236 0.000 0.628 265 A CB -0.467 18.639 19.000 0.176 0.000 0.814 265 A HN 0.401 nan 8.150 nan 0.000 0.444 266 E N -0.023 120.287 120.200 0.182 0.000 2.110 266 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 266 E C 1.971 178.668 176.600 0.162 0.000 0.988 266 E CA 1.167 57.654 56.400 0.144 0.000 0.804 266 E CB -0.389 29.383 29.700 0.120 0.000 0.745 266 E HN 0.759 nan 8.360 nan 0.000 0.458 267 I N 0.401 121.102 120.570 0.219 0.000 2.193 267 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 267 I C 2.372 178.742 176.117 0.422 0.000 1.084 267 I CA 0.773 62.256 61.300 0.306 0.000 1.365 267 I CB -0.339 37.849 38.000 0.313 0.000 1.064 267 I HN -0.018 nan 8.210 nan 0.000 0.410 268 F N 2.354 122.441 119.950 0.228 0.000 2.120 268 F HA -0.324 4.203 4.527 -0.000 0.000 0.300 268 F C 2.330 178.267 175.800 0.227 0.000 1.095 268 F CA 1.973 60.104 58.000 0.218 0.000 1.249 268 F CB -0.911 38.166 39.000 0.128 0.000 0.995 268 F HN 0.162 nan 8.300 nan 0.000 0.480 269 N N 0.493 119.182 118.700 -0.018 0.000 2.069 269 N HA -0.179 4.561 4.740 -0.000 0.000 0.191 269 N C 1.799 177.298 175.510 -0.017 0.000 1.031 269 N CA 2.376 55.341 53.050 -0.141 0.000 0.852 269 N CB -0.165 38.306 38.487 -0.028 0.000 1.018 269 N HN 0.292 nan 8.380 nan 0.000 0.423 270 V N 0.036 120.008 119.914 0.096 0.000 2.427 270 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 270 V C 1.556 177.732 176.094 0.136 0.000 1.051 270 V CA 1.295 63.685 62.300 0.150 0.000 1.048 270 V CB -1.004 30.816 31.823 -0.005 0.000 0.666 270 V HN 0.288 nan 8.190 nan 0.000 0.456 271 Y N 0.684 121.103 120.300 0.197 0.000 2.578 271 Y HA 0.133 4.683 4.550 -0.000 0.000 0.297 271 Y C 1.677 177.773 175.900 0.326 0.000 1.176 271 Y CA -0.069 58.183 58.100 0.253 0.000 1.315 271 Y CB -0.301 38.315 38.460 0.260 0.000 1.031 271 Y HN 0.153 nan 8.280 nan 0.000 0.524 272 S N -0.091 115.786 115.700 0.296 0.000 2.603 272 S HA 0.020 4.490 4.470 -0.000 0.000 0.268 272 S C 0.848 175.752 174.600 0.507 0.000 1.317 272 S CA -0.661 57.678 58.200 0.231 0.000 1.012 272 S CB 0.608 63.707 63.200 -0.169 0.000 0.926 272 S HN 0.314 nan 8.310 nan 0.000 0.539 273 F N 2.070 122.215 119.950 0.325 0.000 2.094 273 F HA 0.057 4.584 4.527 -0.000 0.000 0.291 273 F C 1.852 177.817 175.800 0.274 0.000 1.109 273 F CA 1.557 59.736 58.000 0.299 0.000 1.221 273 F CB -0.126 38.988 39.000 0.190 0.000 1.014 273 F HN 0.722 nan 8.300 nan 0.000 0.473 274 R N -0.313 120.167 120.500 -0.034 0.000 1.619 274 R HA -0.310 4.030 4.340 -0.000 0.000 0.059 274 R C -0.625 175.408 176.300 -0.445 0.000 0.951 274 R CA 2.053 58.025 56.100 -0.213 0.000 1.904 274 R CB -2.137 27.958 30.300 -0.342 0.000 0.286 274 R HN 0.569 nan 8.270 nan 0.000 0.719 275 D N -2.186 117.742 120.400 -0.786 0.000 2.615 275 D HA 0.301 4.941 4.640 -0.000 0.000 0.267 275 D C 0.114 175.810 176.300 -1.008 0.000 1.236 275 D CA -0.502 52.974 54.000 -0.874 0.000 0.839 275 D CB 0.177 40.841 40.800 -0.227 0.000 1.380 275 D HN 0.297 nan 8.370 nan 0.000 0.433 276 H N -0.801 118.039 119.070 -0.383 0.000 2.352 276 H HA -0.075 4.481 4.556 -0.000 0.000 0.299 276 H C 1.417 176.669 175.328 -0.127 0.000 1.097 276 H CA 2.473 58.469 56.048 -0.086 0.000 1.311 276 H CB -0.159 29.646 29.762 0.072 0.000 1.377 276 H HN 0.444 nan 8.280 nan 0.000 0.504 277 T N 0.541 115.074 114.554 -0.036 0.000 2.803 277 T HA -0.229 4.121 4.350 -0.000 0.000 0.269 277 T C 1.702 176.293 174.700 -0.181 0.000 1.052 277 T CA 1.284 63.294 62.100 -0.150 0.000 1.136 277 T CB -0.261 68.500 68.868 -0.179 0.000 0.864 277 T HN 0.566 nan 8.240 nan 0.000 0.467 278 W N 1.301 122.327 121.300 -0.456 0.000 2.452 278 W HA -0.177 4.483 4.660 -0.000 0.000 0.313 278 W C 2.311 178.623 176.519 -0.345 0.000 1.176 278 W CA 1.310 58.271 57.345 -0.639 0.000 1.350 278 W CB -0.714 28.202 29.460 -0.907 0.000 1.148 278 W HN 0.321 nan 8.180 nan 0.000 0.498 279 H N 0.144 118.854 119.070 -0.600 0.000 2.272 279 H HA -0.222 4.334 4.556 -0.000 0.000 0.289 279 H C 2.382 177.434 175.328 -0.461 0.000 1.100 279 H CA 3.384 59.129 56.048 -0.505 0.000 1.209 279 H CB -0.892 28.788 29.762 -0.137 0.000 1.348 279 H HN 0.209 nan 8.280 nan 0.000 0.481 280 G N 0.755 109.385 108.800 -0.283 0.000 2.421 280 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 280 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 280 G C 1.854 176.554 174.900 -0.334 0.000 1.171 280 G CA 0.653 45.588 45.100 -0.275 0.000 0.775 280 G HN 0.442 nan 8.290 nan 0.000 0.543 281 L N 0.658 121.671 121.223 -0.350 0.000 2.012 281 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 281 L C 2.821 179.409 176.870 -0.469 0.000 1.073 281 L CA 2.083 56.751 54.840 -0.288 0.000 0.748 281 L CB -0.506 41.487 42.059 -0.110 0.000 0.891 281 L HN 0.257 nan 8.230 nan 0.000 0.431 282 R N -0.579 119.383 120.500 -0.896 0.000 2.081 282 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 282 R C 1.953 177.924 176.300 -0.548 0.000 1.131 282 R CA 2.080 57.632 56.100 -0.913 0.000 0.960 282 R CB -0.510 28.931 30.300 -1.432 0.000 0.856 282 R HN 0.374 nan 8.270 nan 0.000 0.436 283 T N 1.146 115.382 114.554 -0.530 0.000 2.643 283 T HA -0.079 4.271 4.350 -0.000 0.000 0.264 283 T C 1.899 176.453 174.700 -0.242 0.000 1.045 283 T CA 1.735 63.611 62.100 -0.374 0.000 1.155 283 T CB -0.462 68.156 68.868 -0.417 0.000 0.863 283 T HN 0.458 nan 8.240 nan 0.000 0.420 284 A N 0.880 123.570 122.820 -0.215 0.000 1.986 284 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 284 A C 2.257 179.777 177.584 -0.106 0.000 1.171 284 A CA 1.352 53.313 52.037 -0.126 0.000 0.640 284 A CB -0.865 18.081 19.000 -0.091 0.000 0.811 284 A HN 0.577 nan 8.150 nan 0.000 0.451 285 I N -1.548 118.936 120.570 -0.145 0.000 2.333 285 I HA -0.162 4.008 4.170 -0.000 0.000 0.246 285 I C 2.578 178.634 176.117 -0.101 0.000 1.106 285 I CA 0.934 62.167 61.300 -0.112 0.000 1.411 285 I CB -0.287 37.633 38.000 -0.134 0.000 1.082 285 I HN 0.240 nan 8.210 nan 0.000 0.420 286 R N 0.798 121.218 120.500 -0.134 0.000 2.235 286 R HA -0.050 4.290 4.340 -0.000 0.000 0.213 286 R C 1.604 177.868 176.300 -0.060 0.000 1.059 286 R CA 0.593 56.633 56.100 -0.101 0.000 0.997 286 R CB -0.265 29.957 30.300 -0.129 0.000 0.884 286 R HN 0.378 nan 8.270 nan 0.000 0.462 287 N N 0.556 119.218 118.700 -0.063 0.000 2.512 287 N HA -0.090 4.650 4.740 -0.000 0.000 0.183 287 N C 1.116 176.611 175.510 -0.025 0.000 1.073 287 N CA 0.867 53.894 53.050 -0.038 0.000 0.911 287 N CB 0.101 38.563 38.487 -0.041 0.000 0.964 287 N HN 0.014 nan 8.380 nan 0.000 0.447 288 R N -0.177 120.306 120.500 -0.029 0.000 2.300 288 R HA 0.136 4.476 4.340 -0.000 0.000 0.199 288 R C 0.514 176.805 176.300 -0.015 0.000 0.920 288 R CA 0.212 56.300 56.100 -0.019 0.000 1.046 288 R CB -0.028 30.260 30.300 -0.020 0.000 0.984 288 R HN 0.267 nan 8.270 nan 0.000 0.493 289 T N -4.516 110.028 114.554 -0.016 0.000 2.927 289 T HA 0.224 4.574 4.350 -0.000 0.000 0.286 289 T C 1.149 175.852 174.700 0.006 0.000 1.040 289 T CA -0.295 61.800 62.100 -0.007 0.000 1.010 289 T CB 1.610 70.471 68.868 -0.013 0.000 1.177 289 T HN 0.083 nan 8.240 nan 0.000 0.546 290 T N -0.967 113.596 114.554 0.016 0.000 3.148 290 T HA 0.190 4.540 4.350 -0.000 0.000 0.253 290 T C 0.603 175.333 174.700 0.050 0.000 1.134 290 T CA -0.197 61.921 62.100 0.030 0.000 1.051 290 T CB -0.340 68.546 68.868 0.030 0.000 0.959 290 T HN 0.287 nan 8.240 nan 0.000 0.525 291 L N 3.172 124.426 121.223 0.051 0.000 2.371 291 L HA 0.430 4.770 4.340 -0.000 0.000 0.272 291 L C -2.105 174.827 176.870 0.104 0.000 1.124 291 L CA -2.882 52.013 54.840 0.091 0.000 0.816 291 L CB 0.382 42.495 42.059 0.089 0.000 1.129 291 L HN 0.058 nan 8.230 nan 0.000 0.448 292 P HA 0.032 nan 4.420 nan 0.000 0.266 292 P C 0.209 177.635 177.300 0.211 0.000 1.215 292 P CA -0.211 62.990 63.100 0.168 0.000 0.763 292 P CB 0.278 32.081 31.700 0.172 0.000 0.806 293 N N 4.322 123.082 118.700 0.099 0.000 2.430 293 N HA -0.188 4.552 4.740 -0.000 0.000 0.186 293 N C 1.038 176.569 175.510 0.036 0.000 1.032 293 N CA 1.569 54.627 53.050 0.012 0.000 0.893 293 N CB -0.692 37.763 38.487 -0.053 0.000 0.957 293 N HN 0.579 nan 8.380 nan 0.000 0.442 294 M N -3.202 116.541 119.600 0.237 0.000 2.722 294 M HA 0.384 4.864 4.480 -0.000 0.000 0.451 294 M C -1.128 175.493 176.300 0.534 0.000 1.225 294 M CA -0.275 55.237 55.300 0.352 0.000 0.874 294 M CB 0.698 33.360 32.600 0.103 0.000 1.736 294 M HN -0.171 nan 8.290 nan 0.000 0.584 295 L N 2.120 123.550 121.223 0.345 0.000 2.464 295 L HA 0.652 4.992 4.340 -0.000 0.000 0.266 295 L C -2.594 173.987 176.870 -0.482 0.000 0.965 295 L CA -1.728 53.087 54.840 -0.042 0.000 0.833 295 L CB 2.686 44.768 42.059 0.037 0.000 1.296 295 L HN -0.160 nan 8.230 nan 0.000 0.405 296 P HA -0.029 nan 4.420 nan 0.000 0.259 296 P C -2.311 174.832 177.300 -0.263 0.000 1.163 296 P CA -0.419 62.231 63.100 -0.749 0.000 0.760 296 P CB -0.235 31.214 31.700 -0.419 0.000 0.762 297 P HA 0.022 nan 4.420 nan 0.000 0.267 297 P C 0.602 177.889 177.300 -0.022 0.000 1.209 297 P CA 0.114 63.228 63.100 0.023 0.000 0.763 297 P CB 0.582 32.352 31.700 0.116 0.000 0.816 298 I N 2.856 123.385 120.570 -0.068 0.000 2.264 298 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 298 I C 1.104 176.987 176.117 -0.390 0.000 1.111 298 I CA 1.551 62.693 61.300 -0.263 0.000 1.382 298 I CB -0.834 36.924 38.000 -0.404 0.000 1.060 298 I HN 0.224 nan 8.210 nan 0.000 0.418 299 F N 2.338 122.341 119.950 0.089 0.000 2.426 299 F HA 0.398 4.925 4.527 -0.000 0.000 0.348 299 F C -1.977 173.871 175.800 0.081 0.000 1.124 299 F CA -3.094 54.967 58.000 0.102 0.000 1.008 299 F CB 0.366 39.420 39.000 0.090 0.000 1.139 299 F HN -0.185 nan 8.300 nan 0.000 0.452 300 P HA 0.083 nan 4.420 nan 0.000 0.262 300 P C -2.518 174.871 177.300 0.148 0.000 1.199 300 P CA -0.753 62.438 63.100 0.151 0.000 0.763 300 P CB 0.174 31.942 31.700 0.113 0.000 0.790 301 P HA 0.007 nan 4.420 nan 0.000 0.272 301 P C 0.732 178.066 177.300 0.057 0.000 1.248 301 P CA 0.202 63.353 63.100 0.086 0.000 0.799 301 P CB 0.318 32.060 31.700 0.070 0.000 0.997 302 N N -1.088 117.629 118.700 0.029 0.000 2.039 302 N HA 0.020 4.760 4.740 -0.000 0.000 0.228 302 N C -1.109 174.373 175.510 -0.046 0.000 1.369 302 N CA -0.174 52.872 53.050 -0.006 0.000 0.806 302 N CB 0.382 38.872 38.487 0.005 0.000 1.190 302 N HN 0.384 nan 8.380 nan 0.000 0.506 303 D N 0.487 120.869 120.400 -0.030 0.000 2.198 303 D HA 0.185 4.825 4.640 -0.000 0.000 0.247 303 D C 0.844 177.114 176.300 -0.049 0.000 1.010 303 D CA -0.628 53.344 54.000 -0.046 0.000 0.880 303 D CB 2.860 43.644 40.800 -0.027 0.000 1.209 303 D HN -0.115 nan 8.370 nan 0.000 0.451 304 R N 1.096 121.559 120.500 -0.061 0.000 2.112 304 R HA -0.210 4.130 4.340 -0.000 0.000 0.242 304 R C 0.962 177.230 176.300 -0.053 0.000 1.137 304 R CA 2.036 58.100 56.100 -0.060 0.000 0.944 304 R CB -0.207 30.058 30.300 -0.059 0.000 0.857 304 R HN 0.503 nan 8.270 nan 0.000 0.435 305 D N -0.177 120.199 120.400 -0.041 0.000 2.123 305 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 305 D C 1.979 178.259 176.300 -0.033 0.000 0.992 305 D CA 1.476 55.454 54.000 -0.035 0.000 0.833 305 D CB -0.194 40.590 40.800 -0.025 0.000 0.954 305 D HN 0.238 nan 8.370 nan 0.000 0.455 306 S N 0.446 116.131 115.700 -0.025 0.000 2.343 306 S HA -0.103 4.367 4.470 -0.000 0.000 0.219 306 S C 2.093 176.676 174.600 -0.028 0.000 1.033 306 S CA 0.519 58.711 58.200 -0.013 0.000 1.014 306 S CB -0.028 63.176 63.200 0.007 0.000 0.915 306 S HN 0.174 nan 8.310 nan 0.000 0.435 307 I N 1.823 122.366 120.570 -0.045 0.000 2.179 307 I HA -0.140 4.030 4.170 -0.000 0.000 0.242 307 I C 2.322 178.364 176.117 -0.123 0.000 1.088 307 I CA 1.130 62.379 61.300 -0.086 0.000 1.357 307 I CB -1.630 36.305 38.000 -0.109 0.000 1.051 307 I HN 0.282 nan 8.210 nan 0.000 0.409 308 L N 0.568 121.726 121.223 -0.109 0.000 2.021 308 L HA -0.311 4.029 4.340 -0.000 0.000 0.215 308 L C 2.615 179.434 176.870 -0.085 0.000 1.074 308 L CA 2.131 56.907 54.840 -0.106 0.000 0.760 308 L CB -0.419 41.594 42.059 -0.077 0.000 0.889 308 L HN 0.295 nan 8.230 nan 0.000 0.433 309 T N 0.310 114.827 114.554 -0.063 0.000 2.684 309 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 309 T C 1.898 176.570 174.700 -0.048 0.000 1.036 309 T CA 1.600 63.671 62.100 -0.049 0.000 1.148 309 T CB -0.353 68.491 68.868 -0.040 0.000 0.863 309 T HN 0.265 nan 8.240 nan 0.000 0.436 310 L N 0.423 121.617 121.223 -0.049 0.000 2.043 310 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 310 L C 2.481 179.330 176.870 -0.036 0.000 1.075 310 L CA 1.261 56.080 54.840 -0.034 0.000 0.752 310 L CB -0.629 41.422 42.059 -0.014 0.000 0.891 310 L HN 0.274 nan 8.230 nan 0.000 0.432 311 L N -1.424 119.751 121.223 -0.080 0.000 2.072 311 L HA -0.201 4.139 4.340 -0.000 0.000 0.205 311 L C 2.459 179.306 176.870 -0.039 0.000 1.079 311 L CA 0.602 55.394 54.840 -0.080 0.000 0.752 311 L CB -0.450 41.510 42.059 -0.165 0.000 0.906 311 L HN 0.209 nan 8.230 nan 0.000 0.436 312 L N -0.410 120.788 121.223 -0.041 0.000 2.083 312 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 312 L C 2.325 179.199 176.870 0.006 0.000 1.083 312 L CA 1.652 56.478 54.840 -0.024 0.000 0.752 312 L CB -0.703 41.337 42.059 -0.032 0.000 0.899 312 L HN 0.186 nan 8.230 nan 0.000 0.433 313 L N -2.034 119.202 121.223 0.021 0.000 2.179 313 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 313 L C 2.606 179.550 176.870 0.125 0.000 1.096 313 L CA 0.878 55.772 54.840 0.091 0.000 0.779 313 L CB -0.165 41.926 42.059 0.053 0.000 0.922 313 L HN 0.272 nan 8.230 nan 0.000 0.443 314 S N -0.879 114.856 115.700 0.059 0.000 2.356 314 S HA -0.189 4.281 4.470 -0.000 0.000 0.223 314 S C 1.923 176.529 174.600 0.011 0.000 1.032 314 S CA 2.104 60.328 58.200 0.041 0.000 1.005 314 S CB -0.099 63.121 63.200 0.034 0.000 0.867 314 S HN 0.431 nan 8.310 nan 0.000 0.449 315 T N 2.433 116.995 114.554 0.013 0.000 2.737 315 T HA -0.016 4.334 4.350 -0.000 0.000 0.265 315 T C 1.693 176.395 174.700 0.004 0.000 1.038 315 T CA 1.319 63.420 62.100 0.002 0.000 1.144 315 T CB -0.490 68.378 68.868 -0.000 0.000 0.866 315 T HN 0.306 nan 8.240 nan 0.000 0.434 316 L N 1.283 122.522 121.223 0.027 0.000 2.191 316 L HA 0.071 4.411 4.340 -0.000 0.000 0.212 316 L C 2.466 179.392 176.870 0.095 0.000 1.103 316 L CA 1.416 56.290 54.840 0.057 0.000 0.769 316 L CB -0.761 41.344 42.059 0.077 0.000 0.908 316 L HN 0.220 nan 8.230 nan 0.000 0.438 317 A N -0.891 121.894 122.820 -0.058 0.000 1.898 317 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 317 A C 1.980 179.391 177.584 -0.288 0.000 1.181 317 A CA 1.707 53.437 52.037 -0.511 0.000 0.620 317 A CB -0.638 18.069 19.000 -0.487 0.000 0.819 317 A HN 0.506 nan 8.150 nan 0.000 0.442 318 D N -0.056 120.268 120.400 -0.127 0.000 2.117 318 D HA -0.100 4.540 4.640 -0.000 0.000 0.198 318 D C 2.063 178.353 176.300 -0.016 0.000 0.982 318 D CA 1.448 55.403 54.000 -0.075 0.000 0.828 318 D CB -0.464 40.310 40.800 -0.042 0.000 0.967 318 D HN 0.222 nan 8.370 nan 0.000 0.464 319 V N 0.808 120.749 119.914 0.045 0.000 2.392 319 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 319 V C 2.199 178.416 176.094 0.205 0.000 1.059 319 V CA 1.323 63.690 62.300 0.111 0.000 1.051 319 V CB -0.679 31.210 31.823 0.111 0.000 0.658 319 V HN 0.172 nan 8.190 nan 0.000 0.455 320 Y N 1.591 121.973 120.300 0.137 0.000 2.114 320 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 320 Y C 2.735 178.523 175.900 -0.188 0.000 1.143 320 Y CA 2.381 60.448 58.100 -0.054 0.000 1.135 320 Y CB -0.606 37.720 38.460 -0.224 0.000 0.980 320 Y HN 0.247 nan 8.280 nan 0.000 0.499 321 T N 0.274 114.803 114.554 -0.042 0.000 2.624 321 T HA -0.273 4.077 4.350 -0.000 0.000 0.268 321 T C 2.010 176.629 174.700 -0.135 0.000 1.041 321 T CA 2.621 64.663 62.100 -0.098 0.000 1.159 321 T CB -1.153 67.661 68.868 -0.091 0.000 0.863 321 T HN 0.441 nan 8.240 nan 0.000 0.434 322 V N 0.210 120.065 119.914 -0.099 0.000 2.379 322 V HA 0.035 4.155 4.120 -0.000 0.000 0.245 322 V C 2.290 178.313 176.094 -0.118 0.000 1.044 322 V CA 1.378 63.625 62.300 -0.089 0.000 1.036 322 V CB -1.073 30.718 31.823 -0.052 0.000 0.664 322 V HN 0.444 nan 8.190 nan 0.000 0.453 323 L N -0.392 120.746 121.223 -0.143 0.000 2.313 323 L HA 0.180 4.520 4.340 -0.000 0.000 0.214 323 L C 1.334 178.040 176.870 -0.274 0.000 1.119 323 L CA 0.495 55.234 54.840 -0.169 0.000 0.809 323 L CB -0.429 41.567 42.059 -0.105 0.000 0.933 323 L HN 0.385 nan 8.230 nan 0.000 0.449 324 R N -1.282 118.979 120.500 -0.399 0.000 3.333 324 R HA -0.135 4.205 4.340 -0.000 0.000 0.256 324 R C -2.219 173.810 176.300 -0.451 0.000 1.010 324 R CA 0.090 55.928 56.100 -0.437 0.000 0.680 324 R CB -2.327 27.828 30.300 -0.242 0.000 1.102 324 R HN 0.341 nan 8.270 nan 0.000 0.440 325 P HA 0.108 nan 4.420 nan 0.000 0.269 325 P C -0.385 176.806 177.300 -0.181 0.000 1.215 325 P CA 0.360 63.207 63.100 -0.422 0.000 0.780 325 P CB 0.754 32.070 31.700 -0.640 0.000 0.898 326 E N 1.395 121.610 120.200 0.023 0.000 2.283 326 E HA 0.475 4.825 4.350 -0.000 0.000 0.258 326 E C -0.959 175.817 176.600 0.293 0.000 0.893 326 E CA -0.428 56.029 56.400 0.095 0.000 0.798 326 E CB 1.021 30.727 29.700 0.009 0.000 1.242 326 E HN 0.419 nan 8.360 nan 0.000 0.414 327 F N 0.341 120.319 119.950 0.047 0.000 2.713 327 F HA 0.783 5.310 4.527 -0.000 0.000 0.311 327 F C -1.047 174.812 175.800 0.098 0.000 1.141 327 F CA -1.441 56.630 58.000 0.118 0.000 0.939 327 F CB 0.422 39.588 39.000 0.276 0.000 1.325 327 F HN 0.330 nan 8.300 nan 0.000 0.453 328 A N 2.384 125.284 122.820 0.134 0.000 2.304 328 A HA 0.772 5.092 4.320 -0.000 0.000 0.271 328 A C -0.690 176.864 177.584 -0.050 0.000 1.091 328 A CA -0.522 51.512 52.037 -0.005 0.000 0.812 328 A CB 0.817 19.843 19.000 0.043 0.000 1.056 328 A HN 0.974 nan 8.150 nan 0.000 0.489 329 M N 1.253 120.784 119.600 -0.116 0.000 2.322 329 M HA 0.281 4.761 4.480 -0.000 0.000 0.286 329 M C -1.327 174.926 176.300 -0.079 0.000 1.111 329 M CA -0.570 54.652 55.300 -0.131 0.000 0.941 329 M CB 1.546 34.067 32.600 -0.132 0.000 1.671 329 M HN 0.872 nan 8.290 nan 0.000 0.470 330 H N 2.437 121.524 119.070 0.028 0.000 3.107 330 H HA 0.200 4.756 4.556 -0.000 0.000 0.301 330 H C 1.194 176.521 175.328 -0.002 0.000 0.981 330 H CA 1.756 57.812 56.048 0.014 0.000 1.443 330 H CB 0.348 30.120 29.762 0.018 0.000 1.479 330 H HN 0.980 nan 8.280 nan 0.000 0.564 331 G N 2.574 111.449 108.800 0.125 0.000 2.199 331 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 331 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 331 G C 0.028 174.943 174.900 0.025 0.000 0.982 331 G CA 0.236 45.370 45.100 0.057 0.000 0.632 331 G HN 0.567 nan 8.290 nan 0.000 0.529 332 V N 1.568 121.491 119.914 0.014 0.000 2.370 332 V HA 0.484 4.604 4.120 -0.000 0.000 0.283 332 V C 0.079 176.152 176.094 -0.035 0.000 1.023 332 V CA -0.879 61.413 62.300 -0.013 0.000 0.857 332 V CB 1.696 33.504 31.823 -0.026 0.000 0.985 332 V HN 0.323 nan 8.190 nan 0.000 0.443 333 N N 5.433 124.092 118.700 -0.068 0.000 2.707 333 N HA 0.376 5.116 4.740 -0.000 0.000 0.235 333 N C -2.612 172.802 175.510 -0.159 0.000 1.028 333 N CA -1.188 51.812 53.050 -0.084 0.000 0.906 333 N CB 1.857 40.303 38.487 -0.070 0.000 1.131 333 N HN 0.445 nan 8.380 nan 0.000 0.509 334 P HA 0.040 nan 4.420 nan 0.000 0.263 334 P C -0.101 177.171 177.300 -0.047 0.000 1.195 334 P CA 0.043 63.104 63.100 -0.064 0.000 0.762 334 P CB 0.549 32.253 31.700 0.006 0.000 0.799 335 M N 7.040 126.634 119.600 -0.010 0.000 2.094 335 M HA 0.175 4.655 4.480 -0.000 0.000 0.348 335 M C -1.543 174.826 176.300 0.116 0.000 1.267 335 M CA -2.513 52.817 55.300 0.051 0.000 1.125 335 M CB 1.230 33.890 32.600 0.100 0.000 1.527 335 M HN 0.212 nan 8.290 nan 0.000 0.447 336 P HA 0.034 nan 4.420 nan 0.000 0.242 336 P C 0.669 178.003 177.300 0.057 0.000 1.198 336 P CA 0.280 63.414 63.100 0.056 0.000 0.756 336 P CB -0.091 31.628 31.700 0.032 0.000 0.911 337 G N 1.769 110.612 108.800 0.072 0.000 2.570 337 G HA2 0.174 4.134 3.960 -0.000 0.000 0.276 337 G HA3 0.174 4.134 3.960 -0.000 0.000 0.276 337 G C -1.393 173.544 174.900 0.063 0.000 1.346 337 G CA -0.733 44.404 45.100 0.062 0.000 1.034 337 G HN 0.015 nan 8.290 nan 0.000 0.512 338 P HA 0.145 nan 4.420 nan 0.000 0.225 338 P C -0.317 177.019 177.300 0.061 0.000 1.156 338 P CA -0.004 63.123 63.100 0.046 0.000 0.787 338 P CB 0.021 31.742 31.700 0.035 0.000 0.802 339 L N -0.768 120.502 121.223 0.078 0.000 1.096 339 L HA -0.114 4.226 4.340 -0.000 0.000 0.399 339 L C 0.271 177.184 176.870 0.072 0.000 1.003 339 L CA 0.732 55.630 54.840 0.098 0.000 1.217 339 L CB -2.135 40.002 42.059 0.130 0.000 0.817 339 L HN 0.191 nan 8.230 nan 0.000 0.447 340 T N -0.463 114.124 114.554 0.055 0.000 2.888 340 T HA 0.872 5.222 4.350 -0.000 0.000 0.288 340 T C 1.052 175.758 174.700 0.010 0.000 1.063 340 T CA -0.255 61.865 62.100 0.032 0.000 1.010 340 T CB 1.845 70.726 68.868 0.022 0.000 1.214 340 T HN 1.076 nan 8.240 nan 0.000 0.533 341 A N 0.456 123.279 122.820 0.005 0.000 1.978 341 A HA 0.175 4.495 4.320 -0.000 0.000 0.220 341 A C 2.506 180.061 177.584 -0.048 0.000 1.170 341 A CA 2.134 54.162 52.037 -0.015 0.000 0.636 341 A CB -1.544 17.452 19.000 -0.006 0.000 0.810 341 A HN 1.265 nan 8.150 nan 0.000 0.448 342 A N 0.187 122.986 122.820 -0.035 0.000 1.855 342 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 342 A C 2.083 179.627 177.584 -0.066 0.000 1.191 342 A CA 1.483 53.496 52.037 -0.041 0.000 0.613 342 A CB -0.656 18.334 19.000 -0.018 0.000 0.829 342 A HN 0.501 nan 8.150 nan 0.000 0.442 343 I N -0.051 120.485 120.570 -0.058 0.000 2.335 343 I HA -0.296 3.874 4.170 -0.000 0.000 0.251 343 I C 2.878 178.829 176.117 -0.276 0.000 1.129 343 I CA 1.058 62.316 61.300 -0.071 0.000 1.402 343 I CB -0.386 37.627 38.000 0.021 0.000 1.069 343 I HN 0.367 nan 8.210 nan 0.000 0.424 344 A N 1.001 123.577 122.820 -0.407 0.000 1.873 344 A HA -0.220 4.100 4.320 -0.000 0.000 0.215 344 A C 2.364 179.702 177.584 -0.410 0.000 1.186 344 A CA 1.708 53.243 52.037 -0.836 0.000 0.616 344 A CB -0.527 18.186 19.000 -0.480 0.000 0.823 344 A HN 0.302 nan 8.150 nan 0.000 0.442 345 R N 0.344 120.718 120.500 -0.210 0.000 2.094 345 R HA -0.144 4.196 4.340 -0.000 0.000 0.239 345 R C 2.109 178.388 176.300 -0.036 0.000 1.137 345 R CA 2.238 58.269 56.100 -0.116 0.000 0.943 345 R CB -0.828 29.417 30.300 -0.092 0.000 0.850 345 R HN 0.392 nan 8.270 nan 0.000 0.433 346 A N 0.056 122.837 122.820 -0.065 0.000 1.972 346 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 346 A C 2.341 179.917 177.584 -0.012 0.000 1.169 346 A CA 1.644 53.668 52.037 -0.022 0.000 0.635 346 A CB -0.933 18.056 19.000 -0.017 0.000 0.810 346 A HN 0.543 nan 8.150 nan 0.000 0.446 347 A N -1.505 121.241 122.820 -0.123 0.000 2.019 347 A HA -0.006 4.314 4.320 -0.000 0.000 0.219 347 A C 0.869 178.392 177.584 -0.101 0.000 1.164 347 A CA 0.600 52.522 52.037 -0.191 0.000 0.644 347 A CB -0.605 18.014 19.000 -0.636 0.000 0.805 347 A HN 0.501 nan 8.150 nan 0.000 0.449 348 Y N 0.799 121.049 120.300 -0.083 0.000 2.724 348 Y HA 0.363 4.913 4.550 -0.000 0.000 0.354 348 Y C 0.852 176.805 175.900 0.089 0.000 1.270 348 Y CA -0.295 57.867 58.100 0.104 0.000 1.902 348 Y CB -1.267 37.232 38.460 0.065 0.000 1.981 348 Y HN 0.075 nan 8.280 nan 0.000 0.428 349 V N 0.000 120.019 119.914 0.174 0.000 2.409 349 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 349 V CA 0.000 62.368 62.300 0.113 0.000 1.235 349 V CB 0.000 31.882 31.823 0.098 0.000 1.184 349 V HN 0.000 nan 8.190 nan 0.000 0.556