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 2ysu_1_A DATA FIRST_RESID 4 DATA SEQUENCE SPDTLVVTAN RFEQPRSTVL APTTVVTRQD IDRWQSTSVN DVLRRLPGVD DATA SEQUENCE ITQNGGSGQL SSIFIRGTNA SHVLVLIDGV RLNLAGVSGS ADLSQFPIAL DATA SEQUENCE VQRVEYIRGP RSAVYGSDAI GGVVNIITTR DEPGTEISAG WGSNSYQNYD DATA SEQUENCE VSTQQQLGDK TRVTLLGDYA HTHGXXXXXX XXXXXXXXXD NDGFLSKTLY DATA SEQUENCE GALEHNFTDA WSGFVRGYGY DNRTNYDAYY SPGSPLLDTR KLYSQSWDAG DATA SEQUENCE LRYNGELIKS QLITSYSHSK DYNYDPHYGR YDSSATLDEM KQYTVQWANN DATA SEQUENCE VIVGHGSIGA GVDWQKQTTT PGTGYVEDGY DQRNTGIYLT GLQQVGDFTF DATA SEQUENCE EGAARSDDNS QFGRHGTWQT SAGWEFIEGY RFIASYGTSY KAPNLGQLYG DATA SEQUENCE FYGNPNLDPE KSKQWEGAFE GLTAGVNWRI SGYRNDVSDL IDYDDHTLKY DATA SEQUENCE YNEGKARIKG VEATANFDTG PLTHTVSYDY VDARNAITDT PLLRRAKQQV DATA SEQUENCE KYQLDWQLYD FDWGITYQYL GTRYDKDYSS YPYQTVKMGG VSLWDLAVAY DATA SEQUENCE PVTSHLTVRG KIANLFDKDY ETVYGYQTAG REYTLSGSYT F 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.603 174.600 0.006 0.000 1.055 4 S CA 0.000 58.211 58.200 0.019 0.000 1.107 4 S CB 0.000 63.217 63.200 0.028 0.000 0.593 5 P HA 0.128 nan 4.420 nan 0.000 0.265 5 P C -0.109 177.178 177.300 -0.021 0.000 1.151 5 P CA 1.584 64.673 63.100 -0.019 0.000 0.755 5 P CB -0.142 31.539 31.700 -0.032 0.000 0.756 6 D N -0.361 120.023 120.400 -0.026 0.000 2.775 6 D HA -0.136 4.504 4.640 0.001 0.000 0.235 6 D C -0.344 175.949 176.300 -0.012 0.000 1.120 6 D CA 1.598 55.584 54.000 -0.023 0.000 0.708 6 D CB -1.085 39.698 40.800 -0.029 0.000 1.084 6 D HN 0.594 nan 8.370 nan 0.000 0.434 7 T N -2.913 111.636 114.554 -0.008 0.000 2.910 7 T HA 0.748 5.099 4.350 0.001 0.000 0.287 7 T C 0.227 174.929 174.700 0.003 0.000 1.050 7 T CA -1.180 60.919 62.100 -0.003 0.000 1.011 7 T CB 1.201 70.066 68.868 -0.005 0.000 1.195 7 T HN 0.087 nan 8.240 nan 0.000 0.540 8 L N 1.604 122.830 121.223 0.006 0.000 2.350 8 L HA 0.712 5.052 4.340 0.001 0.000 0.275 8 L C 0.252 177.133 176.870 0.018 0.000 1.099 8 L CA -0.712 54.138 54.840 0.016 0.000 0.808 8 L CB 1.167 43.238 42.059 0.019 0.000 1.149 8 L HN 0.741 nan 8.230 nan 0.000 0.442 9 V N -0.025 119.906 119.914 0.029 0.000 3.102 9 V HA 0.676 4.796 4.120 0.001 0.000 0.312 9 V C 0.263 176.387 176.094 0.049 0.000 1.135 9 V CA -0.375 61.945 62.300 0.032 0.000 1.022 9 V CB 1.925 33.767 31.823 0.031 0.000 1.056 9 V HN 0.544 nan 8.190 nan 0.000 0.436 10 V N -2.979 116.962 119.914 0.046 0.000 3.572 10 V HA 0.118 4.239 4.120 0.001 0.000 0.260 10 V C 1.800 177.940 176.094 0.077 0.000 1.324 10 V CA 1.290 63.621 62.300 0.052 0.000 1.068 10 V CB -0.311 31.523 31.823 0.017 0.000 0.837 10 V HN 0.893 nan 8.190 nan 0.000 0.450 11 T N 1.647 116.254 114.554 0.087 0.000 2.915 11 T HA 0.011 4.361 4.350 0.001 0.000 0.269 11 T C 2.160 176.986 174.700 0.209 0.000 1.071 11 T CA 1.832 64.022 62.100 0.150 0.000 1.132 11 T CB -0.294 68.622 68.868 0.080 0.000 0.878 11 T HN 0.701 nan 8.240 nan 0.000 0.479 12 A N 2.890 125.785 122.820 0.125 0.000 1.865 12 A HA -0.143 4.178 4.320 0.001 0.000 0.217 12 A C 1.596 179.219 177.584 0.065 0.000 1.191 12 A CA 1.957 54.053 52.037 0.099 0.000 0.623 12 A CB -0.438 18.605 19.000 0.072 0.000 0.826 12 A HN 0.719 nan 8.150 nan 0.000 0.444 13 N N -3.653 115.093 118.700 0.076 0.000 2.536 13 N HA 0.324 5.065 4.740 0.001 0.000 0.286 13 N C 0.155 175.729 175.510 0.107 0.000 1.577 13 N CA -0.004 53.078 53.050 0.053 0.000 0.883 13 N CB 0.555 39.119 38.487 0.128 0.000 1.390 13 N HN 0.408 nan 8.380 nan 0.000 0.491 14 R N -1.921 118.588 120.500 0.014 0.000 3.862 14 R HA -0.197 4.143 4.340 0.001 0.000 0.470 14 R C -1.006 175.062 176.300 -0.387 0.000 0.879 14 R CA 1.418 57.433 56.100 -0.142 0.000 1.508 14 R CB -1.855 28.317 30.300 -0.213 0.000 2.170 14 R HN 0.305 nan 8.270 nan 0.000 0.496 15 F N 0.636 120.639 119.950 0.089 0.000 2.598 15 F HA 0.347 4.875 4.527 0.001 0.000 0.327 15 F C 0.889 176.725 175.800 0.059 0.000 1.057 15 F CA -1.023 57.023 58.000 0.077 0.000 0.957 15 F CB 1.080 40.124 39.000 0.073 0.000 1.278 15 F HN -0.156 nan 8.300 nan 0.000 0.484 16 E N 1.860 122.215 120.200 0.257 0.000 2.414 16 E HA 0.157 4.508 4.350 0.001 0.000 0.263 16 E C -0.836 175.839 176.600 0.124 0.000 1.000 16 E CA 0.110 56.596 56.400 0.144 0.000 0.914 16 E CB 0.513 30.284 29.700 0.118 0.000 0.948 16 E HN 0.592 nan 8.360 nan 0.000 0.444 17 Q N 3.489 123.340 119.800 0.085 0.000 2.503 17 Q HA 0.347 4.688 4.340 0.001 0.000 0.268 17 Q C -2.911 173.115 176.000 0.042 0.000 0.982 17 Q CA -2.038 53.804 55.803 0.065 0.000 0.907 17 Q CB 1.886 30.668 28.738 0.073 0.000 1.467 17 Q HN 0.218 nan 8.270 nan 0.000 0.394 18 P HA -0.068 nan 4.420 nan 0.000 0.264 18 P C -0.062 177.242 177.300 0.007 0.000 1.193 18 P CA 0.190 63.298 63.100 0.013 0.000 0.763 18 P CB 0.673 32.377 31.700 0.006 0.000 0.810 19 R N 2.216 122.716 120.500 0.000 0.000 2.189 19 R HA -0.132 4.209 4.340 0.001 0.000 0.223 19 R C 1.868 178.155 176.300 -0.021 0.000 1.092 19 R CA 1.932 58.029 56.100 -0.006 0.000 0.989 19 R CB -1.909 28.387 30.300 -0.006 0.000 0.876 19 R HN 0.428 nan 8.270 nan 0.000 0.457 20 S N -0.804 114.878 115.700 -0.030 0.000 2.383 20 S HA -0.160 4.310 4.470 0.001 0.000 0.229 20 S C 1.993 176.566 174.600 -0.045 0.000 1.030 20 S CA 1.562 59.732 58.200 -0.050 0.000 1.002 20 S CB -0.817 62.348 63.200 -0.059 0.000 0.829 20 S HN 0.413 nan 8.310 nan 0.000 0.467 21 T N 1.300 115.839 114.554 -0.024 0.000 3.113 21 T HA 0.234 4.584 4.350 0.001 0.000 0.256 21 T C 0.208 174.907 174.700 -0.003 0.000 1.131 21 T CA 0.126 62.218 62.100 -0.012 0.000 1.074 21 T CB -0.413 68.459 68.868 0.007 0.000 0.944 21 T HN 0.260 nan 8.240 nan 0.000 0.516 22 V N 3.358 123.269 119.914 -0.005 0.000 2.405 22 V HA 0.198 4.319 4.120 0.001 0.000 0.264 22 V C 1.404 177.485 176.094 -0.022 0.000 1.048 22 V CA -0.012 62.287 62.300 -0.001 0.000 0.966 22 V CB 0.825 32.649 31.823 0.002 0.000 1.015 22 V HN 0.423 nan 8.190 nan 0.000 0.477 23 L N 3.913 125.125 121.223 -0.018 0.000 2.093 23 L HA 0.033 4.373 4.340 0.001 0.000 0.208 23 L C 1.756 178.599 176.870 -0.045 0.000 1.085 23 L CA 1.128 55.944 54.840 -0.039 0.000 0.755 23 L CB -0.204 41.836 42.059 -0.031 0.000 0.904 23 L HN 0.769 nan 8.230 nan 0.000 0.435 24 A N 0.799 123.599 122.820 -0.032 0.000 2.445 24 A HA 0.294 4.614 4.320 0.001 0.000 0.242 24 A C -2.116 175.430 177.584 -0.063 0.000 1.075 24 A CA -1.089 50.921 52.037 -0.044 0.000 0.777 24 A CB -0.551 18.425 19.000 -0.040 0.000 1.013 24 A HN -0.008 nan 8.150 nan 0.000 0.493 25 P HA 0.178 nan 4.420 nan 0.000 0.267 25 P C -0.242 176.964 177.300 -0.157 0.000 1.205 25 P CA 0.403 63.449 63.100 -0.091 0.000 0.765 25 P CB 0.920 32.575 31.700 -0.074 0.000 0.828 26 T N 1.285 115.758 114.554 -0.134 0.000 2.896 26 T HA 0.619 4.969 4.350 0.001 0.000 0.297 26 T C -1.129 173.508 174.700 -0.106 0.000 1.108 26 T CA -0.284 61.726 62.100 -0.149 0.000 1.004 26 T CB 1.323 70.146 68.868 -0.075 0.000 1.159 26 T HN 0.322 nan 8.240 nan 0.000 0.499 27 T N 1.995 116.504 114.554 -0.075 0.000 2.916 27 T HA 0.660 5.011 4.350 0.001 0.000 0.305 27 T C -1.277 173.484 174.700 0.101 0.000 1.119 27 T CA -0.589 61.545 62.100 0.055 0.000 1.008 27 T CB 1.696 70.664 68.868 0.166 0.000 1.129 27 T HN 0.589 nan 8.240 nan 0.000 0.480 28 V N 2.406 122.377 119.914 0.094 0.000 2.588 28 V HA 0.610 4.730 4.120 0.001 0.000 0.304 28 V C -0.594 175.544 176.094 0.074 0.000 1.042 28 V CA -0.732 61.611 62.300 0.072 0.000 0.877 28 V CB 1.971 33.814 31.823 0.033 0.000 0.996 28 V HN 0.769 nan 8.190 nan 0.000 0.425 29 V N 3.519 123.465 119.914 0.053 0.000 2.513 29 V HA 0.623 4.743 4.120 0.001 0.000 0.299 29 V C 0.236 176.281 176.094 -0.083 0.000 1.035 29 V CA -0.416 61.883 62.300 -0.002 0.000 0.889 29 V CB 2.141 33.998 31.823 0.057 0.000 0.988 29 V HN 0.963 nan 8.190 nan 0.000 0.440 30 T N 2.988 117.442 114.554 -0.167 0.000 2.945 30 T HA 0.402 4.753 4.350 0.001 0.000 0.286 30 T C 1.067 175.639 174.700 -0.213 0.000 1.025 30 T CA -0.745 61.258 62.100 -0.163 0.000 1.039 30 T CB 1.883 70.658 68.868 -0.155 0.000 1.068 30 T HN 0.468 nan 8.240 nan 0.000 0.497 31 R N 0.812 121.212 120.500 -0.165 0.000 2.096 31 R HA -0.176 4.165 4.340 0.001 0.000 0.240 31 R C 2.453 178.629 176.300 -0.206 0.000 1.139 31 R CA 1.964 57.963 56.100 -0.168 0.000 0.952 31 R CB -0.755 29.466 30.300 -0.131 0.000 0.854 31 R HN 0.893 nan 8.270 nan 0.000 0.436 32 Q N 0.765 120.450 119.800 -0.191 0.000 2.029 32 Q HA -0.222 4.119 4.340 0.001 0.000 0.209 32 Q C 1.442 177.248 176.000 -0.324 0.000 0.999 32 Q CA 2.504 58.185 55.803 -0.203 0.000 0.857 32 Q CB -0.289 28.356 28.738 -0.156 0.000 0.926 32 Q HN 0.203 nan 8.270 nan 0.000 0.415 33 D N -0.113 120.034 120.400 -0.422 0.000 2.133 33 D HA -0.169 4.471 4.640 0.001 0.000 0.195 33 D C 1.836 177.379 176.300 -1.261 0.000 0.997 33 D CA 1.559 55.073 54.000 -0.810 0.000 0.840 33 D CB -0.144 40.208 40.800 -0.747 0.000 0.947 33 D HN 0.432 nan 8.370 nan 0.000 0.452 34 I N 0.614 120.747 120.570 -0.727 0.000 2.233 34 I HA -0.191 3.980 4.170 0.001 0.000 0.243 34 I C 1.780 177.755 176.117 -0.237 0.000 1.093 34 I CA 0.834 61.876 61.300 -0.430 0.000 1.380 34 I CB -0.101 37.783 38.000 -0.192 0.000 1.067 34 I HN -0.147 nan 8.210 nan 0.000 0.413 35 D N 0.950 121.222 120.400 -0.214 0.000 2.149 35 D HA -0.159 4.482 4.640 0.001 0.000 0.198 35 D C 2.321 178.566 176.300 -0.091 0.000 0.990 35 D CA 1.199 55.129 54.000 -0.117 0.000 0.839 35 D CB -0.225 40.509 40.800 -0.111 0.000 0.948 35 D HN 0.273 nan 8.370 nan 0.000 0.460 36 R N -0.400 120.000 120.500 -0.166 0.000 2.115 36 R HA -0.068 4.273 4.340 0.001 0.000 0.226 36 R C 1.703 178.068 176.300 0.108 0.000 1.100 36 R CA 0.650 56.708 56.100 -0.071 0.000 0.980 36 R CB -0.076 30.156 30.300 -0.114 0.000 0.875 36 R HN 0.276 nan 8.270 nan 0.000 0.445 37 W N 1.080 122.376 121.300 -0.008 0.000 3.180 37 W HA 0.096 4.757 4.660 0.001 0.000 0.254 37 W C 0.279 176.784 176.519 -0.023 0.000 1.318 37 W CA -0.221 57.120 57.345 -0.007 0.000 1.608 37 W CB -0.583 28.872 29.460 -0.008 0.000 1.124 37 W HN 0.205 nan 8.180 nan 0.000 0.694 38 Q N 0.291 120.183 119.800 0.153 0.000 2.416 38 Q HA -0.194 4.147 4.340 0.001 0.000 0.319 38 Q C 0.190 176.231 176.000 0.068 0.000 1.318 38 Q CA 0.398 56.246 55.803 0.075 0.000 0.915 38 Q CB -1.410 27.352 28.738 0.040 0.000 1.184 38 Q HN -0.084 nan 8.270 nan 0.000 0.444 39 S N -0.307 115.460 115.700 0.112 0.000 2.549 39 S HA 0.198 4.668 4.470 0.001 0.000 0.279 39 S C 1.249 175.869 174.600 0.033 0.000 1.321 39 S CA 0.229 58.481 58.200 0.086 0.000 1.054 39 S CB 1.069 64.364 63.200 0.158 0.000 0.899 39 S HN 0.492 nan 8.310 nan 0.000 0.497 40 T N -1.516 113.035 114.554 -0.005 0.000 3.044 40 T HA 0.322 4.672 4.350 0.001 0.000 0.260 40 T C 0.237 174.954 174.700 0.029 0.000 1.019 40 T CA -0.175 61.919 62.100 -0.009 0.000 0.921 40 T CB -0.136 68.651 68.868 -0.135 0.000 1.053 40 T HN 0.560 nan 8.240 nan 0.000 0.533 41 S N -0.581 115.135 115.700 0.026 0.000 2.550 41 S HA 0.549 5.019 4.470 0.001 0.000 0.270 41 S C 0.622 175.239 174.600 0.028 0.000 1.145 41 S CA -0.594 57.626 58.200 0.032 0.000 0.852 41 S CB 1.572 64.777 63.200 0.009 0.000 1.119 41 S HN -0.110 nan 8.310 nan 0.000 0.465 42 V N 1.749 121.684 119.914 0.034 0.000 2.427 42 V HA -0.147 3.973 4.120 0.001 0.000 0.248 42 V C 2.338 178.421 176.094 -0.019 0.000 1.051 42 V CA 1.861 64.176 62.300 0.025 0.000 1.048 42 V CB -1.028 30.827 31.823 0.054 0.000 0.666 42 V HN 0.875 nan 8.190 nan 0.000 0.456 43 N N 0.372 119.050 118.700 -0.037 0.000 2.272 43 N HA -0.202 4.539 4.740 0.001 0.000 0.185 43 N C 1.637 177.113 175.510 -0.057 0.000 1.014 43 N CA 1.853 54.865 53.050 -0.063 0.000 0.870 43 N CB -0.261 38.184 38.487 -0.071 0.000 0.975 43 N HN 0.631 nan 8.380 nan 0.000 0.433 44 D N -0.201 120.180 120.400 -0.033 0.000 2.194 44 D HA -0.002 4.639 4.640 0.001 0.000 0.204 44 D C 1.860 178.150 176.300 -0.016 0.000 0.964 44 D CA 0.230 54.208 54.000 -0.037 0.000 0.846 44 D CB 0.325 41.113 40.800 -0.020 0.000 0.962 44 D HN -0.101 nan 8.370 nan 0.000 0.490 45 V N 0.532 120.474 119.914 0.048 0.000 2.307 45 V HA -0.185 3.936 4.120 0.001 0.000 0.245 45 V C 2.487 178.608 176.094 0.045 0.000 1.045 45 V CA 1.210 63.599 62.300 0.147 0.000 1.024 45 V CB -0.420 31.496 31.823 0.156 0.000 0.651 45 V HN 0.322 nan 8.190 nan 0.000 0.449 46 L N 0.126 121.319 121.223 -0.049 0.000 2.109 46 L HA -0.082 4.259 4.340 0.001 0.000 0.207 46 L C 2.726 179.512 176.870 -0.139 0.000 1.086 46 L CA 1.236 55.994 54.840 -0.136 0.000 0.760 46 L CB -0.819 41.119 42.059 -0.201 0.000 0.910 46 L HN 0.312 nan 8.230 nan 0.000 0.437 47 R N 2.526 122.953 120.500 -0.122 0.000 2.226 47 R HA -0.201 4.140 4.340 0.001 0.000 0.246 47 R C 1.797 178.005 176.300 -0.153 0.000 1.161 47 R CA 1.935 57.957 56.100 -0.129 0.000 0.997 47 R CB -0.213 30.014 30.300 -0.122 0.000 0.870 47 R HN 0.552 nan 8.270 nan 0.000 0.465 48 R N -0.228 120.163 120.500 -0.181 0.000 2.437 48 R HA 0.289 4.629 4.340 0.001 0.000 0.257 48 R C 0.296 176.523 176.300 -0.122 0.000 0.927 48 R CA -0.322 55.648 56.100 -0.216 0.000 1.078 48 R CB 0.061 30.117 30.300 -0.406 0.000 1.161 48 R HN 0.034 nan 8.270 nan 0.000 0.529 49 L N 3.105 124.298 121.223 -0.051 0.000 2.395 49 L HA 0.433 4.774 4.340 0.001 0.000 0.269 49 L C -1.976 174.966 176.870 0.120 0.000 1.133 49 L CA -2.561 52.328 54.840 0.081 0.000 0.812 49 L CB 0.499 42.640 42.059 0.137 0.000 1.125 49 L HN -0.114 nan 8.230 nan 0.000 0.452 50 P HA 0.000 nan 4.420 nan 0.000 0.269 50 P C 0.764 178.166 177.300 0.169 0.000 1.209 50 P CA 0.567 63.742 63.100 0.126 0.000 0.776 50 P CB 0.867 32.631 31.700 0.106 0.000 0.876 51 G N 0.868 109.725 108.800 0.095 0.000 2.220 51 G HA2 -0.237 3.724 3.960 0.001 0.000 0.269 51 G HA3 -0.237 3.724 3.960 0.001 0.000 0.269 51 G C 0.051 175.000 174.900 0.083 0.000 0.977 51 G CA 0.169 45.323 45.100 0.090 0.000 0.634 51 G HN 0.552 nan 8.290 nan 0.000 0.539 52 V N 1.466 121.418 119.914 0.064 0.000 2.432 52 V HA 0.537 4.658 4.120 0.001 0.000 0.271 52 V C -0.169 175.918 176.094 -0.011 0.000 1.046 52 V CA 0.019 62.316 62.300 -0.004 0.000 0.945 52 V CB 1.715 33.481 31.823 -0.094 0.000 0.992 52 V HN 0.345 nan 8.190 nan 0.000 0.471 53 D N 5.332 125.752 120.400 0.033 0.000 2.421 53 D HA 0.440 5.081 4.640 0.001 0.000 0.254 53 D C -0.756 175.634 176.300 0.151 0.000 1.238 53 D CA -0.255 53.770 54.000 0.042 0.000 0.919 53 D CB 1.020 41.829 40.800 0.015 0.000 1.152 53 D HN 0.388 nan 8.370 nan 0.000 0.552 54 I N 2.216 122.827 120.570 0.069 0.000 2.493 54 I HA 0.390 4.561 4.170 0.001 0.000 0.298 54 I C 0.499 176.672 176.117 0.093 0.000 0.998 54 I CA -0.645 60.705 61.300 0.083 0.000 1.137 54 I CB 2.159 40.149 38.000 -0.017 0.000 1.310 54 I HN 0.324 nan 8.210 nan 0.000 0.445 55 T N 2.236 116.868 114.554 0.131 0.000 2.887 55 T HA 0.643 4.994 4.350 0.001 0.000 0.288 55 T C -0.810 173.889 174.700 -0.001 0.000 1.021 55 T CA -0.786 61.364 62.100 0.084 0.000 1.000 55 T CB 2.314 71.269 68.868 0.145 0.000 1.034 55 T HN 0.629 nan 8.240 nan 0.000 0.467 56 Q N 0.787 120.565 119.800 -0.037 0.000 2.345 56 Q HA 0.372 4.712 4.340 0.001 0.000 0.275 56 Q C -0.710 175.204 176.000 -0.143 0.000 1.063 56 Q CA -0.769 54.978 55.803 -0.094 0.000 0.819 56 Q CB 1.679 30.373 28.738 -0.072 0.000 1.356 56 Q HN 0.690 nan 8.270 nan 0.000 0.418 57 N N 2.226 120.784 118.700 -0.237 0.000 2.906 57 N HA 0.175 4.915 4.740 0.001 0.000 0.282 57 N C 0.078 175.576 175.510 -0.020 0.000 1.293 57 N CA 1.058 53.878 53.050 -0.384 0.000 1.059 57 N CB 0.497 38.584 38.487 -0.667 0.000 1.388 57 N HN 0.818 nan 8.380 nan 0.000 0.533 58 G N -0.725 108.077 108.800 0.003 0.000 2.460 58 G HA2 -0.183 3.777 3.960 0.001 0.000 0.207 58 G HA3 -0.183 3.777 3.960 0.001 0.000 0.207 58 G C 0.301 175.189 174.900 -0.019 0.000 1.170 58 G CA -0.443 44.676 45.100 0.032 0.000 1.151 58 G HN 0.473 nan 8.290 nan 0.000 0.575 59 G N -0.222 108.575 108.800 -0.004 0.000 2.468 59 G HA2 0.485 4.445 3.960 0.001 0.000 0.264 59 G HA3 0.485 4.445 3.960 0.001 0.000 0.264 59 G C 0.708 175.580 174.900 -0.046 0.000 1.460 59 G CA 1.065 46.157 45.100 -0.013 0.000 1.060 59 G HN 1.473 nan 8.290 nan 0.000 0.543 60 S N -0.975 114.713 115.700 -0.020 0.000 2.572 60 S HA 0.416 4.887 4.470 0.001 0.000 0.279 60 S C 1.410 175.811 174.600 -0.332 0.000 1.341 60 S CA 0.884 59.043 58.200 -0.069 0.000 1.043 60 S CB 0.845 64.148 63.200 0.172 0.000 0.887 60 S HN 1.873 nan 8.310 nan 0.000 0.516 61 G N 1.575 109.873 108.800 -0.835 0.000 2.245 61 G HA2 -0.224 3.736 3.960 0.001 0.000 0.264 61 G HA3 -0.224 3.736 3.960 0.001 0.000 0.264 61 G C 0.037 174.618 174.900 -0.530 0.000 0.985 61 G CA -0.044 44.265 45.100 -1.318 0.000 0.625 61 G HN 0.586 nan 8.290 nan 0.000 0.536 62 Q N 0.013 119.626 119.800 -0.311 0.000 2.352 62 Q HA 0.440 4.781 4.340 0.001 0.000 0.260 62 Q C 1.010 176.886 176.000 -0.206 0.000 0.976 62 Q CA -0.512 55.180 55.803 -0.186 0.000 0.881 62 Q CB 0.943 29.617 28.738 -0.106 0.000 1.235 62 Q HN 0.510 nan 8.270 nan 0.000 0.419 63 L N 2.470 123.568 121.223 -0.207 0.000 2.667 63 L HA -0.111 4.230 4.340 0.001 0.000 0.278 63 L C 0.066 176.817 176.870 -0.198 0.000 1.217 63 L CA 0.683 55.397 54.840 -0.210 0.000 0.935 63 L CB 0.081 42.000 42.059 -0.234 0.000 1.193 63 L HN 0.733 nan 8.230 nan 0.000 0.493 64 S N 2.285 117.879 115.700 -0.177 0.000 2.564 64 S HA 0.854 5.325 4.470 0.001 0.000 0.274 64 S C -0.735 173.760 174.600 -0.175 0.000 1.124 64 S CA -0.409 57.696 58.200 -0.159 0.000 0.869 64 S CB 2.153 65.267 63.200 -0.143 0.000 1.105 64 S HN 0.618 nan 8.310 nan 0.000 0.472 65 S N 1.398 116.988 115.700 -0.184 0.000 2.548 65 S HA 0.706 5.176 4.470 0.001 0.000 0.276 65 S C -0.899 173.447 174.600 -0.424 0.000 1.129 65 S CA -0.899 57.109 58.200 -0.320 0.000 0.931 65 S CB 0.477 63.444 63.200 -0.388 0.000 1.068 65 S HN 0.769 nan 8.310 nan 0.000 0.480 66 I N 2.383 122.669 120.570 -0.474 0.000 2.385 66 I HA 0.470 4.640 4.170 0.001 0.000 0.294 66 I C -1.137 174.649 176.117 -0.552 0.000 0.988 66 I CA -0.687 60.394 61.300 -0.364 0.000 1.265 66 I CB 0.854 38.706 38.000 -0.247 0.000 1.388 66 I HN 0.574 nan 8.210 nan 0.000 0.480 67 F N 6.488 126.386 119.950 -0.086 0.000 2.434 67 F HA 0.473 5.001 4.527 0.001 0.000 0.355 67 F C -0.154 175.612 175.800 -0.058 0.000 1.115 67 F CA -0.562 57.398 58.000 -0.066 0.000 1.010 67 F CB 0.813 39.777 39.000 -0.059 0.000 1.234 67 F HN 0.184 nan 8.300 nan 0.000 0.439 68 I N 3.330 123.947 120.570 0.080 0.000 2.395 68 I HA 0.320 4.490 4.170 0.001 0.000 0.289 68 I C 0.844 176.977 176.117 0.026 0.000 1.023 68 I CA -0.234 61.099 61.300 0.054 0.000 1.350 68 I CB 0.747 38.776 38.000 0.049 0.000 1.409 68 I HN 0.496 nan 8.210 nan 0.000 0.507 69 R N 4.766 125.263 120.500 -0.005 0.000 3.610 69 R HA -0.238 4.102 4.340 0.001 0.000 0.274 69 R C 1.061 177.372 176.300 0.019 0.000 1.123 69 R CA 0.913 56.972 56.100 -0.068 0.000 0.747 69 R CB -1.679 28.378 30.300 -0.406 0.000 1.149 69 R HN 1.170 nan 8.270 nan 0.000 0.471 70 G N -2.194 106.639 108.800 0.054 0.000 2.179 70 G HA2 -0.381 3.580 3.960 0.001 0.000 0.260 70 G HA3 -0.381 3.580 3.960 0.001 0.000 0.260 70 G C 0.322 175.284 174.900 0.104 0.000 0.977 70 G CA 0.677 45.806 45.100 0.047 0.000 0.641 70 G HN 0.865 nan 8.290 nan 0.000 0.533 71 T N -1.195 113.439 114.554 0.133 0.000 2.766 71 T HA 0.463 4.813 4.350 0.001 0.000 0.295 71 T C 0.604 175.477 174.700 0.289 0.000 1.024 71 T CA 0.252 62.467 62.100 0.192 0.000 1.018 71 T CB 0.979 69.935 68.868 0.147 0.000 1.002 71 T HN 0.405 nan 8.240 nan 0.000 0.532 72 N N -0.328 118.538 118.700 0.277 0.000 2.381 72 N HA 0.373 5.114 4.740 0.001 0.000 0.241 72 N C 1.611 176.993 175.510 -0.214 0.000 1.279 72 N CA 0.102 53.167 53.050 0.025 0.000 0.896 72 N CB 0.269 38.564 38.487 -0.320 0.000 1.118 72 N HN 0.788 nan 8.380 nan 0.000 0.438 73 A N 0.597 123.164 122.820 -0.422 0.000 1.978 73 A HA -0.146 4.175 4.320 0.001 0.000 0.220 73 A C 1.523 178.877 177.584 -0.382 0.000 1.170 73 A CA 1.417 53.111 52.037 -0.571 0.000 0.636 73 A CB -0.333 18.324 19.000 -0.572 0.000 0.810 73 A HN 0.586 nan 8.150 nan 0.000 0.448 74 S N -1.034 114.423 115.700 -0.405 0.000 2.710 74 S HA 0.111 4.582 4.470 0.001 0.000 0.224 74 S C 0.481 174.880 174.600 -0.334 0.000 0.948 74 S CA 0.033 58.013 58.200 -0.367 0.000 0.949 74 S CB -0.510 62.463 63.200 -0.378 0.000 0.778 74 S HN 0.807 nan 8.310 nan 0.000 0.498 75 H N -0.448 118.534 119.070 -0.146 0.000 2.784 75 H HA 0.378 4.934 4.556 0.001 0.000 0.273 75 H C -0.130 175.119 175.328 -0.132 0.000 1.112 75 H CA -0.226 55.743 56.048 -0.130 0.000 1.162 75 H CB 0.897 30.601 29.762 -0.098 0.000 1.586 75 H HN 0.180 nan 8.280 nan 0.000 0.548 76 V N 2.154 122.036 119.914 -0.053 0.000 2.417 76 V HA 0.249 4.369 4.120 0.001 0.000 0.291 76 V C -0.806 175.219 176.094 -0.116 0.000 1.024 76 V CA -1.059 61.192 62.300 -0.082 0.000 0.861 76 V CB 1.210 32.972 31.823 -0.103 0.000 0.985 76 V HN 0.189 nan 8.190 nan 0.000 0.436 77 L N 8.247 129.400 121.223 -0.117 0.000 2.315 77 L HA 0.534 4.875 4.340 0.001 0.000 0.283 77 L C -0.497 176.267 176.870 -0.177 0.000 1.089 77 L CA 0.583 55.333 54.840 -0.149 0.000 0.833 77 L CB 1.209 43.171 42.059 -0.162 0.000 1.170 77 L HN 0.506 nan 8.230 nan 0.000 0.442 78 V N 7.036 126.841 119.914 -0.183 0.000 2.370 78 V HA 0.412 4.533 4.120 0.001 0.000 0.279 78 V C 0.138 176.103 176.094 -0.214 0.000 1.029 78 V CA -0.477 61.698 62.300 -0.209 0.000 0.870 78 V CB 1.294 32.983 31.823 -0.223 0.000 0.984 78 V HN 0.632 nan 8.190 nan 0.000 0.451 79 L N 5.611 126.696 121.223 -0.230 0.000 2.329 79 L HA 0.604 4.945 4.340 0.001 0.000 0.279 79 L C -0.694 176.070 176.870 -0.177 0.000 1.014 79 L CA -0.691 54.030 54.840 -0.198 0.000 0.814 79 L CB 1.992 43.904 42.059 -0.245 0.000 1.257 79 L HN 0.389 nan 8.230 nan 0.000 0.424 80 I N 2.638 123.142 120.570 -0.110 0.000 2.307 80 I HA 0.208 4.379 4.170 0.001 0.000 0.289 80 I C 0.141 176.290 176.117 0.053 0.000 1.021 80 I CA -0.102 61.167 61.300 -0.051 0.000 1.224 80 I CB 0.944 38.958 38.000 0.023 0.000 1.376 80 I HN 0.693 nan 8.210 nan 0.000 0.470 81 D N 5.358 125.777 120.400 0.032 0.000 3.067 81 D HA -0.218 4.423 4.640 0.001 0.000 0.216 81 D C 1.193 177.535 176.300 0.069 0.000 1.162 81 D CA 1.774 55.812 54.000 0.064 0.000 0.960 81 D CB -0.930 39.953 40.800 0.139 0.000 1.129 81 D HN 1.105 nan 8.370 nan 0.000 0.408 82 G N -1.859 106.960 108.800 0.031 0.000 2.227 82 G HA2 -0.052 3.908 3.960 0.001 0.000 0.168 82 G HA3 -0.052 3.908 3.960 0.001 0.000 0.168 82 G C 0.145 175.082 174.900 0.061 0.000 1.006 82 G CA 0.341 45.466 45.100 0.042 0.000 0.684 82 G HN 1.074 nan 8.290 nan 0.000 0.489 83 V N -1.442 118.508 119.914 0.060 0.000 2.495 83 V HA 0.811 4.932 4.120 0.001 0.000 0.298 83 V C 0.704 176.805 176.094 0.011 0.000 1.031 83 V CA -0.978 61.364 62.300 0.071 0.000 0.871 83 V CB 1.502 33.398 31.823 0.122 0.000 0.988 83 V HN 0.612 nan 8.190 nan 0.000 0.432 84 R N 2.891 123.386 120.500 -0.008 0.000 2.466 84 R HA -0.052 4.289 4.340 0.001 0.000 0.280 84 R C -0.087 176.191 176.300 -0.037 0.000 0.926 84 R CA -0.218 55.855 56.100 -0.045 0.000 1.127 84 R CB 0.066 30.351 30.300 -0.026 0.000 0.871 84 R HN 0.888 nan 8.270 nan 0.000 0.421 85 L N 5.660 126.838 121.223 -0.075 0.000 2.584 85 L HA -0.052 4.288 4.340 0.001 0.000 0.272 85 L C 1.413 178.274 176.870 -0.015 0.000 1.195 85 L CA 0.530 55.333 54.840 -0.063 0.000 0.920 85 L CB 0.399 42.378 42.059 -0.134 0.000 1.173 85 L HN 0.863 nan 8.230 nan 0.000 0.489 86 N N 5.398 124.118 118.700 0.034 0.000 2.381 86 N HA -0.200 4.540 4.740 0.001 0.000 0.182 86 N C 1.184 176.710 175.510 0.027 0.000 1.025 86 N CA 1.512 54.575 53.050 0.022 0.000 0.888 86 N CB -0.258 38.239 38.487 0.016 0.000 0.965 86 N HN 0.816 nan 8.380 nan 0.000 0.438 87 L N 0.159 121.419 121.223 0.060 0.000 2.376 87 L HA 0.090 4.430 4.340 0.001 0.000 0.219 87 L C 2.540 179.410 176.870 0.000 0.000 1.133 87 L CA 0.734 55.608 54.840 0.056 0.000 0.816 87 L CB -0.342 41.785 42.059 0.113 0.000 0.933 87 L HN 0.201 nan 8.230 nan 0.000 0.449 88 A N 0.284 123.088 122.820 -0.026 0.000 2.119 88 A HA 0.041 4.361 4.320 0.001 0.000 0.216 88 A C 2.351 179.909 177.584 -0.044 0.000 1.152 88 A CA 1.013 53.018 52.037 -0.053 0.000 0.708 88 A CB -0.751 18.203 19.000 -0.077 0.000 0.805 88 A HN 0.402 nan 8.150 nan 0.000 0.460 89 G N 0.221 109.005 108.800 -0.028 0.000 2.553 89 G HA2 -0.259 3.701 3.960 0.001 0.000 0.218 89 G HA3 -0.259 3.701 3.960 0.001 0.000 0.218 89 G C 1.512 176.402 174.900 -0.016 0.000 1.195 89 G CA 1.731 46.819 45.100 -0.020 0.000 0.779 89 G HN 0.331 nan 8.290 nan 0.000 0.577 90 V N 0.567 120.470 119.914 -0.018 0.000 2.283 90 V HA -0.140 3.981 4.120 0.001 0.000 0.243 90 V C 3.010 179.090 176.094 -0.024 0.000 1.039 90 V CA 2.278 64.568 62.300 -0.017 0.000 1.016 90 V CB -0.624 31.180 31.823 -0.031 0.000 0.650 90 V HN 0.513 nan 8.190 nan 0.000 0.449 91 S N 0.134 115.812 115.700 -0.037 0.000 2.382 91 S HA -0.029 4.441 4.470 0.001 0.000 0.228 91 S C 1.611 176.170 174.600 -0.069 0.000 1.027 91 S CA 1.495 59.667 58.200 -0.047 0.000 0.991 91 S CB -0.591 62.572 63.200 -0.061 0.000 0.823 91 S HN 1.434 nan 8.310 nan 0.000 0.469 92 G N 0.140 108.897 108.800 -0.071 0.000 2.256 92 G HA2 -0.162 3.798 3.960 0.001 0.000 0.272 92 G HA3 -0.162 3.798 3.960 0.001 0.000 0.272 92 G C -0.056 174.771 174.900 -0.121 0.000 1.076 92 G CA 0.629 45.676 45.100 -0.088 0.000 0.882 92 G HN 1.334 nan 8.290 nan 0.000 0.497 93 S N -1.304 114.322 115.700 -0.123 0.000 2.582 93 S HA 0.759 5.230 4.470 0.001 0.000 0.287 93 S C 0.087 174.598 174.600 -0.148 0.000 1.146 93 S CA 0.677 58.782 58.200 -0.158 0.000 0.941 93 S CB 0.904 64.002 63.200 -0.170 0.000 1.115 93 S HN 1.998 nan 8.310 nan 0.000 0.458 94 A N 3.169 125.888 122.820 -0.168 0.000 2.477 94 A HA 0.561 4.882 4.320 0.001 0.000 0.246 94 A C -0.171 177.313 177.584 -0.167 0.000 1.078 94 A CA 0.161 52.102 52.037 -0.160 0.000 0.770 94 A CB 0.222 19.116 19.000 -0.177 0.000 1.011 94 A HN 0.744 nan 8.150 nan 0.000 0.494 95 D N 2.220 122.540 120.400 -0.133 0.000 2.478 95 D HA 0.321 4.962 4.640 0.001 0.000 0.240 95 D C -0.205 176.041 176.300 -0.090 0.000 1.364 95 D CA -0.325 53.599 54.000 -0.127 0.000 0.987 95 D CB 0.842 41.571 40.800 -0.117 0.000 1.328 95 D HN 0.311 nan 8.370 nan 0.000 0.584 96 L N 2.338 123.500 121.223 -0.102 0.000 2.607 96 L HA 0.059 4.400 4.340 0.001 0.000 0.228 96 L C 2.160 179.009 176.870 -0.036 0.000 1.123 96 L CA 0.171 54.980 54.840 -0.052 0.000 0.890 96 L CB 0.115 42.119 42.059 -0.092 0.000 1.103 96 L HN 0.346 nan 8.230 nan 0.000 0.468 97 S N -0.893 114.744 115.700 -0.104 0.000 2.442 97 S HA -0.181 4.290 4.470 0.001 0.000 0.236 97 S C 1.747 176.198 174.600 -0.247 0.000 1.007 97 S CA 0.854 58.943 58.200 -0.185 0.000 0.965 97 S CB -0.065 62.990 63.200 -0.243 0.000 0.773 97 S HN 0.444 nan 8.310 nan 0.000 0.504 98 Q N -0.635 119.099 119.800 -0.111 0.000 2.352 98 Q HA 0.370 4.711 4.340 0.001 0.000 0.212 98 Q C -0.506 175.524 176.000 0.049 0.000 0.888 98 Q CA -0.183 55.606 55.803 -0.023 0.000 0.934 98 Q CB 0.282 29.041 28.738 0.035 0.000 1.093 98 Q HN 0.674 nan 8.270 nan 0.000 0.523 99 F N 4.646 124.523 119.950 -0.121 0.000 2.444 99 F HA 0.253 4.781 4.527 0.001 0.000 0.360 99 F C -1.974 173.681 175.800 -0.242 0.000 1.106 99 F CA -2.541 55.311 58.000 -0.246 0.000 1.170 99 F CB 0.844 39.761 39.000 -0.140 0.000 1.113 99 F HN -0.128 nan 8.300 nan 0.000 0.521 100 P HA -0.083 nan 4.420 nan 0.000 0.264 100 P C 0.797 177.881 177.300 -0.360 0.000 1.193 100 P CA 0.219 62.997 63.100 -0.536 0.000 0.763 100 P CB 0.986 32.282 31.700 -0.673 0.000 0.810 101 I N 3.783 124.278 120.570 -0.125 0.000 2.493 101 I HA -0.174 3.997 4.170 0.001 0.000 0.254 101 I C 2.074 178.138 176.117 -0.089 0.000 1.160 101 I CA 1.387 62.661 61.300 -0.043 0.000 1.445 101 I CB -0.736 37.268 38.000 0.007 0.000 1.086 101 I HN 0.421 nan 8.210 nan 0.000 0.433 102 A N -0.116 122.620 122.820 -0.141 0.000 2.067 102 A HA -0.079 4.242 4.320 0.001 0.000 0.219 102 A C 1.867 179.321 177.584 -0.216 0.000 1.158 102 A CA 1.112 53.063 52.037 -0.143 0.000 0.661 102 A CB -0.645 18.285 19.000 -0.117 0.000 0.801 102 A HN 0.399 nan 8.150 nan 0.000 0.452 103 L N -0.413 120.646 121.223 -0.273 0.000 2.418 103 L HA 0.067 4.408 4.340 0.001 0.000 0.218 103 L C 0.758 177.508 176.870 -0.201 0.000 1.125 103 L CA 0.526 55.163 54.840 -0.339 0.000 0.835 103 L CB -1.155 40.673 42.059 -0.386 0.000 0.953 103 L HN 0.107 nan 8.230 nan 0.000 0.454 104 V N 1.336 121.202 119.914 -0.080 0.000 2.521 104 V HA 0.059 4.180 4.120 0.001 0.000 0.286 104 V C 1.086 177.120 176.094 -0.101 0.000 1.034 104 V CA 0.033 62.308 62.300 -0.042 0.000 1.045 104 V CB 1.040 32.866 31.823 0.006 0.000 0.974 104 V HN 0.387 nan 8.190 nan 0.000 0.480 105 Q N 3.199 122.937 119.800 -0.104 0.000 2.360 105 Q HA 0.291 4.631 4.340 0.001 0.000 0.261 105 Q C 0.677 176.621 176.000 -0.094 0.000 0.802 105 Q CA 0.177 55.912 55.803 -0.113 0.000 0.983 105 Q CB 1.262 29.921 28.738 -0.131 0.000 1.211 105 Q HN 0.740 nan 8.270 nan 0.000 0.523 106 R N 0.234 120.688 120.500 -0.076 0.000 2.584 106 R HA 0.567 4.908 4.340 0.001 0.000 0.276 106 R C -1.704 174.569 176.300 -0.044 0.000 1.046 106 R CA -0.275 55.789 56.100 -0.059 0.000 0.906 106 R CB 2.029 32.298 30.300 -0.051 0.000 1.215 106 R HN -0.155 nan 8.270 nan 0.000 0.449 107 V N 3.803 123.703 119.914 -0.024 0.000 2.350 107 V HA 0.332 4.453 4.120 0.001 0.000 0.285 107 V C -0.583 175.531 176.094 0.033 0.000 1.014 107 V CA -0.684 61.611 62.300 -0.008 0.000 0.831 107 V CB 1.484 33.306 31.823 -0.002 0.000 1.000 107 V HN 0.769 nan 8.190 nan 0.000 0.433 108 E N 4.145 124.363 120.200 0.030 0.000 2.156 108 E HA 0.456 4.807 4.350 0.001 0.000 0.279 108 E C -1.517 175.154 176.600 0.118 0.000 0.965 108 E CA -0.665 55.771 56.400 0.060 0.000 0.789 108 E CB 2.182 31.900 29.700 0.030 0.000 1.098 108 E HN 0.615 nan 8.360 nan 0.000 0.397 109 Y N 3.905 124.189 120.300 -0.027 0.000 2.344 109 Y HA 0.375 4.925 4.550 0.001 0.000 0.328 109 Y C -1.782 174.102 175.900 -0.027 0.000 1.067 109 Y CA -1.020 57.057 58.100 -0.037 0.000 1.247 109 Y CB 0.354 38.796 38.460 -0.030 0.000 1.113 109 Y HN 0.435 nan 8.280 nan 0.000 0.465 110 I N 6.875 127.373 120.570 -0.119 0.000 2.328 110 I HA 0.456 4.627 4.170 0.001 0.000 0.287 110 I C -0.082 175.880 176.117 -0.258 0.000 1.012 110 I CA -0.679 60.495 61.300 -0.210 0.000 1.195 110 I CB 1.016 38.979 38.000 -0.063 0.000 1.350 110 I HN 0.448 nan 8.210 nan 0.000 0.464 111 R N 4.859 125.123 120.500 -0.394 0.000 2.298 111 R HA 0.675 5.016 4.340 0.001 0.000 0.310 111 R C 0.230 176.416 176.300 -0.189 0.000 1.068 111 R CA -0.230 55.689 56.100 -0.302 0.000 0.957 111 R CB 1.009 31.096 30.300 -0.354 0.000 1.003 111 R HN 0.924 nan 8.270 nan 0.000 0.454 112 G N 3.508 112.213 108.800 -0.158 0.000 2.334 112 G HA2 -0.078 3.882 3.960 0.001 0.000 0.566 112 G HA3 -0.078 3.882 3.960 0.001 0.000 0.566 112 G C -3.036 171.803 174.900 -0.102 0.000 1.413 112 G CA -1.341 43.678 45.100 -0.135 0.000 0.993 112 G HN 0.358 nan 8.290 nan 0.000 0.642 113 P HA 0.290 nan 4.420 nan 0.000 0.265 113 P C 0.015 177.285 177.300 -0.050 0.000 1.193 113 P CA 0.289 63.326 63.100 -0.104 0.000 0.765 113 P CB 0.855 32.463 31.700 -0.154 0.000 0.823 114 R N 1.113 121.603 120.500 -0.016 0.000 2.534 114 R HA 0.168 4.509 4.340 0.001 0.000 0.438 114 R C 1.564 177.906 176.300 0.070 0.000 0.913 114 R CA 0.129 56.259 56.100 0.049 0.000 1.130 114 R CB -0.318 30.065 30.300 0.139 0.000 1.611 114 R HN 0.296 nan 8.270 nan 0.000 0.571 115 S N 0.157 115.881 115.700 0.040 0.000 2.399 115 S HA -0.114 4.356 4.470 0.001 0.000 0.231 115 S C 1.856 176.535 174.600 0.131 0.000 1.022 115 S CA 1.321 59.576 58.200 0.091 0.000 0.983 115 S CB 0.066 63.351 63.200 0.140 0.000 0.803 115 S HN 0.513 nan 8.310 nan 0.000 0.480 116 A N 0.392 123.269 122.820 0.095 0.000 2.216 116 A HA 0.081 4.402 4.320 0.001 0.000 0.214 116 A C 1.850 179.424 177.584 -0.017 0.000 1.160 116 A CA 0.930 53.031 52.037 0.107 0.000 0.725 116 A CB -0.216 18.868 19.000 0.139 0.000 0.784 116 A HN 0.384 nan 8.150 nan 0.000 0.472 117 V N -3.408 116.412 119.914 -0.157 0.000 3.219 117 V HA 0.061 4.181 4.120 0.001 0.000 0.240 117 V C 1.410 177.078 176.094 -0.710 0.000 1.222 117 V CA 0.742 62.717 62.300 -0.542 0.000 1.181 117 V CB -0.454 31.008 31.823 -0.601 0.000 0.941 117 V HN 0.594 nan 8.190 nan 0.000 0.471 118 Y N 0.360 120.583 120.300 -0.128 0.000 2.500 118 Y HA 0.560 5.111 4.550 0.001 0.000 0.246 118 Y C 1.571 177.466 175.900 -0.009 0.000 1.146 118 Y CA 0.437 58.485 58.100 -0.085 0.000 1.230 118 Y CB 1.072 39.487 38.460 -0.075 0.000 1.214 118 Y HN 0.333 nan 8.280 nan 0.000 0.526 119 G N 0.618 109.519 108.800 0.168 0.000 2.509 119 G HA2 -0.334 3.627 3.960 0.001 0.000 0.259 119 G HA3 -0.334 3.627 3.960 0.001 0.000 0.259 119 G C 0.099 174.976 174.900 -0.039 0.000 1.169 119 G CA -0.135 45.112 45.100 0.245 0.000 0.953 119 G HN 0.308 nan 8.290 nan 0.000 0.563 120 S N 1.291 116.863 115.700 -0.214 0.000 2.569 120 S HA 0.376 4.846 4.470 0.001 0.000 0.274 120 S C 1.229 175.566 174.600 -0.438 0.000 1.353 120 S CA 1.774 59.505 58.200 -0.782 0.000 1.023 120 S CB -0.222 62.773 63.200 -0.341 0.000 0.876 120 S HN 2.333 nan 8.310 nan 0.000 0.540 121 D N -0.360 119.761 120.400 -0.466 0.000 2.737 121 D HA -0.179 4.461 4.640 0.001 0.000 0.233 121 D C -0.215 175.996 176.300 -0.149 0.000 1.155 121 D CA 1.077 54.948 54.000 -0.215 0.000 0.667 121 D CB -1.785 38.928 40.800 -0.145 0.000 1.060 121 D HN 0.670 nan 8.370 nan 0.000 0.427 122 A N -0.117 122.608 122.820 -0.159 0.000 3.047 122 A HA 0.650 4.971 4.320 0.001 0.000 0.337 122 A C 1.039 178.562 177.584 -0.101 0.000 1.143 122 A CA -0.727 51.254 52.037 -0.094 0.000 0.905 122 A CB -0.071 18.908 19.000 -0.034 0.000 1.088 122 A HN 0.362 nan 8.150 nan 0.000 0.488 123 I N 0.031 120.532 120.570 -0.114 0.000 2.900 123 I HA 0.075 4.245 4.170 0.001 0.000 0.251 123 I C 2.583 178.618 176.117 -0.136 0.000 1.102 123 I CA 1.098 62.300 61.300 -0.162 0.000 1.457 123 I CB -0.376 37.446 38.000 -0.298 0.000 1.285 123 I HN 0.534 nan 8.210 nan 0.000 0.459 124 G N 0.408 109.155 108.800 -0.088 0.000 2.433 124 G HA2 0.209 4.170 3.960 0.001 0.000 0.216 124 G HA3 0.209 4.170 3.960 0.001 0.000 0.216 124 G C 0.725 175.577 174.900 -0.080 0.000 1.186 124 G CA 1.049 46.098 45.100 -0.085 0.000 0.779 124 G HN 0.556 nan 8.290 nan 0.000 0.543 125 G N -2.378 106.402 108.800 -0.032 0.000 2.341 125 G HA2 0.443 4.404 3.960 0.001 0.000 0.299 125 G HA3 0.443 4.404 3.960 0.001 0.000 0.299 125 G C -2.129 172.779 174.900 0.013 0.000 1.274 125 G CA -0.029 45.070 45.100 -0.002 0.000 0.853 125 G HN 0.566 nan 8.290 nan 0.000 0.493 126 V N 0.009 119.951 119.914 0.047 0.000 2.540 126 V HA 0.605 4.726 4.120 0.001 0.000 0.302 126 V C -0.365 175.766 176.094 0.063 0.000 1.035 126 V CA -0.690 61.597 62.300 -0.022 0.000 0.873 126 V CB 1.692 33.456 31.823 -0.098 0.000 0.992 126 V HN 0.674 nan 8.190 nan 0.000 0.428 127 V N 3.840 123.719 119.914 -0.057 0.000 2.275 127 V HA 0.342 4.463 4.120 0.001 0.000 0.272 127 V C 0.047 176.056 176.094 -0.142 0.000 1.028 127 V CA -0.563 61.683 62.300 -0.089 0.000 0.810 127 V CB 1.075 32.776 31.823 -0.203 0.000 1.043 127 V HN 0.854 nan 8.190 nan 0.000 0.453 128 N N 4.925 123.562 118.700 -0.105 0.000 2.469 128 N HA 0.336 5.076 4.740 0.001 0.000 0.239 128 N C -0.408 175.039 175.510 -0.105 0.000 1.053 128 N CA -0.239 52.734 53.050 -0.128 0.000 0.937 128 N CB 0.486 38.910 38.487 -0.106 0.000 1.163 128 N HN 0.616 nan 8.380 nan 0.000 0.509 129 I N 4.807 125.287 120.570 -0.150 0.000 2.294 129 I HA 0.189 4.360 4.170 0.001 0.000 0.295 129 I C 0.310 176.370 176.117 -0.096 0.000 1.098 129 I CA -0.341 60.876 61.300 -0.140 0.000 1.277 129 I CB 0.233 38.092 38.000 -0.234 0.000 1.434 129 I HN 0.323 nan 8.210 nan 0.000 0.498 130 I N 5.716 126.247 120.570 -0.066 0.000 2.371 130 I HA 0.045 4.216 4.170 0.001 0.000 0.290 130 I C 1.532 177.607 176.117 -0.069 0.000 1.028 130 I CA 0.062 61.331 61.300 -0.051 0.000 1.345 130 I CB 1.370 39.342 38.000 -0.047 0.000 1.407 130 I HN 0.612 nan 8.210 nan 0.000 0.501 131 T N -0.275 114.238 114.554 -0.069 0.000 3.086 131 T HA 0.039 4.390 4.350 0.001 0.000 0.250 131 T C 0.643 175.231 174.700 -0.187 0.000 1.074 131 T CA -0.132 61.866 62.100 -0.169 0.000 0.988 131 T CB 0.014 68.756 68.868 -0.210 0.000 0.988 131 T HN 0.549 nan 8.240 nan 0.000 0.530 132 T N 2.226 116.728 114.554 -0.087 0.000 2.847 132 T HA 0.661 5.012 4.350 0.001 0.000 0.291 132 T C -0.991 173.666 174.700 -0.071 0.000 0.998 132 T CA -0.888 61.178 62.100 -0.058 0.000 0.967 132 T CB 0.800 69.653 68.868 -0.024 0.000 0.954 132 T HN 0.629 nan 8.240 nan 0.000 0.441 133 R N 2.755 123.210 120.500 -0.074 0.000 2.837 133 R HA 0.615 4.955 4.340 0.001 0.000 0.271 133 R C -0.606 175.660 176.300 -0.057 0.000 0.993 133 R CA -0.951 55.107 56.100 -0.069 0.000 0.931 133 R CB 0.586 30.837 30.300 -0.081 0.000 1.206 133 R HN 0.253 nan 8.270 nan 0.000 0.474 134 D N 0.479 120.847 120.400 -0.052 0.000 2.894 134 D HA 0.064 4.704 4.640 0.001 0.000 0.248 134 D C -0.838 175.434 176.300 -0.047 0.000 1.291 134 D CA 0.064 54.038 54.000 -0.044 0.000 0.840 134 D CB 0.463 41.241 40.800 -0.037 0.000 1.044 134 D HN 0.591 nan 8.370 nan 0.000 0.484 135 E N 1.745 121.911 120.200 -0.056 0.000 2.063 135 E HA 0.269 4.620 4.350 0.001 0.000 0.265 135 E C -2.421 174.141 176.600 -0.063 0.000 0.919 135 E CA -2.023 54.340 56.400 -0.062 0.000 0.756 135 E CB 1.286 30.942 29.700 -0.072 0.000 1.120 135 E HN 0.032 nan 8.360 nan 0.000 0.414 136 P HA 0.480 nan 4.420 nan 0.000 0.276 136 P C 0.187 177.439 177.300 -0.080 0.000 1.252 136 P CA 0.052 63.117 63.100 -0.059 0.000 0.802 136 P CB 1.360 33.033 31.700 -0.046 0.000 1.035 137 G N -0.720 108.023 108.800 -0.096 0.000 2.331 137 G HA2 0.249 4.210 3.960 0.001 0.000 0.479 137 G HA3 0.249 4.210 3.960 0.001 0.000 0.479 137 G C -1.222 173.550 174.900 -0.214 0.000 1.262 137 G CA -0.106 44.903 45.100 -0.152 0.000 1.029 137 G HN 0.811 nan 8.290 nan 0.000 0.487 138 T N -1.248 113.078 114.554 -0.380 0.000 2.933 138 T HA 0.678 5.029 4.350 0.001 0.000 0.305 138 T C -1.282 173.120 174.700 -0.497 0.000 1.092 138 T CA 0.331 62.153 62.100 -0.462 0.000 1.008 138 T CB 1.974 70.483 68.868 -0.599 0.000 1.102 138 T HN 1.059 nan 8.240 nan 0.000 0.469 139 E N 4.448 124.524 120.200 -0.207 0.000 2.283 139 E HA 0.445 4.795 4.350 0.001 0.000 0.258 139 E C -1.274 175.384 176.600 0.096 0.000 0.893 139 E CA -0.689 55.693 56.400 -0.031 0.000 0.798 139 E CB 1.009 30.689 29.700 -0.034 0.000 1.242 139 E HN 0.657 nan 8.360 nan 0.000 0.414 140 I N 3.505 124.227 120.570 0.253 0.000 2.342 140 I HA 0.227 4.398 4.170 0.001 0.000 0.291 140 I C -0.201 176.041 176.117 0.209 0.000 1.010 140 I CA 0.140 61.581 61.300 0.236 0.000 1.308 140 I CB 1.510 39.672 38.000 0.270 0.000 1.400 140 I HN 0.434 nan 8.210 nan 0.000 0.488 141 S N 4.497 120.288 115.700 0.152 0.000 2.564 141 S HA 0.975 5.445 4.470 0.001 0.000 0.274 141 S C -0.864 173.795 174.600 0.099 0.000 1.124 141 S CA -0.845 57.428 58.200 0.122 0.000 0.869 141 S CB 2.125 65.377 63.200 0.086 0.000 1.105 141 S HN 0.812 nan 8.310 nan 0.000 0.472 142 A N 0.339 123.192 122.820 0.055 0.000 2.587 142 A HA 0.997 5.318 4.320 0.001 0.000 0.293 142 A C -0.298 177.248 177.584 -0.063 0.000 1.087 142 A CA -0.503 51.493 52.037 -0.067 0.000 0.692 142 A CB 1.526 20.515 19.000 -0.018 0.000 1.291 142 A HN 1.891 nan 8.150 nan 0.000 0.407 143 G N -0.624 108.072 108.800 -0.173 0.000 2.739 143 G HA2 0.498 4.458 3.960 0.001 0.000 0.292 143 G HA3 0.498 4.458 3.960 0.001 0.000 0.292 143 G C -1.769 173.170 174.900 0.066 0.000 1.444 143 G CA -0.314 44.811 45.100 0.040 0.000 1.144 143 G HN 1.128 nan 8.290 nan 0.000 0.550 144 W N 2.806 124.114 121.300 0.013 0.000 2.573 144 W HA 0.795 5.455 4.660 0.001 0.000 0.326 144 W C 0.042 176.707 176.519 0.243 0.000 1.049 144 W CA -0.914 56.466 57.345 0.057 0.000 1.220 144 W CB 2.092 31.570 29.460 0.029 0.000 1.373 144 W HN 0.835 nan 8.180 nan 0.000 0.507 145 G N 2.299 111.111 108.800 0.019 0.000 2.727 145 G HA2 0.546 4.506 3.960 0.001 0.000 0.289 145 G HA3 0.546 4.506 3.960 0.001 0.000 0.289 145 G C -1.023 173.748 174.900 -0.214 0.000 1.418 145 G CA -0.758 44.279 45.100 -0.105 0.000 0.818 145 G HN 0.660 nan 8.290 nan 0.000 0.486 146 S N -0.282 115.336 115.700 -0.137 0.000 2.624 146 S HA 0.309 4.780 4.470 0.001 0.000 0.263 146 S C 0.546 175.184 174.600 0.062 0.000 1.287 146 S CA -0.014 58.159 58.200 -0.045 0.000 0.990 146 S CB 0.696 63.898 63.200 0.004 0.000 0.950 146 S HN 0.853 nan 8.310 nan 0.000 0.561 147 N N 0.554 119.301 118.700 0.078 0.000 2.754 147 N HA -0.210 4.531 4.740 0.001 0.000 0.248 147 N C 0.272 175.891 175.510 0.182 0.000 1.093 147 N CA 0.977 54.097 53.050 0.117 0.000 0.699 147 N CB -2.019 36.534 38.487 0.111 0.000 1.016 147 N HN 1.410 nan 8.380 nan 0.000 0.552 148 S N -3.016 112.794 115.700 0.182 0.000 3.477 148 S HA -0.330 4.141 4.470 0.001 0.000 0.357 148 S C 0.122 174.928 174.600 0.343 0.000 1.083 148 S CA 1.180 59.541 58.200 0.269 0.000 1.042 148 S CB -2.268 61.028 63.200 0.160 0.000 0.911 148 S HN 0.617 nan 8.310 nan 0.000 0.490 149 Y N 3.014 123.419 120.300 0.174 0.000 2.465 149 Y HA 0.437 4.988 4.550 0.001 0.000 0.331 149 Y C 0.280 176.329 175.900 0.249 0.000 1.102 149 Y CA 0.234 58.420 58.100 0.142 0.000 1.358 149 Y CB 0.515 39.002 38.460 0.045 0.000 1.213 149 Y HN 0.662 nan 8.280 nan 0.000 0.525 150 Q N 5.463 124.930 119.800 -0.555 0.000 2.389 150 Q HA 0.444 4.785 4.340 0.001 0.000 0.277 150 Q C -1.952 173.647 176.000 -0.669 0.000 1.082 150 Q CA -1.167 54.348 55.803 -0.481 0.000 0.810 150 Q CB 2.509 31.290 28.738 0.072 0.000 1.374 150 Q HN 0.807 nan 8.270 nan 0.000 0.422 151 N N 1.613 119.938 118.700 -0.625 0.000 2.406 151 N HA 0.318 5.059 4.740 0.001 0.000 0.283 151 N C -2.042 173.179 175.510 -0.482 0.000 1.074 151 N CA -0.242 52.598 53.050 -0.351 0.000 0.916 151 N CB 1.835 40.200 38.487 -0.204 0.000 1.639 151 N HN 0.654 nan 8.380 nan 0.000 0.485 152 Y N 0.998 121.359 120.300 0.102 0.000 2.406 152 Y HA 0.403 4.953 4.550 0.001 0.000 0.340 152 Y C -0.672 175.278 175.900 0.083 0.000 0.975 152 Y CA -0.754 57.392 58.100 0.077 0.000 1.056 152 Y CB 1.920 40.403 38.460 0.037 0.000 1.210 152 Y HN 0.413 nan 8.280 nan 0.000 0.448 153 D N 2.823 123.337 120.400 0.191 0.000 2.764 153 D HA 0.454 5.095 4.640 0.001 0.000 0.227 153 D C -1.902 174.461 176.300 0.105 0.000 1.347 153 D CA -0.216 53.858 54.000 0.123 0.000 0.953 153 D CB 1.959 42.804 40.800 0.076 0.000 1.476 153 D HN 0.311 nan 8.370 nan 0.000 0.585 154 V N 2.026 121.996 119.914 0.093 0.000 2.555 154 V HA 0.767 4.888 4.120 0.001 0.000 0.302 154 V C 0.078 176.203 176.094 0.051 0.000 1.038 154 V CA -0.703 61.646 62.300 0.081 0.000 0.887 154 V CB 1.544 33.420 31.823 0.090 0.000 0.991 154 V HN 0.566 nan 8.190 nan 0.000 0.434 155 S N 2.602 118.318 115.700 0.026 0.000 2.546 155 S HA 0.792 5.263 4.470 0.001 0.000 0.272 155 S C -0.929 173.653 174.600 -0.030 0.000 1.140 155 S CA -0.221 57.978 58.200 -0.001 0.000 0.920 155 S CB 2.179 65.361 63.200 -0.031 0.000 1.083 155 S HN 1.083 nan 8.310 nan 0.000 0.476 156 T N 2.486 117.028 114.554 -0.020 0.000 3.012 156 T HA 0.548 4.899 4.350 0.001 0.000 0.330 156 T C -2.071 172.618 174.700 -0.019 0.000 1.321 156 T CA -0.483 61.588 62.100 -0.048 0.000 1.067 156 T CB 1.635 70.475 68.868 -0.048 0.000 1.235 156 T HN 0.914 nan 8.240 nan 0.000 0.479 157 Q N 3.267 123.044 119.800 -0.038 0.000 2.347 157 Q HA 0.812 5.152 4.340 0.001 0.000 0.271 157 Q C -1.472 174.513 176.000 -0.026 0.000 1.064 157 Q CA -0.837 54.957 55.803 -0.016 0.000 0.800 157 Q CB 2.307 31.036 28.738 -0.015 0.000 1.304 157 Q HN 0.467 nan 8.270 nan 0.000 0.438 158 Q N 1.050 120.844 119.800 -0.010 0.000 2.418 158 Q HA 0.313 4.653 4.340 0.001 0.000 0.282 158 Q C -1.608 174.386 176.000 -0.010 0.000 1.044 158 Q CA -0.573 55.222 55.803 -0.012 0.000 0.813 158 Q CB 2.560 31.296 28.738 -0.003 0.000 1.428 158 Q HN 0.641 nan 8.270 nan 0.000 0.402 159 Q N 2.239 122.030 119.800 -0.014 0.000 2.261 159 Q HA 0.207 4.548 4.340 0.001 0.000 0.252 159 Q C 0.032 176.021 176.000 -0.018 0.000 0.915 159 Q CA -0.121 55.669 55.803 -0.023 0.000 0.915 159 Q CB 1.366 30.089 28.738 -0.025 0.000 1.204 159 Q HN 0.642 nan 8.270 nan 0.000 0.421 160 L N 1.008 122.213 121.223 -0.030 0.000 2.253 160 L HA 0.106 4.447 4.340 0.001 0.000 0.205 160 L C 1.197 178.050 176.870 -0.029 0.000 1.078 160 L CA 1.502 56.329 54.840 -0.022 0.000 0.805 160 L CB -0.514 41.532 42.059 -0.022 0.000 0.963 160 L HN 0.731 nan 8.230 nan 0.000 0.459 161 G N -1.833 106.935 108.800 -0.054 0.000 3.054 161 G HA2 0.102 4.063 3.960 0.001 0.000 0.201 161 G HA3 0.102 4.063 3.960 0.001 0.000 0.201 161 G C 0.154 175.027 174.900 -0.045 0.000 1.694 161 G CA 0.110 45.181 45.100 -0.048 0.000 0.742 161 G HN 0.077 nan 8.290 nan 0.000 0.790 162 D N -0.678 119.688 120.400 -0.057 0.000 2.502 162 D HA 0.111 4.751 4.640 0.001 0.000 0.232 162 D C 1.391 177.649 176.300 -0.070 0.000 1.137 162 D CA 0.426 54.399 54.000 -0.044 0.000 0.827 162 D CB 1.126 41.914 40.800 -0.020 0.000 1.141 162 D HN 0.321 nan 8.370 nan 0.000 0.517 163 K N -0.554 119.767 120.400 -0.132 0.000 2.412 163 K HA 0.226 4.547 4.320 0.001 0.000 0.202 163 K C 0.283 176.656 176.600 -0.377 0.000 1.102 163 K CA 0.245 56.406 56.287 -0.210 0.000 1.027 163 K CB 0.386 32.765 32.500 -0.202 0.000 0.931 163 K HN -0.236 nan 8.250 nan 0.000 0.557 164 T N 1.823 116.181 114.554 -0.326 0.000 2.815 164 T HA 0.382 4.733 4.350 0.001 0.000 0.289 164 T C -1.276 173.351 174.700 -0.122 0.000 1.000 164 T CA -0.690 61.231 62.100 -0.299 0.000 0.958 164 T CB 1.390 70.071 68.868 -0.312 0.000 0.944 164 T HN 0.190 nan 8.240 nan 0.000 0.442 165 R N 2.918 123.376 120.500 -0.070 0.000 2.387 165 R HA 0.682 5.023 4.340 0.001 0.000 0.314 165 R C -1.500 174.807 176.300 0.012 0.000 0.958 165 R CA -0.514 55.571 56.100 -0.024 0.000 0.846 165 R CB 0.903 31.192 30.300 -0.018 0.000 1.147 165 R HN 0.408 nan 8.270 nan 0.000 0.447 166 V N 4.178 124.104 119.914 0.019 0.000 2.417 166 V HA 0.407 4.527 4.120 0.001 0.000 0.291 166 V C -0.471 175.653 176.094 0.049 0.000 1.024 166 V CA -0.442 61.885 62.300 0.044 0.000 0.861 166 V CB 1.985 33.834 31.823 0.043 0.000 0.985 166 V HN 0.896 nan 8.190 nan 0.000 0.436 167 T N 6.812 121.413 114.554 0.079 0.000 2.824 167 T HA 0.787 5.138 4.350 0.001 0.000 0.282 167 T C -0.666 174.123 174.700 0.147 0.000 0.993 167 T CA -0.427 61.732 62.100 0.100 0.000 0.967 167 T CB 1.258 70.200 68.868 0.124 0.000 0.960 167 T HN 0.378 nan 8.240 nan 0.000 0.441 168 L N 3.836 125.136 121.223 0.130 0.000 2.422 168 L HA 0.841 5.182 4.340 0.001 0.000 0.264 168 L C -1.150 175.801 176.870 0.136 0.000 0.984 168 L CA -1.292 53.639 54.840 0.153 0.000 0.819 168 L CB 2.036 44.154 42.059 0.098 0.000 1.330 168 L HN 0.632 nan 8.230 nan 0.000 0.410 169 L N -0.313 121.015 121.223 0.174 0.000 2.505 169 L HA 1.042 5.383 4.340 0.001 0.000 0.259 169 L C -0.773 176.166 176.870 0.115 0.000 0.952 169 L CA -0.326 54.575 54.840 0.101 0.000 0.840 169 L CB 2.199 44.271 42.059 0.022 0.000 1.358 169 L HN 0.533 nan 8.230 nan 0.000 0.409 170 G N 0.279 109.132 108.800 0.089 0.000 2.482 170 G HA2 0.601 4.562 3.960 0.001 0.000 0.317 170 G HA3 0.601 4.562 3.960 0.001 0.000 0.317 170 G C -2.134 172.819 174.900 0.089 0.000 1.241 170 G CA -0.244 44.913 45.100 0.095 0.000 0.967 170 G HN 0.849 nan 8.290 nan 0.000 0.482 171 D N -0.682 119.774 120.400 0.094 0.000 2.990 171 D HA 0.412 5.053 4.640 0.001 0.000 0.227 171 D C -1.883 174.496 176.300 0.130 0.000 1.249 171 D CA -0.520 53.537 54.000 0.096 0.000 0.891 171 D CB 1.782 42.599 40.800 0.028 0.000 1.647 171 D HN 0.329 nan 8.370 nan 0.000 0.530 172 Y N 2.685 123.011 120.300 0.043 0.000 2.364 172 Y HA 0.730 5.281 4.550 0.001 0.000 0.340 172 Y C -1.431 174.481 175.900 0.020 0.000 0.975 172 Y CA -0.614 57.507 58.100 0.036 0.000 1.089 172 Y CB 1.638 40.140 38.460 0.069 0.000 1.192 172 Y HN 0.546 nan 8.280 nan 0.000 0.454 173 A N 5.918 128.441 122.820 -0.496 0.000 2.488 173 A HA 0.491 4.811 4.320 0.001 0.000 0.295 173 A C -2.179 175.126 177.584 -0.465 0.000 1.045 173 A CA -0.517 51.320 52.037 -0.334 0.000 0.703 173 A CB 1.085 19.990 19.000 -0.158 0.000 1.271 173 A HN 0.887 nan 8.150 nan 0.000 0.400 174 H N 1.226 120.078 119.070 -0.364 0.000 2.865 174 H HA 0.780 5.336 4.556 0.001 0.000 0.362 174 H C -1.651 173.670 175.328 -0.012 0.000 1.114 174 H CA 0.424 56.332 56.048 -0.234 0.000 1.208 174 H CB 2.323 31.998 29.762 -0.145 0.000 1.727 174 H HN 0.895 nan 8.280 nan 0.000 0.534 175 T N 2.699 116.845 114.554 -0.680 0.000 2.923 175 T HA 0.352 4.703 4.350 0.001 0.000 0.311 175 T C -0.802 173.686 174.700 -0.353 0.000 1.183 175 T CA -0.393 61.551 62.100 -0.261 0.000 1.020 175 T CB 1.740 70.707 68.868 0.165 0.000 1.165 175 T HN 0.755 nan 8.240 nan 0.000 0.482 176 H N 2.137 121.126 119.070 -0.134 0.000 3.676 176 H HA 0.797 5.354 4.556 0.001 0.000 0.169 176 H C 1.380 176.721 175.328 0.021 0.000 1.513 176 H CA 1.216 57.251 56.048 -0.021 0.000 1.693 176 H CB -0.424 29.371 29.762 0.055 0.000 1.222 176 H HN 1.257 nan 8.280 nan 0.000 0.628 194 N N 1.489 120.206 118.700 0.028 0.000 2.026 194 N HA 0.034 4.775 4.740 0.001 0.000 0.239 194 N C 0.275 175.850 175.510 0.107 0.000 1.283 194 N CA -0.237 52.851 53.050 0.063 0.000 0.816 194 N CB 0.839 39.352 38.487 0.044 0.000 1.263 194 N HN 0.384 nan 8.380 nan 0.000 0.470 195 D N 0.729 121.133 120.400 0.007 0.000 2.514 195 D HA 0.167 4.808 4.640 0.001 0.000 0.249 195 D C 1.093 177.195 176.300 -0.331 0.000 1.036 195 D CA 1.379 55.275 54.000 -0.174 0.000 0.911 195 D CB 1.463 42.211 40.800 -0.087 0.000 1.145 195 D HN 0.326 nan 8.370 nan 0.000 0.495 196 G N 0.881 109.623 108.800 -0.097 0.000 2.488 196 G HA2 -0.246 3.715 3.960 0.001 0.000 0.237 196 G HA3 -0.246 3.715 3.960 0.001 0.000 0.237 196 G C -0.535 174.404 174.900 0.065 0.000 1.209 196 G CA -0.098 44.986 45.100 -0.026 0.000 0.929 196 G HN 0.350 nan 8.290 nan 0.000 0.578 197 F N 1.294 121.156 119.950 -0.147 0.000 2.449 197 F HA 0.737 5.265 4.527 0.001 0.000 0.342 197 F C -0.160 175.594 175.800 -0.076 0.000 1.127 197 F CA -1.244 56.708 58.000 -0.080 0.000 0.975 197 F CB 1.242 40.208 39.000 -0.057 0.000 1.146 197 F HN 0.556 nan 8.300 nan 0.000 0.444 198 L N 6.560 127.557 121.223 -0.377 0.000 2.349 198 L HA 0.544 4.885 4.340 0.001 0.000 0.278 198 L C -1.511 174.990 176.870 -0.616 0.000 0.996 198 L CA -0.010 54.599 54.840 -0.385 0.000 0.825 198 L CB 1.497 43.532 42.059 -0.040 0.000 1.243 198 L HN 0.670 nan 8.230 nan 0.000 0.412 199 S N 5.351 120.636 115.700 -0.691 0.000 2.594 199 S HA 0.618 5.088 4.470 0.001 0.000 0.296 199 S C -1.041 173.344 174.600 -0.358 0.000 1.124 199 S CA -0.599 57.278 58.200 -0.539 0.000 1.011 199 S CB 1.164 63.970 63.200 -0.657 0.000 1.016 199 S HN 0.712 nan 8.310 nan 0.000 0.485 200 K N 2.895 123.202 120.400 -0.156 0.000 2.426 200 K HA 0.573 4.893 4.320 0.001 0.000 0.254 200 K C -1.251 175.387 176.600 0.063 0.000 0.936 200 K CA -0.687 55.584 56.287 -0.027 0.000 0.801 200 K CB 2.105 34.638 32.500 0.054 0.000 1.139 200 K HN 0.569 nan 8.250 nan 0.000 0.424 201 T N 2.132 116.730 114.554 0.073 0.000 2.886 201 T HA 0.502 4.852 4.350 0.001 0.000 0.292 201 T C -1.373 173.402 174.700 0.126 0.000 1.012 201 T CA -0.768 61.399 62.100 0.113 0.000 0.982 201 T CB 1.438 70.325 68.868 0.032 0.000 1.018 201 T HN 0.195 nan 8.240 nan 0.000 0.451 202 L N 2.926 124.244 121.223 0.159 0.000 2.408 202 L HA 0.735 5.076 4.340 0.001 0.000 0.268 202 L C -1.904 175.090 176.870 0.207 0.000 0.986 202 L CA -1.087 53.844 54.840 0.152 0.000 0.820 202 L CB 1.728 43.853 42.059 0.111 0.000 1.303 202 L HN 0.804 nan 8.230 nan 0.000 0.411 203 Y N 3.188 123.518 120.300 0.050 0.000 2.396 203 Y HA 0.746 5.297 4.550 0.001 0.000 0.332 203 Y C -0.403 175.518 175.900 0.034 0.000 1.034 203 Y CA -0.541 57.590 58.100 0.051 0.000 1.057 203 Y CB 2.119 40.578 38.460 -0.002 0.000 1.220 203 Y HN 0.681 nan 8.280 nan 0.000 0.440 204 G N 3.001 111.596 108.800 -0.342 0.000 2.617 204 G HA2 0.789 4.749 3.960 0.001 0.000 0.306 204 G HA3 0.789 4.749 3.960 0.001 0.000 0.306 204 G C -1.976 172.736 174.900 -0.313 0.000 1.360 204 G CA -0.560 44.432 45.100 -0.180 0.000 0.983 204 G HN 1.076 nan 8.290 nan 0.000 0.496 205 A N 1.279 124.053 122.820 -0.078 0.000 2.465 205 A HA 0.710 5.031 4.320 0.001 0.000 0.292 205 A C -1.182 176.465 177.584 0.106 0.000 1.041 205 A CA -0.599 51.448 52.037 0.017 0.000 0.718 205 A CB 1.452 20.488 19.000 0.059 0.000 1.266 205 A HN 1.999 nan 8.150 nan 0.000 0.403 206 L N -0.235 121.079 121.223 0.151 0.000 2.385 206 L HA 0.950 5.291 4.340 0.001 0.000 0.273 206 L C -0.604 176.387 176.870 0.201 0.000 0.990 206 L CA -0.278 54.648 54.840 0.144 0.000 0.821 206 L CB 1.940 44.072 42.059 0.122 0.000 1.279 206 L HN 0.640 nan 8.230 nan 0.000 0.412 207 E N 2.419 122.709 120.200 0.150 0.000 2.191 207 E HA 0.386 4.737 4.350 0.001 0.000 0.263 207 E C -1.439 175.221 176.600 0.100 0.000 0.881 207 E CA -0.647 55.857 56.400 0.174 0.000 0.757 207 E CB 0.852 30.608 29.700 0.094 0.000 1.147 207 E HN 0.728 nan 8.360 nan 0.000 0.414 208 H N 3.129 122.195 119.070 -0.008 0.000 2.616 208 H HA 0.461 5.017 4.556 0.001 0.000 0.353 208 H C -1.099 174.109 175.328 -0.201 0.000 1.170 208 H CA -0.813 55.132 56.048 -0.172 0.000 1.212 208 H CB 1.499 31.035 29.762 -0.377 0.000 1.653 208 H HN 0.425 nan 8.280 nan 0.000 0.537 209 N N 3.670 122.429 118.700 0.098 0.000 2.696 209 N HA 0.131 4.871 4.740 0.001 0.000 0.246 209 N C 0.376 176.030 175.510 0.240 0.000 1.057 209 N CA -0.284 52.854 53.050 0.146 0.000 0.867 209 N CB 0.157 38.690 38.487 0.075 0.000 1.141 209 N HN 0.406 nan 8.380 nan 0.000 0.517 210 F N -0.058 120.110 119.950 0.363 0.000 2.095 210 F HA -0.165 4.363 4.527 0.001 0.000 0.298 210 F C 1.657 177.577 175.800 0.201 0.000 1.104 210 F CA 0.936 59.064 58.000 0.213 0.000 1.232 210 F CB -0.071 39.011 39.000 0.137 0.000 0.987 210 F HN 0.280 nan 8.300 nan 0.000 0.475 211 T N -4.435 110.381 114.554 0.436 0.000 2.669 211 T HA 0.185 4.536 4.350 0.001 0.000 0.283 211 T C 0.460 175.301 174.700 0.236 0.000 1.019 211 T CA -0.574 61.706 62.100 0.300 0.000 1.039 211 T CB 0.947 70.004 68.868 0.315 0.000 1.374 211 T HN -0.075 nan 8.240 nan 0.000 0.523 212 D N 0.380 120.882 120.400 0.169 0.000 2.190 212 D HA -0.078 4.563 4.640 0.001 0.000 0.200 212 D C 1.713 178.048 176.300 0.058 0.000 0.992 212 D CA 1.634 55.695 54.000 0.100 0.000 0.854 212 D CB -0.058 40.789 40.800 0.078 0.000 0.936 212 D HN 0.649 nan 8.370 nan 0.000 0.462 213 A N -0.347 122.510 122.820 0.061 0.000 2.074 213 A HA 0.136 4.457 4.320 0.001 0.000 0.200 213 A C 0.222 177.712 177.584 -0.156 0.000 1.335 213 A CA -0.442 51.490 52.037 -0.176 0.000 0.922 213 A CB -0.081 18.630 19.000 -0.482 0.000 0.972 213 A HN 0.032 nan 8.150 nan 0.000 0.475 214 W N 1.820 123.176 121.300 0.093 0.000 2.272 214 W HA 0.508 5.169 4.660 0.001 0.000 0.318 214 W C 0.270 177.015 176.519 0.377 0.000 1.255 214 W CA 0.874 58.387 57.345 0.280 0.000 1.200 214 W CB 1.056 30.716 29.460 0.334 0.000 1.170 214 W HN 0.322 nan 8.180 nan 0.000 0.549 215 S N 1.914 118.006 115.700 0.653 0.000 2.547 215 S HA 0.919 5.389 4.470 0.001 0.000 0.270 215 S C -0.646 174.308 174.600 0.590 0.000 1.150 215 S CA -1.012 57.494 58.200 0.510 0.000 0.850 215 S CB 1.796 65.167 63.200 0.285 0.000 1.118 215 S HN 0.782 nan 8.310 nan 0.000 0.461 216 G N 0.329 109.417 108.800 0.480 0.000 2.704 216 G HA2 0.799 4.760 3.960 0.001 0.000 0.293 216 G HA3 0.799 4.760 3.960 0.001 0.000 0.293 216 G C -1.565 173.598 174.900 0.437 0.000 1.421 216 G CA -0.890 44.508 45.100 0.496 0.000 0.870 216 G HN 1.552 nan 8.290 nan 0.000 0.492 217 F N -0.334 119.736 119.950 0.199 0.000 2.622 217 F HA 0.687 5.215 4.527 0.001 0.000 0.318 217 F C -0.714 175.186 175.800 0.167 0.000 1.135 217 F CA -1.407 56.689 58.000 0.161 0.000 1.015 217 F CB 1.111 40.196 39.000 0.142 0.000 1.275 217 F HN 0.599 nan 8.300 nan 0.000 0.457 218 V N 1.200 121.238 119.914 0.206 0.000 2.834 218 V HA 0.805 4.925 4.120 0.001 0.000 0.313 218 V C -0.442 175.837 176.094 0.308 0.000 1.060 218 V CA -0.907 61.507 62.300 0.190 0.000 0.989 218 V CB 1.792 33.731 31.823 0.194 0.000 1.041 218 V HN 1.173 nan 8.190 nan 0.000 0.459 219 R N 1.134 121.813 120.500 0.298 0.000 2.792 219 R HA 0.509 4.850 4.340 0.001 0.000 0.285 219 R C -0.804 175.432 176.300 -0.106 0.000 1.207 219 R CA 0.147 56.333 56.100 0.144 0.000 1.091 219 R CB 1.544 32.026 30.300 0.303 0.000 1.263 219 R HN 1.257 nan 8.270 nan 0.000 0.403 220 G N 3.526 111.993 108.800 -0.555 0.000 2.566 220 G HA2 0.646 4.607 3.960 0.001 0.000 0.311 220 G HA3 0.646 4.607 3.960 0.001 0.000 0.311 220 G C -1.715 172.671 174.900 -0.857 0.000 1.322 220 G CA -0.540 43.687 45.100 -1.455 0.000 0.969 220 G HN 0.495 nan 8.290 nan 0.000 0.490 221 Y N -0.481 119.360 120.300 -0.764 0.000 2.482 221 Y HA 0.791 5.342 4.550 0.001 0.000 0.334 221 Y C -0.042 175.730 175.900 -0.213 0.000 1.091 221 Y CA -1.392 56.509 58.100 -0.330 0.000 1.027 221 Y CB 1.353 39.810 38.460 -0.004 0.000 1.306 221 Y HN 0.834 nan 8.280 nan 0.000 0.446 222 G N 1.626 110.436 108.800 0.017 0.000 2.605 222 G HA2 0.684 4.645 3.960 0.001 0.000 0.296 222 G HA3 0.684 4.645 3.960 0.001 0.000 0.296 222 G C -2.199 172.779 174.900 0.130 0.000 1.304 222 G CA -1.231 43.834 45.100 -0.058 0.000 0.941 222 G HN 0.967 nan 8.290 nan 0.000 0.475 223 Y N -1.350 118.982 120.300 0.053 0.000 2.544 223 Y HA 0.697 5.248 4.550 0.001 0.000 0.342 223 Y C -1.564 174.354 175.900 0.029 0.000 1.062 223 Y CA -1.650 56.466 58.100 0.026 0.000 1.023 223 Y CB 1.726 40.171 38.460 -0.025 0.000 1.308 223 Y HN 0.303 nan 8.280 nan 0.000 0.457 224 D N 1.680 122.172 120.400 0.154 0.000 2.278 224 D HA 0.361 5.002 4.640 0.001 0.000 0.245 224 D C -1.328 174.964 176.300 -0.013 0.000 1.052 224 D CA -0.564 53.441 54.000 0.008 0.000 0.834 224 D CB 1.538 42.358 40.800 0.032 0.000 1.194 224 D HN 0.712 nan 8.370 nan 0.000 0.481 225 N N 1.399 120.065 118.700 -0.057 0.000 2.540 225 N HA 0.214 4.955 4.740 0.001 0.000 0.275 225 N C -0.772 174.748 175.510 0.017 0.000 1.053 225 N CA -0.694 52.371 53.050 0.025 0.000 0.876 225 N CB 1.862 40.510 38.487 0.267 0.000 1.284 225 N HN -0.066 nan 8.380 nan 0.000 0.518 226 R N 1.989 122.481 120.500 -0.013 0.000 2.202 226 R HA 0.336 4.677 4.340 0.001 0.000 0.334 226 R C -0.940 175.441 176.300 0.134 0.000 1.036 226 R CA 0.068 56.194 56.100 0.043 0.000 0.878 226 R CB 1.033 31.343 30.300 0.016 0.000 1.067 226 R HN 0.446 nan 8.270 nan 0.000 0.457 227 T N 3.473 118.140 114.554 0.189 0.000 2.886 227 T HA 0.418 4.769 4.350 0.001 0.000 0.292 227 T C -0.835 173.952 174.700 0.145 0.000 1.012 227 T CA -0.737 61.513 62.100 0.249 0.000 0.982 227 T CB 0.835 69.916 68.868 0.355 0.000 1.018 227 T HN 0.480 nan 8.240 nan 0.000 0.451 228 N N 3.036 121.789 118.700 0.087 0.000 2.417 228 N HA 0.596 5.337 4.740 0.001 0.000 0.300 228 N C -1.255 174.293 175.510 0.063 0.000 1.102 228 N CA -0.225 52.796 53.050 -0.048 0.000 0.886 228 N CB 1.782 40.226 38.487 -0.072 0.000 1.203 228 N HN 0.775 nan 8.380 nan 0.000 0.496 229 Y N -2.069 118.237 120.300 0.010 0.000 2.638 229 Y HA 0.400 4.950 4.550 0.001 0.000 0.335 229 Y C -1.311 174.611 175.900 0.037 0.000 1.155 229 Y CA -1.525 56.594 58.100 0.031 0.000 1.046 229 Y CB 0.350 38.831 38.460 0.035 0.000 1.303 229 Y HN 0.359 nan 8.280 nan 0.000 0.460 230 D N 1.152 121.724 120.400 0.287 0.000 2.277 230 D HA 0.580 5.221 4.640 0.001 0.000 0.249 230 D C -0.578 175.907 176.300 0.308 0.000 1.134 230 D CA -0.353 53.757 54.000 0.183 0.000 0.863 230 D CB 1.660 42.509 40.800 0.082 0.000 1.143 230 D HN 0.923 nan 8.370 nan 0.000 0.458 231 A N 2.108 125.065 122.820 0.228 0.000 2.380 231 A HA 0.474 4.795 4.320 0.001 0.000 0.315 231 A C -1.243 176.478 177.584 0.229 0.000 1.101 231 A CA -1.023 51.183 52.037 0.282 0.000 0.771 231 A CB 0.738 19.903 19.000 0.276 0.000 1.287 231 A HN 0.660 nan 8.150 nan 0.000 0.436 232 Y N 1.093 121.461 120.300 0.114 0.000 2.632 232 Y HA 0.242 4.793 4.550 0.001 0.000 0.329 232 Y C -0.383 175.586 175.900 0.116 0.000 1.174 232 Y CA 0.868 59.022 58.100 0.090 0.000 1.469 232 Y CB 0.041 38.524 38.460 0.038 0.000 1.242 232 Y HN 0.610 nan 8.280 nan 0.000 0.540 233 Y N 5.620 125.714 120.300 -0.343 0.000 2.313 233 Y HA 0.447 4.998 4.550 0.001 0.000 0.332 233 Y C -0.606 175.153 175.900 -0.234 0.000 1.071 233 Y CA -0.342 57.634 58.100 -0.206 0.000 1.169 233 Y CB 1.058 39.413 38.460 -0.174 0.000 1.192 233 Y HN 0.562 nan 8.280 nan 0.000 0.487 234 S N 8.603 123.882 115.700 -0.701 0.000 2.677 234 S HA 0.503 4.974 4.470 0.001 0.000 0.283 234 S C -3.002 171.167 174.600 -0.718 0.000 1.159 234 S CA -1.640 56.239 58.200 -0.535 0.000 1.001 234 S CB 0.983 64.108 63.200 -0.125 0.000 1.032 234 S HN 0.567 nan 8.310 nan 0.000 0.487 235 P HA 0.186 nan 4.420 nan 0.000 0.266 235 P C 0.968 178.162 177.300 -0.177 0.000 1.193 235 P CA 1.235 64.147 63.100 -0.314 0.000 0.770 235 P CB 0.144 31.799 31.700 -0.075 0.000 0.836 236 G N 0.979 109.724 108.800 -0.091 0.000 2.166 236 G HA2 -0.212 3.749 3.960 0.001 0.000 0.260 236 G HA3 -0.212 3.749 3.960 0.001 0.000 0.260 236 G C 0.063 174.930 174.900 -0.056 0.000 0.986 236 G CA 0.292 45.371 45.100 -0.034 0.000 0.683 236 G HN 0.697 nan 8.290 nan 0.000 0.527 237 S N 0.501 116.128 115.700 -0.121 0.000 2.547 237 S HA 0.643 5.113 4.470 0.001 0.000 0.281 237 S C -2.548 171.958 174.600 -0.156 0.000 1.118 237 S CA -0.905 57.208 58.200 -0.145 0.000 0.947 237 S CB 2.772 65.893 63.200 -0.132 0.000 1.053 237 S HN 0.176 nan 8.310 nan 0.000 0.482 238 P HA 0.193 nan 4.420 nan 0.000 0.269 238 P C -0.909 176.369 177.300 -0.037 0.000 1.209 238 P CA -0.377 62.608 63.100 -0.190 0.000 0.776 238 P CB 0.418 31.778 31.700 -0.566 0.000 0.876 239 L N 3.275 124.541 121.223 0.073 0.000 2.302 239 L HA 0.147 4.488 4.340 0.001 0.000 0.285 239 L C -0.189 176.706 176.870 0.043 0.000 1.090 239 L CA -0.676 54.217 54.840 0.088 0.000 0.866 239 L CB -0.162 41.982 42.059 0.141 0.000 1.244 239 L HN 0.264 nan 8.230 nan 0.000 0.435 240 L N 4.303 125.555 121.223 0.049 0.000 2.505 240 L HA 0.040 4.380 4.340 0.001 0.000 0.279 240 L C 0.784 177.635 176.870 -0.032 0.000 1.211 240 L CA 0.325 55.188 54.840 0.038 0.000 1.059 240 L CB -0.357 41.782 42.059 0.133 0.000 1.340 240 L HN 0.520 nan 8.230 nan 0.000 0.447 241 D N -1.691 118.513 120.400 -0.326 0.000 2.503 241 D HA 0.074 4.714 4.640 0.001 0.000 0.218 241 D C 0.089 175.710 176.300 -1.132 0.000 1.183 241 D CA -0.164 53.352 54.000 -0.806 0.000 0.827 241 D CB 0.421 40.996 40.800 -0.375 0.000 1.034 241 D HN 0.219 nan 8.370 nan 0.000 0.510 242 T N 0.347 114.435 114.554 -0.777 0.000 2.848 242 T HA 0.516 4.867 4.350 0.001 0.000 0.285 242 T C -0.874 173.628 174.700 -0.330 0.000 0.995 242 T CA -0.788 60.945 62.100 -0.611 0.000 0.970 242 T CB 2.471 70.877 68.868 -0.770 0.000 0.976 242 T HN 0.043 nan 8.240 nan 0.000 0.441 243 R N 2.163 122.670 120.500 0.012 0.000 2.439 243 R HA 0.496 4.837 4.340 0.001 0.000 0.310 243 R C -1.082 175.343 176.300 0.210 0.000 0.955 243 R CA -0.707 55.533 56.100 0.233 0.000 0.853 243 R CB 0.771 31.288 30.300 0.362 0.000 1.171 243 R HN 0.435 nan 8.270 nan 0.000 0.449 244 K N 4.505 125.080 120.400 0.292 0.000 2.339 244 K HA 0.320 4.640 4.320 0.001 0.000 0.264 244 K C -1.388 175.242 176.600 0.050 0.000 0.986 244 K CA -0.792 55.562 56.287 0.112 0.000 0.866 244 K CB 1.524 34.090 32.500 0.110 0.000 1.103 244 K HN 0.317 nan 8.250 nan 0.000 0.441 245 L N 4.579 125.722 121.223 -0.134 0.000 2.325 245 L HA 0.424 4.764 4.340 0.001 0.000 0.281 245 L C -1.745 174.956 176.870 -0.280 0.000 1.004 245 L CA -0.369 54.436 54.840 -0.058 0.000 0.823 245 L CB 0.653 42.771 42.059 0.099 0.000 1.236 245 L HN 0.464 nan 8.230 nan 0.000 0.415 246 Y N 3.268 123.629 120.300 0.102 0.000 2.328 246 Y HA 0.674 5.225 4.550 0.001 0.000 0.336 246 Y C 0.227 176.052 175.900 -0.126 0.000 0.960 246 Y CA -0.535 57.558 58.100 -0.010 0.000 1.134 246 Y CB 2.078 40.550 38.460 0.019 0.000 1.166 246 Y HN 0.593 nan 8.280 nan 0.000 0.464 247 S N 3.570 119.123 115.700 -0.244 0.000 2.536 247 S HA 0.691 5.161 4.470 0.001 0.000 0.287 247 S C -1.330 172.986 174.600 -0.474 0.000 1.101 247 S CA -0.648 57.316 58.200 -0.394 0.000 0.950 247 S CB 1.129 63.972 63.200 -0.595 0.000 1.056 247 S HN 0.727 nan 8.310 nan 0.000 0.481 248 Q N 1.555 121.168 119.800 -0.310 0.000 2.416 248 Q HA 0.837 5.178 4.340 0.001 0.000 0.281 248 Q C -1.454 174.322 176.000 -0.374 0.000 1.067 248 Q CA -1.015 54.588 55.803 -0.333 0.000 0.809 248 Q CB 1.898 30.542 28.738 -0.157 0.000 1.418 248 Q HN 0.442 nan 8.270 nan 0.000 0.411 249 S N 0.208 115.513 115.700 -0.659 0.000 2.549 249 S HA 0.674 5.145 4.470 0.001 0.000 0.280 249 S C -1.792 172.411 174.600 -0.661 0.000 1.109 249 S CA -0.751 57.089 58.200 -0.600 0.000 0.905 249 S CB 0.872 63.584 63.200 -0.813 0.000 1.081 249 S HN 0.598 nan 8.310 nan 0.000 0.477 250 W N 1.768 122.984 121.300 -0.141 0.000 2.728 250 W HA 0.385 5.045 4.660 0.001 0.000 0.324 250 W C -1.265 175.292 176.519 0.063 0.000 1.012 250 W CA -0.441 56.896 57.345 -0.013 0.000 1.279 250 W CB 1.154 30.658 29.460 0.073 0.000 1.289 250 W HN 0.465 nan 8.180 nan 0.000 0.418 251 D N 2.479 123.047 120.400 0.280 0.000 2.163 251 D HA 0.707 5.348 4.640 0.001 0.000 0.248 251 D C -0.479 175.914 176.300 0.154 0.000 1.035 251 D CA -0.425 53.736 54.000 0.269 0.000 0.872 251 D CB 2.048 43.085 40.800 0.395 0.000 1.183 251 D HN 0.301 nan 8.370 nan 0.000 0.445 252 A N 0.828 123.622 122.820 -0.043 0.000 2.437 252 A HA 0.744 5.064 4.320 0.001 0.000 0.293 252 A C -0.203 177.070 177.584 -0.517 0.000 1.038 252 A CA -0.565 51.293 52.037 -0.297 0.000 0.708 252 A CB 1.858 20.813 19.000 -0.076 0.000 1.251 252 A HN 0.564 nan 8.150 nan 0.000 0.409 253 G N -0.140 108.034 108.800 -1.043 0.000 2.733 253 G HA2 0.705 4.666 3.960 0.001 0.000 0.288 253 G HA3 0.705 4.666 3.960 0.001 0.000 0.288 253 G C -1.705 173.104 174.900 -0.153 0.000 1.373 253 G CA -0.671 44.041 45.100 -0.647 0.000 0.895 253 G HN 1.037 nan 8.290 nan 0.000 0.479 254 L N 0.248 121.544 121.223 0.122 0.000 2.580 254 L HA 0.522 4.863 4.340 0.001 0.000 0.266 254 L C -0.866 176.168 176.870 0.274 0.000 0.955 254 L CA -0.635 54.358 54.840 0.254 0.000 0.886 254 L CB 1.830 44.010 42.059 0.201 0.000 1.263 254 L HN 0.551 nan 8.230 nan 0.000 0.406 255 R N 3.430 124.116 120.500 0.310 0.000 2.437 255 R HA 0.365 4.706 4.340 0.001 0.000 0.310 255 R C -1.593 174.736 176.300 0.047 0.000 0.955 255 R CA -0.686 55.543 56.100 0.215 0.000 0.851 255 R CB 2.456 32.896 30.300 0.234 0.000 1.161 255 R HN 0.400 nan 8.270 nan 0.000 0.446 256 Y N 2.575 122.740 120.300 -0.226 0.000 2.369 256 Y HA 0.262 4.813 4.550 0.001 0.000 0.337 256 Y C -0.733 175.066 175.900 -0.168 0.000 0.961 256 Y CA -0.712 57.102 58.100 -0.477 0.000 1.186 256 Y CB 0.981 38.926 38.460 -0.859 0.000 1.139 256 Y HN 0.553 nan 8.280 nan 0.000 0.494 257 N N 4.452 122.826 118.700 -0.544 0.000 2.707 257 N HA 0.429 5.169 4.740 0.001 0.000 0.235 257 N C -0.113 175.105 175.510 -0.488 0.000 1.028 257 N CA -0.202 52.657 53.050 -0.318 0.000 0.906 257 N CB 0.523 38.942 38.487 -0.112 0.000 1.131 257 N HN 0.849 nan 8.380 nan 0.000 0.509 258 G N 0.416 108.972 108.800 -0.407 0.000 2.557 258 G HA2 0.098 4.059 3.960 0.001 0.000 0.302 258 G HA3 0.098 4.059 3.960 0.001 0.000 0.302 258 G C 0.324 175.206 174.900 -0.030 0.000 1.311 258 G CA -0.345 44.644 45.100 -0.186 0.000 1.030 258 G HN 0.543 nan 8.290 nan 0.000 0.509 259 E N -1.348 118.865 120.200 0.023 0.000 2.299 259 E HA 0.100 4.451 4.350 0.001 0.000 0.193 259 E C 1.690 178.302 176.600 0.019 0.000 0.998 259 E CA 0.395 56.806 56.400 0.019 0.000 0.851 259 E CB 0.062 29.779 29.700 0.029 0.000 0.795 259 E HN 0.387 nan 8.360 nan 0.000 0.492 260 L N -0.351 120.892 121.223 0.034 0.000 2.885 260 L HA 0.276 4.616 4.340 0.001 0.000 0.251 260 L C 0.337 177.203 176.870 -0.007 0.000 1.071 260 L CA -0.165 54.681 54.840 0.010 0.000 0.956 260 L CB 0.697 42.763 42.059 0.012 0.000 1.483 260 L HN 0.024 nan 8.230 nan 0.000 0.525 261 I N -2.087 118.504 120.570 0.035 0.000 2.530 261 I HA 0.636 4.807 4.170 0.001 0.000 0.297 261 I C -0.923 175.229 176.117 0.060 0.000 1.011 261 I CA -0.610 60.695 61.300 0.007 0.000 1.107 261 I CB 1.736 39.737 38.000 0.000 0.000 1.285 261 I HN -0.187 nan 8.210 nan 0.000 0.436 262 K N 3.204 123.560 120.400 -0.074 0.000 2.378 262 K HA 0.672 4.993 4.320 0.001 0.000 0.252 262 K C -0.976 175.664 176.600 0.068 0.000 0.931 262 K CA -0.600 55.675 56.287 -0.021 0.000 0.794 262 K CB 2.186 34.572 32.500 -0.189 0.000 1.181 262 K HN 0.665 nan 8.250 nan 0.000 0.425 263 S N 2.056 117.928 115.700 0.287 0.000 2.532 263 S HA 0.392 4.863 4.470 0.001 0.000 0.299 263 S C -1.486 173.383 174.600 0.449 0.000 1.105 263 S CA -0.684 57.745 58.200 0.382 0.000 1.018 263 S CB 0.725 64.106 63.200 0.302 0.000 1.021 263 S HN 0.497 nan 8.310 nan 0.000 0.483 264 Q N 3.405 123.529 119.800 0.541 0.000 2.327 264 Q HA 0.430 4.771 4.340 0.001 0.000 0.270 264 Q C -1.535 174.705 176.000 0.400 0.000 1.022 264 Q CA -0.671 55.372 55.803 0.401 0.000 0.773 264 Q CB 1.933 30.834 28.738 0.272 0.000 1.251 264 Q HN 0.510 nan 8.270 nan 0.000 0.457 265 L N 5.628 126.987 121.223 0.226 0.000 2.294 265 L HA 0.590 4.931 4.340 0.001 0.000 0.283 265 L C -1.347 175.592 176.870 0.115 0.000 1.015 265 L CA -0.349 54.537 54.840 0.076 0.000 0.831 265 L CB 0.931 42.932 42.059 -0.096 0.000 1.217 265 L HN 0.705 nan 8.230 nan 0.000 0.420 266 I N 3.994 124.653 120.570 0.148 0.000 2.533 266 I HA 0.399 4.570 4.170 0.001 0.000 0.290 266 I C -0.264 175.949 176.117 0.160 0.000 1.056 266 I CA -0.232 61.166 61.300 0.163 0.000 1.057 266 I CB 2.600 40.748 38.000 0.247 0.000 1.240 266 I HN 0.622 nan 8.210 nan 0.000 0.423 267 T N 1.115 115.745 114.554 0.127 0.000 2.886 267 T HA 0.749 5.100 4.350 0.001 0.000 0.292 267 T C -0.598 174.218 174.700 0.193 0.000 1.012 267 T CA -0.703 61.500 62.100 0.172 0.000 0.982 267 T CB 1.798 70.747 68.868 0.134 0.000 1.018 267 T HN 0.384 nan 8.240 nan 0.000 0.451 268 S N 1.262 117.104 115.700 0.238 0.000 2.569 268 S HA 0.676 5.146 4.470 0.001 0.000 0.280 268 S C -1.990 172.764 174.600 0.256 0.000 1.111 268 S CA -0.852 57.488 58.200 0.233 0.000 0.887 268 S CB 1.532 64.851 63.200 0.198 0.000 1.095 268 S HN 0.845 nan 8.310 nan 0.000 0.476 269 Y N 1.435 121.774 120.300 0.065 0.000 2.322 269 Y HA 0.599 5.149 4.550 0.001 0.000 0.324 269 Y C -1.093 174.770 175.900 -0.063 0.000 1.027 269 Y CA -0.426 57.616 58.100 -0.097 0.000 1.179 269 Y CB 1.021 39.419 38.460 -0.104 0.000 1.136 269 Y HN 0.546 nan 8.280 nan 0.000 0.449 270 S N 5.563 120.938 115.700 -0.542 0.000 2.454 270 S HA 0.364 4.835 4.470 0.001 0.000 0.306 270 S C -1.471 172.744 174.600 -0.641 0.000 1.100 270 S CA -0.564 57.339 58.200 -0.495 0.000 1.087 270 S CB 0.728 63.796 63.200 -0.219 0.000 1.019 270 S HN 0.823 nan 8.310 nan 0.000 0.480 271 H N 1.203 119.916 119.070 -0.594 0.000 2.529 271 H HA 0.623 5.179 4.556 0.001 0.000 0.348 271 H C -0.727 174.482 175.328 -0.199 0.000 1.079 271 H CA -0.462 55.354 56.048 -0.387 0.000 1.198 271 H CB 0.923 30.494 29.762 -0.318 0.000 1.521 271 H HN 0.662 nan 8.280 nan 0.000 0.514 272 S N 4.285 120.128 115.700 0.239 0.000 2.548 272 S HA 0.470 4.941 4.470 0.001 0.000 0.276 272 S C -1.372 173.332 174.600 0.174 0.000 1.129 272 S CA -1.159 57.118 58.200 0.128 0.000 0.931 272 S CB 2.114 65.338 63.200 0.039 0.000 1.068 272 S HN 0.651 nan 8.310 nan 0.000 0.480 273 K N 1.487 121.987 120.400 0.166 0.000 2.413 273 K HA 0.459 4.780 4.320 0.001 0.000 0.257 273 K C -1.808 174.888 176.600 0.159 0.000 0.946 273 K CA -0.566 55.805 56.287 0.141 0.000 0.823 273 K CB 1.639 34.285 32.500 0.244 0.000 1.109 273 K HN 0.637 nan 8.250 nan 0.000 0.427 274 D N 2.993 123.374 120.400 -0.032 0.000 2.438 274 D HA 0.172 4.813 4.640 0.001 0.000 0.257 274 D C -1.320 174.969 176.300 -0.019 0.000 1.148 274 D CA -0.422 53.602 54.000 0.040 0.000 0.902 274 D CB 0.303 41.112 40.800 0.015 0.000 1.062 274 D HN 0.266 nan 8.370 nan 0.000 0.518 275 Y N 1.710 122.103 120.300 0.155 0.000 2.316 275 Y HA 0.381 4.932 4.550 0.001 0.000 0.331 275 Y C 0.944 177.001 175.900 0.261 0.000 1.083 275 Y CA -0.373 57.845 58.100 0.196 0.000 1.206 275 Y CB 0.966 39.547 38.460 0.202 0.000 1.195 275 Y HN 0.161 nan 8.280 nan 0.000 0.497 276 N N 3.917 122.847 118.700 0.384 0.000 2.399 276 N HA 0.328 5.069 4.740 0.001 0.000 0.284 276 N C -1.529 174.191 175.510 0.349 0.000 1.025 276 N CA -0.544 52.703 53.050 0.330 0.000 0.885 276 N CB 2.304 40.960 38.487 0.282 0.000 1.339 276 N HN 0.675 nan 8.380 nan 0.000 0.487 277 Y N -1.250 119.135 120.300 0.142 0.000 2.705 277 Y HA 0.469 5.020 4.550 0.001 0.000 0.332 277 Y C -1.556 174.391 175.900 0.079 0.000 1.221 277 Y CA -1.318 56.846 58.100 0.106 0.000 1.059 277 Y CB 0.976 39.492 38.460 0.093 0.000 1.298 277 Y HN 0.161 nan 8.280 nan 0.000 0.459 278 D N 2.605 123.137 120.400 0.220 0.000 2.373 278 D HA 0.430 5.071 4.640 0.001 0.000 0.227 278 D C -1.907 174.579 176.300 0.309 0.000 1.091 278 D CA -2.662 51.444 54.000 0.175 0.000 0.840 278 D CB 1.597 42.562 40.800 0.275 0.000 1.060 278 D HN 0.274 nan 8.370 nan 0.000 0.502 279 P HA -0.254 nan 4.420 nan 0.000 0.222 279 P C 0.685 178.028 177.300 0.071 0.000 1.155 279 P CA 1.641 64.814 63.100 0.121 0.000 0.890 279 P CB 0.083 31.702 31.700 -0.136 0.000 0.790 280 H N -3.216 115.957 119.070 0.171 0.000 2.357 280 H HA -0.103 4.453 4.556 0.001 0.000 0.301 280 H C 1.954 177.312 175.328 0.050 0.000 1.082 280 H CA 1.392 57.496 56.048 0.093 0.000 1.342 280 H CB -0.718 29.088 29.762 0.074 0.000 1.389 280 H HN 0.207 nan 8.280 nan 0.000 0.511 281 Y N -0.184 120.252 120.300 0.226 0.000 2.314 281 Y HA 0.164 4.714 4.550 0.001 0.000 0.294 281 Y C 1.430 177.417 175.900 0.144 0.000 1.119 281 Y CA 0.988 59.189 58.100 0.168 0.000 1.179 281 Y CB 0.399 38.953 38.460 0.157 0.000 1.025 281 Y HN 0.351 nan 8.280 nan 0.000 0.541 282 G N -0.569 108.416 108.800 0.308 0.000 2.576 282 G HA2 -0.161 3.800 3.960 0.001 0.000 0.686 282 G HA3 -0.161 3.800 3.960 0.001 0.000 0.686 282 G C 0.165 175.057 174.900 -0.013 0.000 1.242 282 G CA -0.324 44.858 45.100 0.137 0.000 0.819 282 G HN 0.105 nan 8.290 nan 0.000 0.655 283 R N -0.291 119.922 120.500 -0.479 0.000 2.148 283 R HA 0.033 4.374 4.340 0.001 0.000 0.223 283 R C 1.463 177.433 176.300 -0.551 0.000 1.088 283 R CA 1.783 57.303 56.100 -0.968 0.000 0.985 283 R CB -0.105 29.283 30.300 -1.519 0.000 0.880 283 R HN 0.676 nan 8.270 nan 0.000 0.451 284 Y N -0.665 119.600 120.300 -0.057 0.000 2.449 284 Y HA 0.151 4.702 4.550 0.001 0.000 0.254 284 Y C 0.279 176.228 175.900 0.081 0.000 1.140 284 Y CA -0.761 57.365 58.100 0.043 0.000 1.272 284 Y CB 0.155 38.619 38.460 0.007 0.000 1.114 284 Y HN 0.028 nan 8.280 nan 0.000 0.525 285 D N 0.298 120.819 120.400 0.202 0.000 2.449 285 D HA -0.076 4.565 4.640 0.001 0.000 0.236 285 D C 1.495 177.899 176.300 0.172 0.000 1.149 285 D CA 0.821 54.942 54.000 0.201 0.000 0.878 285 D CB 1.058 42.013 40.800 0.259 0.000 1.198 285 D HN 0.192 nan 8.370 nan 0.000 0.446 286 S N 1.164 116.952 115.700 0.148 0.000 2.419 286 S HA -0.250 4.221 4.470 0.001 0.000 0.235 286 S C 1.839 176.492 174.600 0.088 0.000 1.019 286 S CA 1.310 59.576 58.200 0.110 0.000 0.982 286 S CB -0.629 62.626 63.200 0.091 0.000 0.789 286 S HN 0.501 nan 8.310 nan 0.000 0.490 287 S N 1.833 117.578 115.700 0.075 0.000 2.481 287 S HA 0.403 4.874 4.470 0.001 0.000 0.231 287 S C 0.892 175.537 174.600 0.074 0.000 0.996 287 S CA 0.144 58.357 58.200 0.020 0.000 0.942 287 S CB -0.746 62.382 63.200 -0.119 0.000 0.768 287 S HN 0.853 nan 8.310 nan 0.000 0.520 288 A N 2.515 125.415 122.820 0.132 0.000 2.407 288 A HA 0.514 4.835 4.320 0.001 0.000 0.248 288 A C 0.624 178.296 177.584 0.146 0.000 1.082 288 A CA -0.061 52.088 52.037 0.187 0.000 0.785 288 A CB 0.034 19.177 19.000 0.239 0.000 1.020 288 A HN 0.536 nan 8.150 nan 0.000 0.489 289 T N 0.594 115.238 114.554 0.151 0.000 2.743 289 T HA 0.515 4.866 4.350 0.001 0.000 0.292 289 T C -0.588 174.113 174.700 0.002 0.000 0.972 289 T CA -0.518 61.627 62.100 0.075 0.000 0.967 289 T CB 0.630 69.555 68.868 0.095 0.000 0.926 289 T HN 0.837 nan 8.240 nan 0.000 0.459 290 L N 2.399 123.567 121.223 -0.092 0.000 2.333 290 L HA 0.679 5.020 4.340 0.001 0.000 0.280 290 L C -1.512 175.230 176.870 -0.213 0.000 1.004 290 L CA -0.345 54.340 54.840 -0.258 0.000 0.820 290 L CB 1.549 43.391 42.059 -0.363 0.000 1.247 290 L HN 0.601 nan 8.230 nan 0.000 0.416 291 D N 4.236 124.507 120.400 -0.214 0.000 2.473 291 D HA 0.293 4.934 4.640 0.001 0.000 0.226 291 D C -0.733 175.503 176.300 -0.108 0.000 1.089 291 D CA 0.025 53.936 54.000 -0.149 0.000 0.883 291 D CB 0.953 41.673 40.800 -0.133 0.000 1.029 291 D HN 0.562 nan 8.370 nan 0.000 0.517 292 E N 2.389 122.542 120.200 -0.078 0.000 2.197 292 E HA 0.464 4.814 4.350 0.001 0.000 0.281 292 E C -0.914 175.671 176.600 -0.026 0.000 0.995 292 E CA -0.703 55.687 56.400 -0.016 0.000 0.808 292 E CB 0.851 30.562 29.700 0.020 0.000 1.093 292 E HN 0.209 nan 8.360 nan 0.000 0.394 293 M N 3.952 123.531 119.600 -0.035 0.000 2.238 293 M HA 0.295 4.776 4.480 0.001 0.000 0.278 293 M C -1.843 174.366 176.300 -0.152 0.000 1.040 293 M CA -0.472 54.789 55.300 -0.064 0.000 0.969 293 M CB 1.844 34.424 32.600 -0.033 0.000 1.694 293 M HN 0.444 nan 8.290 nan 0.000 0.472 294 K N 2.978 123.280 120.400 -0.164 0.000 2.244 294 K HA 0.482 4.802 4.320 0.001 0.000 0.260 294 K C -0.880 175.654 176.600 -0.109 0.000 0.951 294 K CA -0.502 55.636 56.287 -0.248 0.000 0.826 294 K CB 2.547 34.952 32.500 -0.159 0.000 1.108 294 K HN 0.635 nan 8.250 nan 0.000 0.433 295 Q N 3.137 122.776 119.800 -0.269 0.000 2.310 295 Q HA 0.305 4.645 4.340 0.001 0.000 0.270 295 Q C -1.706 174.196 176.000 -0.163 0.000 1.025 295 Q CA -0.717 55.016 55.803 -0.116 0.000 0.772 295 Q CB 1.071 29.752 28.738 -0.095 0.000 1.253 295 Q HN 0.472 nan 8.270 nan 0.000 0.450 296 Y N 0.903 121.232 120.300 0.048 0.000 2.409 296 Y HA 0.583 5.134 4.550 0.001 0.000 0.339 296 Y C -0.090 175.844 175.900 0.057 0.000 1.033 296 Y CA -0.623 57.571 58.100 0.156 0.000 1.094 296 Y CB 2.410 41.018 38.460 0.246 0.000 1.210 296 Y HN 0.490 nan 8.280 nan 0.000 0.456 297 T N -0.366 114.395 114.554 0.344 0.000 2.971 297 T HA 0.696 5.046 4.350 0.001 0.000 0.304 297 T C -1.427 173.533 174.700 0.433 0.000 1.038 297 T CA -0.834 61.458 62.100 0.319 0.000 1.007 297 T CB 1.072 70.065 68.868 0.209 0.000 1.055 297 T HN 0.318 nan 8.240 nan 0.000 0.451 298 V N 3.042 123.294 119.914 0.563 0.000 2.444 298 V HA 0.516 4.637 4.120 0.001 0.000 0.294 298 V C -0.471 175.844 176.094 0.368 0.000 1.022 298 V CA -0.725 61.816 62.300 0.403 0.000 0.850 298 V CB 1.445 33.450 31.823 0.303 0.000 0.992 298 V HN 0.927 nan 8.190 nan 0.000 0.426 299 Q N 3.336 123.316 119.800 0.301 0.000 2.353 299 Q HA 0.457 4.798 4.340 0.001 0.000 0.268 299 Q C -1.645 174.571 176.000 0.360 0.000 1.045 299 Q CA -0.658 55.346 55.803 0.335 0.000 0.811 299 Q CB 3.178 32.105 28.738 0.315 0.000 1.305 299 Q HN 0.722 nan 8.270 nan 0.000 0.447 300 W N 1.616 123.022 121.300 0.176 0.000 2.600 300 W HA 0.694 5.355 4.660 0.001 0.000 0.325 300 W C -1.498 175.120 176.519 0.164 0.000 1.034 300 W CA -1.049 56.383 57.345 0.144 0.000 1.226 300 W CB 1.603 31.116 29.460 0.089 0.000 1.379 300 W HN 0.657 nan 8.180 nan 0.000 0.466 301 A N 5.270 128.417 122.820 0.545 0.000 2.374 301 A HA 0.738 5.059 4.320 0.001 0.000 0.305 301 A C -1.278 176.586 177.584 0.466 0.000 1.053 301 A CA -0.719 51.571 52.037 0.421 0.000 0.726 301 A CB 1.121 20.353 19.000 0.387 0.000 1.229 301 A HN 0.698 nan 8.150 nan 0.000 0.431 302 N N 1.268 120.093 118.700 0.208 0.000 2.229 302 N HA 0.490 5.230 4.740 0.001 0.000 0.298 302 N C -1.357 174.024 175.510 -0.215 0.000 1.114 302 N CA -0.713 52.315 53.050 -0.037 0.000 0.776 302 N CB 2.152 40.484 38.487 -0.258 0.000 1.501 302 N HN 0.737 nan 8.380 nan 0.000 0.474 303 N N 1.197 119.589 118.700 -0.514 0.000 2.287 303 N HA 0.418 5.159 4.740 0.001 0.000 0.289 303 N C -2.018 173.304 175.510 -0.313 0.000 1.066 303 N CA -0.384 52.368 53.050 -0.496 0.000 0.841 303 N CB 2.013 39.954 38.487 -0.910 0.000 1.599 303 N HN 0.093 nan 8.380 nan 0.000 0.476 304 V N 4.358 124.160 119.914 -0.186 0.000 2.483 304 V HA 0.373 4.493 4.120 0.001 0.000 0.297 304 V C 0.272 176.315 176.094 -0.084 0.000 1.027 304 V CA -0.836 61.392 62.300 -0.120 0.000 0.855 304 V CB 1.624 33.389 31.823 -0.097 0.000 0.995 304 V HN 0.610 nan 8.190 nan 0.000 0.424 305 I N 5.387 125.917 120.570 -0.067 0.000 2.664 305 I HA 0.093 4.264 4.170 0.001 0.000 0.284 305 I C -0.074 176.019 176.117 -0.040 0.000 1.154 305 I CA 0.738 62.012 61.300 -0.043 0.000 1.402 305 I CB 0.663 38.644 38.000 -0.032 0.000 1.395 305 I HN 0.263 nan 8.210 nan 0.000 0.545 306 V N 6.342 126.236 119.914 -0.032 0.000 2.443 306 V HA 0.648 4.768 4.120 0.001 0.000 0.293 306 V C 0.743 176.817 176.094 -0.034 0.000 1.021 306 V CA -0.019 62.261 62.300 -0.034 0.000 0.848 306 V CB 1.116 32.922 31.823 -0.027 0.000 0.998 306 V HN 1.123 nan 8.190 nan 0.000 0.424 307 G N 4.273 113.029 108.800 -0.072 0.000 2.582 307 G HA2 -0.262 3.699 3.960 0.001 0.000 0.288 307 G HA3 -0.262 3.699 3.960 0.001 0.000 0.288 307 G C 0.076 174.867 174.900 -0.181 0.000 1.247 307 G CA 0.183 45.203 45.100 -0.133 0.000 0.972 307 G HN 0.848 nan 8.290 nan 0.000 0.557 308 H N 2.440 121.534 119.070 0.040 0.000 2.855 308 H HA 0.485 5.042 4.556 0.001 0.000 0.238 308 H C 1.022 176.380 175.328 0.049 0.000 1.847 308 H CA 1.089 57.163 56.048 0.043 0.000 1.368 308 H CB -0.487 29.306 29.762 0.053 0.000 1.758 308 H HN 1.209 nan 8.280 nan 0.000 0.546 309 G N 0.275 109.134 108.800 0.099 0.000 2.512 309 G HA2 0.285 4.245 3.960 0.001 0.000 0.181 309 G HA3 0.285 4.245 3.960 0.001 0.000 0.181 309 G C -1.244 173.678 174.900 0.037 0.000 1.173 309 G CA -0.041 45.108 45.100 0.081 0.000 0.988 309 G HN 0.515 nan 8.290 nan 0.000 0.485 310 S N -1.464 114.255 115.700 0.032 0.000 2.611 310 S HA 0.696 5.167 4.470 0.001 0.000 0.270 310 S C -1.617 172.986 174.600 0.006 0.000 1.131 310 S CA -0.749 57.451 58.200 -0.000 0.000 0.826 310 S CB 1.310 64.498 63.200 -0.020 0.000 1.095 310 S HN 1.109 nan 8.310 nan 0.000 0.461 311 I N 1.080 121.638 120.570 -0.021 0.000 2.498 311 I HA 0.713 4.884 4.170 0.001 0.000 0.290 311 I C 0.444 176.537 176.117 -0.040 0.000 1.032 311 I CA -0.585 60.706 61.300 -0.014 0.000 1.073 311 I CB 2.177 40.163 38.000 -0.023 0.000 1.251 311 I HN 0.967 nan 8.210 nan 0.000 0.426 312 G N 4.000 112.801 108.800 0.002 0.000 2.482 312 G HA2 0.859 4.820 3.960 0.001 0.000 0.317 312 G HA3 0.859 4.820 3.960 0.001 0.000 0.317 312 G C -1.546 173.354 174.900 0.001 0.000 1.241 312 G CA -0.754 44.350 45.100 0.007 0.000 0.967 312 G HN 0.801 nan 8.290 nan 0.000 0.482 313 A N 0.311 123.068 122.820 -0.105 0.000 2.485 313 A HA 0.860 5.180 4.320 0.001 0.000 0.285 313 A C -0.062 177.233 177.584 -0.481 0.000 1.045 313 A CA 0.109 51.972 52.037 -0.290 0.000 0.792 313 A CB 1.294 20.155 19.000 -0.231 0.000 1.307 313 A HN 1.748 nan 8.150 nan 0.000 0.406 314 G N -0.413 107.791 108.800 -0.992 0.000 2.818 314 G HA2 0.741 4.702 3.960 0.001 0.000 0.286 314 G HA3 0.741 4.702 3.960 0.001 0.000 0.286 314 G C -1.323 173.217 174.900 -0.601 0.000 1.364 314 G CA -0.440 44.247 45.100 -0.689 0.000 0.938 314 G HN 1.656 nan 8.290 nan 0.000 0.490 315 V N 0.597 120.474 119.914 -0.061 0.000 2.628 315 V HA 0.719 4.840 4.120 0.001 0.000 0.306 315 V C -1.615 174.683 176.094 0.341 0.000 1.045 315 V CA -0.786 61.604 62.300 0.150 0.000 0.905 315 V CB 1.936 33.871 31.823 0.187 0.000 0.997 315 V HN 0.937 nan 8.190 nan 0.000 0.436 316 D N 4.587 125.219 120.400 0.388 0.000 2.787 316 D HA 0.285 4.926 4.640 0.001 0.000 0.246 316 D C -1.321 175.213 176.300 0.390 0.000 1.150 316 D CA -0.407 53.825 54.000 0.388 0.000 0.864 316 D CB 1.640 42.657 40.800 0.362 0.000 1.481 316 D HN 0.636 nan 8.370 nan 0.000 0.509 317 W N 2.800 124.209 121.300 0.182 0.000 2.736 317 W HA 0.452 5.113 4.660 0.001 0.000 0.335 317 W C -1.348 175.262 176.519 0.151 0.000 1.059 317 W CA -0.629 56.806 57.345 0.149 0.000 1.226 317 W CB 1.622 31.157 29.460 0.125 0.000 1.416 317 W HN 0.579 nan 8.180 nan 0.000 0.505 318 Q N 4.505 123.884 119.800 -0.701 0.000 2.379 318 Q HA 0.494 4.834 4.340 0.001 0.000 0.278 318 Q C -1.907 173.487 176.000 -1.009 0.000 1.068 318 Q CA -1.124 54.224 55.803 -0.759 0.000 0.816 318 Q CB 2.535 31.133 28.738 -0.233 0.000 1.387 318 Q HN 0.506 nan 8.270 nan 0.000 0.413 319 K N 2.243 122.181 120.400 -0.770 0.000 2.376 319 K HA 0.333 4.653 4.320 0.001 0.000 0.257 319 K C -1.327 175.250 176.600 -0.039 0.000 0.939 319 K CA -0.408 55.648 56.287 -0.385 0.000 0.809 319 K CB 1.886 34.191 32.500 -0.324 0.000 1.121 319 K HN 0.733 nan 8.250 nan 0.000 0.425 320 Q N 2.407 122.197 119.800 -0.016 0.000 2.339 320 Q HA 0.183 4.524 4.340 0.001 0.000 0.268 320 Q C -0.944 175.096 176.000 0.067 0.000 1.027 320 Q CA -0.682 55.144 55.803 0.039 0.000 0.759 320 Q CB 2.113 30.860 28.738 0.015 0.000 1.244 320 Q HN 0.696 nan 8.270 nan 0.000 0.464 321 T N -0.347 114.263 114.554 0.093 0.000 2.859 321 T HA 0.687 5.037 4.350 0.001 0.000 0.281 321 T C 0.135 174.860 174.700 0.042 0.000 1.005 321 T CA -0.473 61.671 62.100 0.074 0.000 1.025 321 T CB 1.648 70.569 68.868 0.089 0.000 0.977 321 T HN 0.524 nan 8.240 nan 0.000 0.458 322 T N -0.071 114.510 114.554 0.045 0.000 2.930 322 T HA 0.643 4.994 4.350 0.001 0.000 0.290 322 T C -0.267 174.438 174.700 0.009 0.000 1.052 322 T CA -0.765 61.353 62.100 0.031 0.000 1.017 322 T CB 1.585 70.496 68.868 0.071 0.000 1.137 322 T HN 0.625 nan 8.240 nan 0.000 0.511 323 T N 3.644 118.197 114.554 -0.001 0.000 2.829 323 T HA 0.528 4.879 4.350 0.001 0.000 0.282 323 T C -2.597 172.098 174.700 -0.008 0.000 0.990 323 T CA -1.211 60.883 62.100 -0.010 0.000 1.028 323 T CB 1.097 69.960 68.868 -0.008 0.000 0.951 323 T HN 0.547 nan 8.240 nan 0.000 0.460 324 P HA 0.040 nan 4.420 nan 0.000 0.259 324 P C 0.984 178.287 177.300 0.006 0.000 1.163 324 P CA 1.039 64.133 63.100 -0.009 0.000 0.760 324 P CB 0.142 31.831 31.700 -0.018 0.000 0.762 325 G N 2.604 111.418 108.800 0.023 0.000 2.399 325 G HA2 -0.226 3.735 3.960 0.001 0.000 0.216 325 G HA3 -0.226 3.735 3.960 0.001 0.000 0.216 325 G C 0.246 175.121 174.900 -0.042 0.000 1.096 325 G CA 0.053 45.158 45.100 0.008 0.000 0.650 325 G HN 0.610 nan 8.290 nan 0.000 0.512 326 T N 2.019 116.544 114.554 -0.048 0.000 2.822 326 T HA 0.427 4.778 4.350 0.001 0.000 0.288 326 T C 1.505 176.147 174.700 -0.097 0.000 0.991 326 T CA 1.819 63.863 62.100 -0.093 0.000 1.176 326 T CB 0.320 69.161 68.868 -0.045 0.000 0.951 326 T HN 2.138 nan 8.240 nan 0.000 0.526 327 G N 3.454 112.104 108.800 -0.250 0.000 2.246 327 G HA2 -0.326 3.635 3.960 0.001 0.000 0.273 327 G HA3 -0.326 3.635 3.960 0.001 0.000 0.273 327 G C 0.275 175.133 174.900 -0.071 0.000 1.055 327 G CA 0.184 45.158 45.100 -0.210 0.000 0.851 327 G HN 1.020 nan 8.290 nan 0.000 0.500 328 Y N -4.687 115.652 120.300 0.064 0.000 3.825 328 Y HA -0.222 4.328 4.550 0.001 0.000 0.221 328 Y C 0.960 176.916 175.900 0.094 0.000 1.195 328 Y CA 0.584 58.726 58.100 0.070 0.000 1.699 328 Y CB -1.959 36.544 38.460 0.071 0.000 1.531 328 Y HN 0.484 nan 8.280 nan 0.000 0.640 329 V N 0.357 120.380 119.914 0.182 0.000 2.555 329 V HA 0.141 4.262 4.120 0.001 0.000 0.302 329 V C 1.374 177.577 176.094 0.182 0.000 1.038 329 V CA -0.924 61.505 62.300 0.214 0.000 0.887 329 V CB 1.895 33.880 31.823 0.270 0.000 0.991 329 V HN 0.268 nan 8.190 nan 0.000 0.434 330 E N 2.406 122.717 120.200 0.185 0.000 2.026 330 E HA -0.199 4.151 4.350 0.001 0.000 0.206 330 E C 0.205 176.856 176.600 0.085 0.000 1.028 330 E CA 2.294 58.770 56.400 0.127 0.000 0.845 330 E CB 0.231 30.009 29.700 0.130 0.000 0.772 330 E HN 0.992 nan 8.360 nan 0.000 0.462 331 D N -2.035 118.411 120.400 0.076 0.000 2.506 331 D HA 0.478 5.118 4.640 0.001 0.000 0.254 331 D C -0.088 176.141 176.300 -0.118 0.000 1.089 331 D CA -0.691 53.271 54.000 -0.065 0.000 1.050 331 D CB 0.817 41.511 40.800 -0.176 0.000 1.221 331 D HN 0.126 nan 8.370 nan 0.000 0.589 332 G N -1.015 107.652 108.800 -0.222 0.000 2.356 332 G HA2 0.485 4.445 3.960 0.001 0.000 0.298 332 G HA3 0.485 4.445 3.960 0.001 0.000 0.298 332 G C -1.356 173.329 174.900 -0.358 0.000 1.145 332 G CA -0.432 44.576 45.100 -0.154 0.000 0.850 332 G HN 0.299 nan 8.290 nan 0.000 0.487 333 Y N -0.007 120.254 120.300 -0.064 0.000 2.567 333 Y HA 0.462 5.012 4.550 0.001 0.000 0.333 333 Y C -0.255 175.620 175.900 -0.042 0.000 1.106 333 Y CA -0.688 57.344 58.100 -0.114 0.000 1.157 333 Y CB 2.705 41.043 38.460 -0.204 0.000 1.277 333 Y HN 0.448 nan 8.280 nan 0.000 0.490 334 D N 1.295 121.771 120.400 0.127 0.000 2.469 334 D HA 0.205 4.846 4.640 0.001 0.000 0.251 334 D C -1.397 174.961 176.300 0.098 0.000 1.173 334 D CA -0.436 53.612 54.000 0.080 0.000 0.882 334 D CB 0.932 41.751 40.800 0.031 0.000 1.129 334 D HN 0.436 nan 8.370 nan 0.000 0.549 335 Q N 3.089 122.939 119.800 0.083 0.000 2.333 335 Q HA 0.511 4.852 4.340 0.001 0.000 0.265 335 Q C -0.804 175.178 176.000 -0.029 0.000 0.989 335 Q CA -0.766 55.068 55.803 0.052 0.000 0.842 335 Q CB 1.003 29.788 28.738 0.078 0.000 1.262 335 Q HN 0.321 nan 8.270 nan 0.000 0.451 336 R N 2.788 123.262 120.500 -0.043 0.000 2.562 336 R HA 0.488 4.829 4.340 0.001 0.000 0.298 336 R C -0.839 175.396 176.300 -0.109 0.000 0.961 336 R CA -0.693 55.344 56.100 -0.105 0.000 0.881 336 R CB 1.573 31.896 30.300 0.039 0.000 1.159 336 R HN 0.538 nan 8.270 nan 0.000 0.450 337 N N 1.263 119.847 118.700 -0.192 0.000 2.310 337 N HA 0.281 5.021 4.740 0.001 0.000 0.292 337 N C -1.629 173.892 175.510 0.018 0.000 1.049 337 N CA -0.317 52.688 53.050 -0.076 0.000 0.849 337 N CB 2.372 40.829 38.487 -0.051 0.000 1.532 337 N HN 0.432 nan 8.380 nan 0.000 0.479 338 T N 1.048 115.692 114.554 0.151 0.000 2.792 338 T HA 0.544 4.895 4.350 0.001 0.000 0.280 338 T C 0.084 174.912 174.700 0.213 0.000 0.990 338 T CA -0.670 61.588 62.100 0.263 0.000 0.960 338 T CB 1.574 70.625 68.868 0.305 0.000 0.939 338 T HN 0.511 nan 8.240 nan 0.000 0.439 339 G N 3.126 112.077 108.800 0.251 0.000 2.660 339 G HA2 0.566 4.526 3.960 0.001 0.000 0.305 339 G HA3 0.566 4.526 3.960 0.001 0.000 0.305 339 G C -0.570 174.501 174.900 0.285 0.000 1.329 339 G CA -0.404 44.854 45.100 0.263 0.000 1.000 339 G HN 0.695 nan 8.290 nan 0.000 0.514 340 I N 3.398 124.096 120.570 0.213 0.000 2.396 340 I HA 0.597 4.768 4.170 0.001 0.000 0.292 340 I C -0.705 175.529 176.117 0.196 0.000 0.999 340 I CA -0.657 60.723 61.300 0.135 0.000 1.310 340 I CB 1.303 39.348 38.000 0.075 0.000 1.404 340 I HN 0.608 nan 8.210 nan 0.000 0.496 341 Y N 6.116 126.459 120.300 0.071 0.000 2.609 341 Y HA 0.715 5.265 4.550 0.001 0.000 0.336 341 Y C -1.965 173.958 175.900 0.038 0.000 1.129 341 Y CA -1.434 56.704 58.100 0.063 0.000 1.040 341 Y CB 1.336 39.835 38.460 0.065 0.000 1.310 341 Y HN 0.459 nan 8.280 nan 0.000 0.460 342 L N 2.088 123.464 121.223 0.256 0.000 2.431 342 L HA 0.796 5.137 4.340 0.001 0.000 0.266 342 L C -1.322 175.676 176.870 0.213 0.000 0.978 342 L CA -0.361 54.562 54.840 0.137 0.000 0.822 342 L CB 2.555 44.645 42.059 0.053 0.000 1.310 342 L HN 1.026 nan 8.230 nan 0.000 0.409 343 T N 2.811 117.471 114.554 0.176 0.000 2.921 343 T HA 0.775 5.126 4.350 0.001 0.000 0.297 343 T C -0.562 174.200 174.700 0.103 0.000 1.013 343 T CA -0.114 62.080 62.100 0.157 0.000 0.990 343 T CB 1.277 70.255 68.868 0.183 0.000 1.023 343 T HN 0.837 nan 8.240 nan 0.000 0.447 344 G N 3.384 112.243 108.800 0.097 0.000 2.498 344 G HA2 0.766 4.726 3.960 0.001 0.000 0.312 344 G HA3 0.766 4.726 3.960 0.001 0.000 0.312 344 G C -1.691 173.269 174.900 0.100 0.000 1.230 344 G CA -0.601 44.548 45.100 0.081 0.000 0.968 344 G HN 0.787 nan 8.290 nan 0.000 0.481 345 L N 0.752 122.033 121.223 0.097 0.000 2.588 345 L HA 0.685 5.025 4.340 0.001 0.000 0.263 345 L C -2.046 174.896 176.870 0.121 0.000 0.935 345 L CA -0.591 54.317 54.840 0.114 0.000 0.891 345 L CB 2.053 44.168 42.059 0.094 0.000 1.318 345 L HN 0.699 nan 8.230 nan 0.000 0.409 346 Q N 3.121 123.021 119.800 0.167 0.000 2.296 346 Q HA 0.387 4.727 4.340 0.001 0.000 0.254 346 Q C -1.772 174.365 176.000 0.229 0.000 0.936 346 Q CA -0.179 55.736 55.803 0.188 0.000 0.834 346 Q CB 2.033 30.881 28.738 0.184 0.000 1.340 346 Q HN 0.677 nan 8.270 nan 0.000 0.428 347 Q N 1.990 121.906 119.800 0.193 0.000 2.390 347 Q HA 0.518 4.858 4.340 0.001 0.000 0.249 347 Q C -1.089 175.029 176.000 0.197 0.000 0.996 347 Q CA -0.535 55.366 55.803 0.162 0.000 0.899 347 Q CB 2.042 30.835 28.738 0.092 0.000 1.216 347 Q HN 0.465 nan 8.270 nan 0.000 0.465 348 V N 3.603 123.666 119.914 0.248 0.000 2.347 348 V HA 0.675 4.796 4.120 0.001 0.000 0.280 348 V C 0.704 176.965 176.094 0.279 0.000 1.021 348 V CA 0.821 63.271 62.300 0.249 0.000 0.847 348 V CB 0.394 32.368 31.823 0.253 0.000 0.990 348 V HN 1.002 nan 8.190 nan 0.000 0.444 349 G N 6.229 115.142 108.800 0.188 0.000 2.651 349 G HA2 -0.327 3.634 3.960 0.001 0.000 0.315 349 G HA3 -0.327 3.634 3.960 0.001 0.000 0.315 349 G C 0.527 175.527 174.900 0.167 0.000 1.258 349 G CA 0.742 45.956 45.100 0.190 0.000 1.002 349 G HN 0.735 nan 8.290 nan 0.000 0.551 350 D N 0.735 121.262 120.400 0.212 0.000 2.328 350 D HA 0.291 4.931 4.640 0.001 0.000 0.221 350 D C 0.660 176.996 176.300 0.060 0.000 1.072 350 D CA 0.235 54.296 54.000 0.102 0.000 0.850 350 D CB 0.026 40.894 40.800 0.112 0.000 0.922 350 D HN 0.154 nan 8.370 nan 0.000 0.516 351 F N 0.358 120.383 119.950 0.125 0.000 2.380 351 F HA 0.366 4.893 4.527 0.001 0.000 0.319 351 F C 0.898 176.578 175.800 -0.200 0.000 1.113 351 F CA -0.186 57.775 58.000 -0.065 0.000 1.056 351 F CB 1.360 40.259 39.000 -0.168 0.000 1.289 351 F HN -0.438 nan 8.300 nan 0.000 0.515 352 T N 1.786 116.179 114.554 -0.269 0.000 3.237 352 T HA 0.425 4.775 4.350 0.001 0.000 0.319 352 T C -1.420 173.038 174.700 -0.403 0.000 1.037 352 T CA -0.582 61.385 62.100 -0.221 0.000 1.048 352 T CB 0.352 69.171 68.868 -0.082 0.000 1.081 352 T HN 0.198 nan 8.240 nan 0.000 0.455 353 F N 2.755 122.781 119.950 0.125 0.000 2.427 353 F HA 0.496 5.024 4.527 0.001 0.000 0.348 353 F C 0.622 176.473 175.800 0.086 0.000 1.125 353 F CA -0.966 57.095 58.000 0.102 0.000 0.989 353 F CB 1.401 40.450 39.000 0.081 0.000 1.165 353 F HN 0.548 nan 8.300 nan 0.000 0.442 354 E N 2.348 122.684 120.200 0.226 0.000 2.227 354 E HA 0.881 5.232 4.350 0.001 0.000 0.268 354 E C -0.740 175.967 176.600 0.178 0.000 0.907 354 E CA -1.087 55.414 56.400 0.167 0.000 0.786 354 E CB 2.366 32.133 29.700 0.110 0.000 1.191 354 E HN 0.724 nan 8.360 nan 0.000 0.411 355 G N 0.471 109.365 108.800 0.156 0.000 2.720 355 G HA2 0.661 4.621 3.960 0.001 0.000 0.295 355 G HA3 0.661 4.621 3.960 0.001 0.000 0.295 355 G C -1.717 173.275 174.900 0.153 0.000 1.437 355 G CA -0.432 44.770 45.100 0.169 0.000 0.886 355 G HN 0.754 nan 8.290 nan 0.000 0.509 356 A N -0.477 122.453 122.820 0.183 0.000 2.547 356 A HA 1.018 5.339 4.320 0.001 0.000 0.297 356 A C -0.435 177.289 177.584 0.234 0.000 1.056 356 A CA 0.095 52.236 52.037 0.175 0.000 0.688 356 A CB 1.523 20.593 19.000 0.117 0.000 1.282 356 A HN 2.388 nan 8.150 nan 0.000 0.400 357 A N 0.998 123.950 122.820 0.220 0.000 2.413 357 A HA 1.015 5.336 4.320 0.001 0.000 0.307 357 A C -0.423 177.308 177.584 0.244 0.000 1.087 357 A CA -0.670 51.512 52.037 0.241 0.000 0.750 357 A CB 1.689 20.788 19.000 0.164 0.000 1.296 357 A HN 1.577 nan 8.150 nan 0.000 0.423 358 R N -0.108 120.539 120.500 0.244 0.000 2.663 358 R HA 0.687 5.027 4.340 0.001 0.000 0.267 358 R C -1.723 174.704 176.300 0.212 0.000 1.038 358 R CA 0.165 56.416 56.100 0.251 0.000 0.886 358 R CB 1.808 32.254 30.300 0.244 0.000 1.249 358 R HN 0.935 nan 8.270 nan 0.000 0.463 359 S N 1.752 117.569 115.700 0.195 0.000 2.736 359 S HA 0.422 4.893 4.470 0.001 0.000 0.285 359 S C -1.884 172.812 174.600 0.160 0.000 1.163 359 S CA -0.743 57.546 58.200 0.149 0.000 1.025 359 S CB 0.719 63.982 63.200 0.104 0.000 1.030 359 S HN 0.615 nan 8.310 nan 0.000 0.486 360 D N 2.718 123.208 120.400 0.150 0.000 2.280 360 D HA 0.334 4.975 4.640 0.001 0.000 0.236 360 D C -0.907 175.448 176.300 0.093 0.000 1.082 360 D CA -0.329 53.763 54.000 0.153 0.000 0.834 360 D CB 1.097 42.028 40.800 0.219 0.000 1.100 360 D HN 0.310 nan 8.370 nan 0.000 0.486 361 D N 1.784 122.228 120.400 0.074 0.000 2.412 361 D HA 0.102 4.742 4.640 0.001 0.000 0.224 361 D C -0.877 175.391 176.300 -0.053 0.000 1.093 361 D CA -0.482 53.531 54.000 0.022 0.000 0.850 361 D CB 0.325 41.156 40.800 0.051 0.000 1.046 361 D HN 0.280 nan 8.370 nan 0.000 0.507 362 N N 1.679 120.242 118.700 -0.228 0.000 2.456 362 N HA 0.047 4.787 4.740 0.001 0.000 0.288 362 N C 1.247 176.577 175.510 -0.301 0.000 1.059 362 N CA -0.314 52.487 53.050 -0.415 0.000 0.946 362 N CB 0.987 38.787 38.487 -1.146 0.000 1.150 362 N HN 0.348 nan 8.380 nan 0.000 0.479 363 S N 1.929 117.524 115.700 -0.175 0.000 2.469 363 S HA -0.150 4.320 4.470 0.001 0.000 0.238 363 S C 1.438 176.001 174.600 -0.061 0.000 0.998 363 S CA 0.744 58.903 58.200 -0.069 0.000 0.957 363 S CB 0.115 63.311 63.200 -0.006 0.000 0.764 363 S HN 0.627 nan 8.310 nan 0.000 0.514 364 Q N 1.358 121.057 119.800 -0.168 0.000 2.159 364 Q HA 0.150 4.491 4.340 0.001 0.000 0.194 364 Q C 0.770 176.775 176.000 0.008 0.000 0.968 364 Q CA 1.037 56.814 55.803 -0.044 0.000 0.837 364 Q CB 0.000 28.740 28.738 0.004 0.000 0.920 364 Q HN 0.786 nan 8.270 nan 0.000 0.485 365 F N -0.861 119.118 119.950 0.047 0.000 2.835 365 F HA 0.674 5.202 4.527 0.001 0.000 0.342 365 F C 0.711 176.533 175.800 0.036 0.000 1.202 365 F CA -0.369 57.650 58.000 0.032 0.000 1.240 365 F CB -0.084 38.924 39.000 0.013 0.000 1.005 365 F HN 0.191 nan 8.300 nan 0.000 0.507 366 G N 2.278 111.079 108.800 0.003 0.000 2.578 366 G HA2 -0.314 3.646 3.960 0.001 0.000 0.275 366 G HA3 -0.314 3.646 3.960 0.001 0.000 0.275 366 G C -0.061 174.876 174.900 0.062 0.000 1.271 366 G CA 0.191 45.315 45.100 0.039 0.000 0.941 366 G HN 0.991 nan 8.290 nan 0.000 0.564 367 R N -0.395 120.163 120.500 0.098 0.000 2.532 367 R HA 0.778 5.119 4.340 0.001 0.000 0.272 367 R C -0.181 176.221 176.300 0.170 0.000 1.032 367 R CA -0.553 55.611 56.100 0.107 0.000 1.089 367 R CB 1.292 31.632 30.300 0.067 0.000 1.098 367 R HN 0.909 nan 8.270 nan 0.000 0.526 368 H N 0.278 119.350 119.070 0.002 0.000 3.099 368 H HA 0.311 4.868 4.556 0.001 0.000 0.342 368 H C -1.331 173.956 175.328 -0.068 0.000 1.054 368 H CA -0.399 55.604 56.048 -0.075 0.000 1.328 368 H CB 1.962 31.576 29.762 -0.247 0.000 1.876 368 H HN 0.978 nan 8.280 nan 0.000 0.495 369 G N 1.986 110.624 108.800 -0.269 0.000 2.437 369 G HA2 0.569 4.530 3.960 0.001 0.000 0.319 369 G HA3 0.569 4.530 3.960 0.001 0.000 0.319 369 G C -0.822 174.135 174.900 0.095 0.000 1.158 369 G CA -0.348 44.741 45.100 -0.018 0.000 0.899 369 G HN 0.637 nan 8.290 nan 0.000 0.502 370 T N -1.249 113.464 114.554 0.264 0.000 2.889 370 T HA 0.730 5.081 4.350 0.001 0.000 0.315 370 T C -1.285 173.644 174.700 0.382 0.000 1.291 370 T CA -0.908 61.361 62.100 0.282 0.000 1.028 370 T CB 1.798 70.841 68.868 0.292 0.000 1.235 370 T HN 1.310 nan 8.240 nan 0.000 0.491 371 W N 1.425 122.795 121.300 0.116 0.000 3.645 371 W HA 0.579 5.240 4.660 0.001 0.000 0.285 371 W C -1.982 174.604 176.519 0.111 0.000 1.266 371 W CA -1.015 56.394 57.345 0.107 0.000 1.212 371 W CB 0.838 30.360 29.460 0.104 0.000 1.306 371 W HN 1.034 nan 8.180 nan 0.000 0.552 372 Q N 1.963 121.922 119.800 0.265 0.000 2.451 372 Q HA 0.798 5.139 4.340 0.001 0.000 0.281 372 Q C -1.235 174.961 176.000 0.326 0.000 1.099 372 Q CA -0.706 55.201 55.803 0.173 0.000 0.806 372 Q CB 2.764 31.519 28.738 0.027 0.000 1.419 372 Q HN 0.447 nan 8.270 nan 0.000 0.427 373 T N -0.630 114.117 114.554 0.321 0.000 2.971 373 T HA 0.648 4.998 4.350 0.001 0.000 0.304 373 T C -0.792 174.054 174.700 0.243 0.000 1.038 373 T CA -0.674 61.613 62.100 0.311 0.000 1.007 373 T CB 1.464 70.564 68.868 0.386 0.000 1.055 373 T HN 0.533 nan 8.240 nan 0.000 0.451 374 S N 1.199 117.020 115.700 0.201 0.000 2.542 374 S HA 0.901 5.372 4.470 0.001 0.000 0.293 374 S C -0.604 174.076 174.600 0.134 0.000 1.089 374 S CA -1.048 57.233 58.200 0.135 0.000 0.961 374 S CB 1.854 65.097 63.200 0.072 0.000 1.062 374 S HN 1.217 nan 8.310 nan 0.000 0.483 375 A N 1.023 123.880 122.820 0.062 0.000 2.355 375 A HA 0.852 5.173 4.320 0.001 0.000 0.317 375 A C 0.048 177.577 177.584 -0.092 0.000 1.094 375 A CA -0.814 51.214 52.037 -0.016 0.000 0.764 375 A CB 1.246 20.320 19.000 0.123 0.000 1.230 375 A HN 1.076 nan 8.150 nan 0.000 0.448 376 G N 0.925 109.639 108.800 -0.143 0.000 3.712 376 G HA2 0.434 4.395 3.960 0.001 0.000 0.327 376 G HA3 0.434 4.395 3.960 0.001 0.000 0.327 376 G C -1.054 173.835 174.900 -0.018 0.000 1.566 376 G CA -0.256 44.790 45.100 -0.089 0.000 0.953 376 G HN 0.700 nan 8.290 nan 0.000 0.488 377 W N 2.428 123.627 121.300 -0.168 0.000 2.338 377 W HA 0.559 5.220 4.660 0.001 0.000 0.307 377 W C -0.122 176.322 176.519 -0.125 0.000 1.167 377 W CA -1.450 55.727 57.345 -0.281 0.000 1.208 377 W CB 1.304 30.548 29.460 -0.359 0.000 1.228 377 W HN 0.372 nan 8.180 nan 0.000 0.499 378 E N 6.700 126.648 120.200 -0.421 0.000 2.079 378 E HA 0.064 4.415 4.350 0.001 0.000 0.252 378 E C 0.846 176.975 176.600 -0.785 0.000 0.992 378 E CA -0.383 55.707 56.400 -0.517 0.000 0.829 378 E CB -0.081 29.433 29.700 -0.311 0.000 1.158 378 E HN 0.543 nan 8.360 nan 0.000 0.435 379 F N 3.491 122.883 119.950 -0.930 0.000 2.102 379 F HA 0.073 4.601 4.527 0.001 0.000 0.298 379 F C 0.530 176.093 175.800 -0.396 0.000 1.105 379 F CA 0.424 57.852 58.000 -0.954 0.000 1.239 379 F CB -0.145 38.297 39.000 -0.929 0.000 0.991 379 F HN 0.102 nan 8.300 nan 0.000 0.474 380 I N 0.555 120.734 120.570 -0.651 0.000 2.603 380 I HA 0.163 4.333 4.170 0.001 0.000 0.300 380 I C -0.111 175.856 176.117 -0.250 0.000 1.017 380 I CA -1.058 60.071 61.300 -0.285 0.000 1.098 380 I CB 1.859 39.765 38.000 -0.156 0.000 1.279 380 I HN -0.015 nan 8.210 nan 0.000 0.437 381 E N 3.904 124.034 120.200 -0.116 0.000 2.463 381 E HA 0.146 4.497 4.350 0.001 0.000 0.248 381 E C 0.847 177.389 176.600 -0.095 0.000 1.106 381 E CA 0.974 57.311 56.400 -0.105 0.000 0.946 381 E CB -0.007 29.659 29.700 -0.057 0.000 0.971 381 E HN 0.882 nan 8.360 nan 0.000 0.478 382 G N 3.863 112.531 108.800 -0.219 0.000 2.159 382 G HA2 -0.267 3.694 3.960 0.001 0.000 0.227 382 G HA3 -0.267 3.694 3.960 0.001 0.000 0.227 382 G C -0.779 173.697 174.900 -0.706 0.000 0.986 382 G CA -0.009 44.859 45.100 -0.386 0.000 0.651 382 G HN 0.514 nan 8.290 nan 0.000 0.523 383 Y N -0.190 119.834 120.300 -0.460 0.000 2.361 383 Y HA 0.686 5.237 4.550 0.001 0.000 0.328 383 Y C 0.273 175.605 175.900 -0.947 0.000 1.044 383 Y CA -0.862 56.875 58.100 -0.606 0.000 1.085 383 Y CB 1.739 39.874 38.460 -0.543 0.000 1.194 383 Y HN 0.545 nan 8.280 nan 0.000 0.438 384 R N 1.514 121.767 120.500 -0.411 0.000 2.799 384 R HA 0.776 5.117 4.340 0.001 0.000 0.270 384 R C -2.240 174.113 176.300 0.088 0.000 1.010 384 R CA -0.947 55.003 56.100 -0.249 0.000 0.916 384 R CB 1.973 32.121 30.300 -0.252 0.000 1.228 384 R HN 0.466 nan 8.270 nan 0.000 0.469 385 F N 2.230 122.146 119.950 -0.057 0.000 2.449 385 F HA 0.613 5.141 4.527 0.001 0.000 0.342 385 F C -1.495 174.201 175.800 -0.174 0.000 1.127 385 F CA -1.238 56.565 58.000 -0.327 0.000 0.975 385 F CB 1.202 39.905 39.000 -0.494 0.000 1.146 385 F HN 0.456 nan 8.300 nan 0.000 0.444 386 I N 6.076 126.149 120.570 -0.828 0.000 2.354 386 I HA 0.642 4.813 4.170 0.001 0.000 0.292 386 I C -0.178 175.397 176.117 -0.903 0.000 0.989 386 I CA -0.325 60.573 61.300 -0.670 0.000 1.188 386 I CB 1.541 39.362 38.000 -0.299 0.000 1.342 386 I HN 0.779 nan 8.210 nan 0.000 0.457 387 A N 4.673 127.088 122.820 -0.675 0.000 2.337 387 A HA 0.972 5.292 4.320 0.001 0.000 0.331 387 A C -0.590 176.963 177.584 -0.051 0.000 1.137 387 A CA -0.389 51.467 52.037 -0.302 0.000 0.807 387 A CB 1.208 20.135 19.000 -0.123 0.000 1.250 387 A HN 0.705 nan 8.150 nan 0.000 0.468 388 S N -0.092 115.654 115.700 0.075 0.000 2.558 388 S HA 0.574 5.045 4.470 0.001 0.000 0.277 388 S C -1.399 173.348 174.600 0.246 0.000 1.143 388 S CA -0.592 57.693 58.200 0.142 0.000 0.865 388 S CB 0.634 63.881 63.200 0.079 0.000 1.102 388 S HN 1.118 nan 8.310 nan 0.000 0.454 389 Y N 0.698 121.057 120.300 0.099 0.000 2.462 389 Y HA 0.767 5.317 4.550 0.001 0.000 0.346 389 Y C -0.044 175.818 175.900 -0.064 0.000 0.976 389 Y CA 0.167 58.306 58.100 0.065 0.000 1.044 389 Y CB 2.112 40.620 38.460 0.079 0.000 1.230 389 Y HN 1.281 nan 8.280 nan 0.000 0.455 390 G N 1.690 110.103 108.800 -0.645 0.000 2.733 390 G HA2 0.485 4.446 3.960 0.001 0.000 0.297 390 G HA3 0.485 4.446 3.960 0.001 0.000 0.297 390 G C -1.554 172.910 174.900 -0.726 0.000 1.422 390 G CA -0.776 43.982 45.100 -0.570 0.000 0.942 390 G HN 0.731 nan 8.290 nan 0.000 0.510 391 T N -1.228 112.943 114.554 -0.639 0.000 2.797 391 T HA 0.789 5.140 4.350 0.001 0.000 0.279 391 T C 0.023 174.616 174.700 -0.178 0.000 0.991 391 T CA -0.427 61.425 62.100 -0.414 0.000 0.979 391 T CB 1.484 70.103 68.868 -0.416 0.000 0.943 391 T HN 1.258 nan 8.240 nan 0.000 0.444 392 S N 2.594 118.237 115.700 -0.094 0.000 2.549 392 S HA 0.740 5.211 4.470 0.001 0.000 0.280 392 S C -0.993 173.630 174.600 0.038 0.000 1.109 392 S CA -1.067 57.124 58.200 -0.015 0.000 0.905 392 S CB 1.058 64.195 63.200 -0.106 0.000 1.081 392 S HN 1.043 nan 8.310 nan 0.000 0.477 393 Y N 0.047 120.302 120.300 -0.075 0.000 2.650 393 Y HA 0.909 5.459 4.550 0.001 0.000 0.331 393 Y C -0.763 175.065 175.900 -0.121 0.000 1.082 393 Y CA -1.192 56.813 58.100 -0.158 0.000 1.171 393 Y CB 1.192 39.442 38.460 -0.349 0.000 1.326 393 Y HN 0.770 nan 8.280 nan 0.000 0.513 394 K N 1.500 121.813 120.400 -0.146 0.000 2.553 394 K HA 0.714 5.034 4.320 0.001 0.000 0.250 394 K C -1.660 174.903 176.600 -0.062 0.000 0.953 394 K CA -0.422 55.757 56.287 -0.181 0.000 0.800 394 K CB 1.685 34.187 32.500 0.002 0.000 1.243 394 K HN 1.053 nan 8.250 nan 0.000 0.435 395 A N 5.316 128.121 122.820 -0.025 0.000 2.388 395 A HA 0.492 4.812 4.320 0.001 0.000 0.257 395 A C -2.127 175.424 177.584 -0.055 0.000 1.095 395 A CA -1.213 50.831 52.037 0.011 0.000 0.791 395 A CB -0.409 18.810 19.000 0.366 0.000 1.029 395 A HN 0.674 nan 8.150 nan 0.000 0.489 396 P HA 0.049 nan 4.420 nan 0.000 0.266 396 P C -0.757 176.497 177.300 -0.077 0.000 1.195 396 P CA 0.037 63.065 63.100 -0.120 0.000 0.768 396 P CB 0.318 31.935 31.700 -0.138 0.000 0.838 397 N N 2.319 120.936 118.700 -0.138 0.000 2.489 397 N HA 0.110 4.851 4.740 0.001 0.000 0.284 397 N C 1.280 176.703 175.510 -0.145 0.000 1.158 397 N CA -0.929 52.053 53.050 -0.113 0.000 0.965 397 N CB 0.338 38.756 38.487 -0.115 0.000 1.195 397 N HN 0.135 nan 8.380 nan 0.000 0.506 398 L N 0.378 121.557 121.223 -0.074 0.000 2.030 398 L HA -0.241 4.100 4.340 0.001 0.000 0.222 398 L C 1.800 178.630 176.870 -0.068 0.000 1.082 398 L CA 2.756 57.576 54.840 -0.033 0.000 0.785 398 L CB -1.544 40.551 42.059 0.062 0.000 0.895 398 L HN 0.929 nan 8.230 nan 0.000 0.439 399 G N -0.198 108.582 108.800 -0.034 0.000 2.480 399 G HA2 -0.316 3.645 3.960 0.001 0.000 0.216 399 G HA3 -0.316 3.645 3.960 0.001 0.000 0.216 399 G C 1.220 176.093 174.900 -0.044 0.000 1.200 399 G CA 0.750 45.861 45.100 0.019 0.000 0.782 399 G HN 0.756 nan 8.290 nan 0.000 0.554 400 Q N 0.032 119.696 119.800 -0.227 0.000 2.466 400 Q HA 0.294 4.635 4.340 0.001 0.000 0.210 400 Q C 1.866 177.750 176.000 -0.193 0.000 0.961 400 Q CA 0.297 55.906 55.803 -0.323 0.000 0.953 400 Q CB -0.073 28.186 28.738 -0.799 0.000 1.011 400 Q HN 0.497 nan 8.270 nan 0.000 0.516 401 L N -1.473 119.559 121.223 -0.318 0.000 2.433 401 L HA 0.133 4.474 4.340 0.001 0.000 0.200 401 L C 1.054 177.603 176.870 -0.535 0.000 1.059 401 L CA 0.420 54.921 54.840 -0.564 0.000 0.835 401 L CB 0.310 41.726 42.059 -1.072 0.000 1.076 401 L HN 0.147 nan 8.230 nan 0.000 0.481 402 Y N -0.402 119.813 120.300 -0.143 0.000 2.445 402 Y HA 0.350 4.900 4.550 0.001 0.000 0.247 402 Y C 1.565 177.465 175.900 -0.001 0.000 1.129 402 Y CA -0.484 57.501 58.100 -0.192 0.000 1.251 402 Y CB 0.204 38.248 38.460 -0.693 0.000 1.176 402 Y HN 0.033 nan 8.280 nan 0.000 0.522 403 G N -0.142 108.750 108.800 0.153 0.000 2.653 403 G HA2 -0.040 3.921 3.960 0.001 0.000 0.265 403 G HA3 -0.040 3.921 3.960 0.001 0.000 0.265 403 G C 0.357 175.351 174.900 0.157 0.000 1.237 403 G CA -0.271 44.943 45.100 0.190 0.000 0.946 403 G HN 0.267 nan 8.290 nan 0.000 0.522 404 F N -0.627 119.258 119.950 -0.108 0.000 2.146 404 F HA -0.039 4.488 4.527 0.001 0.000 0.298 404 F C 2.358 178.057 175.800 -0.168 0.000 1.096 404 F CA 1.474 59.339 58.000 -0.226 0.000 1.275 404 F CB -0.160 38.559 39.000 -0.469 0.000 1.008 404 F HN 0.460 nan 8.300 nan 0.000 0.480 405 Y N 0.077 120.533 120.300 0.260 0.000 2.457 405 Y HA 0.149 4.700 4.550 0.001 0.000 0.292 405 Y C 2.004 178.069 175.900 0.274 0.000 1.125 405 Y CA -0.193 58.038 58.100 0.219 0.000 1.254 405 Y CB -1.240 37.321 38.460 0.169 0.000 1.012 405 Y HN 0.000 nan 8.280 nan 0.000 0.555 406 G N 1.180 110.190 108.800 0.351 0.000 2.771 406 G HA2 -0.003 3.957 3.960 0.001 0.000 0.242 406 G HA3 -0.003 3.957 3.960 0.001 0.000 0.242 406 G C -0.479 174.510 174.900 0.148 0.000 1.233 406 G CA -0.223 45.016 45.100 0.232 0.000 0.858 406 G HN 0.428 nan 8.290 nan 0.000 0.591 407 N N 0.363 119.105 118.700 0.070 0.000 2.616 407 N HA 0.202 4.943 4.740 0.001 0.000 0.281 407 N C -2.268 173.222 175.510 -0.032 0.000 1.145 407 N CA -1.521 51.559 53.050 0.050 0.000 0.919 407 N CB 2.744 41.298 38.487 0.111 0.000 1.509 407 N HN 0.171 nan 8.380 nan 0.000 0.537 408 P HA 0.032 nan 4.420 nan 0.000 0.237 408 P C -0.127 177.183 177.300 0.017 0.000 1.178 408 P CA 0.635 63.721 63.100 -0.024 0.000 0.766 408 P CB 0.221 31.980 31.700 0.099 0.000 0.876 409 N N -0.249 118.458 118.700 0.013 0.000 2.251 409 N HA 0.140 4.880 4.740 0.001 0.000 0.217 409 N C 0.538 176.049 175.510 0.001 0.000 1.124 409 N CA -0.118 52.944 53.050 0.021 0.000 0.843 409 N CB 0.306 38.798 38.487 0.008 0.000 1.024 409 N HN 0.256 nan 8.380 nan 0.000 0.501 410 L N 0.988 122.201 121.223 -0.017 0.000 2.461 410 L HA 0.086 4.427 4.340 0.001 0.000 0.272 410 L C 0.468 177.289 176.870 -0.082 0.000 1.197 410 L CA 0.340 55.152 54.840 -0.047 0.000 0.836 410 L CB 0.535 42.557 42.059 -0.061 0.000 1.105 410 L HN -0.037 nan 8.230 nan 0.000 0.477 411 D N 2.531 122.859 120.400 -0.119 0.000 2.268 411 D HA 0.369 5.009 4.640 0.001 0.000 0.249 411 D C -2.325 173.780 176.300 -0.325 0.000 1.008 411 D CA -1.280 52.597 54.000 -0.206 0.000 0.939 411 D CB 1.380 42.121 40.800 -0.098 0.000 1.170 411 D HN 0.208 nan 8.370 nan 0.000 0.468 412 P HA 0.075 nan 4.420 nan 0.000 0.269 412 P C -0.450 176.729 177.300 -0.202 0.000 1.215 412 P CA -0.039 62.799 63.100 -0.438 0.000 0.780 412 P CB 0.647 32.011 31.700 -0.561 0.000 0.898 413 E N 1.482 121.618 120.200 -0.107 0.000 2.316 413 E HA 0.134 4.484 4.350 0.001 0.000 0.275 413 E C -0.311 176.263 176.600 -0.044 0.000 1.029 413 E CA -0.074 56.304 56.400 -0.037 0.000 0.871 413 E CB 0.462 30.192 29.700 0.049 0.000 1.022 413 E HN 0.259 nan 8.360 nan 0.000 0.418 414 K N 1.245 121.629 120.400 -0.027 0.000 2.156 414 K HA 0.396 4.717 4.320 0.001 0.000 0.254 414 K C -0.729 175.843 176.600 -0.048 0.000 0.950 414 K CA -0.481 55.805 56.287 -0.001 0.000 0.849 414 K CB 1.843 34.377 32.500 0.056 0.000 1.100 414 K HN 0.289 nan 8.250 nan 0.000 0.434 415 S N 2.394 118.057 115.700 -0.062 0.000 2.736 415 S HA 0.338 4.809 4.470 0.001 0.000 0.285 415 S C -1.494 173.024 174.600 -0.137 0.000 1.163 415 S CA -0.962 57.164 58.200 -0.124 0.000 1.025 415 S CB 0.427 63.500 63.200 -0.211 0.000 1.030 415 S HN 0.469 nan 8.310 nan 0.000 0.486 416 K N 3.333 123.660 120.400 -0.122 0.000 2.211 416 K HA 0.467 4.787 4.320 0.001 0.000 0.275 416 K C -0.477 175.985 176.600 -0.230 0.000 1.024 416 K CA -0.689 55.483 56.287 -0.192 0.000 0.887 416 K CB 1.292 33.788 32.500 -0.006 0.000 1.084 416 K HN 0.565 nan 8.250 nan 0.000 0.463 417 Q N 2.768 122.328 119.800 -0.401 0.000 2.304 417 Q HA 0.269 4.610 4.340 0.001 0.000 0.270 417 Q C -1.546 174.341 176.000 -0.188 0.000 1.035 417 Q CA -0.771 54.875 55.803 -0.262 0.000 0.781 417 Q CB 2.171 30.764 28.738 -0.242 0.000 1.261 417 Q HN 0.637 nan 8.270 nan 0.000 0.444 418 W N 2.746 124.000 121.300 -0.077 0.000 2.819 418 W HA 0.711 5.372 4.660 0.001 0.000 0.337 418 W C -1.478 175.107 176.519 0.110 0.000 1.077 418 W CA -0.942 56.444 57.345 0.069 0.000 1.226 418 W CB 1.068 30.676 29.460 0.246 0.000 1.419 418 W HN 0.595 nan 8.180 nan 0.000 0.502 419 E N 2.555 123.069 120.200 0.523 0.000 2.321 419 E HA 0.625 4.976 4.350 0.001 0.000 0.278 419 E C -1.067 175.704 176.600 0.285 0.000 0.902 419 E CA -0.827 55.792 56.400 0.365 0.000 0.758 419 E CB 1.866 31.688 29.700 0.203 0.000 1.213 419 E HN 0.908 nan 8.360 nan 0.000 0.426 420 G N 1.522 110.492 108.800 0.283 0.000 2.591 420 G HA2 0.791 4.751 3.960 0.001 0.000 0.306 420 G HA3 0.791 4.751 3.960 0.001 0.000 0.306 420 G C -1.415 173.598 174.900 0.188 0.000 1.334 420 G CA -0.195 45.011 45.100 0.177 0.000 0.981 420 G HN 0.565 nan 8.290 nan 0.000 0.491 421 A N 0.857 123.683 122.820 0.011 0.000 2.572 421 A HA 0.839 5.159 4.320 0.001 0.000 0.295 421 A C -1.961 175.672 177.584 0.083 0.000 1.072 421 A CA -0.673 51.450 52.037 0.144 0.000 0.691 421 A CB 1.373 20.414 19.000 0.069 0.000 1.291 421 A HN 0.644 nan 8.150 nan 0.000 0.404 422 F N 1.155 121.284 119.950 0.298 0.000 2.499 422 F HA 0.456 4.983 4.527 0.001 0.000 0.333 422 F C 0.419 176.301 175.800 0.136 0.000 1.138 422 F CA -0.160 58.051 58.000 0.352 0.000 0.945 422 F CB 2.104 41.434 39.000 0.549 0.000 1.181 422 F HN 0.714 nan 8.300 nan 0.000 0.435 423 E N 2.231 122.424 120.200 -0.012 0.000 2.207 423 E HA 0.909 5.259 4.350 0.001 0.000 0.270 423 E C -0.578 175.566 176.600 -0.760 0.000 0.927 423 E CA -1.180 54.981 56.400 -0.399 0.000 0.799 423 E CB 2.560 32.106 29.700 -0.257 0.000 1.172 423 E HN 0.702 nan 8.360 nan 0.000 0.404 424 G N 1.370 109.370 108.800 -1.333 0.000 2.632 424 G HA2 0.401 4.362 3.960 0.001 0.000 0.292 424 G HA3 0.401 4.362 3.960 0.001 0.000 0.292 424 G C -1.969 172.206 174.900 -1.208 0.000 1.465 424 G CA -1.009 43.276 45.100 -1.358 0.000 0.824 424 G HN 0.510 nan 8.290 nan 0.000 0.509 425 L N 1.126 121.779 121.223 -0.950 0.000 2.280 425 L HA 0.719 5.059 4.340 0.001 0.000 0.287 425 L C -0.385 176.337 176.870 -0.247 0.000 1.023 425 L CA -0.358 54.203 54.840 -0.465 0.000 0.819 425 L CB 1.731 43.590 42.059 -0.334 0.000 1.212 425 L HN 0.508 nan 8.230 nan 0.000 0.420 426 T N 4.032 118.654 114.554 0.113 0.000 2.847 426 T HA 0.440 4.790 4.350 0.001 0.000 0.291 426 T C 0.330 175.123 174.700 0.155 0.000 0.998 426 T CA 0.113 62.378 62.100 0.275 0.000 0.967 426 T CB 1.535 70.701 68.868 0.496 0.000 0.954 426 T HN 0.792 nan 8.240 nan 0.000 0.441 427 A N 2.350 125.236 122.820 0.110 0.000 2.311 427 A HA 0.074 4.395 4.320 0.001 0.000 0.284 427 A C 1.658 179.282 177.584 0.067 0.000 1.409 427 A CA 1.323 53.402 52.037 0.069 0.000 0.764 427 A CB -1.902 17.127 19.000 0.048 0.000 1.095 427 A HN 2.344 nan 8.150 nan 0.000 0.369 428 G N -3.203 105.640 108.800 0.073 0.000 2.143 428 G HA2 0.046 4.006 3.960 0.001 0.000 0.249 428 G HA3 0.046 4.006 3.960 0.001 0.000 0.249 428 G C 0.146 175.134 174.900 0.148 0.000 0.981 428 G CA 0.410 45.567 45.100 0.096 0.000 0.665 428 G HN 1.926 nan 8.290 nan 0.000 0.528 429 V N 0.792 120.793 119.914 0.145 0.000 2.487 429 V HA 0.534 4.655 4.120 0.001 0.000 0.298 429 V C -0.316 175.891 176.094 0.190 0.000 1.028 429 V CA -1.449 60.981 62.300 0.217 0.000 0.860 429 V CB 1.838 33.762 31.823 0.169 0.000 0.991 429 V HN 0.253 nan 8.190 nan 0.000 0.427 430 N N 5.503 124.298 118.700 0.158 0.000 2.419 430 N HA 0.466 5.207 4.740 0.001 0.000 0.277 430 N C -0.960 174.633 175.510 0.138 0.000 1.006 430 N CA -0.356 52.706 53.050 0.020 0.000 0.923 430 N CB 1.862 40.336 38.487 -0.021 0.000 1.140 430 N HN 0.858 nan 8.380 nan 0.000 0.488 431 W N 1.678 123.001 121.300 0.038 0.000 2.962 431 W HA 0.610 5.271 4.660 0.001 0.000 0.341 431 W C -0.934 175.633 176.519 0.079 0.000 1.155 431 W CA -0.844 56.540 57.345 0.065 0.000 1.165 431 W CB 1.370 30.868 29.460 0.064 0.000 1.435 431 W HN 0.151 nan 8.180 nan 0.000 0.546 432 R N 2.343 123.104 120.500 0.436 0.000 2.515 432 R HA 0.406 4.746 4.340 0.001 0.000 0.291 432 R C -1.056 175.494 176.300 0.417 0.000 1.046 432 R CA -0.800 55.514 56.100 0.356 0.000 0.914 432 R CB 2.241 32.646 30.300 0.175 0.000 1.191 432 R HN 0.322 nan 8.270 nan 0.000 0.435 433 I N 2.800 123.667 120.570 0.495 0.000 2.362 433 I HA 0.347 4.518 4.170 0.001 0.000 0.289 433 I C 0.045 176.384 176.117 0.369 0.000 0.994 433 I CA -0.472 61.046 61.300 0.363 0.000 1.158 433 I CB 1.346 39.519 38.000 0.288 0.000 1.315 433 I HN 0.618 nan 8.210 nan 0.000 0.451 434 S N 3.569 119.442 115.700 0.289 0.000 2.536 434 S HA 0.894 5.364 4.470 0.001 0.000 0.271 434 S C -0.493 174.241 174.600 0.223 0.000 1.134 434 S CA -0.782 57.583 58.200 0.275 0.000 0.897 434 S CB 2.244 65.588 63.200 0.239 0.000 1.094 434 S HN 0.826 nan 8.310 nan 0.000 0.473 435 G N 1.286 110.213 108.800 0.212 0.000 2.495 435 G HA2 0.705 4.666 3.960 0.001 0.000 0.318 435 G HA3 0.705 4.666 3.960 0.001 0.000 0.318 435 G C -1.305 173.671 174.900 0.127 0.000 1.257 435 G CA -0.970 44.179 45.100 0.081 0.000 0.962 435 G HN 0.977 nan 8.290 nan 0.000 0.483 436 Y N -0.224 120.102 120.300 0.044 0.000 2.512 436 Y HA 0.858 5.408 4.550 0.001 0.000 0.348 436 Y C -0.335 175.428 175.900 -0.227 0.000 0.990 436 Y CA -1.768 56.297 58.100 -0.057 0.000 1.033 436 Y CB 1.909 40.343 38.460 -0.042 0.000 1.259 436 Y HN 0.569 nan 8.280 nan 0.000 0.461 437 R N 2.430 122.758 120.500 -0.288 0.000 2.562 437 R HA 0.524 4.864 4.340 0.001 0.000 0.298 437 R C -1.889 174.241 176.300 -0.283 0.000 0.961 437 R CA -0.653 55.116 56.100 -0.552 0.000 0.881 437 R CB 1.190 30.537 30.300 -1.589 0.000 1.159 437 R HN 0.855 nan 8.270 nan 0.000 0.450 438 N N 2.739 121.330 118.700 -0.183 0.000 2.558 438 N HA 0.203 4.944 4.740 0.001 0.000 0.285 438 N C -1.799 173.643 175.510 -0.113 0.000 1.112 438 N CA -0.459 52.514 53.050 -0.128 0.000 0.857 438 N CB 1.349 39.791 38.487 -0.075 0.000 1.376 438 N HN 0.523 nan 8.380 nan 0.000 0.526 439 D N 2.244 122.581 120.400 -0.104 0.000 2.505 439 D HA 0.153 4.794 4.640 0.001 0.000 0.242 439 D C 0.158 176.423 176.300 -0.058 0.000 1.136 439 D CA -0.183 53.781 54.000 -0.059 0.000 0.954 439 D CB 0.840 41.632 40.800 -0.015 0.000 1.002 439 D HN 0.301 nan 8.370 nan 0.000 0.512 440 V N 0.686 120.558 119.914 -0.070 0.000 2.572 440 V HA 0.573 4.694 4.120 0.001 0.000 0.291 440 V C 0.650 176.731 176.094 -0.022 0.000 1.039 440 V CA -0.620 61.634 62.300 -0.076 0.000 1.055 440 V CB 0.724 32.485 31.823 -0.102 0.000 0.969 440 V HN 0.392 nan 8.190 nan 0.000 0.482 441 S N 1.331 117.023 115.700 -0.012 0.000 2.704 441 S HA 0.584 5.054 4.470 0.001 0.000 0.296 441 S C -0.406 174.205 174.600 0.017 0.000 1.138 441 S CA -0.420 57.789 58.200 0.014 0.000 0.875 441 S CB 1.807 65.022 63.200 0.025 0.000 1.151 441 S HN 0.865 nan 8.310 nan 0.000 0.500 442 D N 0.473 120.889 120.400 0.026 0.000 2.697 442 D HA -0.112 4.529 4.640 0.001 0.000 0.238 442 D C -0.455 175.861 176.300 0.027 0.000 1.152 442 D CA 0.705 54.719 54.000 0.024 0.000 0.666 442 D CB -1.390 39.416 40.800 0.011 0.000 1.037 442 D HN 0.578 nan 8.370 nan 0.000 0.423 443 L N -0.012 121.239 121.223 0.047 0.000 2.439 443 L HA 0.251 4.592 4.340 0.001 0.000 0.269 443 L C 1.379 178.293 176.870 0.072 0.000 1.179 443 L CA -0.240 54.639 54.840 0.064 0.000 0.828 443 L CB 0.530 42.635 42.059 0.078 0.000 1.106 443 L HN 0.007 nan 8.230 nan 0.000 0.467 444 I N 2.574 123.185 120.570 0.069 0.000 2.325 444 I HA 0.180 4.351 4.170 0.001 0.000 0.291 444 I C -0.524 175.713 176.117 0.199 0.000 1.019 444 I CA -0.089 61.275 61.300 0.107 0.000 1.302 444 I CB 0.708 38.718 38.000 0.017 0.000 1.401 444 I HN 0.534 nan 8.210 nan 0.000 0.485 445 D N 5.292 125.858 120.400 0.278 0.000 2.671 445 D HA 0.215 4.856 4.640 0.001 0.000 0.232 445 D C -1.080 175.370 176.300 0.251 0.000 1.114 445 D CA -0.421 53.739 54.000 0.267 0.000 0.858 445 D CB 2.529 43.408 40.800 0.132 0.000 1.544 445 D HN 0.356 nan 8.370 nan 0.000 0.471 446 Y N 0.892 121.137 120.300 -0.090 0.000 2.304 446 Y HA 0.254 4.805 4.550 0.001 0.000 0.328 446 Y C -0.448 175.275 175.900 -0.295 0.000 1.123 446 Y CA -0.297 57.515 58.100 -0.480 0.000 1.218 446 Y CB 1.113 39.120 38.460 -0.755 0.000 1.207 446 Y HN 0.168 nan 8.280 nan 0.000 0.495 447 D N 3.770 123.536 120.400 -1.057 0.000 2.308 447 D HA 0.182 4.823 4.640 0.001 0.000 0.242 447 D C -0.173 175.477 176.300 -1.083 0.000 1.059 447 D CA -0.459 53.028 54.000 -0.855 0.000 0.830 447 D CB 1.569 41.964 40.800 -0.674 0.000 1.161 447 D HN 0.679 nan 8.370 nan 0.000 0.494 448 D N 0.637 120.655 120.400 -0.637 0.000 2.117 448 D HA -0.143 4.498 4.640 0.001 0.000 0.198 448 D C 1.280 177.480 176.300 -0.167 0.000 0.982 448 D CA 0.918 54.712 54.000 -0.343 0.000 0.828 448 D CB -0.047 40.697 40.800 -0.093 0.000 0.967 448 D HN 0.569 nan 8.370 nan 0.000 0.464 449 H N -0.564 118.363 119.070 -0.237 0.000 2.563 449 H HA 0.016 4.573 4.556 0.001 0.000 0.272 449 H C 0.786 176.021 175.328 -0.155 0.000 1.005 449 H CA 1.352 57.309 56.048 -0.151 0.000 1.171 449 H CB 0.442 30.131 29.762 -0.123 0.000 1.351 449 H HN 0.286 nan 8.280 nan 0.000 0.602 450 T N -3.508 110.911 114.554 -0.225 0.000 2.992 450 T HA 0.076 4.427 4.350 0.001 0.000 0.255 450 T C 0.698 175.299 174.700 -0.165 0.000 0.938 450 T CA -0.050 61.918 62.100 -0.219 0.000 0.895 450 T CB 0.415 69.109 68.868 -0.290 0.000 1.221 450 T HN 0.121 nan 8.240 nan 0.000 0.512 451 L N 0.542 121.644 121.223 -0.201 0.000 3.598 451 L HA -0.077 4.264 4.340 0.001 0.000 0.422 451 L C -0.452 176.519 176.870 0.170 0.000 1.262 451 L CA 0.692 55.580 54.840 0.081 0.000 0.889 451 L CB -1.687 40.523 42.059 0.252 0.000 1.857 451 L HN 0.370 nan 8.230 nan 0.000 0.858 452 K N -1.457 118.897 120.400 -0.077 0.000 2.512 452 K HA 0.633 4.953 4.320 0.001 0.000 0.263 452 K C -0.975 175.639 176.600 0.022 0.000 0.966 452 K CA -0.647 55.692 56.287 0.085 0.000 0.851 452 K CB 1.325 33.915 32.500 0.150 0.000 1.395 452 K HN -0.112 nan 8.250 nan 0.000 0.440 453 Y N 1.568 122.049 120.300 0.302 0.000 2.404 453 Y HA 0.244 4.795 4.550 0.001 0.000 0.344 453 Y C -0.307 175.830 175.900 0.394 0.000 0.995 453 Y CA 0.306 58.571 58.100 0.276 0.000 1.201 453 Y CB 0.332 38.917 38.460 0.209 0.000 1.151 453 Y HN 0.410 nan 8.280 nan 0.000 0.517 454 Y N 1.066 121.471 120.300 0.176 0.000 2.596 454 Y HA 0.276 4.827 4.550 0.001 0.000 0.326 454 Y C 0.358 176.312 175.900 0.090 0.000 1.167 454 Y CA -1.379 56.777 58.100 0.092 0.000 1.246 454 Y CB 1.374 39.854 38.460 0.033 0.000 1.347 454 Y HN 0.367 nan 8.280 nan 0.000 0.515 455 N N 1.360 120.157 118.700 0.162 0.000 2.976 455 N HA 0.093 4.834 4.740 0.001 0.000 0.255 455 N C -0.215 175.341 175.510 0.076 0.000 1.312 455 N CA -0.151 52.948 53.050 0.082 0.000 0.897 455 N CB 0.178 38.671 38.487 0.009 0.000 1.184 455 N HN 0.775 nan 8.380 nan 0.000 0.497 456 E N -0.146 120.115 120.200 0.102 0.000 2.520 456 E HA 0.205 4.556 4.350 0.001 0.000 0.201 456 E C 1.008 177.645 176.600 0.062 0.000 0.894 456 E CA -0.382 56.068 56.400 0.082 0.000 1.161 456 E CB -0.475 29.288 29.700 0.104 0.000 1.137 456 E HN 0.194 nan 8.360 nan 0.000 0.510 457 G N 1.298 110.137 108.800 0.066 0.000 2.720 457 G HA2 0.189 4.149 3.960 0.001 0.000 0.237 457 G HA3 0.189 4.149 3.960 0.001 0.000 0.237 457 G C -0.593 174.333 174.900 0.044 0.000 1.239 457 G CA 0.053 45.185 45.100 0.052 0.000 0.847 457 G HN 0.120 nan 8.290 nan 0.000 0.593 458 K N -0.698 119.723 120.400 0.036 0.000 2.512 458 K HA 0.702 5.022 4.320 0.001 0.000 0.263 458 K C -0.877 175.737 176.600 0.023 0.000 0.966 458 K CA -0.692 55.611 56.287 0.028 0.000 0.851 458 K CB 2.632 35.147 32.500 0.025 0.000 1.395 458 K HN 0.788 nan 8.250 nan 0.000 0.440 459 A N 1.482 124.310 122.820 0.014 0.000 2.488 459 A HA 0.496 4.817 4.320 0.001 0.000 0.295 459 A C -1.541 176.038 177.584 -0.009 0.000 1.045 459 A CA -0.646 51.395 52.037 0.007 0.000 0.703 459 A CB 1.483 20.495 19.000 0.020 0.000 1.271 459 A HN 0.683 nan 8.150 nan 0.000 0.400 460 R N 3.151 123.643 120.500 -0.014 0.000 2.233 460 R HA 0.593 4.934 4.340 0.001 0.000 0.334 460 R C -1.322 174.956 176.300 -0.037 0.000 1.037 460 R CA -0.325 55.756 56.100 -0.032 0.000 0.920 460 R CB 0.153 30.438 30.300 -0.025 0.000 1.137 460 R HN 0.680 nan 8.270 nan 0.000 0.492 461 I N 4.537 125.081 120.570 -0.043 0.000 2.336 461 I HA 0.333 4.503 4.170 0.001 0.000 0.292 461 I C -0.147 175.949 176.117 -0.035 0.000 0.991 461 I CA -0.595 60.695 61.300 -0.018 0.000 1.227 461 I CB 1.663 39.677 38.000 0.024 0.000 1.366 461 I HN 0.373 nan 8.210 nan 0.000 0.466 462 K N 4.447 124.814 120.400 -0.054 0.000 2.397 462 K HA 0.792 5.113 4.320 0.001 0.000 0.253 462 K C -0.460 176.018 176.600 -0.203 0.000 0.932 462 K CA -0.655 55.552 56.287 -0.133 0.000 0.795 462 K CB 2.786 35.229 32.500 -0.094 0.000 1.159 462 K HN 0.852 nan 8.250 nan 0.000 0.424 463 G N 0.491 108.941 108.800 -0.584 0.000 2.660 463 G HA2 0.526 4.487 3.960 0.001 0.000 0.290 463 G HA3 0.526 4.487 3.960 0.001 0.000 0.290 463 G C -1.935 172.495 174.900 -0.784 0.000 1.432 463 G CA -0.437 44.268 45.100 -0.658 0.000 0.807 463 G HN 0.346 nan 8.290 nan 0.000 0.485 464 V N -0.336 119.461 119.914 -0.195 0.000 2.680 464 V HA 0.756 4.876 4.120 0.001 0.000 0.309 464 V C -0.794 175.405 176.094 0.175 0.000 1.052 464 V CA -0.741 61.557 62.300 -0.003 0.000 0.908 464 V CB 1.828 33.726 31.823 0.124 0.000 1.001 464 V HN 0.831 nan 8.190 nan 0.000 0.431 465 E N 4.159 124.501 120.200 0.236 0.000 2.191 465 E HA 0.747 5.097 4.350 0.001 0.000 0.263 465 E C -0.987 175.766 176.600 0.255 0.000 0.881 465 E CA -0.687 55.874 56.400 0.268 0.000 0.757 465 E CB 1.753 31.622 29.700 0.282 0.000 1.147 465 E HN 0.843 nan 8.360 nan 0.000 0.414 466 A N 3.647 126.632 122.820 0.275 0.000 2.409 466 A HA 0.460 4.781 4.320 0.001 0.000 0.300 466 A C -0.429 177.289 177.584 0.223 0.000 1.273 466 A CA -0.600 51.590 52.037 0.255 0.000 0.774 466 A CB 0.939 20.090 19.000 0.252 0.000 1.144 466 A HN 0.557 nan 8.150 nan 0.000 0.472 467 T N -0.712 113.966 114.554 0.207 0.000 2.885 467 T HA 0.885 5.235 4.350 0.001 0.000 0.285 467 T C -0.437 174.389 174.700 0.209 0.000 1.019 467 T CA -0.240 61.965 62.100 0.174 0.000 1.010 467 T CB 1.854 70.805 68.868 0.138 0.000 1.022 467 T HN 1.991 nan 8.240 nan 0.000 0.466 468 A N 2.785 125.718 122.820 0.188 0.000 2.512 468 A HA 0.704 5.025 4.320 0.001 0.000 0.294 468 A C -1.110 176.626 177.584 0.253 0.000 1.054 468 A CA -1.229 50.964 52.037 0.260 0.000 0.756 468 A CB 0.871 20.044 19.000 0.288 0.000 1.293 468 A HN 1.119 nan 8.150 nan 0.000 0.395 469 N N 0.375 119.230 118.700 0.257 0.000 2.258 469 N HA 0.873 5.614 4.740 0.001 0.000 0.299 469 N C -0.840 174.848 175.510 0.297 0.000 1.047 469 N CA -0.769 52.389 53.050 0.179 0.000 0.814 469 N CB 1.908 40.453 38.487 0.097 0.000 1.413 469 N HN 0.803 nan 8.380 nan 0.000 0.478 470 F N -2.248 117.789 119.950 0.145 0.000 2.665 470 F HA 0.541 5.069 4.527 0.001 0.000 0.308 470 F C -1.733 174.191 175.800 0.205 0.000 1.112 470 F CA -1.194 56.887 58.000 0.136 0.000 0.972 470 F CB 1.341 40.393 39.000 0.086 0.000 1.295 470 F HN 0.166 nan 8.300 nan 0.000 0.440 471 D N 1.431 122.016 120.400 0.308 0.000 2.210 471 D HA 0.454 5.094 4.640 0.001 0.000 0.249 471 D C -0.275 176.239 176.300 0.357 0.000 1.062 471 D CA -0.092 54.065 54.000 0.261 0.000 0.891 471 D CB 1.885 42.789 40.800 0.175 0.000 1.186 471 D HN 0.744 nan 8.370 nan 0.000 0.432 472 T N -0.746 114.020 114.554 0.353 0.000 3.068 472 T HA 0.581 4.932 4.350 0.001 0.000 0.364 472 T C 0.772 175.588 174.700 0.195 0.000 1.161 472 T CA -0.270 62.002 62.100 0.287 0.000 1.155 472 T CB 0.842 69.915 68.868 0.340 0.000 1.060 472 T HN 0.558 nan 8.240 nan 0.000 0.513 473 G N 5.009 113.897 108.800 0.147 0.000 2.561 473 G HA2 -0.237 3.724 3.960 0.001 0.000 0.289 473 G HA3 -0.237 3.724 3.960 0.001 0.000 0.289 473 G C -1.674 173.301 174.900 0.125 0.000 1.169 473 G CA 0.024 45.193 45.100 0.116 0.000 0.980 473 G HN 0.636 nan 8.290 nan 0.000 0.550 474 P HA 0.248 nan 4.420 nan 0.000 0.237 474 P C 0.663 178.091 177.300 0.213 0.000 1.178 474 P CA 0.575 63.778 63.100 0.173 0.000 0.766 474 P CB -0.021 31.805 31.700 0.210 0.000 0.876 475 L N -0.886 120.427 121.223 0.150 0.000 2.334 475 L HA 0.366 4.707 4.340 0.001 0.000 0.277 475 L C 0.202 177.102 176.870 0.050 0.000 1.075 475 L CA -0.144 54.734 54.840 0.063 0.000 0.804 475 L CB 1.052 43.071 42.059 -0.066 0.000 1.174 475 L HN -0.312 nan 8.230 nan 0.000 0.438 476 T N 1.222 115.750 114.554 -0.042 0.000 2.864 476 T HA 0.364 4.715 4.350 0.001 0.000 0.299 476 T C -0.631 173.965 174.700 -0.174 0.000 1.011 476 T CA -0.559 61.526 62.100 -0.026 0.000 0.975 476 T CB 0.308 69.213 68.868 0.062 0.000 0.962 476 T HN 0.385 nan 8.240 nan 0.000 0.448 477 H N 2.130 121.056 119.070 -0.241 0.000 2.488 477 H HA 0.380 4.937 4.556 0.001 0.000 0.322 477 H C -0.262 174.910 175.328 -0.260 0.000 1.078 477 H CA -0.509 55.361 56.048 -0.296 0.000 1.260 477 H CB 1.356 30.582 29.762 -0.893 0.000 1.425 477 H HN 0.417 nan 8.280 nan 0.000 0.471 478 T N 3.880 118.480 114.554 0.076 0.000 3.155 478 T HA 0.182 4.532 4.350 0.001 0.000 0.384 478 T C -0.014 174.708 174.700 0.037 0.000 1.351 478 T CA -0.379 61.755 62.100 0.057 0.000 1.198 478 T CB 0.520 69.461 68.868 0.120 0.000 1.106 478 T HN 0.239 nan 8.240 nan 0.000 0.564 479 V N 3.120 122.955 119.914 -0.132 0.000 2.834 479 V HA 0.937 5.058 4.120 0.001 0.000 0.313 479 V C -0.577 175.489 176.094 -0.046 0.000 1.060 479 V CA -0.284 61.858 62.300 -0.262 0.000 0.989 479 V CB 1.944 33.260 31.823 -0.845 0.000 1.041 479 V HN 0.937 nan 8.190 nan 0.000 0.459 480 S N 4.587 120.294 115.700 0.011 0.000 2.542 480 S HA 0.526 4.996 4.470 0.001 0.000 0.276 480 S C -1.527 173.166 174.600 0.155 0.000 1.148 480 S CA -0.633 57.623 58.200 0.094 0.000 0.886 480 S CB 1.246 64.500 63.200 0.090 0.000 1.109 480 S HN 0.996 nan 8.310 nan 0.000 0.458 481 Y N 1.542 121.879 120.300 0.062 0.000 2.393 481 Y HA 0.666 5.217 4.550 0.001 0.000 0.341 481 Y C -1.235 174.732 175.900 0.111 0.000 0.988 481 Y CA -0.412 57.736 58.100 0.081 0.000 1.078 481 Y CB 1.672 40.173 38.460 0.069 0.000 1.203 481 Y HN 0.803 nan 8.280 nan 0.000 0.453 482 D N 4.696 124.791 120.400 -0.508 0.000 2.646 482 D HA 0.148 4.789 4.640 0.001 0.000 0.245 482 D C -1.940 174.072 176.300 -0.480 0.000 1.099 482 D CA -0.280 53.551 54.000 -0.282 0.000 0.849 482 D CB 2.359 43.091 40.800 -0.113 0.000 1.448 482 D HN 0.567 nan 8.370 nan 0.000 0.489 483 Y N 1.672 121.830 120.300 -0.237 0.000 2.361 483 Y HA 0.515 5.066 4.550 0.001 0.000 0.337 483 Y C -1.570 174.304 175.900 -0.043 0.000 0.965 483 Y CA -0.688 57.339 58.100 -0.122 0.000 1.091 483 Y CB 1.451 39.958 38.460 0.078 0.000 1.182 483 Y HN 0.171 nan 8.280 nan 0.000 0.450 484 V N 5.805 125.308 119.914 -0.686 0.000 2.733 484 V HA 0.417 4.538 4.120 0.001 0.000 0.306 484 V C -1.902 173.819 176.094 -0.622 0.000 1.084 484 V CA -0.463 61.546 62.300 -0.484 0.000 0.905 484 V CB 2.111 33.855 31.823 -0.132 0.000 1.010 484 V HN 0.857 nan 8.190 nan 0.000 0.424 485 D N 5.331 125.483 120.400 -0.413 0.000 2.404 485 D HA 0.629 5.270 4.640 0.001 0.000 0.267 485 D C -0.056 176.178 176.300 -0.109 0.000 1.194 485 D CA 0.115 53.973 54.000 -0.238 0.000 0.910 485 D CB 1.321 42.041 40.800 -0.133 0.000 1.090 485 D HN 0.860 nan 8.370 nan 0.000 0.511 486 A N 3.848 126.613 122.820 -0.091 0.000 2.362 486 A HA 0.679 5.000 4.320 0.001 0.000 0.276 486 A C 0.189 177.750 177.584 -0.038 0.000 1.153 486 A CA -0.345 51.665 52.037 -0.045 0.000 0.813 486 A CB 0.449 19.430 19.000 -0.033 0.000 1.081 486 A HN 0.558 nan 8.150 nan 0.000 0.507 487 R N 1.593 122.078 120.500 -0.025 0.000 2.854 487 R HA 0.306 4.647 4.340 0.001 0.000 0.271 487 R C -0.853 175.440 176.300 -0.012 0.000 0.994 487 R CA -1.139 54.947 56.100 -0.022 0.000 0.945 487 R CB 1.314 31.602 30.300 -0.020 0.000 1.194 487 R HN 0.769 nan 8.270 nan 0.000 0.476 488 N N 0.851 119.543 118.700 -0.013 0.000 2.475 488 N HA 0.055 4.796 4.740 0.001 0.000 0.267 488 N C 0.516 176.024 175.510 -0.004 0.000 1.169 488 N CA 0.145 53.192 53.050 -0.005 0.000 0.947 488 N CB 1.603 40.084 38.487 -0.009 0.000 1.061 488 N HN 0.714 nan 8.380 nan 0.000 0.466 489 A N 4.554 127.376 122.820 0.003 0.000 2.067 489 A HA -0.067 4.253 4.320 0.001 0.000 0.219 489 A C 1.917 179.504 177.584 0.007 0.000 1.158 489 A CA 0.981 53.021 52.037 0.005 0.000 0.661 489 A CB -0.374 18.632 19.000 0.010 0.000 0.801 489 A HN 0.799 nan 8.150 nan 0.000 0.452 490 I N -0.647 119.926 120.570 0.005 0.000 2.364 490 I HA -0.118 4.053 4.170 0.001 0.000 0.241 490 I C 2.639 178.753 176.117 -0.004 0.000 1.082 490 I CA 1.661 62.964 61.300 0.004 0.000 1.401 490 I CB -0.522 37.481 38.000 0.005 0.000 1.126 490 I HN 0.416 nan 8.210 nan 0.000 0.429 491 T N -3.314 111.233 114.554 -0.010 0.000 3.081 491 T HA -0.019 4.332 4.350 0.001 0.000 0.255 491 T C 1.010 175.697 174.700 -0.022 0.000 1.113 491 T CA 0.683 62.772 62.100 -0.019 0.000 1.082 491 T CB -0.098 68.754 68.868 -0.028 0.000 0.939 491 T HN 0.330 nan 8.240 nan 0.000 0.506 492 D N 0.208 120.598 120.400 -0.017 0.000 3.059 492 D HA -0.151 4.490 4.640 0.001 0.000 0.213 492 D C -0.143 176.139 176.300 -0.030 0.000 1.144 492 D CA 1.362 55.352 54.000 -0.017 0.000 0.975 492 D CB -1.746 39.046 40.800 -0.012 0.000 1.125 492 D HN 0.522 nan 8.370 nan 0.000 0.412 493 T N 0.768 115.298 114.554 -0.040 0.000 2.909 493 T HA 0.481 4.832 4.350 0.001 0.000 0.289 493 T C -2.536 172.128 174.700 -0.060 0.000 1.005 493 T CA -1.334 60.728 62.100 -0.063 0.000 1.084 493 T CB 1.538 70.360 68.868 -0.077 0.000 0.975 493 T HN -0.014 nan 8.240 nan 0.000 0.509 494 P HA 0.213 nan 4.420 nan 0.000 0.276 494 P C -0.399 176.867 177.300 -0.056 0.000 1.230 494 P CA -0.401 62.664 63.100 -0.057 0.000 0.776 494 P CB 0.429 32.102 31.700 -0.046 0.000 0.888 495 L N 3.656 124.854 121.223 -0.042 0.000 2.584 495 L HA -0.045 4.296 4.340 0.001 0.000 0.272 495 L C 1.082 177.916 176.870 -0.059 0.000 1.195 495 L CA -0.321 54.496 54.840 -0.039 0.000 0.920 495 L CB -0.432 41.612 42.059 -0.024 0.000 1.173 495 L HN 0.321 nan 8.230 nan 0.000 0.489 496 L N 2.432 123.624 121.223 -0.051 0.000 2.472 496 L HA 0.370 4.711 4.340 0.001 0.000 0.260 496 L C 1.218 178.021 176.870 -0.111 0.000 1.209 496 L CA -0.373 54.443 54.840 -0.040 0.000 0.817 496 L CB 0.014 42.058 42.059 -0.024 0.000 1.106 496 L HN 0.645 nan 8.230 nan 0.000 0.479 497 R N -1.586 118.856 120.500 -0.097 0.000 3.977 497 R HA -0.185 4.156 4.340 0.001 0.000 0.428 497 R C -0.127 175.927 176.300 -0.410 0.000 1.079 497 R CA 1.201 57.183 56.100 -0.196 0.000 1.269 497 R CB -0.959 29.252 30.300 -0.149 0.000 1.856 497 R HN 0.816 nan 8.270 nan 0.000 0.551 498 R N 0.214 120.482 120.500 -0.388 0.000 2.490 498 R HA 0.549 4.890 4.340 0.001 0.000 0.278 498 R C -0.252 175.900 176.300 -0.246 0.000 1.069 498 R CA 0.541 56.400 56.100 -0.402 0.000 1.080 498 R CB 1.031 31.150 30.300 -0.301 0.000 1.030 498 R HN 0.320 nan 8.270 nan 0.000 0.491 499 A N 2.495 125.178 122.820 -0.228 0.000 2.289 499 A HA 0.233 4.553 4.320 0.001 0.000 0.298 499 A C 0.735 178.215 177.584 -0.173 0.000 1.208 499 A CA -0.656 51.270 52.037 -0.186 0.000 0.845 499 A CB 0.467 19.359 19.000 -0.181 0.000 1.125 499 A HN 0.863 nan 8.150 nan 0.000 0.517 500 K N 1.801 122.113 120.400 -0.147 0.000 2.059 500 K HA -0.206 4.115 4.320 0.001 0.000 0.212 500 K C 0.532 177.023 176.600 -0.181 0.000 1.050 500 K CA 2.021 58.222 56.287 -0.143 0.000 0.927 500 K CB -0.335 32.143 32.500 -0.036 0.000 0.714 500 K HN 0.832 nan 8.250 nan 0.000 0.447 501 Q N -0.446 119.297 119.800 -0.097 0.000 2.503 501 Q HA 0.267 4.608 4.340 0.001 0.000 0.268 501 Q C -1.746 174.194 176.000 -0.100 0.000 0.982 501 Q CA -0.926 54.811 55.803 -0.111 0.000 0.907 501 Q CB 1.388 30.163 28.738 0.062 0.000 1.467 501 Q HN 0.184 nan 8.270 nan 0.000 0.394 502 Q N 0.926 120.614 119.800 -0.187 0.000 2.348 502 Q HA 0.723 5.064 4.340 0.001 0.000 0.271 502 Q C -1.071 174.891 176.000 -0.062 0.000 1.067 502 Q CA -1.106 54.633 55.803 -0.107 0.000 0.839 502 Q CB 3.088 31.747 28.738 -0.132 0.000 1.354 502 Q HN 0.505 nan 8.270 nan 0.000 0.447 503 V N 2.333 122.307 119.914 0.100 0.000 2.407 503 V HA 0.345 4.465 4.120 0.001 0.000 0.291 503 V C -0.750 175.405 176.094 0.102 0.000 1.018 503 V CA -0.734 61.677 62.300 0.184 0.000 0.842 503 V CB 1.385 33.415 31.823 0.345 0.000 0.996 503 V HN 0.609 nan 8.190 nan 0.000 0.426 504 K N 4.974 125.423 120.400 0.082 0.000 2.358 504 K HA 0.582 4.903 4.320 0.001 0.000 0.260 504 K C -1.662 175.029 176.600 0.151 0.000 0.956 504 K CA -0.811 55.502 56.287 0.043 0.000 0.834 504 K CB 2.191 34.672 32.500 -0.031 0.000 1.102 504 K HN 0.538 nan 8.250 nan 0.000 0.431 505 Y N 2.378 122.715 120.300 0.062 0.000 2.354 505 Y HA 0.197 4.747 4.550 0.001 0.000 0.330 505 Y C -1.194 174.727 175.900 0.035 0.000 1.011 505 Y CA -1.110 57.039 58.100 0.081 0.000 1.099 505 Y CB 2.017 40.550 38.460 0.122 0.000 1.179 505 Y HN 0.610 nan 8.280 nan 0.000 0.442 506 Q N 5.716 125.770 119.800 0.422 0.000 2.330 506 Q HA 0.578 4.919 4.340 0.001 0.000 0.269 506 Q C -2.133 173.965 176.000 0.165 0.000 1.022 506 Q CA -1.026 54.892 55.803 0.193 0.000 0.796 506 Q CB 1.758 30.559 28.738 0.105 0.000 1.271 506 Q HN 0.665 nan 8.270 nan 0.000 0.450 507 L N 4.486 125.729 121.223 0.034 0.000 2.262 507 L HA 0.486 4.826 4.340 0.001 0.000 0.288 507 L C -1.460 175.525 176.870 0.191 0.000 1.035 507 L CA 0.085 54.876 54.840 -0.082 0.000 0.820 507 L CB 1.261 43.140 42.059 -0.299 0.000 1.204 507 L HN 0.619 nan 8.230 nan 0.000 0.424 508 D N 5.761 126.272 120.400 0.185 0.000 2.303 508 D HA 0.408 5.049 4.640 0.001 0.000 0.236 508 D C -1.350 175.212 176.300 0.436 0.000 1.068 508 D CA 0.359 54.562 54.000 0.338 0.000 0.830 508 D CB 1.047 41.983 40.800 0.226 0.000 1.109 508 D HN 0.672 nan 8.370 nan 0.000 0.496 509 W N 3.775 125.142 121.300 0.112 0.000 2.680 509 W HA 0.149 4.810 4.660 0.001 0.000 0.305 509 W C -0.744 175.917 176.519 0.236 0.000 1.033 509 W CA -1.028 56.387 57.345 0.116 0.000 1.242 509 W CB 0.508 29.995 29.460 0.045 0.000 1.138 509 W HN 0.060 nan 8.180 nan 0.000 0.358 510 Q N 4.663 124.518 119.800 0.092 0.000 2.313 510 Q HA 0.445 4.785 4.340 0.001 0.000 0.266 510 Q C -1.980 174.070 176.000 0.084 0.000 0.989 510 Q CA -0.254 55.578 55.803 0.047 0.000 0.890 510 Q CB 2.127 30.889 28.738 0.039 0.000 1.200 510 Q HN 0.860 nan 8.270 nan 0.000 0.396 511 L N 4.613 125.944 121.223 0.181 0.000 2.505 511 L HA 0.293 4.634 4.340 0.001 0.000 0.266 511 L C -1.422 175.760 176.870 0.520 0.000 0.954 511 L CA -0.191 54.811 54.840 0.269 0.000 0.852 511 L CB 1.090 43.287 42.059 0.231 0.000 1.282 511 L HN 0.640 nan 8.230 nan 0.000 0.403 512 Y N 4.086 124.511 120.300 0.208 0.000 3.389 512 Y HA -0.294 4.257 4.550 0.001 0.000 0.213 512 Y C 1.068 177.080 175.900 0.186 0.000 1.272 512 Y CA 1.179 59.422 58.100 0.239 0.000 1.444 512 Y CB -1.929 36.743 38.460 0.355 0.000 1.445 512 Y HN 0.902 nan 8.280 nan 0.000 0.583 513 D N -3.675 116.793 120.400 0.114 0.000 2.758 513 D HA -0.280 4.361 4.640 0.001 0.000 0.191 513 D C 0.108 176.290 176.300 -0.197 0.000 1.036 513 D CA 1.800 55.722 54.000 -0.129 0.000 1.030 513 D CB -1.280 39.321 40.800 -0.331 0.000 1.109 513 D HN 0.490 nan 8.370 nan 0.000 0.430 514 F N 1.344 121.341 119.950 0.078 0.000 2.533 514 F HA 0.149 4.676 4.527 0.001 0.000 0.378 514 F C 1.084 176.826 175.800 -0.098 0.000 1.070 514 F CA 0.008 58.036 58.000 0.046 0.000 1.172 514 F CB 0.448 39.559 39.000 0.185 0.000 1.085 514 F HN -0.178 nan 8.300 nan 0.000 0.552 515 D N 4.611 124.972 120.400 -0.064 0.000 2.295 515 D HA 0.161 4.802 4.640 0.001 0.000 0.248 515 D C -1.094 175.047 176.300 -0.265 0.000 1.154 515 D CA -0.102 53.835 54.000 -0.104 0.000 0.857 515 D CB 0.435 41.178 40.800 -0.094 0.000 1.117 515 D HN 0.306 nan 8.370 nan 0.000 0.468 516 W N 1.816 122.961 121.300 -0.260 0.000 2.706 516 W HA 0.669 5.329 4.660 0.001 0.000 0.346 516 W C 0.381 176.839 176.519 -0.100 0.000 1.071 516 W CA -0.698 56.405 57.345 -0.403 0.000 1.206 516 W CB 2.427 31.088 29.460 -1.331 0.000 1.413 516 W HN 0.451 nan 8.180 nan 0.000 0.542 517 G N 2.763 111.779 108.800 0.360 0.000 2.659 517 G HA2 0.499 4.460 3.960 0.001 0.000 0.291 517 G HA3 0.499 4.460 3.960 0.001 0.000 0.291 517 G C -2.019 173.136 174.900 0.426 0.000 1.379 517 G CA -0.691 44.656 45.100 0.412 0.000 1.254 517 G HN 0.235 nan 8.290 nan 0.000 0.590 518 I N 2.730 123.558 120.570 0.430 0.000 2.388 518 I HA 0.275 4.446 4.170 0.001 0.000 0.281 518 I C 0.732 176.968 176.117 0.198 0.000 1.046 518 I CA -0.686 60.823 61.300 0.349 0.000 1.187 518 I CB 0.865 39.102 38.000 0.395 0.000 1.351 518 I HN 0.446 nan 8.210 nan 0.000 0.472 519 T N 6.677 121.309 114.554 0.130 0.000 2.761 519 T HA 0.304 4.655 4.350 0.001 0.000 0.296 519 T C -0.814 173.876 174.700 -0.016 0.000 0.934 519 T CA 0.105 62.206 62.100 0.000 0.000 1.091 519 T CB 0.197 68.975 68.868 -0.149 0.000 0.896 519 T HN 0.350 nan 8.240 nan 0.000 0.515 520 Y N 3.855 124.014 120.300 -0.235 0.000 2.487 520 Y HA 0.591 5.142 4.550 0.001 0.000 0.337 520 Y C -0.385 175.338 175.900 -0.295 0.000 1.076 520 Y CA -1.012 56.817 58.100 -0.450 0.000 1.115 520 Y CB 1.888 39.901 38.460 -0.745 0.000 1.235 520 Y HN 0.751 nan 8.280 nan 0.000 0.468 521 Q N 4.796 123.872 119.800 -1.206 0.000 2.280 521 Q HA 0.240 4.580 4.340 0.001 0.000 0.259 521 Q C -2.492 172.930 176.000 -0.964 0.000 0.964 521 Q CA -0.747 54.559 55.803 -0.828 0.000 0.844 521 Q CB 1.314 29.760 28.738 -0.487 0.000 1.334 521 Q HN 0.782 nan 8.270 nan 0.000 0.423 522 Y N 5.778 125.654 120.300 -0.706 0.000 2.491 522 Y HA 0.438 4.989 4.550 0.001 0.000 0.334 522 Y C -1.548 174.221 175.900 -0.218 0.000 0.969 522 Y CA -0.950 56.931 58.100 -0.365 0.000 1.241 522 Y CB 0.542 38.960 38.460 -0.070 0.000 1.105 522 Y HN 0.576 nan 8.280 nan 0.000 0.503 523 L N 5.258 126.132 121.223 -0.583 0.000 2.265 523 L HA 0.749 5.090 4.340 0.001 0.000 0.288 523 L C 0.808 177.308 176.870 -0.617 0.000 1.058 523 L CA -0.432 54.130 54.840 -0.462 0.000 0.809 523 L CB 0.371 42.227 42.059 -0.338 0.000 1.179 523 L HN 0.640 nan 8.230 nan 0.000 0.429 524 G N 1.782 110.342 108.800 -0.400 0.000 2.447 524 G HA2 0.377 4.337 3.960 0.001 0.000 0.269 524 G HA3 0.377 4.337 3.960 0.001 0.000 0.269 524 G C -0.198 174.557 174.900 -0.241 0.000 1.455 524 G CA 0.046 44.975 45.100 -0.285 0.000 1.061 524 G HN 0.796 nan 8.290 nan 0.000 0.545 525 T N -1.052 113.396 114.554 -0.175 0.000 2.727 525 T HA 0.578 4.928 4.350 0.001 0.000 0.298 525 T C 0.321 174.855 174.700 -0.276 0.000 0.942 525 T CA -0.625 61.337 62.100 -0.231 0.000 0.997 525 T CB 1.138 69.850 68.868 -0.260 0.000 0.917 525 T HN 0.373 nan 8.240 nan 0.000 0.487 526 R N 2.110 122.463 120.500 -0.244 0.000 2.726 526 R HA 0.435 4.776 4.340 0.001 0.000 0.272 526 R C -0.812 175.312 176.300 -0.293 0.000 1.097 526 R CA -0.312 55.664 56.100 -0.207 0.000 1.198 526 R CB 0.355 30.579 30.300 -0.127 0.000 1.114 526 R HN 0.755 nan 8.270 nan 0.000 0.550 527 Y N -0.020 120.222 120.300 -0.098 0.000 2.426 527 Y HA 0.228 4.779 4.550 0.001 0.000 0.325 527 Y C -0.544 175.294 175.900 -0.104 0.000 0.989 527 Y CA -0.717 57.326 58.100 -0.095 0.000 1.284 527 Y CB 1.579 39.983 38.460 -0.094 0.000 1.104 527 Y HN 0.522 nan 8.280 nan 0.000 0.481 528 D N 2.364 122.792 120.400 0.047 0.000 2.340 528 D HA 0.374 5.014 4.640 0.001 0.000 0.243 528 D C -0.918 175.295 176.300 -0.144 0.000 0.988 528 D CA -0.713 53.275 54.000 -0.019 0.000 0.959 528 D CB 1.442 42.267 40.800 0.043 0.000 1.226 528 D HN 0.304 nan 8.370 nan 0.000 0.509 529 K N 0.821 121.099 120.400 -0.203 0.000 2.218 529 K HA 0.250 4.571 4.320 0.001 0.000 0.276 529 K C -0.676 175.571 176.600 -0.588 0.000 1.022 529 K CA -0.590 55.459 56.287 -0.397 0.000 0.946 529 K CB 0.855 33.065 32.500 -0.483 0.000 1.000 529 K HN 0.327 nan 8.250 nan 0.000 0.468 530 D N 1.181 121.258 120.400 -0.539 0.000 2.264 530 D HA 0.057 4.698 4.640 0.001 0.000 0.250 530 D C -0.788 175.358 176.300 -0.256 0.000 1.113 530 D CA -0.145 53.626 54.000 -0.381 0.000 0.871 530 D CB 0.535 41.176 40.800 -0.265 0.000 1.167 530 D HN 0.369 nan 8.370 nan 0.000 0.447 531 Y N 2.040 122.443 120.300 0.172 0.000 2.708 531 Y HA 0.248 4.799 4.550 0.001 0.000 0.287 531 Y C 1.637 177.737 175.900 0.334 0.000 1.145 531 Y CA -0.268 57.893 58.100 0.102 0.000 1.249 531 Y CB 0.471 38.843 38.460 -0.146 0.000 1.152 531 Y HN 0.326 nan 8.280 nan 0.000 0.532 532 S N -1.362 114.586 115.700 0.413 0.000 2.412 532 S HA 0.093 4.564 4.470 0.001 0.000 0.223 532 S C 0.777 175.547 174.600 0.283 0.000 1.048 532 S CA 0.241 58.627 58.200 0.310 0.000 0.954 532 S CB 0.236 63.571 63.200 0.225 0.000 0.840 532 S HN 0.133 nan 8.310 nan 0.000 0.503 533 S N 0.102 115.953 115.700 0.250 0.000 2.578 533 S HA 0.620 5.091 4.470 0.001 0.000 0.301 533 S C -1.363 173.288 174.600 0.085 0.000 1.091 533 S CA -0.520 57.772 58.200 0.153 0.000 1.032 533 S CB 1.499 64.749 63.200 0.083 0.000 1.064 533 S HN 0.414 nan 8.310 nan 0.000 0.508 534 Y N 3.131 123.336 120.300 -0.158 0.000 2.364 534 Y HA 0.501 5.052 4.550 0.001 0.000 0.340 534 Y C -2.021 173.764 175.900 -0.192 0.000 0.975 534 Y CA -1.889 56.002 58.100 -0.349 0.000 1.089 534 Y CB 0.779 39.002 38.460 -0.395 0.000 1.192 534 Y HN 0.493 nan 8.280 nan 0.000 0.454 535 P HA 0.070 nan 4.420 nan 0.000 0.269 535 P C -1.550 175.427 177.300 -0.539 0.000 1.215 535 P CA 0.022 62.469 63.100 -1.089 0.000 0.780 535 P CB 0.653 31.949 31.700 -0.672 0.000 0.898 536 Y N 0.338 120.494 120.300 -0.241 0.000 2.650 536 Y HA 0.085 4.636 4.550 0.001 0.000 0.342 536 Y C 1.504 177.284 175.900 -0.200 0.000 1.110 536 Y CA -0.080 57.936 58.100 -0.139 0.000 1.438 536 Y CB 0.356 38.752 38.460 -0.106 0.000 1.181 536 Y HN 0.375 nan 8.280 nan 0.000 0.526 537 Q N 2.649 122.424 119.800 -0.042 0.000 2.256 537 Q HA 0.191 4.532 4.340 0.001 0.000 0.254 537 Q C -0.145 175.766 176.000 -0.149 0.000 0.916 537 Q CA -0.850 54.894 55.803 -0.098 0.000 0.932 537 Q CB 1.036 29.723 28.738 -0.085 0.000 1.207 537 Q HN 0.748 nan 8.270 nan 0.000 0.426 538 T N -0.225 114.243 114.554 -0.142 0.000 2.930 538 T HA 0.371 4.722 4.350 0.001 0.000 0.306 538 T C -0.172 174.451 174.700 -0.129 0.000 1.045 538 T CA -0.697 61.312 62.100 -0.152 0.000 1.134 538 T CB 1.092 69.876 68.868 -0.140 0.000 0.961 538 T HN 0.344 nan 8.240 nan 0.000 0.545 539 V N 1.755 121.590 119.914 -0.132 0.000 3.078 539 V HA 0.599 4.720 4.120 0.001 0.000 0.311 539 V C -0.531 175.592 176.094 0.048 0.000 1.138 539 V CA -1.313 60.923 62.300 -0.107 0.000 1.007 539 V CB 2.318 33.939 31.823 -0.338 0.000 1.045 539 V HN 1.122 nan 8.190 nan 0.000 0.432 540 K N 4.523 124.958 120.400 0.059 0.000 2.234 540 K HA 0.477 4.798 4.320 0.001 0.000 0.282 540 K C -0.579 175.960 176.600 -0.101 0.000 1.039 540 K CA -0.566 55.683 56.287 -0.064 0.000 0.928 540 K CB 0.822 33.306 32.500 -0.027 0.000 1.039 540 K HN 0.582 nan 8.250 nan 0.000 0.470 541 M N 2.734 122.221 119.600 -0.189 0.000 2.233 541 M HA 0.200 4.680 4.480 0.001 0.000 0.355 541 M C 0.629 176.863 176.300 -0.109 0.000 1.191 541 M CA -0.437 54.815 55.300 -0.081 0.000 1.101 541 M CB 1.237 33.792 32.600 -0.074 0.000 1.592 541 M HN 0.779 nan 8.290 nan 0.000 0.461 542 G N 1.431 110.208 108.800 -0.038 0.000 2.491 542 G HA2 0.420 4.381 3.960 0.001 0.000 0.242 542 G HA3 0.420 4.381 3.960 0.001 0.000 0.242 542 G C 0.193 175.047 174.900 -0.077 0.000 1.266 542 G CA -0.489 44.589 45.100 -0.036 0.000 0.844 542 G HN 0.877 nan 8.290 nan 0.000 0.571 543 G N -0.226 108.528 108.800 -0.077 0.000 2.325 543 G HA2 0.587 4.548 3.960 0.001 0.000 0.298 543 G HA3 0.587 4.548 3.960 0.001 0.000 0.298 543 G C -0.142 174.648 174.900 -0.184 0.000 1.134 543 G CA 0.109 45.095 45.100 -0.189 0.000 0.876 543 G HN 1.352 nan 8.290 nan 0.000 0.452 544 V N -0.183 119.496 119.914 -0.392 0.000 3.040 544 V HA 0.850 4.971 4.120 0.001 0.000 0.312 544 V C -0.002 175.935 176.094 -0.262 0.000 1.115 544 V CA -1.097 61.095 62.300 -0.180 0.000 0.998 544 V CB 1.761 33.542 31.823 -0.069 0.000 1.042 544 V HN 0.607 nan 8.190 nan 0.000 0.433 545 S N 2.502 118.235 115.700 0.056 0.000 2.578 545 S HA 0.848 5.319 4.470 0.001 0.000 0.283 545 S C -0.572 173.963 174.600 -0.108 0.000 1.195 545 S CA -0.579 57.638 58.200 0.028 0.000 1.050 545 S CB 1.048 64.478 63.200 0.384 0.000 1.012 545 S HN 0.674 nan 8.310 nan 0.000 0.511 546 L N 2.095 123.080 121.223 -0.396 0.000 2.406 546 L HA 0.520 4.861 4.340 0.001 0.000 0.272 546 L C -1.591 175.135 176.870 -0.240 0.000 0.980 546 L CA -0.462 54.233 54.840 -0.242 0.000 0.831 546 L CB 1.421 43.241 42.059 -0.398 0.000 1.253 546 L HN 0.662 nan 8.230 nan 0.000 0.406 547 W N 1.754 123.117 121.300 0.106 0.000 2.606 547 W HA 0.542 5.203 4.660 0.001 0.000 0.332 547 W C -0.740 175.814 176.519 0.058 0.000 1.052 547 W CA -0.167 57.292 57.345 0.190 0.000 1.223 547 W CB 1.859 31.561 29.460 0.402 0.000 1.383 547 W HN 0.334 nan 8.180 nan 0.000 0.524 548 D N 2.322 122.877 120.400 0.258 0.000 2.879 548 D HA 0.489 5.130 4.640 0.001 0.000 0.236 548 D C -1.581 174.822 176.300 0.171 0.000 1.171 548 D CA -0.616 53.459 54.000 0.125 0.000 0.868 548 D CB 2.082 42.897 40.800 0.025 0.000 1.598 548 D HN 0.184 nan 8.370 nan 0.000 0.497 549 L N 1.528 122.823 121.223 0.119 0.000 2.322 549 L HA 0.849 5.190 4.340 0.001 0.000 0.281 549 L C -1.304 175.624 176.870 0.096 0.000 1.014 549 L CA -0.466 54.476 54.840 0.171 0.000 0.815 549 L CB 1.230 43.391 42.059 0.171 0.000 1.247 549 L HN 0.621 nan 8.230 nan 0.000 0.421 550 A N 5.083 127.968 122.820 0.109 0.000 2.375 550 A HA 0.696 5.017 4.320 0.001 0.000 0.295 550 A C -1.201 176.294 177.584 -0.148 0.000 1.066 550 A CA -0.487 51.555 52.037 0.008 0.000 0.722 550 A CB 1.522 20.563 19.000 0.068 0.000 1.206 550 A HN 0.685 nan 8.150 nan 0.000 0.435 551 V N -0.623 119.130 119.914 -0.269 0.000 2.715 551 V HA 1.002 5.123 4.120 0.001 0.000 0.310 551 V C 0.001 175.973 176.094 -0.203 0.000 1.054 551 V CA -0.445 61.584 62.300 -0.452 0.000 0.928 551 V CB 1.408 32.845 31.823 -0.643 0.000 1.007 551 V HN 1.972 nan 8.190 nan 0.000 0.437 552 A N 3.126 125.841 122.820 -0.175 0.000 2.402 552 A HA 0.742 5.063 4.320 0.001 0.000 0.291 552 A C -1.618 175.929 177.584 -0.062 0.000 1.051 552 A CA -0.473 51.517 52.037 -0.078 0.000 0.716 552 A CB 1.235 20.188 19.000 -0.078 0.000 1.223 552 A HN 1.235 nan 8.150 nan 0.000 0.425 553 Y N 4.116 124.315 120.300 -0.168 0.000 2.377 553 Y HA 0.646 5.197 4.550 0.001 0.000 0.339 553 Y C -2.492 173.305 175.900 -0.172 0.000 1.011 553 Y CA -2.189 55.750 58.100 -0.268 0.000 1.093 553 Y CB 2.615 40.834 38.460 -0.401 0.000 1.201 553 Y HN 0.477 nan 8.280 nan 0.000 0.455 554 P HA 0.167 nan 4.420 nan 0.000 0.291 554 P C -0.001 177.195 177.300 -0.173 0.000 1.378 554 P CA -0.088 62.845 63.100 -0.277 0.000 0.853 554 P CB 1.600 33.109 31.700 -0.319 0.000 1.002 555 V N 2.670 122.646 119.914 0.104 0.000 2.231 555 V HA -0.084 4.036 4.120 0.001 0.000 0.240 555 V C 1.242 177.388 176.094 0.087 0.000 1.039 555 V CA 2.013 64.421 62.300 0.180 0.000 0.998 555 V CB -1.003 30.920 31.823 0.166 0.000 0.639 555 V HN 0.465 nan 8.190 nan 0.000 0.451 556 T N -0.767 113.838 114.554 0.085 0.000 2.884 556 T HA 0.222 4.573 4.350 0.001 0.000 0.277 556 T C 0.736 175.424 174.700 -0.020 0.000 0.976 556 T CA -0.249 61.903 62.100 0.085 0.000 0.956 556 T CB 1.297 70.290 68.868 0.209 0.000 1.113 556 T HN 0.196 nan 8.240 nan 0.000 0.554 557 S N 0.201 115.847 115.700 -0.091 0.000 2.881 557 S HA 0.057 4.528 4.470 0.001 0.000 0.228 557 S C 0.220 174.418 174.600 -0.670 0.000 0.965 557 S CA 0.311 58.311 58.200 -0.333 0.000 0.998 557 S CB -0.581 62.403 63.200 -0.361 0.000 0.795 557 S HN 0.719 nan 8.310 nan 0.000 0.518 558 H N -0.896 118.085 119.070 -0.149 0.000 1.785 558 H HA 0.358 4.915 4.556 0.001 0.000 0.156 558 H C 0.042 175.258 175.328 -0.187 0.000 1.015 558 H CA -0.619 55.242 56.048 -0.312 0.000 1.056 558 H CB 0.051 29.423 29.762 -0.650 0.000 0.903 558 H HN 0.123 nan 8.280 nan 0.000 0.313 559 L N 3.362 124.667 121.223 0.137 0.000 2.433 559 L HA 0.208 4.549 4.340 0.001 0.000 0.275 559 L C -0.596 176.337 176.870 0.105 0.000 1.128 559 L CA 0.345 55.317 54.840 0.219 0.000 0.875 559 L CB 0.451 42.681 42.059 0.285 0.000 1.171 559 L HN 0.378 nan 8.230 nan 0.000 0.463 560 T N 3.088 117.692 114.554 0.084 0.000 2.833 560 T HA 0.238 4.589 4.350 0.001 0.000 0.297 560 T C -0.262 174.476 174.700 0.064 0.000 1.015 560 T CA -0.411 61.712 62.100 0.037 0.000 0.963 560 T CB 1.953 70.812 68.868 -0.015 0.000 0.955 560 T HN 0.250 nan 8.240 nan 0.000 0.449 561 V N 5.486 125.447 119.914 0.079 0.000 2.432 561 V HA 0.618 4.738 4.120 0.001 0.000 0.275 561 V C -0.080 176.046 176.094 0.054 0.000 1.043 561 V CA -0.665 61.682 62.300 0.077 0.000 0.925 561 V CB 0.469 32.343 31.823 0.085 0.000 0.985 561 V HN 0.885 nan 8.190 nan 0.000 0.466 562 R N 5.091 125.616 120.500 0.042 0.000 2.670 562 R HA 0.862 5.203 4.340 0.001 0.000 0.289 562 R C -0.300 176.012 176.300 0.019 0.000 0.965 562 R CA -0.743 55.366 56.100 0.015 0.000 0.899 562 R CB 2.051 32.354 30.300 0.004 0.000 1.173 562 R HN 0.739 nan 8.270 nan 0.000 0.456 563 G N 1.338 110.134 108.800 -0.008 0.000 2.533 563 G HA2 0.523 4.484 3.960 0.001 0.000 0.304 563 G HA3 0.523 4.484 3.960 0.001 0.000 0.304 563 G C -1.512 173.375 174.900 -0.021 0.000 1.263 563 G CA -0.716 44.383 45.100 -0.001 0.000 0.964 563 G HN 0.458 nan 8.290 nan 0.000 0.479 564 K N 0.861 121.254 120.400 -0.012 0.000 2.543 564 K HA 0.448 4.769 4.320 0.001 0.000 0.255 564 K C -1.759 174.795 176.600 -0.077 0.000 0.934 564 K CA -0.732 55.535 56.287 -0.034 0.000 0.810 564 K CB 2.139 34.620 32.500 -0.032 0.000 1.315 564 K HN 0.320 nan 8.250 nan 0.000 0.433 565 I N 3.074 123.572 120.570 -0.121 0.000 2.390 565 I HA 0.315 4.486 4.170 0.001 0.000 0.283 565 I C -0.063 175.914 176.117 -0.233 0.000 1.016 565 I CA -0.303 60.811 61.300 -0.310 0.000 1.151 565 I CB 1.579 39.391 38.000 -0.312 0.000 1.293 565 I HN 0.580 nan 8.210 nan 0.000 0.458 566 A N 4.764 127.435 122.820 -0.248 0.000 2.301 566 A HA 0.561 4.881 4.320 0.001 0.000 0.298 566 A C 0.587 178.094 177.584 -0.128 0.000 1.185 566 A CA -0.321 51.630 52.037 -0.144 0.000 0.830 566 A CB 0.239 19.166 19.000 -0.122 0.000 1.112 566 A HN 0.783 nan 8.150 nan 0.000 0.508 567 N N 0.858 119.531 118.700 -0.046 0.000 2.610 567 N HA -0.151 4.589 4.740 0.001 0.000 0.271 567 N C 0.197 175.698 175.510 -0.016 0.000 1.146 567 N CA 0.676 53.737 53.050 0.019 0.000 0.711 567 N CB -1.061 37.461 38.487 0.059 0.000 0.883 567 N HN 0.752 nan 8.380 nan 0.000 0.548 568 L N 1.520 122.724 121.223 -0.032 0.000 2.013 568 L HA -0.002 4.338 4.340 0.001 0.000 0.212 568 L C 1.547 178.237 176.870 -0.300 0.000 1.073 568 L CA 2.091 56.779 54.840 -0.253 0.000 0.753 568 L CB -0.458 41.352 42.059 -0.415 0.000 0.890 568 L HN 0.508 nan 8.230 nan 0.000 0.432 569 F N -0.503 119.482 119.950 0.059 0.000 2.664 569 F HA 0.144 4.671 4.527 0.001 0.000 0.301 569 F C 0.689 176.525 175.800 0.060 0.000 1.126 569 F CA 0.038 58.067 58.000 0.047 0.000 1.373 569 F CB -0.530 38.506 39.000 0.059 0.000 1.042 569 F HN 0.091 nan 8.300 nan 0.000 0.535 570 D N 1.511 122.008 120.400 0.161 0.000 2.735 570 D HA -0.253 4.387 4.640 0.001 0.000 0.235 570 D C 0.114 176.507 176.300 0.154 0.000 1.175 570 D CA 0.441 54.516 54.000 0.125 0.000 0.683 570 D CB -0.566 40.290 40.800 0.092 0.000 1.008 570 D HN 0.127 nan 8.370 nan 0.000 0.416 571 K N 0.429 120.945 120.400 0.194 0.000 2.154 571 K HA 0.283 4.604 4.320 0.001 0.000 0.264 571 K C -0.114 176.605 176.600 0.199 0.000 1.008 571 K CA -0.395 56.011 56.287 0.199 0.000 0.937 571 K CB 0.725 33.350 32.500 0.209 0.000 1.002 571 K HN -0.030 nan 8.250 nan 0.000 0.469 572 D N 3.207 123.695 120.400 0.146 0.000 3.179 572 D HA 0.074 4.714 4.640 0.001 0.000 0.267 572 D C -0.799 175.548 176.300 0.079 0.000 1.348 572 D CA -0.026 54.019 54.000 0.076 0.000 0.897 572 D CB -0.537 40.286 40.800 0.038 0.000 1.062 572 D HN 0.411 nan 8.370 nan 0.000 0.494 573 Y N -0.863 119.429 120.300 -0.014 0.000 2.301 573 Y HA 0.585 5.136 4.550 0.001 0.000 0.328 573 Y C 0.029 175.911 175.900 -0.030 0.000 1.242 573 Y CA -0.691 57.390 58.100 -0.031 0.000 1.323 573 Y CB 1.079 39.508 38.460 -0.051 0.000 1.266 573 Y HN -0.178 nan 8.280 nan 0.000 0.527 574 E N 0.764 120.915 120.200 -0.081 0.000 2.340 574 E HA 0.223 4.573 4.350 0.001 0.000 0.273 574 E C -0.378 176.233 176.600 0.017 0.000 0.891 574 E CA -0.347 55.967 56.400 -0.143 0.000 0.757 574 E CB 2.269 31.910 29.700 -0.099 0.000 1.231 574 E HN 0.841 nan 8.360 nan 0.000 0.439 575 T N -2.635 111.925 114.554 0.011 0.000 3.000 575 T HA 0.173 4.524 4.350 0.001 0.000 0.248 575 T C 0.513 175.238 174.700 0.042 0.000 1.034 575 T CA -0.008 62.120 62.100 0.048 0.000 1.060 575 T CB 0.293 69.200 68.868 0.064 0.000 0.983 575 T HN 0.148 nan 8.240 nan 0.000 0.482 576 V N 2.533 122.467 119.914 0.033 0.000 2.357 576 V HA 0.376 4.496 4.120 0.001 0.000 0.284 576 V C -0.686 175.512 176.094 0.173 0.000 1.018 576 V CA -1.586 60.754 62.300 0.066 0.000 0.841 576 V CB 0.493 32.263 31.823 -0.089 0.000 0.991 576 V HN 0.476 nan 8.190 nan 0.000 0.437 577 Y N 4.740 125.100 120.300 0.100 0.000 2.802 577 Y HA 0.340 4.890 4.550 0.001 0.000 0.333 577 Y C 1.316 177.332 175.900 0.193 0.000 1.244 577 Y CA 2.077 60.243 58.100 0.110 0.000 1.558 577 Y CB 0.304 38.808 38.460 0.073 0.000 1.233 577 Y HN 0.950 nan 8.280 nan 0.000 0.547 578 G N 3.633 112.235 108.800 -0.330 0.000 2.604 578 G HA2 -0.302 3.659 3.960 0.001 0.000 0.205 578 G HA3 -0.302 3.659 3.960 0.001 0.000 0.205 578 G C -0.458 174.360 174.900 -0.137 0.000 1.186 578 G CA -0.133 44.846 45.100 -0.202 0.000 0.753 578 G HN 0.555 nan 8.290 nan 0.000 0.526 579 Y N 4.263 124.495 120.300 -0.113 0.000 2.537 579 Y HA 0.442 4.992 4.550 0.001 0.000 0.339 579 Y C 1.332 177.144 175.900 -0.147 0.000 1.066 579 Y CA 0.318 58.358 58.100 -0.100 0.000 1.357 579 Y CB 0.494 38.913 38.460 -0.067 0.000 1.175 579 Y HN 0.580 nan 8.280 nan 0.000 0.525 580 Q N 1.308 121.074 119.800 -0.058 0.000 2.299 580 Q HA 0.545 4.886 4.340 0.001 0.000 0.246 580 Q C -0.908 175.007 176.000 -0.141 0.000 0.935 580 Q CA -0.652 55.076 55.803 -0.126 0.000 0.887 580 Q CB 1.004 29.672 28.738 -0.117 0.000 1.223 580 Q HN 0.528 nan 8.270 nan 0.000 0.439 581 T N 0.790 115.176 114.554 -0.279 0.000 2.841 581 T HA 0.607 4.958 4.350 0.001 0.000 0.283 581 T C -0.323 174.236 174.700 -0.235 0.000 1.000 581 T CA -0.616 61.304 62.100 -0.300 0.000 0.977 581 T CB 1.618 70.165 68.868 -0.534 0.000 0.979 581 T HN 0.801 nan 8.240 nan 0.000 0.446 582 A N 2.161 124.926 122.820 -0.093 0.000 2.555 582 A HA 0.570 4.891 4.320 0.001 0.000 0.233 582 A C 1.120 178.721 177.584 0.028 0.000 1.060 582 A CA 0.309 52.330 52.037 -0.027 0.000 0.759 582 A CB -0.240 18.755 19.000 -0.008 0.000 0.995 582 A HN 1.020 nan 8.150 nan 0.000 0.506 583 G N 0.697 109.517 108.800 0.035 0.000 3.380 583 G HA2 0.306 4.267 3.960 0.001 0.000 0.188 583 G HA3 0.306 4.267 3.960 0.001 0.000 0.188 583 G C 0.334 175.245 174.900 0.019 0.000 1.892 583 G CA -0.650 44.491 45.100 0.069 0.000 0.912 583 G HN 0.830 nan 8.290 nan 0.000 0.609 584 R N 1.987 122.491 120.500 0.006 0.000 2.486 584 R HA 0.188 4.529 4.340 0.001 0.000 0.303 584 R C -0.459 175.803 176.300 -0.064 0.000 0.958 584 R CA 0.868 56.933 56.100 -0.059 0.000 1.077 584 R CB -0.167 30.157 30.300 0.039 0.000 0.921 584 R HN 0.716 nan 8.270 nan 0.000 0.406 585 E N 2.945 123.001 120.200 -0.241 0.000 2.354 585 E HA 0.211 4.562 4.350 0.001 0.000 0.283 585 E C -1.574 174.811 176.600 -0.358 0.000 0.938 585 E CA -0.877 55.432 56.400 -0.150 0.000 0.777 585 E CB 1.008 30.656 29.700 -0.087 0.000 1.222 585 E HN 0.301 nan 8.360 nan 0.000 0.423 586 Y N 0.552 120.774 120.300 -0.130 0.000 2.468 586 Y HA 0.607 5.158 4.550 0.001 0.000 0.342 586 Y C -0.222 175.561 175.900 -0.195 0.000 1.021 586 Y CA -0.670 57.338 58.100 -0.152 0.000 1.079 586 Y CB 2.888 41.245 38.460 -0.170 0.000 1.226 586 Y HN 0.504 nan 8.280 nan 0.000 0.460 587 T N 4.193 118.738 114.554 -0.015 0.000 3.011 587 T HA 0.399 4.749 4.350 0.001 0.000 0.303 587 T C -1.323 173.383 174.700 0.010 0.000 0.997 587 T CA -0.618 61.458 62.100 -0.041 0.000 1.007 587 T CB 0.900 69.723 68.868 -0.074 0.000 1.017 587 T HN 0.221 nan 8.240 nan 0.000 0.443 588 L N 3.792 125.035 121.223 0.032 0.000 2.317 588 L HA 0.804 5.144 4.340 0.001 0.000 0.281 588 L C 0.245 177.200 176.870 0.142 0.000 1.024 588 L CA -0.174 54.724 54.840 0.096 0.000 0.810 588 L CB 1.395 43.542 42.059 0.146 0.000 1.240 588 L HN 0.963 nan 8.230 nan 0.000 0.427 589 S N 1.265 117.032 115.700 0.110 0.000 2.550 589 S HA 0.921 5.391 4.470 0.001 0.000 0.270 589 S C -0.485 174.168 174.600 0.088 0.000 1.145 589 S CA -0.756 57.506 58.200 0.103 0.000 0.852 589 S CB 2.217 65.473 63.200 0.094 0.000 1.119 589 S HN 0.815 nan 8.310 nan 0.000 0.465 590 G N 0.319 109.172 108.800 0.088 0.000 2.667 590 G HA2 0.712 4.672 3.960 0.001 0.000 0.298 590 G HA3 0.712 4.672 3.960 0.001 0.000 0.298 590 G C -0.993 173.973 174.900 0.110 0.000 1.377 590 G CA -0.581 44.578 45.100 0.099 0.000 0.964 590 G HN 1.417 nan 8.290 nan 0.000 0.493 591 S N -0.379 115.396 115.700 0.125 0.000 2.549 591 S HA 0.677 5.147 4.470 0.001 0.000 0.280 591 S C -1.694 173.043 174.600 0.228 0.000 1.109 591 S CA -0.842 57.447 58.200 0.148 0.000 0.905 591 S CB 2.131 65.380 63.200 0.082 0.000 1.081 591 S HN 0.853 nan 8.310 nan 0.000 0.477 592 Y N 1.864 122.239 120.300 0.125 0.000 2.646 592 Y HA 0.445 4.996 4.550 0.001 0.000 0.334 592 Y C -0.489 175.580 175.900 0.282 0.000 1.004 592 Y CA -0.258 57.964 58.100 0.203 0.000 1.301 592 Y CB 1.070 39.655 38.460 0.208 0.000 1.093 592 Y HN 0.837 nan 8.280 nan 0.000 0.530 593 T N 7.155 121.692 114.554 -0.029 0.000 2.771 593 T HA 0.502 4.853 4.350 0.001 0.000 0.291 593 T C -0.746 174.000 174.700 0.077 0.000 0.954 593 T CA -0.049 62.027 62.100 -0.039 0.000 1.045 593 T CB 0.039 68.850 68.868 -0.096 0.000 0.917 593 T HN 0.494 nan 8.240 nan 0.000 0.484 594 F N 0.000 119.938 119.950 -0.019 0.000 2.286 594 F HA 0.000 4.528 4.527 0.001 0.000 0.279 594 F CA 0.000 58.042 58.000 0.070 0.000 1.383 594 F CB 0.000 39.027 39.000 0.045 0.000 1.145 594 F HN 0.000 nan 8.300 nan 0.000 0.574