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 3dbh_1_C DATA FIRST_RESID 6 DATA SEQUENCE KLLKEQKYDR QLRLWGDHGQ EALESAHVCL INATATGTEI LKNLVLPGIG DATA SEQUENCE SFTIIDGNQV SGEDAGNNFF LQRSSIGKNR AEAAMEFLQE LNSDVSGSFV DATA SEQUENCE EESPENLLDN DPSFFCRFTV VVATQLPEST SLRLADVLWN SQIPLLICRT DATA SEQUENCE YGLVGYMRII IKEHPVIESH PDNALEDLRL DKPFPELREH FQSYDXDXME DATA SEQUENCE XXDHSHTPWI VIIAKYLAQW YSETNGRIPK TYKEKEDFRD LIRQGILKXX DATA SEQUENCE XXXPEDEENF EEAIKNVNTA LNTTQIPSSI EDIFNDDRCI NITKQTPSFW DATA SEQUENCE ILARALKEFV AKEGQGNLPV RGTIPDMIAD SGKYIKLQNV YREKAKKDAA DATA SEQUENCE AVGNHVAKLL QSIGQAPESI SEKELKLLCS NSAFLRVVRC RSLAEEYGLD DATA SEQUENCE TINKDEIISS MDNPDNEIVL YLMLRAVDRF HKQQGRYPGV SNYQVEEDIG DATA SEQUENCE KLKSCLTGFL QEYGLSVMVK DDYVHEFCRY GAAEPHTIAA FLGGAAAQEV DATA SEQUENCE IKIITKQFVI FNNTYIYSGM SQTSATFQL 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.616 176.600 0.027 0.000 0.988 6 K CA 0.000 56.303 56.287 0.027 0.000 0.838 6 K CB 0.000 32.514 32.500 0.024 0.000 1.064 7 L N 2.672 123.906 121.223 0.018 0.000 2.456 7 L HA 0.096 4.436 4.340 0.001 0.000 0.224 7 L C 1.806 178.677 176.870 0.001 0.000 1.148 7 L CA 0.985 55.835 54.840 0.016 0.000 0.825 7 L CB -0.115 41.951 42.059 0.012 0.000 0.937 7 L HN 0.327 nan 8.230 nan 0.000 0.450 8 L N -1.140 120.077 121.223 -0.010 0.000 2.217 8 L HA -0.110 4.231 4.340 0.001 0.000 0.211 8 L C 2.277 179.104 176.870 -0.073 0.000 1.107 8 L CA 1.517 56.336 54.840 -0.035 0.000 0.783 8 L CB -0.462 41.576 42.059 -0.035 0.000 0.919 8 L HN 0.190 nan 8.230 nan 0.000 0.442 9 K N -0.478 119.888 120.400 -0.056 0.000 2.062 9 K HA -0.173 4.148 4.320 0.001 0.000 0.205 9 K C 1.844 178.412 176.600 -0.054 0.000 1.051 9 K CA 1.321 57.540 56.287 -0.113 0.000 0.941 9 K CB -0.161 32.370 32.500 0.052 0.000 0.719 9 K HN 0.348 nan 8.250 nan 0.000 0.440 10 E N 1.089 121.315 120.200 0.042 0.000 2.501 10 E HA -0.217 4.134 4.350 0.001 0.000 0.203 10 E C 1.490 178.106 176.600 0.026 0.000 1.072 10 E CA 0.859 57.304 56.400 0.075 0.000 0.885 10 E CB 0.211 29.949 29.700 0.064 0.000 0.813 10 E HN 0.326 nan 8.360 nan 0.000 0.556 11 Q N -0.494 119.288 119.800 -0.031 0.000 2.324 11 Q HA -0.027 4.314 4.340 0.001 0.000 0.207 11 Q C 1.758 177.712 176.000 -0.078 0.000 0.928 11 Q CA 0.934 56.710 55.803 -0.045 0.000 0.890 11 Q CB 0.285 28.994 28.738 -0.049 0.000 1.001 11 Q HN 0.130 nan 8.270 nan 0.000 0.517 12 K N -1.153 119.136 120.400 -0.184 0.000 2.404 12 K HA 0.010 4.331 4.320 0.001 0.000 0.194 12 K C 0.447 176.940 176.600 -0.177 0.000 1.023 12 K CA 0.697 56.846 56.287 -0.230 0.000 1.094 12 K CB 0.289 32.578 32.500 -0.352 0.000 0.841 12 K HN 0.196 nan 8.250 nan 0.000 0.523 13 Y N 0.505 120.813 120.300 0.015 0.000 2.500 13 Y HA 0.066 4.616 4.550 0.000 0.000 0.246 13 Y C 1.499 177.380 175.900 -0.032 0.000 1.146 13 Y CA -0.740 57.367 58.100 0.011 0.000 1.230 13 Y CB 0.500 38.995 38.460 0.059 0.000 1.214 13 Y HN 0.215 nan 8.280 nan 0.000 0.526 14 D N 1.480 121.934 120.400 0.091 0.000 2.157 14 D HA -0.237 4.403 4.640 0.001 0.000 0.191 14 D C 1.818 178.101 176.300 -0.028 0.000 1.004 14 D CA 1.492 55.508 54.000 0.026 0.000 0.854 14 D CB 0.297 41.100 40.800 0.004 0.000 0.936 14 D HN 0.225 nan 8.370 nan 0.000 0.446 15 R N 0.191 120.669 120.500 -0.038 0.000 2.105 15 R HA -0.165 4.176 4.340 0.001 0.000 0.239 15 R C 2.411 178.582 176.300 -0.215 0.000 1.135 15 R CA 1.559 57.600 56.100 -0.098 0.000 0.967 15 R CB -0.728 29.528 30.300 -0.072 0.000 0.861 15 R HN 0.661 nan 8.270 nan 0.000 0.442 16 Q N -0.215 119.423 119.800 -0.270 0.000 2.402 16 Q HA 0.101 4.441 4.340 0.001 0.000 0.206 16 Q C 1.864 177.407 176.000 -0.761 0.000 0.919 16 Q CA 0.300 55.701 55.803 -0.670 0.000 0.923 16 Q CB -0.073 28.241 28.738 -0.705 0.000 1.048 16 Q HN 0.242 nan 8.270 nan 0.000 0.515 17 L N 0.569 121.603 121.223 -0.316 0.000 2.376 17 L HA 0.017 4.357 4.340 0.001 0.000 0.219 17 L C 1.900 178.678 176.870 -0.153 0.000 1.133 17 L CA 0.705 55.444 54.840 -0.168 0.000 0.816 17 L CB -0.042 42.018 42.059 0.002 0.000 0.933 17 L HN 0.180 nan 8.230 nan 0.000 0.449 18 R N -0.579 119.810 120.500 -0.185 0.000 2.320 18 R HA 0.119 4.459 4.340 0.001 0.000 0.211 18 R C 1.203 177.412 176.300 -0.151 0.000 0.931 18 R CA 0.264 56.292 56.100 -0.121 0.000 1.071 18 R CB 0.241 30.480 30.300 -0.101 0.000 1.025 18 R HN 0.365 nan 8.270 nan 0.000 0.495 19 L N -2.043 119.016 121.223 -0.274 0.000 2.666 19 L HA 0.156 4.496 4.340 0.001 0.000 0.184 19 L C 1.076 177.934 176.870 -0.020 0.000 1.092 19 L CA 0.034 54.733 54.840 -0.234 0.000 0.857 19 L CB -0.050 41.728 42.059 -0.468 0.000 1.281 19 L HN 0.281 nan 8.230 nan 0.000 0.489 20 W N 0.600 121.914 121.300 0.023 0.000 3.127 20 W HA 0.674 5.334 4.660 0.000 0.000 0.344 20 W C 0.751 177.141 176.519 -0.215 0.000 1.151 20 W CA -0.394 56.939 57.345 -0.020 0.000 1.765 20 W CB -1.073 28.398 29.460 0.019 0.000 1.085 20 W HN 0.158 nan 8.180 nan 0.000 0.596 21 G N 1.764 110.623 108.800 0.098 0.000 2.752 21 G HA2 -0.355 3.605 3.960 0.001 0.000 0.234 21 G HA3 -0.355 3.605 3.960 0.001 0.000 0.234 21 G C 0.487 175.472 174.900 0.141 0.000 1.367 21 G CA 0.364 45.533 45.100 0.115 0.000 0.879 21 G HN 0.149 nan 8.290 nan 0.000 0.563 22 D N 0.087 120.622 120.400 0.224 0.000 2.097 22 D HA -0.110 4.531 4.640 0.001 0.000 0.195 22 D C 2.179 178.592 176.300 0.189 0.000 0.989 22 D CA 2.085 56.207 54.000 0.203 0.000 0.827 22 D CB -0.463 40.452 40.800 0.192 0.000 0.966 22 D HN 0.740 nan 8.370 nan 0.000 0.456 23 H N -0.062 119.069 119.070 0.103 0.000 2.353 23 H HA -0.009 4.547 4.556 0.001 0.000 0.300 23 H C 2.211 177.576 175.328 0.063 0.000 1.090 23 H CA 1.574 57.663 56.048 0.069 0.000 1.327 23 H CB -1.127 28.666 29.762 0.052 0.000 1.383 23 H HN 0.153 nan 8.280 nan 0.000 0.508 24 G N 0.798 109.348 108.800 -0.416 0.000 2.491 24 G HA2 -0.387 3.573 3.960 0.001 0.000 0.218 24 G HA3 -0.387 3.573 3.960 0.001 0.000 0.218 24 G C 1.804 176.550 174.900 -0.256 0.000 1.180 24 G CA 1.291 46.215 45.100 -0.293 0.000 0.774 24 G HN 0.430 nan 8.290 nan 0.000 0.562 25 Q N 0.589 120.369 119.800 -0.034 0.000 2.045 25 Q HA -0.115 4.226 4.340 0.001 0.000 0.206 25 Q C 2.450 178.414 176.000 -0.059 0.000 0.991 25 Q CA 2.194 57.982 55.803 -0.024 0.000 0.851 25 Q CB -0.467 28.339 28.738 0.114 0.000 0.911 25 Q HN 0.701 nan 8.270 nan 0.000 0.418 26 E N -0.507 119.692 120.200 -0.002 0.000 2.049 26 E HA -0.269 4.081 4.350 0.001 0.000 0.198 26 E C 1.904 178.487 176.600 -0.028 0.000 1.007 26 E CA 1.174 57.579 56.400 0.007 0.000 0.809 26 E CB -0.373 29.352 29.700 0.041 0.000 0.749 26 E HN 0.485 nan 8.360 nan 0.000 0.450 27 A N 1.170 123.963 122.820 -0.046 0.000 1.892 27 A HA -0.233 4.088 4.320 0.001 0.000 0.218 27 A C 2.186 179.708 177.584 -0.103 0.000 1.188 27 A CA 1.520 53.519 52.037 -0.063 0.000 0.631 27 A CB -0.753 18.201 19.000 -0.076 0.000 0.822 27 A HN 0.218 nan 8.150 nan 0.000 0.447 28 L N 0.022 121.133 121.223 -0.185 0.000 1.961 28 L HA -0.169 4.171 4.340 0.001 0.000 0.210 28 L C 2.260 179.062 176.870 -0.114 0.000 1.072 28 L CA 2.543 57.254 54.840 -0.216 0.000 0.749 28 L CB -0.881 40.953 42.059 -0.376 0.000 0.889 28 L HN 0.547 nan 8.230 nan 0.000 0.432 29 E N -0.829 119.316 120.200 -0.092 0.000 2.339 29 E HA -0.209 4.141 4.350 0.001 0.000 0.201 29 E C 1.519 178.109 176.600 -0.016 0.000 1.015 29 E CA 1.229 57.607 56.400 -0.036 0.000 0.841 29 E CB -0.223 29.473 29.700 -0.006 0.000 0.754 29 E HN 0.685 nan 8.360 nan 0.000 0.508 30 S N -0.919 114.770 115.700 -0.019 0.000 2.554 30 S HA 0.446 4.916 4.470 0.001 0.000 0.226 30 S C 0.366 174.972 174.600 0.010 0.000 0.980 30 S CA -0.406 57.790 58.200 -0.006 0.000 0.939 30 S CB 0.913 64.111 63.200 -0.003 0.000 0.832 30 S HN 0.200 nan 8.310 nan 0.000 0.486 31 A N 1.690 124.520 122.820 0.017 0.000 2.293 31 A HA 0.603 4.923 4.320 0.001 0.000 0.302 31 A C -0.448 177.223 177.584 0.145 0.000 1.119 31 A CA -0.556 51.518 52.037 0.061 0.000 0.823 31 A CB 0.365 19.383 19.000 0.030 0.000 1.097 31 A HN 0.677 nan 8.150 nan 0.000 0.491 32 H N 1.360 120.475 119.070 0.076 0.000 2.786 32 H HA 0.462 5.019 4.556 0.001 0.000 0.284 32 H C -0.902 174.596 175.328 0.284 0.000 1.104 32 H CA -0.652 55.486 56.048 0.150 0.000 1.339 32 H CB 1.086 30.899 29.762 0.085 0.000 1.427 32 H HN 0.607 nan 8.280 nan 0.000 0.497 33 V N 5.486 125.655 119.914 0.425 0.000 2.607 33 V HA 0.276 4.396 4.120 0.001 0.000 0.289 33 V C -0.302 175.846 176.094 0.092 0.000 1.053 33 V CA -0.445 61.982 62.300 0.211 0.000 0.996 33 V CB 0.995 32.886 31.823 0.114 0.000 0.995 33 V HN 0.877 nan 8.190 nan 0.000 0.476 34 C N 8.002 127.107 119.300 -0.326 0.000 2.351 34 C HA 0.783 5.243 4.460 0.001 0.000 0.326 34 C C -0.570 174.258 174.990 -0.270 0.000 1.272 34 C CA -0.862 57.749 59.018 -0.678 0.000 1.650 34 C CB 0.301 26.899 27.740 -1.904 0.000 2.257 34 C HN 1.087 nan 8.230 nan 0.000 0.505 35 L N 7.269 128.419 121.223 -0.121 0.000 2.329 35 L HA 0.554 4.894 4.340 0.001 0.000 0.279 35 L C 0.241 177.116 176.870 0.009 0.000 1.014 35 L CA -0.217 54.593 54.840 -0.049 0.000 0.814 35 L CB 1.365 43.392 42.059 -0.053 0.000 1.257 35 L HN 0.680 nan 8.230 nan 0.000 0.424 36 I N 2.654 123.249 120.570 0.041 0.000 2.867 36 I HA 0.188 4.359 4.170 0.001 0.000 0.265 36 I C 0.006 176.180 176.117 0.094 0.000 1.162 36 I CA 0.483 61.840 61.300 0.094 0.000 1.471 36 I CB -0.796 37.278 38.000 0.123 0.000 1.123 36 I HN 0.681 nan 8.210 nan 0.000 0.440 37 N N -0.272 118.471 118.700 0.072 0.000 2.454 37 N HA 0.402 5.142 4.740 0.001 0.000 0.291 37 N C 0.012 175.554 175.510 0.053 0.000 1.079 37 N CA -0.199 52.895 53.050 0.074 0.000 0.893 37 N CB 2.023 40.558 38.487 0.080 0.000 1.512 37 N HN -0.017 nan 8.380 nan 0.000 0.497 38 A N 1.445 124.300 122.820 0.057 0.000 2.305 38 A HA 0.131 4.451 4.320 0.001 0.000 0.236 38 A C 0.467 178.082 177.584 0.051 0.000 1.392 38 A CA 0.151 52.215 52.037 0.044 0.000 1.205 38 A CB -0.972 18.063 19.000 0.058 0.000 0.881 38 A HN 0.577 nan 8.150 nan 0.000 0.558 39 T N -0.858 113.726 114.554 0.049 0.000 2.770 39 T HA 0.421 4.772 4.350 0.001 0.000 0.281 39 T C 1.956 176.696 174.700 0.066 0.000 0.981 39 T CA 0.018 62.148 62.100 0.051 0.000 0.955 39 T CB 0.812 69.704 68.868 0.040 0.000 1.060 39 T HN 0.514 nan 8.240 nan 0.000 0.531 40 A N 0.813 123.682 122.820 0.081 0.000 1.884 40 A HA -0.191 4.129 4.320 0.001 0.000 0.219 40 A C 2.421 180.043 177.584 0.063 0.000 1.197 40 A CA 2.683 54.794 52.037 0.125 0.000 0.637 40 A CB -1.830 17.261 19.000 0.153 0.000 0.827 40 A HN 0.855 nan 8.150 nan 0.000 0.450 41 T N -0.339 114.231 114.554 0.026 0.000 2.665 41 T HA -0.095 4.255 4.350 0.001 0.000 0.268 41 T C 1.950 176.650 174.700 -0.000 0.000 1.035 41 T CA 1.718 63.822 62.100 0.008 0.000 1.151 41 T CB -0.858 68.027 68.868 0.028 0.000 0.862 41 T HN 0.637 nan 8.240 nan 0.000 0.438 42 G N 0.458 109.263 108.800 0.008 0.000 2.414 42 G HA2 -0.220 3.740 3.960 0.001 0.000 0.215 42 G HA3 -0.220 3.740 3.960 0.001 0.000 0.215 42 G C 1.724 176.585 174.900 -0.065 0.000 1.188 42 G CA 1.358 46.446 45.100 -0.019 0.000 0.783 42 G HN 0.457 nan 8.290 nan 0.000 0.537 43 T N 0.302 114.836 114.554 -0.033 0.000 2.803 43 T HA -0.079 4.271 4.350 0.001 0.000 0.269 43 T C 2.291 176.908 174.700 -0.139 0.000 1.052 43 T CA 1.645 63.691 62.100 -0.092 0.000 1.136 43 T CB -0.155 68.770 68.868 0.095 0.000 0.864 43 T HN 0.246 nan 8.240 nan 0.000 0.467 44 E N 0.553 120.745 120.200 -0.014 0.000 2.112 44 E HA 0.038 4.388 4.350 0.001 0.000 0.190 44 E C 2.258 178.805 176.600 -0.088 0.000 0.979 44 E CA 0.634 57.029 56.400 -0.007 0.000 0.814 44 E CB -0.265 29.427 29.700 -0.012 0.000 0.762 44 E HN 0.563 nan 8.360 nan 0.000 0.460 45 I N 0.815 121.324 120.570 -0.101 0.000 2.179 45 I HA -0.268 3.902 4.170 0.001 0.000 0.242 45 I C 2.402 178.427 176.117 -0.153 0.000 1.088 45 I CA 0.590 61.822 61.300 -0.114 0.000 1.357 45 I CB -0.274 37.670 38.000 -0.093 0.000 1.051 45 I HN 0.093 nan 8.210 nan 0.000 0.409 46 L N 1.235 122.328 121.223 -0.217 0.000 1.971 46 L HA -0.264 4.076 4.340 0.001 0.000 0.215 46 L C 2.522 179.216 176.870 -0.294 0.000 1.072 46 L CA 1.902 56.546 54.840 -0.326 0.000 0.758 46 L CB -1.188 40.572 42.059 -0.498 0.000 0.889 46 L HN 0.202 nan 8.230 nan 0.000 0.433 47 K N -0.099 120.107 120.400 -0.323 0.000 2.163 47 K HA -0.248 4.072 4.320 0.001 0.000 0.210 47 K C 1.617 178.169 176.600 -0.080 0.000 1.048 47 K CA 1.952 58.102 56.287 -0.228 0.000 0.928 47 K CB -0.384 32.052 32.500 -0.107 0.000 0.716 47 K HN 0.535 nan 8.250 nan 0.000 0.459 48 N N 0.179 118.828 118.700 -0.084 0.000 2.422 48 N HA -0.006 4.734 4.740 0.001 0.000 0.181 48 N C 1.673 177.158 175.510 -0.041 0.000 1.080 48 N CA 0.348 53.369 53.050 -0.048 0.000 0.893 48 N CB 0.299 38.744 38.487 -0.070 0.000 0.973 48 N HN 0.245 nan 8.380 nan 0.000 0.456 49 L N -0.136 121.045 121.223 -0.070 0.000 2.316 49 L HA 0.082 4.423 4.340 0.001 0.000 0.207 49 L C 2.084 178.949 176.870 -0.008 0.000 1.070 49 L CA 0.286 55.094 54.840 -0.053 0.000 0.820 49 L CB -0.020 41.994 42.059 -0.075 0.000 0.992 49 L HN -0.127 nan 8.230 nan 0.000 0.466 50 V N 0.379 120.286 119.914 -0.012 0.000 2.270 50 V HA -0.283 3.837 4.120 0.001 0.000 0.245 50 V C 2.451 178.610 176.094 0.108 0.000 1.043 50 V CA 1.522 63.865 62.300 0.071 0.000 1.014 50 V CB -0.336 31.516 31.823 0.049 0.000 0.645 50 V HN 0.303 nan 8.190 nan 0.000 0.447 51 L N -0.099 121.181 121.223 0.096 0.000 1.997 51 L HA -0.194 4.146 4.340 0.001 0.000 0.216 51 L C 0.083 177.073 176.870 0.200 0.000 1.074 51 L CA 2.234 57.163 54.840 0.147 0.000 0.763 51 L CB -1.713 40.417 42.059 0.118 0.000 0.890 51 L HN 0.383 nan 8.230 nan 0.000 0.434 52 P HA -0.042 nan 4.420 nan 0.000 0.226 52 P C 0.413 177.617 177.300 -0.159 0.000 1.153 52 P CA 1.376 64.510 63.100 0.056 0.000 0.777 52 P CB 0.148 31.927 31.700 0.132 0.000 0.794 53 G N -0.720 108.084 108.800 0.006 0.000 2.427 53 G HA2 -0.184 3.777 3.960 0.001 0.000 0.193 53 G HA3 -0.184 3.777 3.960 0.001 0.000 0.193 53 G C -0.251 174.643 174.900 -0.011 0.000 1.086 53 G CA -0.767 44.343 45.100 0.017 0.000 0.818 53 G HN 0.233 nan 8.290 nan 0.000 0.490 54 I N 1.586 122.169 120.570 0.023 0.000 2.710 54 I HA 0.466 4.637 4.170 0.001 0.000 0.286 54 I C 1.861 178.012 176.117 0.057 0.000 1.181 54 I CA 1.257 62.572 61.300 0.026 0.000 1.430 54 I CB 0.784 38.825 38.000 0.068 0.000 1.367 54 I HN 0.364 nan 8.210 nan 0.000 0.577 55 G N 5.308 114.124 108.800 0.026 0.000 2.764 55 G HA2 -0.206 3.755 3.960 0.001 0.000 0.219 55 G HA3 -0.206 3.755 3.960 0.001 0.000 0.219 55 G C 0.332 175.221 174.900 -0.019 0.000 1.259 55 G CA 1.283 46.387 45.100 0.006 0.000 0.793 55 G HN 0.845 nan 8.290 nan 0.000 0.633 56 S N -1.636 114.043 115.700 -0.035 0.000 2.671 56 S HA 0.716 5.187 4.470 0.001 0.000 0.277 56 S C -1.011 173.663 174.600 0.125 0.000 1.165 56 S CA -0.623 57.474 58.200 -0.172 0.000 0.822 56 S CB 2.288 65.147 63.200 -0.568 0.000 1.150 56 S HN 1.268 nan 8.310 nan 0.000 0.479 57 F N -1.740 118.265 119.950 0.092 0.000 2.654 57 F HA 0.847 5.375 4.527 0.000 0.000 0.308 57 F C -1.344 174.708 175.800 0.421 0.000 1.108 57 F CA -0.706 57.500 58.000 0.343 0.000 0.957 57 F CB 1.336 40.432 39.000 0.160 0.000 1.309 57 F HN 0.581 nan 8.300 nan 0.000 0.446 58 T N 4.013 119.005 114.554 0.730 0.000 2.848 58 T HA 0.614 4.964 4.350 0.001 0.000 0.285 58 T C -0.650 174.292 174.700 0.404 0.000 0.995 58 T CA -0.400 62.023 62.100 0.540 0.000 0.970 58 T CB 1.365 70.552 68.868 0.532 0.000 0.976 58 T HN 0.611 nan 8.240 nan 0.000 0.441 59 I N 4.267 125.091 120.570 0.423 0.000 2.371 59 I HA 0.391 4.561 4.170 0.001 0.000 0.282 59 I C -0.167 176.104 176.117 0.255 0.000 1.031 59 I CA -0.605 60.871 61.300 0.293 0.000 1.180 59 I CB 0.794 38.976 38.000 0.304 0.000 1.336 59 I HN 0.454 nan 8.210 nan 0.000 0.467 60 I N 5.802 126.480 120.570 0.180 0.000 2.428 60 I HA 0.328 4.498 4.170 0.001 0.000 0.289 60 I C -0.233 175.975 176.117 0.152 0.000 1.019 60 I CA 0.265 61.663 61.300 0.164 0.000 1.351 60 I CB 0.947 39.037 38.000 0.150 0.000 1.412 60 I HN 0.543 nan 8.210 nan 0.000 0.513 61 D N 3.560 124.048 120.400 0.148 0.000 2.687 61 D HA 0.163 4.804 4.640 0.001 0.000 0.213 61 D C -0.312 176.061 176.300 0.122 0.000 1.218 61 D CA -0.350 53.728 54.000 0.130 0.000 0.768 61 D CB 1.786 42.663 40.800 0.128 0.000 1.855 61 D HN 0.647 nan 8.370 nan 0.000 0.508 62 G N 2.263 111.124 108.800 0.103 0.000 3.690 62 G HA2 0.135 4.096 3.960 0.001 0.000 0.283 62 G HA3 0.135 4.096 3.960 0.001 0.000 0.283 62 G C 0.221 175.171 174.900 0.083 0.000 1.057 62 G CA -0.252 44.902 45.100 0.090 0.000 0.821 62 G HN 0.270 nan 8.290 nan 0.000 0.526 63 N N 0.421 119.172 118.700 0.085 0.000 2.485 63 N HA 0.380 5.120 4.740 0.001 0.000 0.280 63 N C -0.483 175.067 175.510 0.067 0.000 1.205 63 N CA -0.245 52.849 53.050 0.074 0.000 0.959 63 N CB 1.230 39.761 38.487 0.073 0.000 1.206 63 N HN 0.135 nan 8.380 nan 0.000 0.545 64 Q N 0.451 120.285 119.800 0.057 0.000 2.333 64 Q HA 0.383 4.723 4.340 0.001 0.000 0.267 64 Q C -0.599 175.424 176.000 0.040 0.000 1.012 64 Q CA -0.840 54.992 55.803 0.048 0.000 0.824 64 Q CB 2.338 31.102 28.738 0.044 0.000 1.290 64 Q HN 0.274 nan 8.270 nan 0.000 0.449 65 V N 2.779 122.713 119.914 0.033 0.000 2.584 65 V HA -0.065 4.055 4.120 0.001 0.000 0.303 65 V C 0.638 176.742 176.094 0.017 0.000 1.035 65 V CA 0.506 62.818 62.300 0.021 0.000 1.172 65 V CB -0.057 31.771 31.823 0.009 0.000 0.896 65 V HN 0.888 nan 8.190 nan 0.000 0.486 66 S N 3.820 119.529 115.700 0.014 0.000 2.745 66 S HA 0.612 5.082 4.470 0.001 0.000 0.292 66 S C 1.383 175.984 174.600 0.001 0.000 1.133 66 S CA -0.159 58.048 58.200 0.012 0.000 0.998 66 S CB 1.534 64.745 63.200 0.018 0.000 1.087 66 S HN 0.877 nan 8.310 nan 0.000 0.551 67 G N 0.839 109.639 108.800 0.000 0.000 2.476 67 G HA2 -0.252 3.709 3.960 0.001 0.000 0.218 67 G HA3 -0.252 3.709 3.960 0.001 0.000 0.218 67 G C 1.241 176.132 174.900 -0.015 0.000 1.164 67 G CA 1.126 46.221 45.100 -0.008 0.000 0.768 67 G HN 0.964 nan 8.290 nan 0.000 0.560 68 E N 0.170 120.364 120.200 -0.011 0.000 2.208 68 E HA -0.068 4.282 4.350 0.001 0.000 0.193 68 E C 1.469 178.059 176.600 -0.016 0.000 0.988 68 E CA 1.026 57.416 56.400 -0.017 0.000 0.828 68 E CB -0.212 29.478 29.700 -0.017 0.000 0.763 68 E HN 0.253 nan 8.360 nan 0.000 0.478 69 D N 1.500 121.894 120.400 -0.010 0.000 2.178 69 D HA -0.088 4.552 4.640 0.001 0.000 0.201 69 D C 1.855 178.140 176.300 -0.025 0.000 0.980 69 D CA 1.567 55.563 54.000 -0.007 0.000 0.842 69 D CB -0.015 40.787 40.800 0.003 0.000 0.948 69 D HN 0.371 nan 8.370 nan 0.000 0.472 70 A N 0.354 123.149 122.820 -0.042 0.000 2.132 70 A HA 0.203 4.524 4.320 0.001 0.000 0.213 70 A C 2.116 179.650 177.584 -0.082 0.000 1.154 70 A CA 1.047 53.038 52.037 -0.078 0.000 0.753 70 A CB -0.167 18.787 19.000 -0.078 0.000 0.826 70 A HN 0.240 nan 8.150 nan 0.000 0.469 71 G N 0.212 108.978 108.800 -0.057 0.000 3.088 71 G HA2 0.105 4.065 3.960 0.001 0.000 0.212 71 G HA3 0.105 4.065 3.960 0.001 0.000 0.212 71 G C 0.589 175.455 174.900 -0.057 0.000 1.173 71 G CA 0.695 45.761 45.100 -0.057 0.000 0.779 71 G HN 0.832 nan 8.290 nan 0.000 0.540 72 N N -2.129 116.543 118.700 -0.047 0.000 1.986 72 N HA 0.023 4.763 4.740 0.001 0.000 0.227 72 N C -0.366 175.156 175.510 0.021 0.000 1.387 72 N CA -0.504 52.533 53.050 -0.022 0.000 0.810 72 N CB 0.254 38.764 38.487 0.038 0.000 1.140 72 N HN -0.018 nan 8.380 nan 0.000 0.504 73 N N 0.657 119.355 118.700 -0.002 0.000 2.408 73 N HA 0.148 4.889 4.740 0.001 0.000 0.280 73 N C -0.901 174.595 175.510 -0.023 0.000 1.002 73 N CA -0.527 52.567 53.050 0.074 0.000 0.907 73 N CB 1.058 39.582 38.487 0.061 0.000 1.161 73 N HN 0.121 nan 8.380 nan 0.000 0.488 74 F N 2.976 122.821 119.950 -0.174 0.000 2.811 74 F HA 0.290 4.817 4.527 0.000 0.000 0.301 74 F C -0.047 175.224 175.800 -0.880 0.000 1.151 74 F CA 0.143 57.838 58.000 -0.508 0.000 1.412 74 F CB -0.000 38.677 39.000 -0.539 0.000 1.113 74 F HN 0.398 nan 8.300 nan 0.000 0.579 75 F N 1.075 120.927 119.950 -0.163 0.000 2.881 75 F HA 0.402 4.929 4.527 0.000 0.000 0.343 75 F C -0.868 174.550 175.800 -0.638 0.000 1.233 75 F CA -0.284 57.520 58.000 -0.327 0.000 1.262 75 F CB 0.273 39.258 39.000 -0.024 0.000 0.980 75 F HN -0.333 nan 8.300 nan 0.000 0.506 76 L N 0.751 121.539 121.223 -0.725 0.000 2.676 76 L HA 0.304 4.644 4.340 0.001 0.000 0.262 76 L C -0.587 175.935 176.870 -0.580 0.000 0.965 76 L CA -0.512 53.941 54.840 -0.645 0.000 0.920 76 L CB 1.808 43.725 42.059 -0.237 0.000 1.260 76 L HN 0.105 nan 8.230 nan 0.000 0.422 77 Q N 1.285 120.725 119.800 -0.600 0.000 2.237 77 Q HA 0.347 4.687 4.340 0.001 0.000 0.219 77 Q C 0.933 176.859 176.000 -0.123 0.000 0.999 77 Q CA -0.537 55.101 55.803 -0.274 0.000 0.959 77 Q CB 1.982 30.666 28.738 -0.090 0.000 1.173 77 Q HN 0.466 nan 8.270 nan 0.000 0.527 78 R N 0.445 120.898 120.500 -0.078 0.000 2.117 78 R HA -0.193 4.147 4.340 0.001 0.000 0.243 78 R C 2.031 178.324 176.300 -0.011 0.000 1.143 78 R CA 2.073 58.148 56.100 -0.042 0.000 0.968 78 R CB -0.248 30.032 30.300 -0.033 0.000 0.863 78 R HN 0.775 nan 8.270 nan 0.000 0.444 79 S N -0.318 115.389 115.700 0.013 0.000 2.440 79 S HA -0.153 4.317 4.470 0.001 0.000 0.240 79 S C 1.632 176.264 174.600 0.054 0.000 1.014 79 S CA 1.421 59.645 58.200 0.041 0.000 0.980 79 S CB -0.234 63.010 63.200 0.073 0.000 0.775 79 S HN 0.499 nan 8.310 nan 0.000 0.499 80 S N 0.220 115.951 115.700 0.051 0.000 2.557 80 S HA 0.408 4.879 4.470 0.001 0.000 0.223 80 S C 0.396 175.011 174.600 0.025 0.000 0.969 80 S CA -0.718 57.517 58.200 0.058 0.000 0.927 80 S CB -0.590 62.673 63.200 0.105 0.000 0.806 80 S HN 0.500 nan 8.310 nan 0.000 0.489 81 I N 2.741 123.317 120.570 0.009 0.000 2.668 81 I HA 0.295 4.465 4.170 0.001 0.000 0.285 81 I C 1.576 177.704 176.117 0.017 0.000 1.168 81 I CA 1.298 62.602 61.300 0.007 0.000 1.424 81 I CB 0.136 38.137 38.000 0.002 0.000 1.377 81 I HN 0.552 nan 8.210 nan 0.000 0.560 82 G N 5.768 114.580 108.800 0.021 0.000 3.211 82 G HA2 -0.233 3.727 3.960 0.001 0.000 0.206 82 G HA3 -0.233 3.727 3.960 0.001 0.000 0.206 82 G C 0.306 175.224 174.900 0.031 0.000 1.418 82 G CA -0.514 44.602 45.100 0.026 0.000 0.958 82 G HN 0.535 nan 8.290 nan 0.000 0.567 83 K N 1.770 122.188 120.400 0.030 0.000 2.561 83 K HA 0.091 4.411 4.320 0.001 0.000 0.280 83 K C 0.592 177.211 176.600 0.032 0.000 0.975 83 K CA 0.153 56.457 56.287 0.029 0.000 1.024 83 K CB 0.170 32.686 32.500 0.026 0.000 0.883 83 K HN 0.429 nan 8.250 nan 0.000 0.496 84 N N 2.578 121.301 118.700 0.038 0.000 2.294 84 N HA -0.135 4.606 4.740 0.001 0.000 0.263 84 N C 0.947 176.480 175.510 0.038 0.000 1.281 84 N CA 0.579 53.661 53.050 0.054 0.000 0.846 84 N CB 0.557 39.100 38.487 0.093 0.000 1.061 84 N HN 0.516 nan 8.380 nan 0.000 0.478 85 R N 3.455 123.987 120.500 0.053 0.000 2.211 85 R HA -0.200 4.140 4.340 0.001 0.000 0.240 85 R C 1.437 177.772 176.300 0.058 0.000 1.144 85 R CA 1.684 57.815 56.100 0.051 0.000 0.992 85 R CB -0.134 30.201 30.300 0.057 0.000 0.869 85 R HN 0.697 nan 8.270 nan 0.000 0.462 86 A N 1.113 123.980 122.820 0.078 0.000 1.823 86 A HA -0.200 4.120 4.320 0.001 0.000 0.214 86 A C 1.993 179.550 177.584 -0.046 0.000 1.225 86 A CA 1.362 53.467 52.037 0.114 0.000 0.604 86 A CB -0.830 18.327 19.000 0.263 0.000 0.878 86 A HN 0.544 nan 8.150 nan 0.000 0.450 87 E N 0.008 120.014 120.200 -0.324 0.000 2.114 87 E HA -0.236 4.114 4.350 0.001 0.000 0.199 87 E C 2.111 178.523 176.600 -0.313 0.000 1.008 87 E CA 1.469 57.350 56.400 -0.865 0.000 0.810 87 E CB -0.324 28.848 29.700 -0.880 0.000 0.739 87 E HN 0.497 nan 8.360 nan 0.000 0.456 88 A N 1.444 124.204 122.820 -0.100 0.000 1.859 88 A HA -0.224 4.097 4.320 0.001 0.000 0.217 88 A C 2.514 180.219 177.584 0.203 0.000 1.198 88 A CA 2.667 54.746 52.037 0.070 0.000 0.629 88 A CB -1.244 17.801 19.000 0.075 0.000 0.830 88 A HN 0.482 nan 8.150 nan 0.000 0.446 89 A N -1.135 121.772 122.820 0.145 0.000 1.908 89 A HA -0.203 4.117 4.320 0.001 0.000 0.218 89 A C 2.287 180.022 177.584 0.253 0.000 1.181 89 A CA 2.083 54.242 52.037 0.203 0.000 0.627 89 A CB -0.602 18.467 19.000 0.116 0.000 0.818 89 A HN 0.600 nan 8.150 nan 0.000 0.445 90 M N -0.482 119.228 119.600 0.183 0.000 2.088 90 M HA -0.265 4.215 4.480 0.001 0.000 0.256 90 M C 2.105 178.539 176.300 0.224 0.000 1.071 90 M CA 2.371 57.822 55.300 0.251 0.000 1.097 90 M CB -0.502 32.191 32.600 0.156 0.000 1.315 90 M HN 0.593 nan 8.290 nan 0.000 0.406 91 E N -0.334 119.937 120.200 0.118 0.000 2.033 91 E HA -0.245 4.105 4.350 0.001 0.000 0.199 91 E C 1.710 178.324 176.600 0.023 0.000 1.011 91 E CA 2.006 58.403 56.400 -0.005 0.000 0.815 91 E CB -0.477 29.109 29.700 -0.190 0.000 0.755 91 E HN 0.518 nan 8.360 nan 0.000 0.451 92 F N 0.750 120.779 119.950 0.132 0.000 2.216 92 F HA -0.116 4.411 4.527 0.000 0.000 0.300 92 F C 2.251 178.254 175.800 0.338 0.000 1.085 92 F CA 0.781 58.907 58.000 0.209 0.000 1.326 92 F CB -0.303 38.835 39.000 0.230 0.000 1.027 92 F HN -0.033 nan 8.300 nan 0.000 0.497 93 L N -0.661 120.823 121.223 0.436 0.000 2.156 93 L HA -0.168 4.172 4.340 0.001 0.000 0.208 93 L C 2.535 179.557 176.870 0.253 0.000 1.095 93 L CA 0.774 55.722 54.840 0.180 0.000 0.770 93 L CB -0.500 41.522 42.059 -0.063 0.000 0.914 93 L HN 0.103 nan 8.230 nan 0.000 0.439 94 Q N 0.878 120.841 119.800 0.273 0.000 2.112 94 Q HA -0.264 4.076 4.340 0.001 0.000 0.206 94 Q C 1.895 177.988 176.000 0.156 0.000 0.987 94 Q CA 1.847 57.774 55.803 0.207 0.000 0.858 94 Q CB -0.101 28.707 28.738 0.116 0.000 0.905 94 Q HN 0.435 nan 8.270 nan 0.000 0.420 95 E N -0.354 119.931 120.200 0.143 0.000 2.209 95 E HA -0.188 4.162 4.350 0.001 0.000 0.196 95 E C 1.912 178.598 176.600 0.142 0.000 0.993 95 E CA 1.125 57.595 56.400 0.117 0.000 0.819 95 E CB -0.229 29.533 29.700 0.103 0.000 0.745 95 E HN 0.418 nan 8.360 nan 0.000 0.477 96 L N 0.208 121.546 121.223 0.192 0.000 2.083 96 L HA -0.095 4.245 4.340 0.001 0.000 0.209 96 L C 1.187 178.147 176.870 0.150 0.000 1.083 96 L CA 0.633 55.586 54.840 0.187 0.000 0.752 96 L CB -0.267 41.917 42.059 0.207 0.000 0.899 96 L HN 0.093 nan 8.230 nan 0.000 0.433 97 N N -1.414 117.374 118.700 0.147 0.000 2.406 97 N HA 0.073 4.813 4.740 0.001 0.000 0.283 97 N C 0.320 175.895 175.510 0.107 0.000 1.074 97 N CA 0.214 53.343 53.050 0.133 0.000 0.916 97 N CB 1.917 40.505 38.487 0.169 0.000 1.639 97 N HN -0.111 nan 8.380 nan 0.000 0.485 98 S N 1.085 116.831 115.700 0.077 0.000 2.501 98 S HA 0.032 4.503 4.470 0.001 0.000 0.220 98 S C 0.594 175.223 174.600 0.049 0.000 0.997 98 S CA 0.478 58.709 58.200 0.052 0.000 0.919 98 S CB 0.250 63.470 63.200 0.034 0.000 0.778 98 S HN 0.461 nan 8.310 nan 0.000 0.523 99 D N 1.567 122.011 120.400 0.074 0.000 2.363 99 D HA 0.158 4.798 4.640 0.001 0.000 0.220 99 D C 0.151 176.491 176.300 0.068 0.000 0.994 99 D CA 0.272 54.319 54.000 0.078 0.000 0.890 99 D CB 0.144 41.021 40.800 0.128 0.000 0.906 99 D HN 0.274 nan 8.370 nan 0.000 0.530 100 V N 0.916 120.875 119.914 0.075 0.000 2.481 100 V HA 0.236 4.356 4.120 0.001 0.000 0.286 100 V C 0.308 176.382 176.094 -0.034 0.000 1.042 100 V CA -0.685 61.650 62.300 0.059 0.000 0.928 100 V CB 1.899 33.818 31.823 0.159 0.000 0.986 100 V HN -0.102 nan 8.190 nan 0.000 0.462 101 S N 3.242 118.867 115.700 -0.125 0.000 2.404 101 S HA 0.542 5.012 4.470 0.001 0.000 0.309 101 S C 0.452 174.769 174.600 -0.472 0.000 1.076 101 S CA -0.472 57.592 58.200 -0.226 0.000 1.095 101 S CB 1.065 64.139 63.200 -0.209 0.000 0.972 101 S HN 1.033 nan 8.310 nan 0.000 0.484 102 G N 2.104 110.585 108.800 -0.533 0.000 2.420 102 G HA2 0.581 4.541 3.960 0.001 0.000 0.284 102 G HA3 0.581 4.541 3.960 0.001 0.000 0.284 102 G C -0.636 174.037 174.900 -0.378 0.000 1.177 102 G CA -0.512 44.039 45.100 -0.915 0.000 0.841 102 G HN 0.637 nan 8.290 nan 0.000 0.527 103 S N -0.509 115.049 115.700 -0.235 0.000 2.537 103 S HA 0.720 5.190 4.470 0.001 0.000 0.270 103 S C -1.055 173.732 174.600 0.310 0.000 1.142 103 S CA -0.721 57.532 58.200 0.089 0.000 0.870 103 S CB 1.571 64.825 63.200 0.091 0.000 1.112 103 S HN 1.039 nan 8.310 nan 0.000 0.466 104 F N -0.880 119.139 119.950 0.115 0.000 2.643 104 F HA 0.950 5.477 4.527 0.000 0.000 0.314 104 F C -1.853 174.014 175.800 0.111 0.000 1.096 104 F CA -1.173 56.914 58.000 0.145 0.000 0.953 104 F CB 1.197 40.278 39.000 0.135 0.000 1.345 104 F HN 0.371 nan 8.300 nan 0.000 0.468 105 V N 1.838 121.793 119.914 0.068 0.000 2.567 105 V HA 0.242 4.362 4.120 0.001 0.000 0.298 105 V C -0.106 176.046 176.094 0.096 0.000 1.047 105 V CA -0.539 61.711 62.300 -0.084 0.000 0.880 105 V CB 1.394 33.171 31.823 -0.077 0.000 1.009 105 V HN 0.950 nan 8.190 nan 0.000 0.429 106 E N 1.897 122.147 120.200 0.084 0.000 2.511 106 E HA 0.004 4.354 4.350 0.001 0.000 0.196 106 E C 0.173 176.818 176.600 0.075 0.000 1.066 106 E CA 0.233 56.727 56.400 0.157 0.000 0.871 106 E CB 0.379 30.188 29.700 0.181 0.000 0.863 106 E HN 0.745 nan 8.360 nan 0.000 0.520 107 E N 1.218 121.425 120.200 0.012 0.000 2.338 107 E HA 0.128 4.479 4.350 0.001 0.000 0.272 107 E C -0.201 176.419 176.600 0.033 0.000 1.029 107 E CA -0.316 56.083 56.400 -0.003 0.000 0.872 107 E CB 1.304 30.960 29.700 -0.073 0.000 1.015 107 E HN -0.093 nan 8.360 nan 0.000 0.417 108 S N 3.280 119.011 115.700 0.051 0.000 2.580 108 S HA 0.021 4.491 4.470 0.001 0.000 0.266 108 S C -1.258 173.402 174.600 0.100 0.000 1.354 108 S CA -1.168 57.079 58.200 0.078 0.000 1.008 108 S CB 0.488 63.733 63.200 0.074 0.000 0.898 108 S HN 0.409 nan 8.310 nan 0.000 0.555 109 P HA -0.072 nan 4.420 nan 0.000 0.217 109 P C 1.070 178.479 177.300 0.183 0.000 1.151 109 P CA 0.917 64.137 63.100 0.199 0.000 0.828 109 P CB 0.061 31.874 31.700 0.189 0.000 0.788 110 E N 0.079 120.353 120.200 0.123 0.000 2.047 110 E HA -0.159 4.191 4.350 0.001 0.000 0.191 110 E C 2.052 178.708 176.600 0.093 0.000 0.987 110 E CA 0.638 57.097 56.400 0.098 0.000 0.799 110 E CB -0.947 28.797 29.700 0.072 0.000 0.752 110 E HN 0.250 nan 8.360 nan 0.000 0.449 111 N N 1.059 119.805 118.700 0.077 0.000 2.137 111 N HA -0.176 4.565 4.740 0.001 0.000 0.190 111 N C 2.002 177.544 175.510 0.054 0.000 1.017 111 N CA 0.926 54.008 53.050 0.053 0.000 0.859 111 N CB -0.150 38.357 38.487 0.034 0.000 1.002 111 N HN 0.174 nan 8.380 nan 0.000 0.428 112 L N 0.539 121.810 121.223 0.079 0.000 2.156 112 L HA -0.026 4.314 4.340 0.001 0.000 0.208 112 L C 2.340 179.324 176.870 0.190 0.000 1.095 112 L CA 0.314 55.203 54.840 0.081 0.000 0.770 112 L CB -0.222 41.872 42.059 0.058 0.000 0.914 112 L HN 0.166 nan 8.230 nan 0.000 0.439 113 L N -0.628 120.725 121.223 0.217 0.000 2.275 113 L HA -0.177 4.163 4.340 0.001 0.000 0.215 113 L C 1.870 178.813 176.870 0.123 0.000 1.119 113 L CA 0.831 55.785 54.840 0.192 0.000 0.790 113 L CB -0.359 41.779 42.059 0.132 0.000 0.919 113 L HN 0.341 nan 8.230 nan 0.000 0.443 114 D N -0.603 119.852 120.400 0.093 0.000 2.394 114 D HA -0.077 4.563 4.640 0.001 0.000 0.237 114 D C 1.769 178.105 176.300 0.059 0.000 1.028 114 D CA 0.585 54.623 54.000 0.064 0.000 0.937 114 D CB -0.227 40.601 40.800 0.047 0.000 1.072 114 D HN 0.173 nan 8.370 nan 0.000 0.457 115 N N 0.792 119.518 118.700 0.043 0.000 2.061 115 N HA -0.140 4.600 4.740 0.001 0.000 0.193 115 N C 0.273 175.804 175.510 0.034 0.000 1.030 115 N CA 1.153 54.217 53.050 0.024 0.000 0.856 115 N CB 0.109 38.593 38.487 -0.005 0.000 1.023 115 N HN 0.205 nan 8.380 nan 0.000 0.424 116 D N -1.238 119.196 120.400 0.056 0.000 2.472 116 D HA 0.214 4.855 4.640 0.001 0.000 0.248 116 D C -2.147 174.274 176.300 0.202 0.000 1.271 116 D CA -1.626 52.430 54.000 0.093 0.000 0.888 116 D CB 1.273 42.098 40.800 0.042 0.000 1.337 116 D HN -0.103 nan 8.370 nan 0.000 0.526 117 P HA -0.123 nan 4.420 nan 0.000 0.215 117 P C 1.267 178.774 177.300 0.345 0.000 1.153 117 P CA 1.026 64.286 63.100 0.266 0.000 0.853 117 P CB 0.166 31.962 31.700 0.160 0.000 0.788 118 S N -1.993 113.855 115.700 0.248 0.000 2.727 118 S HA -0.062 4.409 4.470 0.001 0.000 0.226 118 S C 1.514 176.262 174.600 0.246 0.000 0.963 118 S CA -0.156 58.173 58.200 0.216 0.000 0.950 118 S CB -1.611 61.665 63.200 0.128 0.000 0.779 118 S HN 0.014 nan 8.310 nan 0.000 0.532 119 F N 2.502 122.539 119.950 0.146 0.000 2.146 119 F HA 0.105 4.632 4.527 0.001 0.000 0.298 119 F C 1.122 176.916 175.800 -0.010 0.000 1.096 119 F CA 0.448 58.438 58.000 -0.017 0.000 1.275 119 F CB -0.545 38.353 39.000 -0.169 0.000 1.008 119 F HN 0.243 nan 8.300 nan 0.000 0.480 120 F N -0.371 119.592 119.950 0.023 0.000 2.771 120 F HA -0.009 4.518 4.527 0.000 0.000 0.299 120 F C 2.167 177.965 175.800 -0.003 0.000 1.177 120 F CA 0.142 58.188 58.000 0.076 0.000 1.450 120 F CB -1.644 37.453 39.000 0.161 0.000 1.114 120 F HN -0.002 nan 8.300 nan 0.000 0.587 121 C N 0.303 119.640 119.300 0.061 0.000 2.539 121 C HA -0.042 4.418 4.460 0.001 0.000 0.271 121 C C 2.508 177.418 174.990 -0.132 0.000 1.412 121 C CA 0.263 59.281 59.018 -0.000 0.000 1.729 121 C CB -1.688 26.058 27.740 0.011 0.000 1.739 121 C HN 0.537 nan 8.230 nan 0.000 0.570 122 R N -0.333 119.948 120.500 -0.364 0.000 2.223 122 R HA 0.172 4.512 4.340 0.001 0.000 0.198 122 R C 0.001 175.961 176.300 -0.568 0.000 0.984 122 R CA 0.316 56.100 56.100 -0.527 0.000 1.018 122 R CB -0.342 29.478 30.300 -0.800 0.000 0.945 122 R HN 0.332 nan 8.270 nan 0.000 0.479 123 F N 1.430 121.252 119.950 -0.214 0.000 2.375 123 F HA 0.250 4.777 4.527 0.000 0.000 0.333 123 F C 1.450 177.208 175.800 -0.070 0.000 1.104 123 F CA -0.539 57.356 58.000 -0.175 0.000 1.149 123 F CB 1.515 40.404 39.000 -0.185 0.000 1.190 123 F HN -0.178 nan 8.300 nan 0.000 0.533 124 T N 0.439 115.095 114.554 0.170 0.000 2.942 124 T HA 0.095 4.446 4.350 0.001 0.000 0.265 124 T C 0.262 175.013 174.700 0.085 0.000 1.062 124 T CA 0.727 62.886 62.100 0.098 0.000 1.139 124 T CB 0.003 68.924 68.868 0.088 0.000 0.883 124 T HN 0.260 nan 8.240 nan 0.000 0.468 125 V N 0.794 120.770 119.914 0.103 0.000 3.000 125 V HA 0.417 4.537 4.120 0.001 0.000 0.300 125 V C -1.197 174.902 176.094 0.008 0.000 1.251 125 V CA -1.101 61.225 62.300 0.045 0.000 0.972 125 V CB 2.711 34.540 31.823 0.010 0.000 1.065 125 V HN -0.045 nan 8.190 nan 0.000 0.431 126 V N 4.075 123.986 119.914 -0.005 0.000 2.384 126 V HA 0.511 4.631 4.120 0.001 0.000 0.287 126 V C -0.369 175.709 176.094 -0.027 0.000 1.020 126 V CA -0.564 61.710 62.300 -0.045 0.000 0.850 126 V CB 1.853 33.676 31.823 0.001 0.000 0.987 126 V HN 0.603 nan 8.190 nan 0.000 0.436 127 V N 4.761 124.651 119.914 -0.041 0.000 2.347 127 V HA 0.765 4.885 4.120 0.001 0.000 0.280 127 V C 0.379 176.479 176.094 0.009 0.000 1.021 127 V CA -0.363 61.930 62.300 -0.011 0.000 0.847 127 V CB 1.553 33.359 31.823 -0.028 0.000 0.990 127 V HN 0.955 nan 8.190 nan 0.000 0.444 128 A N 3.981 126.825 122.820 0.039 0.000 2.318 128 A HA 0.902 5.222 4.320 0.001 0.000 0.324 128 A C 0.081 177.714 177.584 0.081 0.000 1.170 128 A CA -0.398 51.675 52.037 0.061 0.000 0.810 128 A CB 1.439 20.477 19.000 0.063 0.000 1.198 128 A HN 0.887 nan 8.150 nan 0.000 0.484 129 T N 0.006 114.608 114.554 0.080 0.000 2.893 129 T HA 0.529 4.880 4.350 0.001 0.000 0.291 129 T C -0.559 174.198 174.700 0.094 0.000 1.028 129 T CA -0.558 61.596 62.100 0.090 0.000 0.995 129 T CB 1.398 70.305 68.868 0.065 0.000 1.051 129 T HN 0.874 nan 8.240 nan 0.000 0.470 130 Q N 0.931 120.793 119.800 0.103 0.000 2.451 130 Q HA -0.136 4.205 4.340 0.001 0.000 0.305 130 Q C -0.579 175.494 176.000 0.121 0.000 1.345 130 Q CA 0.593 56.452 55.803 0.094 0.000 0.854 130 Q CB -2.346 26.429 28.738 0.061 0.000 1.162 130 Q HN 0.783 nan 8.270 nan 0.000 0.440 131 L N 1.309 122.612 121.223 0.132 0.000 2.334 131 L HA 0.588 4.929 4.340 0.001 0.000 0.275 131 L C -1.506 175.470 176.870 0.176 0.000 1.036 131 L CA -1.913 53.013 54.840 0.144 0.000 0.807 131 L CB 1.101 43.227 42.059 0.112 0.000 1.231 131 L HN -0.050 nan 8.230 nan 0.000 0.438 132 P HA 0.217 nan 4.420 nan 0.000 0.282 132 P C 0.055 177.447 177.300 0.153 0.000 1.259 132 P CA -0.576 62.693 63.100 0.282 0.000 0.826 132 P CB 1.517 33.462 31.700 0.409 0.000 1.064 133 E N 0.748 121.030 120.200 0.137 0.000 2.119 133 E HA -0.305 4.045 4.350 0.001 0.000 0.221 133 E C 2.015 178.630 176.600 0.025 0.000 1.062 133 E CA 2.907 59.353 56.400 0.077 0.000 0.894 133 E CB -0.637 29.133 29.700 0.116 0.000 0.785 133 E HN 0.646 nan 8.360 nan 0.000 0.472 134 S N 0.425 116.139 115.700 0.023 0.000 2.414 134 S HA -0.293 4.178 4.470 0.001 0.000 0.238 134 S C 2.155 176.755 174.600 0.001 0.000 1.055 134 S CA 2.416 60.617 58.200 0.003 0.000 1.174 134 S CB -1.307 61.886 63.200 -0.012 0.000 1.087 134 S HN 0.241 nan 8.310 nan 0.000 0.428 135 T N 1.348 115.915 114.554 0.022 0.000 2.833 135 T HA -0.025 4.325 4.350 0.001 0.000 0.269 135 T C 2.118 176.821 174.700 0.005 0.000 1.054 135 T CA 1.323 63.437 62.100 0.025 0.000 1.135 135 T CB -0.668 68.234 68.868 0.057 0.000 0.869 135 T HN 0.514 nan 8.240 nan 0.000 0.466 136 S N 0.381 116.085 115.700 0.006 0.000 2.382 136 S HA 0.048 4.519 4.470 0.001 0.000 0.228 136 S C 1.872 176.424 174.600 -0.080 0.000 1.027 136 S CA 0.760 58.950 58.200 -0.016 0.000 0.991 136 S CB -0.316 62.881 63.200 -0.005 0.000 0.823 136 S HN 0.380 nan 8.310 nan 0.000 0.469 137 L N 0.446 121.603 121.223 -0.110 0.000 2.034 137 L HA 0.051 4.392 4.340 0.001 0.000 0.203 137 L C 2.755 179.575 176.870 -0.083 0.000 1.074 137 L CA 1.213 55.965 54.840 -0.147 0.000 0.748 137 L CB -0.487 41.484 42.059 -0.147 0.000 0.905 137 L HN 0.223 nan 8.230 nan 0.000 0.439 138 R N 0.022 120.493 120.500 -0.050 0.000 2.119 138 R HA -0.261 4.080 4.340 0.001 0.000 0.246 138 R C 2.293 178.565 176.300 -0.046 0.000 1.146 138 R CA 1.906 57.987 56.100 -0.031 0.000 0.962 138 R CB -0.361 29.932 30.300 -0.011 0.000 0.863 138 R HN 0.181 nan 8.270 nan 0.000 0.442 139 L N 0.353 121.535 121.223 -0.070 0.000 1.994 139 L HA -0.082 4.259 4.340 0.001 0.000 0.208 139 L C 2.299 179.108 176.870 -0.102 0.000 1.071 139 L CA 2.245 57.005 54.840 -0.134 0.000 0.745 139 L CB -0.825 41.144 42.059 -0.149 0.000 0.892 139 L HN 0.232 nan 8.230 nan 0.000 0.431 140 A N -0.612 122.172 122.820 -0.060 0.000 1.892 140 A HA -0.354 3.966 4.320 0.001 0.000 0.218 140 A C 2.100 179.717 177.584 0.055 0.000 1.188 140 A CA 2.290 54.323 52.037 -0.007 0.000 0.631 140 A CB -1.256 17.722 19.000 -0.037 0.000 0.822 140 A HN 0.651 nan 8.150 nan 0.000 0.447 141 D N -0.762 119.649 120.400 0.017 0.000 2.097 141 D HA -0.116 4.524 4.640 0.001 0.000 0.195 141 D C 1.772 178.134 176.300 0.102 0.000 0.989 141 D CA 1.615 55.653 54.000 0.063 0.000 0.827 141 D CB -0.139 40.669 40.800 0.013 0.000 0.966 141 D HN 0.154 nan 8.370 nan 0.000 0.456 142 V N 0.436 120.369 119.914 0.032 0.000 2.343 142 V HA -0.203 3.918 4.120 0.001 0.000 0.247 142 V C 2.617 178.725 176.094 0.023 0.000 1.051 142 V CA 1.322 63.634 62.300 0.021 0.000 1.036 142 V CB -0.501 31.302 31.823 -0.035 0.000 0.654 142 V HN 0.325 nan 8.190 nan 0.000 0.451 143 L N -1.008 120.210 121.223 -0.008 0.000 2.156 143 L HA -0.141 4.200 4.340 0.001 0.000 0.208 143 L C 2.408 179.318 176.870 0.066 0.000 1.095 143 L CA 1.496 56.336 54.840 -0.000 0.000 0.770 143 L CB -0.539 41.490 42.059 -0.050 0.000 0.914 143 L HN 0.580 nan 8.230 nan 0.000 0.439 144 W N 1.898 123.177 121.300 -0.035 0.000 2.355 144 W HA -0.215 4.446 4.660 0.001 0.000 0.309 144 W C 2.099 178.616 176.519 -0.003 0.000 1.206 144 W CA 1.657 58.992 57.345 -0.016 0.000 1.284 144 W CB -0.325 29.126 29.460 -0.015 0.000 1.145 144 W HN 0.258 nan 8.180 nan 0.000 0.502 145 N N 0.663 119.432 118.700 0.115 0.000 2.058 145 N HA -0.167 4.573 4.740 0.001 0.000 0.191 145 N C 1.794 177.261 175.510 -0.071 0.000 1.037 145 N CA 2.261 55.323 53.050 0.020 0.000 0.848 145 N CB -1.142 37.410 38.487 0.109 0.000 1.021 145 N HN -0.019 nan 8.380 nan 0.000 0.422 146 S N 0.832 116.519 115.700 -0.021 0.000 2.493 146 S HA -0.095 4.376 4.470 0.001 0.000 0.243 146 S C 0.235 174.797 174.600 -0.064 0.000 0.991 146 S CA 0.535 58.723 58.200 -0.021 0.000 0.957 146 S CB -0.102 63.112 63.200 0.024 0.000 0.756 146 S HN 0.257 nan 8.310 nan 0.000 0.521 147 Q N -0.967 118.748 119.800 -0.142 0.000 2.493 147 Q HA -0.139 4.202 4.340 0.001 0.000 0.260 147 Q C -0.721 175.220 176.000 -0.099 0.000 0.873 147 Q CA 0.600 56.299 55.803 -0.173 0.000 1.150 147 Q CB -2.116 26.546 28.738 -0.127 0.000 1.393 147 Q HN 0.419 nan 8.270 nan 0.000 0.607 148 I N 1.967 122.502 120.570 -0.057 0.000 2.304 148 I HA 0.264 4.434 4.170 0.001 0.000 0.291 148 I C -1.855 174.259 176.117 -0.004 0.000 1.018 148 I CA -2.451 58.846 61.300 -0.004 0.000 1.260 148 I CB 0.662 38.687 38.000 0.042 0.000 1.390 148 I HN -0.220 nan 8.210 nan 0.000 0.475 149 P HA 0.127 nan 4.420 nan 0.000 0.262 149 P C -0.587 176.716 177.300 0.005 0.000 1.199 149 P CA -0.088 63.007 63.100 -0.008 0.000 0.763 149 P CB 0.509 32.197 31.700 -0.020 0.000 0.790 150 L N 5.415 126.647 121.223 0.015 0.000 2.346 150 L HA 0.678 5.018 4.340 0.001 0.000 0.274 150 L C -1.471 175.413 176.870 0.023 0.000 1.007 150 L CA -0.818 54.033 54.840 0.018 0.000 0.818 150 L CB 1.777 43.852 42.059 0.027 0.000 1.284 150 L HN 0.106 nan 8.230 nan 0.000 0.424 151 L N 6.160 127.401 121.223 0.030 0.000 2.377 151 L HA 0.586 4.926 4.340 0.001 0.000 0.270 151 L C -1.090 175.828 176.870 0.080 0.000 0.991 151 L CA -0.095 54.778 54.840 0.056 0.000 0.851 151 L CB 1.020 43.106 42.059 0.045 0.000 1.218 151 L HN 0.547 nan 8.230 nan 0.000 0.420 152 I N 3.970 124.613 120.570 0.121 0.000 2.385 152 I HA 0.445 4.615 4.170 0.001 0.000 0.294 152 I C -0.411 175.831 176.117 0.209 0.000 0.988 152 I CA -0.361 61.039 61.300 0.166 0.000 1.265 152 I CB 1.229 39.362 38.000 0.222 0.000 1.388 152 I HN 0.528 nan 8.210 nan 0.000 0.480 153 C N 4.732 124.155 119.300 0.205 0.000 2.802 153 C HA 0.801 5.262 4.460 0.001 0.000 0.307 153 C C -0.075 175.074 174.990 0.265 0.000 1.222 153 C CA -0.710 58.442 59.018 0.223 0.000 1.580 153 C CB 2.109 29.926 27.740 0.127 0.000 2.119 153 C HN 0.779 nan 8.230 nan 0.000 0.479 154 R N 0.245 120.932 120.500 0.313 0.000 2.668 154 R HA 0.675 5.015 4.340 0.001 0.000 0.272 154 R C -1.559 174.869 176.300 0.213 0.000 1.019 154 R CA 0.037 56.289 56.100 0.254 0.000 0.894 154 R CB 1.705 32.171 30.300 0.277 0.000 1.228 154 R HN 0.777 nan 8.270 nan 0.000 0.460 155 T N 3.406 118.036 114.554 0.127 0.000 2.930 155 T HA 0.307 4.657 4.350 0.001 0.000 0.313 155 T C -1.806 172.891 174.700 -0.005 0.000 1.019 155 T CA -0.274 61.862 62.100 0.060 0.000 1.004 155 T CB 0.324 69.195 68.868 0.006 0.000 0.987 155 T HN 0.422 nan 8.240 nan 0.000 0.456 156 Y N 2.908 123.123 120.300 -0.142 0.000 2.426 156 Y HA 0.506 5.056 4.550 0.000 0.000 0.325 156 Y C 0.886 176.471 175.900 -0.525 0.000 0.989 156 Y CA 0.610 58.561 58.100 -0.248 0.000 1.284 156 Y CB 0.469 38.848 38.460 -0.135 0.000 1.104 156 Y HN 0.967 nan 8.280 nan 0.000 0.481 157 G N 3.455 111.749 108.800 -0.844 0.000 2.561 157 G HA2 -0.320 3.640 3.960 0.001 0.000 0.289 157 G HA3 -0.320 3.640 3.960 0.001 0.000 0.289 157 G C 0.231 174.584 174.900 -0.912 0.000 1.169 157 G CA 0.334 44.639 45.100 -1.326 0.000 0.980 157 G HN 0.662 nan 8.290 nan 0.000 0.550 158 L N 0.752 121.346 121.223 -1.048 0.000 2.728 158 L HA 0.370 4.711 4.340 0.001 0.000 0.235 158 L C 0.283 176.918 176.870 -0.391 0.000 1.197 158 L CA -0.162 54.371 54.840 -0.512 0.000 0.992 158 L CB 0.347 42.181 42.059 -0.375 0.000 1.263 158 L HN 0.222 nan 8.230 nan 0.000 0.484 159 V N 0.183 119.906 119.914 -0.319 0.000 2.398 159 V HA 0.535 4.656 4.120 0.001 0.000 0.286 159 V C 0.571 176.698 176.094 0.054 0.000 1.026 159 V CA -0.564 61.682 62.300 -0.089 0.000 0.868 159 V CB 1.506 33.388 31.823 0.099 0.000 0.982 159 V HN 0.263 nan 8.190 nan 0.000 0.443 160 G N 3.427 112.312 108.800 0.142 0.000 2.368 160 G HA2 0.537 4.497 3.960 0.001 0.000 0.320 160 G HA3 0.537 4.497 3.960 0.001 0.000 0.320 160 G C -1.517 173.567 174.900 0.306 0.000 1.158 160 G CA -0.331 44.932 45.100 0.272 0.000 0.912 160 G HN 0.602 nan 8.290 nan 0.000 0.456 161 Y N 2.550 122.973 120.300 0.204 0.000 2.429 161 Y HA 0.762 5.312 4.550 0.001 0.000 0.342 161 Y C -0.415 175.627 175.900 0.236 0.000 1.004 161 Y CA -1.486 56.750 58.100 0.226 0.000 1.075 161 Y CB 2.301 40.895 38.460 0.223 0.000 1.214 161 Y HN 0.478 nan 8.280 nan 0.000 0.455 162 M N 7.391 126.685 119.600 -0.509 0.000 2.265 162 M HA 0.367 4.847 4.480 0.001 0.000 0.262 162 M C -2.062 174.102 176.300 -0.226 0.000 1.026 162 M CA -0.576 54.601 55.300 -0.205 0.000 0.987 162 M CB 1.159 33.756 32.600 -0.005 0.000 1.937 162 M HN 0.664 nan 8.290 nan 0.000 0.481 163 R N 4.768 125.206 120.500 -0.104 0.000 2.393 163 R HA 0.569 4.909 4.340 0.001 0.000 0.315 163 R C -1.741 174.622 176.300 0.106 0.000 0.952 163 R CA -0.385 55.745 56.100 0.050 0.000 0.842 163 R CB 1.507 31.909 30.300 0.170 0.000 1.163 163 R HN 0.935 nan 8.270 nan 0.000 0.450 164 I N 4.834 125.391 120.570 -0.022 0.000 2.428 164 I HA 0.423 4.594 4.170 0.001 0.000 0.296 164 I C -0.586 175.479 176.117 -0.086 0.000 0.985 164 I CA -0.668 60.553 61.300 -0.133 0.000 1.260 164 I CB 0.975 38.685 38.000 -0.483 0.000 1.389 164 I HN 0.602 nan 8.210 nan 0.000 0.484 165 I N 8.767 129.327 120.570 -0.015 0.000 2.583 165 I HA 0.350 4.520 4.170 0.001 0.000 0.276 165 I C -1.074 175.099 176.117 0.093 0.000 1.089 165 I CA -0.114 61.234 61.300 0.080 0.000 1.103 165 I CB 0.919 39.003 38.000 0.139 0.000 1.209 165 I HN 0.385 nan 8.210 nan 0.000 0.484 166 I N 5.324 125.934 120.570 0.066 0.000 2.468 166 I HA 0.243 4.413 4.170 0.001 0.000 0.284 166 I C 1.154 177.306 176.117 0.058 0.000 1.038 166 I CA -0.577 60.736 61.300 0.022 0.000 1.083 166 I CB 2.093 40.074 38.000 -0.031 0.000 1.223 166 I HN 0.471 nan 8.210 nan 0.000 0.443 167 K N 4.345 124.708 120.400 -0.061 0.000 2.034 167 K HA -0.141 4.179 4.320 0.001 0.000 0.214 167 K C 0.525 177.142 176.600 0.027 0.000 1.051 167 K CA 1.797 58.036 56.287 -0.080 0.000 0.931 167 K CB 0.271 32.455 32.500 -0.527 0.000 0.715 167 K HN 0.664 nan 8.250 nan 0.000 0.446 168 E N -0.279 119.921 120.200 -0.002 0.000 2.294 168 E HA 0.058 4.408 4.350 0.001 0.000 0.272 168 E C -1.927 174.689 176.600 0.027 0.000 0.896 168 E CA -0.551 55.872 56.400 0.038 0.000 0.802 168 E CB 0.990 30.727 29.700 0.062 0.000 1.267 168 E HN 0.267 nan 8.360 nan 0.000 0.406 169 H N 5.477 124.492 119.070 -0.091 0.000 2.725 169 H HA 0.433 4.989 4.556 0.001 0.000 0.283 169 H C -2.651 172.540 175.328 -0.228 0.000 1.110 169 H CA -1.984 53.983 56.048 -0.134 0.000 1.289 169 H CB 1.013 30.718 29.762 -0.094 0.000 1.400 169 H HN 0.298 nan 8.280 nan 0.000 0.493 170 P HA 0.259 nan 4.420 nan 0.000 0.276 170 P C -1.260 175.574 177.300 -0.776 0.000 1.252 170 P CA -0.667 61.828 63.100 -1.008 0.000 0.802 170 P CB 1.616 32.295 31.700 -1.703 0.000 1.035 171 V N 2.126 121.761 119.914 -0.466 0.000 2.882 171 V HA 0.296 4.416 4.120 0.001 0.000 0.295 171 V C -0.195 175.923 176.094 0.040 0.000 1.273 171 V CA -0.328 61.861 62.300 -0.185 0.000 0.949 171 V CB 1.276 33.018 31.823 -0.135 0.000 1.071 171 V HN 0.447 nan 8.190 nan 0.000 0.432 172 I N 3.034 123.634 120.570 0.049 0.000 2.729 172 I HA 0.280 4.450 4.170 0.001 0.000 0.256 172 I C 1.430 177.540 176.117 -0.012 0.000 1.115 172 I CA 0.395 61.724 61.300 0.047 0.000 1.446 172 I CB 0.314 38.321 38.000 0.012 0.000 1.176 172 I HN 0.754 nan 8.210 nan 0.000 0.446 173 E N 1.918 122.072 120.200 -0.077 0.000 2.110 173 E HA 0.017 4.367 4.350 0.001 0.000 0.300 173 E C 1.339 177.771 176.600 -0.280 0.000 1.278 173 E CA -0.122 56.148 56.400 -0.217 0.000 1.365 173 E CB 0.240 29.793 29.700 -0.246 0.000 1.283 173 E HN 0.321 nan 8.360 nan 0.000 0.490 174 S N 1.428 117.052 115.700 -0.127 0.000 2.442 174 S HA -0.207 4.264 4.470 0.001 0.000 0.236 174 S C 0.614 175.192 174.600 -0.036 0.000 1.007 174 S CA 0.563 58.736 58.200 -0.046 0.000 0.965 174 S CB -0.184 63.050 63.200 0.057 0.000 0.773 174 S HN 0.686 nan 8.310 nan 0.000 0.504 175 H N 1.747 120.698 119.070 -0.199 0.000 2.904 175 H HA -0.053 4.503 4.556 0.000 0.000 0.333 175 H C -2.353 172.907 175.328 -0.113 0.000 1.271 175 H CA 0.759 56.701 56.048 -0.177 0.000 1.183 175 H CB -2.256 27.399 29.762 -0.178 0.000 1.519 175 H HN 0.557 nan 8.280 nan 0.000 0.441 176 P HA 0.033 nan 4.420 nan 0.000 0.268 176 P C 0.552 177.788 177.300 -0.107 0.000 1.205 176 P CA 0.052 63.038 63.100 -0.190 0.000 0.771 176 P CB 1.005 32.414 31.700 -0.485 0.000 0.858 177 D N 0.841 121.224 120.400 -0.029 0.000 2.103 177 D HA -0.024 4.617 4.640 0.001 0.000 0.199 177 D C 0.388 176.674 176.300 -0.023 0.000 0.978 177 D CA 1.416 55.411 54.000 -0.007 0.000 0.829 177 D CB 0.141 40.947 40.800 0.011 0.000 0.981 177 D HN 0.393 nan 8.370 nan 0.000 0.464 178 N N -0.552 118.135 118.700 -0.022 0.000 2.229 178 N HA 0.672 5.412 4.740 0.001 0.000 0.298 178 N C -1.319 174.190 175.510 -0.002 0.000 1.114 178 N CA -0.442 52.604 53.050 -0.007 0.000 0.776 178 N CB 2.492 40.986 38.487 0.012 0.000 1.501 178 N HN 0.036 nan 8.380 nan 0.000 0.474 179 A N 1.011 123.847 122.820 0.027 0.000 2.605 179 A HA 0.437 4.758 4.320 0.001 0.000 0.294 179 A C -1.187 176.468 177.584 0.119 0.000 1.062 179 A CA -0.653 51.439 52.037 0.092 0.000 0.682 179 A CB 0.853 19.919 19.000 0.110 0.000 1.278 179 A HN 0.527 nan 8.150 nan 0.000 0.410 180 L N 2.475 123.781 121.223 0.138 0.000 2.462 180 L HA 0.174 4.514 4.340 0.001 0.000 0.272 180 L C 0.341 177.287 176.870 0.126 0.000 1.166 180 L CA -0.396 54.513 54.840 0.115 0.000 0.880 180 L CB 0.476 42.594 42.059 0.097 0.000 1.142 180 L HN 0.653 nan 8.230 nan 0.000 0.473 181 E N 2.456 122.721 120.200 0.109 0.000 2.413 181 E HA -0.066 4.284 4.350 0.001 0.000 0.263 181 E C -0.355 176.293 176.600 0.079 0.000 1.015 181 E CA 0.047 56.500 56.400 0.089 0.000 0.916 181 E CB 0.678 30.426 29.700 0.080 0.000 0.947 181 E HN 0.370 nan 8.360 nan 0.000 0.440 182 D N 3.568 124.004 120.400 0.060 0.000 2.619 182 D HA 0.064 4.704 4.640 0.001 0.000 0.224 182 D C 0.800 177.163 176.300 0.105 0.000 1.133 182 D CA -0.036 54.011 54.000 0.079 0.000 1.017 182 D CB -0.102 40.738 40.800 0.066 0.000 1.077 182 D HN 0.359 nan 8.370 nan 0.000 0.503 183 L N 1.432 122.725 121.223 0.116 0.000 2.270 183 L HA 0.056 4.397 4.340 0.001 0.000 0.210 183 L C 1.049 178.100 176.870 0.301 0.000 1.104 183 L CA 0.072 55.011 54.840 0.165 0.000 0.804 183 L CB -0.044 42.096 42.059 0.134 0.000 0.937 183 L HN 0.229 nan 8.230 nan 0.000 0.450 184 R N -0.277 120.359 120.500 0.225 0.000 3.525 184 R HA -0.186 4.154 4.340 0.001 0.000 0.276 184 R C 1.000 177.380 176.300 0.133 0.000 1.116 184 R CA 0.387 56.604 56.100 0.195 0.000 0.745 184 R CB -2.508 27.967 30.300 0.292 0.000 1.185 184 R HN 0.391 nan 8.270 nan 0.000 0.454 185 L N 0.589 121.893 121.223 0.135 0.000 2.156 185 L HA -0.153 4.187 4.340 0.001 0.000 0.208 185 L C 2.286 179.185 176.870 0.049 0.000 1.095 185 L CA 1.978 56.887 54.840 0.115 0.000 0.770 185 L CB -0.253 41.855 42.059 0.083 0.000 0.914 185 L HN 0.300 nan 8.230 nan 0.000 0.439 186 D N 0.028 120.449 120.400 0.035 0.000 2.194 186 D HA -0.154 4.486 4.640 0.001 0.000 0.204 186 D C 0.718 177.026 176.300 0.012 0.000 0.964 186 D CA 0.871 54.877 54.000 0.008 0.000 0.846 186 D CB 0.019 40.826 40.800 0.011 0.000 0.962 186 D HN 0.257 nan 8.370 nan 0.000 0.490 187 K N 1.673 122.095 120.400 0.036 0.000 3.084 187 K HA 0.272 4.592 4.320 0.001 0.000 0.172 187 K C -2.555 174.070 176.600 0.043 0.000 1.078 187 K CA -1.409 54.902 56.287 0.039 0.000 0.875 187 K CB 1.941 34.477 32.500 0.061 0.000 1.064 187 K HN 0.143 nan 8.250 nan 0.000 0.597 188 P HA -0.066 nan 4.420 nan 0.000 0.268 188 P C -0.467 176.751 177.300 -0.136 0.000 1.208 188 P CA 0.044 63.031 63.100 -0.189 0.000 0.777 188 P CB 0.343 31.933 31.700 -0.183 0.000 0.875 189 F N -0.470 119.432 119.950 -0.080 0.000 2.440 189 F HA 0.538 5.065 4.527 0.000 0.000 0.328 189 F C -1.603 174.131 175.800 -0.111 0.000 1.070 189 F CA -3.176 54.775 58.000 -0.082 0.000 1.011 189 F CB -1.081 37.867 39.000 -0.086 0.000 1.226 189 F HN 0.116 nan 8.300 nan 0.000 0.491 190 P HA -0.255 nan 4.420 nan 0.000 0.216 190 P C 0.991 178.282 177.300 -0.015 0.000 1.167 190 P CA 2.453 65.570 63.100 0.029 0.000 0.933 190 P CB 0.079 31.810 31.700 0.051 0.000 0.793 191 E N -1.237 119.019 120.200 0.093 0.000 2.160 191 E HA -0.162 4.188 4.350 0.001 0.000 0.195 191 E C 1.870 178.370 176.600 -0.167 0.000 0.991 191 E CA 0.746 57.164 56.400 0.031 0.000 0.810 191 E CB -1.066 28.699 29.700 0.108 0.000 0.742 191 E HN 0.139 nan 8.360 nan 0.000 0.466 192 L N 0.741 121.673 121.223 -0.486 0.000 2.023 192 L HA -0.048 4.292 4.340 0.001 0.000 0.205 192 L C 2.332 178.630 176.870 -0.954 0.000 1.073 192 L CA 1.781 55.997 54.840 -1.041 0.000 0.745 192 L CB -0.405 40.443 42.059 -2.018 0.000 0.900 192 L HN -0.038 nan 8.230 nan 0.000 0.435 193 R N -0.428 119.697 120.500 -0.625 0.000 2.091 193 R HA -0.239 4.101 4.340 0.001 0.000 0.238 193 R C 2.288 178.462 176.300 -0.210 0.000 1.136 193 R CA 1.914 57.810 56.100 -0.339 0.000 0.959 193 R CB -0.330 29.878 30.300 -0.153 0.000 0.856 193 R HN 0.557 nan 8.270 nan 0.000 0.437 194 E N -0.940 119.157 120.200 -0.171 0.000 2.110 194 E HA -0.271 4.079 4.350 0.001 0.000 0.193 194 E C 1.684 178.268 176.600 -0.027 0.000 0.988 194 E CA 1.505 57.865 56.400 -0.066 0.000 0.804 194 E CB -0.068 29.608 29.700 -0.042 0.000 0.745 194 E HN 0.462 nan 8.360 nan 0.000 0.458 195 H N -0.296 118.637 119.070 -0.229 0.000 2.270 195 H HA -0.122 4.434 4.556 0.000 0.000 0.299 195 H C 1.659 177.057 175.328 0.118 0.000 1.077 195 H CA 2.278 58.253 56.048 -0.122 0.000 1.294 195 H CB -0.576 29.026 29.762 -0.268 0.000 1.371 195 H HN 0.199 nan 8.280 nan 0.000 0.491 196 F N 0.747 120.743 119.950 0.077 0.000 2.091 196 F HA -0.326 4.201 4.527 0.000 0.000 0.299 196 F C 2.778 178.618 175.800 0.066 0.000 1.103 196 F CA 1.171 59.194 58.000 0.039 0.000 1.228 196 F CB -0.434 38.563 39.000 -0.005 0.000 0.984 196 F HN 0.282 nan 8.300 nan 0.000 0.477 197 Q N 0.254 120.180 119.800 0.210 0.000 2.217 197 Q HA -0.237 4.103 4.340 0.001 0.000 0.209 197 Q C 2.256 178.307 176.000 0.086 0.000 0.988 197 Q CA 2.008 57.883 55.803 0.121 0.000 0.878 197 Q CB -0.446 28.331 28.738 0.064 0.000 0.909 197 Q HN 0.515 nan 8.270 nan 0.000 0.424 198 S N -1.019 114.711 115.700 0.050 0.000 2.461 198 S HA -0.083 4.388 4.470 0.001 0.000 0.228 198 S C 0.411 174.968 174.600 -0.072 0.000 1.005 198 S CA 0.032 58.206 58.200 -0.043 0.000 0.942 198 S CB -0.171 62.950 63.200 -0.132 0.000 0.776 198 S HN 0.212 nan 8.310 nan 0.000 0.514 199 Y N 2.037 122.315 120.300 -0.037 0.000 2.319 199 Y HA 0.577 5.127 4.550 0.001 0.000 0.328 199 Y C 0.556 176.469 175.900 0.022 0.000 1.133 199 Y CA -0.245 57.848 58.100 -0.011 0.000 1.265 199 Y CB 0.716 39.168 38.460 -0.012 0.000 1.218 199 Y HN 0.227 nan 8.280 nan 0.000 0.508 209 H N 0.724 119.830 119.070 0.060 0.000 2.253 209 H HA -0.017 4.539 4.556 0.000 0.000 0.296 209 H C 2.588 178.006 175.328 0.150 0.000 1.067 209 H CA 3.259 59.372 56.048 0.110 0.000 1.245 209 H CB -0.004 29.770 29.762 0.019 0.000 1.364 209 H HN 0.343 nan 8.280 nan 0.000 0.494 210 S N -0.773 115.015 115.700 0.147 0.000 2.469 210 S HA -0.148 4.323 4.470 0.001 0.000 0.238 210 S C 0.943 175.710 174.600 0.278 0.000 0.998 210 S CA 0.886 59.178 58.200 0.152 0.000 0.957 210 S CB -0.455 62.777 63.200 0.054 0.000 0.764 210 S HN 0.594 nan 8.310 nan 0.000 0.514 211 H N 0.265 119.417 119.070 0.137 0.000 2.537 211 H HA 0.225 4.781 4.556 0.000 0.000 0.295 211 H C -0.369 175.045 175.328 0.143 0.000 1.054 211 H CA -0.349 55.776 56.048 0.128 0.000 1.156 211 H CB 0.353 30.184 29.762 0.115 0.000 1.468 211 H HN 0.200 nan 8.280 nan 0.000 0.551 212 T N 2.577 117.273 114.554 0.237 0.000 2.767 212 T HA 0.174 4.524 4.350 0.001 0.000 0.284 212 T C -2.375 172.378 174.700 0.088 0.000 0.973 212 T CA -1.654 60.533 62.100 0.146 0.000 0.996 212 T CB 1.700 70.594 68.868 0.043 0.000 0.927 212 T HN 0.073 nan 8.240 nan 0.000 0.456 213 P HA -0.057 nan 4.420 nan 0.000 0.264 213 P C 0.386 177.687 177.300 0.002 0.000 1.179 213 P CA -0.135 62.982 63.100 0.029 0.000 0.763 213 P CB 0.380 32.075 31.700 -0.007 0.000 0.806 214 W N 5.595 126.883 121.300 -0.019 0.000 2.342 214 W HA -0.165 4.496 4.660 0.001 0.000 0.297 214 W C 1.420 177.862 176.519 -0.128 0.000 1.213 214 W CA 1.049 58.335 57.345 -0.098 0.000 1.251 214 W CB -1.829 27.595 29.460 -0.060 0.000 1.136 214 W HN 0.211 nan 8.180 nan 0.000 0.526 215 I N 0.865 121.278 120.570 -0.262 0.000 2.194 215 I HA -0.340 3.831 4.170 0.001 0.000 0.246 215 I C 2.360 178.381 176.117 -0.161 0.000 1.093 215 I CA 1.907 63.135 61.300 -0.120 0.000 1.355 215 I CB -0.942 36.938 38.000 -0.201 0.000 1.046 215 I HN -0.069 nan 8.210 nan 0.000 0.413 216 V N 0.978 120.768 119.914 -0.207 0.000 2.407 216 V HA -0.254 3.867 4.120 0.001 0.000 0.248 216 V C 2.346 178.211 176.094 -0.383 0.000 1.055 216 V CA 1.332 63.393 62.300 -0.398 0.000 1.049 216 V CB -0.448 31.019 31.823 -0.594 0.000 0.662 216 V HN 0.279 nan 8.190 nan 0.000 0.455 217 I N -0.165 120.247 120.570 -0.262 0.000 2.072 217 I HA -0.234 3.936 4.170 0.001 0.000 0.235 217 I C 2.435 178.434 176.117 -0.197 0.000 1.058 217 I CA 1.950 63.073 61.300 -0.294 0.000 1.320 217 I CB -1.032 36.696 38.000 -0.454 0.000 1.047 217 I HN 0.220 nan 8.210 nan 0.000 0.397 218 I N 1.048 121.549 120.570 -0.115 0.000 2.145 218 I HA -0.372 3.799 4.170 0.001 0.000 0.244 218 I C 2.820 178.948 176.117 0.019 0.000 1.075 218 I CA 1.688 63.005 61.300 0.028 0.000 1.332 218 I CB -0.481 37.596 38.000 0.127 0.000 1.033 218 I HN 0.240 nan 8.210 nan 0.000 0.410 219 A N 0.615 123.294 122.820 -0.235 0.000 1.869 219 A HA -0.338 3.983 4.320 0.001 0.000 0.218 219 A C 2.272 179.708 177.584 -0.247 0.000 1.203 219 A CA 2.456 54.203 52.037 -0.483 0.000 0.638 219 A CB -0.682 17.423 19.000 -1.492 0.000 0.831 219 A HN 0.246 nan 8.150 nan 0.000 0.450 220 K N -1.325 118.956 120.400 -0.198 0.000 2.020 220 K HA -0.157 4.163 4.320 0.001 0.000 0.212 220 K C 1.683 178.296 176.600 0.022 0.000 1.050 220 K CA 1.922 58.178 56.287 -0.051 0.000 0.929 220 K CB -0.599 31.901 32.500 -0.000 0.000 0.714 220 K HN 0.584 nan 8.250 nan 0.000 0.443 221 Y N -0.368 119.903 120.300 -0.047 0.000 2.509 221 Y HA -0.026 4.525 4.550 0.000 0.000 0.293 221 Y C 1.704 177.755 175.900 0.251 0.000 1.133 221 Y CA 0.326 58.432 58.100 0.010 0.000 1.283 221 Y CB -0.137 38.188 38.460 -0.226 0.000 1.001 221 Y HN 0.026 nan 8.280 nan 0.000 0.555 222 L N -0.142 121.322 121.223 0.402 0.000 2.044 222 L HA -0.058 4.282 4.340 0.001 0.000 0.205 222 L C 2.386 179.436 176.870 0.299 0.000 1.075 222 L CA 1.872 56.931 54.840 0.364 0.000 0.747 222 L CB -0.992 41.137 42.059 0.118 0.000 0.903 222 L HN 0.105 nan 8.230 nan 0.000 0.435 223 A N -1.349 121.577 122.820 0.177 0.000 1.969 223 A HA -0.250 4.070 4.320 0.001 0.000 0.218 223 A C 2.280 180.000 177.584 0.227 0.000 1.169 223 A CA 1.639 53.779 52.037 0.171 0.000 0.635 223 A CB -0.615 18.432 19.000 0.079 0.000 0.810 223 A HN 0.632 nan 8.150 nan 0.000 0.445 224 Q N -1.600 118.309 119.800 0.181 0.000 2.230 224 Q HA -0.140 4.200 4.340 0.001 0.000 0.202 224 Q C 1.855 178.015 176.000 0.267 0.000 0.963 224 Q CA 1.137 57.023 55.803 0.137 0.000 0.866 224 Q CB -0.178 28.547 28.738 -0.022 0.000 0.931 224 Q HN 0.905 nan 8.270 nan 0.000 0.452 225 W N 0.060 121.470 121.300 0.183 0.000 2.539 225 W HA -0.154 4.506 4.660 0.000 0.000 0.281 225 W C 1.318 177.939 176.519 0.170 0.000 1.220 225 W CA 0.666 58.131 57.345 0.200 0.000 1.332 225 W CB -0.545 29.116 29.460 0.335 0.000 1.095 225 W HN 0.213 nan 8.180 nan 0.000 0.571 226 Y N 2.177 122.715 120.300 0.397 0.000 2.256 226 Y HA -0.260 4.290 4.550 0.000 0.000 0.288 226 Y C 2.600 178.560 175.900 0.100 0.000 1.155 226 Y CA 2.526 60.770 58.100 0.240 0.000 1.203 226 Y CB -0.553 38.008 38.460 0.169 0.000 0.980 226 Y HN -0.205 nan 8.280 nan 0.000 0.530 227 S N 0.097 115.877 115.700 0.134 0.000 2.331 227 S HA -0.172 4.298 4.470 0.001 0.000 0.208 227 S C 1.749 176.292 174.600 -0.095 0.000 1.032 227 S CA 1.220 59.420 58.200 0.001 0.000 0.991 227 S CB -0.439 62.794 63.200 0.054 0.000 0.980 227 S HN 0.532 nan 8.310 nan 0.000 0.433 228 E N 0.691 120.839 120.200 -0.087 0.000 2.136 228 E HA -0.159 4.191 4.350 0.001 0.000 0.202 228 E C 0.279 176.733 176.600 -0.243 0.000 1.019 228 E CA 1.335 57.643 56.400 -0.153 0.000 0.819 228 E CB -0.393 29.212 29.700 -0.158 0.000 0.739 228 E HN 0.300 nan 8.360 nan 0.000 0.458 229 T N 2.276 116.622 114.554 -0.346 0.000 3.477 229 T HA 0.053 4.403 4.350 0.001 0.000 0.347 229 T C -0.046 174.496 174.700 -0.264 0.000 1.567 229 T CA -0.439 61.433 62.100 -0.379 0.000 1.169 229 T CB -0.204 68.261 68.868 -0.671 0.000 1.196 229 T HN 0.091 nan 8.240 nan 0.000 0.768 230 N N 2.308 120.865 118.700 -0.237 0.000 2.182 230 N HA -0.105 4.635 4.740 0.001 0.000 0.283 230 N C 1.509 176.826 175.510 -0.322 0.000 1.380 230 N CA 1.833 54.713 53.050 -0.283 0.000 0.874 230 N CB -0.189 38.185 38.487 -0.188 0.000 1.190 230 N HN 0.853 nan 8.380 nan 0.000 0.494 231 G N 4.330 112.747 108.800 -0.637 0.000 2.990 231 G HA2 -0.327 3.633 3.960 0.001 0.000 0.225 231 G HA3 -0.327 3.633 3.960 0.001 0.000 0.225 231 G C 0.405 175.262 174.900 -0.072 0.000 1.304 231 G CA 0.324 45.127 45.100 -0.495 0.000 0.816 231 G HN 0.699 nan 8.290 nan 0.000 0.528 232 R N 0.782 121.278 120.500 -0.007 0.000 2.862 232 R HA 0.435 4.775 4.340 0.001 0.000 0.267 232 R C 0.398 176.902 176.300 0.339 0.000 0.995 232 R CA 0.770 56.957 56.100 0.146 0.000 1.140 232 R CB -0.122 30.250 30.300 0.120 0.000 1.031 232 R HN 0.586 nan 8.270 nan 0.000 0.459 233 I N 0.861 121.624 120.570 0.323 0.000 2.752 233 I HA 0.189 4.359 4.170 0.001 0.000 0.295 233 I C -2.322 173.826 176.117 0.051 0.000 1.219 233 I CA -2.456 58.968 61.300 0.206 0.000 1.030 233 I CB 2.596 40.640 38.000 0.073 0.000 1.259 233 I HN 0.224 nan 8.210 nan 0.000 0.423 234 P HA -0.049 nan 4.420 nan 0.000 0.253 234 P C -0.143 177.061 177.300 -0.161 0.000 1.159 234 P CA 0.568 63.460 63.100 -0.348 0.000 0.779 234 P CB 0.433 31.608 31.700 -0.876 0.000 0.745 235 K N 1.446 121.824 120.400 -0.036 0.000 2.511 235 K HA 0.113 4.433 4.320 0.001 0.000 0.206 235 K C 0.001 176.563 176.600 -0.064 0.000 1.333 235 K CA 0.281 56.544 56.287 -0.040 0.000 0.957 235 K CB 0.766 33.257 32.500 -0.014 0.000 1.172 235 K HN 0.277 nan 8.250 nan 0.000 0.547 236 T N 0.432 114.966 114.554 -0.034 0.000 2.867 236 T HA 0.224 4.574 4.350 0.001 0.000 0.282 236 T C 0.564 175.288 174.700 0.039 0.000 1.000 236 T CA -0.520 61.527 62.100 -0.089 0.000 1.042 236 T CB 0.803 69.651 68.868 -0.034 0.000 0.973 236 T HN 0.093 nan 8.240 nan 0.000 0.465 237 Y N 0.809 121.118 120.300 0.016 0.000 2.181 237 Y HA -0.276 4.275 4.550 0.000 0.000 0.284 237 Y C 2.575 178.493 175.900 0.031 0.000 1.179 237 Y CA 0.853 58.961 58.100 0.013 0.000 1.179 237 Y CB -0.107 38.360 38.460 0.012 0.000 0.973 237 Y HN 0.463 nan 8.280 nan 0.000 0.519 238 K N 1.089 121.602 120.400 0.188 0.000 2.025 238 K HA -0.173 4.147 4.320 0.001 0.000 0.207 238 K C 1.551 178.251 176.600 0.167 0.000 1.049 238 K CA 1.823 58.199 56.287 0.149 0.000 0.933 238 K CB -0.262 32.307 32.500 0.115 0.000 0.714 238 K HN 0.316 nan 8.250 nan 0.000 0.438 239 E N 0.219 120.521 120.200 0.170 0.000 2.077 239 E HA -0.154 4.197 4.350 0.001 0.000 0.193 239 E C 1.946 178.610 176.600 0.107 0.000 0.989 239 E CA 1.277 57.818 56.400 0.235 0.000 0.800 239 E CB -0.022 29.821 29.700 0.240 0.000 0.746 239 E HN 0.287 nan 8.360 nan 0.000 0.452 240 K N 0.610 121.044 120.400 0.056 0.000 2.097 240 K HA -0.197 4.124 4.320 0.001 0.000 0.206 240 K C 2.133 178.793 176.600 0.099 0.000 1.049 240 K CA 1.198 57.497 56.287 0.020 0.000 0.933 240 K CB -0.016 32.515 32.500 0.051 0.000 0.717 240 K HN -0.050 nan 8.250 nan 0.000 0.442 241 E N 1.552 121.819 120.200 0.112 0.000 2.031 241 E HA -0.182 4.168 4.350 0.001 0.000 0.193 241 E C 1.332 178.008 176.600 0.126 0.000 0.994 241 E CA 1.657 58.116 56.400 0.098 0.000 0.800 241 E CB -0.162 29.594 29.700 0.094 0.000 0.752 241 E HN 0.151 nan 8.360 nan 0.000 0.447 242 D N -0.672 119.842 120.400 0.191 0.000 2.263 242 D HA -0.141 4.500 4.640 0.001 0.000 0.208 242 D C 1.508 177.991 176.300 0.304 0.000 0.971 242 D CA 0.524 54.682 54.000 0.264 0.000 0.867 242 D CB -0.295 40.734 40.800 0.382 0.000 0.929 242 D HN 0.204 nan 8.370 nan 0.000 0.492 243 F N 1.633 121.586 119.950 0.005 0.000 2.098 243 F HA -0.037 4.490 4.527 0.000 0.000 0.294 243 F C 2.185 177.960 175.800 -0.042 0.000 1.107 243 F CA 1.169 59.083 58.000 -0.143 0.000 1.234 243 F CB -0.108 38.626 39.000 -0.443 0.000 1.002 243 F HN -0.234 nan 8.300 nan 0.000 0.472 244 R N 0.280 120.765 120.500 -0.025 0.000 2.133 244 R HA -0.221 4.119 4.340 0.001 0.000 0.247 244 R C 1.708 177.940 176.300 -0.115 0.000 1.151 244 R CA 2.052 58.088 56.100 -0.107 0.000 0.971 244 R CB -0.688 29.596 30.300 -0.026 0.000 0.866 244 R HN 0.338 nan 8.270 nan 0.000 0.447 245 D N 0.267 120.651 120.400 -0.027 0.000 2.123 245 D HA -0.124 4.517 4.640 0.001 0.000 0.200 245 D C 1.652 177.955 176.300 0.006 0.000 0.976 245 D CA 0.539 54.544 54.000 0.007 0.000 0.831 245 D CB -0.216 40.620 40.800 0.060 0.000 0.974 245 D HN 0.009 nan 8.370 nan 0.000 0.469 246 L N 0.574 121.805 121.223 0.014 0.000 2.129 246 L HA -0.136 4.204 4.340 0.001 0.000 0.212 246 L C 1.742 178.634 176.870 0.038 0.000 1.087 246 L CA 1.476 56.367 54.840 0.084 0.000 0.757 246 L CB -0.238 41.898 42.059 0.128 0.000 0.896 246 L HN 0.101 nan 8.230 nan 0.000 0.434 247 I N -1.697 118.716 120.570 -0.262 0.000 2.584 247 I HA -0.160 4.010 4.170 0.001 0.000 0.255 247 I C 2.510 178.536 176.117 -0.151 0.000 1.145 247 I CA 0.443 61.429 61.300 -0.524 0.000 1.462 247 I CB -0.239 37.358 38.000 -0.671 0.000 1.102 247 I HN 0.195 nan 8.210 nan 0.000 0.433 248 R N 0.741 121.213 120.500 -0.048 0.000 2.073 248 R HA -0.172 4.169 4.340 0.001 0.000 0.234 248 R C 2.114 178.460 176.300 0.077 0.000 1.134 248 R CA 1.342 57.465 56.100 0.038 0.000 0.952 248 R CB -0.308 30.002 30.300 0.016 0.000 0.850 248 R HN 0.445 nan 8.270 nan 0.000 0.433 249 Q N -0.674 119.179 119.800 0.087 0.000 2.439 249 Q HA -0.071 4.270 4.340 0.001 0.000 0.211 249 Q C 1.500 177.604 176.000 0.173 0.000 0.978 249 Q CA 1.016 56.885 55.803 0.110 0.000 0.897 249 Q CB 0.147 28.953 28.738 0.113 0.000 0.956 249 Q HN 0.412 nan 8.270 nan 0.000 0.483 250 G N 0.064 109.026 108.800 0.269 0.000 3.189 250 G HA2 0.159 4.119 3.960 0.001 0.000 0.225 250 G HA3 0.159 4.119 3.960 0.001 0.000 0.225 250 G C 0.333 175.435 174.900 0.337 0.000 1.159 250 G CA -0.420 44.948 45.100 0.447 0.000 0.763 250 G HN 0.147 nan 8.290 nan 0.000 0.549 251 I N 1.966 122.586 120.570 0.083 0.000 2.576 251 I HA -0.044 4.126 4.170 0.001 0.000 0.288 251 I C 1.733 177.705 176.117 -0.243 0.000 1.126 251 I CA -0.694 60.440 61.300 -0.276 0.000 1.362 251 I CB 1.105 38.994 38.000 -0.185 0.000 1.419 251 I HN 0.025 nan 8.210 nan 0.000 0.533 252 L N 7.916 128.898 121.223 -0.401 0.000 2.011 252 L HA -0.251 4.089 4.340 0.001 0.000 0.225 252 L C 1.182 177.894 176.870 -0.263 0.000 1.084 252 L CA 2.381 56.960 54.840 -0.436 0.000 0.791 252 L CB -0.735 40.808 42.059 -0.861 0.000 0.898 252 L HN 0.709 nan 8.230 nan 0.000 0.440 260 E N 0.948 121.105 120.200 -0.073 0.000 3.678 260 E HA 0.150 4.500 4.350 0.001 0.000 0.251 260 E C -1.122 175.448 176.600 -0.050 0.000 1.255 260 E CA 0.147 56.513 56.400 -0.058 0.000 1.648 260 E CB 0.355 30.013 29.700 -0.070 0.000 2.201 260 E HN 0.223 nan 8.360 nan 0.000 0.751 261 D N 1.129 121.492 120.400 -0.062 0.000 2.330 261 D HA 0.285 4.925 4.640 0.001 0.000 0.249 261 D C -0.875 175.398 176.300 -0.046 0.000 1.306 261 D CA -0.058 53.919 54.000 -0.039 0.000 0.956 261 D CB 1.322 42.110 40.800 -0.020 0.000 1.261 261 D HN 0.234 nan 8.370 nan 0.000 0.544 262 E N 0.735 120.907 120.200 -0.047 0.000 2.968 262 E HA 0.011 4.362 4.350 0.001 0.000 0.202 262 E C 1.184 177.834 176.600 0.083 0.000 0.979 262 E CA -0.108 56.272 56.400 -0.033 0.000 1.192 262 E CB 0.959 30.502 29.700 -0.261 0.000 1.059 262 E HN 0.375 nan 8.360 nan 0.000 0.470 263 E N 1.580 121.826 120.200 0.076 0.000 2.370 263 E HA -0.417 3.933 4.350 0.001 0.000 0.232 263 E C 1.483 178.161 176.600 0.130 0.000 1.117 263 E CA 2.508 58.961 56.400 0.089 0.000 0.963 263 E CB -0.160 29.586 29.700 0.077 0.000 0.810 263 E HN 0.565 nan 8.360 nan 0.000 0.464 264 N N -1.214 117.598 118.700 0.188 0.000 2.166 264 N HA -0.189 4.551 4.740 0.001 0.000 0.186 264 N C 1.819 177.456 175.510 0.212 0.000 1.019 264 N CA 1.169 54.348 53.050 0.215 0.000 0.856 264 N CB -0.526 38.112 38.487 0.252 0.000 0.993 264 N HN 0.063 nan 8.380 nan 0.000 0.426 265 F N 1.406 121.354 119.950 -0.005 0.000 2.120 265 F HA -0.131 4.396 4.527 0.000 0.000 0.300 265 F C 2.616 178.359 175.800 -0.095 0.000 1.095 265 F CA 1.321 59.278 58.000 -0.072 0.000 1.249 265 F CB -0.583 38.372 39.000 -0.075 0.000 0.995 265 F HN 0.117 nan 8.300 nan 0.000 0.480 266 E N 0.112 120.391 120.200 0.132 0.000 2.153 266 E HA -0.208 4.142 4.350 0.001 0.000 0.194 266 E C 2.136 178.700 176.600 -0.059 0.000 0.988 266 E CA 1.353 57.766 56.400 0.022 0.000 0.811 266 E CB -0.217 29.500 29.700 0.028 0.000 0.746 266 E HN 0.467 nan 8.360 nan 0.000 0.466 267 E N -0.757 119.415 120.200 -0.047 0.000 2.072 267 E HA -0.175 4.175 4.350 0.001 0.000 0.191 267 E C 1.928 178.306 176.600 -0.369 0.000 0.985 267 E CA 0.857 57.164 56.400 -0.154 0.000 0.801 267 E CB -0.154 29.548 29.700 0.003 0.000 0.750 267 E HN 0.327 nan 8.360 nan 0.000 0.452 268 A N 1.363 124.023 122.820 -0.267 0.000 1.865 268 A HA -0.218 4.102 4.320 0.001 0.000 0.217 268 A C 2.161 179.545 177.584 -0.335 0.000 1.191 268 A CA 1.557 53.377 52.037 -0.362 0.000 0.623 268 A CB -0.855 17.983 19.000 -0.270 0.000 0.826 268 A HN 0.310 nan 8.150 nan 0.000 0.444 269 I N -0.470 119.953 120.570 -0.245 0.000 2.185 269 I HA -0.367 3.803 4.170 0.001 0.000 0.246 269 I C 2.511 178.521 176.117 -0.178 0.000 1.088 269 I CA 2.059 63.249 61.300 -0.184 0.000 1.347 269 I CB -0.352 37.570 38.000 -0.128 0.000 1.041 269 I HN 0.367 nan 8.210 nan 0.000 0.415 270 K N 0.361 120.628 120.400 -0.222 0.000 2.062 270 K HA -0.084 4.236 4.320 0.001 0.000 0.205 270 K C 1.858 178.293 176.600 -0.274 0.000 1.051 270 K CA 1.142 57.299 56.287 -0.217 0.000 0.941 270 K CB -0.214 32.158 32.500 -0.214 0.000 0.719 270 K HN 0.320 nan 8.250 nan 0.000 0.440 271 N N 0.989 119.417 118.700 -0.453 0.000 2.289 271 N HA -0.114 4.626 4.740 0.001 0.000 0.184 271 N C 1.681 177.042 175.510 -0.248 0.000 1.016 271 N CA 0.820 53.572 53.050 -0.497 0.000 0.872 271 N CB -0.146 37.682 38.487 -1.098 0.000 0.973 271 N HN -0.051 nan 8.380 nan 0.000 0.433 272 V N 1.885 121.691 119.914 -0.180 0.000 2.764 272 V HA -0.232 3.888 4.120 0.001 0.000 0.261 272 V C 1.980 178.038 176.094 -0.059 0.000 1.108 272 V CA 1.423 63.691 62.300 -0.054 0.000 1.129 272 V CB -0.855 30.999 31.823 0.051 0.000 0.701 272 V HN 0.379 nan 8.190 nan 0.000 0.495 273 N N 0.303 118.953 118.700 -0.083 0.000 2.459 273 N HA -0.114 4.627 4.740 0.001 0.000 0.181 273 N C 1.470 176.955 175.510 -0.041 0.000 1.046 273 N CA 1.619 54.630 53.050 -0.066 0.000 0.904 273 N CB 0.121 38.554 38.487 -0.090 0.000 0.964 273 N HN 0.641 nan 8.380 nan 0.000 0.444 274 T N -5.079 109.453 114.554 -0.038 0.000 3.010 274 T HA 0.400 4.750 4.350 0.001 0.000 0.253 274 T C 1.650 176.366 174.700 0.027 0.000 0.939 274 T CA 0.168 62.268 62.100 0.001 0.000 0.910 274 T CB -0.374 68.500 68.868 0.011 0.000 1.226 274 T HN 0.093 nan 8.240 nan 0.000 0.508 275 A N 1.677 124.516 122.820 0.031 0.000 2.067 275 A HA 0.343 4.663 4.320 0.001 0.000 0.219 275 A C 2.034 179.632 177.584 0.024 0.000 1.158 275 A CA 0.666 52.750 52.037 0.078 0.000 0.661 275 A CB -0.803 18.282 19.000 0.142 0.000 0.801 275 A HN 0.517 nan 8.150 nan 0.000 0.452 276 L N -0.941 120.259 121.223 -0.037 0.000 2.599 276 L HA 0.103 4.443 4.340 0.001 0.000 0.230 276 L C 0.575 177.418 176.870 -0.046 0.000 1.141 276 L CA 0.444 55.230 54.840 -0.090 0.000 0.877 276 L CB -0.662 41.274 42.059 -0.203 0.000 1.009 276 L HN 0.616 nan 8.230 nan 0.000 0.447 277 N N 0.173 118.871 118.700 -0.003 0.000 2.732 277 N HA 0.107 4.848 4.740 0.001 0.000 0.247 277 N C -0.523 175.008 175.510 0.036 0.000 1.305 277 N CA -0.062 52.996 53.050 0.014 0.000 0.762 277 N CB 0.897 39.393 38.487 0.015 0.000 1.361 277 N HN -0.033 nan 8.380 nan 0.000 0.545 278 T N -0.715 113.867 114.554 0.046 0.000 4.076 278 T HA 0.269 4.619 4.350 0.001 0.000 0.222 278 T C -0.812 173.928 174.700 0.067 0.000 1.008 278 T CA -0.386 61.751 62.100 0.061 0.000 1.486 278 T CB 0.424 69.339 68.868 0.079 0.000 0.828 278 T HN 0.153 nan 8.240 nan 0.000 0.625 279 T N 1.818 116.404 114.554 0.054 0.000 3.755 279 T HA 0.488 4.838 4.350 0.001 0.000 0.327 279 T C -1.379 173.346 174.700 0.042 0.000 0.801 279 T CA -0.518 61.617 62.100 0.058 0.000 1.026 279 T CB 1.345 70.256 68.868 0.072 0.000 1.040 279 T HN 0.617 nan 8.240 nan 0.000 0.470 280 Q N 2.590 122.409 119.800 0.031 0.000 2.541 280 Q HA 0.373 4.713 4.340 0.001 0.000 0.259 280 Q C -1.547 174.454 176.000 0.001 0.000 0.974 280 Q CA -0.694 55.121 55.803 0.021 0.000 0.955 280 Q CB 1.552 30.302 28.738 0.020 0.000 1.517 280 Q HN 0.645 nan 8.270 nan 0.000 0.412 281 I N 4.968 125.536 120.570 -0.003 0.000 2.505 281 I HA 0.160 4.330 4.170 0.001 0.000 0.287 281 I C -1.939 174.139 176.117 -0.066 0.000 1.104 281 I CA -1.417 59.857 61.300 -0.043 0.000 1.387 281 I CB 0.409 38.388 38.000 -0.035 0.000 1.404 281 I HN 0.417 nan 8.210 nan 0.000 0.528 282 P HA -0.029 nan 4.420 nan 0.000 0.267 282 P C 0.810 178.060 177.300 -0.084 0.000 1.200 282 P CA 0.130 63.189 63.100 -0.069 0.000 0.772 282 P CB 0.849 32.505 31.700 -0.073 0.000 0.855 283 S N 2.427 118.103 115.700 -0.041 0.000 2.359 283 S HA -0.204 4.266 4.470 0.001 0.000 0.223 283 S C 1.963 176.537 174.600 -0.043 0.000 1.039 283 S CA 2.305 60.486 58.200 -0.030 0.000 1.042 283 S CB -1.067 62.133 63.200 0.000 0.000 0.915 283 S HN 0.595 nan 8.310 nan 0.000 0.439 284 S N 1.684 117.366 115.700 -0.030 0.000 2.383 284 S HA -0.079 4.391 4.470 0.001 0.000 0.229 284 S C 1.884 176.439 174.600 -0.075 0.000 1.030 284 S CA 1.329 59.517 58.200 -0.019 0.000 1.002 284 S CB -0.754 62.452 63.200 0.009 0.000 0.829 284 S HN 0.519 nan 8.310 nan 0.000 0.467 285 I N 2.305 122.773 120.570 -0.169 0.000 2.202 285 I HA -0.069 4.101 4.170 0.001 0.000 0.242 285 I C 2.850 178.643 176.117 -0.541 0.000 1.091 285 I CA 1.258 62.339 61.300 -0.365 0.000 1.368 285 I CB -1.402 36.328 38.000 -0.449 0.000 1.058 285 I HN 0.340 nan 8.210 nan 0.000 0.410 286 E N 0.992 120.962 120.200 -0.383 0.000 2.085 286 E HA -0.229 4.121 4.350 0.001 0.000 0.194 286 E C 1.689 178.264 176.600 -0.043 0.000 0.994 286 E CA 1.312 57.574 56.400 -0.230 0.000 0.801 286 E CB -0.286 29.367 29.700 -0.079 0.000 0.743 286 E HN 0.504 nan 8.360 nan 0.000 0.453 287 D N 0.420 120.809 120.400 -0.017 0.000 2.221 287 D HA -0.125 4.516 4.640 0.001 0.000 0.204 287 D C 2.045 178.428 176.300 0.137 0.000 0.982 287 D CA 0.672 54.709 54.000 0.062 0.000 0.857 287 D CB -0.167 40.667 40.800 0.057 0.000 0.934 287 D HN 0.280 nan 8.370 nan 0.000 0.475 288 I N -0.270 120.378 120.570 0.130 0.000 2.406 288 I HA -0.140 4.031 4.170 0.001 0.000 0.249 288 I C 2.269 178.676 176.117 0.484 0.000 1.122 288 I CA 0.451 61.942 61.300 0.318 0.000 1.431 288 I CB -0.189 37.945 38.000 0.223 0.000 1.087 288 I HN -0.079 nan 8.210 nan 0.000 0.424 289 F N 1.312 121.355 119.950 0.156 0.000 2.102 289 F HA -0.191 4.336 4.527 0.000 0.000 0.298 289 F C 1.722 177.582 175.800 0.101 0.000 1.105 289 F CA 0.588 58.657 58.000 0.116 0.000 1.239 289 F CB -0.271 38.766 39.000 0.062 0.000 0.991 289 F HN 0.169 nan 8.300 nan 0.000 0.474 290 N N 0.653 119.529 118.700 0.294 0.000 2.413 290 N HA -0.059 4.681 4.740 0.001 0.000 0.207 290 N C -0.308 175.279 175.510 0.127 0.000 1.206 290 N CA 0.386 53.535 53.050 0.166 0.000 0.832 290 N CB -0.565 37.997 38.487 0.124 0.000 1.037 290 N HN 0.271 nan 8.380 nan 0.000 0.467 291 D N 0.726 121.223 120.400 0.162 0.000 2.210 291 D HA -0.022 4.618 4.640 0.001 0.000 0.249 291 D C 0.662 176.930 176.300 -0.052 0.000 1.062 291 D CA -0.337 53.706 54.000 0.072 0.000 0.891 291 D CB 1.634 42.522 40.800 0.148 0.000 1.186 291 D HN 0.024 nan 8.370 nan 0.000 0.432 292 D N 3.009 123.348 120.400 -0.102 0.000 2.221 292 D HA -0.185 4.456 4.640 0.001 0.000 0.204 292 D C 1.522 177.675 176.300 -0.244 0.000 0.982 292 D CA 0.789 54.710 54.000 -0.132 0.000 0.857 292 D CB 0.294 41.032 40.800 -0.104 0.000 0.934 292 D HN 0.370 nan 8.370 nan 0.000 0.475 293 R N -0.634 119.573 120.500 -0.489 0.000 2.153 293 R HA 0.003 4.343 4.340 0.001 0.000 0.218 293 R C 2.505 178.465 176.300 -0.568 0.000 1.072 293 R CA 0.699 56.326 56.100 -0.789 0.000 0.990 293 R CB -0.304 29.001 30.300 -1.658 0.000 0.889 293 R HN 0.239 nan 8.270 nan 0.000 0.452 294 C N -0.383 118.739 119.300 -0.296 0.000 2.522 294 C HA 0.163 4.623 4.460 0.001 0.000 0.280 294 C C 2.275 177.282 174.990 0.029 0.000 1.303 294 C CA 0.082 59.180 59.018 0.134 0.000 1.709 294 C CB -0.685 27.275 27.740 0.367 0.000 2.071 294 C HN 0.470 nan 8.230 nan 0.000 0.492 295 I N 1.733 122.292 120.570 -0.019 0.000 2.090 295 I HA -0.121 4.049 4.170 0.001 0.000 0.236 295 I C 0.466 176.560 176.117 -0.039 0.000 1.064 295 I CA 1.301 62.584 61.300 -0.027 0.000 1.324 295 I CB -0.551 37.434 38.000 -0.025 0.000 1.044 295 I HN 0.407 nan 8.210 nan 0.000 0.399 296 N N 3.592 122.256 118.700 -0.060 0.000 2.719 296 N HA 0.188 4.929 4.740 0.001 0.000 0.243 296 N C -0.290 175.187 175.510 -0.055 0.000 1.104 296 N CA -0.010 53.009 53.050 -0.053 0.000 0.981 296 N CB 0.521 38.974 38.487 -0.057 0.000 1.290 296 N HN 0.236 nan 8.380 nan 0.000 0.513 297 I N -0.568 119.985 120.570 -0.028 0.000 2.581 297 I HA 0.493 4.663 4.170 0.001 0.000 0.288 297 I C 0.676 176.788 176.117 -0.009 0.000 1.047 297 I CA -0.339 60.955 61.300 -0.009 0.000 1.374 297 I CB 0.811 38.823 38.000 0.020 0.000 1.423 297 I HN 0.219 nan 8.210 nan 0.000 0.549 298 T N 1.731 116.284 114.554 -0.002 0.000 2.716 298 T HA 0.435 4.785 4.350 0.001 0.000 0.286 298 T C 0.545 175.251 174.700 0.010 0.000 1.052 298 T CA -0.837 61.262 62.100 -0.002 0.000 1.024 298 T CB 1.710 70.571 68.868 -0.011 0.000 1.349 298 T HN 0.633 nan 8.240 nan 0.000 0.525 299 K N 0.260 120.665 120.400 0.008 0.000 2.504 299 K HA 0.010 4.331 4.320 0.001 0.000 0.195 299 K C 1.823 178.433 176.600 0.017 0.000 1.036 299 K CA 0.647 56.942 56.287 0.012 0.000 0.984 299 K CB 0.052 32.556 32.500 0.008 0.000 0.788 299 K HN 0.431 nan 8.250 nan 0.000 0.488 300 Q N -0.099 119.710 119.800 0.016 0.000 2.339 300 Q HA 0.036 4.377 4.340 0.001 0.000 0.205 300 Q C 0.482 176.507 176.000 0.041 0.000 0.925 300 Q CA 0.438 56.253 55.803 0.020 0.000 0.898 300 Q CB -0.237 28.505 28.738 0.007 0.000 1.013 300 Q HN 0.081 nan 8.270 nan 0.000 0.504 301 T N 4.785 119.368 114.554 0.048 0.000 2.891 301 T HA 0.074 4.424 4.350 0.001 0.000 0.296 301 T C -2.284 172.502 174.700 0.143 0.000 1.025 301 T CA -0.381 61.778 62.100 0.098 0.000 1.149 301 T CB 0.238 69.163 68.868 0.095 0.000 1.007 301 T HN 0.039 nan 8.240 nan 0.000 0.528 302 P HA 0.183 nan 4.420 nan 0.000 0.278 302 P C 0.946 178.368 177.300 0.204 0.000 1.238 302 P CA -0.507 62.721 63.100 0.214 0.000 0.794 302 P CB 0.653 32.513 31.700 0.267 0.000 0.955 303 S N 1.984 117.758 115.700 0.123 0.000 2.413 303 S HA -0.305 4.166 4.470 0.001 0.000 0.237 303 S C 1.750 176.386 174.600 0.060 0.000 1.044 303 S CA 1.356 59.600 58.200 0.074 0.000 1.024 303 S CB -1.569 61.656 63.200 0.043 0.000 0.829 303 S HN 0.478 nan 8.310 nan 0.000 0.475 304 F N 1.185 121.090 119.950 -0.075 0.000 2.051 304 F HA 0.006 4.533 4.527 0.001 0.000 0.296 304 F C 2.084 177.757 175.800 -0.212 0.000 1.122 304 F CA 1.537 59.404 58.000 -0.221 0.000 1.201 304 F CB -0.679 38.073 39.000 -0.413 0.000 0.978 304 F HN 0.197 nan 8.300 nan 0.000 0.472 305 W N 0.584 122.040 121.300 0.259 0.000 2.364 305 W HA -0.138 4.522 4.660 0.001 0.000 0.281 305 W C 2.249 178.759 176.519 -0.014 0.000 1.219 305 W CA 0.831 58.258 57.345 0.137 0.000 1.220 305 W CB -0.361 29.210 29.460 0.186 0.000 1.127 305 W HN 0.080 nan 8.180 nan 0.000 0.556 306 I N -0.433 120.239 120.570 0.171 0.000 2.406 306 I HA -0.243 3.927 4.170 0.001 0.000 0.249 306 I C 2.043 178.146 176.117 -0.023 0.000 1.122 306 I CA 0.999 62.344 61.300 0.075 0.000 1.431 306 I CB -0.484 37.553 38.000 0.062 0.000 1.087 306 I HN -0.052 nan 8.210 nan 0.000 0.424 307 L N 0.472 121.625 121.223 -0.117 0.000 2.201 307 L HA -0.125 4.215 4.340 0.001 0.000 0.212 307 L C 2.802 179.544 176.870 -0.213 0.000 1.105 307 L CA 0.855 55.586 54.840 -0.182 0.000 0.775 307 L CB -0.663 41.237 42.059 -0.265 0.000 0.913 307 L HN 0.218 nan 8.230 nan 0.000 0.440 308 A N 0.619 123.282 122.820 -0.261 0.000 1.845 308 A HA -0.262 4.059 4.320 0.001 0.000 0.215 308 A C 2.363 179.922 177.584 -0.043 0.000 1.195 308 A CA 1.945 53.898 52.037 -0.141 0.000 0.616 308 A CB -0.502 18.497 19.000 -0.002 0.000 0.832 308 A HN 0.287 nan 8.150 nan 0.000 0.443 309 R N 0.141 120.631 120.500 -0.015 0.000 2.080 309 R HA -0.064 4.277 4.340 0.001 0.000 0.236 309 R C 2.188 178.396 176.300 -0.153 0.000 1.137 309 R CA 2.192 58.236 56.100 -0.094 0.000 0.943 309 R CB -1.128 29.155 30.300 -0.028 0.000 0.846 309 R HN 0.405 nan 8.270 nan 0.000 0.431 310 A N 0.396 123.168 122.820 -0.080 0.000 1.971 310 A HA -0.206 4.114 4.320 0.001 0.000 0.222 310 A C 2.114 179.665 177.584 -0.056 0.000 1.182 310 A CA 1.832 53.846 52.037 -0.039 0.000 0.649 310 A CB -0.754 18.247 19.000 0.001 0.000 0.818 310 A HN 0.366 nan 8.150 nan 0.000 0.458 311 L N -0.573 120.599 121.223 -0.084 0.000 2.044 311 L HA -0.085 4.255 4.340 0.001 0.000 0.205 311 L C 2.417 179.208 176.870 -0.130 0.000 1.075 311 L CA 2.450 57.280 54.840 -0.016 0.000 0.747 311 L CB -0.512 41.597 42.059 0.084 0.000 0.903 311 L HN 0.488 nan 8.230 nan 0.000 0.435 312 K N -0.788 119.263 120.400 -0.581 0.000 2.002 312 K HA -0.196 4.125 4.320 0.001 0.000 0.209 312 K C 1.930 178.259 176.600 -0.451 0.000 1.048 312 K CA 1.458 57.171 56.287 -0.956 0.000 0.930 312 K CB -0.021 31.779 32.500 -1.166 0.000 0.714 312 K HN 0.205 nan 8.250 nan 0.000 0.438 313 E N 0.132 120.096 120.200 -0.392 0.000 2.160 313 E HA -0.215 4.135 4.350 0.001 0.000 0.195 313 E C 1.751 178.025 176.600 -0.542 0.000 0.991 313 E CA 0.998 57.120 56.400 -0.464 0.000 0.810 313 E CB -0.318 29.034 29.700 -0.580 0.000 0.742 313 E HN 0.383 nan 8.360 nan 0.000 0.466 314 F N 1.161 120.821 119.950 -0.484 0.000 2.146 314 F HA -0.166 4.361 4.527 0.000 0.000 0.298 314 F C 2.172 177.914 175.800 -0.097 0.000 1.096 314 F CA 0.871 58.754 58.000 -0.194 0.000 1.275 314 F CB -0.178 38.812 39.000 -0.017 0.000 1.008 314 F HN -0.203 nan 8.300 nan 0.000 0.480 315 V N 0.825 120.659 119.914 -0.133 0.000 2.407 315 V HA -0.306 3.815 4.120 0.001 0.000 0.248 315 V C 2.750 178.722 176.094 -0.203 0.000 1.055 315 V CA 1.692 63.914 62.300 -0.130 0.000 1.049 315 V CB -1.755 30.110 31.823 0.071 0.000 0.662 315 V HN 0.494 nan 8.190 nan 0.000 0.455 316 A N -0.252 122.446 122.820 -0.203 0.000 1.845 316 A HA -0.220 4.101 4.320 0.001 0.000 0.215 316 A C 2.177 179.653 177.584 -0.180 0.000 1.195 316 A CA 2.233 54.171 52.037 -0.165 0.000 0.616 316 A CB -0.350 18.551 19.000 -0.165 0.000 0.832 316 A HN 0.528 nan 8.150 nan 0.000 0.443 317 K N -0.495 119.772 120.400 -0.222 0.000 2.260 317 K HA -0.051 4.269 4.320 0.001 0.000 0.191 317 K C 1.758 178.206 176.600 -0.254 0.000 1.076 317 K CA 0.697 56.881 56.287 -0.172 0.000 1.077 317 K CB -0.255 32.209 32.500 -0.061 0.000 1.423 317 K HN 0.416 nan 8.250 nan 0.000 0.462 318 E N 0.350 120.369 120.200 -0.302 0.000 2.515 318 E HA -0.088 4.262 4.350 0.001 0.000 0.201 318 E C 1.451 177.677 176.600 -0.623 0.000 1.071 318 E CA 1.030 57.225 56.400 -0.342 0.000 0.880 318 E CB -0.122 29.492 29.700 -0.143 0.000 0.828 318 E HN 0.619 nan 8.360 nan 0.000 0.540 319 G N 0.685 108.886 108.800 -0.998 0.000 2.426 319 G HA2 -0.196 3.764 3.960 0.001 0.000 0.214 319 G HA3 -0.196 3.764 3.960 0.001 0.000 0.214 319 G C 0.569 175.311 174.900 -0.264 0.000 1.156 319 G CA 0.233 44.836 45.100 -0.829 0.000 0.802 319 G HN 0.317 nan 8.290 nan 0.000 0.534 320 Q N -1.340 118.325 119.800 -0.225 0.000 2.470 320 Q HA -0.182 4.158 4.340 0.001 0.000 0.290 320 Q C 1.228 177.199 176.000 -0.047 0.000 1.353 320 Q CA 0.312 56.054 55.803 -0.103 0.000 0.787 320 Q CB -1.828 26.873 28.738 -0.062 0.000 1.158 320 Q HN 1.228 nan 8.270 nan 0.000 0.426 321 G N -1.089 107.684 108.800 -0.045 0.000 2.234 321 G HA2 -0.292 3.669 3.960 0.001 0.000 0.235 321 G HA3 -0.292 3.669 3.960 0.001 0.000 0.235 321 G C -0.082 174.845 174.900 0.045 0.000 0.997 321 G CA 0.216 45.321 45.100 0.008 0.000 0.623 321 G HN 0.472 nan 8.290 nan 0.000 0.514 322 N N -0.464 118.267 118.700 0.052 0.000 2.312 322 N HA 0.723 5.464 4.740 0.001 0.000 0.296 322 N C 0.158 175.778 175.510 0.183 0.000 1.193 322 N CA -0.944 52.167 53.050 0.100 0.000 0.773 322 N CB 1.567 40.107 38.487 0.089 0.000 1.435 322 N HN 0.200 nan 8.380 nan 0.000 0.484 323 L N 0.684 122.012 121.223 0.176 0.000 2.461 323 L HA 0.264 4.604 4.340 0.001 0.000 0.259 323 L C -1.919 175.090 176.870 0.231 0.000 1.248 323 L CA -1.291 53.676 54.840 0.211 0.000 0.823 323 L CB -0.128 41.965 42.059 0.057 0.000 1.111 323 L HN 0.302 nan 8.230 nan 0.000 0.516 324 P HA 0.027 nan 4.420 nan 0.000 0.268 324 P C -0.731 176.550 177.300 -0.031 0.000 1.205 324 P CA -0.323 62.741 63.100 -0.060 0.000 0.771 324 P CB 0.458 31.923 31.700 -0.391 0.000 0.858 325 V N 4.728 124.630 119.914 -0.020 0.000 2.584 325 V HA -0.107 4.013 4.120 0.001 0.000 0.303 325 V C 2.192 178.271 176.094 -0.025 0.000 1.035 325 V CA 0.592 62.888 62.300 -0.007 0.000 1.172 325 V CB -0.312 31.446 31.823 -0.107 0.000 0.896 325 V HN 0.618 nan 8.190 nan 0.000 0.486 326 R N 3.327 123.832 120.500 0.009 0.000 2.091 326 R HA -0.090 4.250 4.340 0.001 0.000 0.238 326 R C 1.740 178.041 176.300 0.000 0.000 1.136 326 R CA 1.771 57.866 56.100 -0.007 0.000 0.959 326 R CB -0.265 30.044 30.300 0.015 0.000 0.856 326 R HN 1.147 nan 8.270 nan 0.000 0.437 327 G N -0.990 107.836 108.800 0.045 0.000 2.232 327 G HA2 -0.280 3.681 3.960 0.001 0.000 0.226 327 G HA3 -0.280 3.681 3.960 0.001 0.000 0.226 327 G C 0.285 175.198 174.900 0.021 0.000 0.996 327 G CA 0.445 45.577 45.100 0.054 0.000 0.626 327 G HN 0.616 nan 8.290 nan 0.000 0.509 328 T N -0.547 113.983 114.554 -0.040 0.000 2.945 328 T HA 0.797 5.147 4.350 0.001 0.000 0.286 328 T C 0.041 174.604 174.700 -0.229 0.000 1.025 328 T CA -0.195 61.851 62.100 -0.091 0.000 1.039 328 T CB 2.330 71.181 68.868 -0.029 0.000 1.068 328 T HN 1.545 nan 8.240 nan 0.000 0.497 329 I N -1.213 119.218 120.570 -0.230 0.000 2.827 329 I HA 0.665 4.835 4.170 0.001 0.000 0.298 329 I C -2.785 173.270 176.117 -0.103 0.000 1.235 329 I CA -2.740 58.382 61.300 -0.297 0.000 1.021 329 I CB 2.300 39.968 38.000 -0.553 0.000 1.259 329 I HN 0.512 nan 8.210 nan 0.000 0.427 330 P HA 0.135 nan 4.420 nan 0.000 0.275 330 P C -1.115 176.251 177.300 0.111 0.000 1.270 330 P CA 0.095 63.220 63.100 0.042 0.000 0.791 330 P CB 0.648 32.409 31.700 0.102 0.000 1.089 331 D N -0.625 119.833 120.400 0.096 0.000 2.283 331 D HA 0.484 5.124 4.640 0.001 0.000 0.248 331 D C -0.422 175.890 176.300 0.020 0.000 1.072 331 D CA -0.349 53.648 54.000 -0.005 0.000 0.929 331 D CB 0.341 41.072 40.800 -0.115 0.000 1.182 331 D HN 0.354 nan 8.370 nan 0.000 0.433 332 M N 1.297 120.863 119.600 -0.056 0.000 2.365 332 M HA 0.376 4.857 4.480 0.001 0.000 0.287 332 M C -1.001 175.327 176.300 0.046 0.000 1.154 332 M CA -0.962 54.380 55.300 0.070 0.000 0.941 332 M CB 1.323 33.858 32.600 -0.109 0.000 1.704 332 M HN 0.161 nan 8.290 nan 0.000 0.479 333 I N 3.246 123.885 120.570 0.116 0.000 2.943 333 I HA 0.288 4.458 4.170 0.001 0.000 0.296 333 I C 0.428 176.603 176.117 0.096 0.000 1.220 333 I CA 0.959 62.305 61.300 0.077 0.000 1.409 333 I CB -0.247 37.827 38.000 0.123 0.000 1.374 333 I HN 0.861 nan 8.210 nan 0.000 0.545 334 A N 4.854 127.691 122.820 0.028 0.000 2.581 334 A HA 0.339 4.659 4.320 0.001 0.000 0.294 334 A C -0.827 176.755 177.584 -0.004 0.000 1.035 334 A CA -0.883 51.201 52.037 0.079 0.000 0.684 334 A CB 0.851 19.948 19.000 0.161 0.000 1.282 334 A HN 0.605 nan 8.150 nan 0.000 0.417 335 D N 0.909 121.337 120.400 0.047 0.000 2.429 335 D HA 0.192 4.832 4.640 0.001 0.000 0.233 335 D C 1.386 177.722 176.300 0.060 0.000 1.202 335 D CA 1.212 55.224 54.000 0.020 0.000 0.879 335 D CB 0.834 41.731 40.800 0.162 0.000 1.212 335 D HN 0.354 nan 8.370 nan 0.000 0.465 336 S N 1.353 117.076 115.700 0.038 0.000 2.343 336 S HA -0.045 4.426 4.470 0.001 0.000 0.212 336 S C 2.002 176.673 174.600 0.118 0.000 1.033 336 S CA 1.089 59.326 58.200 0.060 0.000 1.004 336 S CB -0.906 62.314 63.200 0.033 0.000 0.977 336 S HN 0.739 nan 8.310 nan 0.000 0.427 337 G N 2.459 111.319 108.800 0.101 0.000 2.545 337 G HA2 -0.295 3.665 3.960 0.001 0.000 0.222 337 G HA3 -0.295 3.665 3.960 0.001 0.000 0.222 337 G C 1.348 176.335 174.900 0.145 0.000 1.126 337 G CA 1.173 46.337 45.100 0.106 0.000 0.754 337 G HN 0.461 nan 8.290 nan 0.000 0.583 338 K N -0.703 119.808 120.400 0.185 0.000 1.984 338 K HA -0.093 4.227 4.320 0.001 0.000 0.209 338 K C 2.231 178.987 176.600 0.260 0.000 1.046 338 K CA 1.256 57.697 56.287 0.256 0.000 0.934 338 K CB -0.561 32.125 32.500 0.311 0.000 0.717 338 K HN 0.360 nan 8.250 nan 0.000 0.438 339 Y N 2.333 122.700 120.300 0.111 0.000 2.139 339 Y HA -0.278 4.272 4.550 0.000 0.000 0.282 339 Y C 2.045 177.979 175.900 0.058 0.000 1.179 339 Y CA 1.526 59.665 58.100 0.065 0.000 1.161 339 Y CB -0.329 38.142 38.460 0.017 0.000 0.970 339 Y HN -0.025 nan 8.280 nan 0.000 0.511 340 I N 0.223 120.921 120.570 0.214 0.000 2.163 340 I HA -0.359 3.811 4.170 0.001 0.000 0.243 340 I C 2.597 178.722 176.117 0.013 0.000 1.085 340 I CA 1.941 63.307 61.300 0.110 0.000 1.347 340 I CB -0.535 37.537 38.000 0.120 0.000 1.044 340 I HN 0.135 nan 8.210 nan 0.000 0.408 341 K N 0.818 121.244 120.400 0.044 0.000 2.002 341 K HA -0.233 4.088 4.320 0.001 0.000 0.209 341 K C 2.219 178.733 176.600 -0.145 0.000 1.048 341 K CA 1.631 57.921 56.287 0.005 0.000 0.930 341 K CB -0.240 32.336 32.500 0.128 0.000 0.714 341 K HN 0.117 nan 8.250 nan 0.000 0.438 342 L N 1.690 122.831 121.223 -0.136 0.000 2.042 342 L HA -0.243 4.097 4.340 0.001 0.000 0.210 342 L C 2.387 179.186 176.870 -0.118 0.000 1.076 342 L CA 1.792 56.490 54.840 -0.237 0.000 0.749 342 L CB -0.545 41.486 42.059 -0.046 0.000 0.893 342 L HN 0.311 nan 8.230 nan 0.000 0.432 343 Q N -0.416 119.255 119.800 -0.215 0.000 2.096 343 Q HA -0.263 4.077 4.340 0.001 0.000 0.204 343 Q C 2.126 178.106 176.000 -0.034 0.000 0.982 343 Q CA 2.310 58.008 55.803 -0.175 0.000 0.850 343 Q CB -0.196 28.401 28.738 -0.234 0.000 0.901 343 Q HN 0.734 nan 8.270 nan 0.000 0.422 344 N N -0.874 117.789 118.700 -0.062 0.000 2.069 344 N HA -0.179 4.561 4.740 0.001 0.000 0.191 344 N C 1.831 177.300 175.510 -0.069 0.000 1.031 344 N CA 1.390 54.409 53.050 -0.052 0.000 0.852 344 N CB 0.028 38.482 38.487 -0.055 0.000 1.018 344 N HN 0.019 nan 8.380 nan 0.000 0.423 345 V N 0.270 120.101 119.914 -0.140 0.000 2.380 345 V HA -0.270 3.850 4.120 0.001 0.000 0.251 345 V C 1.415 177.415 176.094 -0.157 0.000 1.063 345 V CA 1.673 63.857 62.300 -0.194 0.000 1.055 345 V CB -0.711 30.872 31.823 -0.401 0.000 0.657 345 V HN 0.391 nan 8.190 nan 0.000 0.455 346 Y N -0.530 119.742 120.300 -0.048 0.000 2.365 346 Y HA -0.028 4.522 4.550 0.000 0.000 0.293 346 Y C 2.676 178.517 175.900 -0.100 0.000 1.119 346 Y CA 1.395 59.475 58.100 -0.032 0.000 1.203 346 Y CB -0.153 38.291 38.460 -0.027 0.000 1.026 346 Y HN 0.035 nan 8.280 nan 0.000 0.549 347 R N 0.319 120.850 120.500 0.052 0.000 2.090 347 R HA -0.120 4.220 4.340 0.001 0.000 0.228 347 R C 1.934 178.200 176.300 -0.057 0.000 1.110 347 R CA 1.188 57.283 56.100 -0.007 0.000 0.973 347 R CB 0.084 30.379 30.300 -0.009 0.000 0.869 347 R HN 0.185 nan 8.270 nan 0.000 0.440 348 E N 0.692 120.848 120.200 -0.073 0.000 2.072 348 E HA -0.202 4.148 4.350 0.001 0.000 0.191 348 E C 1.763 178.276 176.600 -0.144 0.000 0.985 348 E CA 1.081 57.425 56.400 -0.093 0.000 0.801 348 E CB -0.041 29.610 29.700 -0.083 0.000 0.750 348 E HN 0.084 nan 8.360 nan 0.000 0.452 349 K N 1.390 121.656 120.400 -0.223 0.000 2.026 349 K HA -0.041 4.280 4.320 0.001 0.000 0.208 349 K C 1.967 178.401 176.600 -0.276 0.000 1.048 349 K CA 1.624 57.684 56.287 -0.378 0.000 0.929 349 K CB -0.651 31.341 32.500 -0.846 0.000 0.713 349 K HN 0.032 nan 8.250 nan 0.000 0.439 350 A N 1.130 123.831 122.820 -0.199 0.000 1.892 350 A HA -0.247 4.073 4.320 0.001 0.000 0.218 350 A C 2.144 179.645 177.584 -0.139 0.000 1.188 350 A CA 2.138 54.090 52.037 -0.142 0.000 0.631 350 A CB -0.609 18.344 19.000 -0.078 0.000 0.822 350 A HN 0.407 nan 8.150 nan 0.000 0.447 351 K N -0.363 119.966 120.400 -0.118 0.000 2.009 351 K HA -0.186 4.134 4.320 0.001 0.000 0.210 351 K C 2.173 178.707 176.600 -0.111 0.000 1.049 351 K CA 1.886 58.111 56.287 -0.104 0.000 0.929 351 K CB -0.218 32.232 32.500 -0.083 0.000 0.714 351 K HN 0.494 nan 8.250 nan 0.000 0.440 352 K N 0.685 121.016 120.400 -0.115 0.000 2.009 352 K HA -0.193 4.128 4.320 0.001 0.000 0.210 352 K C 1.816 178.363 176.600 -0.090 0.000 1.049 352 K CA 2.074 58.304 56.287 -0.094 0.000 0.929 352 K CB -0.210 32.232 32.500 -0.096 0.000 0.714 352 K HN 0.129 nan 8.250 nan 0.000 0.440 353 D N 0.439 120.766 120.400 -0.121 0.000 2.123 353 D HA -0.141 4.499 4.640 0.001 0.000 0.196 353 D C 1.807 177.918 176.300 -0.316 0.000 0.992 353 D CA 1.400 55.295 54.000 -0.176 0.000 0.833 353 D CB -0.132 40.540 40.800 -0.214 0.000 0.954 353 D HN 0.268 nan 8.370 nan 0.000 0.455 354 A N 0.697 123.373 122.820 -0.241 0.000 1.933 354 A HA -0.062 4.258 4.320 0.001 0.000 0.218 354 A C 2.262 179.744 177.584 -0.170 0.000 1.175 354 A CA 2.085 53.989 52.037 -0.220 0.000 0.628 354 A CB -0.897 18.008 19.000 -0.159 0.000 0.814 354 A HN 0.240 nan 8.150 nan 0.000 0.444 355 A N 0.031 122.774 122.820 -0.128 0.000 1.865 355 A HA 0.091 4.411 4.320 0.001 0.000 0.217 355 A C 2.566 180.093 177.584 -0.094 0.000 1.191 355 A CA 2.480 54.460 52.037 -0.096 0.000 0.623 355 A CB -1.255 17.700 19.000 -0.075 0.000 0.826 355 A HN 1.144 nan 8.150 nan 0.000 0.444 356 A N -0.471 122.308 122.820 -0.069 0.000 1.873 356 A HA -0.096 4.225 4.320 0.001 0.000 0.218 356 A C 2.257 179.831 177.584 -0.018 0.000 1.193 356 A CA 2.277 54.311 52.037 -0.006 0.000 0.629 356 A CB -1.294 17.862 19.000 0.260 0.000 0.826 356 A HN 0.560 nan 8.150 nan 0.000 0.447 357 V N 0.112 119.967 119.914 -0.098 0.000 2.252 357 V HA -0.265 3.855 4.120 0.001 0.000 0.249 357 V C 2.849 178.934 176.094 -0.014 0.000 1.056 357 V CA 2.198 64.471 62.300 -0.045 0.000 1.022 357 V CB -1.835 29.824 31.823 -0.274 0.000 0.641 357 V HN 0.642 nan 8.190 nan 0.000 0.445 358 G N -0.430 108.323 108.800 -0.078 0.000 2.469 358 G HA2 -0.353 3.608 3.960 0.001 0.000 0.219 358 G HA3 -0.353 3.608 3.960 0.001 0.000 0.219 358 G C 1.421 176.288 174.900 -0.056 0.000 1.150 358 G CA 1.314 46.376 45.100 -0.063 0.000 0.763 358 G HN 0.625 nan 8.290 nan 0.000 0.561 359 N N -0.631 118.007 118.700 -0.102 0.000 2.149 359 N HA -0.145 4.596 4.740 0.001 0.000 0.188 359 N C 1.989 177.417 175.510 -0.136 0.000 1.019 359 N CA 0.798 53.761 53.050 -0.145 0.000 0.857 359 N CB -0.116 38.236 38.487 -0.224 0.000 0.997 359 N HN 0.342 nan 8.380 nan 0.000 0.426 360 H N -0.065 119.008 119.070 0.004 0.000 2.363 360 H HA 0.003 4.559 4.556 0.001 0.000 0.301 360 H C 2.313 177.633 175.328 -0.013 0.000 1.074 360 H CA 0.749 56.798 56.048 0.003 0.000 1.354 360 H CB -0.335 29.441 29.762 0.022 0.000 1.397 360 H HN 0.049 nan 8.280 nan 0.000 0.516 361 V N 1.479 121.450 119.914 0.095 0.000 2.282 361 V HA -0.300 3.820 4.120 0.001 0.000 0.249 361 V C 2.853 178.959 176.094 0.020 0.000 1.057 361 V CA 1.785 64.106 62.300 0.034 0.000 1.032 361 V CB -1.127 30.694 31.823 -0.004 0.000 0.645 361 V HN 0.459 nan 8.190 nan 0.000 0.447 362 A N -0.396 122.427 122.820 0.005 0.000 1.865 362 A HA -0.281 4.039 4.320 0.001 0.000 0.217 362 A C 2.312 179.900 177.584 0.006 0.000 1.191 362 A CA 2.295 54.330 52.037 -0.003 0.000 0.623 362 A CB -0.565 18.423 19.000 -0.020 0.000 0.826 362 A HN 0.517 nan 8.150 nan 0.000 0.444 363 K N -1.127 119.281 120.400 0.014 0.000 2.044 363 K HA -0.165 4.155 4.320 0.001 0.000 0.210 363 K C 1.909 178.525 176.600 0.026 0.000 1.049 363 K CA 1.486 57.787 56.287 0.022 0.000 0.927 363 K CB -0.378 32.148 32.500 0.043 0.000 0.713 363 K HN 0.319 nan 8.250 nan 0.000 0.443 364 L N 1.290 122.536 121.223 0.038 0.000 1.990 364 L HA -0.202 4.138 4.340 0.001 0.000 0.213 364 L C 1.980 178.862 176.870 0.021 0.000 1.072 364 L CA 1.627 56.485 54.840 0.030 0.000 0.755 364 L CB -0.607 41.473 42.059 0.034 0.000 0.889 364 L HN 0.212 nan 8.230 nan 0.000 0.432 365 L N -1.422 119.812 121.223 0.018 0.000 2.083 365 L HA -0.264 4.076 4.340 0.001 0.000 0.209 365 L C 2.599 179.475 176.870 0.011 0.000 1.083 365 L CA 1.252 56.100 54.840 0.014 0.000 0.752 365 L CB -0.443 41.622 42.059 0.009 0.000 0.899 365 L HN 0.399 nan 8.230 nan 0.000 0.433 366 Q N -0.564 119.241 119.800 0.008 0.000 2.119 366 Q HA -0.178 4.162 4.340 0.001 0.000 0.201 366 Q C 2.419 178.423 176.000 0.006 0.000 0.972 366 Q CA 1.830 57.636 55.803 0.005 0.000 0.847 366 Q CB -0.127 28.613 28.738 0.003 0.000 0.903 366 Q HN 0.627 nan 8.270 nan 0.000 0.433 367 S N 0.283 115.988 115.700 0.008 0.000 2.447 367 S HA -0.075 4.395 4.470 0.001 0.000 0.233 367 S C 1.752 176.356 174.600 0.006 0.000 1.006 367 S CA 0.714 58.918 58.200 0.007 0.000 0.957 367 S CB -0.238 62.966 63.200 0.007 0.000 0.773 367 S HN 0.295 nan 8.310 nan 0.000 0.507 368 I N 1.380 121.956 120.570 0.009 0.000 3.419 368 I HA 0.187 4.357 4.170 0.001 0.000 0.286 368 I C 1.521 177.643 176.117 0.008 0.000 1.268 368 I CA 0.527 61.833 61.300 0.010 0.000 1.414 368 I CB -0.318 37.692 38.000 0.017 0.000 1.074 368 I HN 0.570 nan 8.210 nan 0.000 0.457 369 G N 1.809 110.613 108.800 0.007 0.000 2.255 369 G HA2 -0.199 3.761 3.960 0.001 0.000 0.239 369 G HA3 -0.199 3.761 3.960 0.001 0.000 0.239 369 G C -0.212 174.691 174.900 0.006 0.000 1.083 369 G CA -0.443 44.660 45.100 0.005 0.000 0.826 369 G HN 0.420 nan 8.290 nan 0.000 0.493 370 Q N -1.016 118.788 119.800 0.006 0.000 2.345 370 Q HA 0.681 5.021 4.340 0.001 0.000 0.275 370 Q C 0.131 176.133 176.000 0.003 0.000 1.063 370 Q CA -0.449 55.357 55.803 0.006 0.000 0.819 370 Q CB 2.208 30.951 28.738 0.009 0.000 1.356 370 Q HN 1.038 nan 8.270 nan 0.000 0.418 371 A N 3.031 125.851 122.820 0.001 0.000 2.522 371 A HA 0.201 4.521 4.320 0.001 0.000 0.256 371 A C -1.756 175.826 177.584 -0.004 0.000 1.086 371 A CA -0.836 51.200 52.037 -0.002 0.000 0.763 371 A CB -0.169 18.829 19.000 -0.003 0.000 1.024 371 A HN 0.537 nan 8.150 nan 0.000 0.502 372 P HA -0.209 nan 4.420 nan 0.000 0.218 372 P C 1.019 178.312 177.300 -0.012 0.000 1.150 372 P CA 1.583 64.678 63.100 -0.009 0.000 0.841 372 P CB 0.325 32.017 31.700 -0.013 0.000 0.784 373 E N -1.110 119.083 120.200 -0.011 0.000 2.512 373 E HA -0.035 4.315 4.350 0.001 0.000 0.195 373 E C 1.851 178.445 176.600 -0.010 0.000 1.083 373 E CA 0.251 56.643 56.400 -0.013 0.000 0.873 373 E CB -1.071 28.622 29.700 -0.012 0.000 0.897 373 E HN 0.004 nan 8.360 nan 0.000 0.514 374 S N -0.672 115.024 115.700 -0.006 0.000 2.382 374 S HA -0.012 4.458 4.470 0.001 0.000 0.228 374 S C 0.808 175.405 174.600 -0.004 0.000 1.027 374 S CA 0.509 58.708 58.200 -0.002 0.000 0.991 374 S CB 0.007 63.209 63.200 0.002 0.000 0.823 374 S HN 0.283 nan 8.310 nan 0.000 0.469 375 I N 2.239 122.803 120.570 -0.009 0.000 2.336 375 I HA 0.225 4.395 4.170 0.001 0.000 0.292 375 I C 0.493 176.596 176.117 -0.022 0.000 0.991 375 I CA -0.640 60.651 61.300 -0.015 0.000 1.227 375 I CB 1.766 39.755 38.000 -0.019 0.000 1.366 375 I HN 0.280 nan 8.210 nan 0.000 0.466 376 S N 4.061 119.747 115.700 -0.024 0.000 2.587 376 S HA 0.007 4.477 4.470 0.001 0.000 0.260 376 S C 0.997 175.574 174.600 -0.039 0.000 1.353 376 S CA -0.168 58.014 58.200 -0.029 0.000 0.995 376 S CB 1.128 64.312 63.200 -0.027 0.000 0.912 376 S HN 0.801 nan 8.310 nan 0.000 0.568 377 E N 0.740 120.915 120.200 -0.040 0.000 2.216 377 E HA -0.054 4.297 4.350 0.001 0.000 0.192 377 E C 1.502 178.068 176.600 -0.057 0.000 0.988 377 E CA 0.646 57.017 56.400 -0.049 0.000 0.834 377 E CB -0.111 29.563 29.700 -0.043 0.000 0.772 377 E HN 0.739 nan 8.360 nan 0.000 0.479 378 K N 0.239 120.607 120.400 -0.054 0.000 2.432 378 K HA -0.027 4.293 4.320 0.001 0.000 0.196 378 K C 1.715 178.270 176.600 -0.076 0.000 1.038 378 K CA 0.643 56.891 56.287 -0.066 0.000 0.986 378 K CB 0.192 32.655 32.500 -0.062 0.000 0.782 378 K HN 0.211 nan 8.250 nan 0.000 0.485 379 E N 0.825 120.985 120.200 -0.066 0.000 2.060 379 E HA -0.109 4.241 4.350 0.001 0.000 0.189 379 E C 1.905 178.457 176.600 -0.081 0.000 0.974 379 E CA 0.427 56.786 56.400 -0.067 0.000 0.808 379 E CB 0.034 29.703 29.700 -0.052 0.000 0.768 379 E HN 0.059 nan 8.360 nan 0.000 0.453 380 L N 1.787 122.963 121.223 -0.080 0.000 2.046 380 L HA -0.174 4.167 4.340 0.001 0.000 0.208 380 L C 1.922 178.731 176.870 -0.103 0.000 1.077 380 L CA 1.710 56.493 54.840 -0.094 0.000 0.747 380 L CB -0.155 41.851 42.059 -0.087 0.000 0.896 380 L HN -0.122 nan 8.230 nan 0.000 0.432 381 K N -0.553 119.792 120.400 -0.092 0.000 2.063 381 K HA -0.173 4.147 4.320 0.001 0.000 0.208 381 K C 2.117 178.661 176.600 -0.093 0.000 1.048 381 K CA 1.549 57.782 56.287 -0.091 0.000 0.928 381 K CB -0.914 31.538 32.500 -0.080 0.000 0.713 381 K HN 0.284 nan 8.250 nan 0.000 0.442 382 L N 1.151 122.317 121.223 -0.094 0.000 2.005 382 L HA -0.069 4.272 4.340 0.001 0.000 0.207 382 L C 2.340 179.156 176.870 -0.090 0.000 1.072 382 L CA 1.138 55.923 54.840 -0.092 0.000 0.744 382 L CB -0.750 41.249 42.059 -0.101 0.000 0.895 382 L HN 0.111 nan 8.230 nan 0.000 0.433 383 L N -1.185 119.976 121.223 -0.103 0.000 2.129 383 L HA -0.294 4.046 4.340 0.001 0.000 0.212 383 L C 2.314 179.106 176.870 -0.131 0.000 1.087 383 L CA 2.021 56.788 54.840 -0.122 0.000 0.757 383 L CB -0.489 41.482 42.059 -0.147 0.000 0.896 383 L HN 0.392 nan 8.230 nan 0.000 0.434 384 C N -0.822 118.398 119.300 -0.134 0.000 2.492 384 C HA -0.001 4.459 4.460 0.001 0.000 0.279 384 C C 2.922 177.838 174.990 -0.123 0.000 1.335 384 C CA 0.769 59.695 59.018 -0.154 0.000 1.734 384 C CB -0.959 26.673 27.740 -0.180 0.000 2.027 384 C HN 0.779 nan 8.230 nan 0.000 0.496 385 S N 0.847 116.497 115.700 -0.083 0.000 2.522 385 S HA -0.014 4.456 4.470 0.001 0.000 0.227 385 S C 0.780 175.388 174.600 0.014 0.000 0.986 385 S CA 0.966 59.145 58.200 -0.036 0.000 0.929 385 S CB -0.445 62.744 63.200 -0.019 0.000 0.769 385 S HN 0.646 nan 8.310 nan 0.000 0.529 386 N N 0.883 119.571 118.700 -0.019 0.000 2.238 386 N HA 0.202 4.942 4.740 0.001 0.000 0.235 386 N C 1.233 176.661 175.510 -0.135 0.000 1.209 386 N CA 0.495 53.574 53.050 0.048 0.000 0.879 386 N CB 0.649 39.189 38.487 0.087 0.000 1.136 386 N HN 0.444 nan 8.380 nan 0.000 0.517 387 S N -0.371 115.211 115.700 -0.196 0.000 2.402 387 S HA -0.191 4.279 4.470 0.001 0.000 0.233 387 S C 1.908 176.331 174.600 -0.294 0.000 1.030 387 S CA 1.128 59.207 58.200 -0.202 0.000 1.003 387 S CB -0.266 62.838 63.200 -0.160 0.000 0.813 387 S HN 0.307 nan 8.310 nan 0.000 0.477 388 A N 0.114 122.604 122.820 -0.550 0.000 2.169 388 A HA 0.446 4.766 4.320 0.001 0.000 0.212 388 A C 1.185 178.338 177.584 -0.720 0.000 1.153 388 A CA 0.135 51.744 52.037 -0.713 0.000 0.756 388 A CB -0.502 17.933 19.000 -0.942 0.000 0.813 388 A HN 0.611 nan 8.150 nan 0.000 0.471 389 F N -0.243 119.678 119.950 -0.048 0.000 2.683 389 F HA 0.362 4.890 4.527 0.000 0.000 0.306 389 F C 0.190 175.971 175.800 -0.031 0.000 1.102 389 F CA -0.697 57.281 58.000 -0.037 0.000 1.244 389 F CB -0.007 38.968 39.000 -0.042 0.000 1.029 389 F HN -0.089 nan 8.300 nan 0.000 0.545 390 L N 2.435 123.689 121.223 0.051 0.000 2.506 390 L HA 0.190 4.531 4.340 0.001 0.000 0.281 390 L C 0.301 177.224 176.870 0.088 0.000 1.228 390 L CA 0.236 55.120 54.840 0.072 0.000 0.850 390 L CB 0.116 42.185 42.059 0.016 0.000 1.110 390 L HN 0.144 nan 8.230 nan 0.000 0.496 391 R N 1.906 122.460 120.500 0.090 0.000 2.740 391 R HA 0.735 5.075 4.340 0.001 0.000 0.273 391 R C -1.478 174.805 176.300 -0.029 0.000 0.998 391 R CA -0.801 55.330 56.100 0.051 0.000 0.900 391 R CB 2.287 32.623 30.300 0.061 0.000 1.223 391 R HN 0.337 nan 8.270 nan 0.000 0.466 392 V N 1.528 121.427 119.914 -0.024 0.000 2.668 392 V HA 0.415 4.535 4.120 0.001 0.000 0.304 392 V C -0.698 175.397 176.094 0.001 0.000 1.071 392 V CA -0.851 61.390 62.300 -0.098 0.000 0.894 392 V CB 2.462 34.252 31.823 -0.055 0.000 1.008 392 V HN 0.439 nan 8.190 nan 0.000 0.425 393 V N 5.540 125.458 119.914 0.008 0.000 2.349 393 V HA 0.512 4.632 4.120 0.001 0.000 0.284 393 V C 0.080 176.211 176.094 0.061 0.000 1.014 393 V CA -0.669 61.661 62.300 0.049 0.000 0.826 393 V CB 1.518 33.376 31.823 0.059 0.000 1.009 393 V HN 0.794 nan 8.190 nan 0.000 0.431 394 R N 2.821 123.364 120.500 0.072 0.000 2.428 394 R HA 0.654 4.994 4.340 0.001 0.000 0.294 394 R C -1.050 175.303 176.300 0.088 0.000 1.000 394 R CA -0.473 55.684 56.100 0.095 0.000 0.960 394 R CB 1.751 32.121 30.300 0.117 0.000 1.076 394 R HN 0.590 nan 8.270 nan 0.000 0.475 395 C N 2.144 121.519 119.300 0.125 0.000 2.417 395 C HA 0.416 4.876 4.460 0.001 0.000 0.324 395 C C 0.606 175.691 174.990 0.158 0.000 1.240 395 C CA -0.897 58.186 59.018 0.107 0.000 1.632 395 C CB 1.172 28.959 27.740 0.078 0.000 2.241 395 C HN 0.734 nan 8.230 nan 0.000 0.499 396 R N 1.728 122.266 120.500 0.063 0.000 2.590 396 R HA 0.297 4.638 4.340 0.001 0.000 0.274 396 R C 0.790 177.015 176.300 -0.125 0.000 1.061 396 R CA 0.136 56.227 56.100 -0.016 0.000 1.081 396 R CB 0.691 30.981 30.300 -0.016 0.000 0.984 396 R HN 0.962 nan 8.270 nan 0.000 0.448 397 S N 1.963 117.384 115.700 -0.467 0.000 2.587 397 S HA -0.037 4.433 4.470 0.001 0.000 0.260 397 S C 1.064 175.484 174.600 -0.300 0.000 1.353 397 S CA -0.651 57.114 58.200 -0.725 0.000 0.995 397 S CB 0.614 62.945 63.200 -1.449 0.000 0.912 397 S HN 0.592 nan 8.310 nan 0.000 0.568 398 L N 1.272 122.361 121.223 -0.225 0.000 2.240 398 L HA 0.210 4.551 4.340 0.001 0.000 0.211 398 L C 2.506 179.303 176.870 -0.122 0.000 1.106 398 L CA 1.912 56.680 54.840 -0.121 0.000 0.793 398 L CB -1.486 40.488 42.059 -0.142 0.000 0.927 398 L HN 0.932 nan 8.230 nan 0.000 0.446 399 A N -0.740 121.965 122.820 -0.191 0.000 1.902 399 A HA -0.200 4.120 4.320 0.001 0.000 0.217 399 A C 2.150 179.720 177.584 -0.023 0.000 1.181 399 A CA 1.695 53.666 52.037 -0.109 0.000 0.623 399 A CB -0.518 18.380 19.000 -0.170 0.000 0.818 399 A HN 0.552 nan 8.150 nan 0.000 0.443 400 E N -0.654 119.484 120.200 -0.103 0.000 2.012 400 E HA -0.258 4.093 4.350 0.001 0.000 0.197 400 E C 2.093 178.731 176.600 0.063 0.000 1.007 400 E CA 1.341 57.717 56.400 -0.040 0.000 0.816 400 E CB -0.277 29.362 29.700 -0.101 0.000 0.762 400 E HN 0.788 nan 8.360 nan 0.000 0.451 401 E N -0.116 120.136 120.200 0.085 0.000 2.169 401 E HA -0.263 4.087 4.350 0.001 0.000 0.202 401 E C 1.741 178.488 176.600 0.244 0.000 1.016 401 E CA 1.395 57.891 56.400 0.161 0.000 0.817 401 E CB -0.082 29.749 29.700 0.219 0.000 0.736 401 E HN 0.301 nan 8.360 nan 0.000 0.462 402 Y N 0.069 120.410 120.300 0.068 0.000 2.448 402 Y HA 0.217 4.767 4.550 0.000 0.000 0.289 402 Y C 1.434 177.468 175.900 0.223 0.000 1.114 402 Y CA 0.641 58.824 58.100 0.139 0.000 1.235 402 Y CB -0.340 38.187 38.460 0.112 0.000 1.045 402 Y HN 0.020 nan 8.280 nan 0.000 0.554 403 G N 0.362 109.323 108.800 0.267 0.000 2.353 403 G HA2 0.035 3.996 3.960 0.001 0.000 0.239 403 G HA3 0.035 3.996 3.960 0.001 0.000 0.239 403 G C 1.025 176.058 174.900 0.221 0.000 1.295 403 G CA -0.303 44.909 45.100 0.187 0.000 0.884 403 G HN 0.350 nan 8.290 nan 0.000 0.537 404 L N 1.252 122.547 121.223 0.120 0.000 2.079 404 L HA -0.103 4.237 4.340 0.001 0.000 0.210 404 L C 2.114 179.023 176.870 0.065 0.000 1.081 404 L CA 1.392 56.249 54.840 0.029 0.000 0.752 404 L CB -0.128 41.848 42.059 -0.139 0.000 0.896 404 L HN 0.517 nan 8.230 nan 0.000 0.433 405 D N -1.401 119.026 120.400 0.046 0.000 2.271 405 D HA -0.069 4.572 4.640 0.001 0.000 0.206 405 D C 2.034 178.361 176.300 0.046 0.000 0.967 405 D CA 1.634 55.655 54.000 0.034 0.000 0.867 405 D CB 0.056 40.865 40.800 0.015 0.000 0.960 405 D HN 0.403 nan 8.370 nan 0.000 0.509 406 T N -0.373 114.216 114.554 0.059 0.000 3.081 406 T HA 0.112 4.462 4.350 0.001 0.000 0.255 406 T C 1.339 176.072 174.700 0.055 0.000 1.113 406 T CA -0.385 61.744 62.100 0.047 0.000 1.082 406 T CB 0.262 69.150 68.868 0.034 0.000 0.939 406 T HN 0.080 nan 8.240 nan 0.000 0.506 407 I N 2.865 123.488 120.570 0.088 0.000 2.948 407 I HA -0.070 4.100 4.170 0.001 0.000 0.303 407 I C 0.259 176.389 176.117 0.021 0.000 1.224 407 I CA 0.260 61.593 61.300 0.055 0.000 1.442 407 I CB 0.406 38.447 38.000 0.067 0.000 1.328 407 I HN 0.101 nan 8.210 nan 0.000 0.578 408 N N 7.540 126.237 118.700 -0.005 0.000 3.124 408 N HA 0.055 4.796 4.740 0.001 0.000 0.284 408 N C 0.623 176.117 175.510 -0.027 0.000 1.209 408 N CA 0.023 53.068 53.050 -0.009 0.000 1.149 408 N CB 0.399 38.880 38.487 -0.010 0.000 1.434 408 N HN 0.620 nan 8.380 nan 0.000 0.529 409 K N 0.544 120.932 120.400 -0.019 0.000 2.009 409 K HA -0.145 4.176 4.320 0.001 0.000 0.210 409 K C 0.900 177.483 176.600 -0.029 0.000 1.049 409 K CA 1.240 57.508 56.287 -0.031 0.000 0.929 409 K CB 0.136 32.625 32.500 -0.018 0.000 0.714 409 K HN 0.383 nan 8.250 nan 0.000 0.440 410 D N 0.905 121.297 120.400 -0.013 0.000 2.160 410 D HA -0.250 4.390 4.640 0.001 0.000 0.189 410 D C 1.913 178.208 176.300 -0.008 0.000 1.003 410 D CA 1.666 55.663 54.000 -0.006 0.000 0.846 410 D CB -0.317 40.486 40.800 0.006 0.000 0.949 410 D HN 0.239 nan 8.370 nan 0.000 0.446 411 E N 1.020 121.217 120.200 -0.006 0.000 2.048 411 E HA -0.194 4.156 4.350 0.001 0.000 0.202 411 E C 2.285 178.856 176.600 -0.049 0.000 1.021 411 E CA 1.160 57.559 56.400 -0.002 0.000 0.825 411 E CB -0.575 29.126 29.700 0.002 0.000 0.756 411 E HN 0.369 nan 8.360 nan 0.000 0.454 412 I N 0.313 120.829 120.570 -0.090 0.000 2.118 412 I HA -0.299 3.871 4.170 0.001 0.000 0.241 412 I C 2.449 178.515 176.117 -0.085 0.000 1.070 412 I CA 1.566 62.791 61.300 -0.125 0.000 1.327 412 I CB -0.447 37.492 38.000 -0.101 0.000 1.034 412 I HN 0.210 nan 8.210 nan 0.000 0.405 413 I N 0.606 121.142 120.570 -0.056 0.000 2.315 413 I HA -0.225 3.946 4.170 0.001 0.000 0.248 413 I C 2.730 178.835 176.117 -0.021 0.000 1.117 413 I CA 1.460 62.736 61.300 -0.040 0.000 1.404 413 I CB -0.545 37.435 38.000 -0.033 0.000 1.071 413 I HN 0.297 nan 8.210 nan 0.000 0.419 414 S N 0.344 116.039 115.700 -0.008 0.000 2.383 414 S HA -0.115 4.355 4.470 0.001 0.000 0.227 414 S C 2.070 176.683 174.600 0.023 0.000 1.026 414 S CA 1.330 59.538 58.200 0.012 0.000 0.981 414 S CB -0.508 62.707 63.200 0.025 0.000 0.818 414 S HN 0.353 nan 8.310 nan 0.000 0.472 415 S N 1.885 117.599 115.700 0.022 0.000 2.371 415 S HA 0.173 4.643 4.470 0.001 0.000 0.224 415 S C 1.729 176.338 174.600 0.016 0.000 1.029 415 S CA 0.939 59.169 58.200 0.050 0.000 0.978 415 S CB -0.385 62.850 63.200 0.059 0.000 0.833 415 S HN 0.305 nan 8.310 nan 0.000 0.466 416 M N 2.152 121.737 119.600 -0.024 0.000 2.706 416 M HA -0.039 4.441 4.480 0.001 0.000 0.251 416 M C 0.710 177.002 176.300 -0.013 0.000 1.070 416 M CA 0.462 55.741 55.300 -0.033 0.000 1.073 416 M CB -1.396 31.171 32.600 -0.055 0.000 1.449 416 M HN 0.176 nan 8.290 nan 0.000 0.531 417 D N 0.298 120.699 120.400 0.003 0.000 2.182 417 D HA -0.114 4.526 4.640 0.001 0.000 0.201 417 D C 0.914 177.223 176.300 0.015 0.000 0.986 417 D CA 0.746 54.752 54.000 0.009 0.000 0.847 417 D CB -0.145 40.665 40.800 0.016 0.000 0.942 417 D HN 0.518 nan 8.370 nan 0.000 0.467 418 N N 0.321 119.034 118.700 0.021 0.000 2.422 418 N HA 0.090 4.831 4.740 0.001 0.000 0.266 418 N C -2.120 173.404 175.510 0.024 0.000 1.007 418 N CA -1.678 51.390 53.050 0.030 0.000 0.941 418 N CB 2.270 40.782 38.487 0.041 0.000 1.115 418 N HN -0.305 nan 8.380 nan 0.000 0.492 419 P HA -0.067 nan 4.420 nan 0.000 0.222 419 P C -0.464 176.866 177.300 0.050 0.000 1.147 419 P CA 1.049 64.174 63.100 0.041 0.000 0.790 419 P CB 0.241 31.991 31.700 0.083 0.000 0.780 420 D N -1.896 118.556 120.400 0.088 0.000 2.427 420 D HA 0.015 4.656 4.640 0.001 0.000 0.224 420 D C 0.182 176.524 176.300 0.070 0.000 1.157 420 D CA 0.035 54.114 54.000 0.132 0.000 0.828 420 D CB -0.597 40.307 40.800 0.173 0.000 0.974 420 D HN 0.174 nan 8.370 nan 0.000 0.498 421 N N 2.340 121.060 118.700 0.032 0.000 2.402 421 N HA -0.056 4.684 4.740 0.001 0.000 0.252 421 N C 1.156 176.709 175.510 0.073 0.000 1.118 421 N CA 0.091 53.182 53.050 0.069 0.000 0.945 421 N CB 0.759 39.294 38.487 0.079 0.000 1.147 421 N HN 0.078 nan 8.380 nan 0.000 0.495 422 E N 2.503 122.772 120.200 0.115 0.000 2.533 422 E HA -0.291 4.060 4.350 0.001 0.000 0.234 422 E C 1.335 178.034 176.600 0.166 0.000 1.163 422 E CA 1.014 57.501 56.400 0.145 0.000 0.894 422 E CB -0.489 29.311 29.700 0.167 0.000 0.761 422 E HN 0.636 nan 8.360 nan 0.000 0.477 423 I N 1.026 121.648 120.570 0.087 0.000 3.001 423 I HA -0.173 3.997 4.170 0.001 0.000 0.268 423 I C 1.988 178.038 176.117 -0.111 0.000 1.267 423 I CA 0.505 61.677 61.300 -0.213 0.000 1.472 423 I CB 0.195 37.848 38.000 -0.579 0.000 1.089 423 I HN -0.046 nan 8.210 nan 0.000 0.468 424 V N 0.215 120.036 119.914 -0.155 0.000 2.307 424 V HA -0.274 3.846 4.120 0.001 0.000 0.245 424 V C 2.402 178.322 176.094 -0.289 0.000 1.045 424 V CA 1.926 64.043 62.300 -0.304 0.000 1.024 424 V CB -1.145 30.302 31.823 -0.627 0.000 0.651 424 V HN 0.364 nan 8.190 nan 0.000 0.449 425 L N -0.956 120.179 121.223 -0.146 0.000 2.129 425 L HA -0.234 4.107 4.340 0.001 0.000 0.212 425 L C 2.582 179.461 176.870 0.016 0.000 1.087 425 L CA 2.120 56.978 54.840 0.030 0.000 0.757 425 L CB -0.813 41.404 42.059 0.264 0.000 0.896 425 L HN 0.447 nan 8.230 nan 0.000 0.434 426 Y N 0.728 120.984 120.300 -0.073 0.000 2.220 426 Y HA -0.157 4.393 4.550 0.001 0.000 0.291 426 Y C 2.270 178.045 175.900 -0.209 0.000 1.129 426 Y CA 1.246 59.304 58.100 -0.070 0.000 1.161 426 Y CB -0.194 38.228 38.460 -0.063 0.000 0.997 426 Y HN -0.029 nan 8.280 nan 0.000 0.522 427 L N -0.777 120.239 121.223 -0.344 0.000 2.017 427 L HA -0.257 4.083 4.340 0.001 0.000 0.208 427 L C 2.455 179.005 176.870 -0.532 0.000 1.073 427 L CA 1.221 55.825 54.840 -0.393 0.000 0.745 427 L CB -0.623 41.347 42.059 -0.149 0.000 0.894 427 L HN 0.240 nan 8.230 nan 0.000 0.432 428 M N -0.549 118.696 119.600 -0.593 0.000 2.213 428 M HA -0.190 4.290 4.480 0.001 0.000 0.263 428 M C 2.344 178.194 176.300 -0.751 0.000 1.062 428 M CA 1.690 56.482 55.300 -0.847 0.000 1.105 428 M CB -0.980 30.624 32.600 -1.659 0.000 1.385 428 M HN 0.257 nan 8.290 nan 0.000 0.417 429 L N -0.611 120.269 121.223 -0.573 0.000 2.093 429 L HA -0.178 4.162 4.340 0.001 0.000 0.208 429 L C 2.700 179.254 176.870 -0.526 0.000 1.085 429 L CA 0.911 55.513 54.840 -0.397 0.000 0.755 429 L CB -0.277 41.627 42.059 -0.258 0.000 0.904 429 L HN 0.216 nan 8.230 nan 0.000 0.435 430 R N -0.452 119.578 120.500 -0.783 0.000 2.090 430 R HA -0.009 4.331 4.340 0.001 0.000 0.228 430 R C 2.204 178.025 176.300 -0.798 0.000 1.110 430 R CA 1.227 56.745 56.100 -0.969 0.000 0.973 430 R CB -0.707 28.575 30.300 -1.698 0.000 0.869 430 R HN 0.325 nan 8.270 nan 0.000 0.440 431 A N 0.666 123.088 122.820 -0.663 0.000 1.930 431 A HA -0.075 4.246 4.320 0.001 0.000 0.217 431 A C 2.443 179.915 177.584 -0.187 0.000 1.175 431 A CA 1.196 53.018 52.037 -0.358 0.000 0.627 431 A CB -0.433 18.401 19.000 -0.275 0.000 0.815 431 A HN 0.076 nan 8.150 nan 0.000 0.443 432 V N 0.489 120.261 119.914 -0.237 0.000 2.270 432 V HA -0.213 3.907 4.120 0.001 0.000 0.245 432 V C 2.172 178.288 176.094 0.038 0.000 1.043 432 V CA 2.250 64.479 62.300 -0.117 0.000 1.014 432 V CB -0.706 30.948 31.823 -0.282 0.000 0.645 432 V HN 0.499 nan 8.190 nan 0.000 0.447 433 D N -0.433 119.947 120.400 -0.033 0.000 2.149 433 D HA -0.198 4.443 4.640 0.001 0.000 0.198 433 D C 2.264 178.608 176.300 0.074 0.000 0.990 433 D CA 1.315 55.359 54.000 0.073 0.000 0.839 433 D CB -0.223 40.580 40.800 0.006 0.000 0.948 433 D HN 0.348 nan 8.370 nan 0.000 0.460 434 R N -0.148 120.349 120.500 -0.006 0.000 2.066 434 R HA -0.136 4.204 4.340 0.001 0.000 0.232 434 R C 2.390 178.740 176.300 0.083 0.000 1.131 434 R CA 0.889 57.000 56.100 0.018 0.000 0.955 434 R CB -0.635 29.658 30.300 -0.012 0.000 0.851 434 R HN 0.182 nan 8.270 nan 0.000 0.432 435 F N 1.092 121.020 119.950 -0.036 0.000 2.161 435 F HA -0.292 4.235 4.527 0.001 0.000 0.300 435 F C 2.272 178.073 175.800 0.003 0.000 1.089 435 F CA 2.155 60.147 58.000 -0.014 0.000 1.282 435 F CB -0.346 38.649 39.000 -0.008 0.000 1.010 435 F HN 0.241 nan 8.300 nan 0.000 0.485 436 H N -0.203 118.966 119.070 0.164 0.000 2.253 436 H HA -0.240 4.316 4.556 0.000 0.000 0.296 436 H C 2.364 177.610 175.328 -0.137 0.000 1.074 436 H CA 1.649 57.645 56.048 -0.085 0.000 1.263 436 H CB -0.067 29.518 29.762 -0.295 0.000 1.363 436 H HN 0.106 nan 8.280 nan 0.000 0.489 437 K N 0.895 121.239 120.400 -0.094 0.000 1.987 437 K HA -0.223 4.097 4.320 0.001 0.000 0.216 437 K C 2.190 178.698 176.600 -0.153 0.000 1.051 437 K CA 1.963 58.144 56.287 -0.178 0.000 0.942 437 K CB -0.555 31.882 32.500 -0.105 0.000 0.722 437 K HN 0.363 nan 8.250 nan 0.000 0.444 438 Q N -0.668 119.047 119.800 -0.142 0.000 2.615 438 Q HA -0.160 4.180 4.340 0.001 0.000 0.220 438 Q C 0.390 176.227 176.000 -0.271 0.000 0.981 438 Q CA 0.974 56.669 55.803 -0.180 0.000 0.939 438 Q CB 0.226 28.863 28.738 -0.169 0.000 0.982 438 Q HN 0.319 nan 8.270 nan 0.000 0.550 439 Q N -3.043 116.593 119.800 -0.273 0.000 1.985 439 Q HA 0.109 4.449 4.340 0.001 0.000 0.221 439 Q C 0.941 176.876 176.000 -0.108 0.000 0.728 439 Q CA 0.749 56.381 55.803 -0.285 0.000 0.882 439 Q CB 1.318 29.669 28.738 -0.644 0.000 1.203 439 Q HN 0.426 nan 8.270 nan 0.000 0.441 440 G N 2.833 111.597 108.800 -0.060 0.000 2.234 440 G HA2 -0.336 3.624 3.960 0.001 0.000 0.260 440 G HA3 -0.336 3.624 3.960 0.001 0.000 0.260 440 G C 0.329 175.314 174.900 0.143 0.000 0.987 440 G CA 0.976 46.076 45.100 0.001 0.000 0.625 440 G HN 0.376 nan 8.290 nan 0.000 0.532 441 R N -1.520 119.082 120.500 0.171 0.000 2.855 441 R HA 0.742 5.082 4.340 0.001 0.000 0.266 441 R C -0.609 175.794 176.300 0.170 0.000 1.034 441 R CA -1.205 54.989 56.100 0.156 0.000 0.944 441 R CB 0.906 31.308 30.300 0.171 0.000 1.219 441 R HN 0.118 nan 8.270 nan 0.000 0.474 442 Y N 0.290 120.683 120.300 0.154 0.000 2.316 442 Y HA 0.352 4.902 4.550 0.001 0.000 0.324 442 Y C -1.837 174.066 175.900 0.005 0.000 1.267 442 Y CA -2.196 55.951 58.100 0.078 0.000 1.311 442 Y CB 1.061 39.528 38.460 0.010 0.000 1.267 442 Y HN 0.422 nan 8.280 nan 0.000 0.516 443 P HA 0.077 nan 4.420 nan 0.000 0.271 443 P C 0.150 177.398 177.300 -0.087 0.000 1.216 443 P CA 0.626 63.491 63.100 -0.391 0.000 0.771 443 P CB 0.532 31.856 31.700 -0.627 0.000 0.864 444 G N 2.385 111.140 108.800 -0.076 0.000 2.379 444 G HA2 -0.292 3.668 3.960 0.001 0.000 0.297 444 G HA3 -0.292 3.668 3.960 0.001 0.000 0.297 444 G C 0.922 175.782 174.900 -0.067 0.000 1.004 444 G CA 0.323 45.382 45.100 -0.068 0.000 0.921 444 G HN 0.407 nan 8.290 nan 0.000 0.511 445 V N -0.468 119.414 119.914 -0.052 0.000 2.626 445 V HA -0.031 4.090 4.120 0.001 0.000 0.252 445 V C 1.808 177.854 176.094 -0.080 0.000 1.067 445 V CA 2.081 64.352 62.300 -0.047 0.000 1.081 445 V CB -0.114 31.710 31.823 0.002 0.000 0.686 445 V HN 0.542 nan 8.190 nan 0.000 0.468 446 S N -0.547 115.057 115.700 -0.161 0.000 2.681 446 S HA 0.297 4.767 4.470 0.001 0.000 0.299 446 S C 0.846 175.338 174.600 -0.179 0.000 1.113 446 S CA -0.535 57.550 58.200 -0.192 0.000 1.013 446 S CB 1.297 64.264 63.200 -0.388 0.000 1.076 446 S HN 0.386 nan 8.310 nan 0.000 0.534 447 N N -0.209 118.454 118.700 -0.062 0.000 2.396 447 N HA -0.109 4.631 4.740 0.001 0.000 0.180 447 N C 1.300 176.831 175.510 0.035 0.000 1.028 447 N CA 0.936 53.984 53.050 -0.003 0.000 0.893 447 N CB -0.099 38.414 38.487 0.045 0.000 0.967 447 N HN 0.768 nan 8.380 nan 0.000 0.440 448 Y N 0.035 120.352 120.300 0.029 0.000 2.448 448 Y HA 0.211 4.762 4.550 0.001 0.000 0.289 448 Y C 1.824 177.750 175.900 0.042 0.000 1.114 448 Y CA 0.202 58.322 58.100 0.032 0.000 1.235 448 Y CB -0.375 38.103 38.460 0.030 0.000 1.045 448 Y HN -0.062 nan 8.280 nan 0.000 0.554 449 Q N 0.695 120.145 119.800 -0.585 0.000 2.224 449 Q HA -0.070 4.271 4.340 0.001 0.000 0.203 449 Q C 2.237 178.184 176.000 -0.088 0.000 0.970 449 Q CA 1.481 57.071 55.803 -0.355 0.000 0.865 449 Q CB -0.121 28.355 28.738 -0.436 0.000 0.922 449 Q HN 0.477 nan 8.270 nan 0.000 0.445 450 V N 1.307 121.179 119.914 -0.069 0.000 2.469 450 V HA -0.299 3.821 4.120 0.001 0.000 0.251 450 V C 2.113 178.227 176.094 0.033 0.000 1.064 450 V CA 1.984 64.278 62.300 -0.010 0.000 1.066 450 V CB -0.652 31.171 31.823 0.000 0.000 0.667 450 V HN 0.364 nan 8.190 nan 0.000 0.461 451 E N 1.205 121.437 120.200 0.054 0.000 2.017 451 E HA -0.292 4.059 4.350 0.001 0.000 0.220 451 E C 2.119 178.761 176.600 0.070 0.000 1.032 451 E CA 2.517 58.962 56.400 0.075 0.000 0.888 451 E CB -0.377 29.385 29.700 0.103 0.000 0.801 451 E HN 0.679 nan 8.360 nan 0.000 0.503 452 E N -0.397 119.853 120.200 0.083 0.000 2.158 452 E HA -0.118 4.232 4.350 0.001 0.000 0.191 452 E C 1.820 178.471 176.600 0.086 0.000 0.982 452 E CA 0.785 57.232 56.400 0.080 0.000 0.823 452 E CB -0.049 29.706 29.700 0.092 0.000 0.766 452 E HN 0.327 nan 8.360 nan 0.000 0.468 453 D N 0.895 121.353 120.400 0.096 0.000 2.228 453 D HA -0.179 4.462 4.640 0.001 0.000 0.203 453 D C 1.720 178.059 176.300 0.066 0.000 0.988 453 D CA 0.862 54.939 54.000 0.127 0.000 0.864 453 D CB -0.108 40.735 40.800 0.072 0.000 0.928 453 D HN 0.252 nan 8.370 nan 0.000 0.469 454 I N 0.220 120.801 120.570 0.018 0.000 2.454 454 I HA -0.160 4.010 4.170 0.001 0.000 0.254 454 I C 2.377 178.470 176.117 -0.041 0.000 1.156 454 I CA 1.133 62.404 61.300 -0.048 0.000 1.433 454 I CB -0.211 37.739 38.000 -0.082 0.000 1.082 454 I HN 0.021 nan 8.210 nan 0.000 0.432 455 G N 0.793 109.599 108.800 0.010 0.000 2.417 455 G HA2 -0.127 3.834 3.960 0.001 0.000 0.212 455 G HA3 -0.127 3.834 3.960 0.001 0.000 0.212 455 G C 1.634 176.567 174.900 0.055 0.000 1.187 455 G CA 0.050 45.160 45.100 0.017 0.000 0.804 455 G HN 0.248 nan 8.290 nan 0.000 0.534 456 K N -0.161 120.303 120.400 0.107 0.000 2.218 456 K HA -0.070 4.251 4.320 0.001 0.000 0.205 456 K C 2.281 179.018 176.600 0.228 0.000 1.046 456 K CA 0.789 57.166 56.287 0.150 0.000 0.933 456 K CB -0.228 32.389 32.500 0.197 0.000 0.728 456 K HN 0.251 nan 8.250 nan 0.000 0.454 457 L N 1.905 123.261 121.223 0.222 0.000 1.961 457 L HA -0.198 4.143 4.340 0.001 0.000 0.210 457 L C 2.309 179.232 176.870 0.088 0.000 1.072 457 L CA 1.881 56.827 54.840 0.176 0.000 0.749 457 L CB -0.507 41.549 42.059 -0.005 0.000 0.889 457 L HN -0.008 nan 8.230 nan 0.000 0.432 458 K N -0.853 119.563 120.400 0.026 0.000 2.127 458 K HA -0.194 4.126 4.320 0.001 0.000 0.208 458 K C 1.968 178.584 176.600 0.027 0.000 1.047 458 K CA 1.759 58.049 56.287 0.006 0.000 0.927 458 K CB -0.226 32.264 32.500 -0.017 0.000 0.716 458 K HN 0.424 nan 8.250 nan 0.000 0.450 459 S N -0.164 115.561 115.700 0.042 0.000 2.402 459 S HA -0.186 4.284 4.470 0.001 0.000 0.233 459 S C 1.960 176.587 174.600 0.045 0.000 1.030 459 S CA 1.342 59.563 58.200 0.034 0.000 1.003 459 S CB -0.354 62.865 63.200 0.031 0.000 0.813 459 S HN 0.489 nan 8.310 nan 0.000 0.477 460 C N 0.361 119.706 119.300 0.073 0.000 2.507 460 C HA 0.271 4.731 4.460 0.001 0.000 0.280 460 C C 2.387 177.437 174.990 0.099 0.000 1.345 460 C CA -0.289 58.782 59.018 0.087 0.000 1.736 460 C CB -1.264 26.553 27.740 0.128 0.000 2.060 460 C HN 0.554 nan 8.230 nan 0.000 0.498 461 L N 1.559 122.821 121.223 0.065 0.000 2.127 461 L HA -0.113 4.227 4.340 0.001 0.000 0.211 461 L C 2.225 179.157 176.870 0.103 0.000 1.089 461 L CA 2.172 57.056 54.840 0.073 0.000 0.757 461 L CB -0.987 41.069 42.059 -0.004 0.000 0.899 461 L HN 0.288 nan 8.230 nan 0.000 0.434 462 T N -0.970 113.617 114.554 0.054 0.000 2.894 462 T HA 0.037 4.387 4.350 0.001 0.000 0.258 462 T C 1.708 176.422 174.700 0.024 0.000 1.043 462 T CA 0.860 62.972 62.100 0.021 0.000 1.141 462 T CB -0.740 68.130 68.868 0.003 0.000 0.873 462 T HN 0.514 nan 8.240 nan 0.000 0.449 463 G N 1.007 109.837 108.800 0.049 0.000 2.450 463 G HA2 -0.203 3.757 3.960 0.001 0.000 0.220 463 G HA3 -0.203 3.757 3.960 0.001 0.000 0.220 463 G C 1.324 176.275 174.900 0.085 0.000 1.130 463 G CA 0.586 45.713 45.100 0.045 0.000 0.760 463 G HN 0.451 nan 8.290 nan 0.000 0.557 464 F N 1.324 121.271 119.950 -0.005 0.000 2.053 464 F HA 0.117 4.644 4.527 0.000 0.000 0.292 464 F C 2.466 178.317 175.800 0.085 0.000 1.125 464 F CA 0.973 58.992 58.000 0.032 0.000 1.193 464 F CB -0.702 38.276 39.000 -0.037 0.000 0.996 464 F HN 0.035 nan 8.300 nan 0.000 0.470 465 L N 0.235 121.223 121.223 -0.392 0.000 2.081 465 L HA -0.289 4.052 4.340 0.001 0.000 0.212 465 L C 2.654 179.376 176.870 -0.247 0.000 1.080 465 L CA 1.971 56.545 54.840 -0.443 0.000 0.754 465 L CB -0.949 40.990 42.059 -0.201 0.000 0.893 465 L HN 0.375 nan 8.230 nan 0.000 0.433 466 Q N 0.220 119.933 119.800 -0.146 0.000 2.046 466 Q HA -0.259 4.081 4.340 0.001 0.000 0.200 466 Q C 2.151 178.070 176.000 -0.136 0.000 0.975 466 Q CA 1.608 57.345 55.803 -0.109 0.000 0.836 466 Q CB -0.021 28.675 28.738 -0.070 0.000 0.896 466 Q HN 0.423 nan 8.270 nan 0.000 0.428 467 E N -1.034 119.071 120.200 -0.158 0.000 2.331 467 E HA -0.199 4.151 4.350 0.001 0.000 0.199 467 E C 0.143 176.459 176.600 -0.474 0.000 1.008 467 E CA 0.899 57.133 56.400 -0.277 0.000 0.843 467 E CB 0.186 29.727 29.700 -0.264 0.000 0.761 467 E HN 0.493 nan 8.360 nan 0.000 0.507 468 Y N -1.166 118.976 120.300 -0.264 0.000 2.641 468 Y HA 0.301 4.851 4.550 0.001 0.000 0.248 468 Y C 0.614 176.392 175.900 -0.204 0.000 1.170 468 Y CA -0.008 57.947 58.100 -0.242 0.000 1.201 468 Y CB 1.344 39.597 38.460 -0.345 0.000 1.232 468 Y HN 0.017 nan 8.280 nan 0.000 0.537 469 G N 2.144 110.897 108.800 -0.077 0.000 2.247 469 G HA2 -0.274 3.686 3.960 0.001 0.000 0.260 469 G HA3 -0.274 3.686 3.960 0.001 0.000 0.260 469 G C -0.657 174.199 174.900 -0.072 0.000 0.852 469 G CA 0.095 45.151 45.100 -0.072 0.000 1.281 469 G HN 0.361 nan 8.290 nan 0.000 0.378 470 L N 1.698 122.857 121.223 -0.107 0.000 2.345 470 L HA 0.433 4.774 4.340 0.001 0.000 0.274 470 L C 0.958 177.774 176.870 -0.090 0.000 0.999 470 L CA -0.517 54.255 54.840 -0.112 0.000 0.849 470 L CB 1.972 43.920 42.059 -0.184 0.000 1.220 470 L HN 0.473 nan 8.230 nan 0.000 0.422 471 S N 2.193 117.854 115.700 -0.065 0.000 3.697 471 S HA 0.328 4.798 4.470 0.001 0.000 0.207 471 S C -0.044 174.528 174.600 -0.047 0.000 1.459 471 S CA -0.700 57.470 58.200 -0.050 0.000 1.122 471 S CB -0.484 62.693 63.200 -0.038 0.000 1.311 471 S HN 0.348 nan 8.310 nan 0.000 0.487 472 V N -0.512 119.368 119.914 -0.056 0.000 2.715 472 V HA 0.639 4.760 4.120 0.001 0.000 0.310 472 V C -0.232 175.835 176.094 -0.045 0.000 1.054 472 V CA -1.304 60.965 62.300 -0.051 0.000 0.928 472 V CB 1.751 33.536 31.823 -0.065 0.000 1.007 472 V HN 0.644 nan 8.190 nan 0.000 0.437 473 M N 4.351 123.930 119.600 -0.034 0.000 2.113 473 M HA 0.603 5.083 4.480 0.001 0.000 0.352 473 M C -1.533 174.751 176.300 -0.027 0.000 1.170 473 M CA -0.372 54.915 55.300 -0.023 0.000 1.053 473 M CB 1.300 33.896 32.600 -0.007 0.000 1.601 473 M HN 0.673 nan 8.290 nan 0.000 0.459 474 V N 6.634 126.534 119.914 -0.024 0.000 2.313 474 V HA 0.303 4.423 4.120 0.001 0.000 0.278 474 V C -0.039 176.085 176.094 0.051 0.000 1.017 474 V CA -0.892 61.393 62.300 -0.026 0.000 0.823 474 V CB 1.240 33.025 31.823 -0.064 0.000 1.010 474 V HN 0.857 nan 8.190 nan 0.000 0.443 475 K N 2.670 123.152 120.400 0.138 0.000 2.518 475 K HA -0.022 4.299 4.320 0.001 0.000 0.276 475 K C 0.293 176.979 176.600 0.142 0.000 0.974 475 K CA 0.217 56.596 56.287 0.154 0.000 0.986 475 K CB 0.681 33.307 32.500 0.211 0.000 0.901 475 K HN 0.589 nan 8.250 nan 0.000 0.497 476 D N 1.093 121.536 120.400 0.071 0.000 2.347 476 D HA -0.083 4.557 4.640 0.001 0.000 0.215 476 D C 0.701 177.029 176.300 0.046 0.000 0.976 476 D CA 0.707 54.721 54.000 0.024 0.000 0.884 476 D CB 0.158 40.949 40.800 -0.015 0.000 0.915 476 D HN 0.430 nan 8.370 nan 0.000 0.526 477 D N -0.236 120.203 120.400 0.066 0.000 2.221 477 D HA -0.166 4.474 4.640 0.001 0.000 0.204 477 D C 1.296 177.538 176.300 -0.097 0.000 0.982 477 D CA 0.937 54.939 54.000 0.003 0.000 0.857 477 D CB 0.039 40.753 40.800 -0.144 0.000 0.934 477 D HN 0.401 nan 8.370 nan 0.000 0.475 478 Y N 0.700 121.018 120.300 0.031 0.000 2.286 478 Y HA -0.116 4.435 4.550 0.000 0.000 0.293 478 Y C 2.589 178.491 175.900 0.004 0.000 1.124 478 Y CA 0.181 58.299 58.100 0.030 0.000 1.178 478 Y CB -0.399 38.039 38.460 -0.036 0.000 1.010 478 Y HN -0.198 nan 8.280 nan 0.000 0.536 479 V N -0.152 119.804 119.914 0.070 0.000 2.380 479 V HA -0.356 3.764 4.120 0.001 0.000 0.251 479 V C 2.176 178.240 176.094 -0.050 0.000 1.063 479 V CA 2.091 64.367 62.300 -0.041 0.000 1.055 479 V CB -0.724 31.029 31.823 -0.117 0.000 0.657 479 V HN 0.489 nan 8.190 nan 0.000 0.455 480 H N -0.018 119.034 119.070 -0.030 0.000 2.269 480 H HA -0.156 4.400 4.556 0.000 0.000 0.299 480 H C 2.438 177.692 175.328 -0.124 0.000 1.058 480 H CA 2.118 58.126 56.048 -0.067 0.000 1.246 480 H CB -0.382 29.331 29.762 -0.082 0.000 1.376 480 H HN 0.380 nan 8.280 nan 0.000 0.503 481 E N 0.614 120.799 120.200 -0.024 0.000 2.119 481 E HA -0.231 4.119 4.350 0.001 0.000 0.221 481 E C 2.103 178.252 176.600 -0.751 0.000 1.062 481 E CA 1.521 57.703 56.400 -0.363 0.000 0.894 481 E CB -0.741 28.771 29.700 -0.314 0.000 0.785 481 E HN 0.272 nan 8.360 nan 0.000 0.472 482 F N -0.789 118.803 119.950 -0.598 0.000 2.449 482 F HA -0.170 4.357 4.527 0.000 0.000 0.299 482 F C 2.311 178.033 175.800 -0.129 0.000 1.092 482 F CA 0.702 58.480 58.000 -0.371 0.000 1.446 482 F CB -0.167 38.769 39.000 -0.107 0.000 1.084 482 F HN 0.189 nan 8.300 nan 0.000 0.567 483 C N -1.601 117.669 119.300 -0.050 0.000 2.525 483 C HA 0.052 4.512 4.460 0.001 0.000 0.291 483 C C 2.832 177.796 174.990 -0.043 0.000 1.351 483 C CA -0.097 58.904 59.018 -0.029 0.000 1.771 483 C CB -0.606 27.116 27.740 -0.029 0.000 2.177 483 C HN 0.406 nan 8.230 nan 0.000 0.510 484 R N 0.080 120.525 120.500 -0.092 0.000 2.105 484 R HA -0.134 4.207 4.340 0.001 0.000 0.239 484 R C 1.946 178.264 176.300 0.030 0.000 1.135 484 R CA 1.723 57.793 56.100 -0.049 0.000 0.967 484 R CB -0.475 29.779 30.300 -0.077 0.000 0.861 484 R HN 0.666 nan 8.270 nan 0.000 0.442 485 Y N -0.380 119.838 120.300 -0.136 0.000 2.053 485 Y HA -0.179 4.371 4.550 0.001 0.000 0.277 485 Y C 1.669 177.397 175.900 -0.287 0.000 1.159 485 Y CA 0.325 58.269 58.100 -0.260 0.000 1.125 485 Y CB -0.285 37.941 38.460 -0.390 0.000 0.969 485 Y HN 0.477 nan 8.280 nan 0.000 0.492 486 G N 0.003 108.769 108.800 -0.057 0.000 2.272 486 G HA2 -0.110 3.850 3.960 0.001 0.000 0.280 486 G HA3 -0.110 3.850 3.960 0.001 0.000 0.280 486 G C 0.469 175.207 174.900 -0.271 0.000 1.067 486 G CA 0.124 45.155 45.100 -0.114 0.000 0.902 486 G HN 1.240 nan 8.290 nan 0.000 0.500 487 A N -2.958 119.487 122.820 -0.625 0.000 2.799 487 A HA 0.194 4.514 4.320 0.001 0.000 0.287 487 A C 1.619 178.825 177.584 -0.629 0.000 1.484 487 A CA 1.967 53.447 52.037 -0.928 0.000 0.813 487 A CB -1.579 17.126 19.000 -0.491 0.000 1.009 487 A HN 2.603 nan 8.150 nan 0.000 0.545 488 A N -0.321 122.161 122.820 -0.564 0.000 2.354 488 A HA 0.560 4.880 4.320 0.001 0.000 0.269 488 A C 0.546 177.918 177.584 -0.353 0.000 1.109 488 A CA 0.499 52.321 52.037 -0.358 0.000 0.800 488 A CB 0.320 19.156 19.000 -0.273 0.000 1.045 488 A HN 0.807 nan 8.150 nan 0.000 0.489 489 E N 2.720 122.789 120.200 -0.218 0.000 2.731 489 E HA 0.297 4.647 4.350 0.001 0.000 0.220 489 E C -2.521 174.020 176.600 -0.098 0.000 1.087 489 E CA -1.896 54.408 56.400 -0.159 0.000 1.020 489 E CB 0.183 29.824 29.700 -0.098 0.000 1.339 489 E HN 0.394 nan 8.360 nan 0.000 0.444 490 P HA -0.075 nan 4.420 nan 0.000 0.262 490 P C 0.061 177.353 177.300 -0.013 0.000 1.182 490 P CA 0.374 63.433 63.100 -0.070 0.000 0.761 490 P CB 0.603 32.229 31.700 -0.123 0.000 0.795 491 H N 3.061 122.108 119.070 -0.039 0.000 2.319 491 H HA -0.167 4.389 4.556 0.000 0.000 0.299 491 H C 1.756 177.085 175.328 0.002 0.000 1.092 491 H CA 2.821 58.860 56.048 -0.014 0.000 1.302 491 H CB -0.424 29.330 29.762 -0.013 0.000 1.373 491 H HN 0.439 nan 8.280 nan 0.000 0.497 492 T N -1.068 113.484 114.554 -0.003 0.000 2.759 492 T HA -0.148 4.202 4.350 0.001 0.000 0.269 492 T C 2.046 176.742 174.700 -0.006 0.000 1.042 492 T CA 1.467 63.554 62.100 -0.022 0.000 1.140 492 T CB -0.325 68.564 68.868 0.036 0.000 0.864 492 T HN 0.219 nan 8.240 nan 0.000 0.455 493 I N 2.197 122.768 120.570 0.001 0.000 2.353 493 I HA 0.075 4.245 4.170 0.001 0.000 0.248 493 I C 3.077 179.228 176.117 0.057 0.000 1.119 493 I CA 0.883 62.228 61.300 0.075 0.000 1.417 493 I CB -1.746 36.254 38.000 -0.000 0.000 1.078 493 I HN 0.383 nan 8.210 nan 0.000 0.421 494 A N 1.014 123.800 122.820 -0.056 0.000 1.873 494 A HA -0.068 4.253 4.320 0.001 0.000 0.215 494 A C 2.545 180.059 177.584 -0.117 0.000 1.186 494 A CA 1.733 53.724 52.037 -0.076 0.000 0.616 494 A CB -0.802 18.127 19.000 -0.117 0.000 0.823 494 A HN 0.374 nan 8.150 nan 0.000 0.442 495 A N -1.454 121.212 122.820 -0.258 0.000 2.024 495 A HA -0.077 4.243 4.320 0.001 0.000 0.220 495 A C 1.975 179.490 177.584 -0.115 0.000 1.164 495 A CA 1.558 53.458 52.037 -0.228 0.000 0.643 495 A CB -0.690 18.134 19.000 -0.294 0.000 0.806 495 A HN 0.662 nan 8.150 nan 0.000 0.451 496 F N -0.185 119.649 119.950 -0.193 0.000 2.084 496 F HA -0.084 4.443 4.527 0.001 0.000 0.296 496 F C 1.794 177.463 175.800 -0.219 0.000 1.111 496 F CA 1.537 59.388 58.000 -0.249 0.000 1.224 496 F CB -0.176 38.584 39.000 -0.400 0.000 0.991 496 F HN 0.149 nan 8.300 nan 0.000 0.471 497 L N 0.777 122.065 121.223 0.108 0.000 2.131 497 L HA -0.072 4.268 4.340 0.001 0.000 0.210 497 L C 2.727 179.534 176.870 -0.105 0.000 1.092 497 L CA 1.771 56.632 54.840 0.034 0.000 0.759 497 L CB -1.694 40.430 42.059 0.107 0.000 0.903 497 L HN 0.308 nan 8.230 nan 0.000 0.435 498 G N -0.874 107.861 108.800 -0.109 0.000 2.514 498 G HA2 -0.262 3.698 3.960 0.001 0.000 0.217 498 G HA3 -0.262 3.698 3.960 0.001 0.000 0.217 498 G C 1.632 176.426 174.900 -0.175 0.000 1.198 498 G CA 0.821 45.847 45.100 -0.124 0.000 0.780 498 G HN 0.504 nan 8.290 nan 0.000 0.565 499 G N 0.891 109.544 108.800 -0.245 0.000 2.404 499 G HA2 0.083 4.043 3.960 0.001 0.000 0.215 499 G HA3 0.083 4.043 3.960 0.001 0.000 0.215 499 G C 2.088 176.791 174.900 -0.328 0.000 1.174 499 G CA 1.608 46.542 45.100 -0.277 0.000 0.780 499 G HN 0.703 nan 8.290 nan 0.000 0.537 500 A N 1.188 123.736 122.820 -0.455 0.000 1.877 500 A HA 0.264 4.584 4.320 0.001 0.000 0.216 500 A C 2.820 180.197 177.584 -0.345 0.000 1.186 500 A CA 2.353 54.102 52.037 -0.480 0.000 0.620 500 A CB -0.866 17.770 19.000 -0.605 0.000 0.822 500 A HN 0.754 nan 8.150 nan 0.000 0.443 501 A N -0.033 122.638 122.820 -0.248 0.000 1.845 501 A HA 0.145 4.465 4.320 0.001 0.000 0.215 501 A C 2.574 180.081 177.584 -0.128 0.000 1.195 501 A CA 2.417 54.362 52.037 -0.153 0.000 0.616 501 A CB -1.357 17.591 19.000 -0.086 0.000 0.832 501 A HN 1.228 nan 8.150 nan 0.000 0.443 502 A N -1.069 121.672 122.820 -0.131 0.000 1.940 502 A HA -0.324 3.996 4.320 0.001 0.000 0.221 502 A C 2.151 179.667 177.584 -0.113 0.000 1.190 502 A CA 2.594 54.564 52.037 -0.113 0.000 0.647 502 A CB -0.614 18.320 19.000 -0.110 0.000 0.821 502 A HN 0.575 nan 8.150 nan 0.000 0.457 503 Q N -0.451 119.266 119.800 -0.138 0.000 2.119 503 Q HA -0.143 4.197 4.340 0.001 0.000 0.201 503 Q C 1.840 177.774 176.000 -0.109 0.000 0.972 503 Q CA 1.873 57.599 55.803 -0.128 0.000 0.847 503 Q CB -0.259 28.373 28.738 -0.177 0.000 0.903 503 Q HN 0.651 nan 8.270 nan 0.000 0.433 504 E N -0.520 119.621 120.200 -0.099 0.000 2.077 504 E HA -0.111 4.239 4.350 0.001 0.000 0.193 504 E C 2.101 178.671 176.600 -0.049 0.000 0.989 504 E CA 1.230 57.614 56.400 -0.027 0.000 0.800 504 E CB -0.472 29.273 29.700 0.076 0.000 0.746 504 E HN 0.253 nan 8.360 nan 0.000 0.452 505 V N 1.799 121.675 119.914 -0.063 0.000 2.255 505 V HA -0.262 3.858 4.120 0.001 0.000 0.247 505 V C 2.462 178.496 176.094 -0.100 0.000 1.051 505 V CA 1.677 63.932 62.300 -0.074 0.000 1.018 505 V CB -0.504 31.278 31.823 -0.069 0.000 0.641 505 V HN 0.211 nan 8.190 nan 0.000 0.445 506 I N -0.657 119.833 120.570 -0.132 0.000 2.335 506 I HA -0.283 3.887 4.170 0.001 0.000 0.251 506 I C 2.538 178.577 176.117 -0.129 0.000 1.129 506 I CA 1.576 62.748 61.300 -0.215 0.000 1.402 506 I CB -0.446 37.353 38.000 -0.335 0.000 1.069 506 I HN 0.277 nan 8.210 nan 0.000 0.424 507 K N 0.867 121.244 120.400 -0.038 0.000 2.063 507 K HA -0.161 4.159 4.320 0.001 0.000 0.208 507 K C 2.029 178.661 176.600 0.054 0.000 1.048 507 K CA 1.490 57.831 56.287 0.090 0.000 0.928 507 K CB -0.099 32.450 32.500 0.081 0.000 0.713 507 K HN 0.285 nan 8.250 nan 0.000 0.442 508 I N 0.632 121.154 120.570 -0.080 0.000 2.133 508 I HA -0.268 3.902 4.170 0.001 0.000 0.238 508 I C 2.162 178.292 176.117 0.022 0.000 1.074 508 I CA 1.200 62.421 61.300 -0.131 0.000 1.342 508 I CB -0.286 37.602 38.000 -0.187 0.000 1.053 508 I HN 0.100 nan 8.210 nan 0.000 0.404 509 I N 0.865 121.412 120.570 -0.039 0.000 2.315 509 I HA -0.294 3.876 4.170 0.001 0.000 0.251 509 I C 2.318 178.406 176.117 -0.050 0.000 1.125 509 I CA 2.067 63.340 61.300 -0.046 0.000 1.392 509 I CB -0.553 37.389 38.000 -0.097 0.000 1.065 509 I HN 0.470 nan 8.210 nan 0.000 0.424 510 T N -3.643 110.878 114.554 -0.056 0.000 3.040 510 T HA 0.155 4.506 4.350 0.001 0.000 0.250 510 T C 0.819 175.540 174.700 0.036 0.000 1.058 510 T CA -0.375 61.692 62.100 -0.054 0.000 0.988 510 T CB 0.037 68.823 68.868 -0.137 0.000 0.993 510 T HN 0.199 nan 8.240 nan 0.000 0.519 511 K N 0.919 121.391 120.400 0.121 0.000 3.071 511 K HA -0.249 4.072 4.320 0.001 0.000 0.262 511 K C 0.607 177.252 176.600 0.075 0.000 0.977 511 K CA 0.818 57.188 56.287 0.138 0.000 0.721 511 K CB -1.441 31.054 32.500 -0.009 0.000 1.293 511 K HN 0.582 nan 8.250 nan 0.000 0.475 512 Q N -0.510 119.363 119.800 0.123 0.000 2.149 512 Q HA 0.289 4.629 4.340 0.001 0.000 0.221 512 Q C -0.685 175.164 176.000 -0.252 0.000 0.807 512 Q CA -0.174 55.618 55.803 -0.018 0.000 1.000 512 Q CB 0.596 29.332 28.738 -0.004 0.000 1.157 512 Q HN 0.282 nan 8.270 nan 0.000 0.487 513 F N -1.736 118.325 119.950 0.184 0.000 2.789 513 F HA 0.415 4.943 4.527 0.001 0.000 0.319 513 F C -0.750 175.131 175.800 0.136 0.000 1.168 513 F CA -1.124 56.976 58.000 0.167 0.000 0.934 513 F CB 1.221 40.289 39.000 0.114 0.000 1.375 513 F HN -0.435 nan 8.300 nan 0.000 0.480 514 V N 3.579 123.682 119.914 0.316 0.000 2.364 514 V HA 0.332 4.453 4.120 0.001 0.000 0.272 514 V C 0.230 176.430 176.094 0.177 0.000 1.036 514 V CA -0.771 61.653 62.300 0.207 0.000 0.880 514 V CB 0.624 32.540 31.823 0.156 0.000 0.991 514 V HN 0.565 nan 8.190 nan 0.000 0.460 515 I N 2.680 123.332 120.570 0.137 0.000 2.882 515 I HA 0.465 4.635 4.170 0.001 0.000 0.286 515 I C 0.394 176.568 176.117 0.095 0.000 1.139 515 I CA -0.429 60.920 61.300 0.082 0.000 1.379 515 I CB 0.469 38.416 38.000 -0.089 0.000 1.410 515 I HN 0.616 nan 8.210 nan 0.000 0.594 516 F N 2.593 122.515 119.950 -0.047 0.000 2.444 516 F HA 0.383 4.910 4.527 0.000 0.000 0.331 516 F C 0.206 176.005 175.800 -0.002 0.000 1.167 516 F CA -0.548 57.433 58.000 -0.033 0.000 1.262 516 F CB -0.010 38.944 39.000 -0.078 0.000 1.196 516 F HN 0.596 nan 8.300 nan 0.000 0.583 517 N N 1.708 120.412 118.700 0.008 0.000 2.434 517 N HA 0.124 4.865 4.740 0.001 0.000 0.266 517 N C 0.752 176.170 175.510 -0.153 0.000 1.223 517 N CA -0.368 52.611 53.050 -0.118 0.000 0.972 517 N CB 0.398 38.887 38.487 0.004 0.000 1.207 517 N HN 0.796 nan 8.380 nan 0.000 0.525 518 N N -0.665 117.949 118.700 -0.143 0.000 1.086 518 N HA -0.271 4.469 4.740 0.001 0.000 0.148 518 N C -0.510 175.026 175.510 0.042 0.000 0.278 518 N CA 1.581 54.590 53.050 -0.067 0.000 1.035 518 N CB -0.965 37.541 38.487 0.031 0.000 1.587 518 N HN 0.521 nan 8.380 nan 0.000 0.467 519 T N 0.147 114.815 114.554 0.191 0.000 2.794 519 T HA 0.393 4.743 4.350 0.001 0.000 0.280 519 T C -0.735 174.177 174.700 0.355 0.000 0.987 519 T CA -0.291 61.959 62.100 0.250 0.000 0.993 519 T CB 1.182 70.128 68.868 0.129 0.000 0.939 519 T HN 0.263 nan 8.240 nan 0.000 0.449 520 Y N 3.853 124.219 120.300 0.110 0.000 2.352 520 Y HA 0.682 5.233 4.550 0.001 0.000 0.339 520 Y C -1.031 174.867 175.900 -0.003 0.000 0.992 520 Y CA -1.366 56.696 58.100 -0.063 0.000 1.100 520 Y CB 0.729 38.925 38.460 -0.442 0.000 1.192 520 Y HN 0.540 nan 8.280 nan 0.000 0.458 521 I N 7.147 127.435 120.570 -0.470 0.000 2.498 521 I HA 0.243 4.414 4.170 0.001 0.000 0.290 521 I C -1.678 174.200 176.117 -0.398 0.000 1.032 521 I CA -1.126 60.051 61.300 -0.205 0.000 1.073 521 I CB 1.967 40.059 38.000 0.153 0.000 1.251 521 I HN 0.594 nan 8.210 nan 0.000 0.426 522 Y N 5.757 125.861 120.300 -0.326 0.000 2.350 522 Y HA 0.526 5.076 4.550 0.001 0.000 0.338 522 Y C -0.565 175.214 175.900 -0.203 0.000 0.961 522 Y CA -0.797 57.099 58.100 -0.339 0.000 1.100 522 Y CB 1.958 40.175 38.460 -0.404 0.000 1.179 522 Y HN 0.483 nan 8.280 nan 0.000 0.454 523 S N 4.093 119.352 115.700 -0.735 0.000 2.448 523 S HA 0.408 4.878 4.470 0.001 0.000 0.320 523 S C 0.958 174.967 174.600 -0.985 0.000 1.071 523 S CA 0.031 57.860 58.200 -0.619 0.000 1.113 523 S CB 0.467 63.534 63.200 -0.221 0.000 0.972 523 S HN 1.117 nan 8.310 nan 0.000 0.465 524 G N 4.355 112.569 108.800 -0.977 0.000 2.484 524 G HA2 -0.091 3.869 3.960 0.001 0.000 0.218 524 G HA3 -0.091 3.869 3.960 0.001 0.000 0.218 524 G C 1.222 175.934 174.900 -0.314 0.000 1.130 524 G CA 0.404 45.091 45.100 -0.689 0.000 0.784 524 G HN 0.719 nan 8.290 nan 0.000 0.543 525 M N 1.334 120.794 119.600 -0.233 0.000 2.175 525 M HA -0.035 4.446 4.480 0.001 0.000 0.264 525 M C 2.638 178.888 176.300 -0.082 0.000 1.063 525 M CA 1.750 56.987 55.300 -0.104 0.000 1.119 525 M CB -0.033 32.549 32.600 -0.030 0.000 1.377 525 M HN 0.384 nan 8.290 nan 0.000 0.415 526 S N -2.156 113.483 115.700 -0.102 0.000 2.520 526 S HA 0.096 4.566 4.470 0.001 0.000 0.219 526 S C 0.579 175.142 174.600 -0.061 0.000 1.028 526 S CA -0.358 57.808 58.200 -0.057 0.000 0.921 526 S CB 0.376 63.559 63.200 -0.027 0.000 0.844 526 S HN 0.432 nan 8.310 nan 0.000 0.495 527 Q N 1.726 121.452 119.800 -0.123 0.000 2.459 527 Q HA -0.111 4.229 4.340 0.001 0.000 0.314 527 Q C -0.454 175.552 176.000 0.009 0.000 1.432 527 Q CA 1.336 57.113 55.803 -0.042 0.000 0.823 527 Q CB -2.600 26.152 28.738 0.023 0.000 1.124 527 Q HN 0.952 nan 8.270 nan 0.000 0.392 528 T N -2.739 111.791 114.554 -0.041 0.000 2.883 528 T HA 0.849 5.199 4.350 0.001 0.000 0.301 528 T C -0.178 174.519 174.700 -0.006 0.000 1.158 528 T CA -0.133 61.971 62.100 0.007 0.000 1.007 528 T CB 2.597 71.460 68.868 -0.008 0.000 1.186 528 T HN 0.435 nan 8.240 nan 0.000 0.499 529 S N -0.246 115.452 115.700 -0.004 0.000 2.579 529 S HA 0.935 5.405 4.470 0.001 0.000 0.272 529 S C -1.134 173.361 174.600 -0.175 0.000 1.141 529 S CA -0.664 57.455 58.200 -0.135 0.000 0.843 529 S CB 1.561 64.701 63.200 -0.101 0.000 1.122 529 S HN 1.924 nan 8.310 nan 0.000 0.468 530 A N 1.011 123.613 122.820 -0.363 0.000 2.574 530 A HA 0.823 5.143 4.320 0.001 0.000 0.297 530 A C -0.495 176.717 177.584 -0.620 0.000 1.062 530 A CA -0.784 51.004 52.037 -0.415 0.000 0.686 530 A CB 1.414 20.143 19.000 -0.451 0.000 1.285 530 A HN 0.886 nan 8.150 nan 0.000 0.403 531 T N 1.190 115.449 114.554 -0.491 0.000 2.929 531 T HA 0.761 5.111 4.350 0.001 0.000 0.284 531 T C -0.741 173.573 174.700 -0.643 0.000 1.014 531 T CA 0.124 62.038 62.100 -0.311 0.000 1.051 531 T CB 0.470 69.379 68.868 0.069 0.000 1.028 531 T HN 0.387 nan 8.240 nan 0.000 0.485 532 F N 0.139 120.147 119.950 0.096 0.000 2.664 532 F HA 0.521 5.048 4.527 0.001 0.000 0.329 532 F C 0.337 176.153 175.800 0.027 0.000 1.090 532 F CA -1.196 56.821 58.000 0.028 0.000 0.978 532 F CB 2.009 40.981 39.000 -0.047 0.000 1.378 532 F HN 0.279 nan 8.300 nan 0.000 0.495 533 Q N 2.058 121.996 119.800 0.230 0.000 2.932 533 Q HA 0.462 4.803 4.340 0.001 0.000 0.248 533 Q C -1.238 174.801 176.000 0.065 0.000 0.982 533 Q CA -0.179 55.692 55.803 0.113 0.000 0.730 533 Q CB 1.312 30.104 28.738 0.090 0.000 1.249 533 Q HN 0.440 nan 8.270 nan 0.000 0.476 534 L N 0.000 121.241 121.223 0.030 0.000 2.949 534 L HA 0.000 4.340 4.340 0.001 0.000 0.249 534 L CA 0.000 54.824 54.840 -0.026 0.000 0.813 534 L CB 0.000 41.972 42.059 -0.144 0.000 0.961 534 L HN 0.000 nan 8.230 nan 0.000 0.502