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 1ojd_1_E DATA FIRST_RESID 4 DATA SEQUENCE KCDVVVVGGG ISGMAAAKLL HDSGLNVVVL EARDRVGGRT YTLRNQKVKY DATA SEQUENCE VDLGGSYVGP TQNRILRLAK ELGLETYKVN EVERLIHHVK GKSYPFRGPF DATA SEQUENCE PPVWNPITYL DHNNFWRTMD DMGREIPSDA PWKAPLAEEW DNMTMKELLD DATA SEQUENCE KLCWTESAKQ LATLFVNLCV TAETHEVSAL WFLWYVKQCG GTTRIISTTN DATA SEQUENCE GGQERKFVGG SGQVSERIMD LLGDRVKLER PVIYIDQTRE NVLVETLNHE DATA SEQUENCE MYEAKYVISA IPPTLGMKIH FNPPLPMMRN QMITRVPLGS VIKCIVYYKE DATA SEQUENCE PFWRKKDYCG TMIIDGEEAP VAYTLDDTKP EGNYAAIMGF ILAHKARKLA DATA SEQUENCE RLTKEERLKK LCELYAKVLG SLEALEPVHY EEKNWCEEQY SGGCYTTYFP DATA SEQUENCE PGILTQYGRV LRQPVDRIYF AGTETATHWS GYMEGAVEAG ERAAREILHA DATA SEQUENCE MGKIPEDEIW QSEPESVDVP AQPITTTFLE RHLPSVPGLL RLIGLTTI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.644 176.600 0.074 0.000 0.988 4 K CA 0.000 56.324 56.287 0.062 0.000 0.838 4 K CB 0.000 32.529 32.500 0.049 0.000 1.064 5 C N 1.249 120.592 119.300 0.072 0.000 2.892 5 C HA 0.281 4.741 4.460 -0.000 0.000 0.360 5 C C 1.099 176.131 174.990 0.070 0.000 1.054 5 C CA -1.109 57.959 59.018 0.083 0.000 1.326 5 C CB 0.534 28.350 27.740 0.125 0.000 1.806 5 C HN 0.767 nan 8.230 nan 0.000 0.490 6 D N 0.919 121.360 120.400 0.068 0.000 2.091 6 D HA -0.030 4.610 4.640 -0.000 0.000 0.199 6 D C 0.566 176.937 176.300 0.118 0.000 0.980 6 D CA 1.655 55.705 54.000 0.082 0.000 0.831 6 D CB 0.501 41.347 40.800 0.077 0.000 0.987 6 D HN 0.437 nan 8.370 nan 0.000 0.460 7 V N 1.503 121.476 119.914 0.099 0.000 2.540 7 V HA 0.254 4.374 4.120 -0.000 0.000 0.302 7 V C 0.002 176.135 176.094 0.065 0.000 1.035 7 V CA -0.722 61.638 62.300 0.101 0.000 0.873 7 V CB 2.600 34.460 31.823 0.063 0.000 0.992 7 V HN -0.227 nan 8.190 nan 0.000 0.428 8 V N 5.543 125.492 119.914 0.058 0.000 2.370 8 V HA 0.364 4.484 4.120 -0.000 0.000 0.279 8 V C -0.057 176.039 176.094 0.002 0.000 1.029 8 V CA -0.435 61.873 62.300 0.013 0.000 0.870 8 V CB 1.886 33.713 31.823 0.005 0.000 0.984 8 V HN 0.632 nan 8.190 nan 0.000 0.451 9 V N 6.635 126.537 119.914 -0.020 0.000 2.364 9 V HA 0.300 4.420 4.120 -0.000 0.000 0.272 9 V C 0.083 176.157 176.094 -0.034 0.000 1.036 9 V CA -0.471 61.820 62.300 -0.015 0.000 0.880 9 V CB 1.617 33.433 31.823 -0.011 0.000 0.991 9 V HN 0.607 nan 8.190 nan 0.000 0.460 10 V N 4.350 124.257 119.914 -0.011 0.000 2.461 10 V HA 0.818 4.938 4.120 -0.000 0.000 0.275 10 V C 0.701 176.806 176.094 0.019 0.000 1.047 10 V CA 0.391 62.686 62.300 -0.009 0.000 0.955 10 V CB 0.713 32.549 31.823 0.021 0.000 0.988 10 V HN 1.239 nan 8.190 nan 0.000 0.471 11 G N 3.591 112.392 108.800 0.002 0.000 3.448 11 G HA2 0.146 4.106 3.960 -0.000 0.000 0.685 11 G HA3 0.146 4.106 3.960 -0.000 0.000 0.685 11 G C 0.210 175.116 174.900 0.009 0.000 1.151 11 G CA -0.448 44.667 45.100 0.024 0.000 1.023 11 G HN 1.247 nan 8.290 nan 0.000 0.499 12 G N 0.624 109.425 108.800 0.001 0.000 3.434 12 G HA2 0.611 4.571 3.960 -0.000 0.000 0.258 12 G HA3 0.611 4.571 3.960 -0.000 0.000 0.258 12 G C 1.038 175.949 174.900 0.019 0.000 1.128 12 G CA 1.000 46.098 45.100 -0.003 0.000 0.792 12 G HN 1.292 nan 8.290 nan 0.000 0.539 13 G N 0.142 108.967 108.800 0.041 0.000 2.516 13 G HA2 0.313 4.273 3.960 -0.000 0.000 0.276 13 G HA3 0.313 4.273 3.960 -0.000 0.000 0.276 13 G C 1.142 176.070 174.900 0.047 0.000 1.390 13 G CA -0.646 44.488 45.100 0.056 0.000 1.050 13 G HN 0.087 nan 8.290 nan 0.000 0.519 14 I N -0.634 119.968 120.570 0.054 0.000 2.286 14 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 14 I C 3.024 179.170 176.117 0.048 0.000 1.115 14 I CA 1.472 62.798 61.300 0.044 0.000 1.392 14 I CB -0.128 37.904 38.000 0.053 0.000 1.065 14 I HN 0.460 nan 8.210 nan 0.000 0.418 15 S N 0.632 116.373 115.700 0.068 0.000 2.348 15 S HA -0.132 4.338 4.470 -0.000 0.000 0.221 15 S C 2.142 176.773 174.600 0.053 0.000 1.033 15 S CA 1.652 59.896 58.200 0.073 0.000 1.010 15 S CB -0.677 62.584 63.200 0.102 0.000 0.891 15 S HN 0.561 nan 8.310 nan 0.000 0.442 16 G N 2.065 110.895 108.800 0.050 0.000 2.476 16 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 16 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 16 G C 1.475 176.383 174.900 0.013 0.000 1.164 16 G CA 1.309 46.427 45.100 0.031 0.000 0.768 16 G HN 0.418 nan 8.290 nan 0.000 0.560 17 M N 1.177 120.782 119.600 0.009 0.000 2.067 17 M HA 0.043 4.523 4.480 -0.000 0.000 0.260 17 M C 3.113 179.411 176.300 -0.005 0.000 1.069 17 M CA 1.372 56.668 55.300 -0.006 0.000 1.117 17 M CB -1.596 30.997 32.600 -0.012 0.000 1.334 17 M HN 0.308 nan 8.290 nan 0.000 0.407 18 A N 0.634 123.457 122.820 0.005 0.000 1.940 18 A HA -0.164 4.156 4.320 -0.000 0.000 0.221 18 A C 2.468 180.055 177.584 0.004 0.000 1.190 18 A CA 2.875 54.916 52.037 0.007 0.000 0.647 18 A CB -1.034 17.979 19.000 0.021 0.000 0.821 18 A HN 0.540 nan 8.150 nan 0.000 0.457 19 A N -0.666 122.157 122.820 0.005 0.000 1.855 19 A HA 0.289 4.608 4.320 -0.000 0.000 0.213 19 A C 2.572 180.155 177.584 -0.001 0.000 1.195 19 A CA 1.958 53.992 52.037 -0.004 0.000 0.610 19 A CB -1.274 17.725 19.000 -0.002 0.000 0.837 19 A HN 1.248 nan 8.150 nan 0.000 0.444 20 A N 0.187 123.007 122.820 0.001 0.000 1.915 20 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 20 A C 2.158 179.760 177.584 0.029 0.000 1.198 20 A CA 2.525 54.566 52.037 0.007 0.000 0.647 20 A CB -0.622 18.371 19.000 -0.012 0.000 0.825 20 A HN 0.596 nan 8.150 nan 0.000 0.456 21 K N -0.850 119.556 120.400 0.011 0.000 2.026 21 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 21 K C 1.993 178.631 176.600 0.064 0.000 1.048 21 K CA 1.589 57.893 56.287 0.030 0.000 0.929 21 K CB -0.331 32.168 32.500 -0.003 0.000 0.713 21 K HN 0.358 nan 8.250 nan 0.000 0.439 22 L N 1.442 122.682 121.223 0.028 0.000 2.042 22 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 22 L C 2.035 178.913 176.870 0.013 0.000 1.076 22 L CA 1.389 56.237 54.840 0.014 0.000 0.749 22 L CB -0.166 41.886 42.059 -0.011 0.000 0.893 22 L HN 0.233 nan 8.230 nan 0.000 0.432 23 L N -1.530 119.702 121.223 0.015 0.000 2.027 23 L HA -0.234 4.106 4.340 -0.000 0.000 0.206 23 L C 2.595 179.484 176.870 0.032 0.000 1.074 23 L CA 1.555 56.398 54.840 0.005 0.000 0.745 23 L CB -0.925 41.133 42.059 -0.002 0.000 0.898 23 L HN 0.393 nan 8.230 nan 0.000 0.433 24 H N 0.355 119.414 119.070 -0.019 0.000 2.352 24 H HA -0.217 4.339 4.556 -0.000 0.000 0.299 24 H C 1.762 177.082 175.328 -0.012 0.000 1.097 24 H CA 2.099 58.140 56.048 -0.012 0.000 1.311 24 H CB 0.051 29.806 29.762 -0.010 0.000 1.377 24 H HN 0.226 nan 8.280 nan 0.000 0.504 25 D N -0.629 119.816 120.400 0.075 0.000 2.263 25 D HA -0.071 4.569 4.640 -0.000 0.000 0.208 25 D C 1.315 177.585 176.300 -0.049 0.000 0.971 25 D CA 1.100 55.110 54.000 0.017 0.000 0.867 25 D CB -0.100 40.730 40.800 0.049 0.000 0.929 25 D HN 0.303 nan 8.370 nan 0.000 0.492 26 S N -0.913 114.756 115.700 -0.052 0.000 2.614 26 S HA 0.339 4.809 4.470 -0.000 0.000 0.230 26 S C 1.285 175.842 174.600 -0.072 0.000 0.952 26 S CA 0.282 58.450 58.200 -0.053 0.000 0.949 26 S CB 0.649 63.825 63.200 -0.040 0.000 0.786 26 S HN 0.373 nan 8.310 nan 0.000 0.478 27 G N 1.661 110.389 108.800 -0.120 0.000 2.176 27 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.252 27 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.252 27 G C -0.141 174.703 174.900 -0.092 0.000 1.024 27 G CA -0.053 44.971 45.100 -0.125 0.000 0.755 27 G HN 0.476 nan 8.290 nan 0.000 0.507 28 L N -0.185 120.989 121.223 -0.081 0.000 2.334 28 L HA 0.485 4.825 4.340 -0.000 0.000 0.272 28 L C 0.023 176.886 176.870 -0.012 0.000 1.020 28 L CA -1.261 53.560 54.840 -0.032 0.000 0.812 28 L CB 1.164 43.217 42.059 -0.011 0.000 1.264 28 L HN 0.003 nan 8.230 nan 0.000 0.439 29 N N 2.178 120.888 118.700 0.018 0.000 2.406 29 N HA 0.304 5.044 4.740 -0.000 0.000 0.251 29 N C -0.411 175.138 175.510 0.066 0.000 1.069 29 N CA -0.110 52.968 53.050 0.048 0.000 0.947 29 N CB 1.715 40.228 38.487 0.044 0.000 1.111 29 N HN 0.370 nan 8.380 nan 0.000 0.497 30 V N -0.070 119.897 119.914 0.087 0.000 3.177 30 V HA 0.794 4.914 4.120 -0.000 0.000 0.319 30 V C 0.094 176.222 176.094 0.057 0.000 1.125 30 V CA -0.738 61.603 62.300 0.068 0.000 1.029 30 V CB 2.026 33.887 31.823 0.065 0.000 1.119 30 V HN 0.205 nan 8.190 nan 0.000 0.452 31 V N 0.522 120.450 119.914 0.024 0.000 2.852 31 V HA 0.442 4.562 4.120 -0.000 0.000 0.300 31 V C -0.877 175.178 176.094 -0.065 0.000 1.205 31 V CA -0.347 61.946 62.300 -0.013 0.000 0.940 31 V CB 2.296 34.117 31.823 -0.004 0.000 1.047 31 V HN 0.853 nan 8.190 nan 0.000 0.429 32 V N 6.506 126.374 119.914 -0.077 0.000 2.370 32 V HA 0.515 4.635 4.120 -0.000 0.000 0.283 32 V C -0.246 175.762 176.094 -0.143 0.000 1.023 32 V CA -0.455 61.792 62.300 -0.089 0.000 0.857 32 V CB 1.561 33.350 31.823 -0.058 0.000 0.985 32 V HN 0.614 nan 8.190 nan 0.000 0.443 33 L N 4.616 125.734 121.223 -0.175 0.000 2.287 33 L HA 0.668 5.008 4.340 -0.000 0.000 0.287 33 L C -0.307 176.478 176.870 -0.141 0.000 1.022 33 L CA -0.391 54.320 54.840 -0.214 0.000 0.814 33 L CB 1.608 43.488 42.059 -0.298 0.000 1.217 33 L HN 0.615 nan 8.230 nan 0.000 0.420 34 E N 2.233 122.353 120.200 -0.133 0.000 2.224 34 E HA 0.520 4.870 4.350 -0.000 0.000 0.265 34 E C 0.068 176.562 176.600 -0.177 0.000 0.878 34 E CA -0.351 55.974 56.400 -0.125 0.000 0.759 34 E CB 2.074 31.722 29.700 -0.088 0.000 1.164 34 E HN 0.552 nan 8.360 nan 0.000 0.414 35 A N 5.397 128.054 122.820 -0.272 0.000 1.898 35 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 35 A C 1.215 178.563 177.584 -0.393 0.000 1.181 35 A CA 0.859 52.613 52.037 -0.473 0.000 0.620 35 A CB -0.184 18.209 19.000 -1.012 0.000 0.819 35 A HN 0.587 nan 8.150 nan 0.000 0.442 36 R N 0.082 120.411 120.500 -0.285 0.000 2.738 36 R HA 0.149 4.489 4.340 -0.000 0.000 0.275 36 R C 0.020 176.257 176.300 -0.104 0.000 1.121 36 R CA 0.331 56.338 56.100 -0.154 0.000 1.207 36 R CB 0.109 30.355 30.300 -0.090 0.000 1.141 36 R HN 0.524 nan 8.270 nan 0.000 0.571 37 D N 0.426 120.782 120.400 -0.073 0.000 2.352 37 D HA -0.006 4.634 4.640 -0.000 0.000 0.236 37 D C -0.384 175.893 176.300 -0.038 0.000 1.148 37 D CA -0.067 53.903 54.000 -0.050 0.000 0.844 37 D CB -0.062 40.717 40.800 -0.035 0.000 0.933 37 D HN 0.410 nan 8.370 nan 0.000 0.507 38 R N -1.413 119.061 120.500 -0.043 0.000 2.629 38 R HA 0.536 4.876 4.340 -0.000 0.000 0.266 38 R C -0.555 175.739 176.300 -0.011 0.000 1.051 38 R CA -1.139 54.950 56.100 -0.018 0.000 0.895 38 R CB 1.007 31.294 30.300 -0.021 0.000 1.246 38 R HN -0.098 nan 8.270 nan 0.000 0.459 39 V N -0.785 119.135 119.914 0.009 0.000 3.295 39 V HA 0.869 4.989 4.120 -0.000 0.000 0.308 39 V C 1.014 177.139 176.094 0.053 0.000 1.068 39 V CA 0.654 62.964 62.300 0.016 0.000 1.062 39 V CB 0.758 32.584 31.823 0.006 0.000 1.162 39 V HN 1.190 nan 8.190 nan 0.000 0.456 40 G N -0.785 108.052 108.800 0.062 0.000 2.491 40 G HA2 0.152 4.112 3.960 -0.000 0.000 0.203 40 G HA3 0.152 4.112 3.960 -0.000 0.000 0.203 40 G C 1.688 176.663 174.900 0.125 0.000 1.052 40 G CA 0.872 46.033 45.100 0.101 0.000 0.675 40 G HN 2.609 nan 8.290 nan 0.000 0.504 41 G N 0.603 109.484 108.800 0.135 0.000 2.677 41 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.321 41 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.321 41 G C 0.957 176.005 174.900 0.247 0.000 1.181 41 G CA 1.532 46.736 45.100 0.173 0.000 0.965 41 G HN 1.217 nan 8.290 nan 0.000 0.548 42 R N 1.902 122.459 120.500 0.095 0.000 2.310 42 R HA 0.278 4.618 4.340 -0.000 0.000 0.202 42 R C 0.806 177.021 176.300 -0.143 0.000 0.933 42 R CA 0.943 56.934 56.100 -0.181 0.000 1.054 42 R CB 0.062 30.221 30.300 -0.236 0.000 0.985 42 R HN 0.692 nan 8.270 nan 0.000 0.489 43 T N -2.223 112.386 114.554 0.091 0.000 2.824 43 T HA 0.357 4.707 4.350 -0.000 0.000 0.280 43 T C -1.033 173.883 174.700 0.360 0.000 0.995 43 T CA -0.644 61.562 62.100 0.176 0.000 1.009 43 T CB 1.695 70.639 68.868 0.127 0.000 0.955 43 T HN 0.045 nan 8.240 nan 0.000 0.452 44 Y N 1.463 121.911 120.300 0.247 0.000 2.323 44 Y HA 0.461 5.011 4.550 -0.000 0.000 0.322 44 Y C -1.170 174.841 175.900 0.186 0.000 1.133 44 Y CA -1.137 57.106 58.100 0.238 0.000 1.093 44 Y CB 1.689 40.349 38.460 0.335 0.000 1.203 44 Y HN 0.843 nan 8.280 nan 0.000 0.427 45 T N 8.059 122.633 114.554 0.035 0.000 2.781 45 T HA 0.338 4.688 4.350 -0.000 0.000 0.305 45 T C -0.644 173.874 174.700 -0.304 0.000 1.001 45 T CA -0.354 61.681 62.100 -0.108 0.000 0.950 45 T CB 0.212 69.089 68.868 0.014 0.000 0.955 45 T HN 0.564 nan 8.240 nan 0.000 0.471 46 L N 4.999 125.968 121.223 -0.423 0.000 2.367 46 L HA 0.428 4.768 4.340 -0.000 0.000 0.275 46 L C 0.110 176.912 176.870 -0.113 0.000 1.129 46 L CA 0.228 54.857 54.840 -0.351 0.000 0.839 46 L CB 0.224 42.091 42.059 -0.319 0.000 1.133 46 L HN 0.494 nan 8.230 nan 0.000 0.453 47 R N 4.185 124.647 120.500 -0.064 0.000 2.439 47 R HA 0.549 4.889 4.340 -0.000 0.000 0.310 47 R C -1.089 175.193 176.300 -0.030 0.000 0.955 47 R CA -0.674 55.413 56.100 -0.020 0.000 0.853 47 R CB 1.177 31.480 30.300 0.006 0.000 1.171 47 R HN 0.872 nan 8.270 nan 0.000 0.449 48 N N -0.343 118.323 118.700 -0.057 0.000 3.116 48 N HA 0.014 4.753 4.740 -0.000 0.000 0.244 48 N C -0.001 175.451 175.510 -0.097 0.000 1.485 48 N CA -0.825 52.187 53.050 -0.063 0.000 0.884 48 N CB 0.812 39.266 38.487 -0.056 0.000 1.415 48 N HN 0.167 nan 8.380 nan 0.000 0.524 49 Q N -0.399 119.349 119.800 -0.086 0.000 2.167 49 Q HA 0.058 4.398 4.340 -0.000 0.000 0.202 49 Q C 0.532 176.491 176.000 -0.067 0.000 0.970 49 Q CA 1.034 56.800 55.803 -0.062 0.000 0.855 49 Q CB -0.010 28.701 28.738 -0.046 0.000 0.911 49 Q HN 0.519 nan 8.270 nan 0.000 0.438 50 K N -0.057 120.219 120.400 -0.206 0.000 2.366 50 K HA 0.014 4.334 4.320 -0.000 0.000 0.198 50 K C 1.545 177.992 176.600 -0.256 0.000 1.044 50 K CA 0.395 56.490 56.287 -0.320 0.000 0.973 50 K CB 0.479 32.464 32.500 -0.858 0.000 0.767 50 K HN 0.024 nan 8.250 nan 0.000 0.475 51 V N -0.450 119.281 119.914 -0.306 0.000 3.497 51 V HA -0.010 4.110 4.120 -0.000 0.000 0.272 51 V C 1.090 176.796 176.094 -0.646 0.000 1.474 51 V CA 0.508 62.533 62.300 -0.457 0.000 1.025 51 V CB 0.273 31.890 31.823 -0.344 0.000 0.820 51 V HN 0.288 nan 8.190 nan 0.000 0.437 52 K N 0.734 120.799 120.400 -0.558 0.000 11.208 52 K HA -0.305 4.015 4.320 -0.000 0.000 0.528 52 K C 0.091 176.584 176.600 -0.178 0.000 0.393 52 K CA 2.628 58.636 56.287 -0.465 0.000 1.921 52 K CB -1.082 30.911 32.500 -0.845 0.000 0.787 52 K HN 0.650 nan 8.250 nan 0.000 1.252 53 Y N -1.971 118.178 120.300 -0.251 0.000 2.562 53 Y HA 0.759 5.309 4.550 -0.000 0.000 0.345 53 Y C -1.183 174.666 175.900 -0.084 0.000 1.045 53 Y CA -0.858 57.159 58.100 -0.138 0.000 1.028 53 Y CB 2.065 40.469 38.460 -0.094 0.000 1.297 53 Y HN 0.041 nan 8.280 nan 0.000 0.463 54 V N 2.216 122.180 119.914 0.083 0.000 2.777 54 V HA 0.323 4.443 4.120 -0.000 0.000 0.306 54 V C -1.562 174.575 176.094 0.072 0.000 1.112 54 V CA -0.712 61.632 62.300 0.073 0.000 0.917 54 V CB 2.013 33.887 31.823 0.085 0.000 1.018 54 V HN 0.920 nan 8.190 nan 0.000 0.426 55 D N 5.845 126.304 120.400 0.098 0.000 2.344 55 D HA 0.258 4.898 4.640 -0.000 0.000 0.253 55 D C 0.939 177.301 176.300 0.105 0.000 1.255 55 D CA 0.175 54.223 54.000 0.081 0.000 0.894 55 D CB 1.737 42.566 40.800 0.049 0.000 1.067 55 D HN 0.469 nan 8.370 nan 0.000 0.492 56 L N 1.456 122.763 121.223 0.141 0.000 2.446 56 L HA 0.145 4.485 4.340 -0.000 0.000 0.219 56 L C 1.576 178.783 176.870 0.560 0.000 1.116 56 L CA 0.249 55.258 54.840 0.281 0.000 0.844 56 L CB 0.226 42.413 42.059 0.213 0.000 0.970 56 L HN 0.323 nan 8.230 nan 0.000 0.457 57 G N -0.954 108.126 108.800 0.466 0.000 3.247 57 G HA2 0.428 4.388 3.960 -0.000 0.000 0.163 57 G HA3 0.428 4.388 3.960 -0.000 0.000 0.163 57 G C -0.165 174.789 174.900 0.089 0.000 1.206 57 G CA -0.005 45.266 45.100 0.286 0.000 0.918 57 G HN 0.107 nan 8.290 nan 0.000 0.625 58 G N -0.843 107.948 108.800 -0.015 0.000 2.432 58 G HA2 0.384 4.344 3.960 -0.000 0.000 0.239 58 G HA3 0.384 4.344 3.960 -0.000 0.000 0.239 58 G C 0.445 175.345 174.900 0.000 0.000 1.291 58 G CA 0.940 46.030 45.100 -0.017 0.000 0.863 58 G HN 0.833 nan 8.290 nan 0.000 0.560 59 S N 0.902 116.559 115.700 -0.071 0.000 3.916 59 S HA 0.193 4.663 4.470 -0.000 0.000 0.231 59 S C -0.077 174.310 174.600 -0.355 0.000 1.161 59 S CA -0.295 57.756 58.200 -0.249 0.000 0.938 59 S CB -0.177 62.712 63.200 -0.518 0.000 1.170 59 S HN 0.473 nan 8.310 nan 0.000 0.508 60 Y N 2.990 123.258 120.300 -0.053 0.000 2.309 60 Y HA 0.555 5.105 4.550 0.000 0.000 0.327 60 Y C 0.247 176.016 175.900 -0.217 0.000 1.172 60 Y CA -0.509 57.503 58.100 -0.146 0.000 1.280 60 Y CB 1.022 39.430 38.460 -0.087 0.000 1.234 60 Y HN 0.142 nan 8.280 nan 0.000 0.512 61 V N -0.466 119.325 119.914 -0.204 0.000 3.007 61 V HA 1.085 5.205 4.120 -0.000 0.000 0.311 61 V C -0.324 175.571 176.094 -0.332 0.000 1.120 61 V CA -0.595 61.506 62.300 -0.333 0.000 0.980 61 V CB 1.595 33.144 31.823 -0.457 0.000 1.033 61 V HN 0.958 nan 8.190 nan 0.000 0.429 62 G N 1.170 109.724 108.800 -0.409 0.000 2.766 62 G HA2 0.801 4.761 3.960 -0.000 0.000 0.288 62 G HA3 0.801 4.761 3.960 -0.000 0.000 0.288 62 G C -3.304 171.431 174.900 -0.275 0.000 1.408 62 G CA -1.634 43.272 45.100 -0.324 0.000 0.852 62 G HN 0.708 nan 8.290 nan 0.000 0.487 63 P HA 0.079 nan 4.420 nan 0.000 0.265 63 P C 0.746 178.017 177.300 -0.049 0.000 1.187 63 P CA 1.847 64.895 63.100 -0.085 0.000 0.766 63 P CB 0.989 32.664 31.700 -0.042 0.000 0.820 64 T N -1.214 113.350 114.554 0.016 0.000 7.058 64 T HA -0.246 4.104 4.350 -0.000 0.000 0.289 64 T C 0.344 175.113 174.700 0.115 0.000 2.142 64 T CA 0.987 63.181 62.100 0.156 0.000 3.531 64 T CB -2.569 66.495 68.868 0.326 0.000 1.423 64 T HN 0.578 nan 8.240 nan 0.000 1.040 65 Q N 1.424 121.106 119.800 -0.198 0.000 3.122 65 Q HA 0.329 4.669 4.340 -0.000 0.000 0.360 65 Q C 0.972 176.906 176.000 -0.111 0.000 1.300 65 Q CA -0.388 55.208 55.803 -0.344 0.000 0.982 65 Q CB 0.097 28.431 28.738 -0.674 0.000 1.534 65 Q HN 0.547 nan 8.270 nan 0.000 0.474 66 N N 0.874 119.584 118.700 0.016 0.000 2.309 66 N HA -0.104 4.636 4.740 -0.000 0.000 0.182 66 N C 1.318 176.853 175.510 0.042 0.000 1.018 66 N CA 0.926 53.995 53.050 0.032 0.000 0.876 66 N CB 0.203 38.724 38.487 0.058 0.000 0.972 66 N HN 0.388 nan 8.380 nan 0.000 0.434 67 R N 0.475 121.012 120.500 0.061 0.000 2.062 67 R HA -0.005 4.335 4.340 -0.000 0.000 0.229 67 R C 2.117 178.450 176.300 0.054 0.000 1.128 67 R CA 0.748 56.887 56.100 0.064 0.000 0.960 67 R CB -0.371 29.983 30.300 0.089 0.000 0.855 67 R HN 0.115 nan 8.270 nan 0.000 0.432 68 I N 1.198 121.800 120.570 0.052 0.000 2.315 68 I HA -0.193 3.976 4.170 -0.000 0.000 0.248 68 I C 1.869 178.060 176.117 0.123 0.000 1.117 68 I CA 1.332 62.681 61.300 0.082 0.000 1.404 68 I CB -0.076 37.985 38.000 0.100 0.000 1.071 68 I HN 0.103 nan 8.210 nan 0.000 0.419 69 L N 0.234 121.515 121.223 0.096 0.000 2.042 69 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 69 L C 2.795 179.717 176.870 0.087 0.000 1.076 69 L CA 1.707 56.615 54.840 0.114 0.000 0.749 69 L CB -0.719 41.361 42.059 0.034 0.000 0.893 69 L HN 0.290 nan 8.230 nan 0.000 0.432 70 R N 0.422 120.954 120.500 0.053 0.000 2.062 70 R HA -0.210 4.130 4.340 -0.000 0.000 0.231 70 R C 2.364 178.678 176.300 0.023 0.000 1.136 70 R CA 1.721 57.843 56.100 0.036 0.000 0.948 70 R CB -0.423 29.896 30.300 0.032 0.000 0.845 70 R HN 0.229 nan 8.270 nan 0.000 0.430 71 L N 1.049 122.283 121.223 0.018 0.000 2.083 71 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 71 L C 2.257 179.102 176.870 -0.042 0.000 1.083 71 L CA 2.127 56.963 54.840 -0.007 0.000 0.752 71 L CB -0.600 41.456 42.059 -0.005 0.000 0.899 71 L HN 0.273 nan 8.230 nan 0.000 0.433 72 A N -0.419 122.372 122.820 -0.047 0.000 1.873 72 A HA -0.229 4.091 4.320 -0.000 0.000 0.215 72 A C 2.442 179.982 177.584 -0.073 0.000 1.186 72 A CA 1.813 53.761 52.037 -0.148 0.000 0.616 72 A CB -0.611 18.263 19.000 -0.210 0.000 0.823 72 A HN 0.517 nan 8.150 nan 0.000 0.442 73 K N -0.064 120.338 120.400 0.004 0.000 1.991 73 K HA -0.239 4.081 4.320 -0.000 0.000 0.212 73 K C 2.083 178.679 176.600 -0.007 0.000 1.049 73 K CA 1.865 58.161 56.287 0.015 0.000 0.932 73 K CB -0.289 32.231 32.500 0.032 0.000 0.717 73 K HN 0.566 nan 8.250 nan 0.000 0.441 74 E N 0.467 120.662 120.200 -0.008 0.000 2.171 74 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 74 E C 1.737 178.322 176.600 -0.024 0.000 0.997 74 E CA 1.072 57.465 56.400 -0.011 0.000 0.810 74 E CB -0.050 29.646 29.700 -0.007 0.000 0.738 74 E HN 0.408 nan 8.360 nan 0.000 0.467 75 L N -0.760 120.436 121.223 -0.045 0.000 2.599 75 L HA 0.125 4.465 4.340 -0.000 0.000 0.230 75 L C 1.462 178.296 176.870 -0.060 0.000 1.141 75 L CA 0.551 55.355 54.840 -0.061 0.000 0.877 75 L CB 0.276 42.279 42.059 -0.093 0.000 1.009 75 L HN 0.480 nan 8.230 nan 0.000 0.447 76 G N -0.520 108.253 108.800 -0.046 0.000 2.179 76 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 76 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 76 G C 0.233 175.113 174.900 -0.033 0.000 0.990 76 G CA -0.371 44.708 45.100 -0.034 0.000 0.646 76 G HN 0.159 nan 8.290 nan 0.000 0.517 77 L N 0.172 121.362 121.223 -0.054 0.000 2.439 77 L HA 0.737 5.077 4.340 -0.000 0.000 0.261 77 L C 0.621 177.528 176.870 0.062 0.000 1.153 77 L CA -0.461 54.354 54.840 -0.042 0.000 0.808 77 L CB 1.083 43.029 42.059 -0.189 0.000 1.126 77 L HN 0.168 nan 8.230 nan 0.000 0.460 78 E N -0.329 119.948 120.200 0.129 0.000 2.312 78 E HA 0.422 4.772 4.350 -0.000 0.000 0.267 78 E C -1.101 175.650 176.600 0.251 0.000 0.894 78 E CA -0.581 55.917 56.400 0.162 0.000 0.773 78 E CB 2.571 32.336 29.700 0.110 0.000 1.241 78 E HN 0.694 nan 8.360 nan 0.000 0.432 79 T N -1.023 113.634 114.554 0.172 0.000 2.952 79 T HA 0.628 4.978 4.350 -0.000 0.000 0.286 79 T C -0.735 174.053 174.700 0.148 0.000 1.024 79 T CA -0.698 61.451 62.100 0.081 0.000 1.029 79 T CB 0.780 69.577 68.868 -0.119 0.000 1.094 79 T HN 0.487 nan 8.240 nan 0.000 0.515 80 Y N -1.429 118.870 120.300 -0.003 0.000 2.553 80 Y HA 0.713 5.263 4.550 -0.000 0.000 0.347 80 Y C -0.718 175.183 175.900 0.002 0.000 1.019 80 Y CA -1.553 56.555 58.100 0.015 0.000 1.032 80 Y CB 1.381 39.869 38.460 0.047 0.000 1.284 80 Y HN 0.623 nan 8.280 nan 0.000 0.466 81 K N 2.653 123.095 120.400 0.070 0.000 2.368 81 K HA 0.354 4.674 4.320 -0.000 0.000 0.282 81 K C -0.624 175.985 176.600 0.016 0.000 1.035 81 K CA -0.586 55.690 56.287 -0.018 0.000 0.973 81 K CB 1.251 33.770 32.500 0.032 0.000 0.957 81 K HN 0.561 nan 8.250 nan 0.000 0.474 82 V N 3.101 122.967 119.914 -0.080 0.000 2.763 82 V HA -0.107 4.013 4.120 -0.000 0.000 0.306 82 V C 0.567 176.697 176.094 0.060 0.000 1.059 82 V CA -0.178 62.133 62.300 0.018 0.000 1.138 82 V CB 0.482 32.313 31.823 0.013 0.000 0.940 82 V HN 0.738 nan 8.190 nan 0.000 0.489 83 N N 3.384 122.146 118.700 0.103 0.000 2.416 83 N HA 0.053 4.793 4.740 -0.000 0.000 0.265 83 N C 0.168 175.697 175.510 0.031 0.000 1.195 83 N CA 0.353 53.454 53.050 0.085 0.000 0.943 83 N CB 0.325 38.888 38.487 0.126 0.000 1.115 83 N HN 0.791 nan 8.380 nan 0.000 0.481 84 E N 3.069 123.277 120.200 0.014 0.000 3.306 84 E HA 0.116 4.466 4.350 -0.000 0.000 0.197 84 E C 0.374 176.970 176.600 -0.008 0.000 0.980 84 E CA -0.098 56.293 56.400 -0.016 0.000 1.259 84 E CB 0.295 29.971 29.700 -0.040 0.000 1.112 84 E HN 0.486 nan 8.360 nan 0.000 0.458 85 V N 0.227 120.149 119.914 0.013 0.000 2.323 85 V HA -0.146 3.974 4.120 -0.000 0.000 0.244 85 V C 1.043 177.143 176.094 0.009 0.000 1.041 85 V CA 1.452 63.759 62.300 0.012 0.000 1.025 85 V CB -0.223 31.611 31.823 0.018 0.000 0.656 85 V HN 0.236 nan 8.190 nan 0.000 0.451 86 E N -0.405 119.808 120.200 0.021 0.000 3.601 86 E HA 0.388 4.738 4.350 -0.000 0.000 0.273 86 E C 0.248 176.856 176.600 0.012 0.000 1.368 86 E CA -0.582 55.837 56.400 0.031 0.000 1.286 86 E CB 0.208 29.945 29.700 0.062 0.000 1.383 86 E HN 0.308 nan 8.360 nan 0.000 0.746 87 R N 0.349 120.881 120.500 0.052 0.000 2.459 87 R HA 0.377 4.717 4.340 -0.000 0.000 0.281 87 R C -0.250 175.973 176.300 -0.129 0.000 1.050 87 R CA -0.449 55.644 56.100 -0.011 0.000 1.055 87 R CB 0.297 30.658 30.300 0.101 0.000 1.045 87 R HN 0.311 nan 8.270 nan 0.000 0.495 88 L N 2.029 122.997 121.223 -0.426 0.000 2.439 88 L HA 0.525 4.865 4.340 -0.000 0.000 0.259 88 L C 0.086 176.660 176.870 -0.492 0.000 1.129 88 L CA -0.747 53.741 54.840 -0.587 0.000 0.803 88 L CB 0.428 41.929 42.059 -0.929 0.000 1.161 88 L HN 0.468 nan 8.230 nan 0.000 0.462 89 I N 0.169 120.612 120.570 -0.212 0.000 2.418 89 I HA 0.236 4.406 4.170 -0.000 0.000 0.287 89 I C -0.666 175.705 176.117 0.422 0.000 1.008 89 I CA -0.489 60.849 61.300 0.062 0.000 1.104 89 I CB 1.612 39.516 38.000 -0.159 0.000 1.264 89 I HN 0.506 nan 8.210 nan 0.000 0.438 90 H N 5.445 124.835 119.070 0.533 0.000 2.594 90 H HA 0.320 4.876 4.556 -0.000 0.000 0.304 90 H C -1.149 174.405 175.328 0.376 0.000 1.068 90 H CA -0.346 55.952 56.048 0.416 0.000 1.308 90 H CB 0.442 30.369 29.762 0.274 0.000 1.409 90 H HN 0.497 nan 8.280 nan 0.000 0.460 91 H N 4.394 123.529 119.070 0.108 0.000 2.623 91 H HA 0.521 5.077 4.556 -0.000 0.000 0.299 91 H C -1.385 173.900 175.328 -0.071 0.000 1.052 91 H CA -0.554 55.504 56.048 0.018 0.000 1.231 91 H CB 0.313 30.099 29.762 0.039 0.000 1.389 91 H HN 0.397 nan 8.280 nan 0.000 0.469 92 V N 5.987 125.727 119.914 -0.290 0.000 2.709 92 V HA 0.253 4.373 4.120 -0.000 0.000 0.308 92 V C -0.535 175.488 176.094 -0.118 0.000 1.062 92 V CA -0.878 61.298 62.300 -0.206 0.000 0.901 92 V CB 1.383 33.027 31.823 -0.298 0.000 1.003 92 V HN 1.045 nan 8.190 nan 0.000 0.425 93 K N 4.810 125.163 120.400 -0.078 0.000 3.156 93 K HA -0.222 4.098 4.320 -0.000 0.000 0.266 93 K C 0.917 177.468 176.600 -0.082 0.000 0.966 93 K CA 0.783 57.048 56.287 -0.036 0.000 0.719 93 K CB -1.559 30.947 32.500 0.010 0.000 1.333 93 K HN 1.758 nan 8.250 nan 0.000 0.468 94 G N -0.400 108.290 108.800 -0.183 0.000 2.159 94 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.256 94 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.256 94 G C -0.068 174.666 174.900 -0.276 0.000 0.977 94 G CA 0.908 45.926 45.100 -0.136 0.000 0.652 94 G HN 0.356 nan 8.290 nan 0.000 0.531 95 K N -0.122 119.959 120.400 -0.532 0.000 2.435 95 K HA 0.612 4.932 4.320 -0.000 0.000 0.251 95 K C -0.863 175.365 176.600 -0.620 0.000 0.954 95 K CA -0.577 55.440 56.287 -0.449 0.000 0.820 95 K CB 1.884 34.163 32.500 -0.369 0.000 1.292 95 K HN 0.069 nan 8.250 nan 0.000 0.436 96 S N 1.730 117.170 115.700 -0.433 0.000 2.433 96 S HA 0.421 4.891 4.470 -0.000 0.000 0.310 96 S C -1.373 172.994 174.600 -0.388 0.000 1.097 96 S CA -0.574 57.502 58.200 -0.207 0.000 1.103 96 S CB 0.222 63.440 63.200 0.030 0.000 0.992 96 S HN 0.325 nan 8.310 nan 0.000 0.469 97 Y N 2.699 123.080 120.300 0.136 0.000 2.345 97 Y HA 0.404 4.954 4.550 -0.000 0.000 0.331 97 Y C -2.502 173.577 175.900 0.297 0.000 0.959 97 Y CA -2.597 55.622 58.100 0.200 0.000 1.204 97 Y CB 0.681 39.259 38.460 0.196 0.000 1.135 97 Y HN 0.436 nan 8.280 nan 0.000 0.477 98 P HA 0.306 nan 4.420 nan 0.000 0.274 98 P C -0.889 176.676 177.300 0.442 0.000 1.231 98 P CA -0.123 63.164 63.100 0.313 0.000 0.790 98 P CB 0.699 32.572 31.700 0.288 0.000 0.951 99 F N -1.701 118.344 119.950 0.158 0.000 2.817 99 F HA 0.674 5.201 4.527 -0.000 0.000 0.317 99 F C -1.248 174.608 175.800 0.092 0.000 1.168 99 F CA -1.226 56.852 58.000 0.130 0.000 0.911 99 F CB 1.193 40.265 39.000 0.120 0.000 1.337 99 F HN 0.029 nan 8.300 nan 0.000 0.464 100 R N 0.788 121.424 120.500 0.228 0.000 2.912 100 R HA 0.758 5.098 4.340 -0.000 0.000 0.262 100 R C -0.212 176.227 176.300 0.232 0.000 1.057 100 R CA -0.700 55.453 56.100 0.088 0.000 0.981 100 R CB 1.549 31.897 30.300 0.079 0.000 1.201 100 R HN 1.539 nan 8.270 nan 0.000 0.484 101 G N 0.990 109.859 108.800 0.114 0.000 2.828 101 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.463 101 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.463 101 G C -2.179 172.808 174.900 0.145 0.000 1.394 101 G CA -0.674 44.496 45.100 0.118 0.000 0.862 101 G HN 0.415 nan 8.290 nan 0.000 0.540 102 P HA 0.209 nan 4.420 nan 0.000 0.221 102 P C 0.505 177.637 177.300 -0.279 0.000 1.155 102 P CA 0.936 63.908 63.100 -0.213 0.000 0.812 102 P CB 0.156 31.541 31.700 -0.525 0.000 0.801 103 F N 0.159 120.074 119.950 -0.057 0.000 2.443 103 F HA 0.423 4.950 4.527 -0.000 0.000 0.335 103 F C -2.118 173.438 175.800 -0.408 0.000 1.104 103 F CA -2.960 54.904 58.000 -0.226 0.000 1.013 103 F CB 0.668 39.490 39.000 -0.296 0.000 1.136 103 F HN -0.296 nan 8.300 nan 0.000 0.470 104 P HA 0.145 nan 4.420 nan 0.000 0.271 104 P C -2.475 174.488 177.300 -0.562 0.000 1.216 104 P CA -0.995 61.317 63.100 -1.313 0.000 0.771 104 P CB -0.027 30.942 31.700 -1.219 0.000 0.864 105 P HA 0.195 nan 4.420 nan 0.000 0.276 105 P C -1.117 175.936 177.300 -0.412 0.000 1.244 105 P CA -0.234 62.633 63.100 -0.388 0.000 0.801 105 P CB 0.997 32.445 31.700 -0.420 0.000 1.006 106 V N 2.553 122.188 119.914 -0.466 0.000 2.638 106 V HA 0.365 4.485 4.120 -0.000 0.000 0.306 106 V C -0.416 175.448 176.094 -0.383 0.000 1.052 106 V CA -0.516 61.568 62.300 -0.359 0.000 0.885 106 V CB 1.663 33.261 31.823 -0.375 0.000 0.999 106 V HN 0.620 nan 8.190 nan 0.000 0.424 107 W N 2.767 124.003 121.300 -0.106 0.000 2.630 107 W HA 0.287 4.947 4.660 -0.000 0.000 0.275 107 W C 1.364 177.836 176.519 -0.078 0.000 1.192 107 W CA 0.064 57.346 57.345 -0.105 0.000 1.410 107 W CB 0.224 29.630 29.460 -0.091 0.000 1.075 107 W HN 0.622 nan 8.180 nan 0.000 0.581 108 N N 2.016 120.824 118.700 0.179 0.000 2.301 108 N HA -0.083 4.657 4.740 -0.000 0.000 0.267 108 N C -1.818 173.760 175.510 0.114 0.000 1.304 108 N CA -0.041 53.079 53.050 0.117 0.000 0.851 108 N CB 1.199 39.736 38.487 0.084 0.000 1.070 108 N HN -0.088 nan 8.380 nan 0.000 0.483 109 P HA -0.069 nan 4.420 nan 0.000 0.217 109 P C 1.607 178.991 177.300 0.140 0.000 1.151 109 P CA 0.614 63.785 63.100 0.119 0.000 0.828 109 P CB 0.372 32.121 31.700 0.083 0.000 0.788 110 I N -0.295 120.334 120.570 0.098 0.000 2.090 110 I HA -0.198 3.972 4.170 -0.000 0.000 0.236 110 I C 2.014 178.188 176.117 0.096 0.000 1.064 110 I CA 1.976 63.323 61.300 0.078 0.000 1.324 110 I CB -2.073 35.966 38.000 0.065 0.000 1.044 110 I HN 0.018 nan 8.210 nan 0.000 0.399 111 T N 0.593 115.212 114.554 0.108 0.000 2.680 111 T HA -0.301 4.049 4.350 -0.000 0.000 0.268 111 T C 1.842 176.619 174.700 0.128 0.000 1.033 111 T CA 2.004 64.181 62.100 0.127 0.000 1.152 111 T CB -0.804 68.115 68.868 0.085 0.000 0.859 111 T HN 0.402 nan 8.240 nan 0.000 0.452 112 Y N 1.445 121.725 120.300 -0.033 0.000 2.181 112 Y HA -0.113 4.437 4.550 -0.000 0.000 0.288 112 Y C 2.096 177.999 175.900 0.005 0.000 1.146 112 Y CA 1.156 59.217 58.100 -0.066 0.000 1.164 112 Y CB -0.347 38.058 38.460 -0.090 0.000 0.982 112 Y HN 0.126 nan 8.280 nan 0.000 0.515 113 L N -0.063 121.145 121.223 -0.025 0.000 2.046 113 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 113 L C 2.186 178.986 176.870 -0.118 0.000 1.077 113 L CA 1.789 56.555 54.840 -0.122 0.000 0.747 113 L CB -0.658 41.379 42.059 -0.038 0.000 0.896 113 L HN 0.251 nan 8.230 nan 0.000 0.432 114 D N -0.876 119.511 120.400 -0.021 0.000 2.097 114 D HA -0.220 4.420 4.640 -0.000 0.000 0.195 114 D C 2.176 178.494 176.300 0.029 0.000 0.989 114 D CA 1.364 55.376 54.000 0.020 0.000 0.827 114 D CB 0.034 40.889 40.800 0.093 0.000 0.966 114 D HN 0.296 nan 8.370 nan 0.000 0.456 115 H N -0.349 118.670 119.070 -0.084 0.000 2.293 115 H HA -0.121 4.435 4.556 -0.000 0.000 0.300 115 H C 2.158 177.468 175.328 -0.030 0.000 1.082 115 H CA 1.333 57.350 56.048 -0.052 0.000 1.308 115 H CB -0.173 29.577 29.762 -0.019 0.000 1.375 115 H HN 0.298 nan 8.280 nan 0.000 0.495 116 N N 1.068 119.715 118.700 -0.088 0.000 2.166 116 N HA -0.170 4.570 4.740 -0.000 0.000 0.186 116 N C 1.777 177.216 175.510 -0.118 0.000 1.019 116 N CA 0.832 53.761 53.050 -0.201 0.000 0.856 116 N CB -0.222 37.947 38.487 -0.529 0.000 0.993 116 N HN 0.399 nan 8.380 nan 0.000 0.426 117 N N 0.273 118.906 118.700 -0.111 0.000 2.188 117 N HA -0.188 4.552 4.740 -0.000 0.000 0.184 117 N C 1.884 177.349 175.510 -0.075 0.000 1.018 117 N CA 0.767 53.761 53.050 -0.093 0.000 0.858 117 N CB -0.424 38.013 38.487 -0.084 0.000 0.989 117 N HN 0.255 nan 8.380 nan 0.000 0.426 118 F N 0.773 120.604 119.950 -0.198 0.000 2.043 118 F HA -0.164 4.363 4.527 -0.000 0.000 0.297 118 F C 1.888 177.532 175.800 -0.259 0.000 1.121 118 F CA 1.822 59.648 58.000 -0.289 0.000 1.199 118 F CB -1.006 37.692 39.000 -0.503 0.000 0.968 118 F HN 0.063 nan 8.300 nan 0.000 0.478 119 W N 0.666 121.692 121.300 -0.456 0.000 2.363 119 W HA -0.125 4.535 4.660 -0.000 0.000 0.296 119 W C 2.820 179.069 176.519 -0.450 0.000 1.212 119 W CA 1.336 58.342 57.345 -0.565 0.000 1.260 119 W CB -0.440 28.821 29.460 -0.331 0.000 1.131 119 W HN -0.040 nan 8.180 nan 0.000 0.530 120 R N 0.030 120.456 120.500 -0.123 0.000 2.090 120 R HA -0.098 4.242 4.340 -0.000 0.000 0.228 120 R C 1.630 177.830 176.300 -0.167 0.000 1.110 120 R CA 1.835 57.852 56.100 -0.138 0.000 0.973 120 R CB -0.599 29.616 30.300 -0.142 0.000 0.869 120 R HN 0.070 nan 8.270 nan 0.000 0.440 121 T N 1.316 115.743 114.554 -0.211 0.000 2.942 121 T HA -0.029 4.321 4.350 -0.000 0.000 0.265 121 T C 1.853 176.412 174.700 -0.234 0.000 1.062 121 T CA 0.739 62.726 62.100 -0.188 0.000 1.139 121 T CB 0.017 68.793 68.868 -0.154 0.000 0.883 121 T HN 0.097 nan 8.240 nan 0.000 0.468 122 M N 1.789 121.182 119.600 -0.345 0.000 2.082 122 M HA -0.099 4.381 4.480 -0.000 0.000 0.258 122 M C 1.764 177.953 176.300 -0.184 0.000 1.069 122 M CA 1.504 56.635 55.300 -0.282 0.000 1.102 122 M CB -1.114 31.306 32.600 -0.300 0.000 1.336 122 M HN 0.131 nan 8.290 nan 0.000 0.404 123 D N 0.247 120.552 120.400 -0.159 0.000 2.162 123 D HA -0.102 4.538 4.640 -0.000 0.000 0.203 123 D C 1.646 177.884 176.300 -0.104 0.000 0.967 123 D CA 0.895 54.822 54.000 -0.122 0.000 0.840 123 D CB -0.195 40.541 40.800 -0.106 0.000 0.972 123 D HN 0.259 nan 8.370 nan 0.000 0.482 124 D N 0.195 120.535 120.400 -0.101 0.000 2.092 124 D HA -0.117 4.523 4.640 -0.000 0.000 0.193 124 D C 2.158 178.447 176.300 -0.017 0.000 0.994 124 D CA 0.755 54.719 54.000 -0.061 0.000 0.828 124 D CB -0.258 40.507 40.800 -0.059 0.000 0.963 124 D HN 0.200 nan 8.370 nan 0.000 0.450 125 M N 0.108 119.674 119.600 -0.056 0.000 2.202 125 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 125 M C 2.159 178.478 176.300 0.031 0.000 1.063 125 M CA 1.653 56.925 55.300 -0.047 0.000 1.097 125 M CB -0.281 32.073 32.600 -0.410 0.000 1.382 125 M HN 0.052 nan 8.290 nan 0.000 0.413 126 G N -0.684 108.087 108.800 -0.048 0.000 2.448 126 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 126 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 126 G C 1.582 176.478 174.900 -0.007 0.000 1.135 126 G CA 0.250 45.326 45.100 -0.040 0.000 0.784 126 G HN 0.364 nan 8.290 nan 0.000 0.543 127 R N -0.276 120.219 120.500 -0.008 0.000 2.237 127 R HA -0.004 4.336 4.340 -0.000 0.000 0.219 127 R C 1.796 178.103 176.300 0.010 0.000 1.080 127 R CA 0.763 56.853 56.100 -0.017 0.000 0.995 127 R CB 0.081 30.365 30.300 -0.026 0.000 0.875 127 R HN 0.186 nan 8.270 nan 0.000 0.462 128 E N -0.254 119.990 120.200 0.072 0.000 2.489 128 E HA 0.127 4.476 4.350 -0.000 0.000 0.193 128 E C -0.488 176.152 176.600 0.067 0.000 1.057 128 E CA 0.301 56.747 56.400 0.077 0.000 0.866 128 E CB 0.413 30.204 29.700 0.153 0.000 0.916 128 E HN 0.209 nan 8.360 nan 0.000 0.500 129 I N 1.545 122.163 120.570 0.080 0.000 2.382 129 I HA 0.311 4.481 4.170 -0.000 0.000 0.286 129 I C -2.357 173.767 176.117 0.011 0.000 1.002 129 I CA -2.625 58.716 61.300 0.070 0.000 1.135 129 I CB 1.836 39.936 38.000 0.167 0.000 1.288 129 I HN -0.232 nan 8.210 nan 0.000 0.448 130 P HA 0.203 nan 4.420 nan 0.000 0.276 130 P C 0.258 177.533 177.300 -0.042 0.000 1.235 130 P CA -0.149 62.893 63.100 -0.098 0.000 0.772 130 P CB 1.107 32.698 31.700 -0.182 0.000 0.871 131 S N 2.010 117.709 115.700 -0.002 0.000 2.343 131 S HA -0.206 4.264 4.470 -0.000 0.000 0.219 131 S C 1.456 176.133 174.600 0.129 0.000 1.033 131 S CA 1.520 59.818 58.200 0.164 0.000 1.014 131 S CB -1.064 62.141 63.200 0.008 0.000 0.915 131 S HN 0.527 nan 8.310 nan 0.000 0.435 132 D N 1.797 122.150 120.400 -0.078 0.000 3.866 132 D HA -0.224 4.416 4.640 -0.000 0.000 0.210 132 D C 0.408 176.503 176.300 -0.342 0.000 1.279 132 D CA 2.069 55.945 54.000 -0.207 0.000 0.868 132 D CB -0.156 40.499 40.800 -0.242 0.000 0.938 132 D HN 0.526 nan 8.370 nan 0.000 0.571 133 A N -2.286 120.175 122.820 -0.598 0.000 2.969 133 A HA 0.350 4.669 4.320 -0.000 0.000 0.303 133 A C -2.069 174.693 177.584 -1.370 0.000 1.198 133 A CA -0.717 50.473 52.037 -1.411 0.000 0.819 133 A CB 1.045 19.457 19.000 -0.980 0.000 1.385 133 A HN 0.026 nan 8.150 nan 0.000 0.479 134 P HA -0.153 nan 4.420 nan 0.000 0.222 134 P C 1.003 178.082 177.300 -0.369 0.000 1.147 134 P CA 1.274 64.029 63.100 -0.575 0.000 0.790 134 P CB -0.225 31.091 31.700 -0.640 0.000 0.780 135 W N 0.457 121.690 121.300 -0.112 0.000 3.077 135 W HA 0.233 4.893 4.660 -0.000 0.000 0.245 135 W C 1.238 177.721 176.519 -0.060 0.000 1.316 135 W CA 0.127 57.428 57.345 -0.074 0.000 1.537 135 W CB -1.212 28.199 29.460 -0.082 0.000 1.131 135 W HN -0.128 nan 8.180 nan 0.000 0.695 136 K N 0.784 121.050 120.400 -0.224 0.000 2.387 136 K HA 0.350 4.670 4.320 -0.000 0.000 0.198 136 K C 0.965 177.502 176.600 -0.105 0.000 1.022 136 K CA 0.008 56.234 56.287 -0.101 0.000 1.128 136 K CB 0.139 32.544 32.500 -0.159 0.000 0.853 136 K HN 0.084 nan 8.250 nan 0.000 0.523 137 A N 2.158 124.913 122.820 -0.109 0.000 2.531 137 A HA 0.096 4.416 4.320 -0.000 0.000 0.236 137 A C -1.601 175.888 177.584 -0.158 0.000 1.062 137 A CA -0.986 50.983 52.037 -0.113 0.000 0.760 137 A CB 0.054 19.016 19.000 -0.062 0.000 0.995 137 A HN -0.006 nan 8.150 nan 0.000 0.501 138 P HA -0.153 nan 4.420 nan 0.000 0.216 138 P C 0.560 177.679 177.300 -0.302 0.000 1.154 138 P CA 1.341 64.314 63.100 -0.212 0.000 0.865 138 P CB 0.035 31.610 31.700 -0.208 0.000 0.789 139 L N -2.358 118.536 121.223 -0.549 0.000 2.928 139 L HA 0.348 4.688 4.340 -0.000 0.000 0.246 139 L C 1.885 178.437 176.870 -0.530 0.000 1.239 139 L CA -0.271 54.153 54.840 -0.693 0.000 1.035 139 L CB -0.535 40.800 42.059 -1.208 0.000 1.360 139 L HN -0.100 nan 8.230 nan 0.000 0.529 140 A N 0.668 123.340 122.820 -0.246 0.000 1.896 140 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 140 A C 2.198 179.806 177.584 0.040 0.000 1.206 140 A CA 1.918 53.940 52.037 -0.025 0.000 0.647 140 A CB -0.229 18.791 19.000 0.033 0.000 0.828 140 A HN 0.490 nan 8.150 nan 0.000 0.455 141 E N -0.905 119.293 120.200 -0.002 0.000 2.038 141 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 141 E C 2.128 178.768 176.600 0.067 0.000 1.000 141 E CA 1.463 57.883 56.400 0.033 0.000 0.803 141 E CB -0.365 29.337 29.700 0.003 0.000 0.750 141 E HN 0.829 nan 8.360 nan 0.000 0.448 142 E N -0.167 120.046 120.200 0.022 0.000 2.058 142 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 142 E C 1.944 178.700 176.600 0.261 0.000 0.997 142 E CA 1.123 57.578 56.400 0.091 0.000 0.801 142 E CB -0.028 29.683 29.700 0.019 0.000 0.746 142 E HN 0.261 nan 8.360 nan 0.000 0.450 143 W N 1.061 122.402 121.300 0.068 0.000 2.381 143 W HA -0.096 4.564 4.660 -0.000 0.000 0.301 143 W C 2.052 178.638 176.519 0.112 0.000 1.205 143 W CA 0.985 58.382 57.345 0.087 0.000 1.285 143 W CB -1.180 28.331 29.460 0.085 0.000 1.133 143 W HN 0.225 nan 8.180 nan 0.000 0.521 144 D N -0.467 120.134 120.400 0.336 0.000 2.312 144 D HA -0.132 4.508 4.640 -0.000 0.000 0.211 144 D C 1.300 177.723 176.300 0.205 0.000 0.964 144 D CA 0.896 55.053 54.000 0.262 0.000 0.877 144 D CB -0.272 40.662 40.800 0.223 0.000 0.924 144 D HN -0.118 nan 8.370 nan 0.000 0.515 145 N N -0.226 118.581 118.700 0.179 0.000 2.383 145 N HA 0.064 4.804 4.740 -0.000 0.000 0.192 145 N C -0.085 175.503 175.510 0.129 0.000 1.141 145 N CA 0.126 53.256 53.050 0.134 0.000 0.851 145 N CB 0.167 38.717 38.487 0.104 0.000 0.976 145 N HN 0.373 nan 8.380 nan 0.000 0.465 146 M N 0.363 120.056 119.600 0.155 0.000 2.393 146 M HA 0.269 4.749 4.480 -0.000 0.000 0.299 146 M C -0.625 175.751 176.300 0.127 0.000 1.103 146 M CA -0.507 54.871 55.300 0.130 0.000 0.910 146 M CB 1.886 34.571 32.600 0.143 0.000 1.659 146 M HN -0.004 nan 8.290 nan 0.000 0.445 147 T N 0.949 115.560 114.554 0.095 0.000 2.816 147 T HA 0.260 4.610 4.350 -0.000 0.000 0.282 147 T C 0.999 175.730 174.700 0.052 0.000 0.993 147 T CA -0.778 61.374 62.100 0.085 0.000 0.994 147 T CB 0.867 69.778 68.868 0.072 0.000 1.025 147 T HN 0.780 nan 8.240 nan 0.000 0.529 148 M N 0.221 119.831 119.600 0.016 0.000 2.229 148 M HA 0.063 4.543 4.480 -0.000 0.000 0.264 148 M C 2.154 178.417 176.300 -0.061 0.000 1.063 148 M CA 1.473 56.743 55.300 -0.051 0.000 1.114 148 M CB -1.418 31.064 32.600 -0.198 0.000 1.387 148 M HN 0.909 nan 8.290 nan 0.000 0.420 149 K N 0.351 120.725 120.400 -0.043 0.000 2.057 149 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 149 K C 1.790 178.375 176.600 -0.026 0.000 1.049 149 K CA 1.603 57.870 56.287 -0.033 0.000 0.931 149 K CB -0.174 32.337 32.500 0.018 0.000 0.714 149 K HN 0.340 nan 8.250 nan 0.000 0.440 150 E N -0.018 120.180 120.200 -0.004 0.000 2.031 150 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 150 E C 1.919 178.515 176.600 -0.006 0.000 0.994 150 E CA 1.342 57.742 56.400 -0.000 0.000 0.800 150 E CB -0.175 29.540 29.700 0.025 0.000 0.752 150 E HN 0.278 nan 8.360 nan 0.000 0.447 151 L N 1.128 122.349 121.223 -0.004 0.000 2.046 151 L HA -0.179 4.160 4.340 -0.000 0.000 0.208 151 L C 2.055 178.920 176.870 -0.007 0.000 1.077 151 L CA 1.550 56.385 54.840 -0.009 0.000 0.747 151 L CB -0.474 41.567 42.059 -0.029 0.000 0.896 151 L HN 0.143 nan 8.230 nan 0.000 0.432 152 L N -0.815 120.393 121.223 -0.024 0.000 2.017 152 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 152 L C 2.267 179.095 176.870 -0.070 0.000 1.073 152 L CA 1.385 56.194 54.840 -0.051 0.000 0.745 152 L CB -0.936 41.057 42.059 -0.110 0.000 0.894 152 L HN 0.251 nan 8.230 nan 0.000 0.432 153 D N 0.102 120.460 120.400 -0.071 0.000 2.190 153 D HA -0.211 4.429 4.640 -0.000 0.000 0.200 153 D C 2.132 178.371 176.300 -0.102 0.000 0.992 153 D CA 1.271 55.217 54.000 -0.091 0.000 0.854 153 D CB 0.035 40.788 40.800 -0.078 0.000 0.936 153 D HN 0.246 nan 8.370 nan 0.000 0.462 154 K N -0.430 119.936 120.400 -0.057 0.000 2.098 154 K HA -0.007 4.313 4.320 -0.000 0.000 0.203 154 K C 1.810 178.420 176.600 0.017 0.000 1.051 154 K CA 0.208 56.474 56.287 -0.035 0.000 0.957 154 K CB 0.073 32.578 32.500 0.008 0.000 0.738 154 K HN -0.034 nan 8.250 nan 0.000 0.447 155 L N 0.412 121.664 121.223 0.049 0.000 2.375 155 L HA 0.091 4.431 4.340 -0.000 0.000 0.215 155 L C -0.282 176.702 176.870 0.190 0.000 1.108 155 L CA 0.665 55.582 54.840 0.129 0.000 0.830 155 L CB 0.427 42.553 42.059 0.113 0.000 0.959 155 L HN 0.115 nan 8.230 nan 0.000 0.457 156 C N -0.914 118.437 119.300 0.084 0.000 2.271 156 C HA 0.203 4.663 4.460 -0.000 0.000 0.323 156 C C 0.700 175.747 174.990 0.095 0.000 1.245 156 C CA -0.953 58.101 59.018 0.060 0.000 1.548 156 C CB -0.514 27.153 27.740 -0.122 0.000 2.214 156 C HN 0.543 nan 8.230 nan 0.000 0.477 157 W N 1.982 123.252 121.300 -0.051 0.000 2.905 157 W HA 0.109 4.769 4.660 -0.000 0.000 0.251 157 W C 1.432 177.937 176.519 -0.024 0.000 1.305 157 W CA 0.194 57.521 57.345 -0.030 0.000 1.465 157 W CB -0.146 29.305 29.460 -0.014 0.000 1.122 157 W HN 0.649 nan 8.180 nan 0.000 0.659 158 T N -3.521 111.119 114.554 0.143 0.000 2.856 158 T HA 0.298 4.648 4.350 -0.000 0.000 0.283 158 T C 0.849 175.559 174.700 0.016 0.000 1.008 158 T CA -0.657 61.496 62.100 0.088 0.000 0.997 158 T CB 2.670 71.610 68.868 0.120 0.000 0.992 158 T HN -0.221 nan 8.240 nan 0.000 0.454 159 E N 1.334 121.543 120.200 0.014 0.000 2.077 159 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 159 E C 2.276 178.875 176.600 -0.002 0.000 0.989 159 E CA 1.648 58.042 56.400 -0.010 0.000 0.800 159 E CB -0.476 29.226 29.700 0.002 0.000 0.746 159 E HN 0.814 nan 8.360 nan 0.000 0.452 160 S N 0.644 116.378 115.700 0.056 0.000 2.374 160 S HA -0.215 4.255 4.470 -0.000 0.000 0.227 160 S C 2.096 176.730 174.600 0.055 0.000 1.037 160 S CA 1.817 60.092 58.200 0.125 0.000 1.024 160 S CB -0.107 63.226 63.200 0.221 0.000 0.861 160 S HN 0.271 nan 8.310 nan 0.000 0.456 161 A N 0.919 123.674 122.820 -0.108 0.000 1.930 161 A HA 0.116 4.436 4.320 -0.000 0.000 0.215 161 A C 2.201 179.469 177.584 -0.526 0.000 1.176 161 A CA 1.409 53.108 52.037 -0.564 0.000 0.632 161 A CB -0.628 18.042 19.000 -0.550 0.000 0.819 161 A HN 0.634 nan 8.150 nan 0.000 0.445 162 K N -0.488 119.726 120.400 -0.310 0.000 2.097 162 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 162 K C 2.226 178.682 176.600 -0.240 0.000 1.049 162 K CA 1.527 57.643 56.287 -0.286 0.000 0.933 162 K CB -0.126 32.274 32.500 -0.168 0.000 0.717 162 K HN 0.603 nan 8.250 nan 0.000 0.442 163 Q N -0.009 119.701 119.800 -0.151 0.000 2.123 163 Q HA -0.127 4.213 4.340 -0.000 0.000 0.199 163 Q C 2.048 178.020 176.000 -0.047 0.000 0.966 163 Q CA 0.815 56.580 55.803 -0.063 0.000 0.845 163 Q CB 0.039 28.782 28.738 0.008 0.000 0.907 163 Q HN 0.198 nan 8.270 nan 0.000 0.439 164 L N 0.540 121.710 121.223 -0.088 0.000 2.109 164 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 164 L C 2.105 178.911 176.870 -0.106 0.000 1.086 164 L CA 1.744 56.574 54.840 -0.017 0.000 0.760 164 L CB -0.709 41.360 42.059 0.016 0.000 0.910 164 L HN 0.085 nan 8.230 nan 0.000 0.437 165 A N -1.622 120.926 122.820 -0.455 0.000 1.877 165 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 165 A C 2.260 179.765 177.584 -0.131 0.000 1.186 165 A CA 2.247 53.961 52.037 -0.539 0.000 0.620 165 A CB -1.190 17.090 19.000 -1.200 0.000 0.822 165 A HN 0.458 nan 8.150 nan 0.000 0.443 166 T N 0.258 114.713 114.554 -0.165 0.000 2.665 166 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 166 T C 1.860 176.546 174.700 -0.024 0.000 1.035 166 T CA 1.611 63.648 62.100 -0.105 0.000 1.151 166 T CB -0.477 68.343 68.868 -0.081 0.000 0.862 166 T HN 0.388 nan 8.240 nan 0.000 0.438 167 L N 0.182 121.441 121.223 0.059 0.000 2.012 167 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 167 L C 2.243 179.227 176.870 0.190 0.000 1.073 167 L CA 1.600 56.519 54.840 0.133 0.000 0.748 167 L CB -0.425 41.749 42.059 0.192 0.000 0.891 167 L HN 0.223 nan 8.230 nan 0.000 0.431 168 F N -0.337 119.671 119.950 0.096 0.000 2.120 168 F HA -0.228 4.299 4.527 -0.000 0.000 0.300 168 F C 2.057 177.965 175.800 0.181 0.000 1.095 168 F CA 2.016 60.137 58.000 0.202 0.000 1.249 168 F CB -0.825 38.374 39.000 0.331 0.000 0.995 168 F HN -0.103 nan 8.300 nan 0.000 0.480 169 V N 1.029 120.783 119.914 -0.267 0.000 2.244 169 V HA -0.334 3.786 4.120 -0.000 0.000 0.244 169 V C 2.112 178.042 176.094 -0.274 0.000 1.042 169 V CA 2.352 64.320 62.300 -0.554 0.000 1.006 169 V CB -1.074 30.301 31.823 -0.747 0.000 0.641 169 V HN 0.379 nan 8.190 nan 0.000 0.446 170 N N 0.126 118.723 118.700 -0.172 0.000 2.096 170 N HA -0.261 4.479 4.740 -0.000 0.000 0.195 170 N C 1.699 177.165 175.510 -0.074 0.000 1.017 170 N CA 1.553 54.536 53.050 -0.112 0.000 0.870 170 N CB -0.251 38.213 38.487 -0.038 0.000 1.024 170 N HN 0.309 nan 8.380 nan 0.000 0.434 171 L N 0.460 121.682 121.223 -0.002 0.000 2.131 171 L HA 0.027 4.367 4.340 -0.000 0.000 0.206 171 L C 2.007 178.932 176.870 0.092 0.000 1.087 171 L CA 1.333 56.197 54.840 0.041 0.000 0.767 171 L CB -0.568 41.528 42.059 0.061 0.000 0.917 171 L HN 0.244 nan 8.230 nan 0.000 0.441 172 C N -1.488 117.862 119.300 0.083 0.000 2.457 172 C HA 0.006 4.466 4.460 -0.000 0.000 0.278 172 C C 2.271 177.387 174.990 0.209 0.000 1.309 172 C CA 0.997 60.131 59.018 0.193 0.000 1.735 172 C CB -0.354 27.462 27.740 0.127 0.000 1.992 172 C HN 0.553 nan 8.230 nan 0.000 0.493 173 V N -2.244 117.687 119.914 0.028 0.000 3.330 173 V HA 0.297 4.417 4.120 -0.000 0.000 0.309 173 V C 0.689 176.652 176.094 -0.218 0.000 1.481 173 V CA 0.848 63.120 62.300 -0.047 0.000 1.068 173 V CB -1.211 30.694 31.823 0.136 0.000 0.935 173 V HN 0.511 nan 8.190 nan 0.000 0.453 174 T N -1.291 113.076 114.554 -0.311 0.000 3.882 174 T HA -0.031 4.319 4.350 -0.000 0.000 0.366 174 T C 0.067 174.586 174.700 -0.303 0.000 0.760 174 T CA 1.268 63.151 62.100 -0.361 0.000 1.931 174 T CB -2.647 65.886 68.868 -0.558 0.000 1.807 174 T HN 2.473 nan 8.240 nan 0.000 0.790 175 A N -0.216 122.411 122.820 -0.321 0.000 2.609 175 A HA 0.737 5.057 4.320 -0.000 0.000 0.291 175 A C -0.501 176.855 177.584 -0.380 0.000 1.096 175 A CA -1.080 50.691 52.037 -0.444 0.000 0.684 175 A CB 1.196 19.712 19.000 -0.807 0.000 1.282 175 A HN 0.363 nan 8.150 nan 0.000 0.412 176 E N 0.442 120.381 120.200 -0.436 0.000 2.349 176 E HA 0.264 4.614 4.350 -0.000 0.000 0.265 176 E C 1.144 177.455 176.600 -0.482 0.000 1.064 176 E CA 0.474 56.599 56.400 -0.457 0.000 0.886 176 E CB 0.906 30.182 29.700 -0.708 0.000 1.036 176 E HN 0.795 nan 8.360 nan 0.000 0.413 177 T N -1.453 112.888 114.554 -0.353 0.000 2.833 177 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 177 T C 1.456 176.040 174.700 -0.193 0.000 1.054 177 T CA 1.570 63.506 62.100 -0.272 0.000 1.135 177 T CB -0.398 68.351 68.868 -0.198 0.000 0.869 177 T HN 0.625 nan 8.240 nan 0.000 0.466 178 H N 0.676 119.684 119.070 -0.102 0.000 2.563 178 H HA 0.235 4.791 4.556 -0.000 0.000 0.272 178 H C 1.398 176.697 175.328 -0.048 0.000 1.005 178 H CA 0.801 56.810 56.048 -0.065 0.000 1.171 178 H CB -0.187 29.538 29.762 -0.061 0.000 1.351 178 H HN 0.512 nan 8.280 nan 0.000 0.602 179 E N 1.232 121.240 120.200 -0.320 0.000 2.276 179 E HA 0.058 4.408 4.350 -0.000 0.000 0.193 179 E C 0.700 177.292 176.600 -0.013 0.000 0.983 179 E CA 0.393 56.683 56.400 -0.182 0.000 0.861 179 E CB 0.917 30.375 29.700 -0.404 0.000 0.817 179 E HN 0.358 nan 8.360 nan 0.000 0.485 180 V N -0.606 119.283 119.914 -0.041 0.000 2.581 180 V HA 0.426 4.546 4.120 -0.000 0.000 0.303 180 V C -0.037 176.182 176.094 0.208 0.000 1.041 180 V CA -1.170 61.208 62.300 0.130 0.000 0.907 180 V CB 1.790 33.714 31.823 0.168 0.000 0.994 180 V HN 0.004 nan 8.190 nan 0.000 0.442 181 S N 3.770 119.654 115.700 0.307 0.000 2.549 181 S HA 0.464 4.934 4.470 -0.000 0.000 0.283 181 S C 1.477 176.309 174.600 0.386 0.000 1.320 181 S CA 0.183 58.575 58.200 0.320 0.000 1.058 181 S CB 0.992 64.403 63.200 0.352 0.000 0.882 181 S HN 1.847 nan 8.310 nan 0.000 0.498 182 A N 4.826 127.806 122.820 0.266 0.000 1.883 182 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 182 A C 2.059 179.800 177.584 0.262 0.000 1.186 182 A CA 1.847 54.014 52.037 0.216 0.000 0.624 182 A CB -1.073 17.980 19.000 0.088 0.000 0.822 182 A HN 1.070 nan 8.150 nan 0.000 0.444 183 L N -1.488 119.928 121.223 0.322 0.000 2.012 183 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 183 L C 2.244 179.324 176.870 0.351 0.000 1.073 183 L CA 2.646 57.701 54.840 0.358 0.000 0.748 183 L CB -0.821 41.465 42.059 0.378 0.000 0.891 183 L HN 0.655 nan 8.230 nan 0.000 0.431 184 W N -0.481 120.955 121.300 0.228 0.000 2.335 184 W HA -0.299 4.361 4.660 -0.000 0.000 0.311 184 W C 2.351 179.107 176.519 0.395 0.000 1.213 184 W CA 2.062 59.556 57.345 0.247 0.000 1.274 184 W CB -0.683 28.895 29.460 0.197 0.000 1.148 184 W HN 0.306 nan 8.180 nan 0.000 0.498 185 F N 0.707 120.722 119.950 0.108 0.000 2.146 185 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 185 F C 2.075 177.774 175.800 -0.168 0.000 1.096 185 F CA 2.128 59.990 58.000 -0.231 0.000 1.275 185 F CB -0.702 38.291 39.000 -0.013 0.000 1.008 185 F HN -0.167 nan 8.300 nan 0.000 0.480 186 L N -1.334 119.870 121.223 -0.032 0.000 2.093 186 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 186 L C 2.266 179.034 176.870 -0.170 0.000 1.085 186 L CA 1.493 56.250 54.840 -0.138 0.000 0.755 186 L CB -0.998 41.008 42.059 -0.088 0.000 0.904 186 L HN 0.427 nan 8.230 nan 0.000 0.435 187 W N 0.160 121.307 121.300 -0.256 0.000 2.333 187 W HA -0.330 4.330 4.660 -0.000 0.000 0.316 187 W C 2.637 178.925 176.519 -0.386 0.000 1.215 187 W CA 1.727 58.909 57.345 -0.272 0.000 1.278 187 W CB -0.734 28.592 29.460 -0.223 0.000 1.154 187 W HN 0.109 nan 8.180 nan 0.000 0.486 188 Y N 0.704 120.530 120.300 -0.790 0.000 2.069 188 Y HA -0.364 4.186 4.550 -0.000 0.000 0.278 188 Y C 2.471 177.819 175.900 -0.920 0.000 1.175 188 Y CA 3.269 60.717 58.100 -1.087 0.000 1.134 188 Y CB -1.006 36.780 38.460 -1.124 0.000 0.965 188 Y HN -0.135 nan 8.280 nan 0.000 0.498 189 V N 0.822 120.296 119.914 -0.735 0.000 2.343 189 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 189 V C 2.271 178.025 176.094 -0.568 0.000 1.051 189 V CA 2.412 64.367 62.300 -0.575 0.000 1.036 189 V CB -0.841 30.727 31.823 -0.426 0.000 0.654 189 V HN 0.482 nan 8.190 nan 0.000 0.451 190 K N 1.959 122.040 120.400 -0.531 0.000 2.148 190 K HA -0.242 4.078 4.320 -0.000 0.000 0.204 190 K C 1.922 178.179 176.600 -0.571 0.000 1.050 190 K CA 1.910 57.927 56.287 -0.449 0.000 0.942 190 K CB -0.483 31.835 32.500 -0.303 0.000 0.724 190 K HN 0.591 nan 8.250 nan 0.000 0.446 191 Q N -0.433 118.875 119.800 -0.819 0.000 2.515 191 Q HA 0.043 4.383 4.340 -0.000 0.000 0.212 191 Q C 1.058 176.445 176.000 -1.020 0.000 0.970 191 Q CA 1.005 56.311 55.803 -0.828 0.000 0.941 191 Q CB -0.318 27.782 28.738 -1.063 0.000 0.998 191 Q HN 0.346 nan 8.270 nan 0.000 0.518 192 C N -0.714 117.871 119.300 -1.193 0.000 2.912 192 C HA 0.622 5.082 4.460 -0.000 0.000 0.274 192 C C 1.486 175.694 174.990 -1.303 0.000 1.248 192 C CA 0.117 58.009 59.018 -1.877 0.000 1.694 192 C CB -0.338 26.293 27.740 -1.847 0.000 2.024 192 C HN 0.788 nan 8.230 nan 0.000 0.605 193 G N 0.041 108.413 108.800 -0.713 0.000 2.148 193 G HA2 0.393 4.353 3.960 -0.000 0.000 0.157 193 G HA3 0.393 4.353 3.960 -0.000 0.000 0.157 193 G C 0.380 175.108 174.900 -0.286 0.000 1.012 193 G CA -0.057 44.809 45.100 -0.391 0.000 0.677 193 G HN 1.555 nan 8.290 nan 0.000 0.506 194 G N -1.635 106.978 108.800 -0.312 0.000 2.710 194 G HA2 0.269 4.229 3.960 -0.000 0.000 0.668 194 G HA3 0.269 4.229 3.960 -0.000 0.000 0.668 194 G C 1.132 175.949 174.900 -0.138 0.000 1.320 194 G CA 0.923 45.904 45.100 -0.198 0.000 0.860 194 G HN 1.848 nan 8.290 nan 0.000 0.538 195 T N -2.990 111.526 114.554 -0.063 0.000 2.708 195 T HA -0.129 4.220 4.350 -0.000 0.000 0.266 195 T C 2.353 176.969 174.700 -0.140 0.000 1.037 195 T CA 2.904 64.983 62.100 -0.035 0.000 1.146 195 T CB -0.837 68.069 68.868 0.063 0.000 0.865 195 T HN 0.974 nan 8.240 nan 0.000 0.435 196 T N 1.286 115.775 114.554 -0.108 0.000 2.684 196 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 196 T C 2.150 176.761 174.700 -0.149 0.000 1.036 196 T CA 1.702 63.715 62.100 -0.145 0.000 1.148 196 T CB -0.343 68.498 68.868 -0.045 0.000 0.863 196 T HN 0.337 nan 8.240 nan 0.000 0.436 197 R N 0.748 121.187 120.500 -0.103 0.000 2.081 197 R HA 0.135 4.475 4.340 -0.000 0.000 0.235 197 R C 2.222 178.523 176.300 0.001 0.000 1.131 197 R CA 1.207 57.277 56.100 -0.051 0.000 0.960 197 R CB -0.803 29.465 30.300 -0.054 0.000 0.856 197 R HN 0.457 nan 8.270 nan 0.000 0.436 198 I N 0.348 120.894 120.570 -0.040 0.000 2.315 198 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 198 I C 1.718 177.873 176.117 0.063 0.000 1.117 198 I CA 1.249 62.585 61.300 0.060 0.000 1.404 198 I CB 0.052 38.073 38.000 0.036 0.000 1.071 198 I HN 0.345 nan 8.210 nan 0.000 0.419 199 I N -2.692 117.837 120.570 -0.067 0.000 3.226 199 I HA 0.102 4.272 4.170 -0.000 0.000 0.277 199 I C 0.928 176.934 176.117 -0.186 0.000 1.243 199 I CA 0.067 61.277 61.300 -0.151 0.000 1.459 199 I CB -0.187 37.582 38.000 -0.384 0.000 1.093 199 I HN -0.107 nan 8.210 nan 0.000 0.453 200 S N 1.653 117.247 115.700 -0.178 0.000 2.528 200 S HA 0.191 4.661 4.470 -0.000 0.000 0.277 200 S C 1.036 175.580 174.600 -0.094 0.000 1.297 200 S CA -0.175 57.932 58.200 -0.155 0.000 1.052 200 S CB 1.342 64.456 63.200 -0.144 0.000 0.917 200 S HN 0.346 nan 8.310 nan 0.000 0.492 201 T N 3.064 117.567 114.554 -0.084 0.000 2.613 201 T HA -0.018 4.332 4.350 -0.000 0.000 0.248 201 T C 0.809 175.462 174.700 -0.078 0.000 1.107 201 T CA 0.818 62.869 62.100 -0.082 0.000 1.238 201 T CB -0.321 68.504 68.868 -0.072 0.000 0.899 201 T HN 0.585 nan 8.240 nan 0.000 0.400 202 T N 3.192 117.706 114.554 -0.066 0.000 2.908 202 T HA 0.084 4.434 4.350 -0.000 0.000 0.301 202 T C 0.732 175.398 174.700 -0.057 0.000 1.019 202 T CA 0.381 62.448 62.100 -0.054 0.000 1.152 202 T CB -0.150 68.693 68.868 -0.040 0.000 0.966 202 T HN 0.534 nan 8.240 nan 0.000 0.540 203 N N 0.864 119.533 118.700 -0.052 0.000 2.714 203 N HA -0.160 4.580 4.740 -0.000 0.000 0.250 203 N C 0.149 175.630 175.510 -0.048 0.000 1.117 203 N CA 1.390 54.413 53.050 -0.046 0.000 0.719 203 N CB -0.988 37.478 38.487 -0.034 0.000 1.081 203 N HN 0.942 nan 8.380 nan 0.000 0.557 204 G N -3.144 105.619 108.800 -0.062 0.000 2.947 204 G HA2 0.557 4.517 3.960 -0.000 0.000 0.293 204 G HA3 0.557 4.517 3.960 -0.000 0.000 0.293 204 G C 0.916 175.764 174.900 -0.087 0.000 1.243 204 G CA -0.018 45.055 45.100 -0.045 0.000 0.802 204 G HN 0.276 nan 8.290 nan 0.000 0.560 205 G N -0.892 107.876 108.800 -0.053 0.000 2.443 205 G HA2 0.084 4.044 3.960 -0.000 0.000 0.219 205 G HA3 0.084 4.044 3.960 -0.000 0.000 0.219 205 G C 1.031 175.843 174.900 -0.148 0.000 1.131 205 G CA 0.933 45.928 45.100 -0.176 0.000 0.775 205 G HN 0.389 nan 8.290 nan 0.000 0.547 206 Q N -0.278 119.451 119.800 -0.117 0.000 2.206 206 Q HA 0.290 4.630 4.340 -0.000 0.000 0.265 206 Q C 1.372 177.294 176.000 -0.130 0.000 0.866 206 Q CA -0.177 55.522 55.803 -0.173 0.000 1.073 206 Q CB 0.904 29.435 28.738 -0.344 0.000 1.165 206 Q HN 0.591 nan 8.270 nan 0.000 0.465 207 E N 0.801 120.932 120.200 -0.115 0.000 2.106 207 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 207 E C -0.080 176.448 176.600 -0.119 0.000 0.984 207 E CA 0.814 57.150 56.400 -0.108 0.000 0.806 207 E CB 0.447 30.081 29.700 -0.112 0.000 0.750 207 E HN 0.211 nan 8.360 nan 0.000 0.458 208 R N -0.884 119.525 120.500 -0.150 0.000 2.764 208 R HA 0.455 4.795 4.340 -0.000 0.000 0.270 208 R C -0.957 175.128 176.300 -0.358 0.000 1.014 208 R CA -0.836 55.095 56.100 -0.282 0.000 0.904 208 R CB 1.852 31.971 30.300 -0.302 0.000 1.236 208 R HN -0.168 nan 8.270 nan 0.000 0.466 209 K N 0.910 120.937 120.400 -0.622 0.000 2.444 209 K HA 0.423 4.743 4.320 -0.000 0.000 0.252 209 K C -0.969 175.337 176.600 -0.489 0.000 0.993 209 K CA -0.803 55.135 56.287 -0.581 0.000 0.847 209 K CB 1.686 33.895 32.500 -0.485 0.000 1.340 209 K HN 0.262 nan 8.250 nan 0.000 0.446 210 F N 1.113 121.016 119.950 -0.079 0.000 2.427 210 F HA 0.088 4.615 4.527 -0.000 0.000 0.352 210 F C 0.750 176.634 175.800 0.140 0.000 1.100 210 F CA -0.923 57.084 58.000 0.012 0.000 1.191 210 F CB 0.885 39.867 39.000 -0.030 0.000 1.128 210 F HN 0.025 nan 8.300 nan 0.000 0.533 211 V N 3.976 124.118 119.914 0.380 0.000 2.475 211 V HA 0.182 4.302 4.120 -0.000 0.000 0.292 211 V C 0.957 176.993 176.094 -0.097 0.000 1.003 211 V CA 1.358 63.794 62.300 0.227 0.000 1.120 211 V CB -0.005 31.913 31.823 0.159 0.000 0.937 211 V HN 1.122 nan 8.190 nan 0.000 0.476 212 G N 3.171 111.588 108.800 -0.639 0.000 2.213 212 G HA2 0.169 4.128 3.960 -0.000 0.000 0.236 212 G HA3 0.169 4.128 3.960 -0.000 0.000 0.236 212 G C 0.804 175.220 174.900 -0.806 0.000 0.991 212 G CA -0.051 44.383 45.100 -1.111 0.000 0.629 212 G HN 2.373 nan 8.290 nan 0.000 0.517 213 G N -1.638 106.974 108.800 -0.312 0.000 2.479 213 G HA2 0.408 4.368 3.960 -0.000 0.000 0.686 213 G HA3 0.408 4.368 3.960 -0.000 0.000 0.686 213 G C 0.685 175.609 174.900 0.041 0.000 1.295 213 G CA 0.909 45.999 45.100 -0.017 0.000 0.922 213 G HN 1.875 nan 8.290 nan 0.000 0.582 214 S N -1.126 114.630 115.700 0.093 0.000 2.502 214 S HA 0.320 4.790 4.470 -0.000 0.000 0.215 214 S C 2.418 177.018 174.600 0.001 0.000 1.009 214 S CA 1.248 59.490 58.200 0.070 0.000 0.908 214 S CB 0.484 63.814 63.200 0.215 0.000 0.801 214 S HN 2.145 nan 8.310 nan 0.000 0.505 215 G N 1.909 110.733 108.800 0.041 0.000 2.475 215 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 215 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 215 G C 1.429 176.321 174.900 -0.012 0.000 1.125 215 G CA 0.910 46.043 45.100 0.054 0.000 0.755 215 G HN 0.591 nan 8.290 nan 0.000 0.565 216 Q N -0.317 119.444 119.800 -0.065 0.000 2.217 216 Q HA -0.150 4.190 4.340 -0.000 0.000 0.209 216 Q C 2.785 178.706 176.000 -0.132 0.000 0.988 216 Q CA 1.488 57.225 55.803 -0.110 0.000 0.878 216 Q CB -0.305 28.336 28.738 -0.162 0.000 0.909 216 Q HN 0.469 nan 8.270 nan 0.000 0.424 217 V N 0.551 120.365 119.914 -0.166 0.000 2.270 217 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 217 V C 2.217 178.255 176.094 -0.094 0.000 1.043 217 V CA 2.177 64.371 62.300 -0.175 0.000 1.014 217 V CB -0.538 31.164 31.823 -0.201 0.000 0.645 217 V HN 0.417 nan 8.190 nan 0.000 0.447 218 S N -0.895 114.774 115.700 -0.052 0.000 2.446 218 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 218 S C 1.765 176.347 174.600 -0.029 0.000 1.016 218 S CA 0.881 59.064 58.200 -0.029 0.000 0.943 218 S CB -0.230 62.971 63.200 0.000 0.000 0.786 218 S HN 0.628 nan 8.310 nan 0.000 0.508 219 E N 1.694 121.878 120.200 -0.027 0.000 2.038 219 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 219 E C 2.397 178.972 176.600 -0.042 0.000 1.000 219 E CA 1.192 57.576 56.400 -0.025 0.000 0.803 219 E CB -0.086 29.601 29.700 -0.022 0.000 0.750 219 E HN 0.412 nan 8.360 nan 0.000 0.448 220 R N 0.072 120.538 120.500 -0.058 0.000 2.120 220 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 220 R C 2.370 178.633 176.300 -0.062 0.000 1.123 220 R CA 0.940 57.003 56.100 -0.062 0.000 0.975 220 R CB -0.242 30.013 30.300 -0.075 0.000 0.866 220 R HN 0.287 nan 8.270 nan 0.000 0.446 221 I N 0.620 121.152 120.570 -0.063 0.000 2.315 221 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 221 I C 2.656 178.727 176.117 -0.077 0.000 1.117 221 I CA 1.053 62.312 61.300 -0.069 0.000 1.404 221 I CB -0.186 37.779 38.000 -0.058 0.000 1.071 221 I HN 0.201 nan 8.210 nan 0.000 0.419 222 M N 0.799 120.363 119.600 -0.060 0.000 2.213 222 M HA -0.235 4.245 4.480 -0.000 0.000 0.263 222 M C 1.535 177.798 176.300 -0.061 0.000 1.062 222 M CA 1.888 57.154 55.300 -0.057 0.000 1.105 222 M CB -0.156 32.421 32.600 -0.038 0.000 1.385 222 M HN 0.129 nan 8.290 nan 0.000 0.417 223 D N 0.749 121.115 120.400 -0.056 0.000 2.097 223 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 223 D C 2.000 178.261 176.300 -0.065 0.000 0.984 223 D CA 1.387 55.357 54.000 -0.050 0.000 0.826 223 D CB -0.457 40.318 40.800 -0.042 0.000 0.973 223 D HN 0.423 nan 8.370 nan 0.000 0.460 224 L N 0.204 121.376 121.223 -0.086 0.000 2.265 224 L HA -0.072 4.267 4.340 -0.000 0.000 0.215 224 L C 2.017 178.766 176.870 -0.202 0.000 1.117 224 L CA 0.490 55.261 54.840 -0.115 0.000 0.782 224 L CB -0.130 41.858 42.059 -0.118 0.000 0.914 224 L HN 0.030 nan 8.230 nan 0.000 0.441 225 L N -1.113 119.991 121.223 -0.198 0.000 2.607 225 L HA 0.230 4.570 4.340 -0.000 0.000 0.228 225 L C 1.647 178.449 176.870 -0.112 0.000 1.123 225 L CA 0.126 54.820 54.840 -0.244 0.000 0.890 225 L CB -0.510 41.427 42.059 -0.204 0.000 1.103 225 L HN 0.373 nan 8.230 nan 0.000 0.468 226 G N 2.327 111.084 108.800 -0.070 0.000 2.652 226 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.318 226 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.318 226 G C 0.670 175.558 174.900 -0.021 0.000 1.295 226 G CA 0.627 45.709 45.100 -0.031 0.000 0.999 226 G HN 0.561 nan 8.290 nan 0.000 0.548 227 D N 0.724 121.123 120.400 -0.002 0.000 2.378 227 D HA -0.015 4.625 4.640 -0.000 0.000 0.227 227 D C 2.058 178.366 176.300 0.013 0.000 1.012 227 D CA 0.786 54.791 54.000 0.008 0.000 0.905 227 D CB -0.259 40.553 40.800 0.020 0.000 0.895 227 D HN 0.587 nan 8.370 nan 0.000 0.532 228 R N -0.033 120.468 120.500 0.002 0.000 2.148 228 R HA 0.063 4.403 4.340 -0.000 0.000 0.223 228 R C 0.420 176.712 176.300 -0.013 0.000 1.088 228 R CA 0.277 56.382 56.100 0.007 0.000 0.985 228 R CB 0.278 30.579 30.300 0.002 0.000 0.880 228 R HN 0.059 nan 8.270 nan 0.000 0.451 229 V N 3.060 122.957 119.914 -0.028 0.000 2.432 229 V HA 0.075 4.195 4.120 -0.000 0.000 0.271 229 V C -0.201 175.873 176.094 -0.034 0.000 1.046 229 V CA -0.097 62.178 62.300 -0.041 0.000 0.945 229 V CB 1.397 33.194 31.823 -0.043 0.000 0.992 229 V HN 0.070 nan 8.190 nan 0.000 0.471 230 K N 6.811 127.178 120.400 -0.054 0.000 2.404 230 K HA 0.497 4.817 4.320 -0.000 0.000 0.257 230 K C -0.497 176.069 176.600 -0.057 0.000 1.026 230 K CA -0.333 55.930 56.287 -0.039 0.000 0.951 230 K CB 1.419 33.900 32.500 -0.031 0.000 1.203 230 K HN 0.481 nan 8.250 nan 0.000 0.446 231 L N 1.019 122.217 121.223 -0.041 0.000 2.476 231 L HA 0.063 4.403 4.340 -0.000 0.000 0.255 231 L C 0.923 177.758 176.870 -0.057 0.000 1.218 231 L CA -0.094 54.713 54.840 -0.054 0.000 0.819 231 L CB -0.090 41.946 42.059 -0.039 0.000 1.119 231 L HN 0.692 nan 8.230 nan 0.000 0.485 232 E N -0.264 119.889 120.200 -0.078 0.000 2.539 232 E HA -0.233 4.117 4.350 -0.000 0.000 0.253 232 E C -0.547 176.002 176.600 -0.086 0.000 1.145 232 E CA 0.469 56.820 56.400 -0.083 0.000 0.738 232 E CB -0.494 29.178 29.700 -0.047 0.000 1.308 232 E HN 0.292 nan 8.360 nan 0.000 0.409 233 R N 0.025 120.458 120.500 -0.111 0.000 2.724 233 R HA 0.261 4.601 4.340 -0.000 0.000 0.284 233 R C -2.717 173.502 176.300 -0.135 0.000 1.481 233 R CA -2.064 53.979 56.100 -0.095 0.000 1.652 233 R CB 0.691 30.942 30.300 -0.082 0.000 1.175 233 R HN -0.027 nan 8.270 nan 0.000 0.613 234 P HA 0.041 nan 4.420 nan 0.000 0.276 234 P C -0.179 177.089 177.300 -0.052 0.000 1.253 234 P CA -0.190 62.814 63.100 -0.159 0.000 0.766 234 P CB 0.920 32.533 31.700 -0.144 0.000 0.845 235 V N 5.456 125.348 119.914 -0.036 0.000 2.655 235 V HA 0.012 4.132 4.120 -0.000 0.000 0.300 235 V C 1.747 177.860 176.094 0.033 0.000 1.044 235 V CA 0.651 62.948 62.300 -0.005 0.000 1.095 235 V CB 0.215 32.026 31.823 -0.020 0.000 0.952 235 V HN 0.545 nan 8.190 nan 0.000 0.485 236 I N 1.292 121.890 120.570 0.047 0.000 4.526 236 I HA 0.463 4.633 4.170 -0.000 0.000 0.330 236 I C -0.145 176.052 176.117 0.132 0.000 1.323 236 I CA -0.073 61.279 61.300 0.088 0.000 1.218 236 I CB 0.613 38.650 38.000 0.061 0.000 1.233 236 I HN 0.498 nan 8.210 nan 0.000 0.430 237 Y N 1.749 121.992 120.300 -0.094 0.000 2.390 237 Y HA 0.692 5.242 4.550 0.000 0.000 0.324 237 Y C -1.922 173.887 175.900 -0.152 0.000 1.151 237 Y CA -1.117 56.909 58.100 -0.124 0.000 1.053 237 Y CB 1.588 40.010 38.460 -0.064 0.000 1.277 237 Y HN -0.002 nan 8.280 nan 0.000 0.432 238 I N 5.697 125.855 120.570 -0.686 0.000 2.465 238 I HA 0.345 4.515 4.170 -0.000 0.000 0.291 238 I C -1.362 174.385 176.117 -0.616 0.000 1.014 238 I CA -0.637 60.367 61.300 -0.493 0.000 1.093 238 I CB 1.834 39.645 38.000 -0.315 0.000 1.267 238 I HN 0.555 nan 8.210 nan 0.000 0.431 239 D N 5.493 125.662 120.400 -0.385 0.000 2.549 239 D HA 0.278 4.918 4.640 -0.000 0.000 0.251 239 D C -0.400 175.859 176.300 -0.069 0.000 1.153 239 D CA -0.249 53.590 54.000 -0.269 0.000 0.861 239 D CB 1.687 42.422 40.800 -0.109 0.000 1.207 239 D HN 0.485 nan 8.370 nan 0.000 0.543 240 Q N 1.869 121.653 119.800 -0.027 0.000 2.179 240 Q HA 0.118 4.458 4.340 -0.000 0.000 0.213 240 Q C 0.980 176.986 176.000 0.010 0.000 0.833 240 Q CA -0.033 55.771 55.803 0.002 0.000 0.990 240 Q CB 0.866 29.615 28.738 0.018 0.000 1.132 240 Q HN 0.478 nan 8.270 nan 0.000 0.493 241 T N 0.398 114.964 114.554 0.020 0.000 2.746 241 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 241 T C 1.087 175.799 174.700 0.019 0.000 1.039 241 T CA 1.144 63.260 62.100 0.027 0.000 1.142 241 T CB 0.103 68.998 68.868 0.044 0.000 0.866 241 T HN 0.154 nan 8.240 nan 0.000 0.444 242 R N 0.596 121.107 120.500 0.018 0.000 2.584 242 R HA 0.276 4.616 4.340 -0.000 0.000 0.253 242 R C 1.993 178.291 176.300 -0.003 0.000 1.251 242 R CA -0.295 55.811 56.100 0.011 0.000 1.129 242 R CB 0.168 30.477 30.300 0.016 0.000 1.239 242 R HN 0.138 nan 8.270 nan 0.000 0.595 243 E N 0.385 120.580 120.200 -0.008 0.000 2.031 243 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 243 E C -0.219 176.356 176.600 -0.041 0.000 0.994 243 E CA 1.054 57.440 56.400 -0.023 0.000 0.800 243 E CB 0.116 29.805 29.700 -0.018 0.000 0.752 243 E HN 0.300 nan 8.360 nan 0.000 0.447 244 N N 0.192 118.874 118.700 -0.030 0.000 2.492 244 N HA 0.144 4.884 4.740 -0.000 0.000 0.289 244 N C -0.816 174.680 175.510 -0.022 0.000 1.133 244 N CA -0.239 52.789 53.050 -0.038 0.000 0.961 244 N CB 1.958 40.433 38.487 -0.020 0.000 1.186 244 N HN -0.171 nan 8.380 nan 0.000 0.493 245 V N 2.411 122.308 119.914 -0.027 0.000 2.488 245 V HA 0.244 4.364 4.120 -0.000 0.000 0.277 245 V C 0.500 176.608 176.094 0.023 0.000 1.046 245 V CA -0.493 61.804 62.300 -0.005 0.000 0.986 245 V CB 0.368 32.188 31.823 -0.005 0.000 0.989 245 V HN 0.367 nan 8.190 nan 0.000 0.475 246 L N 5.661 126.904 121.223 0.033 0.000 2.289 246 L HA 0.590 4.930 4.340 -0.000 0.000 0.285 246 L C -0.447 176.465 176.870 0.070 0.000 1.049 246 L CA -0.398 54.486 54.840 0.072 0.000 0.804 246 L CB 1.669 43.792 42.059 0.106 0.000 1.195 246 L HN 0.397 nan 8.230 nan 0.000 0.428 247 V N 2.584 122.568 119.914 0.116 0.000 2.487 247 V HA 0.432 4.552 4.120 -0.000 0.000 0.298 247 V C -0.396 175.813 176.094 0.190 0.000 1.028 247 V CA -0.674 61.689 62.300 0.106 0.000 0.860 247 V CB 1.789 33.657 31.823 0.076 0.000 0.991 247 V HN 0.739 nan 8.190 nan 0.000 0.427 248 E N 2.457 122.766 120.200 0.183 0.000 2.222 248 E HA 0.610 4.960 4.350 -0.000 0.000 0.267 248 E C -0.476 176.201 176.600 0.128 0.000 0.884 248 E CA -0.459 56.057 56.400 0.193 0.000 0.764 248 E CB 2.183 32.009 29.700 0.209 0.000 1.169 248 E HN 0.871 nan 8.360 nan 0.000 0.413 249 T N 0.903 115.526 114.554 0.115 0.000 2.912 249 T HA 0.187 4.537 4.350 -0.000 0.000 0.280 249 T C 1.042 175.716 174.700 -0.044 0.000 0.989 249 T CA -0.763 61.361 62.100 0.041 0.000 0.995 249 T CB 1.057 69.962 68.868 0.062 0.000 1.077 249 T HN 0.426 nan 8.240 nan 0.000 0.531 250 L N 1.662 122.836 121.223 -0.081 0.000 2.131 250 L HA 0.016 4.356 4.340 -0.000 0.000 0.210 250 L C 2.039 178.682 176.870 -0.380 0.000 1.092 250 L CA 2.090 56.833 54.840 -0.163 0.000 0.759 250 L CB -1.082 40.929 42.059 -0.080 0.000 0.903 250 L HN 0.942 nan 8.230 nan 0.000 0.435 251 N N -2.350 116.182 118.700 -0.281 0.000 2.461 251 N HA -0.090 4.650 4.740 -0.000 0.000 0.188 251 N C 0.342 175.696 175.510 -0.260 0.000 1.134 251 N CA 0.979 53.845 53.050 -0.307 0.000 0.878 251 N CB -0.257 38.184 38.487 -0.077 0.000 0.972 251 N HN 0.595 nan 8.380 nan 0.000 0.456 252 H N -3.552 115.531 119.070 0.021 0.000 3.615 252 H HA -0.117 4.439 4.556 -0.000 0.000 0.163 252 H C -0.906 174.425 175.328 0.006 0.000 0.853 252 H CA 0.545 56.596 56.048 0.004 0.000 1.227 252 H CB -1.703 28.050 29.762 -0.015 0.000 0.912 252 H HN 0.346 nan 8.280 nan 0.000 0.442 253 E N 2.149 122.412 120.200 0.106 0.000 2.398 253 E HA 0.209 4.559 4.350 -0.000 0.000 0.263 253 E C 0.172 176.794 176.600 0.037 0.000 1.046 253 E CA 0.151 56.571 56.400 0.034 0.000 0.908 253 E CB 0.553 30.295 29.700 0.071 0.000 0.963 253 E HN 0.094 nan 8.360 nan 0.000 0.431 254 M N 2.608 122.134 119.600 -0.124 0.000 2.364 254 M HA 0.350 4.830 4.480 -0.000 0.000 0.334 254 M C -1.177 174.965 176.300 -0.263 0.000 1.107 254 M CA -0.556 54.712 55.300 -0.053 0.000 0.988 254 M CB 0.940 33.521 32.600 -0.032 0.000 1.673 254 M HN 0.455 nan 8.290 nan 0.000 0.441 255 Y N 0.195 120.513 120.300 0.030 0.000 2.446 255 Y HA 0.482 5.032 4.550 -0.000 0.000 0.345 255 Y C -0.020 175.893 175.900 0.022 0.000 0.984 255 Y CA -0.686 57.427 58.100 0.022 0.000 1.058 255 Y CB 1.890 40.361 38.460 0.018 0.000 1.220 255 Y HN 0.569 nan 8.280 nan 0.000 0.455 256 E N 1.500 121.784 120.200 0.141 0.000 2.210 256 E HA 0.839 5.189 4.350 -0.000 0.000 0.266 256 E C -1.434 175.211 176.600 0.075 0.000 0.883 256 E CA -0.837 55.611 56.400 0.081 0.000 0.761 256 E CB 1.855 31.578 29.700 0.038 0.000 1.156 256 E HN 0.730 nan 8.360 nan 0.000 0.412 257 A N 2.863 125.711 122.820 0.047 0.000 2.572 257 A HA 0.331 4.651 4.320 -0.000 0.000 0.295 257 A C 0.090 177.654 177.584 -0.033 0.000 1.072 257 A CA -0.637 51.420 52.037 0.032 0.000 0.691 257 A CB 1.419 20.457 19.000 0.064 0.000 1.291 257 A HN 0.645 nan 8.150 nan 0.000 0.404 258 K N -0.498 119.864 120.400 -0.065 0.000 2.147 258 K HA -0.006 4.314 4.320 -0.000 0.000 0.205 258 K C -0.582 175.692 176.600 -0.543 0.000 1.049 258 K CA 1.682 57.801 56.287 -0.281 0.000 0.936 258 K CB -0.127 32.239 32.500 -0.223 0.000 0.722 258 K HN 0.624 nan 8.250 nan 0.000 0.446 259 Y N -1.582 118.740 120.300 0.037 0.000 2.615 259 Y HA 0.395 4.945 4.550 -0.000 0.000 0.341 259 Y C -0.741 175.186 175.900 0.044 0.000 1.089 259 Y CA -1.293 56.841 58.100 0.057 0.000 1.049 259 Y CB 2.025 40.497 38.460 0.020 0.000 1.296 259 Y HN -0.439 nan 8.280 nan 0.000 0.470 260 V N 3.184 123.247 119.914 0.247 0.000 2.709 260 V HA 0.444 4.564 4.120 -0.000 0.000 0.308 260 V C -0.719 175.427 176.094 0.088 0.000 1.062 260 V CA -0.839 61.532 62.300 0.119 0.000 0.901 260 V CB 2.092 33.953 31.823 0.062 0.000 1.003 260 V HN 0.532 nan 8.190 nan 0.000 0.425 261 I N 3.142 123.734 120.570 0.037 0.000 2.339 261 I HA 0.358 4.528 4.170 -0.000 0.000 0.290 261 I C 0.249 176.365 176.117 -0.001 0.000 0.994 261 I CA -0.102 61.203 61.300 0.007 0.000 1.191 261 I CB 1.840 39.847 38.000 0.012 0.000 1.343 261 I HN 0.618 nan 8.210 nan 0.000 0.458 262 S N 5.469 121.147 115.700 -0.035 0.000 2.410 262 S HA 0.575 5.045 4.470 -0.000 0.000 0.304 262 S C 0.297 174.992 174.600 0.158 0.000 1.095 262 S CA -0.421 57.824 58.200 0.076 0.000 1.089 262 S CB 0.819 64.105 63.200 0.144 0.000 0.968 262 S HN 0.725 nan 8.310 nan 0.000 0.480 263 A N 5.705 128.605 122.820 0.132 0.000 2.749 263 A HA 0.455 4.775 4.320 -0.000 0.000 0.299 263 A C 0.279 177.948 177.584 0.141 0.000 1.105 263 A CA -0.668 51.452 52.037 0.138 0.000 0.987 263 A CB -0.516 18.540 19.000 0.094 0.000 1.180 263 A HN 0.932 nan 8.150 nan 0.000 0.528 264 I N -3.541 117.129 120.570 0.167 0.000 2.707 264 I HA 0.687 4.857 4.170 -0.000 0.000 0.309 264 I C -2.854 173.361 176.117 0.162 0.000 1.001 264 I CA -2.990 58.404 61.300 0.157 0.000 1.129 264 I CB 1.381 39.477 38.000 0.159 0.000 1.308 264 I HN -0.143 nan 8.210 nan 0.000 0.466 265 P HA 0.128 nan 4.420 nan 0.000 0.264 265 P C -2.180 175.174 177.300 0.090 0.000 1.183 265 P CA -0.651 62.520 63.100 0.118 0.000 0.763 265 P CB -0.037 31.721 31.700 0.097 0.000 0.807 266 P HA -0.258 nan 4.420 nan 0.000 0.214 266 P C 1.633 178.913 177.300 -0.032 0.000 1.172 266 P CA 2.070 65.170 63.100 0.000 0.000 0.925 266 P CB -0.421 31.252 31.700 -0.045 0.000 0.793 267 T N -1.387 113.123 114.554 -0.074 0.000 2.897 267 T HA -0.095 4.255 4.350 -0.000 0.000 0.271 267 T C 1.427 176.110 174.700 -0.027 0.000 1.084 267 T CA 0.727 62.770 62.100 -0.094 0.000 1.123 267 T CB -0.809 67.974 68.868 -0.142 0.000 0.865 267 T HN -0.034 nan 8.240 nan 0.000 0.496 268 L N 0.186 121.425 121.223 0.026 0.000 2.599 268 L HA 0.208 4.548 4.340 -0.000 0.000 0.230 268 L C 2.566 179.503 176.870 0.112 0.000 1.141 268 L CA 0.467 55.346 54.840 0.064 0.000 0.877 268 L CB -0.437 41.682 42.059 0.100 0.000 1.009 268 L HN 0.325 nan 8.230 nan 0.000 0.447 269 G N -0.493 108.383 108.800 0.127 0.000 2.534 269 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 269 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 269 G C 1.582 176.619 174.900 0.229 0.000 1.128 269 G CA -0.036 45.201 45.100 0.229 0.000 0.784 269 G HN 0.129 nan 8.290 nan 0.000 0.542 270 M N 0.408 120.069 119.600 0.102 0.000 2.346 270 M HA -0.010 4.470 4.480 -0.000 0.000 0.263 270 M C 1.950 178.276 176.300 0.044 0.000 1.064 270 M CA 1.030 56.361 55.300 0.051 0.000 1.083 270 M CB -0.411 32.180 32.600 -0.014 0.000 1.399 270 M HN 0.151 nan 8.290 nan 0.000 0.435 271 K N 0.086 120.532 120.400 0.076 0.000 2.487 271 K HA 0.211 4.531 4.320 -0.000 0.000 0.192 271 K C 0.303 176.969 176.600 0.110 0.000 1.027 271 K CA 0.325 56.663 56.287 0.084 0.000 1.054 271 K CB 0.252 32.818 32.500 0.109 0.000 0.824 271 K HN 0.331 nan 8.250 nan 0.000 0.510 272 I N 0.905 121.515 120.570 0.066 0.000 2.474 272 I HA 0.138 4.308 4.170 -0.000 0.000 0.294 272 I C 0.087 176.105 176.117 -0.164 0.000 1.005 272 I CA -0.763 60.488 61.300 -0.082 0.000 1.113 272 I CB 1.578 39.380 38.000 -0.330 0.000 1.289 272 I HN 0.033 nan 8.210 nan 0.000 0.436 273 H N 5.982 124.944 119.070 -0.179 0.000 2.620 273 H HA 0.325 4.881 4.556 0.000 0.000 0.313 273 H C -1.077 174.075 175.328 -0.294 0.000 1.075 273 H CA -0.165 55.853 56.048 -0.049 0.000 1.397 273 H CB 1.063 30.917 29.762 0.153 0.000 1.446 273 H HN 0.298 nan 8.280 nan 0.000 0.493 274 F N 1.877 121.858 119.950 0.052 0.000 2.458 274 F HA 0.196 4.723 4.527 0.000 0.000 0.330 274 F C 0.585 176.348 175.800 -0.061 0.000 1.082 274 F CA -0.692 57.269 58.000 -0.066 0.000 0.995 274 F CB 1.417 40.397 39.000 -0.033 0.000 1.170 274 F HN 0.489 nan 8.300 nan 0.000 0.478 275 N N 3.378 122.100 118.700 0.038 0.000 2.519 275 N HA 0.367 5.107 4.740 -0.000 0.000 0.291 275 N C -3.148 172.385 175.510 0.039 0.000 1.107 275 N CA -2.133 50.945 53.050 0.047 0.000 0.904 275 N CB 2.180 40.693 38.487 0.044 0.000 1.500 275 N HN 0.053 nan 8.380 nan 0.000 0.510 276 P HA 0.291 nan 4.420 nan 0.000 0.272 276 P C -2.568 174.786 177.300 0.091 0.000 1.240 276 P CA -0.848 62.293 63.100 0.069 0.000 0.791 276 P CB -0.410 31.317 31.700 0.045 0.000 0.978 277 P HA -0.017 nan 4.420 nan 0.000 0.268 277 P C 0.060 177.364 177.300 0.006 0.000 1.189 277 P CA 0.602 63.745 63.100 0.072 0.000 0.771 277 P CB 0.131 31.859 31.700 0.047 0.000 0.822 278 L N 3.879 125.061 121.223 -0.069 0.000 2.467 278 L HA 0.167 4.507 4.340 -0.000 0.000 0.270 278 L C -1.634 175.178 176.870 -0.097 0.000 1.205 278 L CA -1.671 53.064 54.840 -0.174 0.000 0.828 278 L CB -0.722 41.138 42.059 -0.332 0.000 1.101 278 L HN 0.311 nan 8.230 nan 0.000 0.479 279 P HA -0.097 nan 4.420 nan 0.000 0.266 279 P C 0.695 177.959 177.300 -0.061 0.000 1.193 279 P CA 0.064 63.126 63.100 -0.063 0.000 0.770 279 P CB 0.440 32.101 31.700 -0.064 0.000 0.836 280 M N 2.559 122.135 119.600 -0.039 0.000 2.088 280 M HA -0.257 4.223 4.480 -0.000 0.000 0.256 280 M C 1.282 177.579 176.300 -0.005 0.000 1.071 280 M CA 2.321 57.607 55.300 -0.024 0.000 1.097 280 M CB -0.407 32.183 32.600 -0.017 0.000 1.315 280 M HN 0.196 nan 8.290 nan 0.000 0.406 281 M N -0.136 119.457 119.600 -0.012 0.000 2.082 281 M HA -0.224 4.256 4.480 -0.000 0.000 0.258 281 M C 2.301 178.629 176.300 0.048 0.000 1.069 281 M CA 2.155 57.477 55.300 0.035 0.000 1.102 281 M CB -1.602 30.968 32.600 -0.050 0.000 1.336 281 M HN 0.427 nan 8.290 nan 0.000 0.404 282 R N 0.246 120.709 120.500 -0.060 0.000 2.062 282 R HA -0.153 4.187 4.340 -0.000 0.000 0.229 282 R C 2.035 178.246 176.300 -0.148 0.000 1.128 282 R CA 1.882 57.900 56.100 -0.136 0.000 0.960 282 R CB -0.378 29.796 30.300 -0.210 0.000 0.855 282 R HN 0.379 nan 8.270 nan 0.000 0.432 283 N N 0.178 118.799 118.700 -0.131 0.000 2.096 283 N HA -0.258 4.482 4.740 -0.000 0.000 0.195 283 N C 1.635 177.075 175.510 -0.118 0.000 1.017 283 N CA 2.159 55.138 53.050 -0.117 0.000 0.870 283 N CB -0.014 38.425 38.487 -0.079 0.000 1.024 283 N HN 0.408 nan 8.380 nan 0.000 0.434 284 Q N -1.290 118.453 119.800 -0.095 0.000 2.163 284 Q HA -0.030 4.310 4.340 -0.000 0.000 0.198 284 Q C 1.987 177.752 176.000 -0.392 0.000 0.954 284 Q CA 0.611 56.313 55.803 -0.167 0.000 0.851 284 Q CB -0.094 28.618 28.738 -0.044 0.000 0.928 284 Q HN 0.491 nan 8.270 nan 0.000 0.459 285 M N 1.577 120.962 119.600 -0.359 0.000 2.082 285 M HA -0.184 4.295 4.480 -0.000 0.000 0.258 285 M C 2.003 178.065 176.300 -0.397 0.000 1.069 285 M CA 1.715 56.731 55.300 -0.473 0.000 1.102 285 M CB -0.541 31.978 32.600 -0.134 0.000 1.336 285 M HN 0.319 nan 8.290 nan 0.000 0.404 286 I N -1.285 119.117 120.570 -0.280 0.000 3.241 286 I HA -0.087 4.083 4.170 -0.000 0.000 0.280 286 I C 1.326 177.301 176.117 -0.236 0.000 1.320 286 I CA 1.387 62.546 61.300 -0.236 0.000 1.413 286 I CB -0.926 36.977 38.000 -0.162 0.000 1.060 286 I HN 0.333 nan 8.210 nan 0.000 0.500 287 T N -2.775 111.613 114.554 -0.277 0.000 3.054 287 T HA 0.305 4.655 4.350 -0.000 0.000 0.255 287 T C 1.415 175.930 174.700 -0.309 0.000 1.035 287 T CA -0.277 61.674 62.100 -0.247 0.000 0.941 287 T CB -0.016 68.732 68.868 -0.199 0.000 1.026 287 T HN 0.402 nan 8.240 nan 0.000 0.533 288 R N 1.204 121.456 120.500 -0.413 0.000 2.509 288 R HA 0.342 4.682 4.340 -0.000 0.000 0.300 288 R C -0.092 175.866 176.300 -0.570 0.000 0.985 288 R CA -0.048 55.777 56.100 -0.458 0.000 1.092 288 R CB 1.212 31.183 30.300 -0.549 0.000 1.237 288 R HN 0.425 nan 8.270 nan 0.000 0.546 289 V N -0.902 118.667 119.914 -0.576 0.000 2.383 289 V HA 0.471 4.591 4.120 -0.000 0.000 0.261 289 V C -2.660 173.076 176.094 -0.597 0.000 0.987 289 V CA -2.401 59.446 62.300 -0.755 0.000 0.853 289 V CB 0.624 31.969 31.823 -0.796 0.000 1.095 289 V HN -0.098 nan 8.190 nan 0.000 0.461 290 P HA 0.503 nan 4.420 nan 0.000 0.276 290 P C -0.576 176.479 177.300 -0.408 0.000 1.244 290 P CA -0.340 62.459 63.100 -0.502 0.000 0.801 290 P CB 1.988 33.364 31.700 -0.539 0.000 1.006 291 L N 0.557 121.695 121.223 -0.141 0.000 2.352 291 L HA 0.591 4.931 4.340 -0.000 0.000 0.269 291 L C 1.477 178.419 176.870 0.120 0.000 1.034 291 L CA -0.261 54.581 54.840 0.003 0.000 0.806 291 L CB 0.666 42.737 42.059 0.020 0.000 1.244 291 L HN 0.459 nan 8.230 nan 0.000 0.447 292 G N -0.072 108.798 108.800 0.117 0.000 2.653 292 G HA2 0.451 4.411 3.960 -0.000 0.000 0.265 292 G HA3 0.451 4.411 3.960 -0.000 0.000 0.265 292 G C -0.856 174.028 174.900 -0.028 0.000 1.237 292 G CA -0.376 44.734 45.100 0.017 0.000 0.946 292 G HN 0.508 nan 8.290 nan 0.000 0.522 293 S N -1.351 114.303 115.700 -0.078 0.000 2.561 293 S HA 0.612 5.082 4.470 -0.000 0.000 0.303 293 S C -0.981 173.586 174.600 -0.055 0.000 1.110 293 S CA -0.567 57.617 58.200 -0.027 0.000 1.034 293 S CB 1.721 64.916 63.200 -0.008 0.000 1.010 293 S HN 0.847 nan 8.310 nan 0.000 0.482 294 V N 4.421 124.353 119.914 0.030 0.000 3.077 294 V HA 0.565 4.685 4.120 -0.000 0.000 0.299 294 V C -1.980 174.254 176.094 0.233 0.000 1.276 294 V CA -0.795 61.553 62.300 0.081 0.000 0.993 294 V CB 1.802 33.618 31.823 -0.012 0.000 1.076 294 V HN 0.903 nan 8.190 nan 0.000 0.434 295 I N 5.062 125.785 120.570 0.255 0.000 2.389 295 I HA 0.513 4.683 4.170 -0.000 0.000 0.288 295 I C -0.161 176.178 176.117 0.370 0.000 0.999 295 I CA -0.669 60.800 61.300 0.282 0.000 1.129 295 I CB 1.721 39.830 38.000 0.182 0.000 1.288 295 I HN 0.507 nan 8.210 nan 0.000 0.444 296 K N 5.400 126.052 120.400 0.421 0.000 2.234 296 K HA 0.571 4.891 4.320 -0.000 0.000 0.282 296 K C -1.390 175.311 176.600 0.168 0.000 1.039 296 K CA -0.317 56.183 56.287 0.356 0.000 0.928 296 K CB 1.011 33.776 32.500 0.442 0.000 1.039 296 K HN 0.695 nan 8.250 nan 0.000 0.470 297 C N 5.379 124.735 119.300 0.093 0.000 2.431 297 C HA 0.529 4.989 4.460 -0.000 0.000 0.321 297 C C -0.808 174.201 174.990 0.032 0.000 1.202 297 C CA -1.174 57.886 59.018 0.069 0.000 1.398 297 C CB -0.088 27.788 27.740 0.227 0.000 2.047 297 C HN 0.700 nan 8.230 nan 0.000 0.465 298 I N 2.951 123.481 120.570 -0.065 0.000 2.406 298 I HA 0.534 4.704 4.170 -0.000 0.000 0.290 298 I C -0.236 175.849 176.117 -0.053 0.000 0.999 298 I CA -0.267 60.959 61.300 -0.123 0.000 1.124 298 I CB 1.498 39.379 38.000 -0.199 0.000 1.289 298 I HN 0.342 nan 8.210 nan 0.000 0.441 299 V N 6.750 126.606 119.914 -0.097 0.000 2.384 299 V HA 0.388 4.508 4.120 -0.000 0.000 0.287 299 V C -0.790 175.052 176.094 -0.421 0.000 1.020 299 V CA -0.714 61.547 62.300 -0.064 0.000 0.850 299 V CB 1.127 32.979 31.823 0.049 0.000 0.987 299 V HN 0.419 nan 8.190 nan 0.000 0.436 300 Y N 4.357 124.581 120.300 -0.127 0.000 2.323 300 Y HA 0.617 5.167 4.550 0.000 0.000 0.331 300 Y C -0.237 175.537 175.900 -0.209 0.000 1.092 300 Y CA -0.218 57.862 58.100 -0.033 0.000 1.150 300 Y CB 1.199 39.746 38.460 0.145 0.000 1.200 300 Y HN 0.526 nan 8.280 nan 0.000 0.472 301 Y N 0.413 120.952 120.300 0.399 0.000 2.576 301 Y HA 0.267 4.817 4.550 0.000 0.000 0.346 301 Y C 1.148 177.193 175.900 0.241 0.000 1.018 301 Y CA -1.367 56.945 58.100 0.353 0.000 1.050 301 Y CB 1.971 40.737 38.460 0.510 0.000 1.280 301 Y HN 0.517 nan 8.280 nan 0.000 0.474 302 K N 0.506 121.123 120.400 0.361 0.000 2.113 302 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 302 K C -0.300 176.369 176.600 0.115 0.000 1.047 302 K CA 1.788 58.183 56.287 0.179 0.000 0.928 302 K CB 0.193 32.770 32.500 0.129 0.000 0.716 302 K HN 0.695 nan 8.250 nan 0.000 0.446 303 E N -1.279 119.002 120.200 0.135 0.000 2.390 303 E HA 0.190 4.540 4.350 -0.000 0.000 0.277 303 E C -2.698 173.772 176.600 -0.216 0.000 0.939 303 E CA -2.204 54.183 56.400 -0.022 0.000 0.769 303 E CB 2.312 31.994 29.700 -0.030 0.000 1.251 303 E HN -0.091 nan 8.360 nan 0.000 0.450 304 P HA 0.004 nan 4.420 nan 0.000 0.238 304 P C 0.519 176.946 177.300 -1.455 0.000 1.729 304 P CA 0.153 62.400 63.100 -1.422 0.000 1.055 304 P CB -0.998 30.164 31.700 -0.895 0.000 1.980 305 F N 0.191 119.582 119.950 -0.931 0.000 2.154 305 F HA -0.185 4.342 4.527 -0.000 0.000 0.301 305 F C 1.883 177.507 175.800 -0.293 0.000 1.087 305 F CA 0.256 57.994 58.000 -0.438 0.000 1.274 305 F CB -1.978 36.896 39.000 -0.211 0.000 1.009 305 F HN 0.127 nan 8.300 nan 0.000 0.485 306 W N 1.499 122.471 121.300 -0.547 0.000 2.325 306 W HA -0.104 4.556 4.660 -0.000 0.000 0.299 306 W C 2.157 178.612 176.519 -0.106 0.000 1.215 306 W CA 1.292 58.494 57.345 -0.238 0.000 1.244 306 W CB -1.210 28.063 29.460 -0.312 0.000 1.140 306 W HN -0.106 nan 8.180 nan 0.000 0.523 307 R N 1.113 121.412 120.500 -0.335 0.000 2.096 307 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 307 R C 2.060 178.282 176.300 -0.130 0.000 1.127 307 R CA 1.769 57.768 56.100 -0.169 0.000 0.968 307 R CB -0.619 29.532 30.300 -0.248 0.000 0.861 307 R HN 0.270 nan 8.270 nan 0.000 0.440 308 K N 0.870 121.182 120.400 -0.146 0.000 2.280 308 K HA -0.102 4.218 4.320 -0.000 0.000 0.202 308 K C 1.448 177.979 176.600 -0.115 0.000 1.047 308 K CA 1.104 57.329 56.287 -0.104 0.000 0.942 308 K CB 0.119 32.573 32.500 -0.077 0.000 0.739 308 K HN 0.070 nan 8.250 nan 0.000 0.457 309 K N 0.407 120.712 120.400 -0.159 0.000 2.437 309 K HA -0.038 4.282 4.320 -0.000 0.000 0.198 309 K C -0.431 175.870 176.600 -0.499 0.000 1.024 309 K CA 0.184 56.273 56.287 -0.330 0.000 1.148 309 K CB 0.407 32.654 32.500 -0.422 0.000 0.860 309 K HN 0.037 nan 8.250 nan 0.000 0.515 310 D N -0.010 120.243 120.400 -0.246 0.000 2.870 310 D HA -0.223 4.417 4.640 -0.000 0.000 0.228 310 D C -1.321 174.977 176.300 -0.003 0.000 1.147 310 D CA 0.894 54.820 54.000 -0.124 0.000 0.757 310 D CB -1.395 39.348 40.800 -0.096 0.000 1.091 310 D HN 0.350 nan 8.370 nan 0.000 0.429 311 Y N -0.642 119.691 120.300 0.056 0.000 2.341 311 Y HA 0.303 4.853 4.550 -0.000 0.000 0.337 311 Y C 2.052 178.017 175.900 0.108 0.000 1.014 311 Y CA -0.942 57.190 58.100 0.053 0.000 1.111 311 Y CB 1.233 39.736 38.460 0.071 0.000 1.194 311 Y HN 0.274 nan 8.280 nan 0.000 0.462 312 C N -0.572 118.841 119.300 0.188 0.000 2.468 312 C HA 0.412 4.872 4.460 -0.000 0.000 0.277 312 C C 1.695 176.747 174.990 0.103 0.000 1.400 312 C CA 0.726 59.830 59.018 0.144 0.000 1.770 312 C CB -0.959 26.796 27.740 0.025 0.000 1.905 312 C HN 1.203 nan 8.230 nan 0.000 0.519 313 G N -0.449 108.260 108.800 -0.152 0.000 2.255 313 G HA2 -0.112 3.847 3.960 -0.000 0.000 0.196 313 G HA3 -0.112 3.847 3.960 -0.000 0.000 0.196 313 G C 0.067 174.656 174.900 -0.518 0.000 0.998 313 G CA 0.173 44.905 45.100 -0.614 0.000 0.656 313 G HN 0.551 nan 8.290 nan 0.000 0.490 314 T N 2.399 116.738 114.554 -0.359 0.000 2.834 314 T HA 0.612 4.962 4.350 -0.000 0.000 0.298 314 T C 0.270 174.777 174.700 -0.322 0.000 0.966 314 T CA 0.673 62.547 62.100 -0.377 0.000 1.141 314 T CB 0.702 69.394 68.868 -0.294 0.000 0.905 314 T HN 0.295 nan 8.240 nan 0.000 0.535 315 M N 4.062 123.466 119.600 -0.327 0.000 2.267 315 M HA 0.482 4.962 4.480 -0.000 0.000 0.289 315 M C -1.020 175.282 176.300 0.004 0.000 1.043 315 M CA -0.561 54.657 55.300 -0.137 0.000 0.928 315 M CB 2.234 34.740 32.600 -0.157 0.000 1.613 315 M HN 0.395 nan 8.290 nan 0.000 0.450 316 I N 4.515 125.229 120.570 0.240 0.000 2.354 316 I HA 0.438 4.608 4.170 -0.000 0.000 0.286 316 I C -0.851 175.518 176.117 0.421 0.000 1.007 316 I CA -0.267 61.276 61.300 0.405 0.000 1.167 316 I CB 1.045 39.326 38.000 0.468 0.000 1.320 316 I HN 0.606 nan 8.210 nan 0.000 0.458 317 I N 5.664 126.439 120.570 0.341 0.000 2.405 317 I HA 0.247 4.417 4.170 -0.000 0.000 0.280 317 I C -0.060 176.220 176.117 0.270 0.000 1.027 317 I CA -0.514 60.963 61.300 0.295 0.000 1.161 317 I CB 0.755 38.880 38.000 0.208 0.000 1.300 317 I HN 0.468 nan 8.210 nan 0.000 0.463 318 D N 4.866 125.422 120.400 0.259 0.000 2.368 318 D HA 0.437 5.077 4.640 -0.000 0.000 0.240 318 D C 0.479 176.876 176.300 0.162 0.000 1.169 318 D CA 0.959 55.080 54.000 0.202 0.000 0.906 318 D CB 1.553 42.451 40.800 0.162 0.000 1.187 318 D HN 0.800 nan 8.370 nan 0.000 0.435 319 G N 1.164 110.044 108.800 0.132 0.000 2.650 319 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 319 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 319 G C 0.475 175.443 174.900 0.112 0.000 1.205 319 G CA 0.026 45.193 45.100 0.111 0.000 0.781 319 G HN 0.454 nan 8.290 nan 0.000 0.648 320 E N 0.213 120.474 120.200 0.101 0.000 2.107 320 E HA 0.006 4.356 4.350 -0.000 0.000 0.191 320 E C 2.131 178.791 176.600 0.100 0.000 0.982 320 E CA 2.297 58.766 56.400 0.116 0.000 0.809 320 E CB -0.028 29.735 29.700 0.104 0.000 0.756 320 E HN 0.637 nan 8.360 nan 0.000 0.459 321 E N 0.616 120.865 120.200 0.082 0.000 2.208 321 E HA 0.086 4.436 4.350 -0.000 0.000 0.193 321 E C 0.371 177.003 176.600 0.053 0.000 0.988 321 E CA 0.870 57.308 56.400 0.064 0.000 0.828 321 E CB -0.352 29.382 29.700 0.057 0.000 0.763 321 E HN 0.297 nan 8.360 nan 0.000 0.478 322 A N 2.691 125.552 122.820 0.068 0.000 2.451 322 A HA 0.185 4.505 4.320 -0.000 0.000 0.266 322 A C -1.365 176.244 177.584 0.040 0.000 1.119 322 A CA -1.140 50.930 52.037 0.054 0.000 0.786 322 A CB 0.175 19.228 19.000 0.088 0.000 1.061 322 A HN 0.000 nan 8.150 nan 0.000 0.503 323 P HA -0.008 nan 4.420 nan 0.000 0.226 323 P C 0.049 177.373 177.300 0.040 0.000 1.153 323 P CA 0.905 64.008 63.100 0.005 0.000 0.777 323 P CB 0.161 31.845 31.700 -0.027 0.000 0.794 324 V N -0.325 119.630 119.914 0.069 0.000 2.686 324 V HA 0.486 4.606 4.120 -0.000 0.000 0.306 324 V C 0.847 177.049 176.094 0.180 0.000 1.065 324 V CA -0.236 62.148 62.300 0.140 0.000 0.894 324 V CB 1.809 33.726 31.823 0.157 0.000 1.004 324 V HN -0.091 nan 8.190 nan 0.000 0.424 325 A N 4.109 127.071 122.820 0.236 0.000 2.115 325 A HA 0.342 4.662 4.320 -0.000 0.000 0.211 325 A C 0.093 177.895 177.584 0.364 0.000 1.169 325 A CA 0.626 52.825 52.037 0.270 0.000 0.787 325 A CB 0.237 19.390 19.000 0.254 0.000 0.858 325 A HN 0.777 nan 8.150 nan 0.000 0.474 326 Y N 0.409 120.834 120.300 0.208 0.000 2.433 326 Y HA 0.486 5.036 4.550 -0.000 0.000 0.337 326 Y C -0.407 175.560 175.900 0.111 0.000 1.026 326 Y CA -0.543 57.668 58.100 0.185 0.000 1.037 326 Y CB 1.694 40.312 38.460 0.263 0.000 1.245 326 Y HN 0.112 nan 8.280 nan 0.000 0.443 327 T N 4.488 118.770 114.554 -0.454 0.000 2.907 327 T HA 0.824 5.174 4.350 -0.000 0.000 0.292 327 T C -1.315 172.981 174.700 -0.673 0.000 1.043 327 T CA -0.799 61.019 62.100 -0.470 0.000 1.003 327 T CB 1.701 70.306 68.868 -0.439 0.000 1.084 327 T HN 0.601 nan 8.240 nan 0.000 0.483 328 L N 1.201 122.142 121.223 -0.469 0.000 2.333 328 L HA 0.542 4.882 4.340 -0.000 0.000 0.263 328 L C -0.539 176.149 176.870 -0.304 0.000 1.014 328 L CA -1.246 53.374 54.840 -0.366 0.000 0.820 328 L CB 2.145 44.064 42.059 -0.234 0.000 1.352 328 L HN 0.742 nan 8.230 nan 0.000 0.421 329 D N 0.506 120.771 120.400 -0.225 0.000 2.348 329 D HA 0.022 4.662 4.640 -0.000 0.000 0.253 329 D C -0.242 176.082 176.300 0.040 0.000 1.161 329 D CA 0.335 54.263 54.000 -0.120 0.000 0.876 329 D CB 1.295 42.122 40.800 0.045 0.000 1.160 329 D HN 0.426 nan 8.370 nan 0.000 0.459 330 D N 1.834 122.262 120.400 0.046 0.000 2.402 330 D HA 0.064 4.704 4.640 -0.000 0.000 0.216 330 D C -0.321 176.068 176.300 0.147 0.000 1.128 330 D CA -0.049 54.007 54.000 0.092 0.000 0.833 330 D CB 0.323 41.117 40.800 -0.010 0.000 0.971 330 D HN 0.287 nan 8.370 nan 0.000 0.503 331 T N 2.000 116.675 114.554 0.201 0.000 2.905 331 T HA -0.026 4.324 4.350 -0.000 0.000 0.299 331 T C 0.606 175.378 174.700 0.120 0.000 1.024 331 T CA 0.048 62.260 62.100 0.186 0.000 1.151 331 T CB 0.669 69.647 68.868 0.184 0.000 0.987 331 T HN -0.003 nan 8.240 nan 0.000 0.535 332 K N 4.577 125.007 120.400 0.050 0.000 2.397 332 K HA 0.021 4.341 4.320 -0.000 0.000 0.265 332 K C -1.403 175.088 176.600 -0.181 0.000 0.982 332 K CA -1.379 54.837 56.287 -0.118 0.000 0.931 332 K CB -0.041 32.402 32.500 -0.095 0.000 0.943 332 K HN 0.353 nan 8.250 nan 0.000 0.501 333 P HA -0.141 nan 4.420 nan 0.000 0.223 333 P C 0.385 177.619 177.300 -0.110 0.000 1.144 333 P CA 1.357 64.269 63.100 -0.314 0.000 0.783 333 P CB 0.305 31.723 31.700 -0.470 0.000 0.771 334 E N -0.743 119.413 120.200 -0.074 0.000 2.112 334 E HA 0.120 4.469 4.350 -0.000 0.000 0.190 334 E C 1.745 178.335 176.600 -0.015 0.000 0.979 334 E CA 1.460 57.846 56.400 -0.023 0.000 0.814 334 E CB -0.620 29.083 29.700 0.005 0.000 0.762 334 E HN 0.322 nan 8.360 nan 0.000 0.460 335 G N -0.524 108.271 108.800 -0.008 0.000 2.318 335 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.172 335 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.172 335 G C 0.088 174.984 174.900 -0.006 0.000 1.002 335 G CA -0.352 44.737 45.100 -0.017 0.000 0.697 335 G HN 0.073 nan 8.290 nan 0.000 0.483 336 N N 0.166 118.884 118.700 0.030 0.000 2.415 336 N HA 0.395 5.135 4.740 -0.000 0.000 0.248 336 N C 0.466 176.079 175.510 0.171 0.000 1.271 336 N CA 0.084 53.162 53.050 0.047 0.000 0.913 336 N CB -0.192 38.428 38.487 0.221 0.000 1.129 336 N HN 0.325 nan 8.380 nan 0.000 0.444 337 Y N -2.160 118.166 120.300 0.044 0.000 2.980 337 Y HA -0.263 4.287 4.550 -0.000 0.000 0.199 337 Y C 0.754 176.780 175.900 0.210 0.000 1.319 337 Y CA 0.221 58.395 58.100 0.124 0.000 0.877 337 Y CB -2.013 36.489 38.460 0.070 0.000 1.259 337 Y HN 0.485 nan 8.280 nan 0.000 0.437 338 A N 0.590 123.574 122.820 0.274 0.000 2.483 338 A HA 0.718 5.038 4.320 -0.000 0.000 0.238 338 A C 0.659 178.474 177.584 0.386 0.000 1.070 338 A CA 0.448 52.656 52.037 0.284 0.000 0.770 338 A CB 0.411 19.504 19.000 0.154 0.000 1.008 338 A HN 1.481 nan 8.150 nan 0.000 0.497 339 A N 1.515 124.554 122.820 0.366 0.000 2.601 339 A HA 0.645 4.965 4.320 -0.000 0.000 0.291 339 A C -1.173 176.395 177.584 -0.026 0.000 1.075 339 A CA -0.499 51.568 52.037 0.050 0.000 0.671 339 A CB 0.953 19.678 19.000 -0.459 0.000 1.277 339 A HN 0.709 nan 8.150 nan 0.000 0.417 340 I N 2.061 122.493 120.570 -0.231 0.000 2.418 340 I HA 0.366 4.536 4.170 -0.000 0.000 0.287 340 I C -0.298 175.641 176.117 -0.297 0.000 1.008 340 I CA -0.345 60.699 61.300 -0.427 0.000 1.104 340 I CB 1.670 39.236 38.000 -0.722 0.000 1.264 340 I HN 0.755 nan 8.210 nan 0.000 0.438 341 M N 5.296 124.736 119.600 -0.267 0.000 2.233 341 M HA 0.659 5.139 4.480 -0.000 0.000 0.355 341 M C -0.308 175.848 176.300 -0.240 0.000 1.191 341 M CA -0.098 55.079 55.300 -0.205 0.000 1.101 341 M CB 1.340 33.856 32.600 -0.141 0.000 1.592 341 M HN 0.731 nan 8.290 nan 0.000 0.461 342 G N 4.219 112.903 108.800 -0.193 0.000 2.733 342 G HA2 0.615 4.575 3.960 -0.000 0.000 0.297 342 G HA3 0.615 4.575 3.960 -0.000 0.000 0.297 342 G C -2.055 172.776 174.900 -0.115 0.000 1.422 342 G CA -0.585 44.442 45.100 -0.121 0.000 0.942 342 G HN 0.634 nan 8.290 nan 0.000 0.510 343 F N 0.625 120.716 119.950 0.235 0.000 2.421 343 F HA 0.550 5.077 4.527 -0.000 0.000 0.337 343 F C 0.635 176.535 175.800 0.166 0.000 1.105 343 F CA -0.738 57.397 58.000 0.225 0.000 1.049 343 F CB 2.138 41.299 39.000 0.268 0.000 1.139 343 F HN 0.059 nan 8.300 nan 0.000 0.479 344 I N 5.126 125.892 120.570 0.327 0.000 2.328 344 I HA 0.282 4.452 4.170 -0.000 0.000 0.287 344 I C -0.746 175.449 176.117 0.129 0.000 1.012 344 I CA -0.329 61.080 61.300 0.181 0.000 1.195 344 I CB 0.828 38.904 38.000 0.127 0.000 1.350 344 I HN 0.375 nan 8.210 nan 0.000 0.464 345 L N 6.073 127.336 121.223 0.066 0.000 2.334 345 L HA 0.738 5.078 4.340 -0.000 0.000 0.275 345 L C 1.058 177.878 176.870 -0.084 0.000 1.036 345 L CA -0.235 54.599 54.840 -0.011 0.000 0.807 345 L CB 1.447 43.503 42.059 -0.005 0.000 1.231 345 L HN 0.838 nan 8.230 nan 0.000 0.438 346 A N 1.738 124.499 122.820 -0.098 0.000 5.395 346 A HA -0.372 3.948 4.320 -0.000 0.000 0.332 346 A C 1.739 179.287 177.584 -0.060 0.000 1.754 346 A CA 1.716 53.699 52.037 -0.090 0.000 0.716 346 A CB -1.676 17.267 19.000 -0.094 0.000 1.411 346 A HN 1.117 nan 8.150 nan 0.000 0.398 347 H N 0.773 119.821 119.070 -0.036 0.000 2.457 347 H HA -0.062 4.494 4.556 -0.000 0.000 0.297 347 H C 1.724 177.060 175.328 0.013 0.000 1.092 347 H CA 1.882 57.927 56.048 -0.005 0.000 1.309 347 H CB -0.316 29.452 29.762 0.010 0.000 1.382 347 H HN 0.720 nan 8.280 nan 0.000 0.535 348 K N 0.634 120.676 120.400 -0.597 0.000 2.155 348 K HA 0.079 4.399 4.320 -0.000 0.000 0.203 348 K C 2.558 179.089 176.600 -0.116 0.000 1.052 348 K CA 0.811 56.875 56.287 -0.371 0.000 0.948 348 K CB 0.040 32.327 32.500 -0.355 0.000 0.728 348 K HN 0.333 nan 8.250 nan 0.000 0.448 349 A N 1.501 124.279 122.820 -0.070 0.000 2.019 349 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 349 A C 1.947 179.539 177.584 0.013 0.000 1.164 349 A CA 1.272 53.310 52.037 0.001 0.000 0.644 349 A CB -0.269 18.744 19.000 0.020 0.000 0.805 349 A HN 0.214 nan 8.150 nan 0.000 0.449 350 R N -0.631 119.875 120.500 0.010 0.000 2.119 350 R HA 0.032 4.372 4.340 -0.000 0.000 0.222 350 R C 2.264 178.583 176.300 0.032 0.000 1.088 350 R CA 1.199 57.318 56.100 0.030 0.000 0.984 350 R CB -0.177 30.150 30.300 0.046 0.000 0.884 350 R HN 0.494 nan 8.270 nan 0.000 0.447 351 K N 1.164 121.581 120.400 0.028 0.000 2.062 351 K HA -0.029 4.291 4.320 -0.000 0.000 0.205 351 K C 1.527 178.141 176.600 0.024 0.000 1.051 351 K CA 1.061 57.370 56.287 0.037 0.000 0.941 351 K CB 0.202 32.732 32.500 0.051 0.000 0.719 351 K HN 0.174 nan 8.250 nan 0.000 0.440 352 L N 0.158 121.390 121.223 0.015 0.000 2.592 352 L HA 0.158 4.498 4.340 -0.000 0.000 0.227 352 L C 2.083 178.968 176.870 0.026 0.000 1.127 352 L CA 0.133 54.983 54.840 0.017 0.000 0.884 352 L CB 0.053 42.120 42.059 0.013 0.000 1.065 352 L HN 0.109 nan 8.230 nan 0.000 0.457 353 A N 0.274 123.111 122.820 0.028 0.000 2.119 353 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 353 A C 2.349 179.948 177.584 0.025 0.000 1.153 353 A CA 0.706 52.761 52.037 0.031 0.000 0.692 353 A CB -0.274 18.744 19.000 0.030 0.000 0.799 353 A HN 0.291 nan 8.150 nan 0.000 0.458 354 R N -0.449 120.065 120.500 0.022 0.000 2.092 354 R HA 0.028 4.368 4.340 -0.000 0.000 0.231 354 R C 0.340 176.650 176.300 0.017 0.000 1.119 354 R CA 0.410 56.521 56.100 0.019 0.000 0.970 354 R CB -0.509 29.802 30.300 0.018 0.000 0.864 354 R HN 0.458 nan 8.270 nan 0.000 0.440 355 L N 0.629 121.863 121.223 0.017 0.000 2.468 355 L HA 0.057 4.397 4.340 -0.000 0.000 0.253 355 L C 0.994 177.876 176.870 0.020 0.000 1.237 355 L CA -0.215 54.634 54.840 0.014 0.000 0.823 355 L CB 0.125 42.190 42.059 0.009 0.000 1.124 355 L HN 0.144 nan 8.230 nan 0.000 0.504 356 T N -3.140 111.425 114.554 0.017 0.000 2.902 356 T HA 0.166 4.516 4.350 -0.000 0.000 0.280 356 T C 0.857 175.580 174.700 0.038 0.000 0.992 356 T CA -0.839 61.276 62.100 0.025 0.000 1.015 356 T CB 1.553 70.432 68.868 0.018 0.000 1.044 356 T HN 0.623 nan 8.240 nan 0.000 0.520 357 K N 0.433 120.871 120.400 0.064 0.000 2.097 357 K HA -0.289 4.031 4.320 -0.000 0.000 0.214 357 K C 1.913 178.548 176.600 0.059 0.000 1.052 357 K CA 2.324 58.684 56.287 0.120 0.000 0.932 357 K CB -0.224 32.356 32.500 0.134 0.000 0.716 357 K HN 0.705 nan 8.250 nan 0.000 0.455 358 E N 0.387 120.595 120.200 0.014 0.000 2.072 358 E HA -0.138 4.211 4.350 -0.000 0.000 0.191 358 E C 1.812 178.364 176.600 -0.079 0.000 0.985 358 E CA 1.384 57.758 56.400 -0.043 0.000 0.801 358 E CB 0.038 29.727 29.700 -0.017 0.000 0.750 358 E HN 0.399 nan 8.360 nan 0.000 0.452 359 E N 0.126 120.299 120.200 -0.045 0.000 2.150 359 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 359 E C 2.077 178.632 176.600 -0.074 0.000 0.985 359 E CA 0.586 56.956 56.400 -0.049 0.000 0.814 359 E CB 0.023 29.710 29.700 -0.023 0.000 0.752 359 E HN 0.118 nan 8.360 nan 0.000 0.466 360 R N 0.476 120.933 120.500 -0.072 0.000 2.062 360 R HA -0.040 4.300 4.340 -0.000 0.000 0.229 360 R C 2.530 178.698 176.300 -0.221 0.000 1.128 360 R CA 0.671 56.721 56.100 -0.083 0.000 0.960 360 R CB -0.401 29.910 30.300 0.018 0.000 0.855 360 R HN 0.204 nan 8.270 nan 0.000 0.432 361 L N 1.416 122.390 121.223 -0.416 0.000 2.021 361 L HA -0.297 4.043 4.340 -0.000 0.000 0.215 361 L C 2.475 179.138 176.870 -0.344 0.000 1.074 361 L CA 1.758 56.199 54.840 -0.664 0.000 0.760 361 L CB -0.281 41.326 42.059 -0.752 0.000 0.889 361 L HN 0.195 nan 8.230 nan 0.000 0.433 362 K N -0.352 119.917 120.400 -0.220 0.000 2.097 362 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 362 K C 2.134 178.653 176.600 -0.135 0.000 1.049 362 K CA 1.246 57.451 56.287 -0.137 0.000 0.933 362 K CB 0.095 32.541 32.500 -0.090 0.000 0.717 362 K HN 0.252 nan 8.250 nan 0.000 0.442 363 K N 0.406 120.718 120.400 -0.146 0.000 2.103 363 K HA -0.044 4.276 4.320 -0.000 0.000 0.204 363 K C 2.088 178.559 176.600 -0.216 0.000 1.052 363 K CA 0.765 56.970 56.287 -0.136 0.000 0.945 363 K CB 0.038 32.478 32.500 -0.100 0.000 0.722 363 K HN 0.223 nan 8.250 nan 0.000 0.443 364 L N 0.298 121.340 121.223 -0.301 0.000 2.072 364 L HA -0.191 4.149 4.340 -0.000 0.000 0.205 364 L C 2.624 179.085 176.870 -0.681 0.000 1.079 364 L CA 0.929 55.428 54.840 -0.567 0.000 0.752 364 L CB -0.595 41.163 42.059 -0.502 0.000 0.906 364 L HN 0.248 nan 8.230 nan 0.000 0.436 365 C N 0.150 119.268 119.300 -0.303 0.000 2.429 365 C HA -0.138 4.322 4.460 -0.000 0.000 0.277 365 C C 2.649 177.620 174.990 -0.032 0.000 1.262 365 C CA 0.607 59.593 59.018 -0.053 0.000 1.733 365 C CB -0.654 27.105 27.740 0.031 0.000 2.010 365 C HN 0.505 nan 8.230 nan 0.000 0.483 366 E N 0.294 120.446 120.200 -0.080 0.000 2.110 366 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 366 E C 1.971 178.540 176.600 -0.052 0.000 0.988 366 E CA 0.982 57.355 56.400 -0.045 0.000 0.804 366 E CB -0.241 29.430 29.700 -0.049 0.000 0.745 366 E HN 0.499 nan 8.360 nan 0.000 0.458 367 L N 0.314 121.460 121.223 -0.127 0.000 1.976 367 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 367 L C 2.011 178.874 176.870 -0.012 0.000 1.071 367 L CA 1.771 56.539 54.840 -0.120 0.000 0.746 367 L CB -0.698 41.242 42.059 -0.200 0.000 0.890 367 L HN 0.221 nan 8.230 nan 0.000 0.432 368 Y N -0.642 119.643 120.300 -0.024 0.000 2.193 368 Y HA -0.308 4.242 4.550 -0.000 0.000 0.285 368 Y C 2.501 178.415 175.900 0.024 0.000 1.166 368 Y CA 0.410 58.503 58.100 -0.011 0.000 1.181 368 Y CB -0.531 37.965 38.460 0.062 0.000 0.976 368 Y HN 0.421 nan 8.280 nan 0.000 0.520 369 A N 0.423 123.356 122.820 0.188 0.000 1.898 369 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 369 A C 2.146 179.775 177.584 0.075 0.000 1.181 369 A CA 1.854 53.963 52.037 0.119 0.000 0.620 369 A CB -0.580 18.462 19.000 0.070 0.000 0.819 369 A HN 0.400 nan 8.150 nan 0.000 0.442 370 K N -0.443 119.976 120.400 0.031 0.000 2.057 370 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 370 K C 1.740 178.324 176.600 -0.025 0.000 1.049 370 K CA 1.585 57.876 56.287 0.007 0.000 0.931 370 K CB -0.185 32.304 32.500 -0.018 0.000 0.714 370 K HN 0.226 nan 8.250 nan 0.000 0.440 371 V N 1.166 121.014 119.914 -0.111 0.000 2.488 371 V HA -0.152 3.968 4.120 -0.000 0.000 0.246 371 V C 2.021 178.078 176.094 -0.061 0.000 1.046 371 V CA 1.314 63.487 62.300 -0.211 0.000 1.053 371 V CB -0.182 31.468 31.823 -0.289 0.000 0.679 371 V HN 0.301 nan 8.190 nan 0.000 0.458 372 L N 0.405 121.644 121.223 0.027 0.000 2.509 372 L HA 0.290 4.630 4.340 -0.000 0.000 0.222 372 L C 1.576 178.610 176.870 0.274 0.000 1.123 372 L CA 0.711 55.639 54.840 0.147 0.000 0.856 372 L CB -0.638 41.585 42.059 0.273 0.000 0.985 372 L HN 0.523 nan 8.230 nan 0.000 0.456 373 G N 1.268 110.168 108.800 0.168 0.000 2.371 373 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.299 373 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.299 373 G C -0.138 174.844 174.900 0.136 0.000 1.014 373 G CA 0.568 45.754 45.100 0.143 0.000 1.097 373 G HN 0.405 nan 8.290 nan 0.000 0.512 374 S N -0.233 115.535 115.700 0.114 0.000 2.720 374 S HA 0.461 4.931 4.470 -0.000 0.000 0.278 374 S C 0.978 175.531 174.600 -0.078 0.000 1.172 374 S CA -0.601 57.612 58.200 0.022 0.000 1.019 374 S CB 1.908 65.133 63.200 0.042 0.000 1.049 374 S HN 0.242 nan 8.310 nan 0.000 0.483 375 L N 1.677 122.848 121.223 -0.086 0.000 2.151 375 L HA -0.252 4.088 4.340 -0.000 0.000 0.215 375 L C 2.365 179.120 176.870 -0.192 0.000 1.084 375 L CA 1.727 56.508 54.840 -0.098 0.000 0.764 375 L CB -0.286 41.726 42.059 -0.078 0.000 0.891 375 L HN 0.791 nan 8.230 nan 0.000 0.435 376 E N -0.630 119.330 120.200 -0.399 0.000 2.209 376 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 376 E C 2.081 178.322 176.600 -0.599 0.000 0.993 376 E CA 1.109 57.133 56.400 -0.626 0.000 0.819 376 E CB -0.103 28.894 29.700 -1.172 0.000 0.745 376 E HN 0.558 nan 8.360 nan 0.000 0.477 377 A N 0.371 122.897 122.820 -0.490 0.000 2.121 377 A HA -0.084 4.235 4.320 -0.000 0.000 0.218 377 A C 1.840 179.567 177.584 0.238 0.000 1.154 377 A CA 0.658 52.665 52.037 -0.050 0.000 0.679 377 A CB -0.301 18.833 19.000 0.224 0.000 0.795 377 A HN 0.187 nan 8.150 nan 0.000 0.458 378 L N -1.066 120.209 121.223 0.087 0.000 2.599 378 L HA 0.060 4.400 4.340 -0.000 0.000 0.230 378 L C 0.538 177.486 176.870 0.130 0.000 1.141 378 L CA 0.465 55.366 54.840 0.102 0.000 0.877 378 L CB -0.144 41.935 42.059 0.034 0.000 1.009 378 L HN 0.318 nan 8.230 nan 0.000 0.447 379 E N 0.984 121.303 120.200 0.198 0.000 3.170 379 E HA 0.189 4.539 4.350 -0.000 0.000 0.212 379 E C -2.245 174.545 176.600 0.317 0.000 1.143 379 E CA -1.786 54.729 56.400 0.192 0.000 1.139 379 E CB 0.784 30.550 29.700 0.109 0.000 1.346 379 E HN 0.067 nan 8.360 nan 0.000 0.432 380 P HA -0.021 nan 4.420 nan 0.000 0.275 380 P C 0.441 177.808 177.300 0.112 0.000 1.228 380 P CA -0.101 63.030 63.100 0.052 0.000 0.786 380 P CB 1.974 33.636 31.700 -0.063 0.000 0.927 381 V N 1.543 121.539 119.914 0.136 0.000 3.471 381 V HA 0.105 4.225 4.120 -0.000 0.000 0.258 381 V C 0.692 176.930 176.094 0.240 0.000 1.192 381 V CA 0.992 63.396 62.300 0.173 0.000 1.116 381 V CB -0.719 31.213 31.823 0.183 0.000 0.792 381 V HN 0.695 nan 8.190 nan 0.000 0.459 382 H N -1.683 117.470 119.070 0.139 0.000 2.969 382 H HA 0.287 4.843 4.556 -0.000 0.000 0.304 382 H C -2.360 173.188 175.328 0.367 0.000 1.400 382 H CA -0.462 55.688 56.048 0.171 0.000 1.182 382 H CB 1.653 31.431 29.762 0.026 0.000 1.865 382 H HN -0.007 nan 8.280 nan 0.000 0.512 383 Y N 1.748 121.680 120.300 -0.612 0.000 2.479 383 Y HA 0.365 4.915 4.550 -0.000 0.000 0.338 383 Y C -1.562 174.127 175.900 -0.351 0.000 1.055 383 Y CA -0.550 57.385 58.100 -0.275 0.000 1.023 383 Y CB 1.703 40.072 38.460 -0.152 0.000 1.287 383 Y HN 0.544 nan 8.280 nan 0.000 0.447 384 E N 4.196 124.044 120.200 -0.587 0.000 2.317 384 E HA 0.378 4.728 4.350 -0.000 0.000 0.270 384 E C -1.500 174.688 176.600 -0.688 0.000 0.885 384 E CA -0.768 55.329 56.400 -0.506 0.000 0.760 384 E CB 2.601 32.241 29.700 -0.100 0.000 1.227 384 E HN 0.771 nan 8.360 nan 0.000 0.434 385 E N 0.550 120.476 120.200 -0.457 0.000 2.390 385 E HA 0.672 5.022 4.350 -0.000 0.000 0.277 385 E C -1.233 175.312 176.600 -0.092 0.000 0.939 385 E CA -1.027 55.215 56.400 -0.263 0.000 0.769 385 E CB 2.491 32.036 29.700 -0.259 0.000 1.251 385 E HN 0.133 nan 8.360 nan 0.000 0.450 386 K N 1.422 121.822 120.400 0.000 0.000 2.443 386 K HA 0.340 4.660 4.320 -0.000 0.000 0.252 386 K C -1.560 175.014 176.600 -0.044 0.000 0.933 386 K CA -0.703 55.535 56.287 -0.083 0.000 0.792 386 K CB 1.600 33.989 32.500 -0.186 0.000 1.185 386 K HN 0.497 nan 8.250 nan 0.000 0.425 387 N N 4.346 122.973 118.700 -0.121 0.000 2.699 387 N HA 0.142 4.882 4.740 -0.000 0.000 0.232 387 N C -0.404 175.074 175.510 -0.053 0.000 1.027 387 N CA -0.544 52.503 53.050 -0.004 0.000 0.920 387 N CB 0.151 38.645 38.487 0.011 0.000 1.148 387 N HN 0.676 nan 8.380 nan 0.000 0.509 388 W N 1.778 123.128 121.300 0.083 0.000 2.468 388 W HA -0.064 4.596 4.660 0.000 0.000 0.262 388 W C 1.971 178.516 176.519 0.043 0.000 1.241 388 W CA 0.088 57.477 57.345 0.074 0.000 1.232 388 W CB -0.381 29.136 29.460 0.095 0.000 1.124 388 W HN 0.545 nan 8.180 nan 0.000 0.597 389 C N 0.554 119.966 119.300 0.187 0.000 2.409 389 C HA -0.179 4.281 4.460 -0.000 0.000 0.284 389 C C 2.227 177.251 174.990 0.057 0.000 1.354 389 C CA 1.550 60.632 59.018 0.107 0.000 1.787 389 C CB -1.560 26.224 27.740 0.073 0.000 1.900 389 C HN 0.495 nan 8.230 nan 0.000 0.520 390 E N 0.358 120.574 120.200 0.027 0.000 2.463 390 E HA 0.065 4.415 4.350 -0.000 0.000 0.193 390 E C -0.221 176.366 176.600 -0.021 0.000 1.041 390 E CA 0.088 56.483 56.400 -0.009 0.000 0.879 390 E CB -0.090 29.592 29.700 -0.029 0.000 0.997 390 E HN 0.480 nan 8.360 nan 0.000 0.478 391 E N 2.142 122.351 120.200 0.015 0.000 2.152 391 E HA 0.003 4.353 4.350 -0.000 0.000 0.285 391 E C 0.434 177.042 176.600 0.012 0.000 1.043 391 E CA -0.016 56.400 56.400 0.027 0.000 0.839 391 E CB 1.692 31.467 29.700 0.125 0.000 1.069 391 E HN 0.345 nan 8.360 nan 0.000 0.399 392 Q N 3.116 122.869 119.800 -0.077 0.000 2.079 392 Q HA -0.160 4.180 4.340 -0.000 0.000 0.200 392 Q C 0.309 176.108 176.000 -0.335 0.000 0.974 392 Q CA 1.449 57.094 55.803 -0.263 0.000 0.840 392 Q CB 0.087 28.552 28.738 -0.456 0.000 0.898 392 Q HN 0.578 nan 8.270 nan 0.000 0.430 393 Y N -0.366 119.965 120.300 0.051 0.000 2.596 393 Y HA 0.229 4.778 4.550 -0.000 0.000 0.316 393 Y C 1.214 177.175 175.900 0.101 0.000 1.156 393 Y CA -0.278 57.860 58.100 0.063 0.000 1.300 393 Y CB 0.632 39.120 38.460 0.047 0.000 1.130 393 Y HN 0.062 nan 8.280 nan 0.000 0.518 394 S N -1.833 113.982 115.700 0.191 0.000 3.171 394 S HA 0.324 4.794 4.470 -0.000 0.000 0.258 394 S C 1.773 176.456 174.600 0.138 0.000 1.083 394 S CA 0.518 58.842 58.200 0.208 0.000 0.801 394 S CB 0.489 63.895 63.200 0.343 0.000 0.831 394 S HN 0.534 nan 8.310 nan 0.000 0.462 395 G N 0.882 109.746 108.800 0.107 0.000 2.268 395 G HA2 0.031 3.991 3.960 -0.000 0.000 0.240 395 G HA3 0.031 3.991 3.960 -0.000 0.000 0.240 395 G C 0.523 175.470 174.900 0.079 0.000 1.010 395 G CA 0.195 45.329 45.100 0.056 0.000 0.618 395 G HN 1.389 nan 8.290 nan 0.000 0.516 396 G N -2.220 106.662 108.800 0.136 0.000 2.344 396 G HA2 0.547 4.507 3.960 -0.000 0.000 0.282 396 G HA3 0.547 4.507 3.960 -0.000 0.000 0.282 396 G C -1.254 173.725 174.900 0.130 0.000 1.281 396 G CA 0.426 45.611 45.100 0.141 0.000 0.877 396 G HN 1.477 nan 8.290 nan 0.000 0.494 397 C N -1.532 117.791 119.300 0.038 0.000 3.307 397 C HA 0.573 5.033 4.460 -0.000 0.000 0.333 397 C C 0.624 175.459 174.990 -0.259 0.000 1.291 397 C CA -0.685 58.284 59.018 -0.081 0.000 1.273 397 C CB 0.638 28.243 27.740 -0.225 0.000 1.580 397 C HN 0.727 nan 8.230 nan 0.000 0.481 398 Y N 0.741 120.979 120.300 -0.104 0.000 2.314 398 Y HA 0.232 4.782 4.550 -0.000 0.000 0.294 398 Y C 1.634 177.500 175.900 -0.058 0.000 1.119 398 Y CA 1.272 59.282 58.100 -0.150 0.000 1.179 398 Y CB -0.432 37.911 38.460 -0.195 0.000 1.025 398 Y HN 0.695 nan 8.280 nan 0.000 0.541 399 T N -1.936 112.702 114.554 0.140 0.000 2.618 399 T HA 0.421 4.771 4.350 -0.000 0.000 0.286 399 T C -0.654 174.155 174.700 0.181 0.000 1.027 399 T CA -0.626 61.595 62.100 0.201 0.000 1.063 399 T CB 1.209 70.276 68.868 0.332 0.000 1.440 399 T HN -0.125 nan 8.240 nan 0.000 0.505 400 T N 1.934 116.629 114.554 0.235 0.000 2.837 400 T HA 0.610 4.960 4.350 -0.000 0.000 0.285 400 T C -1.263 173.504 174.700 0.111 0.000 0.984 400 T CA -0.160 62.001 62.100 0.102 0.000 1.049 400 T CB 0.066 68.975 68.868 0.069 0.000 0.947 400 T HN 0.497 nan 8.240 nan 0.000 0.472 401 Y N 1.083 121.194 120.300 -0.315 0.000 2.524 401 Y HA 0.815 5.365 4.550 -0.000 0.000 0.344 401 Y C -1.650 173.753 175.900 -0.829 0.000 1.012 401 Y CA -2.082 55.493 58.100 -0.874 0.000 1.068 401 Y CB 0.857 38.906 38.460 -0.686 0.000 1.249 401 Y HN 0.398 nan 8.280 nan 0.000 0.468 402 F N 3.625 122.798 119.950 -1.295 0.000 2.426 402 F HA 0.591 5.118 4.527 -0.000 0.000 0.348 402 F C -2.321 173.320 175.800 -0.265 0.000 1.124 402 F CA -2.883 54.706 58.000 -0.685 0.000 1.008 402 F CB 1.570 40.234 39.000 -0.561 0.000 1.139 402 F HN 0.358 nan 8.300 nan 0.000 0.452 403 P HA 0.135 nan 4.420 nan 0.000 0.272 403 P C -2.551 174.819 177.300 0.117 0.000 1.240 403 P CA -1.228 61.914 63.100 0.070 0.000 0.791 403 P CB -0.176 31.511 31.700 -0.021 0.000 0.978 404 P HA -0.054 nan 4.420 nan 0.000 0.265 404 P C 0.968 178.346 177.300 0.130 0.000 1.187 404 P CA 1.255 64.442 63.100 0.145 0.000 0.766 404 P CB -0.070 31.701 31.700 0.119 0.000 0.820 405 G N 2.300 111.191 108.800 0.152 0.000 2.205 405 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.261 405 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.261 405 G C 0.741 175.742 174.900 0.169 0.000 0.980 405 G CA 0.107 45.290 45.100 0.137 0.000 0.632 405 G HN 0.468 nan 8.290 nan 0.000 0.533 406 I N -0.176 120.520 120.570 0.210 0.000 3.265 406 I HA 0.230 4.400 4.170 -0.000 0.000 0.282 406 I C 2.478 178.822 176.117 0.379 0.000 1.207 406 I CA 0.840 62.309 61.300 0.281 0.000 1.449 406 I CB -0.760 37.322 38.000 0.136 0.000 1.121 406 I HN 0.261 nan 8.210 nan 0.000 0.442 407 L N 1.426 122.860 121.223 0.351 0.000 2.027 407 L HA -0.176 4.164 4.340 -0.000 0.000 0.206 407 L C 2.624 179.584 176.870 0.150 0.000 1.074 407 L CA 2.580 57.546 54.840 0.210 0.000 0.745 407 L CB -1.009 41.089 42.059 0.065 0.000 0.898 407 L HN 0.374 nan 8.230 nan 0.000 0.433 408 T N -3.813 110.831 114.554 0.149 0.000 2.821 408 T HA -0.161 4.188 4.350 -0.000 0.000 0.267 408 T C 1.811 176.472 174.700 -0.064 0.000 1.046 408 T CA 1.101 63.257 62.100 0.092 0.000 1.139 408 T CB -0.353 68.573 68.868 0.098 0.000 0.871 408 T HN 0.368 nan 8.240 nan 0.000 0.454 409 Q N 0.034 119.804 119.800 -0.051 0.000 2.123 409 Q HA 0.108 4.448 4.340 -0.000 0.000 0.196 409 Q C 1.227 176.937 176.000 -0.484 0.000 0.958 409 Q CA 1.225 56.872 55.803 -0.260 0.000 0.841 409 Q CB -0.077 28.519 28.738 -0.237 0.000 0.915 409 Q HN 0.752 nan 8.270 nan 0.000 0.455 410 Y N -0.916 119.317 120.300 -0.112 0.000 2.500 410 Y HA 0.256 4.806 4.550 -0.000 0.000 0.246 410 Y C 1.941 177.732 175.900 -0.181 0.000 1.146 410 Y CA 0.011 58.030 58.100 -0.135 0.000 1.230 410 Y CB 0.254 38.666 38.460 -0.081 0.000 1.214 410 Y HN 0.097 nan 8.280 nan 0.000 0.526 411 G N 1.814 110.514 108.800 -0.166 0.000 2.586 411 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 411 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 411 G C 1.710 176.194 174.900 -0.693 0.000 1.216 411 G CA 1.144 46.013 45.100 -0.385 0.000 0.786 411 G HN 0.342 nan 8.290 nan 0.000 0.583 412 R N 0.831 120.652 120.500 -1.130 0.000 2.339 412 R HA 0.113 4.452 4.340 -0.000 0.000 0.199 412 R C 1.697 177.827 176.300 -0.284 0.000 1.018 412 R CA 0.622 56.260 56.100 -0.770 0.000 1.036 412 R CB -0.682 29.193 30.300 -0.708 0.000 0.899 412 R HN 0.350 nan 8.270 nan 0.000 0.473 413 V N 1.131 120.906 119.914 -0.230 0.000 2.788 413 V HA -0.079 4.041 4.120 -0.000 0.000 0.251 413 V C 2.391 178.396 176.094 -0.149 0.000 1.068 413 V CA 0.754 62.965 62.300 -0.149 0.000 1.090 413 V CB -0.350 31.411 31.823 -0.104 0.000 0.710 413 V HN 0.183 nan 8.190 nan 0.000 0.467 414 L N 0.702 121.874 121.223 -0.085 0.000 2.046 414 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 414 L C 2.398 179.212 176.870 -0.093 0.000 1.077 414 L CA 1.987 56.781 54.840 -0.077 0.000 0.747 414 L CB -0.263 41.854 42.059 0.096 0.000 0.896 414 L HN 0.425 nan 8.230 nan 0.000 0.432 415 R N -0.469 120.073 120.500 0.071 0.000 2.577 415 R HA 0.146 4.486 4.340 -0.000 0.000 0.344 415 R C 0.376 176.809 176.300 0.221 0.000 1.037 415 R CA -0.241 55.982 56.100 0.205 0.000 1.102 415 R CB 0.043 30.516 30.300 0.289 0.000 1.313 415 R HN 0.196 nan 8.270 nan 0.000 0.561 416 Q N 2.653 122.523 119.800 0.116 0.000 2.296 416 Q HA 0.232 4.572 4.340 -0.000 0.000 0.263 416 Q C -2.122 173.981 176.000 0.172 0.000 1.026 416 Q CA -2.207 53.658 55.803 0.104 0.000 0.912 416 Q CB 1.056 29.804 28.738 0.017 0.000 1.198 416 Q HN 0.091 nan 8.270 nan 0.000 0.407 417 P HA -0.086 nan 4.420 nan 0.000 0.265 417 P C -1.196 176.079 177.300 -0.042 0.000 1.187 417 P CA 0.101 63.109 63.100 -0.155 0.000 0.766 417 P CB 0.579 31.959 31.700 -0.534 0.000 0.820 418 V N 3.716 123.612 119.914 -0.029 0.000 2.239 418 V HA 0.140 4.260 4.120 -0.000 0.000 0.267 418 V C 0.687 176.738 176.094 -0.070 0.000 1.056 418 V CA 0.239 62.533 62.300 -0.009 0.000 0.830 418 V CB -0.046 31.819 31.823 0.069 0.000 1.090 418 V HN 0.791 nan 8.190 nan 0.000 0.459 419 D N 3.712 124.071 120.400 -0.068 0.000 4.566 419 D HA -0.288 4.352 4.640 -0.000 0.000 0.168 419 D C 1.402 177.694 176.300 -0.013 0.000 0.658 419 D CA 2.326 56.310 54.000 -0.027 0.000 1.285 419 D CB -0.318 40.481 40.800 -0.002 0.000 0.770 419 D HN 0.528 nan 8.370 nan 0.000 0.517 420 R N 0.031 120.550 120.500 0.033 0.000 2.397 420 R HA 0.438 4.778 4.340 -0.000 0.000 0.241 420 R C -0.023 176.405 176.300 0.214 0.000 0.914 420 R CA -0.110 56.106 56.100 0.194 0.000 1.071 420 R CB 0.476 30.814 30.300 0.065 0.000 1.116 420 R HN 0.309 nan 8.270 nan 0.000 0.524 421 I N 1.516 122.061 120.570 -0.042 0.000 2.371 421 I HA 0.164 4.333 4.170 -0.000 0.000 0.290 421 I C -0.554 175.256 176.117 -0.511 0.000 1.028 421 I CA -0.382 60.803 61.300 -0.190 0.000 1.345 421 I CB 0.490 38.330 38.000 -0.267 0.000 1.407 421 I HN -0.074 nan 8.210 nan 0.000 0.501 422 Y N 5.397 125.458 120.300 -0.399 0.000 2.509 422 Y HA 0.524 5.074 4.550 -0.000 0.000 0.341 422 Y C -0.507 175.103 175.900 -0.483 0.000 1.038 422 Y CA -0.803 57.098 58.100 -0.333 0.000 1.089 422 Y CB 1.626 40.013 38.460 -0.122 0.000 1.241 422 Y HN 0.285 nan 8.280 nan 0.000 0.468 423 F N 1.405 121.466 119.950 0.185 0.000 2.427 423 F HA 0.704 5.231 4.527 -0.000 0.000 0.348 423 F C 0.416 176.294 175.800 0.130 0.000 1.125 423 F CA -0.552 57.529 58.000 0.134 0.000 0.989 423 F CB 1.089 40.150 39.000 0.101 0.000 1.165 423 F HN 0.621 nan 8.300 nan 0.000 0.442 424 A N 2.457 125.439 122.820 0.269 0.000 3.444 424 A HA 0.955 5.275 4.320 -0.000 0.000 0.189 424 A C 0.428 178.147 177.584 0.224 0.000 1.542 424 A CA -0.345 51.812 52.037 0.200 0.000 0.867 424 A CB -0.106 18.968 19.000 0.124 0.000 1.712 424 A HN 1.427 nan 8.150 nan 0.000 0.556 425 G N -2.620 106.290 108.800 0.184 0.000 2.705 425 G HA2 0.089 4.049 3.960 -0.000 0.000 0.686 425 G HA3 0.089 4.049 3.960 -0.000 0.000 0.686 425 G C 0.465 175.494 174.900 0.216 0.000 1.285 425 G CA 0.675 45.889 45.100 0.190 0.000 0.800 425 G HN 1.656 nan 8.290 nan 0.000 0.611 426 T N -0.326 114.358 114.554 0.218 0.000 2.915 426 T HA -0.069 4.281 4.350 -0.000 0.000 0.269 426 T C 2.077 176.971 174.700 0.324 0.000 1.071 426 T CA 2.212 64.465 62.100 0.256 0.000 1.132 426 T CB -0.300 68.716 68.868 0.245 0.000 0.878 426 T HN 0.668 nan 8.240 nan 0.000 0.479 427 E N 0.882 121.279 120.200 0.329 0.000 2.409 427 E HA -0.071 4.279 4.350 -0.000 0.000 0.198 427 E C 1.859 178.708 176.600 0.415 0.000 1.024 427 E CA 1.339 57.986 56.400 0.412 0.000 0.861 427 E CB -0.593 29.328 29.700 0.368 0.000 0.788 427 E HN 0.739 nan 8.360 nan 0.000 0.521 428 T N -2.074 112.689 114.554 0.349 0.000 3.086 428 T HA 0.495 4.845 4.350 -0.000 0.000 0.250 428 T C 0.886 175.814 174.700 0.379 0.000 1.074 428 T CA 0.045 62.354 62.100 0.348 0.000 0.988 428 T CB 0.313 69.360 68.868 0.299 0.000 0.988 428 T HN 0.189 nan 8.240 nan 0.000 0.530 429 A N 1.758 124.804 122.820 0.377 0.000 2.310 429 A HA 0.559 4.879 4.320 -0.000 0.000 0.260 429 A C 1.521 179.358 177.584 0.421 0.000 1.112 429 A CA 0.230 52.490 52.037 0.373 0.000 0.804 429 A CB 0.204 19.392 19.000 0.313 0.000 1.081 429 A HN 0.545 nan 8.150 nan 0.000 0.499 430 T N -3.496 111.278 114.554 0.367 0.000 2.986 430 T HA 0.257 4.607 4.350 -0.000 0.000 0.264 430 T C 0.206 175.001 174.700 0.159 0.000 0.964 430 T CA 0.457 62.731 62.100 0.289 0.000 0.895 430 T CB -0.300 68.695 68.868 0.211 0.000 1.163 430 T HN 0.725 nan 8.240 nan 0.000 0.517 431 H N -0.802 118.288 119.070 0.034 0.000 2.689 431 H HA 0.274 4.830 4.556 -0.000 0.000 0.346 431 H C -0.871 174.463 175.328 0.010 0.000 1.037 431 H CA -0.928 55.067 56.048 -0.088 0.000 1.234 431 H CB 1.084 30.857 29.762 0.017 0.000 1.572 431 H HN 0.321 nan 8.280 nan 0.000 0.524 432 W N 2.325 123.329 121.300 -0.494 0.000 6.170 432 W HA -0.244 4.416 4.660 -0.000 0.000 0.394 432 W C 0.517 176.975 176.519 -0.101 0.000 1.480 432 W CA 0.917 57.989 57.345 -0.455 0.000 1.027 432 W CB -1.515 27.637 29.460 -0.513 0.000 2.638 432 W HN 0.360 nan 8.180 nan 0.000 1.547 433 S N 0.503 116.223 115.700 0.033 0.000 2.549 433 S HA 0.422 4.892 4.470 -0.000 0.000 0.286 433 S C 1.357 176.163 174.600 0.344 0.000 1.314 433 S CA 1.484 59.820 58.200 0.227 0.000 1.062 433 S CB 0.951 64.331 63.200 0.299 0.000 0.865 433 S HN 1.362 nan 8.310 nan 0.000 0.498 434 G N 2.925 111.989 108.800 0.441 0.000 2.238 434 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 434 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 434 G C -0.242 174.771 174.900 0.189 0.000 0.996 434 G CA 0.162 45.523 45.100 0.436 0.000 0.632 434 G HN 0.684 nan 8.290 nan 0.000 0.503 435 Y N -0.505 119.912 120.300 0.196 0.000 2.650 435 Y HA 0.713 5.263 4.550 -0.000 0.000 0.331 435 Y C 1.957 177.911 175.900 0.090 0.000 1.082 435 Y CA -0.794 57.376 58.100 0.116 0.000 1.171 435 Y CB 0.819 39.335 38.460 0.094 0.000 1.326 435 Y HN -0.034 nan 8.280 nan 0.000 0.513 436 M N -0.214 119.515 119.600 0.214 0.000 2.149 436 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 436 M C 1.813 178.192 176.300 0.132 0.000 1.064 436 M CA 1.899 57.284 55.300 0.142 0.000 1.102 436 M CB -0.255 32.420 32.600 0.124 0.000 1.369 436 M HN 0.792 nan 8.290 nan 0.000 0.408 437 E N 0.876 121.138 120.200 0.103 0.000 2.033 437 E HA -0.174 4.176 4.350 -0.000 0.000 0.199 437 E C 1.978 178.676 176.600 0.163 0.000 1.011 437 E CA 2.253 58.697 56.400 0.074 0.000 0.815 437 E CB -0.801 28.855 29.700 -0.073 0.000 0.755 437 E HN 0.421 nan 8.360 nan 0.000 0.451 438 G N 0.189 109.129 108.800 0.234 0.000 2.505 438 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.220 438 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.220 438 G C 1.739 176.763 174.900 0.207 0.000 1.145 438 G CA 1.649 46.898 45.100 0.249 0.000 0.761 438 G HN 0.516 nan 8.290 nan 0.000 0.571 439 A N -0.180 122.750 122.820 0.184 0.000 1.972 439 A HA 0.102 4.422 4.320 -0.000 0.000 0.219 439 A C 2.607 180.263 177.584 0.120 0.000 1.169 439 A CA 1.892 54.020 52.037 0.151 0.000 0.635 439 A CB -0.427 18.651 19.000 0.130 0.000 0.810 439 A HN 0.299 nan 8.150 nan 0.000 0.446 440 V N -0.228 119.753 119.914 0.112 0.000 2.323 440 V HA -0.224 3.896 4.120 -0.000 0.000 0.244 440 V C 2.473 178.620 176.094 0.089 0.000 1.041 440 V CA 1.983 64.334 62.300 0.085 0.000 1.025 440 V CB -0.754 31.113 31.823 0.074 0.000 0.656 440 V HN 0.697 nan 8.190 nan 0.000 0.451 441 E N 0.448 120.722 120.200 0.124 0.000 2.065 441 E HA -0.320 4.030 4.350 -0.000 0.000 0.201 441 E C 2.225 178.878 176.600 0.089 0.000 1.016 441 E CA 1.984 58.464 56.400 0.133 0.000 0.818 441 E CB -0.179 29.648 29.700 0.212 0.000 0.749 441 E HN 0.548 nan 8.360 nan 0.000 0.453 442 A N 0.579 123.471 122.820 0.120 0.000 1.873 442 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 442 A C 2.462 180.075 177.584 0.049 0.000 1.186 442 A CA 1.730 53.828 52.037 0.100 0.000 0.616 442 A CB -1.141 17.959 19.000 0.167 0.000 0.823 442 A HN 0.450 nan 8.150 nan 0.000 0.442 443 G N -0.190 108.647 108.800 0.060 0.000 2.469 443 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 443 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 443 G C 1.427 176.324 174.900 -0.006 0.000 1.150 443 G CA 1.099 46.221 45.100 0.036 0.000 0.763 443 G HN 0.678 nan 8.290 nan 0.000 0.561 444 E N -0.281 119.910 120.200 -0.014 0.000 2.112 444 E HA -0.016 4.334 4.350 -0.000 0.000 0.190 444 E C 2.515 179.052 176.600 -0.106 0.000 0.979 444 E CA 0.108 56.482 56.400 -0.044 0.000 0.814 444 E CB -0.107 29.581 29.700 -0.021 0.000 0.762 444 E HN 0.316 nan 8.360 nan 0.000 0.460 445 R N 1.352 121.759 120.500 -0.156 0.000 2.073 445 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 445 R C 2.271 178.417 176.300 -0.257 0.000 1.134 445 R CA 1.380 57.287 56.100 -0.321 0.000 0.952 445 R CB -0.278 29.674 30.300 -0.580 0.000 0.850 445 R HN 0.130 nan 8.270 nan 0.000 0.433 446 A N 0.955 123.688 122.820 -0.146 0.000 1.908 446 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 446 A C 2.400 179.886 177.584 -0.162 0.000 1.181 446 A CA 1.965 53.950 52.037 -0.086 0.000 0.627 446 A CB -0.764 18.242 19.000 0.010 0.000 0.818 446 A HN 0.566 nan 8.150 nan 0.000 0.445 447 A N -0.381 122.358 122.820 -0.135 0.000 1.877 447 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 447 A C 2.238 179.705 177.584 -0.195 0.000 1.186 447 A CA 1.498 53.445 52.037 -0.150 0.000 0.620 447 A CB -0.483 18.462 19.000 -0.092 0.000 0.822 447 A HN 0.531 nan 8.150 nan 0.000 0.443 448 R N -0.497 119.898 120.500 -0.175 0.000 2.189 448 R HA -0.090 4.250 4.340 -0.000 0.000 0.223 448 R C 1.973 178.159 176.300 -0.189 0.000 1.092 448 R CA 1.188 57.190 56.100 -0.163 0.000 0.989 448 R CB -0.231 29.980 30.300 -0.148 0.000 0.876 448 R HN 0.685 nan 8.270 nan 0.000 0.457 449 E N 0.612 120.662 120.200 -0.250 0.000 2.077 449 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 449 E C 1.959 178.289 176.600 -0.449 0.000 0.989 449 E CA 1.003 57.250 56.400 -0.256 0.000 0.800 449 E CB -0.013 29.579 29.700 -0.180 0.000 0.746 449 E HN 0.305 nan 8.360 nan 0.000 0.452 450 I N 0.971 121.134 120.570 -0.679 0.000 2.252 450 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 450 I C 2.349 178.145 176.117 -0.534 0.000 1.102 450 I CA 0.729 61.511 61.300 -0.863 0.000 1.385 450 I CB -0.135 37.373 38.000 -0.820 0.000 1.064 450 I HN 0.141 nan 8.210 nan 0.000 0.414 451 L N 0.107 121.141 121.223 -0.315 0.000 2.013 451 L HA -0.322 4.018 4.340 -0.000 0.000 0.212 451 L C 2.751 179.543 176.870 -0.130 0.000 1.073 451 L CA 2.043 56.773 54.840 -0.183 0.000 0.753 451 L CB -0.967 41.024 42.059 -0.114 0.000 0.890 451 L HN 0.401 nan 8.230 nan 0.000 0.432 452 H N -0.226 118.736 119.070 -0.181 0.000 2.421 452 H HA -0.112 4.444 4.556 -0.000 0.000 0.298 452 H C 2.038 177.310 175.328 -0.093 0.000 1.087 452 H CA 1.449 57.432 56.048 -0.108 0.000 1.330 452 H CB 0.135 29.852 29.762 -0.075 0.000 1.388 452 H HN 0.307 nan 8.280 nan 0.000 0.526 453 A N 0.412 123.090 122.820 -0.236 0.000 1.969 453 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 453 A C 2.138 179.635 177.584 -0.146 0.000 1.169 453 A CA 1.405 53.324 52.037 -0.196 0.000 0.635 453 A CB -0.466 18.441 19.000 -0.154 0.000 0.810 453 A HN 0.545 nan 8.150 nan 0.000 0.445 454 M N -0.676 118.824 119.600 -0.166 0.000 2.628 454 M HA 0.169 4.649 4.480 -0.000 0.000 0.232 454 M C 1.166 177.418 176.300 -0.081 0.000 1.128 454 M CA 0.642 55.908 55.300 -0.056 0.000 1.040 454 M CB 0.009 32.585 32.600 -0.039 0.000 1.608 454 M HN 0.545 nan 8.290 nan 0.000 0.507 455 G N 1.636 110.340 108.800 -0.159 0.000 2.273 455 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.280 455 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.280 455 G C 0.714 175.570 174.900 -0.075 0.000 1.047 455 G CA 0.406 45.422 45.100 -0.141 0.000 0.869 455 G HN 0.522 nan 8.290 nan 0.000 0.502 456 K N -0.983 119.377 120.400 -0.066 0.000 2.334 456 K HA 0.345 4.665 4.320 -0.000 0.000 0.195 456 K C 1.120 177.714 176.600 -0.011 0.000 1.045 456 K CA 1.169 57.435 56.287 -0.035 0.000 1.004 456 K CB 0.469 32.944 32.500 -0.041 0.000 0.837 456 K HN 0.793 nan 8.250 nan 0.000 0.510 457 I N -2.067 118.511 120.570 0.012 0.000 2.913 457 I HA 0.418 4.588 4.170 -0.000 0.000 0.302 457 I C -2.992 173.212 176.117 0.145 0.000 1.246 457 I CA -2.880 58.451 61.300 0.052 0.000 1.010 457 I CB 2.167 40.188 38.000 0.035 0.000 1.259 457 I HN -0.237 nan 8.210 nan 0.000 0.434 458 P HA 0.074 nan 4.420 nan 0.000 0.272 458 P C 0.181 177.567 177.300 0.143 0.000 1.240 458 P CA -0.017 63.192 63.100 0.181 0.000 0.791 458 P CB 1.027 32.781 31.700 0.090 0.000 0.978 459 E N 0.676 120.881 120.200 0.009 0.000 2.077 459 E HA -0.292 4.058 4.350 -0.000 0.000 0.193 459 E C 1.298 177.851 176.600 -0.079 0.000 0.989 459 E CA 1.550 57.761 56.400 -0.314 0.000 0.800 459 E CB -0.501 29.036 29.700 -0.273 0.000 0.746 459 E HN 0.440 nan 8.360 nan 0.000 0.452 460 D N 0.455 120.854 120.400 -0.001 0.000 3.181 460 D HA -0.262 4.378 4.640 -0.000 0.000 0.190 460 D C 1.335 177.663 176.300 0.046 0.000 1.155 460 D CA 2.123 56.142 54.000 0.032 0.000 0.901 460 D CB -0.059 40.762 40.800 0.036 0.000 0.891 460 D HN 0.309 nan 8.370 nan 0.000 0.498 461 E N -1.628 118.590 120.200 0.029 0.000 2.501 461 E HA 0.200 4.550 4.350 -0.000 0.000 0.201 461 E C 1.615 178.218 176.600 0.005 0.000 1.016 461 E CA -0.277 56.141 56.400 0.029 0.000 0.920 461 E CB 0.344 30.059 29.700 0.025 0.000 1.023 461 E HN 0.429 nan 8.360 nan 0.000 0.474 462 I N -0.400 120.161 120.570 -0.014 0.000 2.193 462 I HA -0.111 4.059 4.170 -0.000 0.000 0.240 462 I C 0.373 176.372 176.117 -0.198 0.000 1.084 462 I CA 0.768 61.990 61.300 -0.130 0.000 1.365 462 I CB 0.052 37.938 38.000 -0.190 0.000 1.064 462 I HN 0.112 nan 8.210 nan 0.000 0.410 463 W N 2.243 123.539 121.300 -0.007 0.000 2.342 463 W HA 0.448 5.108 4.660 0.000 0.000 0.310 463 W C 0.145 176.665 176.519 0.002 0.000 1.128 463 W CA -0.218 57.131 57.345 0.007 0.000 1.322 463 W CB 0.361 29.826 29.460 0.008 0.000 1.251 463 W HN 0.009 nan 8.180 nan 0.000 0.439 464 Q N 2.139 122.045 119.800 0.176 0.000 2.274 464 Q HA 0.391 4.731 4.340 -0.000 0.000 0.260 464 Q C 0.416 176.486 176.000 0.117 0.000 0.974 464 Q CA -0.502 55.370 55.803 0.115 0.000 0.876 464 Q CB 1.551 30.324 28.738 0.058 0.000 1.297 464 Q HN 0.542 nan 8.270 nan 0.000 0.446 465 S N 1.758 117.505 115.700 0.079 0.000 2.624 465 S HA 0.385 4.855 4.470 -0.000 0.000 0.263 465 S C -0.353 174.274 174.600 0.044 0.000 1.287 465 S CA -0.670 57.560 58.200 0.051 0.000 0.990 465 S CB 1.407 64.620 63.200 0.022 0.000 0.950 465 S HN 0.612 nan 8.310 nan 0.000 0.561 466 E N 0.765 120.986 120.200 0.035 0.000 2.224 466 E HA 0.565 4.915 4.350 -0.000 0.000 0.265 466 E C -2.843 173.774 176.600 0.028 0.000 0.878 466 E CA -2.087 54.336 56.400 0.038 0.000 0.759 466 E CB 1.050 30.784 29.700 0.057 0.000 1.164 466 E HN 0.549 nan 8.360 nan 0.000 0.414 467 P HA 0.050 nan 4.420 nan 0.000 0.265 467 P C -0.697 176.617 177.300 0.022 0.000 1.193 467 P CA -0.096 63.016 63.100 0.019 0.000 0.765 467 P CB 0.515 32.225 31.700 0.017 0.000 0.823 468 E N 2.152 122.364 120.200 0.018 0.000 2.413 468 E HA 0.081 4.431 4.350 -0.000 0.000 0.263 468 E C -0.080 176.529 176.600 0.016 0.000 1.015 468 E CA -0.355 56.057 56.400 0.020 0.000 0.916 468 E CB 0.442 30.151 29.700 0.015 0.000 0.947 468 E HN 0.377 nan 8.360 nan 0.000 0.440 469 S N 2.686 118.395 115.700 0.015 0.000 2.562 469 S HA 0.024 4.494 4.470 -0.000 0.000 0.281 469 S C 0.868 175.473 174.600 0.008 0.000 1.333 469 S CA -0.622 57.585 58.200 0.012 0.000 1.052 469 S CB 1.151 64.355 63.200 0.006 0.000 0.884 469 S HN 0.477 nan 8.310 nan 0.000 0.506 470 V N 3.887 123.807 119.914 0.010 0.000 2.535 470 V HA -0.025 4.095 4.120 -0.000 0.000 0.246 470 V C 1.881 177.979 176.094 0.007 0.000 1.045 470 V CA 1.685 63.990 62.300 0.009 0.000 1.058 470 V CB -0.498 31.331 31.823 0.010 0.000 0.689 470 V HN 0.879 nan 8.190 nan 0.000 0.461 471 D N 0.381 120.786 120.400 0.009 0.000 2.269 471 D HA -0.037 4.603 4.640 -0.000 0.000 0.208 471 D C 0.667 176.966 176.300 -0.003 0.000 0.963 471 D CA 1.048 55.053 54.000 0.008 0.000 0.864 471 D CB 0.437 41.247 40.800 0.017 0.000 0.936 471 D HN 0.409 nan 8.370 nan 0.000 0.505 472 V N 3.025 122.933 119.914 -0.010 0.000 2.405 472 V HA 0.182 4.302 4.120 -0.000 0.000 0.253 472 V C -2.389 173.693 176.094 -0.020 0.000 0.963 472 V CA -1.339 60.946 62.300 -0.025 0.000 1.003 472 V CB 1.005 32.798 31.823 -0.051 0.000 1.251 472 V HN -0.053 nan 8.190 nan 0.000 0.520 473 P HA 0.246 nan 4.420 nan 0.000 0.269 473 P C -0.221 177.074 177.300 -0.007 0.000 1.209 473 P CA 0.207 63.304 63.100 -0.005 0.000 0.776 473 P CB 1.375 33.074 31.700 -0.002 0.000 0.876 474 A N 2.888 125.707 122.820 -0.000 0.000 2.316 474 A HA 0.223 4.543 4.320 -0.000 0.000 0.311 474 A C 0.378 177.962 177.584 0.001 0.000 1.339 474 A CA -0.375 51.664 52.037 0.002 0.000 0.960 474 A CB -0.301 18.710 19.000 0.019 0.000 1.152 474 A HN 0.436 nan 8.150 nan 0.000 0.547 475 Q N 3.010 122.808 119.800 -0.004 0.000 2.286 475 Q HA 0.223 4.563 4.340 -0.000 0.000 0.290 475 Q C -1.952 174.045 176.000 -0.004 0.000 1.049 475 Q CA -0.599 55.201 55.803 -0.005 0.000 0.923 475 Q CB 0.458 29.191 28.738 -0.008 0.000 1.183 475 Q HN 0.582 nan 8.270 nan 0.000 0.383 476 P HA 0.143 nan 4.420 nan 0.000 0.274 476 P C -0.676 176.617 177.300 -0.011 0.000 1.246 476 P CA -0.294 62.801 63.100 -0.008 0.000 0.795 476 P CB 0.832 32.528 31.700 -0.008 0.000 1.006 477 I N 1.536 122.095 120.570 -0.018 0.000 2.365 477 I HA 0.257 4.427 4.170 -0.000 0.000 0.291 477 I C 1.018 177.123 176.117 -0.020 0.000 1.004 477 I CA 0.012 61.300 61.300 -0.022 0.000 1.311 477 I CB 0.882 38.862 38.000 -0.034 0.000 1.401 477 I HN 0.444 nan 8.210 nan 0.000 0.491 478 T N 1.468 116.014 114.554 -0.014 0.000 2.916 478 T HA 0.779 5.129 4.350 -0.000 0.000 0.292 478 T C -0.180 174.511 174.700 -0.014 0.000 1.055 478 T CA -0.740 61.354 62.100 -0.011 0.000 1.009 478 T CB 2.148 71.016 68.868 0.001 0.000 1.118 478 T HN 0.645 nan 8.240 nan 0.000 0.497 479 T N -1.059 113.485 114.554 -0.017 0.000 2.876 479 T HA 0.574 4.924 4.350 -0.000 0.000 0.289 479 T C 0.010 174.712 174.700 0.003 0.000 1.014 479 T CA -0.779 61.304 62.100 -0.029 0.000 0.986 479 T CB 1.225 70.052 68.868 -0.068 0.000 1.021 479 T HN 0.668 nan 8.240 nan 0.000 0.458 480 T N 2.553 117.113 114.554 0.010 0.000 2.932 480 T HA 0.121 4.471 4.350 -0.000 0.000 0.312 480 T C 0.867 175.622 174.700 0.093 0.000 1.071 480 T CA -0.229 61.910 62.100 0.065 0.000 1.128 480 T CB 0.062 68.966 68.868 0.060 0.000 0.984 480 T HN 0.605 nan 8.240 nan 0.000 0.549 481 F N 2.141 122.108 119.950 0.028 0.000 2.091 481 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 481 F C 1.946 177.801 175.800 0.091 0.000 1.103 481 F CA 1.571 59.618 58.000 0.079 0.000 1.228 481 F CB -0.349 38.703 39.000 0.088 0.000 0.984 481 F HN 0.497 nan 8.300 nan 0.000 0.477 482 L N -0.006 121.315 121.223 0.162 0.000 2.046 482 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 482 L C 2.440 179.281 176.870 -0.049 0.000 1.077 482 L CA 1.637 56.518 54.840 0.069 0.000 0.747 482 L CB -0.655 41.498 42.059 0.157 0.000 0.896 482 L HN 0.193 nan 8.230 nan 0.000 0.432 483 E N -0.297 119.869 120.200 -0.056 0.000 2.085 483 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 483 E C 2.293 178.762 176.600 -0.219 0.000 0.994 483 E CA 1.150 57.472 56.400 -0.130 0.000 0.801 483 E CB -0.057 29.572 29.700 -0.119 0.000 0.743 483 E HN 0.348 nan 8.360 nan 0.000 0.453 484 R N -0.636 119.683 120.500 -0.302 0.000 2.189 484 R HA -0.067 4.273 4.340 -0.000 0.000 0.223 484 R C 1.435 177.304 176.300 -0.717 0.000 1.092 484 R CA 0.914 56.707 56.100 -0.511 0.000 0.989 484 R CB 0.183 30.106 30.300 -0.628 0.000 0.876 484 R HN 0.266 nan 8.270 nan 0.000 0.457 485 H N -1.562 117.303 119.070 -0.341 0.000 3.440 485 H HA 0.173 4.728 4.556 -0.000 0.000 0.259 485 H C -0.029 175.170 175.328 -0.214 0.000 1.120 485 H CA -0.238 55.606 56.048 -0.339 0.000 1.191 485 H CB 0.487 29.892 29.762 -0.595 0.000 1.537 485 H HN 0.003 nan 8.280 nan 0.000 0.547 486 L N 4.612 125.789 121.223 -0.077 0.000 2.525 486 L HA 0.034 4.374 4.340 -0.000 0.000 0.278 486 L C -1.585 175.245 176.870 -0.068 0.000 1.218 486 L CA -1.217 53.595 54.840 -0.046 0.000 0.878 486 L CB 0.137 42.175 42.059 -0.035 0.000 1.127 486 L HN -0.011 nan 8.230 nan 0.000 0.492 487 P HA 0.057 nan 4.420 nan 0.000 0.270 487 P C -0.529 176.707 177.300 -0.105 0.000 1.223 487 P CA -0.486 62.569 63.100 -0.074 0.000 0.785 487 P CB 0.671 32.331 31.700 -0.066 0.000 0.923 488 S N 0.327 115.950 115.700 -0.128 0.000 2.617 488 S HA 0.106 4.576 4.470 -0.000 0.000 0.259 488 S C 1.521 175.976 174.600 -0.242 0.000 1.301 488 S CA -0.700 57.400 58.200 -0.167 0.000 0.984 488 S CB -0.158 62.944 63.200 -0.164 0.000 0.954 488 S HN 0.231 nan 8.310 nan 0.000 0.572 489 V N 2.499 122.207 119.914 -0.343 0.000 2.261 489 V HA -0.071 4.049 4.120 -0.000 0.000 0.246 489 V C -0.425 175.264 176.094 -0.676 0.000 1.047 489 V CA 1.824 63.846 62.300 -0.464 0.000 1.015 489 V CB -1.820 29.722 31.823 -0.467 0.000 0.642 489 V HN 0.791 nan 8.190 nan 0.000 0.446 490 P HA -0.143 nan 4.420 nan 0.000 0.215 490 P C 1.791 178.885 177.300 -0.342 0.000 1.153 490 P CA 2.106 64.762 63.100 -0.740 0.000 0.853 490 P CB -0.360 31.014 31.700 -0.544 0.000 0.788 491 G N 0.315 108.962 108.800 -0.254 0.000 2.442 491 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 491 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 491 G C 1.581 176.404 174.900 -0.128 0.000 1.141 491 G CA 0.694 45.705 45.100 -0.148 0.000 0.763 491 G HN 0.274 nan 8.290 nan 0.000 0.554 492 L N 0.199 121.328 121.223 -0.155 0.000 2.072 492 L HA 0.195 4.535 4.340 -0.000 0.000 0.205 492 L C 2.683 179.489 176.870 -0.107 0.000 1.079 492 L CA 1.079 55.852 54.840 -0.112 0.000 0.752 492 L CB -0.249 41.746 42.059 -0.105 0.000 0.906 492 L HN 0.162 nan 8.230 nan 0.000 0.436 493 L N -0.717 120.412 121.223 -0.156 0.000 2.127 493 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 493 L C 2.786 179.612 176.870 -0.074 0.000 1.089 493 L CA 1.247 56.017 54.840 -0.116 0.000 0.757 493 L CB -0.553 41.408 42.059 -0.164 0.000 0.899 493 L HN 0.313 nan 8.230 nan 0.000 0.434 494 R N -0.525 119.926 120.500 -0.082 0.000 2.057 494 R HA -0.132 4.208 4.340 -0.000 0.000 0.229 494 R C 2.201 178.479 176.300 -0.036 0.000 1.136 494 R CA 0.948 57.019 56.100 -0.048 0.000 0.952 494 R CB -0.321 29.951 30.300 -0.047 0.000 0.848 494 R HN 0.144 nan 8.270 nan 0.000 0.430 495 L N 0.989 122.187 121.223 -0.042 0.000 2.129 495 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 495 L C 2.031 178.889 176.870 -0.020 0.000 1.087 495 L CA 1.633 56.456 54.840 -0.028 0.000 0.757 495 L CB -0.313 41.728 42.059 -0.030 0.000 0.896 495 L HN 0.220 nan 8.230 nan 0.000 0.434 496 I N -1.730 118.826 120.570 -0.023 0.000 2.584 496 I HA -0.100 4.070 4.170 -0.000 0.000 0.255 496 I C 2.255 178.367 176.117 -0.009 0.000 1.145 496 I CA 0.890 62.182 61.300 -0.014 0.000 1.462 496 I CB -0.531 37.460 38.000 -0.015 0.000 1.102 496 I HN 0.310 nan 8.210 nan 0.000 0.433 497 G N 0.698 109.491 108.800 -0.011 0.000 2.527 497 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 497 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 497 G C 1.542 176.440 174.900 -0.003 0.000 1.117 497 G CA 0.471 45.568 45.100 -0.004 0.000 0.759 497 G HN 0.286 nan 8.290 nan 0.000 0.556 498 L N -0.275 120.945 121.223 -0.006 0.000 2.416 498 L HA 0.219 4.559 4.340 -0.000 0.000 0.216 498 L C 2.655 179.524 176.870 -0.002 0.000 1.098 498 L CA 1.223 56.060 54.840 -0.004 0.000 0.840 498 L CB 0.254 42.309 42.059 -0.006 0.000 0.981 498 L HN 0.091 nan 8.230 nan 0.000 0.462 499 T N -2.233 112.319 114.554 -0.002 0.000 3.031 499 T HA -0.019 4.331 4.350 -0.000 0.000 0.254 499 T C 1.520 176.221 174.700 0.001 0.000 1.060 499 T CA 1.369 63.468 62.100 -0.000 0.000 1.135 499 T CB 0.038 68.906 68.868 -0.000 0.000 0.896 499 T HN 0.248 nan 8.240 nan 0.000 0.472 500 T N 1.287 115.842 114.554 0.002 0.000 3.067 500 T HA 0.394 4.744 4.350 -0.000 0.000 0.257 500 T C 0.915 175.617 174.700 0.004 0.000 1.105 500 T CA 0.512 62.614 62.100 0.003 0.000 1.104 500 T CB -0.425 68.445 68.868 0.005 0.000 0.925 500 T HN 0.490 nan 8.240 nan 0.000 0.498 501 I N 0.000 120.572 120.570 0.003 0.000 2.984 501 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 501 I CA 0.000 61.302 61.300 0.004 0.000 1.566 501 I CB 0.000 38.003 38.000 0.004 0.000 1.214 501 I HN 0.000 nan 8.210 nan 0.000 0.494