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 3lou_1_B DATA FIRST_RESID 8 DATA SEQUENCE HQFVLTLSCP SAAGQVAAVV GLLDRHRCYV DELTVFDDDL SARFFVRCVF DATA SEQUENCE HATXXXXXLR VDALRREFEP IAERFRXQWA IHDVAARPKV LIXVSKLEHC DATA SEQUENCE LADLLFRWKX GELKXDIVGI VSNHPDFAPL AAQHGLPFRH FPITADTKAQ DATA SEQUENCE QEAQWLDVFE TSGAELVILA RYXQVLSPEA SARLANRAIN IHHSFLPGFK DATA SEQUENCE GAKPYHQAHA RGVKLIGATA HFVTDDLDEG PIIEQVVERV DHSYRPEQLL DATA SEQUENCE AVGRDVECIT LARAVKAFIE RRVFLNGDRT VVFQ 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 8 H HA 0.000 nan 4.556 nan 0.000 0.296 8 H C 0.000 175.257 175.328 -0.119 0.000 0.993 8 H CA 0.000 55.985 56.048 -0.104 0.000 1.023 8 H CB 0.000 29.760 29.762 -0.004 0.000 1.292 9 Q N 3.000 122.740 119.800 -0.100 0.000 2.193 9 Q HA 0.520 4.861 4.340 0.001 0.000 0.246 9 Q C -0.995 174.694 176.000 -0.518 0.000 0.959 9 Q CA -0.729 55.001 55.803 -0.122 0.000 0.904 9 Q CB 2.041 30.739 28.738 -0.067 0.000 1.238 9 Q HN 0.308 nan 8.270 nan 0.000 0.469 10 F N -0.337 119.425 119.950 -0.314 0.000 2.599 10 F HA 0.568 5.095 4.527 0.001 0.000 0.311 10 F C -0.774 174.763 175.800 -0.438 0.000 1.076 10 F CA -1.029 56.724 58.000 -0.411 0.000 0.937 10 F CB 1.738 40.349 39.000 -0.648 0.000 1.282 10 F HN 0.214 nan 8.300 nan 0.000 0.460 11 V N 4.216 124.161 119.914 0.052 0.000 2.531 11 V HA 0.632 4.753 4.120 0.001 0.000 0.301 11 V C -1.680 174.586 176.094 0.286 0.000 1.034 11 V CA -0.716 61.683 62.300 0.164 0.000 0.865 11 V CB 1.671 33.581 31.823 0.144 0.000 0.995 11 V HN 0.636 nan 8.190 nan 0.000 0.424 12 L N 7.330 128.791 121.223 0.397 0.000 2.275 12 L HA 0.869 5.210 4.340 0.001 0.000 0.288 12 L C 0.161 177.212 176.870 0.302 0.000 1.046 12 L CA 0.675 55.713 54.840 0.329 0.000 0.805 12 L CB 1.660 43.906 42.059 0.312 0.000 1.193 12 L HN 0.911 nan 8.230 nan 0.000 0.426 13 T N 3.500 118.222 114.554 0.280 0.000 2.893 13 T HA 0.821 5.171 4.350 0.001 0.000 0.291 13 T C -0.762 174.182 174.700 0.406 0.000 1.028 13 T CA -0.754 61.572 62.100 0.375 0.000 0.995 13 T CB 1.645 70.645 68.868 0.219 0.000 1.051 13 T HN 0.836 nan 8.240 nan 0.000 0.470 14 L N -1.050 120.478 121.223 0.509 0.000 2.653 14 L HA 0.935 5.276 4.340 0.001 0.000 0.257 14 L C -0.759 176.285 176.870 0.291 0.000 0.969 14 L CA -0.883 54.209 54.840 0.419 0.000 0.869 14 L CB 1.801 44.098 42.059 0.397 0.000 1.439 14 L HN 0.990 nan 8.230 nan 0.000 0.414 15 S N 0.475 116.295 115.700 0.200 0.000 2.569 15 S HA 1.003 5.474 4.470 0.001 0.000 0.280 15 S C -0.382 174.199 174.600 -0.032 0.000 1.111 15 S CA -0.085 58.047 58.200 -0.115 0.000 0.887 15 S CB 1.408 64.486 63.200 -0.203 0.000 1.095 15 S HN 2.119 nan 8.310 nan 0.000 0.476 16 C N -1.517 117.709 119.300 -0.124 0.000 3.312 16 C HA 0.785 5.246 4.460 0.001 0.000 0.332 16 C C -3.320 171.650 174.990 -0.033 0.000 1.340 16 C CA -1.803 57.216 59.018 0.002 0.000 1.265 16 C CB 0.459 28.266 27.740 0.110 0.000 1.563 16 C HN 0.643 nan 8.230 nan 0.000 0.471 17 P HA 0.197 nan 4.420 nan 0.000 0.264 17 P C -0.051 177.256 177.300 0.012 0.000 1.193 17 P CA 0.750 63.857 63.100 0.011 0.000 0.763 17 P CB 0.466 32.186 31.700 0.033 0.000 0.810 18 S N 1.872 117.562 115.700 -0.016 0.000 2.537 18 S HA 0.425 4.896 4.470 0.001 0.000 0.286 18 S C 0.325 174.883 174.600 -0.071 0.000 1.299 18 S CA 0.238 58.395 58.200 -0.071 0.000 1.067 18 S CB -0.252 62.910 63.200 -0.062 0.000 0.864 18 S HN 0.628 nan 8.310 nan 0.000 0.494 19 A N 2.080 124.825 122.820 -0.125 0.000 2.605 19 A HA 0.765 5.086 4.320 0.001 0.000 0.294 19 A C -0.467 177.070 177.584 -0.078 0.000 1.062 19 A CA -0.573 51.447 52.037 -0.028 0.000 0.682 19 A CB 0.635 19.715 19.000 0.133 0.000 1.278 19 A HN 1.097 nan 8.150 nan 0.000 0.410 20 A N 0.000 122.806 122.820 -0.024 0.000 2.511 20 A HA 0.525 4.846 4.320 0.001 0.000 0.242 20 A C 1.554 179.156 177.584 0.031 0.000 1.069 20 A CA 1.155 53.166 52.037 -0.043 0.000 0.763 20 A CB -0.547 18.439 19.000 -0.024 0.000 1.001 20 A HN 2.873 nan 8.150 nan 0.000 0.498 21 G N 1.130 109.880 108.800 -0.083 0.000 2.176 21 G HA2 -0.316 3.645 3.960 0.001 0.000 0.232 21 G HA3 -0.316 3.645 3.960 0.001 0.000 0.232 21 G C 0.930 175.648 174.900 -0.303 0.000 0.986 21 G CA 0.807 45.877 45.100 -0.050 0.000 0.643 21 G HN 1.216 nan 8.290 nan 0.000 0.522 22 Q N 0.175 119.580 119.800 -0.659 0.000 2.050 22 Q HA -0.013 4.328 4.340 0.001 0.000 0.202 22 Q C 2.396 178.084 176.000 -0.519 0.000 0.980 22 Q CA 2.137 57.324 55.803 -1.026 0.000 0.840 22 Q CB -0.526 27.613 28.738 -0.998 0.000 0.898 22 Q HN 0.601 nan 8.270 nan 0.000 0.424 23 V N 1.918 121.614 119.914 -0.363 0.000 2.307 23 V HA -0.217 3.904 4.120 0.001 0.000 0.245 23 V C 2.656 178.677 176.094 -0.120 0.000 1.045 23 V CA 1.734 63.952 62.300 -0.137 0.000 1.024 23 V CB -1.109 30.670 31.823 -0.075 0.000 0.651 23 V HN 0.545 nan 8.190 nan 0.000 0.449 24 A N 0.138 122.876 122.820 -0.137 0.000 1.940 24 A HA -0.154 4.166 4.320 0.001 0.000 0.219 24 A C 2.403 179.930 177.584 -0.095 0.000 1.176 24 A CA 2.216 54.197 52.037 -0.094 0.000 0.631 24 A CB -0.726 18.229 19.000 -0.074 0.000 0.814 24 A HN 0.579 nan 8.150 nan 0.000 0.446 25 A N -0.786 121.951 122.820 -0.139 0.000 1.898 25 A HA 0.070 4.391 4.320 0.001 0.000 0.216 25 A C 2.236 179.736 177.584 -0.140 0.000 1.181 25 A CA 1.720 53.684 52.037 -0.121 0.000 0.620 25 A CB -0.747 18.181 19.000 -0.119 0.000 0.819 25 A HN 0.358 nan 8.150 nan 0.000 0.442 26 V N 0.192 120.023 119.914 -0.138 0.000 2.283 26 V HA -0.193 3.928 4.120 0.001 0.000 0.243 26 V C 2.746 178.817 176.094 -0.039 0.000 1.039 26 V CA 1.890 64.156 62.300 -0.056 0.000 1.016 26 V CB -0.800 31.038 31.823 0.025 0.000 0.650 26 V HN 0.568 nan 8.190 nan 0.000 0.449 27 V N -0.072 119.816 119.914 -0.045 0.000 2.515 27 V HA -0.035 4.086 4.120 0.001 0.000 0.250 27 V C 2.370 178.428 176.094 -0.059 0.000 1.058 27 V CA 2.160 64.429 62.300 -0.052 0.000 1.064 27 V CB -1.656 30.141 31.823 -0.043 0.000 0.675 27 V HN 0.424 nan 8.190 nan 0.000 0.461 28 G N 0.016 108.780 108.800 -0.060 0.000 2.422 28 G HA2 -0.197 3.764 3.960 0.001 0.000 0.218 28 G HA3 -0.197 3.764 3.960 0.001 0.000 0.218 28 G C 1.586 176.452 174.900 -0.056 0.000 1.146 28 G CA 1.137 46.202 45.100 -0.059 0.000 0.769 28 G HN 0.529 nan 8.290 nan 0.000 0.547 29 L N -0.240 120.956 121.223 -0.044 0.000 2.072 29 L HA 0.171 4.512 4.340 0.001 0.000 0.205 29 L C 2.836 179.729 176.870 0.038 0.000 1.079 29 L CA 0.576 55.423 54.840 0.012 0.000 0.752 29 L CB -0.136 41.931 42.059 0.013 0.000 0.906 29 L HN 0.181 nan 8.230 nan 0.000 0.436 30 L N -0.297 120.894 121.223 -0.053 0.000 2.042 30 L HA -0.282 4.058 4.340 0.001 0.000 0.210 30 L C 2.184 179.013 176.870 -0.069 0.000 1.076 30 L CA 1.388 56.151 54.840 -0.128 0.000 0.749 30 L CB -0.702 41.231 42.059 -0.209 0.000 0.893 30 L HN 0.310 nan 8.230 nan 0.000 0.432 31 D N -0.472 119.889 120.400 -0.065 0.000 2.117 31 D HA -0.196 4.445 4.640 0.001 0.000 0.197 31 D C 2.194 178.449 176.300 -0.075 0.000 0.987 31 D CA 1.004 54.969 54.000 -0.059 0.000 0.829 31 D CB -0.179 40.586 40.800 -0.058 0.000 0.961 31 D HN 0.196 nan 8.370 nan 0.000 0.460 32 R N 0.150 120.583 120.500 -0.111 0.000 2.105 32 R HA -0.139 4.202 4.340 0.001 0.000 0.239 32 R C 1.154 177.246 176.300 -0.347 0.000 1.135 32 R CA 1.276 57.237 56.100 -0.232 0.000 0.967 32 R CB -0.106 30.018 30.300 -0.293 0.000 0.861 32 R HN 0.322 nan 8.270 nan 0.000 0.442 33 H N 0.779 119.819 119.070 -0.050 0.000 2.519 33 H HA 0.185 4.742 4.556 0.001 0.000 0.289 33 H C -0.031 175.286 175.328 -0.019 0.000 1.040 33 H CA -0.061 55.965 56.048 -0.035 0.000 1.165 33 H CB 0.458 30.191 29.762 -0.048 0.000 1.462 33 H HN 0.102 nan 8.280 nan 0.000 0.555 34 R N -0.514 120.003 120.500 0.028 0.000 3.416 34 R HA -0.150 4.191 4.340 0.001 0.000 0.263 34 R C -0.545 175.792 176.300 0.061 0.000 1.053 34 R CA 0.155 56.276 56.100 0.035 0.000 0.705 34 R CB -3.295 27.030 30.300 0.042 0.000 1.124 34 R HN 0.248 nan 8.270 nan 0.000 0.444 35 C N 1.165 120.489 119.300 0.040 0.000 2.347 35 C HA 0.296 4.757 4.460 0.001 0.000 0.353 35 C C 0.915 175.924 174.990 0.032 0.000 1.273 35 C CA -0.905 58.154 59.018 0.070 0.000 1.861 35 C CB -0.173 27.560 27.740 -0.012 0.000 2.420 35 C HN 0.418 nan 8.230 nan 0.000 0.542 36 Y N 3.278 123.501 120.300 -0.128 0.000 2.359 36 Y HA 0.395 4.946 4.550 0.001 0.000 0.334 36 Y C 0.051 175.929 175.900 -0.037 0.000 1.058 36 Y CA -0.009 57.989 58.100 -0.171 0.000 1.244 36 Y CB 0.607 38.841 38.460 -0.377 0.000 1.187 36 Y HN 0.510 nan 8.280 nan 0.000 0.510 37 V N 8.074 127.648 119.914 -0.567 0.000 2.372 37 V HA 0.008 4.129 4.120 0.001 0.000 0.261 37 V C 0.499 176.448 176.094 -0.242 0.000 1.055 37 V CA -0.087 62.064 62.300 -0.248 0.000 0.930 37 V CB 0.636 32.339 31.823 -0.199 0.000 1.031 37 V HN 0.887 nan 8.190 nan 0.000 0.479 38 D N 3.457 123.979 120.400 0.203 0.000 2.162 38 D HA 0.022 4.663 4.640 0.001 0.000 0.203 38 D C 0.547 176.958 176.300 0.185 0.000 0.967 38 D CA 1.019 55.223 54.000 0.340 0.000 0.840 38 D CB 0.752 41.786 40.800 0.391 0.000 0.972 38 D HN 0.677 nan 8.370 nan 0.000 0.482 39 E N -0.342 119.947 120.200 0.150 0.000 2.356 39 E HA 0.571 4.922 4.350 0.001 0.000 0.275 39 E C -1.363 175.294 176.600 0.094 0.000 0.904 39 E CA -0.750 55.713 56.400 0.106 0.000 0.757 39 E CB 2.904 32.671 29.700 0.111 0.000 1.232 39 E HN -0.159 nan 8.360 nan 0.000 0.442 40 L N 0.935 122.186 121.223 0.046 0.000 2.482 40 L HA 0.607 4.948 4.340 0.001 0.000 0.263 40 L C -1.674 175.167 176.870 -0.050 0.000 0.957 40 L CA 0.085 54.941 54.840 0.026 0.000 0.836 40 L CB 2.574 44.639 42.059 0.010 0.000 1.324 40 L HN 0.611 nan 8.230 nan 0.000 0.406 41 T N 3.868 118.359 114.554 -0.106 0.000 3.172 41 T HA 0.676 5.027 4.350 0.001 0.000 0.320 41 T C -1.239 173.245 174.700 -0.359 0.000 1.085 41 T CA -0.427 61.457 62.100 -0.361 0.000 1.052 41 T CB 1.629 70.057 68.868 -0.734 0.000 1.107 41 T HN 0.697 nan 8.240 nan 0.000 0.458 42 V N 0.778 120.519 119.914 -0.288 0.000 2.876 42 V HA 0.987 5.108 4.120 0.001 0.000 0.312 42 V C -1.567 174.526 176.094 -0.001 0.000 1.085 42 V CA -1.113 61.093 62.300 -0.157 0.000 0.945 42 V CB 2.136 33.922 31.823 -0.062 0.000 1.017 42 V HN 0.798 nan 8.190 nan 0.000 0.428 43 F N 2.422 122.329 119.950 -0.071 0.000 2.574 43 F HA 0.758 5.285 4.527 0.001 0.000 0.313 43 F C -1.258 174.661 175.800 0.199 0.000 1.130 43 F CA -0.771 57.286 58.000 0.096 0.000 0.936 43 F CB 1.955 41.078 39.000 0.206 0.000 1.219 43 F HN 0.839 nan 8.300 nan 0.000 0.445 44 D N 4.027 124.110 120.400 -0.528 0.000 2.425 44 D HA 0.189 4.830 4.640 0.001 0.000 0.240 44 D C -1.573 174.255 176.300 -0.787 0.000 1.080 44 D CA -0.268 53.513 54.000 -0.364 0.000 0.836 44 D CB 0.920 41.719 40.800 -0.002 0.000 1.125 44 D HN 0.451 nan 8.370 nan 0.000 0.525 45 D N 3.224 123.293 120.400 -0.551 0.000 2.456 45 D HA 0.025 4.666 4.640 0.001 0.000 0.219 45 D C 0.757 177.018 176.300 -0.064 0.000 1.126 45 D CA -0.354 53.475 54.000 -0.284 0.000 0.890 45 D CB 0.840 41.687 40.800 0.077 0.000 1.025 45 D HN 0.562 nan 8.370 nan 0.000 0.511 46 D N 3.265 123.639 120.400 -0.044 0.000 2.310 46 D HA -0.164 4.477 4.640 0.001 0.000 0.212 46 D C 1.688 178.004 176.300 0.027 0.000 0.965 46 D CA 0.379 54.376 54.000 -0.005 0.000 0.879 46 D CB 0.256 41.057 40.800 0.002 0.000 0.921 46 D HN 0.420 nan 8.370 nan 0.000 0.510 47 L N 0.922 122.177 121.223 0.053 0.000 2.127 47 L HA -0.055 4.286 4.340 0.001 0.000 0.203 47 L C 2.610 179.522 176.870 0.071 0.000 1.080 47 L CA 1.194 56.072 54.840 0.064 0.000 0.768 47 L CB -0.280 41.827 42.059 0.080 0.000 0.924 47 L HN 0.077 nan 8.230 nan 0.000 0.444 48 S N -0.291 115.466 115.700 0.095 0.000 2.558 48 S HA 0.256 4.726 4.470 0.001 0.000 0.217 48 S C 1.214 175.857 174.600 0.072 0.000 0.975 48 S CA 0.211 58.472 58.200 0.101 0.000 0.912 48 S CB 0.284 63.580 63.200 0.160 0.000 0.776 48 S HN 0.349 nan 8.310 nan 0.000 0.526 49 A N 0.245 123.094 122.820 0.049 0.000 2.739 49 A HA -0.162 4.159 4.320 0.001 0.000 0.296 49 A C 0.240 177.829 177.584 0.007 0.000 1.488 49 A CA 1.022 53.070 52.037 0.019 0.000 0.746 49 A CB -2.040 16.970 19.000 0.016 0.000 1.047 49 A HN 0.627 nan 8.150 nan 0.000 0.477 50 R N -1.206 119.299 120.500 0.007 0.000 2.686 50 R HA 0.819 5.160 4.340 0.001 0.000 0.283 50 R C -1.024 175.180 176.300 -0.160 0.000 0.978 50 R CA -0.675 55.365 56.100 -0.100 0.000 0.897 50 R CB 0.853 31.114 30.300 -0.065 0.000 1.192 50 R HN 0.858 nan 8.270 nan 0.000 0.457 51 F N 4.393 124.039 119.950 -0.507 0.000 2.495 51 F HA 0.652 5.180 4.527 0.001 0.000 0.327 51 F C -1.652 173.776 175.800 -0.621 0.000 1.103 51 F CA -0.964 56.803 58.000 -0.389 0.000 0.949 51 F CB 1.004 39.864 39.000 -0.234 0.000 1.142 51 F HN 0.442 nan 8.300 nan 0.000 0.457 52 F N 4.647 124.143 119.950 -0.756 0.000 2.556 52 F HA 0.731 5.259 4.527 0.002 0.000 0.314 52 F C -0.974 174.420 175.800 -0.676 0.000 1.106 52 F CA -1.161 56.435 58.000 -0.674 0.000 0.911 52 F CB 2.074 40.661 39.000 -0.689 0.000 1.190 52 F HN 0.200 nan 8.300 nan 0.000 0.448 53 V N 2.799 122.597 119.914 -0.194 0.000 2.686 53 V HA 0.567 4.688 4.120 0.001 0.000 0.306 53 V C -0.841 175.499 176.094 0.410 0.000 1.065 53 V CA -0.951 61.378 62.300 0.048 0.000 0.894 53 V CB 2.273 34.107 31.823 0.019 0.000 1.004 53 V HN 0.757 nan 8.190 nan 0.000 0.424 54 R N 2.845 123.646 120.500 0.502 0.000 2.480 54 R HA 0.757 5.098 4.340 0.001 0.000 0.306 54 R C -1.508 174.974 176.300 0.303 0.000 0.958 54 R CA -0.234 56.175 56.100 0.515 0.000 0.861 54 R CB 1.543 32.260 30.300 0.694 0.000 1.171 54 R HN 0.799 nan 8.270 nan 0.000 0.445 55 C N 5.592 125.073 119.300 0.302 0.000 2.446 55 C HA 0.546 5.007 4.460 0.001 0.000 0.329 55 C C -0.938 174.286 174.990 0.391 0.000 1.166 55 C CA -0.396 58.796 59.018 0.289 0.000 1.341 55 C CB 0.984 28.873 27.740 0.247 0.000 1.970 55 C HN 0.631 nan 8.230 nan 0.000 0.452 56 V N 7.355 127.456 119.914 0.312 0.000 2.427 56 V HA 0.754 4.875 4.120 0.001 0.000 0.286 56 V C -0.109 176.203 176.094 0.363 0.000 1.034 56 V CA -0.036 62.420 62.300 0.259 0.000 0.893 56 V CB 0.921 32.844 31.823 0.166 0.000 0.982 56 V HN 0.821 nan 8.190 nan 0.000 0.452 57 F N 2.822 122.922 119.950 0.250 0.000 2.745 57 F HA 0.848 5.376 4.527 0.001 0.000 0.316 57 F C -0.795 175.249 175.800 0.406 0.000 1.155 57 F CA -0.916 57.238 58.000 0.257 0.000 0.937 57 F CB 1.709 40.791 39.000 0.138 0.000 1.361 57 F HN 0.680 nan 8.300 nan 0.000 0.472 58 H N 0.285 119.632 119.070 0.462 0.000 3.037 58 H HA 0.802 5.359 4.556 0.001 0.000 0.355 58 H C -1.759 173.812 175.328 0.406 0.000 1.263 58 H CA -1.022 55.252 56.048 0.378 0.000 1.129 58 H CB 1.194 31.113 29.762 0.262 0.000 1.861 58 H HN 1.135 nan 8.280 nan 0.000 0.546 59 A N 1.567 124.619 122.820 0.387 0.000 2.340 59 A HA 0.563 4.884 4.320 0.001 0.000 0.268 59 A C -0.054 177.662 177.584 0.219 0.000 1.100 59 A CA -0.047 52.137 52.037 0.245 0.000 0.803 59 A CB 0.421 19.538 19.000 0.195 0.000 1.043 59 A HN 0.736 nan 8.150 nan 0.000 0.488 67 R N 0.331 120.837 120.500 0.010 0.000 2.092 67 R HA 0.023 4.364 4.340 0.001 0.000 0.231 67 R C 2.053 178.293 176.300 -0.100 0.000 1.119 67 R CA 1.487 57.602 56.100 0.025 0.000 0.970 67 R CB -0.071 30.282 30.300 0.088 0.000 0.864 67 R HN 0.542 nan 8.270 nan 0.000 0.440 68 V N 1.552 121.370 119.914 -0.160 0.000 2.453 68 V HA -0.189 3.932 4.120 0.001 0.000 0.247 68 V C 1.493 177.441 176.094 -0.243 0.000 1.048 68 V CA 1.713 63.836 62.300 -0.296 0.000 1.049 68 V CB -0.385 31.014 31.823 -0.708 0.000 0.672 68 V HN 0.228 nan 8.190 nan 0.000 0.457 69 D N 0.817 121.119 120.400 -0.163 0.000 2.144 69 D HA -0.095 4.546 4.640 0.001 0.000 0.200 69 D C 2.225 178.472 176.300 -0.088 0.000 0.978 69 D CA 1.576 55.521 54.000 -0.091 0.000 0.833 69 D CB -0.197 40.578 40.800 -0.043 0.000 0.961 69 D HN 0.459 nan 8.370 nan 0.000 0.470 70 A N 0.969 123.715 122.820 -0.122 0.000 1.930 70 A HA -0.068 4.253 4.320 0.001 0.000 0.217 70 A C 2.248 179.637 177.584 -0.325 0.000 1.175 70 A CA 0.685 52.648 52.037 -0.123 0.000 0.627 70 A CB -0.729 18.271 19.000 0.001 0.000 0.815 70 A HN 0.267 nan 8.150 nan 0.000 0.443 71 L N -0.745 120.109 121.223 -0.615 0.000 2.046 71 L HA -0.164 4.177 4.340 0.001 0.000 0.208 71 L C 2.626 179.388 176.870 -0.180 0.000 1.077 71 L CA 2.003 56.462 54.840 -0.634 0.000 0.747 71 L CB -0.301 41.446 42.059 -0.521 0.000 0.896 71 L HN 0.451 nan 8.230 nan 0.000 0.432 72 R N -0.214 120.233 120.500 -0.089 0.000 2.073 72 R HA -0.243 4.098 4.340 0.001 0.000 0.234 72 R C 2.589 178.971 176.300 0.137 0.000 1.134 72 R CA 1.967 58.117 56.100 0.083 0.000 0.952 72 R CB -0.293 30.067 30.300 0.101 0.000 0.850 72 R HN 0.365 nan 8.270 nan 0.000 0.433 73 R N 0.626 121.165 120.500 0.066 0.000 2.081 73 R HA -0.132 4.209 4.340 0.001 0.000 0.235 73 R C 1.554 177.893 176.300 0.064 0.000 1.131 73 R CA 1.962 58.110 56.100 0.080 0.000 0.960 73 R CB -0.068 30.260 30.300 0.047 0.000 0.856 73 R HN 0.347 nan 8.270 nan 0.000 0.436 74 E N -0.641 119.577 120.200 0.030 0.000 2.427 74 E HA -0.147 4.204 4.350 0.001 0.000 0.196 74 E C 1.418 177.997 176.600 -0.035 0.000 1.028 74 E CA 0.426 56.839 56.400 0.022 0.000 0.864 74 E CB -0.019 29.733 29.700 0.087 0.000 0.813 74 E HN 0.337 nan 8.360 nan 0.000 0.514 75 F N 2.256 122.080 119.950 -0.210 0.000 2.325 75 F HA -0.124 4.404 4.527 0.001 0.000 0.299 75 F C 2.062 177.625 175.800 -0.396 0.000 1.090 75 F CA 0.913 58.669 58.000 -0.407 0.000 1.392 75 F CB 0.324 38.863 39.000 -0.767 0.000 1.053 75 F HN -0.085 nan 8.300 nan 0.000 0.521 76 E N 0.840 121.026 120.200 -0.024 0.000 2.049 76 E HA -0.209 4.142 4.350 0.001 0.000 0.198 76 E C -0.383 176.204 176.600 -0.022 0.000 1.007 76 E CA 1.731 58.180 56.400 0.081 0.000 0.809 76 E CB -2.227 27.572 29.700 0.165 0.000 0.749 76 E HN 0.370 nan 8.360 nan 0.000 0.450 77 P HA -0.044 nan 4.420 nan 0.000 0.219 77 P C 1.809 179.027 177.300 -0.138 0.000 1.150 77 P CA 0.967 64.020 63.100 -0.079 0.000 0.814 77 P CB -0.134 31.525 31.700 -0.069 0.000 0.787 78 I N 0.013 120.439 120.570 -0.239 0.000 2.252 78 I HA -0.207 3.964 4.170 0.001 0.000 0.245 78 I C 2.502 178.510 176.117 -0.182 0.000 1.102 78 I CA 1.401 62.552 61.300 -0.248 0.000 1.385 78 I CB -0.844 36.849 38.000 -0.512 0.000 1.064 78 I HN -0.093 nan 8.210 nan 0.000 0.414 79 A N 0.596 123.221 122.820 -0.325 0.000 1.933 79 A HA -0.196 4.125 4.320 0.001 0.000 0.218 79 A C 2.290 179.910 177.584 0.060 0.000 1.175 79 A CA 2.013 54.001 52.037 -0.082 0.000 0.628 79 A CB -0.644 18.355 19.000 -0.002 0.000 0.814 79 A HN 0.372 nan 8.150 nan 0.000 0.444 80 E N -0.839 119.371 120.200 0.017 0.000 2.072 80 E HA -0.157 4.194 4.350 0.001 0.000 0.191 80 E C 2.279 178.845 176.600 -0.057 0.000 0.985 80 E CA 1.070 57.477 56.400 0.013 0.000 0.801 80 E CB -0.546 29.156 29.700 0.002 0.000 0.750 80 E HN 0.750 nan 8.360 nan 0.000 0.452 81 R N -0.643 119.770 120.500 -0.145 0.000 2.083 81 R HA -0.113 4.228 4.340 0.001 0.000 0.237 81 R C 1.704 177.738 176.300 -0.443 0.000 1.137 81 R CA 1.970 57.862 56.100 -0.347 0.000 0.951 81 R CB -0.322 29.659 30.300 -0.531 0.000 0.851 81 R HN 0.370 nan 8.270 nan 0.000 0.434 82 F N 0.551 120.456 119.950 -0.074 0.000 2.727 82 F HA 0.319 4.847 4.527 0.001 0.000 0.302 82 F C 0.508 176.300 175.800 -0.012 0.000 1.097 82 F CA -0.114 57.853 58.000 -0.055 0.000 1.330 82 F CB 0.169 39.126 39.000 -0.073 0.000 1.084 82 F HN 0.014 nan 8.300 nan 0.000 0.578 86 W N 0.800 122.167 121.300 0.112 0.000 3.018 86 W HA 0.904 5.565 4.660 0.001 0.000 0.352 86 W C -1.973 174.525 176.519 -0.035 0.000 1.230 86 W CA -0.841 56.542 57.345 0.065 0.000 1.162 86 W CB 1.069 30.573 29.460 0.074 0.000 1.483 86 W HN 0.796 nan 8.180 nan 0.000 0.584 87 A N 1.395 124.214 122.820 -0.002 0.000 2.589 87 A HA 0.771 5.092 4.320 0.001 0.000 0.296 87 A C -2.083 175.431 177.584 -0.117 0.000 1.062 87 A CA -0.859 50.974 52.037 -0.340 0.000 0.686 87 A CB 1.517 20.305 19.000 -0.354 0.000 1.282 87 A HN 0.593 nan 8.150 nan 0.000 0.404 88 I N 2.177 122.613 120.570 -0.222 0.000 2.410 88 I HA 0.389 4.560 4.170 0.001 0.000 0.286 88 I C -0.833 175.192 176.117 -0.153 0.000 1.009 88 I CA -0.329 60.961 61.300 -0.017 0.000 1.111 88 I CB 1.773 39.871 38.000 0.163 0.000 1.262 88 I HN 0.760 nan 8.210 nan 0.000 0.443 89 H N 3.304 122.451 119.070 0.129 0.000 2.529 89 H HA 0.256 4.812 4.556 0.001 0.000 0.348 89 H C -0.576 174.819 175.328 0.112 0.000 1.152 89 H CA -0.720 55.384 56.048 0.094 0.000 1.202 89 H CB 1.559 31.330 29.762 0.014 0.000 1.562 89 H HN 0.406 nan 8.280 nan 0.000 0.515 90 D N 2.272 122.783 120.400 0.185 0.000 2.371 90 D HA -0.041 4.600 4.640 0.001 0.000 0.256 90 D C 0.975 177.192 176.300 -0.139 0.000 1.193 90 D CA 0.200 54.113 54.000 -0.144 0.000 0.881 90 D CB 1.174 41.934 40.800 -0.066 0.000 1.143 90 D HN 0.313 nan 8.370 nan 0.000 0.473 91 V N 4.450 124.218 119.914 -0.245 0.000 2.568 91 V HA -0.241 3.880 4.120 0.001 0.000 0.253 91 V C 2.294 178.292 176.094 -0.161 0.000 1.072 91 V CA 2.133 64.336 62.300 -0.162 0.000 1.084 91 V CB -0.599 31.125 31.823 -0.164 0.000 0.676 91 V HN 0.716 nan 8.190 nan 0.000 0.469 92 A N -0.294 122.391 122.820 -0.225 0.000 2.119 92 A HA 0.382 4.703 4.320 0.001 0.000 0.216 92 A C 1.485 179.001 177.584 -0.113 0.000 1.152 92 A CA 0.781 52.701 52.037 -0.195 0.000 0.708 92 A CB -0.347 18.476 19.000 -0.296 0.000 0.805 92 A HN 0.551 nan 8.150 nan 0.000 0.460 93 A N 0.276 123.049 122.820 -0.080 0.000 2.462 93 A HA 0.510 4.831 4.320 0.001 0.000 0.243 93 A C 0.267 177.839 177.584 -0.020 0.000 1.076 93 A CA -0.294 51.727 52.037 -0.026 0.000 0.773 93 A CB 0.044 19.054 19.000 0.016 0.000 1.010 93 A HN 0.497 nan 8.150 nan 0.000 0.493 94 R N 2.455 122.957 120.500 0.003 0.000 2.265 94 R HA 0.388 4.728 4.340 0.001 0.000 0.328 94 R C -2.735 173.584 176.300 0.032 0.000 0.969 94 R CA -1.625 54.488 56.100 0.021 0.000 0.832 94 R CB 0.972 31.301 30.300 0.048 0.000 1.139 94 R HN 0.465 nan 8.270 nan 0.000 0.457 95 P HA -0.061 nan 4.420 nan 0.000 0.266 95 P C -0.835 176.496 177.300 0.052 0.000 1.195 95 P CA 0.111 63.236 63.100 0.043 0.000 0.768 95 P CB 0.565 32.305 31.700 0.067 0.000 0.838 96 K N 1.736 122.165 120.400 0.048 0.000 2.297 96 K HA 0.384 4.704 4.320 0.001 0.000 0.286 96 K C -0.075 176.543 176.600 0.031 0.000 1.053 96 K CA -0.646 55.658 56.287 0.029 0.000 0.940 96 K CB 0.665 33.175 32.500 0.017 0.000 1.019 96 K HN 0.296 nan 8.250 nan 0.000 0.475 97 V N 1.148 121.057 119.914 -0.008 0.000 2.823 97 V HA 0.614 4.735 4.120 0.001 0.000 0.312 97 V C -1.199 174.869 176.094 -0.044 0.000 1.072 97 V CA -1.230 61.052 62.300 -0.030 0.000 0.937 97 V CB 1.695 33.465 31.823 -0.088 0.000 1.013 97 V HN 0.599 nan 8.190 nan 0.000 0.430 98 L N 4.243 125.455 121.223 -0.017 0.000 2.322 98 L HA 0.741 5.082 4.340 0.001 0.000 0.281 98 L C -0.442 176.345 176.870 -0.140 0.000 1.014 98 L CA -0.102 54.713 54.840 -0.041 0.000 0.815 98 L CB 1.193 43.305 42.059 0.088 0.000 1.247 98 L HN 0.777 nan 8.230 nan 0.000 0.421 102 S N 2.363 118.266 115.700 0.338 0.000 4.150 102 S HA 0.457 4.928 4.470 0.001 0.000 0.193 102 S C 0.580 175.363 174.600 0.304 0.000 1.010 102 S CA -0.076 58.323 58.200 0.333 0.000 1.650 102 S CB 0.493 63.799 63.200 0.176 0.000 0.823 102 S HN 0.789 nan 8.310 nan 0.000 0.794 103 K N 0.556 121.044 120.400 0.146 0.000 2.358 103 K HA 0.375 4.696 4.320 0.001 0.000 0.197 103 K C -0.666 176.088 176.600 0.258 0.000 1.025 103 K CA 0.100 56.390 56.287 0.006 0.000 1.104 103 K CB 0.094 32.447 32.500 -0.245 0.000 0.855 103 K HN 0.230 nan 8.250 nan 0.000 0.531 104 L N 1.425 122.839 121.223 0.319 0.000 2.265 104 L HA 0.221 4.562 4.340 0.001 0.000 0.289 104 L C 1.234 178.180 176.870 0.128 0.000 1.033 104 L CA -0.231 54.769 54.840 0.268 0.000 0.814 104 L CB 1.424 43.604 42.059 0.202 0.000 1.203 104 L HN 0.110 nan 8.230 nan 0.000 0.423 105 E N 1.952 122.190 120.200 0.064 0.000 2.299 105 E HA -0.159 4.192 4.350 0.001 0.000 0.193 105 E C 1.773 178.170 176.600 -0.338 0.000 0.998 105 E CA 0.478 56.587 56.400 -0.485 0.000 0.851 105 E CB 0.276 29.791 29.700 -0.308 0.000 0.795 105 E HN 0.767 nan 8.360 nan 0.000 0.492 106 H N -0.492 118.499 119.070 -0.132 0.000 2.319 106 H HA -0.134 4.423 4.556 0.002 0.000 0.299 106 H C 2.050 177.313 175.328 -0.108 0.000 1.092 106 H CA 1.512 57.499 56.048 -0.102 0.000 1.302 106 H CB -0.965 28.765 29.762 -0.053 0.000 1.373 106 H HN 0.245 nan 8.280 nan 0.000 0.497 107 C N 1.032 120.028 119.300 -0.508 0.000 2.446 107 C HA -0.079 4.382 4.460 0.001 0.000 0.277 107 C C 3.089 177.948 174.990 -0.218 0.000 1.275 107 C CA 0.658 59.508 59.018 -0.280 0.000 1.727 107 C CB -1.202 26.351 27.740 -0.313 0.000 2.010 107 C HN 0.521 nan 8.230 nan 0.000 0.486 108 L N 2.147 123.199 121.223 -0.285 0.000 1.989 108 L HA -0.085 4.256 4.340 0.001 0.000 0.211 108 L C 2.588 179.324 176.870 -0.223 0.000 1.071 108 L CA 2.588 57.269 54.840 -0.264 0.000 0.749 108 L CB -1.058 40.797 42.059 -0.341 0.000 0.890 108 L HN 0.271 nan 8.230 nan 0.000 0.431 109 A N -0.815 121.868 122.820 -0.228 0.000 1.908 109 A HA -0.319 4.002 4.320 0.001 0.000 0.218 109 A C 2.088 179.659 177.584 -0.022 0.000 1.181 109 A CA 2.075 54.038 52.037 -0.123 0.000 0.627 109 A CB -1.189 17.748 19.000 -0.106 0.000 0.818 109 A HN 0.670 nan 8.150 nan 0.000 0.445 110 D N -0.448 119.935 120.400 -0.029 0.000 2.097 110 D HA -0.126 4.515 4.640 0.001 0.000 0.195 110 D C 1.867 178.214 176.300 0.080 0.000 0.989 110 D CA 1.360 55.380 54.000 0.034 0.000 0.827 110 D CB -0.164 40.643 40.800 0.011 0.000 0.966 110 D HN 0.420 nan 8.370 nan 0.000 0.456 111 L N 0.050 121.273 121.223 0.001 0.000 2.046 111 L HA -0.146 4.195 4.340 0.001 0.000 0.208 111 L C 2.573 179.474 176.870 0.051 0.000 1.077 111 L CA 0.679 55.521 54.840 0.003 0.000 0.747 111 L CB -0.439 41.570 42.059 -0.082 0.000 0.896 111 L HN 0.235 nan 8.230 nan 0.000 0.432 112 L N -1.411 119.801 121.223 -0.019 0.000 2.083 112 L HA -0.245 4.096 4.340 0.001 0.000 0.209 112 L C 2.556 179.562 176.870 0.226 0.000 1.083 112 L CA 1.252 56.084 54.840 -0.013 0.000 0.752 112 L CB -0.540 41.264 42.059 -0.426 0.000 0.899 112 L HN 0.191 nan 8.230 nan 0.000 0.433 113 F N 1.014 121.014 119.950 0.083 0.000 2.113 113 F HA -0.176 4.351 4.527 0.002 0.000 0.297 113 F C 2.732 178.590 175.800 0.096 0.000 1.103 113 F CA 1.433 59.502 58.000 0.114 0.000 1.248 113 F CB -0.166 38.874 39.000 0.067 0.000 0.999 113 F HN -0.157 nan 8.300 nan 0.000 0.475 114 R N -1.037 119.575 120.500 0.187 0.000 2.105 114 R HA -0.242 4.099 4.340 0.001 0.000 0.239 114 R C 2.077 178.395 176.300 0.030 0.000 1.135 114 R CA 1.861 58.003 56.100 0.070 0.000 0.967 114 R CB -1.062 29.316 30.300 0.130 0.000 0.861 114 R HN 0.577 nan 8.270 nan 0.000 0.442 115 W N 2.531 123.775 121.300 -0.093 0.000 2.381 115 W HA -0.077 4.583 4.660 0.001 0.000 0.301 115 W C 1.033 177.486 176.519 -0.109 0.000 1.205 115 W CA 0.885 58.176 57.345 -0.090 0.000 1.285 115 W CB -0.033 29.381 29.460 -0.077 0.000 1.133 115 W HN -0.177 nan 8.180 nan 0.000 0.521 119 E N -0.037 120.110 120.200 -0.088 0.000 2.112 119 E HA 0.169 4.520 4.350 0.001 0.000 0.190 119 E C 0.342 176.942 176.600 0.001 0.000 0.979 119 E CA 0.274 56.655 56.400 -0.032 0.000 0.814 119 E CB 0.039 29.735 29.700 -0.007 0.000 0.762 119 E HN 0.347 nan 8.360 nan 0.000 0.460 120 L N 2.586 123.828 121.223 0.032 0.000 2.277 120 L HA 0.343 4.684 4.340 0.001 0.000 0.284 120 L C -0.094 176.844 176.870 0.113 0.000 1.028 120 L CA -0.511 54.376 54.840 0.079 0.000 0.835 120 L CB 1.433 43.561 42.059 0.116 0.000 1.215 120 L HN -0.050 nan 8.230 nan 0.000 0.425 124 I N 4.268 124.724 120.570 -0.190 0.000 2.308 124 I HA 0.111 4.282 4.170 0.001 0.000 0.293 124 I C 2.019 178.035 176.117 -0.168 0.000 1.078 124 I CA -0.583 60.532 61.300 -0.308 0.000 1.292 124 I CB 1.426 39.032 38.000 -0.657 0.000 1.423 124 I HN 0.384 nan 8.210 nan 0.000 0.493 125 V N 3.418 123.276 119.914 -0.094 0.000 2.871 125 V HA 0.375 4.496 4.120 0.001 0.000 0.256 125 V C 0.814 176.881 176.094 -0.045 0.000 1.082 125 V CA 0.946 63.220 62.300 -0.043 0.000 1.105 125 V CB -0.695 31.118 31.823 -0.016 0.000 0.713 125 V HN 0.858 nan 8.190 nan 0.000 0.473 126 G N -0.773 107.981 108.800 -0.077 0.000 2.355 126 G HA2 0.524 4.484 3.960 0.001 0.000 0.296 126 G HA3 0.524 4.484 3.960 0.001 0.000 0.296 126 G C -1.696 173.144 174.900 -0.099 0.000 1.507 126 G CA -0.752 44.308 45.100 -0.067 0.000 0.823 126 G HN 0.208 nan 8.290 nan 0.000 0.569 127 I N 0.631 121.149 120.570 -0.086 0.000 2.406 127 I HA 0.549 4.719 4.170 0.001 0.000 0.290 127 I C -0.288 175.673 176.117 -0.260 0.000 0.999 127 I CA -1.080 60.162 61.300 -0.098 0.000 1.124 127 I CB 2.059 40.101 38.000 0.070 0.000 1.289 127 I HN 0.254 nan 8.210 nan 0.000 0.441 128 V N 4.613 124.351 119.914 -0.294 0.000 2.680 128 V HA 0.666 4.787 4.120 0.001 0.000 0.309 128 V C -0.308 175.580 176.094 -0.345 0.000 1.052 128 V CA -0.437 61.625 62.300 -0.396 0.000 0.908 128 V CB 2.040 33.730 31.823 -0.221 0.000 1.001 128 V HN 0.774 nan 8.190 nan 0.000 0.431 129 S N 1.665 117.172 115.700 -0.321 0.000 2.570 129 S HA 0.362 4.833 4.470 0.001 0.000 0.270 129 S C 0.331 175.025 174.600 0.157 0.000 1.149 129 S CA -0.484 57.716 58.200 0.000 0.000 0.837 129 S CB 1.729 65.016 63.200 0.145 0.000 1.124 129 S HN 0.888 nan 8.310 nan 0.000 0.465 130 N N 1.743 120.588 118.700 0.241 0.000 2.412 130 N HA 0.044 4.785 4.740 0.001 0.000 0.184 130 N C -0.096 175.376 175.510 -0.063 0.000 1.101 130 N CA 0.440 53.542 53.050 0.088 0.000 0.881 130 N CB -0.241 38.224 38.487 -0.036 0.000 0.969 130 N HN 0.577 nan 8.380 nan 0.000 0.459 131 H N -0.358 118.879 119.070 0.279 0.000 2.797 131 H HA 0.301 4.858 4.556 0.001 0.000 0.372 131 H C -1.817 173.395 175.328 -0.193 0.000 1.168 131 H CA -1.427 54.660 56.048 0.064 0.000 1.163 131 H CB 2.819 32.571 29.762 -0.018 0.000 1.778 131 H HN -0.071 nan 8.280 nan 0.000 0.551 132 P HA 0.000 nan 4.420 nan 0.000 0.251 132 P C 0.193 177.318 177.300 -0.292 0.000 1.223 132 P CA 0.401 63.271 63.100 -0.384 0.000 0.796 132 P CB 0.553 31.980 31.700 -0.455 0.000 1.068 133 D N 0.790 120.982 120.400 -0.346 0.000 2.157 133 D HA -0.186 4.455 4.640 0.001 0.000 0.191 133 D C 0.855 176.737 176.300 -0.696 0.000 1.004 133 D CA 1.456 55.091 54.000 -0.608 0.000 0.854 133 D CB -0.924 39.309 40.800 -0.945 0.000 0.936 133 D HN 0.263 nan 8.370 nan 0.000 0.446 134 F N -0.082 119.759 119.950 -0.182 0.000 2.660 134 F HA 0.493 5.020 4.527 0.001 0.000 0.297 134 F C 1.854 177.208 175.800 -0.743 0.000 1.132 134 F CA -0.680 57.158 58.000 -0.271 0.000 1.372 134 F CB -0.715 38.261 39.000 -0.039 0.000 1.003 134 F HN -0.109 nan 8.300 nan 0.000 0.524 135 A N 1.563 123.688 122.820 -1.158 0.000 1.917 135 A HA -0.141 4.180 4.320 0.001 0.000 0.219 135 A C 0.008 177.320 177.584 -0.453 0.000 1.182 135 A CA 1.704 52.978 52.037 -1.270 0.000 0.633 135 A CB -1.783 16.714 19.000 -0.838 0.000 0.819 135 A HN 0.207 nan 8.150 nan 0.000 0.448 136 P HA -0.091 nan 4.420 nan 0.000 0.217 136 P C 1.658 178.949 177.300 -0.014 0.000 1.151 136 P CA 0.814 63.855 63.100 -0.098 0.000 0.828 136 P CB -0.157 31.504 31.700 -0.065 0.000 0.788 137 L N 0.445 121.689 121.223 0.036 0.000 2.046 137 L HA -0.065 4.276 4.340 0.001 0.000 0.208 137 L C 2.447 179.419 176.870 0.170 0.000 1.077 137 L CA 2.120 57.037 54.840 0.128 0.000 0.747 137 L CB -1.558 40.573 42.059 0.120 0.000 0.896 137 L HN -0.096 nan 8.230 nan 0.000 0.432 138 A N -0.636 122.225 122.820 0.068 0.000 1.933 138 A HA -0.071 4.250 4.320 0.001 0.000 0.218 138 A C 2.422 180.076 177.584 0.117 0.000 1.175 138 A CA 1.740 53.838 52.037 0.103 0.000 0.628 138 A CB -1.069 18.015 19.000 0.141 0.000 0.814 138 A HN 0.586 nan 8.150 nan 0.000 0.444 139 A N -0.644 122.206 122.820 0.050 0.000 1.872 139 A HA -0.170 4.151 4.320 0.001 0.000 0.214 139 A C 2.036 179.653 177.584 0.054 0.000 1.187 139 A CA 1.504 53.566 52.037 0.043 0.000 0.614 139 A CB -0.635 18.363 19.000 -0.003 0.000 0.826 139 A HN 0.594 nan 8.150 nan 0.000 0.442 140 Q N -1.199 118.628 119.800 0.045 0.000 2.308 140 Q HA -0.229 4.112 4.340 0.001 0.000 0.209 140 Q C 0.906 176.823 176.000 -0.138 0.000 0.985 140 Q CA 1.780 57.560 55.803 -0.039 0.000 0.881 140 Q CB -0.231 28.477 28.738 -0.050 0.000 0.917 140 Q HN 0.895 nan 8.270 nan 0.000 0.443 141 H N -2.084 117.041 119.070 0.092 0.000 2.594 141 H HA 0.271 4.827 4.556 0.002 0.000 0.279 141 H C 0.751 176.185 175.328 0.177 0.000 1.042 141 H CA 0.356 56.507 56.048 0.171 0.000 1.177 141 H CB 1.014 30.911 29.762 0.225 0.000 1.524 141 H HN 0.298 nan 8.280 nan 0.000 0.537 142 G N 1.104 110.014 108.800 0.184 0.000 2.249 142 G HA2 -0.289 3.672 3.960 0.001 0.000 0.273 142 G HA3 -0.289 3.672 3.960 0.001 0.000 0.273 142 G C -0.202 174.782 174.900 0.140 0.000 1.036 142 G CA 0.195 45.381 45.100 0.144 0.000 0.824 142 G HN 0.303 nan 8.290 nan 0.000 0.504 143 L N 0.047 121.345 121.223 0.124 0.000 2.325 143 L HA 0.489 4.830 4.340 0.001 0.000 0.278 143 L C -1.901 175.016 176.870 0.079 0.000 1.023 143 L CA -2.517 52.360 54.840 0.061 0.000 0.811 143 L CB 1.813 43.854 42.059 -0.030 0.000 1.249 143 L HN -0.141 nan 8.230 nan 0.000 0.431 144 P HA 0.044 nan 4.420 nan 0.000 0.268 144 P C -1.194 176.176 177.300 0.116 0.000 1.204 144 P CA 0.200 63.343 63.100 0.073 0.000 0.768 144 P CB 0.261 31.979 31.700 0.031 0.000 0.842 145 F N 3.956 123.886 119.950 -0.032 0.000 2.493 145 F HA 0.489 5.017 4.527 0.001 0.000 0.329 145 F C -0.292 175.458 175.800 -0.084 0.000 1.126 145 F CA -0.816 57.158 58.000 -0.044 0.000 0.937 145 F CB 1.422 40.410 39.000 -0.020 0.000 1.146 145 F HN 0.074 nan 8.300 nan 0.000 0.442 146 R N 4.831 124.882 120.500 -0.748 0.000 2.437 146 R HA 0.222 4.563 4.340 0.001 0.000 0.310 146 R C -1.185 174.530 176.300 -0.975 0.000 0.955 146 R CA -0.622 55.038 56.100 -0.734 0.000 0.851 146 R CB 1.227 31.127 30.300 -0.667 0.000 1.161 146 R HN 0.826 nan 8.270 nan 0.000 0.446 147 H N 3.595 122.203 119.070 -0.771 0.000 2.556 147 H HA 0.345 4.902 4.556 0.001 0.000 0.310 147 H C -1.060 174.001 175.328 -0.445 0.000 1.057 147 H CA -0.520 55.252 56.048 -0.461 0.000 1.264 147 H CB 0.522 30.255 29.762 -0.049 0.000 1.404 147 H HN 0.296 nan 8.280 nan 0.000 0.462 148 F N 7.366 127.189 119.950 -0.212 0.000 2.451 148 F HA 0.264 4.791 4.527 0.001 0.000 0.367 148 F C -2.127 173.517 175.800 -0.259 0.000 1.100 148 F CA -2.679 55.188 58.000 -0.222 0.000 1.171 148 F CB 0.944 39.931 39.000 -0.021 0.000 1.405 148 F HN 0.478 nan 8.300 nan 0.000 0.482 149 P HA 0.203 nan 4.420 nan 0.000 0.270 149 P C -0.272 177.010 177.300 -0.030 0.000 1.223 149 P CA 0.091 63.088 63.100 -0.172 0.000 0.785 149 P CB 1.603 33.189 31.700 -0.190 0.000 0.923 150 I N 0.577 121.133 120.570 -0.022 0.000 2.509 150 I HA 0.373 4.544 4.170 0.001 0.000 0.293 150 I C 0.783 176.903 176.117 0.004 0.000 1.020 150 I CA -0.498 60.806 61.300 0.007 0.000 1.088 150 I CB 2.207 40.218 38.000 0.019 0.000 1.267 150 I HN 0.355 nan 8.210 nan 0.000 0.430 151 T N 1.188 115.747 114.554 0.009 0.000 2.910 151 T HA 0.608 4.959 4.350 0.001 0.000 0.287 151 T C 0.936 175.643 174.700 0.012 0.000 1.050 151 T CA -0.236 61.871 62.100 0.012 0.000 1.011 151 T CB 1.856 70.730 68.868 0.011 0.000 1.195 151 T HN 0.560 nan 8.240 nan 0.000 0.540 152 A N 0.508 123.335 122.820 0.012 0.000 1.908 152 A HA -0.046 4.275 4.320 0.001 0.000 0.218 152 A C 1.533 179.122 177.584 0.007 0.000 1.181 152 A CA 1.735 53.779 52.037 0.011 0.000 0.627 152 A CB -1.037 17.970 19.000 0.011 0.000 0.818 152 A HN 0.837 nan 8.150 nan 0.000 0.445 153 D N -0.694 119.709 120.400 0.005 0.000 2.325 153 D HA 0.095 4.736 4.640 0.001 0.000 0.234 153 D C 0.693 176.991 176.300 -0.003 0.000 1.122 153 D CA 1.171 55.171 54.000 0.001 0.000 0.850 153 D CB -0.014 40.786 40.800 0.000 0.000 0.921 153 D HN 0.561 nan 8.370 nan 0.000 0.513 154 T N -3.735 110.818 114.554 -0.001 0.000 3.672 154 T HA 0.225 4.576 4.350 0.001 0.000 0.296 154 T C 1.101 175.799 174.700 -0.003 0.000 0.979 154 T CA -0.605 61.491 62.100 -0.008 0.000 1.013 154 T CB 0.252 69.115 68.868 -0.009 0.000 1.184 154 T HN -0.178 nan 8.240 nan 0.000 0.477 155 K N 1.129 121.532 120.400 0.005 0.000 2.062 155 K HA 0.184 4.505 4.320 0.001 0.000 0.205 155 K C 2.566 179.167 176.600 0.002 0.000 1.051 155 K CA 1.294 57.593 56.287 0.020 0.000 0.941 155 K CB -0.214 32.302 32.500 0.026 0.000 0.719 155 K HN 0.450 nan 8.250 nan 0.000 0.440 156 A N 1.209 124.015 122.820 -0.023 0.000 1.930 156 A HA -0.187 4.134 4.320 0.001 0.000 0.217 156 A C 2.026 179.553 177.584 -0.095 0.000 1.175 156 A CA 1.285 53.288 52.037 -0.056 0.000 0.627 156 A CB -0.323 18.646 19.000 -0.051 0.000 0.815 156 A HN 0.195 nan 8.150 nan 0.000 0.443 157 Q N -0.726 119.027 119.800 -0.080 0.000 2.119 157 Q HA -0.148 4.193 4.340 0.001 0.000 0.201 157 Q C 2.275 178.186 176.000 -0.148 0.000 0.972 157 Q CA 1.572 57.311 55.803 -0.107 0.000 0.847 157 Q CB -0.255 28.438 28.738 -0.075 0.000 0.903 157 Q HN 0.730 nan 8.270 nan 0.000 0.433 158 Q N 0.898 120.641 119.800 -0.095 0.000 2.079 158 Q HA -0.208 4.133 4.340 0.001 0.000 0.200 158 Q C 1.608 177.525 176.000 -0.138 0.000 0.974 158 Q CA 1.403 57.159 55.803 -0.079 0.000 0.840 158 Q CB 0.101 28.871 28.738 0.054 0.000 0.898 158 Q HN 0.514 nan 8.270 nan 0.000 0.430 159 E N -0.054 120.046 120.200 -0.166 0.000 2.085 159 E HA -0.181 4.170 4.350 0.001 0.000 0.194 159 E C 1.892 178.001 176.600 -0.817 0.000 0.994 159 E CA 1.053 57.128 56.400 -0.541 0.000 0.801 159 E CB -0.093 29.415 29.700 -0.320 0.000 0.743 159 E HN 0.444 nan 8.360 nan 0.000 0.453 160 A N 1.068 123.606 122.820 -0.470 0.000 1.972 160 A HA -0.264 4.057 4.320 0.001 0.000 0.219 160 A C 2.013 179.339 177.584 -0.430 0.000 1.169 160 A CA 1.396 53.191 52.037 -0.403 0.000 0.635 160 A CB -0.411 18.436 19.000 -0.254 0.000 0.810 160 A HN 0.212 nan 8.150 nan 0.000 0.446 161 Q N -0.807 118.696 119.800 -0.494 0.000 2.020 161 Q HA -0.188 4.153 4.340 0.001 0.000 0.202 161 Q C 2.142 177.784 176.000 -0.596 0.000 0.982 161 Q CA 1.821 57.225 55.803 -0.665 0.000 0.838 161 Q CB -0.362 27.696 28.738 -1.133 0.000 0.899 161 Q HN 1.066 nan 8.270 nan 0.000 0.423 162 W N 0.116 121.112 121.300 -0.508 0.000 2.518 162 W HA 0.015 4.676 4.660 0.001 0.000 0.273 162 W C 1.149 177.642 176.519 -0.044 0.000 1.247 162 W CA 0.237 57.487 57.345 -0.157 0.000 1.288 162 W CB -0.469 28.970 29.460 -0.036 0.000 1.107 162 W HN 0.079 nan 8.180 nan 0.000 0.586 163 L N 1.288 122.220 121.223 -0.485 0.000 2.141 163 L HA -0.196 4.145 4.340 0.001 0.000 0.209 163 L C 2.459 179.311 176.870 -0.030 0.000 1.094 163 L CA 2.054 56.706 54.840 -0.313 0.000 0.763 163 L CB -0.898 40.828 42.059 -0.555 0.000 0.908 163 L HN -0.049 nan 8.230 nan 0.000 0.437 164 D N -0.185 120.153 120.400 -0.103 0.000 2.097 164 D HA -0.167 4.474 4.640 0.001 0.000 0.195 164 D C 2.120 178.440 176.300 0.033 0.000 0.989 164 D CA 1.174 55.147 54.000 -0.046 0.000 0.827 164 D CB 0.116 40.865 40.800 -0.084 0.000 0.966 164 D HN 0.003 nan 8.370 nan 0.000 0.456 165 V N 0.234 120.210 119.914 0.102 0.000 2.407 165 V HA -0.184 3.937 4.120 0.001 0.000 0.248 165 V C 2.184 178.377 176.094 0.165 0.000 1.055 165 V CA 1.664 64.060 62.300 0.159 0.000 1.049 165 V CB -0.826 31.157 31.823 0.267 0.000 0.662 165 V HN 0.271 nan 8.190 nan 0.000 0.455 166 F N 1.493 121.494 119.950 0.084 0.000 2.069 166 F HA -0.180 4.348 4.527 0.002 0.000 0.298 166 F C 2.456 178.271 175.800 0.025 0.000 1.113 166 F CA 2.026 60.067 58.000 0.068 0.000 1.214 166 F CB -0.342 38.724 39.000 0.109 0.000 0.978 166 F HN 0.144 nan 8.300 nan 0.000 0.474 167 E N -0.002 120.089 120.200 -0.182 0.000 2.051 167 E HA -0.178 4.173 4.350 0.001 0.000 0.192 167 E C 2.351 178.826 176.600 -0.208 0.000 0.991 167 E CA 2.174 58.402 56.400 -0.288 0.000 0.799 167 E CB -1.225 28.403 29.700 -0.120 0.000 0.748 167 E HN 0.594 nan 8.360 nan 0.000 0.449 168 T N -0.600 113.892 114.554 -0.104 0.000 2.951 168 T HA -0.087 4.264 4.350 0.001 0.000 0.268 168 T C 2.050 176.709 174.700 -0.070 0.000 1.073 168 T CA 1.426 63.485 62.100 -0.068 0.000 1.134 168 T CB -0.300 68.553 68.868 -0.025 0.000 0.884 168 T HN 0.135 nan 8.240 nan 0.000 0.479 169 S N 0.975 116.629 115.700 -0.077 0.000 2.481 169 S HA 0.299 4.770 4.470 0.001 0.000 0.231 169 S C 2.112 176.659 174.600 -0.089 0.000 0.996 169 S CA 0.661 58.827 58.200 -0.058 0.000 0.942 169 S CB -1.009 62.179 63.200 -0.020 0.000 0.768 169 S HN 1.297 nan 8.310 nan 0.000 0.520 170 G N 0.933 109.637 108.800 -0.160 0.000 2.162 170 G HA2 -0.142 3.819 3.960 0.001 0.000 0.260 170 G HA3 -0.142 3.819 3.960 0.001 0.000 0.260 170 G C 0.294 175.104 174.900 -0.151 0.000 0.976 170 G CA 0.109 45.119 45.100 -0.149 0.000 0.655 170 G HN 1.384 nan 8.290 nan 0.000 0.533 171 A N 0.393 123.102 122.820 -0.184 0.000 2.531 171 A HA 0.530 4.851 4.320 0.001 0.000 0.236 171 A C 1.210 178.774 177.584 -0.033 0.000 1.062 171 A CA 1.227 53.234 52.037 -0.050 0.000 0.760 171 A CB 0.167 19.244 19.000 0.128 0.000 0.995 171 A HN 1.158 nan 8.150 nan 0.000 0.501 172 E N 1.089 121.360 120.200 0.120 0.000 2.489 172 E HA 0.356 4.707 4.350 0.001 0.000 0.204 172 E C -0.236 176.528 176.600 0.273 0.000 1.006 172 E CA -0.245 56.278 56.400 0.205 0.000 0.936 172 E CB 0.194 30.011 29.700 0.195 0.000 1.002 172 E HN 0.412 nan 8.360 nan 0.000 0.488 173 L N 0.964 122.300 121.223 0.189 0.000 2.455 173 L HA 0.438 4.779 4.340 0.001 0.000 0.264 173 L C -1.666 175.160 176.870 -0.073 0.000 0.968 173 L CA -1.023 53.757 54.840 -0.100 0.000 0.827 173 L CB 2.515 44.306 42.059 -0.447 0.000 1.317 173 L HN -0.107 nan 8.230 nan 0.000 0.407 174 V N 5.891 125.674 119.914 -0.218 0.000 2.384 174 V HA 0.492 4.613 4.120 0.001 0.000 0.287 174 V C -0.048 175.884 176.094 -0.270 0.000 1.020 174 V CA -0.346 61.798 62.300 -0.260 0.000 0.850 174 V CB 1.496 33.083 31.823 -0.393 0.000 0.987 174 V HN 0.590 nan 8.190 nan 0.000 0.436 175 I N 5.934 126.353 120.570 -0.253 0.000 2.304 175 I HA 0.335 4.506 4.170 0.001 0.000 0.291 175 I C -0.200 175.770 176.117 -0.244 0.000 1.018 175 I CA -0.276 60.877 61.300 -0.244 0.000 1.260 175 I CB 1.212 39.081 38.000 -0.218 0.000 1.390 175 I HN 0.396 nan 8.210 nan 0.000 0.475 176 L N 7.130 128.221 121.223 -0.221 0.000 2.358 176 L HA 0.373 4.714 4.340 0.001 0.000 0.274 176 L C 0.771 177.564 176.870 -0.129 0.000 1.136 176 L CA -0.311 54.426 54.840 -0.172 0.000 0.970 176 L CB 0.463 42.450 42.059 -0.121 0.000 1.314 176 L HN 0.695 nan 8.230 nan 0.000 0.427 177 A N 4.434 127.174 122.820 -0.132 0.000 3.037 177 A HA 0.294 4.614 4.320 0.001 0.000 0.272 177 A C 0.677 178.191 177.584 -0.116 0.000 1.723 177 A CA -0.400 51.551 52.037 -0.144 0.000 1.413 177 A CB -0.442 18.454 19.000 -0.174 0.000 1.112 177 A HN 0.682 nan 8.150 nan 0.000 0.606 178 R N -0.890 119.560 120.500 -0.082 0.000 3.336 178 R HA -0.212 4.128 4.340 0.001 0.000 0.260 178 R C -0.337 175.985 176.300 0.038 0.000 1.032 178 R CA 0.745 56.824 56.100 -0.035 0.000 0.693 178 R CB -2.813 27.433 30.300 -0.090 0.000 1.134 178 R HN 0.778 nan 8.270 nan 0.000 0.433 182 V N 3.112 123.022 119.914 -0.007 0.000 2.529 182 V HA 0.018 4.139 4.120 0.001 0.000 0.292 182 V C 0.401 176.567 176.094 0.119 0.000 1.028 182 V CA 0.018 62.350 62.300 0.053 0.000 1.074 182 V CB 0.207 32.053 31.823 0.038 0.000 0.958 182 V HN 0.514 nan 8.190 nan 0.000 0.481 183 L N 5.680 126.997 121.223 0.157 0.000 2.349 183 L HA 0.272 4.613 4.340 0.001 0.000 0.275 183 L C 0.877 177.820 176.870 0.122 0.000 1.115 183 L CA 0.769 55.729 54.840 0.201 0.000 0.820 183 L CB 1.323 43.522 42.059 0.234 0.000 1.135 183 L HN 0.883 nan 8.230 nan 0.000 0.445 184 S N 3.573 119.333 115.700 0.100 0.000 2.576 184 S HA 0.173 4.644 4.470 0.001 0.000 0.272 184 S C -1.773 172.852 174.600 0.042 0.000 1.352 184 S CA -0.805 57.426 58.200 0.052 0.000 1.021 184 S CB 0.239 63.452 63.200 0.022 0.000 0.887 184 S HN 0.526 nan 8.310 nan 0.000 0.542 185 P HA -0.139 nan 4.420 nan 0.000 0.216 185 P C 1.498 178.806 177.300 0.013 0.000 1.153 185 P CA 1.488 64.602 63.100 0.024 0.000 0.858 185 P CB 0.017 31.728 31.700 0.017 0.000 0.789 186 E N -0.430 119.768 120.200 -0.003 0.000 2.077 186 E HA -0.193 4.158 4.350 0.001 0.000 0.193 186 E C 1.944 178.525 176.600 -0.033 0.000 0.989 186 E CA 1.212 57.600 56.400 -0.021 0.000 0.800 186 E CB -0.515 29.163 29.700 -0.038 0.000 0.746 186 E HN 0.049 nan 8.360 nan 0.000 0.452 187 A N 0.537 123.334 122.820 -0.038 0.000 1.902 187 A HA -0.175 4.146 4.320 0.001 0.000 0.217 187 A C 2.374 179.962 177.584 0.008 0.000 1.181 187 A CA 1.910 53.915 52.037 -0.053 0.000 0.623 187 A CB -0.601 18.385 19.000 -0.023 0.000 0.818 187 A HN 0.292 nan 8.150 nan 0.000 0.443 188 S N -0.113 115.613 115.700 0.042 0.000 2.382 188 S HA -0.019 4.452 4.470 0.001 0.000 0.228 188 S C 2.267 176.891 174.600 0.039 0.000 1.027 188 S CA 1.143 59.378 58.200 0.058 0.000 0.991 188 S CB -0.434 62.808 63.200 0.070 0.000 0.823 188 S HN 0.797 nan 8.310 nan 0.000 0.469 189 A N 1.812 124.647 122.820 0.024 0.000 1.898 189 A HA -0.071 4.250 4.320 0.001 0.000 0.216 189 A C 2.083 179.676 177.584 0.016 0.000 1.181 189 A CA 1.452 53.501 52.037 0.020 0.000 0.620 189 A CB -0.532 18.475 19.000 0.013 0.000 0.819 189 A HN 0.421 nan 8.150 nan 0.000 0.442 190 R N -0.419 120.083 120.500 0.003 0.000 2.091 190 R HA -0.028 4.313 4.340 0.001 0.000 0.238 190 R C 1.402 177.715 176.300 0.022 0.000 1.136 190 R CA 1.561 57.665 56.100 0.007 0.000 0.959 190 R CB -0.290 29.995 30.300 -0.026 0.000 0.856 190 R HN 0.508 nan 8.270 nan 0.000 0.437 191 L N 0.951 122.171 121.223 -0.005 0.000 2.592 191 L HA 0.258 4.599 4.340 0.001 0.000 0.227 191 L C 0.476 177.352 176.870 0.009 0.000 1.127 191 L CA -0.416 54.405 54.840 -0.031 0.000 0.884 191 L CB 0.097 42.109 42.059 -0.079 0.000 1.065 191 L HN 0.143 nan 8.230 nan 0.000 0.457 192 A N 1.171 124.006 122.820 0.025 0.000 2.573 192 A HA -0.066 4.255 4.320 0.001 0.000 0.250 192 A C 0.957 178.535 177.584 -0.010 0.000 1.049 192 A CA 0.376 52.429 52.037 0.027 0.000 0.767 192 A CB -0.263 18.752 19.000 0.024 0.000 0.965 192 A HN 0.672 nan 8.150 nan 0.000 0.514 193 N N 0.868 119.541 118.700 -0.044 0.000 2.863 193 N HA -0.183 4.558 4.740 0.001 0.000 0.245 193 N C 0.408 175.844 175.510 -0.122 0.000 1.001 193 N CA 1.884 54.755 53.050 -0.299 0.000 0.901 193 N CB -0.645 37.629 38.487 -0.354 0.000 1.124 193 N HN 0.876 nan 8.380 nan 0.000 0.582 194 R N -0.389 120.137 120.500 0.043 0.000 2.596 194 R HA 0.542 4.883 4.340 0.001 0.000 0.369 194 R C -0.031 176.243 176.300 -0.043 0.000 1.042 194 R CA 0.373 56.519 56.100 0.076 0.000 1.120 194 R CB 1.156 31.534 30.300 0.129 0.000 1.353 194 R HN 0.200 nan 8.270 nan 0.000 0.564 195 A N 1.043 123.876 122.820 0.022 0.000 2.486 195 A HA 0.638 4.959 4.320 0.001 0.000 0.300 195 A C -0.966 176.603 177.584 -0.025 0.000 1.048 195 A CA -0.604 51.382 52.037 -0.085 0.000 0.696 195 A CB 1.346 20.281 19.000 -0.108 0.000 1.278 195 A HN 0.145 nan 8.150 nan 0.000 0.405 196 I N 2.050 122.508 120.570 -0.187 0.000 2.406 196 I HA 0.335 4.506 4.170 0.001 0.000 0.290 196 I C -0.273 175.666 176.117 -0.298 0.000 0.999 196 I CA -0.629 60.502 61.300 -0.280 0.000 1.124 196 I CB 2.065 39.855 38.000 -0.351 0.000 1.289 196 I HN 0.736 nan 8.210 nan 0.000 0.441 197 N N 5.313 123.756 118.700 -0.429 0.000 2.404 197 N HA 0.680 5.421 4.740 0.001 0.000 0.297 197 N C -1.492 173.788 175.510 -0.383 0.000 1.163 197 N CA -0.474 52.335 53.050 -0.402 0.000 0.864 197 N CB 1.891 40.110 38.487 -0.448 0.000 1.247 197 N HN 0.488 nan 8.380 nan 0.000 0.510 198 I N 1.396 121.855 120.570 -0.186 0.000 2.582 198 I HA 0.485 4.655 4.170 0.001 0.000 0.292 198 I C -1.304 174.810 176.117 -0.005 0.000 1.066 198 I CA -0.273 60.948 61.300 -0.131 0.000 1.053 198 I CB 1.285 39.215 38.000 -0.116 0.000 1.241 198 I HN 0.895 nan 8.210 nan 0.000 0.421 199 H N 4.290 123.347 119.070 -0.022 0.000 2.990 199 H HA 0.571 5.127 4.556 0.001 0.000 0.343 199 H C -1.176 174.115 175.328 -0.061 0.000 1.270 199 H CA -0.927 55.072 56.048 -0.082 0.000 1.118 199 H CB 0.844 30.566 29.762 -0.066 0.000 1.861 199 H HN 0.627 nan 8.280 nan 0.000 0.544 200 H N 0.371 119.532 119.070 0.152 0.000 2.603 200 H HA 0.671 5.228 4.556 0.002 0.000 0.370 200 H C -0.829 174.417 175.328 -0.136 0.000 1.225 200 H CA -0.595 55.404 56.048 -0.082 0.000 1.410 200 H CB 0.808 30.483 29.762 -0.145 0.000 1.495 200 H HN 0.501 nan 8.280 nan 0.000 0.602 201 S N 0.894 116.422 115.700 -0.286 0.000 2.540 201 S HA 0.471 4.942 4.470 0.001 0.000 0.275 201 S C -1.347 172.903 174.600 -0.583 0.000 1.123 201 S CA -0.711 57.331 58.200 -0.263 0.000 0.907 201 S CB 1.103 64.237 63.200 -0.111 0.000 1.081 201 S HN 0.491 nan 8.310 nan 0.000 0.476 202 F N 1.497 121.459 119.950 0.020 0.000 2.593 202 F HA 0.701 5.229 4.527 0.001 0.000 0.320 202 F C -0.645 175.092 175.800 -0.105 0.000 1.060 202 F CA -1.067 56.920 58.000 -0.022 0.000 0.940 202 F CB 1.317 40.325 39.000 0.013 0.000 1.268 202 F HN 0.352 nan 8.300 nan 0.000 0.475 203 L N 5.468 126.762 121.223 0.119 0.000 2.345 203 L HA 0.639 4.980 4.340 0.001 0.000 0.274 203 L C -2.496 174.356 176.870 -0.030 0.000 0.999 203 L CA -2.166 52.676 54.840 0.002 0.000 0.849 203 L CB 0.454 42.523 42.059 0.017 0.000 1.220 203 L HN 0.289 nan 8.230 nan 0.000 0.422 204 P HA 0.311 nan 4.420 nan 0.000 0.275 204 P C -0.049 176.906 177.300 -0.574 0.000 1.266 204 P CA -0.370 62.549 63.100 -0.301 0.000 0.793 204 P CB 0.616 32.139 31.700 -0.294 0.000 1.074 205 G N -0.280 108.280 108.800 -0.401 0.000 2.483 205 G HA2 0.417 4.377 3.960 0.001 0.000 0.248 205 G HA3 0.417 4.377 3.960 0.001 0.000 0.248 205 G C -1.115 173.395 174.900 -0.650 0.000 1.248 205 G CA -0.266 44.640 45.100 -0.324 0.000 0.838 205 G HN 0.258 nan 8.290 nan 0.000 0.566 206 F N 1.326 121.273 119.950 -0.005 0.000 2.493 206 F HA 0.471 4.999 4.527 0.001 0.000 0.329 206 F C 0.400 176.171 175.800 -0.048 0.000 1.126 206 F CA -0.977 56.943 58.000 -0.134 0.000 0.937 206 F CB 2.294 41.044 39.000 -0.417 0.000 1.146 206 F HN 0.054 nan 8.300 nan 0.000 0.442 207 K N 1.569 122.046 120.400 0.128 0.000 2.208 207 K HA 0.841 5.161 4.320 0.001 0.000 0.247 207 K C 0.381 177.025 176.600 0.073 0.000 0.953 207 K CA -0.360 55.981 56.287 0.090 0.000 0.837 207 K CB 1.793 34.324 32.500 0.052 0.000 1.131 207 K HN 0.816 nan 8.250 nan 0.000 0.431 208 G N 0.456 109.294 108.800 0.064 0.000 2.627 208 G HA2 -0.077 3.884 3.960 0.001 0.000 0.214 208 G HA3 -0.077 3.884 3.960 0.001 0.000 0.214 208 G C -0.627 174.299 174.900 0.043 0.000 1.331 208 G CA -0.429 44.698 45.100 0.046 0.000 0.891 208 G HN 0.748 nan 8.290 nan 0.000 0.539 209 A N -0.020 122.815 122.820 0.025 0.000 2.445 209 A HA 0.564 4.885 4.320 0.001 0.000 0.242 209 A C 1.216 178.803 177.584 0.006 0.000 1.075 209 A CA 1.342 53.392 52.037 0.020 0.000 0.777 209 A CB -0.063 18.938 19.000 0.001 0.000 1.013 209 A HN 1.771 nan 8.150 nan 0.000 0.493 210 K N 0.755 121.177 120.400 0.036 0.000 3.419 210 K HA -0.133 4.188 4.320 0.001 0.000 0.272 210 K C -1.994 174.605 176.600 -0.001 0.000 0.973 210 K CA 0.870 57.198 56.287 0.068 0.000 0.749 210 K CB -1.319 31.167 32.500 -0.022 0.000 1.403 210 K HN 0.690 nan 8.250 nan 0.000 0.456 211 P HA -0.176 nan 4.420 nan 0.000 0.218 211 P C 1.199 178.117 177.300 -0.638 0.000 1.149 211 P CA 1.277 64.138 63.100 -0.397 0.000 0.817 211 P CB -0.044 31.413 31.700 -0.404 0.000 0.785 212 Y N -0.565 119.616 120.300 -0.198 0.000 2.373 212 Y HA -0.135 4.416 4.550 0.001 0.000 0.293 212 Y C 2.706 178.463 175.900 -0.239 0.000 1.129 212 Y CA 1.339 59.330 58.100 -0.182 0.000 1.226 212 Y CB -1.361 37.076 38.460 -0.037 0.000 1.000 212 Y HN 0.119 nan 8.280 nan 0.000 0.549 213 H N -0.781 118.257 119.070 -0.052 0.000 2.357 213 H HA -0.120 4.436 4.556 0.001 0.000 0.301 213 H C 2.044 177.251 175.328 -0.202 0.000 1.082 213 H CA 1.693 57.694 56.048 -0.078 0.000 1.342 213 H CB -0.111 29.611 29.762 -0.067 0.000 1.389 213 H HN 0.355 nan 8.280 nan 0.000 0.511 214 Q N -0.100 119.519 119.800 -0.302 0.000 2.084 214 Q HA -0.132 4.209 4.340 0.001 0.000 0.202 214 Q C 2.554 177.937 176.000 -1.027 0.000 0.978 214 Q CA 1.198 56.616 55.803 -0.641 0.000 0.844 214 Q CB -0.113 28.117 28.738 -0.847 0.000 0.898 214 Q HN 0.516 nan 8.270 nan 0.000 0.426 215 A N 0.838 122.961 122.820 -1.162 0.000 1.930 215 A HA -0.230 4.091 4.320 0.001 0.000 0.217 215 A C 1.953 179.378 177.584 -0.264 0.000 1.175 215 A CA 1.539 53.093 52.037 -0.804 0.000 0.627 215 A CB -0.797 17.885 19.000 -0.530 0.000 0.815 215 A HN 0.469 nan 8.150 nan 0.000 0.443 216 H N 0.099 119.027 119.070 -0.237 0.000 2.357 216 H HA -0.036 4.522 4.556 0.002 0.000 0.301 216 H C 2.247 177.518 175.328 -0.095 0.000 1.082 216 H CA 1.671 57.653 56.048 -0.111 0.000 1.342 216 H CB -0.218 29.479 29.762 -0.108 0.000 1.389 216 H HN 0.389 nan 8.280 nan 0.000 0.511 217 A N 1.089 123.854 122.820 -0.092 0.000 1.902 217 A HA -0.183 4.138 4.320 0.001 0.000 0.217 217 A C 2.483 179.989 177.584 -0.129 0.000 1.181 217 A CA 1.733 53.717 52.037 -0.089 0.000 0.623 217 A CB -0.503 18.469 19.000 -0.047 0.000 0.818 217 A HN 0.341 nan 8.150 nan 0.000 0.443 218 R N -0.783 119.634 120.500 -0.139 0.000 2.276 218 R HA 0.123 4.464 4.340 0.001 0.000 0.203 218 R C 1.141 177.426 176.300 -0.026 0.000 1.017 218 R CA 0.832 56.916 56.100 -0.027 0.000 1.010 218 R CB -0.693 29.677 30.300 0.116 0.000 0.900 218 R HN 0.824 nan 8.270 nan 0.000 0.469 219 G N 0.792 109.532 108.800 -0.100 0.000 2.314 219 G HA2 -0.254 3.707 3.960 0.001 0.000 0.292 219 G HA3 -0.254 3.707 3.960 0.001 0.000 0.292 219 G C 0.152 175.051 174.900 -0.001 0.000 1.059 219 G CA 0.304 45.355 45.100 -0.081 0.000 0.982 219 G HN 0.453 nan 8.290 nan 0.000 0.505 220 V N -2.934 117.004 119.914 0.040 0.000 2.999 220 V HA 0.578 4.699 4.120 0.001 0.000 0.307 220 V C 1.079 177.196 176.094 0.038 0.000 1.084 220 V CA 0.212 62.564 62.300 0.087 0.000 1.155 220 V CB 1.244 33.181 31.823 0.190 0.000 0.975 220 V HN 0.170 nan 8.190 nan 0.000 0.490 221 K N 2.850 123.268 120.400 0.029 0.000 2.387 221 K HA 0.511 4.832 4.320 0.001 0.000 0.203 221 K C -0.418 176.164 176.600 -0.030 0.000 1.030 221 K CA 0.200 56.479 56.287 -0.014 0.000 1.099 221 K CB 0.289 32.788 32.500 -0.001 0.000 0.863 221 K HN 0.722 nan 8.250 nan 0.000 0.529 222 L N 1.065 122.295 121.223 0.013 0.000 2.434 222 L HA 0.522 4.863 4.340 0.001 0.000 0.260 222 L C -0.948 175.962 176.870 0.067 0.000 0.983 222 L CA -0.956 53.890 54.840 0.010 0.000 0.820 222 L CB 2.140 44.208 42.059 0.014 0.000 1.361 222 L HN -0.230 nan 8.230 nan 0.000 0.410 223 I N 1.061 121.651 120.570 0.034 0.000 2.545 223 I HA 0.712 4.882 4.170 0.001 0.000 0.292 223 I C 0.264 176.356 176.117 -0.042 0.000 1.040 223 I CA -0.161 61.170 61.300 0.053 0.000 1.068 223 I CB 1.776 39.842 38.000 0.111 0.000 1.251 223 I HN 0.724 nan 8.210 nan 0.000 0.424 224 G N 3.413 112.123 108.800 -0.150 0.000 3.105 224 G HA2 0.920 4.881 3.960 0.001 0.000 0.277 224 G HA3 0.920 4.881 3.960 0.001 0.000 0.277 224 G C -1.739 173.067 174.900 -0.156 0.000 1.375 224 G CA -0.582 44.440 45.100 -0.130 0.000 0.962 224 G HN 0.817 nan 8.290 nan 0.000 0.541 225 A N -1.278 121.468 122.820 -0.124 0.000 2.604 225 A HA 0.812 5.133 4.320 0.001 0.000 0.295 225 A C -0.832 176.644 177.584 -0.180 0.000 1.067 225 A CA -0.444 51.509 52.037 -0.140 0.000 0.683 225 A CB 1.564 20.516 19.000 -0.081 0.000 1.281 225 A HN 0.914 nan 8.150 nan 0.000 0.407 226 T N 1.156 115.522 114.554 -0.314 0.000 2.848 226 T HA 0.705 5.056 4.350 0.001 0.000 0.285 226 T C -0.244 174.288 174.700 -0.280 0.000 0.995 226 T CA 0.206 62.129 62.100 -0.295 0.000 0.970 226 T CB 1.581 70.252 68.868 -0.327 0.000 0.976 226 T HN 1.526 nan 8.240 nan 0.000 0.441 227 A N 3.351 126.074 122.820 -0.161 0.000 2.317 227 A HA 0.841 5.162 4.320 0.001 0.000 0.327 227 A C -0.584 176.936 177.584 -0.106 0.000 1.178 227 A CA -0.651 51.280 52.037 -0.177 0.000 0.817 227 A CB 0.251 19.135 19.000 -0.192 0.000 1.189 227 A HN 1.098 nan 8.150 nan 0.000 0.489 228 H N -0.838 118.133 119.070 -0.166 0.000 3.016 228 H HA 0.719 5.276 4.556 0.002 0.000 0.362 228 H C -1.491 173.759 175.328 -0.129 0.000 1.233 228 H CA -1.118 54.852 56.048 -0.130 0.000 1.124 228 H CB 0.411 30.178 29.762 0.008 0.000 1.850 228 H HN 0.339 nan 8.280 nan 0.000 0.549 229 F N 1.156 121.185 119.950 0.131 0.000 2.471 229 F HA 0.273 4.801 4.527 0.001 0.000 0.353 229 F C 0.384 176.290 175.800 0.176 0.000 1.113 229 F CA -0.399 57.649 58.000 0.080 0.000 1.262 229 F CB 0.868 39.929 39.000 0.101 0.000 1.146 229 F HN 0.348 nan 8.300 nan 0.000 0.578 230 V N 2.894 122.980 119.914 0.286 0.000 2.555 230 V HA 0.347 4.468 4.120 0.001 0.000 0.286 230 V C 0.293 176.505 176.094 0.197 0.000 1.044 230 V CA -0.019 62.414 62.300 0.222 0.000 1.026 230 V CB 0.737 32.629 31.823 0.115 0.000 0.981 230 V HN 0.957 nan 8.190 nan 0.000 0.480 231 T N 0.270 114.928 114.554 0.173 0.000 2.838 231 T HA 0.403 4.754 4.350 0.001 0.000 0.292 231 T C -0.542 174.211 174.700 0.088 0.000 1.113 231 T CA -0.736 61.431 62.100 0.112 0.000 1.008 231 T CB 1.880 70.812 68.868 0.106 0.000 1.259 231 T HN 0.455 nan 8.240 nan 0.000 0.520 232 D N 0.661 121.099 120.400 0.063 0.000 3.139 232 D HA 0.288 4.929 4.640 0.001 0.000 0.268 232 D C -0.746 175.581 176.300 0.044 0.000 1.322 232 D CA -0.276 53.754 54.000 0.050 0.000 0.940 232 D CB -0.449 40.373 40.800 0.037 0.000 1.050 232 D HN 0.391 nan 8.370 nan 0.000 0.503 233 D N 0.147 120.576 120.400 0.048 0.000 2.449 233 D HA 0.088 4.729 4.640 0.001 0.000 0.250 233 D C 1.273 177.590 176.300 0.029 0.000 1.050 233 D CA -0.720 53.303 54.000 0.038 0.000 1.024 233 D CB 1.748 42.574 40.800 0.043 0.000 1.218 233 D HN 0.041 nan 8.370 nan 0.000 0.566 234 L N 0.438 121.674 121.223 0.022 0.000 2.056 234 L HA -0.024 4.317 4.340 0.001 0.000 0.207 234 L C 0.389 177.263 176.870 0.006 0.000 1.078 234 L CA 1.866 56.715 54.840 0.014 0.000 0.749 234 L CB -0.027 42.039 42.059 0.012 0.000 0.901 234 L HN 0.293 nan 8.230 nan 0.000 0.433 235 D N -1.111 119.290 120.400 0.002 0.000 2.449 235 D HA 0.107 4.748 4.640 0.001 0.000 0.250 235 D C -0.620 175.661 176.300 -0.032 0.000 1.050 235 D CA -0.632 53.356 54.000 -0.020 0.000 1.024 235 D CB 0.796 41.583 40.800 -0.021 0.000 1.218 235 D HN 0.093 nan 8.370 nan 0.000 0.566 236 E N 0.161 120.304 120.200 -0.096 0.000 2.708 236 E HA 0.094 4.445 4.350 0.001 0.000 0.260 236 E C 0.434 176.973 176.600 -0.101 0.000 0.937 236 E CA -0.088 56.185 56.400 -0.213 0.000 0.953 236 E CB 0.376 29.840 29.700 -0.393 0.000 0.915 236 E HN 0.448 nan 8.360 nan 0.000 0.487 237 G N 4.390 113.202 108.800 0.019 0.000 2.590 237 G HA2 0.118 4.078 3.960 0.001 0.000 0.276 237 G HA3 0.118 4.078 3.960 0.001 0.000 0.276 237 G C -2.289 172.714 174.900 0.171 0.000 1.337 237 G CA -0.992 44.203 45.100 0.158 0.000 1.030 237 G HN 0.531 nan 8.290 nan 0.000 0.534 238 P HA 0.127 nan 4.420 nan 0.000 0.268 238 P C 0.028 177.461 177.300 0.222 0.000 1.204 238 P CA 0.075 63.313 63.100 0.231 0.000 0.768 238 P CB 0.553 32.434 31.700 0.302 0.000 0.842 239 I N 3.938 124.584 120.570 0.127 0.000 2.618 239 I HA -0.001 4.170 4.170 0.001 0.000 0.284 239 I C 1.581 177.716 176.117 0.031 0.000 1.146 239 I CA 0.499 61.845 61.300 0.077 0.000 1.425 239 I CB 0.365 38.387 38.000 0.036 0.000 1.383 239 I HN 0.402 nan 8.210 nan 0.000 0.562 240 I N 3.375 123.915 120.570 -0.051 0.000 3.194 240 I HA 0.127 4.298 4.170 0.001 0.000 0.271 240 I C 0.468 176.535 176.117 -0.082 0.000 1.150 240 I CA 0.480 61.713 61.300 -0.111 0.000 1.440 240 I CB 0.346 38.175 38.000 -0.284 0.000 1.276 240 I HN 0.545 nan 8.210 nan 0.000 0.457 241 E N 0.530 120.679 120.200 -0.085 0.000 2.372 241 E HA 0.418 4.769 4.350 0.001 0.000 0.279 241 E C -1.540 175.016 176.600 -0.073 0.000 0.946 241 E CA -0.503 55.854 56.400 -0.071 0.000 0.769 241 E CB 1.577 31.231 29.700 -0.076 0.000 1.230 241 E HN 0.050 nan 8.360 nan 0.000 0.442 242 Q N 1.290 121.054 119.800 -0.060 0.000 2.347 242 Q HA 0.756 5.097 4.340 0.001 0.000 0.271 242 Q C -1.310 174.659 176.000 -0.052 0.000 1.064 242 Q CA -1.156 54.608 55.803 -0.063 0.000 0.800 242 Q CB 2.775 31.482 28.738 -0.051 0.000 1.304 242 Q HN 0.349 nan 8.270 nan 0.000 0.438 243 V N 1.445 121.325 119.914 -0.056 0.000 2.971 243 V HA 0.693 4.813 4.120 0.001 0.000 0.309 243 V C -0.687 175.380 176.094 -0.045 0.000 1.130 243 V CA -0.872 61.402 62.300 -0.043 0.000 0.964 243 V CB 2.118 33.918 31.823 -0.038 0.000 1.029 243 V HN 0.635 nan 8.190 nan 0.000 0.427 244 V N 0.470 120.363 119.914 -0.035 0.000 3.040 244 V HA 0.878 4.999 4.120 0.001 0.000 0.312 244 V C -0.879 175.199 176.094 -0.027 0.000 1.115 244 V CA -0.625 61.654 62.300 -0.034 0.000 0.998 244 V CB 2.061 33.867 31.823 -0.028 0.000 1.042 244 V HN 1.021 nan 8.190 nan 0.000 0.433 245 E N 1.792 121.974 120.200 -0.029 0.000 2.266 245 E HA 0.523 4.874 4.350 0.001 0.000 0.268 245 E C -0.731 175.834 176.600 -0.057 0.000 0.879 245 E CA -1.031 55.348 56.400 -0.034 0.000 0.762 245 E CB 2.378 32.062 29.700 -0.027 0.000 1.199 245 E HN 0.865 nan 8.360 nan 0.000 0.422 246 R N 2.881 123.342 120.500 -0.065 0.000 2.438 246 R HA 0.346 4.687 4.340 0.001 0.000 0.287 246 R C -0.432 175.743 176.300 -0.209 0.000 1.077 246 R CA -0.273 55.769 56.100 -0.096 0.000 1.034 246 R CB 0.622 30.887 30.300 -0.058 0.000 0.993 246 R HN 0.373 nan 8.270 nan 0.000 0.459 247 V N 0.027 119.759 119.914 -0.304 0.000 3.158 247 V HA 0.693 4.813 4.120 0.001 0.000 0.311 247 V C -1.207 174.653 176.094 -0.390 0.000 1.181 247 V CA -0.897 60.991 62.300 -0.686 0.000 1.054 247 V CB 2.100 33.433 31.823 -0.817 0.000 1.085 247 V HN 0.990 nan 8.190 nan 0.000 0.446 248 D N -1.681 118.491 120.400 -0.381 0.000 2.652 248 D HA 0.320 4.960 4.640 0.001 0.000 0.285 248 D C 0.970 177.241 176.300 -0.048 0.000 1.173 248 D CA 0.090 54.013 54.000 -0.128 0.000 0.981 248 D CB 0.414 41.122 40.800 -0.154 0.000 1.440 248 D HN 0.856 nan 8.370 nan 0.000 0.485 249 H N -0.752 118.365 119.070 0.078 0.000 2.492 249 H HA -0.125 4.432 4.556 0.002 0.000 0.296 249 H C 1.054 176.462 175.328 0.134 0.000 1.095 249 H CA 1.723 57.808 56.048 0.062 0.000 1.281 249 H CB -0.408 29.370 29.762 0.025 0.000 1.374 249 H HN 0.345 nan 8.280 nan 0.000 0.545 250 S N -0.371 115.253 115.700 -0.126 0.000 2.562 250 S HA -0.043 4.428 4.470 0.001 0.000 0.221 250 S C 0.189 174.827 174.600 0.064 0.000 0.975 250 S CA -0.530 57.679 58.200 0.015 0.000 0.918 250 S CB -0.588 62.538 63.200 -0.122 0.000 0.772 250 S HN 0.272 nan 8.310 nan 0.000 0.531 251 Y N 3.524 123.816 120.300 -0.014 0.000 2.486 251 Y HA 0.424 4.975 4.550 0.002 0.000 0.348 251 Y C 1.061 177.011 175.900 0.084 0.000 1.000 251 Y CA -1.097 57.011 58.100 0.013 0.000 1.253 251 Y CB 0.354 38.819 38.460 0.008 0.000 1.140 251 Y HN 0.110 nan 8.280 nan 0.000 0.526 252 R N 4.738 125.279 120.500 0.069 0.000 2.774 252 R HA 0.072 4.413 4.340 0.001 0.000 0.269 252 R C -1.557 174.670 176.300 -0.123 0.000 1.068 252 R CA -1.388 54.661 56.100 -0.084 0.000 1.180 252 R CB -0.204 30.012 30.300 -0.139 0.000 1.077 252 R HN 0.359 nan 8.270 nan 0.000 0.513 253 P HA -0.247 nan 4.420 nan 0.000 0.216 253 P C 0.867 178.013 177.300 -0.256 0.000 1.150 253 P CA 1.380 64.261 63.100 -0.364 0.000 0.843 253 P CB 0.075 31.232 31.700 -0.906 0.000 0.787 254 E N 0.294 120.360 120.200 -0.223 0.000 2.204 254 E HA -0.207 4.144 4.350 0.001 0.000 0.194 254 E C 1.720 178.229 176.600 -0.151 0.000 0.989 254 E CA 1.217 57.516 56.400 -0.169 0.000 0.824 254 E CB -0.941 28.689 29.700 -0.116 0.000 0.756 254 E HN 0.394 nan 8.360 nan 0.000 0.477 255 Q N 0.497 120.237 119.800 -0.099 0.000 2.187 255 Q HA 0.087 4.428 4.340 0.001 0.000 0.199 255 Q C 2.559 178.595 176.000 0.060 0.000 0.957 255 Q CA 0.762 56.542 55.803 -0.038 0.000 0.857 255 Q CB -0.028 28.665 28.738 -0.074 0.000 0.929 255 Q HN 0.269 nan 8.270 nan 0.000 0.453 256 L N 0.347 121.608 121.223 0.063 0.000 2.046 256 L HA -0.202 4.138 4.340 0.001 0.000 0.208 256 L C 2.363 179.081 176.870 -0.253 0.000 1.077 256 L CA 0.609 55.491 54.840 0.069 0.000 0.747 256 L CB -0.463 41.720 42.059 0.207 0.000 0.896 256 L HN 0.272 nan 8.230 nan 0.000 0.432 257 L N 0.375 121.210 121.223 -0.647 0.000 2.042 257 L HA -0.187 4.154 4.340 0.001 0.000 0.210 257 L C 2.631 179.192 176.870 -0.515 0.000 1.076 257 L CA 2.063 56.221 54.840 -1.138 0.000 0.749 257 L CB -0.678 40.945 42.059 -0.727 0.000 0.893 257 L HN 0.148 nan 8.230 nan 0.000 0.432 258 A N -1.137 121.514 122.820 -0.282 0.000 1.902 258 A HA -0.143 4.178 4.320 0.001 0.000 0.217 258 A C 2.264 179.777 177.584 -0.118 0.000 1.181 258 A CA 2.022 53.954 52.037 -0.175 0.000 0.623 258 A CB -1.128 17.806 19.000 -0.110 0.000 0.818 258 A HN 0.323 nan 8.150 nan 0.000 0.443 259 V N -0.087 119.795 119.914 -0.053 0.000 2.295 259 V HA -0.174 3.947 4.120 0.001 0.000 0.246 259 V C 2.839 178.929 176.094 -0.007 0.000 1.049 259 V CA 1.955 64.255 62.300 0.001 0.000 1.024 259 V CB -1.474 30.377 31.823 0.046 0.000 0.648 259 V HN 0.614 nan 8.190 nan 0.000 0.447 260 G N -0.226 108.583 108.800 0.015 0.000 2.446 260 G HA2 -0.266 3.695 3.960 0.001 0.000 0.217 260 G HA3 -0.266 3.695 3.960 0.001 0.000 0.217 260 G C 1.751 176.683 174.900 0.054 0.000 1.168 260 G CA 0.836 46.015 45.100 0.133 0.000 0.771 260 G HN 0.436 nan 8.290 nan 0.000 0.551 261 R N 0.150 120.593 120.500 -0.095 0.000 2.096 261 R HA -0.036 4.305 4.340 0.001 0.000 0.235 261 R C 2.223 178.459 176.300 -0.107 0.000 1.127 261 R CA 1.317 57.253 56.100 -0.274 0.000 0.968 261 R CB -0.228 29.633 30.300 -0.733 0.000 0.861 261 R HN 0.243 nan 8.270 nan 0.000 0.440 262 D N 0.095 120.448 120.400 -0.078 0.000 2.097 262 D HA -0.118 4.523 4.640 0.001 0.000 0.195 262 D C 1.937 178.240 176.300 0.004 0.000 0.989 262 D CA 1.074 55.059 54.000 -0.024 0.000 0.827 262 D CB -0.157 40.627 40.800 -0.027 0.000 0.966 262 D HN -0.004 nan 8.370 nan 0.000 0.456 263 V N 1.179 121.094 119.914 0.003 0.000 2.427 263 V HA -0.198 3.922 4.120 0.001 0.000 0.248 263 V C 2.229 178.326 176.094 0.006 0.000 1.051 263 V CA 1.469 63.769 62.300 0.000 0.000 1.048 263 V CB -0.445 31.373 31.823 -0.009 0.000 0.666 263 V HN 0.200 nan 8.190 nan 0.000 0.456 264 E N -0.611 119.612 120.200 0.038 0.000 2.077 264 E HA -0.237 4.113 4.350 0.001 0.000 0.193 264 E C 2.317 178.942 176.600 0.042 0.000 0.989 264 E CA 1.796 58.227 56.400 0.051 0.000 0.800 264 E CB -0.340 29.447 29.700 0.144 0.000 0.746 264 E HN 0.615 nan 8.360 nan 0.000 0.452 265 C N 1.082 120.431 119.300 0.082 0.000 2.413 265 C HA -0.173 4.288 4.460 0.001 0.000 0.277 265 C C 2.774 177.769 174.990 0.008 0.000 1.228 265 C CA 1.014 60.060 59.018 0.047 0.000 1.731 265 C CB -1.118 26.657 27.740 0.060 0.000 2.042 265 C HN 0.523 nan 8.230 nan 0.000 0.468 266 I N -0.235 120.338 120.570 0.005 0.000 2.353 266 I HA -0.110 4.061 4.170 0.001 0.000 0.248 266 I C 2.197 178.302 176.117 -0.020 0.000 1.119 266 I CA 1.875 63.173 61.300 -0.004 0.000 1.417 266 I CB -1.362 36.637 38.000 -0.002 0.000 1.078 266 I HN 0.197 nan 8.210 nan 0.000 0.421 267 T N 2.149 116.685 114.554 -0.031 0.000 2.708 267 T HA -0.127 4.224 4.350 0.001 0.000 0.266 267 T C 1.902 176.559 174.700 -0.072 0.000 1.037 267 T CA 1.853 63.920 62.100 -0.055 0.000 1.146 267 T CB -0.393 68.433 68.868 -0.069 0.000 0.865 267 T HN 0.295 nan 8.240 nan 0.000 0.435 268 L N 1.482 122.661 121.223 -0.073 0.000 2.017 268 L HA 0.061 4.402 4.340 0.001 0.000 0.208 268 L C 2.626 179.449 176.870 -0.079 0.000 1.073 268 L CA 1.910 56.692 54.840 -0.096 0.000 0.745 268 L CB -1.101 40.899 42.059 -0.098 0.000 0.894 268 L HN 0.233 nan 8.230 nan 0.000 0.432 269 A N -0.513 122.279 122.820 -0.047 0.000 1.902 269 A HA -0.227 4.094 4.320 0.001 0.000 0.217 269 A C 2.415 179.985 177.584 -0.022 0.000 1.181 269 A CA 1.813 53.835 52.037 -0.025 0.000 0.623 269 A CB -0.550 18.452 19.000 0.003 0.000 0.818 269 A HN 0.504 nan 8.150 nan 0.000 0.443 270 R N -0.602 119.882 120.500 -0.027 0.000 2.081 270 R HA -0.104 4.237 4.340 0.001 0.000 0.235 270 R C 2.498 178.777 176.300 -0.035 0.000 1.131 270 R CA 1.263 57.349 56.100 -0.024 0.000 0.960 270 R CB -0.475 29.809 30.300 -0.027 0.000 0.856 270 R HN 0.524 nan 8.270 nan 0.000 0.436 271 A N 0.594 123.373 122.820 -0.068 0.000 1.902 271 A HA -0.105 4.216 4.320 0.001 0.000 0.217 271 A C 2.356 179.904 177.584 -0.061 0.000 1.181 271 A CA 1.332 53.309 52.037 -0.100 0.000 0.623 271 A CB -0.501 18.395 19.000 -0.174 0.000 0.818 271 A HN 0.118 nan 8.150 nan 0.000 0.443 272 V N 0.181 120.057 119.914 -0.063 0.000 2.358 272 V HA -0.250 3.871 4.120 0.001 0.000 0.246 272 V C 2.533 178.653 176.094 0.043 0.000 1.047 272 V CA 2.352 64.632 62.300 -0.034 0.000 1.035 272 V CB -0.620 31.164 31.823 -0.066 0.000 0.658 272 V HN 0.670 nan 8.190 nan 0.000 0.452 273 K N 0.228 120.642 120.400 0.024 0.000 2.057 273 K HA -0.166 4.155 4.320 0.001 0.000 0.207 273 K C 2.196 178.821 176.600 0.043 0.000 1.049 273 K CA 1.531 57.839 56.287 0.035 0.000 0.931 273 K CB -0.323 32.190 32.500 0.022 0.000 0.714 273 K HN 0.426 nan 8.250 nan 0.000 0.440 274 A N 0.503 123.344 122.820 0.034 0.000 1.933 274 A HA -0.160 4.161 4.320 0.001 0.000 0.218 274 A C 1.970 179.569 177.584 0.026 0.000 1.175 274 A CA 1.241 53.291 52.037 0.021 0.000 0.628 274 A CB -0.725 18.276 19.000 0.003 0.000 0.814 274 A HN 0.502 nan 8.150 nan 0.000 0.444 275 F N 1.386 121.297 119.950 -0.064 0.000 2.113 275 F HA -0.116 4.411 4.527 0.001 0.000 0.297 275 F C 2.027 177.785 175.800 -0.070 0.000 1.103 275 F CA 1.789 59.761 58.000 -0.046 0.000 1.248 275 F CB -0.170 38.820 39.000 -0.016 0.000 0.999 275 F HN 0.335 nan 8.300 nan 0.000 0.475 276 I N -2.092 118.611 120.570 0.223 0.000 2.761 276 I HA -0.056 4.115 4.170 0.001 0.000 0.261 276 I C 1.186 177.279 176.117 -0.040 0.000 1.198 276 I CA 1.272 62.637 61.300 0.107 0.000 1.482 276 I CB -0.701 37.369 38.000 0.117 0.000 1.100 276 I HN 0.157 nan 8.210 nan 0.000 0.445 277 E N 1.444 121.621 120.200 -0.038 0.000 2.465 277 E HA 0.085 4.436 4.350 0.001 0.000 0.191 277 E C -0.287 176.261 176.600 -0.087 0.000 1.053 277 E CA -0.280 56.092 56.400 -0.048 0.000 0.869 277 E CB 0.195 29.892 29.700 -0.004 0.000 0.977 277 E HN 0.307 nan 8.360 nan 0.000 0.483 278 R N 0.212 120.592 120.500 -0.200 0.000 3.336 278 R HA -0.208 4.133 4.340 0.001 0.000 0.260 278 R C 0.107 176.269 176.300 -0.231 0.000 1.032 278 R CA 0.490 56.421 56.100 -0.281 0.000 0.693 278 R CB -2.495 27.698 30.300 -0.179 0.000 1.134 278 R HN 0.326 nan 8.270 nan 0.000 0.433 279 R N -0.532 119.850 120.500 -0.197 0.000 2.508 279 R HA 0.227 4.568 4.340 0.001 0.000 0.300 279 R C 0.076 176.250 176.300 -0.211 0.000 0.970 279 R CA 0.044 56.094 56.100 -0.083 0.000 1.102 279 R CB 1.125 31.463 30.300 0.063 0.000 1.246 279 R HN -0.042 nan 8.270 nan 0.000 0.539 280 V N 1.587 121.290 119.914 -0.353 0.000 2.448 280 V HA 0.448 4.569 4.120 0.001 0.000 0.295 280 V C -0.757 175.126 176.094 -0.353 0.000 1.025 280 V CA -0.688 61.492 62.300 -0.199 0.000 0.859 280 V CB 1.287 33.132 31.823 0.037 0.000 0.988 280 V HN -0.036 nan 8.190 nan 0.000 0.431 281 F N 3.561 123.439 119.950 -0.119 0.000 2.532 281 F HA 0.579 5.107 4.527 0.001 0.000 0.321 281 F C -0.084 175.740 175.800 0.039 0.000 1.089 281 F CA -1.082 56.903 58.000 -0.026 0.000 0.926 281 F CB 1.489 40.487 39.000 -0.005 0.000 1.168 281 F HN 0.134 nan 8.300 nan 0.000 0.459 282 L N 2.512 123.897 121.223 0.269 0.000 2.380 282 L HA 0.217 4.558 4.340 0.001 0.000 0.273 282 L C -0.090 176.975 176.870 0.325 0.000 1.138 282 L CA 0.131 55.095 54.840 0.207 0.000 0.832 282 L CB 0.767 42.870 42.059 0.073 0.000 1.124 282 L HN 0.684 nan 8.230 nan 0.000 0.454 283 N N 1.850 120.704 118.700 0.256 0.000 2.752 283 N HA 0.376 5.117 4.740 0.001 0.000 0.260 283 N C 0.301 175.939 175.510 0.213 0.000 1.562 283 N CA 0.603 53.849 53.050 0.327 0.000 0.788 283 N CB 0.715 39.359 38.487 0.261 0.000 1.192 283 N HN 0.864 nan 8.380 nan 0.000 0.503 284 G N 1.991 110.897 108.800 0.177 0.000 2.543 284 G HA2 -0.322 3.639 3.960 0.001 0.000 0.286 284 G HA3 -0.322 3.639 3.960 0.001 0.000 0.286 284 G C 0.114 175.082 174.900 0.113 0.000 1.153 284 G CA 0.479 45.655 45.100 0.127 0.000 0.968 284 G HN 0.462 nan 8.290 nan 0.000 0.544 285 D N 2.279 122.741 120.400 0.103 0.000 2.328 285 D HA 0.203 4.844 4.640 0.001 0.000 0.221 285 D C 1.520 177.883 176.300 0.106 0.000 1.072 285 D CA 0.903 54.961 54.000 0.097 0.000 0.850 285 D CB 0.134 40.979 40.800 0.075 0.000 0.922 285 D HN 0.777 nan 8.370 nan 0.000 0.516 286 R N -0.577 119.991 120.500 0.115 0.000 2.950 286 R HA 0.677 5.018 4.340 0.001 0.000 0.253 286 R C -0.326 176.046 176.300 0.119 0.000 1.168 286 R CA -0.766 55.398 56.100 0.105 0.000 1.014 286 R CB 0.734 31.081 30.300 0.079 0.000 1.228 286 R HN -0.104 nan 8.270 nan 0.000 0.487 287 T N -1.946 112.660 114.554 0.086 0.000 2.908 287 T HA 0.538 4.889 4.350 0.001 0.000 0.290 287 T C -0.462 174.198 174.700 -0.067 0.000 1.034 287 T CA -0.812 61.332 62.100 0.073 0.000 1.010 287 T CB 1.831 70.782 68.868 0.139 0.000 1.068 287 T HN 0.280 nan 8.240 nan 0.000 0.481 288 V N 2.279 122.092 119.914 -0.168 0.000 2.394 288 V HA 0.562 4.683 4.120 0.001 0.000 0.282 288 V C -0.435 175.519 176.094 -0.233 0.000 1.031 288 V CA -0.629 61.450 62.300 -0.369 0.000 0.881 288 V CB 1.412 32.723 31.823 -0.852 0.000 0.982 288 V HN 0.862 nan 8.190 nan 0.000 0.451 289 V N 5.749 125.544 119.914 -0.199 0.000 2.409 289 V HA 0.469 4.590 4.120 0.001 0.000 0.290 289 V C -0.603 175.519 176.094 0.047 0.000 1.017 289 V CA -0.581 61.665 62.300 -0.090 0.000 0.841 289 V CB 1.335 33.133 31.823 -0.041 0.000 1.003 289 V HN 0.593 nan 8.190 nan 0.000 0.426 290 F N 1.740 121.720 119.950 0.050 0.000 2.384 290 F HA 0.443 4.971 4.527 0.001 0.000 0.338 290 F C 0.881 176.692 175.800 0.018 0.000 1.103 290 F CA -0.459 57.560 58.000 0.032 0.000 1.157 290 F CB 1.079 40.143 39.000 0.107 0.000 1.167 290 F HN 0.413 nan 8.300 nan 0.000 0.529 291 Q N 0.000 119.917 119.800 0.195 0.000 2.315 291 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 291 Q CA 0.000 55.864 55.803 0.102 0.000 1.022 291 Q CB 0.000 28.769 28.738 0.052 0.000 1.108 291 Q HN 0.000 nan 8.270 nan 0.000 0.481