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 3e5k_1_A DATA FIRST_RESID 9 DATA SEQUENCE PTVPKARSCP FLPPDGIADI RAAAPVTRAT FTSGHEAWLV TGYEEVRALL DATA SEQUENCE RDSSFSVQVP HXXXXXXXXX XXKPGRGSLL WQDEPEHTSD RKLLAKEFTV DATA SEQUENCE RRMQALRPNI QRIVDEHLDA IEARGGPVDL VKTFANAVPS MVISDLFGVP DATA SEQUENCE VERRAEFQDI AEAMMRVDQD AAATEAAGMR LGGLLYQLVQ ERRANPGDDL DATA SEQUENCE ISALITTEDP DGVVDDMFLM NAAGTLLIAA HDTTACMIGL GTALLLDSPD DATA SEQUENCE QLALLREDPS LVGNAVEELL RYLTIGQFGG ERVATRDVEL GGVRIAKGEQ DATA SEQUENCE VVAHVLAADF DPAFVEEPER FDITRRPAPH LAFGFGAHQC IGQQLARIEL DATA SEQUENCE QIVFETLFRR LPGLRLAKPV EELRFRHDIV FYGVHELPVT WHH 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 9 P HA 0.000 nan 4.420 nan 0.000 0.216 9 P C 0.000 177.208 177.300 -0.153 0.000 1.155 9 P CA 0.000 63.034 63.100 -0.110 0.000 0.800 9 P CB 0.000 31.642 31.700 -0.096 0.000 0.726 10 T N 0.141 114.606 114.554 -0.148 0.000 2.856 10 T HA 0.437 4.788 4.350 0.001 0.000 0.292 10 T C 0.642 175.206 174.700 -0.226 0.000 0.980 10 T CA -0.743 61.242 62.100 -0.192 0.000 1.091 10 T CB 1.542 70.331 68.868 -0.132 0.000 0.936 10 T HN 0.459 nan 8.240 nan 0.000 0.503 11 V N 2.005 121.713 119.914 -0.343 0.000 2.585 11 V HA 0.343 4.464 4.120 0.001 0.000 0.296 11 V C -2.569 173.411 176.094 -0.190 0.000 1.035 11 V CA -1.732 60.382 62.300 -0.309 0.000 1.084 11 V CB -0.229 31.331 31.823 -0.439 0.000 0.953 11 V HN 0.622 nan 8.190 nan 0.000 0.483 12 P HA 0.369 nan 4.420 nan 0.000 0.271 12 P C -0.238 176.999 177.300 -0.105 0.000 1.220 12 P CA -0.114 62.913 63.100 -0.123 0.000 0.768 12 P CB 0.760 32.381 31.700 -0.132 0.000 0.848 13 K N 1.252 121.603 120.400 -0.082 0.000 2.502 13 K HA 0.280 4.600 4.320 0.001 0.000 0.211 13 K C 0.470 177.021 176.600 -0.082 0.000 1.259 13 K CA -0.136 56.113 56.287 -0.063 0.000 0.983 13 K CB 0.793 33.277 32.500 -0.026 0.000 1.054 13 K HN 0.459 nan 8.250 nan 0.000 0.572 14 A N 1.902 124.674 122.820 -0.079 0.000 2.440 14 A HA 0.309 4.629 4.320 0.001 0.000 0.251 14 A C -0.482 177.035 177.584 -0.112 0.000 1.089 14 A CA 0.097 52.090 52.037 -0.074 0.000 0.779 14 A CB 0.204 19.169 19.000 -0.057 0.000 1.022 14 A HN 0.188 nan 8.150 nan 0.000 0.492 15 R N 1.806 122.235 120.500 -0.117 0.000 2.360 15 R HA 0.278 4.619 4.340 0.001 0.000 0.318 15 R C 0.965 177.193 176.300 -0.119 0.000 0.950 15 R CA 0.271 56.273 56.100 -0.164 0.000 0.837 15 R CB 1.533 31.671 30.300 -0.271 0.000 1.165 15 R HN 0.914 nan 8.270 nan 0.000 0.458 16 S N 0.622 116.259 115.700 -0.105 0.000 2.489 16 S HA -0.006 4.464 4.470 0.001 0.000 0.228 16 S C 0.602 175.152 174.600 -0.085 0.000 0.995 16 S CA -0.080 58.074 58.200 -0.076 0.000 0.934 16 S CB 0.160 63.328 63.200 -0.053 0.000 0.771 16 S HN 0.521 nan 8.310 nan 0.000 0.522 17 C N 2.999 122.227 119.300 -0.119 0.000 2.340 17 C HA 0.574 5.034 4.460 0.001 0.000 0.323 17 C C -1.557 173.279 174.990 -0.258 0.000 1.260 17 C CA -1.496 57.448 59.018 -0.124 0.000 1.464 17 C CB 1.527 29.252 27.740 -0.025 0.000 2.156 17 C HN 0.275 nan 8.230 nan 0.000 0.476 18 P HA -0.051 nan 4.420 nan 0.000 0.223 18 P C 0.834 177.735 177.300 -0.665 0.000 1.151 18 P CA 1.226 63.876 63.100 -0.749 0.000 0.787 18 P CB 0.001 30.747 31.700 -1.591 0.000 0.788 19 F N -0.962 118.889 119.950 -0.166 0.000 2.811 19 F HA 0.158 4.685 4.527 0.001 0.000 0.301 19 F C 1.375 177.144 175.800 -0.051 0.000 1.151 19 F CA 0.281 58.284 58.000 0.005 0.000 1.412 19 F CB -0.617 38.459 39.000 0.127 0.000 1.113 19 F HN -0.187 nan 8.300 nan 0.000 0.579 20 L N -0.410 120.764 121.223 -0.082 0.000 2.319 20 L HA 0.487 4.827 4.340 0.001 0.000 0.267 20 L C -2.201 174.419 176.870 -0.417 0.000 1.011 20 L CA -2.393 52.291 54.840 -0.260 0.000 0.818 20 L CB 1.544 43.500 42.059 -0.171 0.000 1.316 20 L HN -0.330 nan 8.230 nan 0.000 0.432 21 P HA 0.060 nan 4.420 nan 0.000 0.270 21 P C -2.547 174.538 177.300 -0.359 0.000 1.221 21 P CA -0.768 62.016 63.100 -0.527 0.000 0.788 21 P CB -0.356 30.925 31.700 -0.697 0.000 0.904 22 P HA -0.019 nan 4.420 nan 0.000 0.266 22 P C 0.081 177.266 177.300 -0.191 0.000 1.195 22 P CA 0.435 63.404 63.100 -0.217 0.000 0.768 22 P CB 0.192 31.787 31.700 -0.176 0.000 0.838 23 D N 2.289 122.597 120.400 -0.153 0.000 2.158 23 D HA -0.158 4.483 4.640 0.001 0.000 0.197 23 D C 2.170 178.403 176.300 -0.112 0.000 0.995 23 D CA 1.931 55.858 54.000 -0.122 0.000 0.846 23 D CB -1.079 39.666 40.800 -0.092 0.000 0.941 23 D HN 0.530 nan 8.370 nan 0.000 0.456 24 G N 0.622 109.353 108.800 -0.115 0.000 2.443 24 G HA2 -0.166 3.795 3.960 0.001 0.000 0.219 24 G HA3 -0.166 3.795 3.960 0.001 0.000 0.219 24 G C 1.525 176.353 174.900 -0.120 0.000 1.131 24 G CA 0.096 45.132 45.100 -0.107 0.000 0.775 24 G HN 0.169 nan 8.290 nan 0.000 0.547 25 I N 1.776 122.252 120.570 -0.157 0.000 2.264 25 I HA -0.206 3.965 4.170 0.001 0.000 0.248 25 I C 3.202 179.242 176.117 -0.129 0.000 1.111 25 I CA 1.319 62.506 61.300 -0.188 0.000 1.382 25 I CB -0.976 36.868 38.000 -0.259 0.000 1.060 25 I HN 0.279 nan 8.210 nan 0.000 0.418 26 A N 0.322 123.082 122.820 -0.101 0.000 1.978 26 A HA -0.223 4.097 4.320 0.001 0.000 0.220 26 A C 1.978 179.538 177.584 -0.041 0.000 1.170 26 A CA 1.882 53.887 52.037 -0.053 0.000 0.636 26 A CB -0.456 18.524 19.000 -0.033 0.000 0.810 26 A HN 0.381 nan 8.150 nan 0.000 0.448 27 D N -0.259 120.111 120.400 -0.051 0.000 2.162 27 D HA -0.017 4.623 4.640 0.001 0.000 0.203 27 D C 1.943 178.222 176.300 -0.034 0.000 0.967 27 D CA 0.765 54.743 54.000 -0.036 0.000 0.840 27 D CB -0.215 40.563 40.800 -0.037 0.000 0.972 27 D HN 0.506 nan 8.370 nan 0.000 0.482 28 I N 0.979 121.518 120.570 -0.051 0.000 2.127 28 I HA -0.269 3.901 4.170 0.001 0.000 0.241 28 I C 2.689 178.790 176.117 -0.027 0.000 1.075 28 I CA 1.040 62.312 61.300 -0.047 0.000 1.334 28 I CB -0.248 37.704 38.000 -0.080 0.000 1.040 28 I HN -0.077 nan 8.210 nan 0.000 0.405 29 R N 1.194 121.674 120.500 -0.033 0.000 2.120 29 R HA -0.174 4.166 4.340 0.001 0.000 0.234 29 R C 2.247 178.552 176.300 0.010 0.000 1.123 29 R CA 1.557 57.653 56.100 -0.007 0.000 0.975 29 R CB -0.161 30.137 30.300 -0.004 0.000 0.866 29 R HN 0.388 nan 8.270 nan 0.000 0.446 30 A N 0.400 123.223 122.820 0.005 0.000 1.930 30 A HA 0.053 4.373 4.320 0.001 0.000 0.215 30 A C 2.262 179.854 177.584 0.012 0.000 1.176 30 A CA 1.193 53.238 52.037 0.012 0.000 0.632 30 A CB -0.471 18.533 19.000 0.008 0.000 0.819 30 A HN 0.502 nan 8.150 nan 0.000 0.445 31 A N -0.568 122.256 122.820 0.007 0.000 1.855 31 A HA 0.458 4.778 4.320 0.001 0.000 0.215 31 A C 1.291 178.888 177.584 0.022 0.000 1.191 31 A CA 1.654 53.698 52.037 0.011 0.000 0.613 31 A CB -0.458 18.545 19.000 0.005 0.000 0.829 31 A HN 1.501 nan 8.150 nan 0.000 0.442 32 A N -1.596 121.239 122.820 0.025 0.000 2.768 32 A HA 0.593 4.914 4.320 0.001 0.000 0.298 32 A C -2.214 175.398 177.584 0.047 0.000 1.159 32 A CA -0.801 51.262 52.037 0.044 0.000 0.783 32 A CB 0.495 19.535 19.000 0.066 0.000 1.333 32 A HN 0.055 nan 8.150 nan 0.000 0.412 33 P HA -0.057 nan 4.420 nan 0.000 0.221 33 P C 0.218 177.545 177.300 0.045 0.000 1.145 33 P CA 1.298 64.418 63.100 0.033 0.000 0.795 33 P CB 0.212 31.928 31.700 0.027 0.000 0.775 34 V N -1.286 118.664 119.914 0.061 0.000 2.483 34 V HA 0.559 4.679 4.120 0.001 0.000 0.297 34 V C -0.085 176.147 176.094 0.230 0.000 1.027 34 V CA -0.208 62.148 62.300 0.094 0.000 0.855 34 V CB 1.890 33.696 31.823 -0.030 0.000 0.995 34 V HN -0.117 nan 8.190 nan 0.000 0.424 35 T N 3.879 118.671 114.554 0.397 0.000 2.775 35 T HA 0.367 4.718 4.350 0.001 0.000 0.320 35 T C -1.222 173.645 174.700 0.279 0.000 1.597 35 T CA -0.725 61.605 62.100 0.383 0.000 1.022 35 T CB 1.746 70.713 68.868 0.165 0.000 1.485 35 T HN 0.533 nan 8.240 nan 0.000 0.494 36 R N 1.343 121.858 120.500 0.025 0.000 2.390 36 R HA 0.754 5.094 4.340 0.001 0.000 0.291 36 R C -0.291 175.939 176.300 -0.116 0.000 1.070 36 R CA -0.107 55.847 56.100 -0.244 0.000 1.014 36 R CB 1.037 31.094 30.300 -0.405 0.000 1.007 36 R HN 0.762 nan 8.270 nan 0.000 0.466 37 A N 1.657 124.426 122.820 -0.085 0.000 2.588 37 A HA 0.527 4.848 4.320 0.001 0.000 0.290 37 A C -1.030 176.465 177.584 -0.149 0.000 1.136 37 A CA -0.653 51.294 52.037 -0.149 0.000 0.681 37 A CB 1.695 20.551 19.000 -0.239 0.000 1.282 37 A HN 0.513 nan 8.150 nan 0.000 0.421 38 T N 1.248 115.655 114.554 -0.246 0.000 2.767 38 T HA 0.597 4.947 4.350 0.001 0.000 0.284 38 T C -0.342 174.177 174.700 -0.303 0.000 0.973 38 T CA 0.166 62.185 62.100 -0.135 0.000 0.996 38 T CB 0.144 68.950 68.868 -0.103 0.000 0.927 38 T HN 0.344 nan 8.240 nan 0.000 0.456 39 F N 0.990 120.945 119.950 0.008 0.000 2.317 39 F HA 0.283 4.810 4.527 0.001 0.000 0.266 39 F C 2.697 178.512 175.800 0.025 0.000 0.913 39 F CA -0.319 57.694 58.000 0.020 0.000 1.117 39 F CB -0.356 38.661 39.000 0.029 0.000 1.980 39 F HN 0.634 nan 8.300 nan 0.000 0.600 40 T N -1.473 113.269 114.554 0.313 0.000 2.544 40 T HA -0.240 4.110 4.350 0.001 0.000 0.264 40 T C 1.867 176.639 174.700 0.119 0.000 1.096 40 T CA 2.729 64.931 62.100 0.171 0.000 1.181 40 T CB -0.768 68.200 68.868 0.166 0.000 0.864 40 T HN 0.337 nan 8.240 nan 0.000 0.415 41 S N -0.745 115.034 115.700 0.132 0.000 2.593 41 S HA 0.469 4.939 4.470 0.001 0.000 0.235 41 S C 0.975 175.683 174.600 0.180 0.000 1.059 41 S CA 0.323 58.587 58.200 0.106 0.000 0.953 41 S CB -0.288 62.949 63.200 0.062 0.000 0.897 41 S HN 1.102 nan 8.310 nan 0.000 0.507 42 G N 2.740 111.680 108.800 0.233 0.000 2.956 42 G HA2 -0.149 3.811 3.960 0.001 0.000 0.258 42 G HA3 -0.149 3.811 3.960 0.001 0.000 0.258 42 G C -0.426 174.587 174.900 0.188 0.000 0.437 42 G CA 0.841 46.131 45.100 0.316 0.000 1.163 42 G HN 0.675 nan 8.290 nan 0.000 0.231 43 H N -0.051 119.045 119.070 0.043 0.000 3.852 43 H HA -0.129 4.428 4.556 0.001 0.000 0.267 43 H C 0.145 175.564 175.328 0.151 0.000 0.661 43 H CA 1.429 57.512 56.048 0.058 0.000 0.773 43 H CB -0.229 29.558 29.762 0.041 0.000 1.294 43 H HN 0.818 nan 8.280 nan 0.000 0.301 44 E N 0.728 121.092 120.200 0.273 0.000 2.430 44 E HA 0.351 4.702 4.350 0.001 0.000 0.291 44 E C -1.246 175.398 176.600 0.074 0.000 1.100 44 E CA 0.368 56.846 56.400 0.130 0.000 0.610 44 E CB 0.130 29.824 29.700 -0.010 0.000 1.222 44 E HN 0.700 nan 8.360 nan 0.000 0.407 45 A N 0.986 123.914 122.820 0.179 0.000 2.443 45 A HA 0.787 5.107 4.320 0.001 0.000 0.278 45 A C -1.219 176.395 177.584 0.049 0.000 1.252 45 A CA -0.706 51.362 52.037 0.052 0.000 0.816 45 A CB 0.699 19.705 19.000 0.011 0.000 1.369 45 A HN 0.299 nan 8.150 nan 0.000 0.446 46 W N -0.145 121.234 121.300 0.132 0.000 2.253 46 W HA 0.440 5.101 4.660 0.001 0.000 0.322 46 W C -0.053 176.561 176.519 0.158 0.000 1.342 46 W CA 0.275 57.689 57.345 0.116 0.000 1.218 46 W CB 0.681 30.182 29.460 0.068 0.000 1.205 46 W HN 0.425 nan 8.180 nan 0.000 0.551 47 L N 5.599 127.068 121.223 0.410 0.000 2.275 47 L HA 0.525 4.865 4.340 0.001 0.000 0.288 47 L C -0.619 176.384 176.870 0.222 0.000 1.046 47 L CA -0.648 54.388 54.840 0.326 0.000 0.805 47 L CB 0.969 43.150 42.059 0.204 0.000 1.193 47 L HN 0.154 nan 8.230 nan 0.000 0.426 48 V N 4.323 124.334 119.914 0.161 0.000 2.384 48 V HA 0.408 4.528 4.120 0.001 0.000 0.287 48 V C 0.755 176.895 176.094 0.076 0.000 1.020 48 V CA 0.132 62.481 62.300 0.083 0.000 0.850 48 V CB 1.148 32.978 31.823 0.012 0.000 0.987 48 V HN 0.907 nan 8.190 nan 0.000 0.436 49 T N 0.136 114.717 114.554 0.046 0.000 3.040 49 T HA 0.304 4.654 4.350 0.001 0.000 0.266 49 T C 0.704 175.431 174.700 0.045 0.000 1.005 49 T CA 0.362 62.480 62.100 0.031 0.000 0.906 49 T CB 0.538 69.381 68.868 -0.042 0.000 1.082 49 T HN 0.760 nan 8.240 nan 0.000 0.531 50 G N -0.153 108.670 108.800 0.037 0.000 2.410 50 G HA2 0.470 4.430 3.960 0.001 0.000 0.330 50 G HA3 0.470 4.430 3.960 0.001 0.000 0.330 50 G C -0.021 174.909 174.900 0.049 0.000 1.142 50 G CA -0.841 44.296 45.100 0.061 0.000 0.902 50 G HN 0.156 nan 8.290 nan 0.000 0.491 51 Y N 0.459 120.733 120.300 -0.044 0.000 2.089 51 Y HA -0.165 4.385 4.550 0.001 0.000 0.282 51 Y C 2.669 178.483 175.900 -0.143 0.000 1.139 51 Y CA 2.497 60.514 58.100 -0.137 0.000 1.123 51 Y CB -0.023 38.333 38.460 -0.175 0.000 0.980 51 Y HN 0.681 nan 8.280 nan 0.000 0.493 52 E N -0.221 119.996 120.200 0.028 0.000 2.114 52 E HA -0.308 4.043 4.350 0.001 0.000 0.199 52 E C 1.876 178.397 176.600 -0.131 0.000 1.008 52 E CA 2.013 58.366 56.400 -0.078 0.000 0.810 52 E CB -0.064 29.659 29.700 0.039 0.000 0.739 52 E HN 0.586 nan 8.360 nan 0.000 0.456 53 E N -0.437 119.713 120.200 -0.082 0.000 2.107 53 E HA -0.098 4.253 4.350 0.001 0.000 0.191 53 E C 1.962 178.489 176.600 -0.122 0.000 0.982 53 E CA 0.477 56.829 56.400 -0.081 0.000 0.809 53 E CB 0.072 29.744 29.700 -0.047 0.000 0.756 53 E HN 0.050 nan 8.360 nan 0.000 0.459 54 V N 0.365 120.181 119.914 -0.163 0.000 2.667 54 V HA -0.141 3.979 4.120 0.001 0.000 0.252 54 V C 2.225 178.209 176.094 -0.183 0.000 1.065 54 V CA 1.370 63.576 62.300 -0.156 0.000 1.083 54 V CB -0.245 31.489 31.823 -0.147 0.000 0.692 54 V HN 0.106 nan 8.190 nan 0.000 0.468 55 R N 0.236 120.549 120.500 -0.312 0.000 2.073 55 R HA -0.060 4.280 4.340 0.001 0.000 0.229 55 R C 2.256 178.553 176.300 -0.006 0.000 1.120 55 R CA 1.504 57.423 56.100 -0.303 0.000 0.967 55 R CB -0.399 29.496 30.300 -0.676 0.000 0.862 55 R HN 0.487 nan 8.270 nan 0.000 0.436 56 A N 0.626 123.418 122.820 -0.047 0.000 1.968 56 A HA -0.078 4.242 4.320 0.001 0.000 0.217 56 A C 2.024 179.622 177.584 0.022 0.000 1.169 56 A CA 0.771 52.823 52.037 0.024 0.000 0.638 56 A CB -0.474 18.527 19.000 0.002 0.000 0.812 56 A HN 0.408 nan 8.150 nan 0.000 0.446 57 L N -0.319 120.866 121.223 -0.062 0.000 1.973 57 L HA -0.123 4.217 4.340 0.001 0.000 0.208 57 L C 2.319 179.134 176.870 -0.092 0.000 1.073 57 L CA 1.650 56.385 54.840 -0.176 0.000 0.746 57 L CB -0.396 41.482 42.059 -0.300 0.000 0.891 57 L HN 0.397 nan 8.230 nan 0.000 0.433 58 L N -0.096 121.112 121.223 -0.026 0.000 2.263 58 L HA -0.209 4.131 4.340 0.001 0.000 0.216 58 L C 2.544 179.453 176.870 0.065 0.000 1.111 58 L CA 0.615 55.479 54.840 0.040 0.000 0.773 58 L CB -0.580 41.550 42.059 0.117 0.000 0.906 58 L HN 0.276 nan 8.230 nan 0.000 0.439 59 R N 0.149 120.705 120.500 0.093 0.000 2.246 59 R HA 0.014 4.354 4.340 0.001 0.000 0.199 59 R C 0.301 176.631 176.300 0.050 0.000 0.984 59 R CA 0.381 56.497 56.100 0.026 0.000 1.015 59 R CB -0.385 29.988 30.300 0.123 0.000 0.930 59 R HN 0.168 nan 8.270 nan 0.000 0.475 60 D N -0.266 120.207 120.400 0.123 0.000 2.317 60 D HA 0.022 4.663 4.640 0.001 0.000 0.234 60 D C 0.417 176.827 176.300 0.184 0.000 1.112 60 D CA 0.049 54.146 54.000 0.161 0.000 0.840 60 D CB 1.449 42.410 40.800 0.268 0.000 1.078 60 D HN 0.125 nan 8.370 nan 0.000 0.486 61 S N 1.753 117.508 115.700 0.092 0.000 2.515 61 S HA -0.158 4.313 4.470 0.001 0.000 0.231 61 S C 1.656 176.289 174.600 0.054 0.000 0.987 61 S CA 0.680 58.924 58.200 0.073 0.000 0.936 61 S CB -0.372 62.849 63.200 0.036 0.000 0.766 61 S HN 0.408 nan 8.310 nan 0.000 0.528 62 S N 0.115 115.819 115.700 0.006 0.000 2.660 62 S HA 0.241 4.711 4.470 0.001 0.000 0.228 62 S C -0.016 174.399 174.600 -0.308 0.000 0.966 62 S CA -0.563 57.563 58.200 -0.124 0.000 0.940 62 S CB -0.810 62.284 63.200 -0.176 0.000 0.773 62 S HN 0.419 nan 8.310 nan 0.000 0.535 63 F N 2.149 122.106 119.950 0.011 0.000 2.458 63 F HA 0.630 5.157 4.527 0.001 0.000 0.330 63 F C 0.747 176.563 175.800 0.027 0.000 1.082 63 F CA -0.532 57.477 58.000 0.015 0.000 0.995 63 F CB 1.955 40.962 39.000 0.012 0.000 1.170 63 F HN 0.193 nan 8.300 nan 0.000 0.478 64 S N 1.322 117.164 115.700 0.236 0.000 2.677 64 S HA 0.904 5.374 4.470 0.001 0.000 0.304 64 S C -0.906 173.774 174.600 0.133 0.000 1.108 64 S CA -0.707 57.584 58.200 0.151 0.000 0.944 64 S CB 1.631 64.889 63.200 0.097 0.000 1.127 64 S HN 0.713 nan 8.310 nan 0.000 0.511 65 V N -1.182 118.789 119.914 0.096 0.000 2.994 65 V HA 0.795 4.916 4.120 0.001 0.000 0.318 65 V C -0.724 175.386 176.094 0.028 0.000 1.085 65 V CA -0.645 61.681 62.300 0.043 0.000 0.998 65 V CB 1.165 32.980 31.823 -0.014 0.000 1.063 65 V HN 1.074 nan 8.190 nan 0.000 0.447 66 Q N 0.428 120.203 119.800 -0.043 0.000 2.418 66 Q HA 0.562 4.902 4.340 0.001 0.000 0.282 66 Q C -1.283 174.501 176.000 -0.360 0.000 1.044 66 Q CA -0.787 54.935 55.803 -0.135 0.000 0.813 66 Q CB 2.890 31.557 28.738 -0.118 0.000 1.428 66 Q HN 1.196 nan 8.270 nan 0.000 0.402 67 V N 2.006 121.569 119.914 -0.584 0.000 2.572 67 V HA 0.190 4.311 4.120 0.001 0.000 0.291 67 V C -1.779 173.864 176.094 -0.752 0.000 1.039 67 V CA -0.911 60.692 62.300 -1.162 0.000 1.055 67 V CB 0.780 31.765 31.823 -1.397 0.000 0.969 67 V HN 0.799 nan 8.190 nan 0.000 0.482 68 P HA -0.172 nan 4.420 nan 0.000 0.216 68 P C 0.729 177.784 177.300 -0.408 0.000 1.153 68 P CA 1.223 64.040 63.100 -0.471 0.000 0.858 68 P CB -0.334 31.164 31.700 -0.337 0.000 0.789 82 P HA -0.260 nan 4.420 nan 0.000 0.255 82 P C 0.338 177.709 177.300 0.118 0.000 0.840 82 P CA 1.618 64.821 63.100 0.172 0.000 1.096 82 P CB -0.382 31.399 31.700 0.135 0.000 0.790 83 G N -2.245 106.590 108.800 0.057 0.000 2.990 83 G HA2 0.470 4.430 3.960 0.001 0.000 0.208 83 G HA3 0.470 4.430 3.960 0.001 0.000 0.208 83 G C -0.869 174.019 174.900 -0.022 0.000 1.334 83 G CA -0.774 44.351 45.100 0.041 0.000 1.024 83 G HN 0.359 nan 8.290 nan 0.000 0.574 84 R N -0.266 120.227 120.500 -0.013 0.000 2.523 84 R HA 0.275 4.616 4.340 0.001 0.000 0.281 84 R C 1.093 177.102 176.300 -0.485 0.000 0.969 84 R CA 1.252 57.298 56.100 -0.088 0.000 1.093 84 R CB -0.046 30.316 30.300 0.104 0.000 0.917 84 R HN 1.300 nan 8.270 nan 0.000 0.408 85 G N 1.094 109.442 108.800 -0.754 0.000 2.157 85 G HA2 -0.324 3.636 3.960 0.001 0.000 0.239 85 G HA3 -0.324 3.636 3.960 0.001 0.000 0.239 85 G C 0.693 175.242 174.900 -0.585 0.000 0.982 85 G CA 0.376 44.656 45.100 -1.367 0.000 0.650 85 G HN 0.670 nan 8.290 nan 0.000 0.527 86 S N -1.070 114.439 115.700 -0.319 0.000 2.486 86 S HA 0.403 4.874 4.470 0.001 0.000 0.220 86 S C 1.708 176.230 174.600 -0.130 0.000 1.011 86 S CA 1.270 59.346 58.200 -0.207 0.000 0.921 86 S CB 0.318 63.428 63.200 -0.149 0.000 0.785 86 S HN 1.202 nan 8.310 nan 0.000 0.517 87 L N -1.184 120.028 121.223 -0.019 0.000 2.560 87 L HA -0.223 4.118 4.340 0.001 0.000 0.431 87 L C 1.472 178.468 176.870 0.211 0.000 1.606 87 L CA 1.491 56.441 54.840 0.184 0.000 3.191 87 L CB -1.811 40.311 42.059 0.104 0.000 1.253 87 L HN 0.450 nan 8.230 nan 0.000 0.811 88 L N -0.822 120.342 121.223 -0.099 0.000 2.013 88 L HA -0.159 4.181 4.340 0.001 0.000 0.212 88 L C 1.591 178.218 176.870 -0.405 0.000 1.073 88 L CA 2.449 57.076 54.840 -0.356 0.000 0.753 88 L CB -0.506 41.044 42.059 -0.849 0.000 0.890 88 L HN 0.512 nan 8.230 nan 0.000 0.432 89 W N 0.395 121.699 121.300 0.007 0.000 2.926 89 W HA 0.357 5.017 4.660 0.001 0.000 0.419 89 W C 0.145 176.682 176.519 0.030 0.000 0.993 89 W CA -0.699 56.616 57.345 -0.050 0.000 2.025 89 W CB -0.943 28.484 29.460 -0.054 0.000 1.152 89 W HN 0.254 nan 8.180 nan 0.000 0.659 90 Q N 0.925 120.893 119.800 0.280 0.000 2.293 90 Q HA 0.119 4.459 4.340 0.001 0.000 0.251 90 Q C 0.052 176.211 176.000 0.265 0.000 0.930 90 Q CA -0.112 55.848 55.803 0.261 0.000 0.893 90 Q CB 1.460 30.367 28.738 0.282 0.000 1.215 90 Q HN -0.108 nan 8.270 nan 0.000 0.425 91 D N 1.975 122.494 120.400 0.199 0.000 2.383 91 D HA 0.030 4.670 4.640 0.001 0.000 0.248 91 D C 0.105 176.514 176.300 0.181 0.000 1.170 91 D CA -0.211 53.891 54.000 0.169 0.000 0.977 91 D CB 0.732 41.603 40.800 0.119 0.000 1.120 91 D HN 0.427 nan 8.370 nan 0.000 0.481 92 E N 0.806 121.093 120.200 0.145 0.000 2.343 92 E HA 0.172 4.522 4.350 0.001 0.000 0.269 92 E C -2.035 174.617 176.600 0.087 0.000 1.047 92 E CA -1.253 55.221 56.400 0.124 0.000 0.874 92 E CB 1.035 30.797 29.700 0.105 0.000 1.033 92 E HN 0.161 nan 8.360 nan 0.000 0.409 93 P HA 0.067 nan 4.420 nan 0.000 0.234 93 P C 0.498 177.839 177.300 0.069 0.000 1.175 93 P CA 0.540 63.677 63.100 0.062 0.000 0.801 93 P CB 0.433 32.158 31.700 0.042 0.000 0.891 94 E N -0.965 119.288 120.200 0.088 0.000 2.427 94 E HA -0.144 4.206 4.350 0.001 0.000 0.196 94 E C 2.062 178.719 176.600 0.095 0.000 1.028 94 E CA 0.326 56.779 56.400 0.089 0.000 0.864 94 E CB -0.620 29.142 29.700 0.105 0.000 0.813 94 E HN 0.468 nan 8.360 nan 0.000 0.514 95 H N 0.649 119.748 119.070 0.048 0.000 2.357 95 H HA -0.068 4.489 4.556 0.001 0.000 0.301 95 H C 1.354 176.680 175.328 -0.003 0.000 1.082 95 H CA 1.815 57.879 56.048 0.025 0.000 1.342 95 H CB 0.264 30.030 29.762 0.005 0.000 1.389 95 H HN 0.077 nan 8.280 nan 0.000 0.511 96 T N 0.389 114.861 114.554 -0.137 0.000 2.821 96 T HA -0.131 4.220 4.350 0.001 0.000 0.267 96 T C 2.372 176.993 174.700 -0.131 0.000 1.046 96 T CA 1.696 63.685 62.100 -0.184 0.000 1.139 96 T CB -0.291 68.556 68.868 -0.035 0.000 0.871 96 T HN 0.546 nan 8.240 nan 0.000 0.454 97 S N 1.696 117.365 115.700 -0.052 0.000 2.395 97 S HA -0.073 4.398 4.470 0.001 0.000 0.225 97 S C 1.579 176.187 174.600 0.013 0.000 1.027 97 S CA 0.667 58.855 58.200 -0.019 0.000 0.965 97 S CB -0.368 62.834 63.200 0.003 0.000 0.812 97 S HN 0.270 nan 8.310 nan 0.000 0.482 98 D N 1.936 122.369 120.400 0.055 0.000 2.117 98 D HA -0.072 4.569 4.640 0.001 0.000 0.197 98 D C 2.055 178.423 176.300 0.113 0.000 0.987 98 D CA 1.138 55.265 54.000 0.211 0.000 0.829 98 D CB -0.329 40.586 40.800 0.192 0.000 0.961 98 D HN 0.507 nan 8.370 nan 0.000 0.460 99 R N 1.030 121.467 120.500 -0.105 0.000 2.075 99 R HA -0.093 4.247 4.340 0.001 0.000 0.232 99 R C 2.076 178.356 176.300 -0.033 0.000 1.126 99 R CA 1.355 57.379 56.100 -0.126 0.000 0.963 99 R CB -0.006 30.095 30.300 -0.331 0.000 0.858 99 R HN 0.036 nan 8.270 nan 0.000 0.435 100 K N 0.598 120.967 120.400 -0.050 0.000 2.097 100 K HA -0.144 4.176 4.320 0.001 0.000 0.206 100 K C 1.992 178.597 176.600 0.008 0.000 1.049 100 K CA 1.458 57.732 56.287 -0.023 0.000 0.933 100 K CB -0.123 32.355 32.500 -0.037 0.000 0.717 100 K HN 0.233 nan 8.250 nan 0.000 0.442 101 L N 1.043 122.281 121.223 0.025 0.000 1.989 101 L HA -0.215 4.125 4.340 0.001 0.000 0.211 101 L C 2.604 179.519 176.870 0.076 0.000 1.071 101 L CA 1.203 56.053 54.840 0.016 0.000 0.749 101 L CB -0.547 41.472 42.059 -0.066 0.000 0.890 101 L HN 0.285 nan 8.230 nan 0.000 0.431 102 L N -0.167 121.160 121.223 0.175 0.000 2.042 102 L HA -0.214 4.126 4.340 0.001 0.000 0.210 102 L C 2.593 179.572 176.870 0.182 0.000 1.076 102 L CA 1.555 56.513 54.840 0.197 0.000 0.749 102 L CB -0.379 41.784 42.059 0.173 0.000 0.893 102 L HN 0.310 nan 8.230 nan 0.000 0.432 103 A N -0.374 122.527 122.820 0.134 0.000 2.216 103 A HA -0.224 4.097 4.320 0.001 0.000 0.214 103 A C 2.113 179.742 177.584 0.075 0.000 1.160 103 A CA 1.528 53.639 52.037 0.122 0.000 0.725 103 A CB -0.314 18.720 19.000 0.057 0.000 0.784 103 A HN 0.439 nan 8.150 nan 0.000 0.472 104 K N -0.569 119.872 120.400 0.068 0.000 2.305 104 K HA 0.007 4.327 4.320 0.001 0.000 0.199 104 K C 1.221 177.845 176.600 0.040 0.000 1.047 104 K CA 1.277 57.584 56.287 0.032 0.000 0.976 104 K CB 0.173 32.680 32.500 0.012 0.000 0.765 104 K HN 0.263 nan 8.250 nan 0.000 0.474 105 E N -0.759 119.491 120.200 0.085 0.000 2.421 105 E HA 0.064 4.414 4.350 0.001 0.000 0.209 105 E C -0.556 176.136 176.600 0.153 0.000 0.871 105 E CA -0.009 56.445 56.400 0.090 0.000 1.064 105 E CB 0.219 29.976 29.700 0.095 0.000 1.075 105 E HN 0.238 nan 8.360 nan 0.000 0.513 106 F N 3.660 123.624 119.950 0.024 0.000 2.499 106 F HA 0.166 4.693 4.527 0.001 0.000 0.353 106 F C 0.207 176.013 175.800 0.011 0.000 1.196 106 F CA -0.261 57.756 58.000 0.029 0.000 1.244 106 F CB 0.146 39.171 39.000 0.043 0.000 1.577 106 F HN -0.223 nan 8.300 nan 0.000 0.614 107 T N 0.295 114.665 114.554 -0.305 0.000 2.938 107 T HA 0.280 4.630 4.350 0.001 0.000 0.285 107 T C 1.384 175.891 174.700 -0.322 0.000 1.028 107 T CA -0.229 61.720 62.100 -0.252 0.000 1.005 107 T CB 1.279 70.075 68.868 -0.120 0.000 1.157 107 T HN 0.311 nan 8.240 nan 0.000 0.550 108 V N -0.430 119.355 119.914 -0.214 0.000 2.324 108 V HA -0.207 3.914 4.120 0.001 0.000 0.250 108 V C 2.585 178.594 176.094 -0.142 0.000 1.060 108 V CA 2.110 64.305 62.300 -0.175 0.000 1.042 108 V CB -1.328 30.421 31.823 -0.123 0.000 0.650 108 V HN 0.978 nan 8.190 nan 0.000 0.450 109 R N 0.676 121.109 120.500 -0.112 0.000 2.073 109 R HA -0.088 4.252 4.340 0.001 0.000 0.229 109 R C 2.657 178.904 176.300 -0.088 0.000 1.120 109 R CA 1.467 57.519 56.100 -0.079 0.000 0.967 109 R CB -0.485 29.781 30.300 -0.057 0.000 0.862 109 R HN 0.539 nan 8.270 nan 0.000 0.436 110 R N 0.292 120.727 120.500 -0.109 0.000 2.096 110 R HA -0.090 4.250 4.340 0.001 0.000 0.235 110 R C 2.217 178.458 176.300 -0.099 0.000 1.127 110 R CA 1.964 58.017 56.100 -0.078 0.000 0.968 110 R CB -0.137 30.131 30.300 -0.054 0.000 0.861 110 R HN 0.320 nan 8.270 nan 0.000 0.440 111 M N -0.395 119.092 119.600 -0.190 0.000 2.099 111 M HA -0.162 4.318 4.480 0.001 0.000 0.262 111 M C 2.329 178.575 176.300 -0.091 0.000 1.067 111 M CA 1.591 56.794 55.300 -0.161 0.000 1.124 111 M CB -0.254 32.196 32.600 -0.251 0.000 1.353 111 M HN 0.079 nan 8.290 nan 0.000 0.410 112 Q N 0.510 120.259 119.800 -0.086 0.000 2.226 112 Q HA -0.058 4.282 4.340 0.001 0.000 0.204 112 Q C 1.946 177.923 176.000 -0.039 0.000 0.975 112 Q CA 1.871 57.642 55.803 -0.054 0.000 0.866 112 Q CB -0.227 28.481 28.738 -0.050 0.000 0.915 112 Q HN 0.524 nan 8.270 nan 0.000 0.440 113 A N -0.639 122.157 122.820 -0.040 0.000 2.014 113 A HA -0.073 4.248 4.320 0.001 0.000 0.218 113 A C 1.560 179.132 177.584 -0.021 0.000 1.163 113 A CA 0.677 52.698 52.037 -0.027 0.000 0.652 113 A CB -0.295 18.690 19.000 -0.024 0.000 0.808 113 A HN 0.374 nan 8.150 nan 0.000 0.449 114 L N 0.083 121.291 121.223 -0.024 0.000 2.549 114 L HA -0.009 4.331 4.340 0.001 0.000 0.229 114 L C 2.264 179.120 176.870 -0.024 0.000 1.158 114 L CA 0.927 55.753 54.840 -0.022 0.000 0.842 114 L CB -1.015 41.032 42.059 -0.020 0.000 0.952 114 L HN 0.374 nan 8.230 nan 0.000 0.452 115 R N 0.221 120.709 120.500 -0.020 0.000 2.112 115 R HA -0.203 4.138 4.340 0.001 0.000 0.242 115 R C -0.334 175.958 176.300 -0.014 0.000 1.137 115 R CA 2.055 58.146 56.100 -0.015 0.000 0.944 115 R CB -1.704 28.591 30.300 -0.009 0.000 0.857 115 R HN 0.375 nan 8.270 nan 0.000 0.435 116 P HA -0.080 nan 4.420 nan 0.000 0.218 116 P C 0.236 177.528 177.300 -0.012 0.000 1.149 116 P CA 1.366 64.461 63.100 -0.009 0.000 0.817 116 P CB -0.143 31.552 31.700 -0.008 0.000 0.785 117 N N -0.356 118.333 118.700 -0.018 0.000 2.171 117 N HA -0.059 4.681 4.740 0.001 0.000 0.184 117 N C 1.769 177.261 175.510 -0.029 0.000 1.021 117 N CA 0.914 53.950 53.050 -0.023 0.000 0.854 117 N CB -0.933 37.535 38.487 -0.032 0.000 0.994 117 N HN 0.158 nan 8.380 nan 0.000 0.426 118 I N 0.233 120.782 120.570 -0.036 0.000 2.202 118 I HA -0.247 3.924 4.170 0.001 0.000 0.242 118 I C 2.340 178.436 176.117 -0.034 0.000 1.091 118 I CA 1.010 62.280 61.300 -0.051 0.000 1.368 118 I CB -0.187 37.780 38.000 -0.055 0.000 1.058 118 I HN 0.092 nan 8.210 nan 0.000 0.410 119 Q N 1.162 120.953 119.800 -0.016 0.000 2.170 119 Q HA -0.227 4.113 4.340 0.001 0.000 0.203 119 Q C 2.213 178.219 176.000 0.009 0.000 0.976 119 Q CA 1.623 57.425 55.803 -0.001 0.000 0.858 119 Q CB -0.242 28.498 28.738 0.003 0.000 0.907 119 Q HN 0.369 nan 8.270 nan 0.000 0.433 120 R N -0.525 119.979 120.500 0.005 0.000 2.062 120 R HA -0.019 4.321 4.340 0.001 0.000 0.226 120 R C 2.089 178.409 176.300 0.035 0.000 1.125 120 R CA 1.243 57.351 56.100 0.014 0.000 0.966 120 R CB -0.310 29.992 30.300 0.004 0.000 0.861 120 R HN 0.367 nan 8.270 nan 0.000 0.433 121 I N 0.943 121.531 120.570 0.029 0.000 2.226 121 I HA -0.247 3.923 4.170 0.001 0.000 0.245 121 I C 2.296 178.501 176.117 0.147 0.000 1.100 121 I CA 0.996 62.347 61.300 0.085 0.000 1.374 121 I CB -0.083 37.919 38.000 0.004 0.000 1.057 121 I HN 0.031 nan 8.210 nan 0.000 0.413 122 V N 0.593 120.534 119.914 0.045 0.000 2.358 122 V HA -0.277 3.844 4.120 0.001 0.000 0.246 122 V C 2.060 178.255 176.094 0.168 0.000 1.047 122 V CA 1.893 64.251 62.300 0.096 0.000 1.035 122 V CB -0.668 31.187 31.823 0.053 0.000 0.658 122 V HN 0.415 nan 8.190 nan 0.000 0.452 123 D N -0.042 120.412 120.400 0.089 0.000 2.149 123 D HA -0.197 4.444 4.640 0.001 0.000 0.198 123 D C 2.151 178.486 176.300 0.059 0.000 0.990 123 D CA 1.447 55.481 54.000 0.056 0.000 0.839 123 D CB -0.072 40.743 40.800 0.024 0.000 0.948 123 D HN 0.585 nan 8.370 nan 0.000 0.460 124 E N -0.307 119.937 120.200 0.074 0.000 2.072 124 E HA -0.155 4.196 4.350 0.001 0.000 0.191 124 E C 1.988 178.581 176.600 -0.012 0.000 0.985 124 E CA 0.772 57.175 56.400 0.006 0.000 0.801 124 E CB -0.075 29.603 29.700 -0.036 0.000 0.750 124 E HN 0.425 nan 8.360 nan 0.000 0.452 125 H N 0.108 119.209 119.070 0.051 0.000 2.423 125 H HA -0.025 4.532 4.556 0.001 0.000 0.297 125 H C 1.920 177.283 175.328 0.059 0.000 1.075 125 H CA 0.966 57.071 56.048 0.096 0.000 1.342 125 H CB -0.001 29.873 29.762 0.187 0.000 1.395 125 H HN 0.070 nan 8.280 nan 0.000 0.530 126 L N -0.078 121.214 121.223 0.114 0.000 2.156 126 L HA -0.128 4.212 4.340 0.001 0.000 0.208 126 L C 1.789 178.605 176.870 -0.090 0.000 1.095 126 L CA 0.818 55.597 54.840 -0.102 0.000 0.770 126 L CB -0.161 41.774 42.059 -0.206 0.000 0.914 126 L HN 0.202 nan 8.230 nan 0.000 0.439 127 D N 0.647 121.026 120.400 -0.035 0.000 2.116 127 D HA -0.206 4.434 4.640 0.001 0.000 0.193 127 D C 2.260 178.550 176.300 -0.017 0.000 0.998 127 D CA 1.679 55.662 54.000 -0.029 0.000 0.836 127 D CB -0.092 40.696 40.800 -0.020 0.000 0.951 127 D HN 0.321 nan 8.370 nan 0.000 0.449 128 A N 0.492 123.299 122.820 -0.022 0.000 1.902 128 A HA -0.132 4.188 4.320 0.001 0.000 0.217 128 A C 2.411 180.009 177.584 0.024 0.000 1.181 128 A CA 0.939 52.972 52.037 -0.007 0.000 0.623 128 A CB -0.700 18.281 19.000 -0.032 0.000 0.818 128 A HN 0.210 nan 8.150 nan 0.000 0.443 129 I N -0.543 120.030 120.570 0.005 0.000 2.252 129 I HA -0.232 3.939 4.170 0.001 0.000 0.245 129 I C 2.492 178.662 176.117 0.088 0.000 1.102 129 I CA 1.398 62.711 61.300 0.020 0.000 1.385 129 I CB -0.370 37.552 38.000 -0.130 0.000 1.064 129 I HN 0.431 nan 8.210 nan 0.000 0.414 130 E N 0.853 121.065 120.200 0.020 0.000 2.110 130 E HA -0.211 4.139 4.350 0.001 0.000 0.193 130 E C 2.301 179.003 176.600 0.170 0.000 0.988 130 E CA 1.159 57.643 56.400 0.139 0.000 0.804 130 E CB -0.108 29.623 29.700 0.052 0.000 0.745 130 E HN 0.512 nan 8.360 nan 0.000 0.458 131 A N 1.848 124.728 122.820 0.100 0.000 1.834 131 A HA -0.242 4.078 4.320 0.001 0.000 0.216 131 A C 2.055 179.703 177.584 0.107 0.000 1.203 131 A CA 1.756 53.845 52.037 0.087 0.000 0.621 131 A CB -0.659 18.371 19.000 0.050 0.000 0.841 131 A HN 0.112 nan 8.150 nan 0.000 0.446 132 R N -0.353 120.212 120.500 0.109 0.000 2.332 132 R HA 0.114 4.455 4.340 0.001 0.000 0.239 132 R C 1.241 177.630 176.300 0.149 0.000 1.160 132 R CA 0.476 56.645 56.100 0.115 0.000 1.020 132 R CB -1.161 29.208 30.300 0.114 0.000 0.859 132 R HN 0.943 nan 8.270 nan 0.000 0.478 133 G N -0.850 108.087 108.800 0.229 0.000 2.901 133 G HA2 -0.141 3.820 3.960 0.001 0.000 0.654 133 G HA3 -0.141 3.820 3.960 0.001 0.000 0.654 133 G C 0.140 175.143 174.900 0.172 0.000 1.550 133 G CA -0.568 44.681 45.100 0.248 0.000 0.978 133 G HN 0.469 nan 8.290 nan 0.000 0.566 134 G N 0.438 109.221 108.800 -0.027 0.000 2.531 134 G HA2 0.836 4.796 3.960 0.001 0.000 0.313 134 G HA3 0.836 4.796 3.960 0.001 0.000 0.313 134 G C -1.566 173.278 174.900 -0.093 0.000 1.238 134 G CA -0.306 44.691 45.100 -0.172 0.000 0.994 134 G HN 0.830 nan 8.290 nan 0.000 0.493 135 P HA 0.302 nan 4.420 nan 0.000 0.269 135 P C -0.170 177.201 177.300 0.120 0.000 1.215 135 P CA -0.070 63.054 63.100 0.040 0.000 0.780 135 P CB 1.333 33.050 31.700 0.029 0.000 0.898 136 V N -1.936 118.099 119.914 0.201 0.000 3.126 136 V HA 0.554 4.675 4.120 0.001 0.000 0.314 136 V C -0.685 175.481 176.094 0.120 0.000 1.138 136 V CA -1.086 61.309 62.300 0.159 0.000 1.034 136 V CB 1.905 33.843 31.823 0.191 0.000 1.075 136 V HN 0.436 nan 8.190 nan 0.000 0.442 137 D N 1.061 121.517 120.400 0.093 0.000 2.380 137 D HA 0.290 4.931 4.640 0.001 0.000 0.230 137 D C 0.464 176.814 176.300 0.083 0.000 1.154 137 D CA -0.305 53.741 54.000 0.076 0.000 0.859 137 D CB 1.317 42.154 40.800 0.062 0.000 1.045 137 D HN 0.590 nan 8.370 nan 0.000 0.495 138 L N 4.376 125.645 121.223 0.077 0.000 2.376 138 L HA -0.008 4.332 4.340 0.001 0.000 0.219 138 L C 1.693 178.643 176.870 0.132 0.000 1.133 138 L CA 0.995 55.886 54.840 0.085 0.000 0.816 138 L CB 0.029 42.117 42.059 0.049 0.000 0.933 138 L HN 0.432 nan 8.230 nan 0.000 0.449 139 V N -0.791 119.181 119.914 0.096 0.000 2.283 139 V HA -0.248 3.873 4.120 0.001 0.000 0.243 139 V C 2.526 178.668 176.094 0.081 0.000 1.039 139 V CA 1.797 64.148 62.300 0.086 0.000 1.016 139 V CB -0.396 31.473 31.823 0.076 0.000 0.650 139 V HN 0.380 nan 8.190 nan 0.000 0.449 140 K N 0.397 120.845 120.400 0.081 0.000 2.057 140 K HA -0.160 4.160 4.320 0.001 0.000 0.207 140 K C 1.977 178.638 176.600 0.101 0.000 1.049 140 K CA 1.925 58.260 56.287 0.081 0.000 0.931 140 K CB -0.250 32.293 32.500 0.072 0.000 0.714 140 K HN 0.685 nan 8.250 nan 0.000 0.440 141 T N -2.755 111.877 114.554 0.129 0.000 3.107 141 T HA 0.099 4.449 4.350 0.001 0.000 0.249 141 T C 1.037 175.896 174.700 0.265 0.000 1.096 141 T CA 0.052 62.254 62.100 0.171 0.000 1.012 141 T CB 0.145 69.102 68.868 0.148 0.000 0.977 141 T HN 0.218 nan 8.240 nan 0.000 0.527 142 F N 0.330 120.266 119.950 -0.023 0.000 1.827 142 F HA 0.595 5.123 4.527 0.000 0.000 0.264 142 F C 2.075 177.773 175.800 -0.170 0.000 1.109 142 F CA 0.211 58.145 58.000 -0.111 0.000 1.264 142 F CB -0.323 38.609 39.000 -0.113 0.000 1.648 142 F HN 0.037 nan 8.300 nan 0.000 0.513 143 A N 0.841 123.647 122.820 -0.023 0.000 1.902 143 A HA -0.118 4.203 4.320 0.001 0.000 0.217 143 A C 1.671 179.124 177.584 -0.219 0.000 1.181 143 A CA 2.178 54.106 52.037 -0.181 0.000 0.623 143 A CB -0.874 18.120 19.000 -0.011 0.000 0.818 143 A HN 0.515 nan 8.150 nan 0.000 0.443 144 N N -0.007 118.624 118.700 -0.116 0.000 2.396 144 N HA 0.045 4.785 4.740 0.001 0.000 0.180 144 N C 1.555 176.897 175.510 -0.279 0.000 1.028 144 N CA 1.261 54.231 53.050 -0.134 0.000 0.893 144 N CB -0.296 38.210 38.487 0.032 0.000 0.967 144 N HN 0.486 nan 8.380 nan 0.000 0.440 145 A N -0.204 122.455 122.820 -0.268 0.000 1.997 145 A HA 0.122 4.442 4.320 0.001 0.000 0.212 145 A C 2.271 179.559 177.584 -0.494 0.000 1.178 145 A CA 0.320 52.199 52.037 -0.263 0.000 0.698 145 A CB -0.229 18.736 19.000 -0.059 0.000 0.842 145 A HN 0.043 nan 8.150 nan 0.000 0.458 146 V N 0.701 120.192 119.914 -0.705 0.000 2.270 146 V HA -0.129 3.991 4.120 0.001 0.000 0.245 146 V C -0.194 175.637 176.094 -0.439 0.000 1.043 146 V CA 2.480 64.363 62.300 -0.695 0.000 1.014 146 V CB -1.383 29.927 31.823 -0.856 0.000 0.645 146 V HN 0.320 nan 8.190 nan 0.000 0.447 147 P HA -0.184 nan 4.420 nan 0.000 0.216 147 P C 2.145 179.288 177.300 -0.260 0.000 1.153 147 P CA 2.186 65.109 63.100 -0.295 0.000 0.858 147 P CB -0.105 31.429 31.700 -0.276 0.000 0.789 148 S N -1.258 114.241 115.700 -0.336 0.000 2.383 148 S HA -0.200 4.271 4.470 0.001 0.000 0.229 148 S C 1.863 176.417 174.600 -0.076 0.000 1.030 148 S CA 1.565 59.638 58.200 -0.212 0.000 1.002 148 S CB -0.790 62.177 63.200 -0.388 0.000 0.829 148 S HN -0.014 nan 8.310 nan 0.000 0.467 149 M N 0.582 120.105 119.600 -0.128 0.000 2.492 149 M HA 0.182 4.663 4.480 0.001 0.000 0.262 149 M C 1.491 177.704 176.300 -0.145 0.000 1.090 149 M CA 0.904 56.156 55.300 -0.081 0.000 1.110 149 M CB 0.024 32.614 32.600 -0.015 0.000 1.407 149 M HN 0.180 nan 8.290 nan 0.000 0.470 150 V N -0.066 119.743 119.914 -0.174 0.000 2.535 150 V HA -0.154 3.966 4.120 0.001 0.000 0.246 150 V C 2.252 178.214 176.094 -0.221 0.000 1.045 150 V CA 0.979 63.181 62.300 -0.164 0.000 1.058 150 V CB -0.490 31.243 31.823 -0.151 0.000 0.689 150 V HN 0.429 nan 8.190 nan 0.000 0.461 151 I N 0.519 120.922 120.570 -0.278 0.000 2.226 151 I HA -0.194 3.976 4.170 0.001 0.000 0.245 151 I C 2.759 178.465 176.117 -0.685 0.000 1.100 151 I CA 2.059 63.053 61.300 -0.509 0.000 1.374 151 I CB -1.386 36.300 38.000 -0.523 0.000 1.057 151 I HN 0.450 nan 8.210 nan 0.000 0.413 152 S N 0.991 116.348 115.700 -0.572 0.000 2.370 152 S HA -0.240 4.230 4.470 0.001 0.000 0.226 152 S C 1.689 176.040 174.600 -0.415 0.000 1.033 152 S CA 1.976 59.696 58.200 -0.800 0.000 1.011 152 S CB -0.227 62.530 63.200 -0.738 0.000 0.852 152 S HN 0.362 nan 8.310 nan 0.000 0.457 153 D N 0.667 120.910 120.400 -0.261 0.000 2.178 153 D HA 0.008 4.648 4.640 0.001 0.000 0.202 153 D C 1.797 178.045 176.300 -0.087 0.000 0.974 153 D CA 0.768 54.682 54.000 -0.143 0.000 0.841 153 D CB -0.398 40.344 40.800 -0.096 0.000 0.953 153 D HN 0.443 nan 8.370 nan 0.000 0.478 154 L N -0.520 120.629 121.223 -0.124 0.000 2.141 154 L HA -0.041 4.299 4.340 0.001 0.000 0.209 154 L C 1.312 178.323 176.870 0.234 0.000 1.094 154 L CA 1.398 56.247 54.840 0.016 0.000 0.763 154 L CB -0.283 41.744 42.059 -0.054 0.000 0.908 154 L HN -0.104 nan 8.230 nan 0.000 0.437 155 F N 0.772 120.659 119.950 -0.106 0.000 2.797 155 F HA 0.385 4.912 4.527 0.000 0.000 0.302 155 F C 1.949 177.686 175.800 -0.105 0.000 1.130 155 F CA -0.091 57.847 58.000 -0.102 0.000 1.387 155 F CB -0.972 37.937 39.000 -0.151 0.000 1.107 155 F HN 0.247 nan 8.300 nan 0.000 0.577 156 G N 0.701 109.548 108.800 0.078 0.000 2.147 156 G HA2 -0.255 3.705 3.960 0.001 0.000 0.244 156 G HA3 -0.255 3.705 3.960 0.001 0.000 0.244 156 G C 0.128 175.017 174.900 -0.018 0.000 1.005 156 G CA 0.155 45.266 45.100 0.018 0.000 0.713 156 G HN 0.115 nan 8.290 nan 0.000 0.515 157 V N 1.942 121.809 119.914 -0.078 0.000 2.493 157 V HA 0.228 4.349 4.120 0.001 0.000 0.292 157 V C -0.744 175.312 176.094 -0.064 0.000 1.016 157 V CA -0.576 61.662 62.300 -0.103 0.000 1.097 157 V CB 0.589 32.238 31.823 -0.290 0.000 0.947 157 V HN 0.253 nan 8.190 nan 0.000 0.479 158 P HA 0.133 nan 4.420 nan 0.000 0.271 158 P C 1.192 178.486 177.300 -0.009 0.000 1.244 158 P CA -0.295 62.798 63.100 -0.012 0.000 0.793 158 P CB 0.592 32.293 31.700 0.002 0.000 0.984 159 V N 0.827 120.738 119.914 -0.006 0.000 2.282 159 V HA -0.242 3.878 4.120 0.001 0.000 0.249 159 V C 2.181 178.282 176.094 0.012 0.000 1.057 159 V CA 2.421 64.720 62.300 -0.001 0.000 1.032 159 V CB -1.247 30.575 31.823 -0.001 0.000 0.645 159 V HN 0.723 nan 8.190 nan 0.000 0.447 160 E N 0.266 120.475 120.200 0.015 0.000 2.482 160 E HA -0.173 4.177 4.350 0.001 0.000 0.196 160 E C 1.710 178.333 176.600 0.039 0.000 1.047 160 E CA 0.689 57.103 56.400 0.024 0.000 0.869 160 E CB -0.224 29.488 29.700 0.020 0.000 0.836 160 E HN 0.444 nan 8.360 nan 0.000 0.520 161 R N 0.588 121.115 120.500 0.045 0.000 2.362 161 R HA 0.277 4.617 4.340 0.001 0.000 0.227 161 R C 1.921 178.289 176.300 0.113 0.000 0.905 161 R CA -0.095 56.051 56.100 0.077 0.000 1.067 161 R CB -0.075 30.274 30.300 0.082 0.000 1.078 161 R HN 0.176 nan 8.270 nan 0.000 0.516 162 R N 0.534 121.081 120.500 0.079 0.000 2.075 162 R HA 0.001 4.341 4.340 0.001 0.000 0.232 162 R C 2.067 178.456 176.300 0.148 0.000 1.126 162 R CA 1.503 57.665 56.100 0.104 0.000 0.963 162 R CB -0.217 30.111 30.300 0.047 0.000 0.858 162 R HN 0.105 nan 8.270 nan 0.000 0.435 163 A N 1.284 124.165 122.820 0.101 0.000 1.908 163 A HA -0.249 4.072 4.320 0.001 0.000 0.218 163 A C 2.044 179.693 177.584 0.108 0.000 1.181 163 A CA 1.663 53.756 52.037 0.092 0.000 0.627 163 A CB -0.519 18.517 19.000 0.060 0.000 0.818 163 A HN 0.442 nan 8.150 nan 0.000 0.445 164 E N -1.394 118.874 120.200 0.114 0.000 2.085 164 E HA -0.225 4.125 4.350 0.001 0.000 0.194 164 E C 1.807 178.486 176.600 0.131 0.000 0.994 164 E CA 1.452 57.914 56.400 0.103 0.000 0.801 164 E CB -0.256 29.502 29.700 0.097 0.000 0.743 164 E HN 0.654 nan 8.360 nan 0.000 0.453 165 F N 1.268 121.247 119.950 0.048 0.000 2.206 165 F HA -0.154 4.374 4.527 0.001 0.000 0.298 165 F C 2.434 178.274 175.800 0.066 0.000 1.090 165 F CA 1.022 59.058 58.000 0.060 0.000 1.323 165 F CB 0.077 39.115 39.000 0.064 0.000 1.028 165 F HN -0.005 nan 8.300 nan 0.000 0.492 166 Q N 0.621 120.572 119.800 0.252 0.000 2.061 166 Q HA -0.209 4.132 4.340 0.001 0.000 0.204 166 Q C 1.811 177.852 176.000 0.068 0.000 0.984 166 Q CA 1.906 57.812 55.803 0.172 0.000 0.846 166 Q CB -0.781 28.055 28.738 0.163 0.000 0.902 166 Q HN 0.475 nan 8.270 nan 0.000 0.421 167 D N 0.229 120.654 120.400 0.042 0.000 2.117 167 D HA -0.061 4.580 4.640 0.001 0.000 0.198 167 D C 2.048 178.324 176.300 -0.039 0.000 0.982 167 D CA 0.697 54.705 54.000 0.013 0.000 0.828 167 D CB -0.133 40.678 40.800 0.019 0.000 0.967 167 D HN 0.247 nan 8.370 nan 0.000 0.464 168 I N 0.851 121.367 120.570 -0.090 0.000 2.353 168 I HA -0.146 4.025 4.170 0.001 0.000 0.248 168 I C 2.370 178.374 176.117 -0.188 0.000 1.119 168 I CA 0.632 61.853 61.300 -0.131 0.000 1.417 168 I CB -0.202 37.710 38.000 -0.148 0.000 1.078 168 I HN -0.080 nan 8.210 nan 0.000 0.421 169 A N 0.738 123.401 122.820 -0.261 0.000 1.872 169 A HA -0.239 4.081 4.320 0.001 0.000 0.214 169 A C 2.314 179.728 177.584 -0.285 0.000 1.187 169 A CA 1.714 53.582 52.037 -0.283 0.000 0.614 169 A CB -0.621 18.249 19.000 -0.217 0.000 0.826 169 A HN 0.486 nan 8.150 nan 0.000 0.442 170 E N 0.220 120.377 120.200 -0.072 0.000 2.038 170 E HA -0.178 4.172 4.350 0.001 0.000 0.195 170 E C 2.109 178.647 176.600 -0.103 0.000 1.000 170 E CA 1.368 57.746 56.400 -0.037 0.000 0.803 170 E CB -0.364 29.390 29.700 0.091 0.000 0.750 170 E HN 0.468 nan 8.360 nan 0.000 0.448 171 A N 1.231 124.005 122.820 -0.078 0.000 1.958 171 A HA -0.252 4.068 4.320 0.001 0.000 0.221 171 A C 2.222 179.753 177.584 -0.089 0.000 1.178 171 A CA 2.660 54.656 52.037 -0.068 0.000 0.642 171 A CB -0.794 18.174 19.000 -0.054 0.000 0.816 171 A HN 0.596 nan 8.150 nan 0.000 0.453 172 M N -3.236 116.285 119.600 -0.131 0.000 2.558 172 M HA 0.283 4.764 4.480 0.001 0.000 0.255 172 M C 1.456 177.690 176.300 -0.110 0.000 1.113 172 M CA 1.249 56.485 55.300 -0.107 0.000 1.097 172 M CB -0.010 32.528 32.600 -0.103 0.000 1.426 172 M HN 0.088 nan 8.290 nan 0.000 0.488 173 M N 0.964 120.459 119.600 -0.175 0.000 2.541 173 M HA 0.199 4.679 4.480 0.001 0.000 0.252 173 M C 0.756 177.031 176.300 -0.043 0.000 1.125 173 M CA 0.388 55.596 55.300 -0.152 0.000 1.091 173 M CB -0.561 31.798 32.600 -0.402 0.000 1.420 173 M HN 0.468 nan 8.290 nan 0.000 0.486 174 R N 0.777 121.248 120.500 -0.049 0.000 2.491 174 R HA 0.151 4.491 4.340 0.001 0.000 0.283 174 R C 0.161 176.444 176.300 -0.029 0.000 1.072 174 R CA 0.167 56.248 56.100 -0.032 0.000 1.048 174 R CB 1.055 31.334 30.300 -0.036 0.000 0.983 174 R HN -0.035 nan 8.270 nan 0.000 0.450 175 V N 3.712 123.597 119.914 -0.048 0.000 3.528 175 V HA 0.013 4.133 4.120 0.001 0.000 0.294 175 V C -0.208 175.855 176.094 -0.051 0.000 1.404 175 V CA 0.314 62.594 62.300 -0.033 0.000 1.065 175 V CB 0.264 32.083 31.823 -0.007 0.000 0.904 175 V HN 0.887 nan 8.190 nan 0.000 0.435 176 D N 1.413 121.768 120.400 -0.074 0.000 3.163 176 D HA 0.196 4.837 4.640 0.001 0.000 0.284 176 D C 0.031 176.298 176.300 -0.055 0.000 1.368 176 D CA -0.201 53.749 54.000 -0.083 0.000 0.895 176 D CB 0.368 41.097 40.800 -0.118 0.000 1.061 176 D HN 0.635 nan 8.370 nan 0.000 0.496 177 Q N -0.638 119.139 119.800 -0.037 0.000 2.482 177 Q HA 0.278 4.618 4.340 0.001 0.000 0.286 177 Q C -1.143 174.845 176.000 -0.020 0.000 1.007 177 Q CA -1.135 54.651 55.803 -0.029 0.000 0.801 177 Q CB 1.249 29.970 28.738 -0.028 0.000 1.455 177 Q HN -0.028 nan 8.270 nan 0.000 0.398 178 D N 0.731 121.120 120.400 -0.018 0.000 2.364 178 D HA 0.064 4.704 4.640 0.001 0.000 0.236 178 D C 0.719 177.013 176.300 -0.011 0.000 1.221 178 D CA 0.404 54.396 54.000 -0.014 0.000 0.891 178 D CB 0.636 41.428 40.800 -0.013 0.000 1.190 178 D HN 0.694 nan 8.370 nan 0.000 0.449 179 A N 1.687 124.502 122.820 -0.009 0.000 1.902 179 A HA 0.028 4.349 4.320 0.001 0.000 0.217 179 A C 2.250 179.829 177.584 -0.007 0.000 1.181 179 A CA 2.702 54.736 52.037 -0.006 0.000 0.623 179 A CB -1.246 17.750 19.000 -0.007 0.000 0.818 179 A HN 0.833 nan 8.150 nan 0.000 0.443 180 A N 0.185 123.000 122.820 -0.009 0.000 1.879 180 A HA -0.131 4.189 4.320 0.001 0.000 0.222 180 A C 2.582 180.160 177.584 -0.011 0.000 1.368 180 A CA 3.415 55.446 52.037 -0.010 0.000 0.707 180 A CB -1.512 17.482 19.000 -0.010 0.000 0.846 180 A HN 1.397 nan 8.150 nan 0.000 0.468 181 A N -2.136 120.676 122.820 -0.012 0.000 1.940 181 A HA -0.093 4.227 4.320 0.001 0.000 0.219 181 A C 2.305 179.880 177.584 -0.016 0.000 1.176 181 A CA 2.577 54.605 52.037 -0.015 0.000 0.631 181 A CB -1.432 17.558 19.000 -0.017 0.000 0.814 181 A HN 0.565 nan 8.150 nan 0.000 0.446 182 T N -0.212 114.334 114.554 -0.013 0.000 2.652 182 T HA -0.176 4.174 4.350 0.001 0.000 0.267 182 T C 1.822 176.516 174.700 -0.010 0.000 1.039 182 T CA 1.798 63.892 62.100 -0.011 0.000 1.153 182 T CB -0.289 68.578 68.868 -0.002 0.000 0.863 182 T HN 0.664 nan 8.240 nan 0.000 0.428 183 E N 0.651 120.847 120.200 -0.007 0.000 2.077 183 E HA -0.074 4.276 4.350 0.001 0.000 0.193 183 E C 2.532 179.126 176.600 -0.010 0.000 0.989 183 E CA 0.882 57.279 56.400 -0.005 0.000 0.800 183 E CB -0.237 29.461 29.700 -0.004 0.000 0.746 183 E HN 0.460 nan 8.360 nan 0.000 0.452 184 A N 1.437 124.250 122.820 -0.013 0.000 1.873 184 A HA -0.226 4.095 4.320 0.001 0.000 0.218 184 A C 2.393 179.965 177.584 -0.020 0.000 1.193 184 A CA 2.046 54.073 52.037 -0.015 0.000 0.629 184 A CB -0.834 18.157 19.000 -0.015 0.000 0.826 184 A HN 0.327 nan 8.150 nan 0.000 0.447 185 A N -0.842 121.963 122.820 -0.024 0.000 2.015 185 A HA 0.187 4.507 4.320 0.001 0.000 0.219 185 A C 2.327 179.888 177.584 -0.039 0.000 1.163 185 A CA 1.807 53.823 52.037 -0.035 0.000 0.646 185 A CB -1.195 17.781 19.000 -0.041 0.000 0.806 185 A HN 0.720 nan 8.150 nan 0.000 0.448 186 G N -0.757 108.026 108.800 -0.028 0.000 2.414 186 G HA2 -0.232 3.728 3.960 0.001 0.000 0.215 186 G HA3 -0.232 3.728 3.960 0.001 0.000 0.215 186 G C 1.623 176.512 174.900 -0.018 0.000 1.188 186 G CA 1.039 46.124 45.100 -0.024 0.000 0.783 186 G HN 0.426 nan 8.290 nan 0.000 0.537 187 M N 0.221 119.813 119.600 -0.014 0.000 2.089 187 M HA -0.184 4.296 4.480 0.001 0.000 0.257 187 M C 2.620 178.911 176.300 -0.015 0.000 1.071 187 M CA 2.096 57.389 55.300 -0.013 0.000 1.096 187 M CB -0.187 32.404 32.600 -0.014 0.000 1.330 187 M HN 0.304 nan 8.290 nan 0.000 0.403 188 R N 0.214 120.702 120.500 -0.020 0.000 2.120 188 R HA -0.123 4.218 4.340 0.001 0.000 0.234 188 R C 2.216 178.503 176.300 -0.023 0.000 1.123 188 R CA 1.093 57.182 56.100 -0.019 0.000 0.975 188 R CB -0.293 29.992 30.300 -0.025 0.000 0.866 188 R HN 0.483 nan 8.270 nan 0.000 0.446 189 L N 0.082 121.281 121.223 -0.039 0.000 1.994 189 L HA -0.086 4.254 4.340 0.001 0.000 0.208 189 L C 2.247 179.116 176.870 -0.001 0.000 1.071 189 L CA 2.076 56.886 54.840 -0.049 0.000 0.745 189 L CB -1.201 40.814 42.059 -0.073 0.000 0.892 189 L HN 0.493 nan 8.230 nan 0.000 0.431 190 G N -0.659 108.146 108.800 0.010 0.000 2.547 190 G HA2 -0.339 3.621 3.960 0.001 0.000 0.221 190 G HA3 -0.339 3.621 3.960 0.001 0.000 0.221 190 G C 1.421 176.361 174.900 0.067 0.000 1.140 190 G CA 1.029 46.150 45.100 0.036 0.000 0.760 190 G HN 0.567 nan 8.290 nan 0.000 0.583 191 G N 0.379 109.205 108.800 0.043 0.000 2.395 191 G HA2 -0.011 3.950 3.960 0.001 0.000 0.214 191 G HA3 -0.011 3.950 3.960 0.001 0.000 0.214 191 G C 1.738 176.706 174.900 0.114 0.000 1.177 191 G CA 0.807 45.942 45.100 0.059 0.000 0.794 191 G HN 0.438 nan 8.290 nan 0.000 0.532 192 L N 0.310 121.578 121.223 0.075 0.000 2.127 192 L HA 0.108 4.449 4.340 0.001 0.000 0.211 192 L C 2.527 179.474 176.870 0.128 0.000 1.089 192 L CA 1.270 56.166 54.840 0.094 0.000 0.757 192 L CB -0.138 41.951 42.059 0.049 0.000 0.899 192 L HN 0.183 nan 8.230 nan 0.000 0.434 193 L N -2.434 118.862 121.223 0.123 0.000 2.162 193 L HA -0.168 4.173 4.340 0.001 0.000 0.205 193 L C 2.360 179.276 176.870 0.078 0.000 1.086 193 L CA 0.914 55.820 54.840 0.109 0.000 0.778 193 L CB -0.619 41.493 42.059 0.088 0.000 0.928 193 L HN 0.291 nan 8.230 nan 0.000 0.446 194 Y N 1.040 121.346 120.300 0.011 0.000 2.114 194 Y HA -0.395 4.156 4.550 0.001 0.000 0.282 194 Y C 2.875 178.782 175.900 0.012 0.000 1.165 194 Y CA 2.243 60.347 58.100 0.006 0.000 1.148 194 Y CB -0.133 38.331 38.460 0.007 0.000 0.972 194 Y HN 0.195 nan 8.280 nan 0.000 0.504 195 Q N 0.155 120.070 119.800 0.191 0.000 2.084 195 Q HA -0.244 4.097 4.340 0.001 0.000 0.202 195 Q C 2.385 178.382 176.000 -0.005 0.000 0.978 195 Q CA 1.936 57.798 55.803 0.098 0.000 0.844 195 Q CB -0.384 28.431 28.738 0.127 0.000 0.898 195 Q HN 0.721 nan 8.270 nan 0.000 0.426 196 L N 0.070 121.305 121.223 0.019 0.000 2.046 196 L HA -0.160 4.180 4.340 0.001 0.000 0.208 196 L C 2.271 179.093 176.870 -0.081 0.000 1.077 196 L CA 0.970 55.811 54.840 0.001 0.000 0.747 196 L CB -0.254 41.844 42.059 0.065 0.000 0.896 196 L HN 0.118 nan 8.230 nan 0.000 0.432 197 V N 0.167 119.994 119.914 -0.145 0.000 2.332 197 V HA -0.314 3.806 4.120 0.001 0.000 0.248 197 V C 2.661 178.640 176.094 -0.191 0.000 1.055 197 V CA 1.842 64.030 62.300 -0.187 0.000 1.038 197 V CB -0.620 31.062 31.823 -0.236 0.000 0.651 197 V HN 0.580 nan 8.190 nan 0.000 0.450 198 Q N -0.098 119.550 119.800 -0.252 0.000 2.170 198 Q HA -0.215 4.125 4.340 0.001 0.000 0.203 198 Q C 2.082 178.024 176.000 -0.097 0.000 0.976 198 Q CA 1.591 57.281 55.803 -0.189 0.000 0.858 198 Q CB -0.420 28.206 28.738 -0.187 0.000 0.907 198 Q HN 0.765 nan 8.270 nan 0.000 0.433 199 E N 0.154 120.312 120.200 -0.069 0.000 2.208 199 E HA -0.066 4.284 4.350 0.001 0.000 0.193 199 E C 2.005 178.581 176.600 -0.040 0.000 0.988 199 E CA 0.352 56.730 56.400 -0.035 0.000 0.828 199 E CB 0.077 29.771 29.700 -0.011 0.000 0.763 199 E HN 0.162 nan 8.360 nan 0.000 0.478 200 R N 0.758 121.224 120.500 -0.056 0.000 2.093 200 R HA 0.072 4.413 4.340 0.001 0.000 0.224 200 R C 2.149 178.419 176.300 -0.051 0.000 1.101 200 R CA 0.563 56.633 56.100 -0.050 0.000 0.979 200 R CB -0.320 29.945 30.300 -0.058 0.000 0.877 200 R HN 0.143 nan 8.270 nan 0.000 0.441 201 R N 0.650 121.110 120.500 -0.066 0.000 2.119 201 R HA -0.148 4.193 4.340 0.001 0.000 0.246 201 R C 2.262 178.537 176.300 -0.041 0.000 1.146 201 R CA 1.942 58.008 56.100 -0.058 0.000 0.962 201 R CB -0.391 29.867 30.300 -0.070 0.000 0.863 201 R HN 0.208 nan 8.270 nan 0.000 0.442 202 A N 0.512 123.309 122.820 -0.037 0.000 1.874 202 A HA -0.023 4.298 4.320 0.001 0.000 0.214 202 A C 0.660 178.233 177.584 -0.020 0.000 1.189 202 A CA 0.919 52.941 52.037 -0.024 0.000 0.615 202 A CB 0.190 19.179 19.000 -0.018 0.000 0.830 202 A HN 0.189 nan 8.150 nan 0.000 0.443 203 N N 0.313 119.001 118.700 -0.020 0.000 2.727 203 N HA 0.349 5.089 4.740 0.001 0.000 0.252 203 N C -3.203 172.298 175.510 -0.016 0.000 1.283 203 N CA -1.018 52.024 53.050 -0.015 0.000 0.782 203 N CB 1.293 39.775 38.487 -0.009 0.000 1.199 203 N HN 0.124 nan 8.380 nan 0.000 0.520 204 P HA 0.380 nan 4.420 nan 0.000 0.274 204 P C 0.410 177.703 177.300 -0.012 0.000 1.231 204 P CA -0.157 62.932 63.100 -0.018 0.000 0.790 204 P CB 1.442 33.130 31.700 -0.020 0.000 0.951 205 G N 0.505 109.299 108.800 -0.009 0.000 3.265 205 G HA2 0.173 4.133 3.960 0.001 0.000 0.171 205 G HA3 0.173 4.133 3.960 0.001 0.000 0.171 205 G C -0.277 174.623 174.900 0.000 0.000 1.110 205 G CA -0.223 44.875 45.100 -0.004 0.000 0.855 205 G HN 0.315 nan 8.290 nan 0.000 0.658 206 D N 1.120 121.524 120.400 0.005 0.000 2.360 206 D HA 0.113 4.753 4.640 0.001 0.000 0.210 206 D C 0.636 176.951 176.300 0.025 0.000 1.047 206 D CA 0.108 54.115 54.000 0.011 0.000 0.854 206 D CB 0.196 41.001 40.800 0.009 0.000 0.936 206 D HN 0.468 nan 8.370 nan 0.000 0.514 207 D N 0.455 120.873 120.400 0.030 0.000 2.380 207 D HA -0.048 4.592 4.640 0.001 0.000 0.254 207 D C 1.409 177.753 176.300 0.075 0.000 1.288 207 D CA -0.557 53.479 54.000 0.060 0.000 1.008 207 D CB 1.484 42.323 40.800 0.065 0.000 1.099 207 D HN -0.055 nan 8.370 nan 0.000 0.537 208 L N -0.684 120.618 121.223 0.131 0.000 2.418 208 L HA -0.050 4.290 4.340 0.001 0.000 0.218 208 L C 1.889 178.783 176.870 0.040 0.000 1.125 208 L CA 0.877 55.794 54.840 0.128 0.000 0.835 208 L CB -0.212 41.987 42.059 0.234 0.000 0.953 208 L HN 0.351 nan 8.230 nan 0.000 0.454 209 I N -0.900 119.656 120.570 -0.023 0.000 2.277 209 I HA -0.119 4.051 4.170 0.001 0.000 0.243 209 I C 2.458 178.539 176.117 -0.061 0.000 1.094 209 I CA 0.988 62.224 61.300 -0.106 0.000 1.393 209 I CB -1.578 36.293 38.000 -0.215 0.000 1.078 209 I HN 0.199 nan 8.210 nan 0.000 0.417 210 S N 1.540 117.218 115.700 -0.038 0.000 2.368 210 S HA -0.250 4.220 4.470 0.001 0.000 0.226 210 S C 2.195 176.783 174.600 -0.019 0.000 1.044 210 S CA 1.931 60.115 58.200 -0.027 0.000 1.062 210 S CB -0.439 62.754 63.200 -0.013 0.000 0.931 210 S HN 0.582 nan 8.310 nan 0.000 0.440 211 A N 0.677 123.496 122.820 -0.002 0.000 1.968 211 A HA 0.121 4.442 4.320 0.001 0.000 0.217 211 A C 2.096 179.679 177.584 -0.003 0.000 1.169 211 A CA 0.836 52.875 52.037 0.004 0.000 0.638 211 A CB -0.533 18.482 19.000 0.024 0.000 0.812 211 A HN 0.455 nan 8.150 nan 0.000 0.446 212 L N -0.809 120.412 121.223 -0.003 0.000 2.093 212 L HA -0.130 4.210 4.340 0.001 0.000 0.208 212 L C 2.365 179.207 176.870 -0.047 0.000 1.085 212 L CA 1.035 55.865 54.840 -0.015 0.000 0.755 212 L CB -0.412 41.649 42.059 0.002 0.000 0.904 212 L HN 0.346 nan 8.230 nan 0.000 0.435 213 I N -0.558 119.983 120.570 -0.048 0.000 2.361 213 I HA -0.267 3.904 4.170 0.001 0.000 0.251 213 I C 1.986 178.070 176.117 -0.055 0.000 1.133 213 I CA 1.359 62.625 61.300 -0.057 0.000 1.413 213 I CB -0.109 37.858 38.000 -0.055 0.000 1.073 213 I HN 0.180 nan 8.210 nan 0.000 0.424 214 T N -0.649 113.879 114.554 -0.044 0.000 3.107 214 T HA 0.007 4.357 4.350 0.001 0.000 0.249 214 T C 0.875 175.549 174.700 -0.043 0.000 1.096 214 T CA 0.171 62.247 62.100 -0.040 0.000 1.012 214 T CB -0.221 68.629 68.868 -0.029 0.000 0.977 214 T HN 0.227 nan 8.240 nan 0.000 0.527 215 T N 2.639 117.163 114.554 -0.050 0.000 2.946 215 T HA -0.030 4.320 4.350 0.001 0.000 0.311 215 T C 0.301 174.964 174.700 -0.061 0.000 1.063 215 T CA -0.025 62.045 62.100 -0.051 0.000 1.139 215 T CB 0.239 69.074 68.868 -0.055 0.000 0.994 215 T HN 0.257 nan 8.240 nan 0.000 0.547 216 E N 2.872 123.042 120.200 -0.051 0.000 2.868 216 E HA -0.110 4.241 4.350 0.001 0.000 0.246 216 E C -0.520 176.036 176.600 -0.073 0.000 0.962 216 E CA 0.707 57.075 56.400 -0.054 0.000 0.955 216 E CB 0.178 29.853 29.700 -0.041 0.000 0.903 216 E HN 0.485 nan 8.360 nan 0.000 0.524 217 D N 5.328 125.682 120.400 -0.077 0.000 2.586 217 D HA 0.208 4.848 4.640 0.001 0.000 0.254 217 D C -2.067 174.187 176.300 -0.077 0.000 1.248 217 D CA -1.577 52.363 54.000 -0.100 0.000 0.843 217 D CB 0.949 41.666 40.800 -0.138 0.000 1.332 217 D HN 0.101 nan 8.370 nan 0.000 0.523 218 P HA -0.077 nan 4.420 nan 0.000 0.216 218 P C 0.134 177.408 177.300 -0.044 0.000 1.153 218 P CA 1.153 64.226 63.100 -0.045 0.000 0.858 218 P CB 0.289 31.967 31.700 -0.036 0.000 0.789 219 D N -2.091 118.279 120.400 -0.050 0.000 2.358 219 D HA 0.262 4.902 4.640 0.001 0.000 0.224 219 D C 1.122 177.392 176.300 -0.049 0.000 1.123 219 D CA 0.404 54.380 54.000 -0.039 0.000 0.833 219 D CB -0.855 39.928 40.800 -0.029 0.000 0.946 219 D HN 0.099 nan 8.370 nan 0.000 0.505 220 G N 0.831 109.591 108.800 -0.067 0.000 2.379 220 G HA2 -0.338 3.622 3.960 0.001 0.000 0.297 220 G HA3 -0.338 3.622 3.960 0.001 0.000 0.297 220 G C 1.151 175.996 174.900 -0.091 0.000 1.004 220 G CA 0.549 45.604 45.100 -0.075 0.000 0.921 220 G HN 0.359 nan 8.290 nan 0.000 0.511 221 V N -0.775 119.061 119.914 -0.130 0.000 2.626 221 V HA -0.092 4.028 4.120 0.001 0.000 0.252 221 V C 1.947 177.854 176.094 -0.312 0.000 1.067 221 V CA 1.604 63.812 62.300 -0.153 0.000 1.081 221 V CB 0.145 31.868 31.823 -0.166 0.000 0.686 221 V HN 0.371 nan 8.190 nan 0.000 0.468 222 V N 3.446 123.115 119.914 -0.409 0.000 2.276 222 V HA 0.187 4.307 4.120 0.001 0.000 0.249 222 V C -0.088 175.901 176.094 -0.176 0.000 1.160 222 V CA -0.528 61.458 62.300 -0.524 0.000 1.042 222 V CB -0.319 31.212 31.823 -0.486 0.000 1.224 222 V HN 0.662 nan 8.190 nan 0.000 0.496 223 D N 1.148 121.531 120.400 -0.027 0.000 2.449 223 D HA 0.263 4.903 4.640 0.001 0.000 0.250 223 D C 0.653 176.999 176.300 0.077 0.000 1.050 223 D CA -0.977 53.038 54.000 0.025 0.000 1.024 223 D CB 0.871 41.694 40.800 0.039 0.000 1.218 223 D HN 0.039 nan 8.370 nan 0.000 0.566 224 D N -0.266 120.162 120.400 0.047 0.000 2.239 224 D HA -0.162 4.479 4.640 0.001 0.000 0.202 224 D C 1.723 178.081 176.300 0.097 0.000 0.993 224 D CA 1.648 55.668 54.000 0.033 0.000 0.874 224 D CB -0.237 40.572 40.800 0.014 0.000 0.922 224 D HN 0.429 nan 8.370 nan 0.000 0.464 225 M N -1.237 118.439 119.600 0.127 0.000 2.236 225 M HA 0.036 4.516 4.480 0.001 0.000 0.266 225 M C 1.864 178.242 176.300 0.129 0.000 1.070 225 M CA 0.610 55.985 55.300 0.124 0.000 1.137 225 M CB -0.287 32.377 32.600 0.107 0.000 1.378 225 M HN -0.079 nan 8.290 nan 0.000 0.426 226 F N 1.307 121.258 119.950 0.002 0.000 2.134 226 F HA -0.145 4.382 4.527 0.001 0.000 0.299 226 F C 1.800 177.579 175.800 -0.035 0.000 1.097 226 F CA 1.609 59.602 58.000 -0.011 0.000 1.264 226 F CB -0.189 38.801 39.000 -0.016 0.000 1.001 226 F HN -0.037 nan 8.300 nan 0.000 0.479 227 L N -0.609 120.782 121.223 0.280 0.000 2.127 227 L HA -0.273 4.067 4.340 0.001 0.000 0.211 227 L C 2.455 179.306 176.870 -0.030 0.000 1.089 227 L CA 1.417 56.320 54.840 0.105 0.000 0.757 227 L CB -0.665 41.403 42.059 0.014 0.000 0.899 227 L HN 0.239 nan 8.230 nan 0.000 0.434 228 M N -0.743 118.854 119.600 -0.004 0.000 2.200 228 M HA -0.128 4.352 4.480 0.001 0.000 0.265 228 M C 1.977 178.251 176.300 -0.043 0.000 1.066 228 M CA 1.304 56.596 55.300 -0.013 0.000 1.127 228 M CB -0.356 32.273 32.600 0.049 0.000 1.379 228 M HN 0.268 nan 8.290 nan 0.000 0.420 229 N N 0.722 119.375 118.700 -0.079 0.000 2.166 229 N HA -0.089 4.652 4.740 0.001 0.000 0.186 229 N C 1.658 177.068 175.510 -0.165 0.000 1.019 229 N CA 1.679 54.656 53.050 -0.122 0.000 0.856 229 N CB -0.178 38.211 38.487 -0.164 0.000 0.993 229 N HN 0.333 nan 8.380 nan 0.000 0.426 230 A N 0.890 123.579 122.820 -0.220 0.000 1.903 230 A HA 0.234 4.555 4.320 0.001 0.000 0.213 230 A C 2.350 179.865 177.584 -0.114 0.000 1.185 230 A CA 1.316 53.224 52.037 -0.215 0.000 0.628 230 A CB -0.600 18.268 19.000 -0.220 0.000 0.830 230 A HN 0.269 nan 8.150 nan 0.000 0.446 231 A N -0.378 122.377 122.820 -0.109 0.000 1.933 231 A HA 0.138 4.458 4.320 0.001 0.000 0.218 231 A C 2.285 179.972 177.584 0.171 0.000 1.175 231 A CA 1.834 53.856 52.037 -0.024 0.000 0.628 231 A CB -1.148 17.658 19.000 -0.324 0.000 0.814 231 A HN 0.689 nan 8.150 nan 0.000 0.444 232 G N -1.528 107.304 108.800 0.053 0.000 2.464 232 G HA2 -0.010 3.950 3.960 0.001 0.000 0.217 232 G HA3 -0.010 3.950 3.960 0.001 0.000 0.217 232 G C 1.469 176.372 174.900 0.005 0.000 1.138 232 G CA 1.429 46.565 45.100 0.060 0.000 0.793 232 G HN 0.427 nan 8.290 nan 0.000 0.539 233 T N 1.682 116.204 114.554 -0.054 0.000 2.737 233 T HA -0.021 4.329 4.350 0.001 0.000 0.265 233 T C 2.424 177.065 174.700 -0.098 0.000 1.038 233 T CA 0.726 62.757 62.100 -0.115 0.000 1.144 233 T CB -0.205 68.561 68.868 -0.170 0.000 0.866 233 T HN 0.153 nan 8.240 nan 0.000 0.434 234 L N 0.502 121.686 121.223 -0.065 0.000 2.042 234 L HA -0.085 4.255 4.340 0.001 0.000 0.210 234 L C 2.482 179.325 176.870 -0.044 0.000 1.076 234 L CA 1.077 55.864 54.840 -0.088 0.000 0.749 234 L CB -0.622 41.389 42.059 -0.079 0.000 0.893 234 L HN 0.247 nan 8.230 nan 0.000 0.432 235 L N -0.654 120.595 121.223 0.043 0.000 2.162 235 L HA -0.065 4.275 4.340 0.001 0.000 0.205 235 L C 2.305 179.193 176.870 0.031 0.000 1.086 235 L CA 1.398 56.263 54.840 0.041 0.000 0.778 235 L CB -0.286 41.873 42.059 0.167 0.000 0.928 235 L HN -0.003 nan 8.230 nan 0.000 0.446 236 I N 0.814 121.379 120.570 -0.008 0.000 2.286 236 I HA -0.179 3.992 4.170 0.001 0.000 0.248 236 I C 2.751 178.825 176.117 -0.071 0.000 1.115 236 I CA 1.219 62.500 61.300 -0.033 0.000 1.392 236 I CB -2.150 35.803 38.000 -0.077 0.000 1.065 236 I HN 0.368 nan 8.210 nan 0.000 0.418 237 A N 1.006 123.753 122.820 -0.123 0.000 1.883 237 A HA -0.167 4.153 4.320 0.001 0.000 0.217 237 A C 2.595 180.133 177.584 -0.078 0.000 1.186 237 A CA 2.357 54.298 52.037 -0.160 0.000 0.624 237 A CB -0.941 17.980 19.000 -0.132 0.000 0.822 237 A HN 0.406 nan 8.150 nan 0.000 0.444 238 A N -1.741 121.050 122.820 -0.048 0.000 1.858 238 A HA -0.218 4.103 4.320 0.001 0.000 0.216 238 A C 2.161 179.729 177.584 -0.028 0.000 1.190 238 A CA 1.777 53.786 52.037 -0.047 0.000 0.617 238 A CB -0.925 18.028 19.000 -0.078 0.000 0.827 238 A HN 0.643 nan 8.150 nan 0.000 0.443 239 H N -0.993 118.037 119.070 -0.066 0.000 2.546 239 H HA -0.038 4.518 4.556 0.001 0.000 0.277 239 H C 1.319 176.629 175.328 -0.031 0.000 1.004 239 H CA 1.687 57.706 56.048 -0.048 0.000 1.231 239 H CB 0.177 29.919 29.762 -0.034 0.000 1.382 239 H HN 0.641 nan 8.280 nan 0.000 0.580 240 D N -1.966 118.496 120.400 0.104 0.000 3.194 240 D HA -0.026 4.615 4.640 0.001 0.000 0.290 240 D C 1.875 178.179 176.300 0.007 0.000 1.280 240 D CA 1.227 55.271 54.000 0.073 0.000 1.058 240 D CB -0.007 40.814 40.800 0.035 0.000 1.241 240 D HN 0.062 nan 8.370 nan 0.000 0.421 241 T N -0.660 113.875 114.554 -0.031 0.000 2.777 241 T HA -0.063 4.287 4.350 0.001 0.000 0.266 241 T C 1.733 176.438 174.700 0.008 0.000 1.040 241 T CA 1.977 64.076 62.100 -0.003 0.000 1.141 241 T CB -0.529 68.309 68.868 -0.049 0.000 0.868 241 T HN 0.169 nan 8.240 nan 0.000 0.444 242 T N 1.939 116.489 114.554 -0.008 0.000 2.857 242 T HA 0.099 4.450 4.350 0.001 0.000 0.266 242 T C 2.442 177.113 174.700 -0.049 0.000 1.048 242 T CA 0.938 63.033 62.100 -0.009 0.000 1.139 242 T CB -0.487 68.362 68.868 -0.032 0.000 0.874 242 T HN 0.397 nan 8.240 nan 0.000 0.455 243 A N 0.728 123.509 122.820 -0.065 0.000 1.940 243 A HA -0.142 4.178 4.320 0.001 0.000 0.219 243 A C 2.631 180.186 177.584 -0.048 0.000 1.176 243 A CA 1.479 53.470 52.037 -0.075 0.000 0.631 243 A CB -1.330 17.643 19.000 -0.044 0.000 0.814 243 A HN 0.634 nan 8.150 nan 0.000 0.446 244 C N -1.880 117.381 119.300 -0.065 0.000 2.435 244 C HA -0.030 4.430 4.460 0.001 0.000 0.279 244 C C 2.664 177.588 174.990 -0.110 0.000 1.321 244 C CA 1.479 60.404 59.018 -0.154 0.000 1.752 244 C CB -1.031 26.510 27.740 -0.332 0.000 1.959 244 C HN 0.724 nan 8.230 nan 0.000 0.500 245 M N 0.270 119.848 119.600 -0.037 0.000 2.334 245 M HA 0.152 4.632 4.480 0.001 0.000 0.266 245 M C 1.731 178.099 176.300 0.114 0.000 1.082 245 M CA 1.628 56.952 55.300 0.040 0.000 1.141 245 M CB -0.440 32.207 32.600 0.078 0.000 1.380 245 M HN 0.265 nan 8.290 nan 0.000 0.440 246 I N -0.655 119.940 120.570 0.042 0.000 2.439 246 I HA -0.102 4.068 4.170 0.001 0.000 0.251 246 I C 2.227 178.428 176.117 0.140 0.000 1.139 246 I CA 1.133 62.467 61.300 0.056 0.000 1.438 246 I CB -0.908 37.012 38.000 -0.133 0.000 1.085 246 I HN 0.462 nan 8.210 nan 0.000 0.427 247 G N 0.856 109.704 108.800 0.081 0.000 2.395 247 G HA2 -0.100 3.860 3.960 0.001 0.000 0.214 247 G HA3 -0.100 3.860 3.960 0.001 0.000 0.214 247 G C 1.701 176.681 174.900 0.134 0.000 1.177 247 G CA 0.139 45.297 45.100 0.097 0.000 0.794 247 G HN 0.186 nan 8.290 nan 0.000 0.532 248 L N 0.752 122.040 121.223 0.109 0.000 2.017 248 L HA -0.015 4.325 4.340 0.001 0.000 0.208 248 L C 3.119 180.106 176.870 0.195 0.000 1.073 248 L CA 1.245 56.210 54.840 0.208 0.000 0.745 248 L CB -0.477 41.655 42.059 0.122 0.000 0.894 248 L HN 0.348 nan 8.230 nan 0.000 0.432 249 G N -1.508 107.399 108.800 0.178 0.000 2.408 249 G HA2 -0.208 3.753 3.960 0.001 0.000 0.217 249 G HA3 -0.208 3.753 3.960 0.001 0.000 0.217 249 G C 1.524 176.503 174.900 0.131 0.000 1.150 249 G CA 1.073 46.233 45.100 0.101 0.000 0.776 249 G HN 0.278 nan 8.290 nan 0.000 0.542 250 T N 1.817 116.571 114.554 0.334 0.000 2.720 250 T HA -0.084 4.266 4.350 0.001 0.000 0.268 250 T C 2.803 177.616 174.700 0.188 0.000 1.037 250 T CA 1.641 63.937 62.100 0.328 0.000 1.144 250 T CB -0.391 68.636 68.868 0.264 0.000 0.864 250 T HN 0.373 nan 8.240 nan 0.000 0.444 251 A N 0.952 123.874 122.820 0.170 0.000 1.933 251 A HA 0.035 4.355 4.320 0.001 0.000 0.218 251 A C 2.295 179.880 177.584 0.002 0.000 1.175 251 A CA 1.155 53.316 52.037 0.208 0.000 0.628 251 A CB -0.754 18.496 19.000 0.416 0.000 0.814 251 A HN 0.500 nan 8.150 nan 0.000 0.444 252 L N -0.984 120.067 121.223 -0.288 0.000 2.131 252 L HA -0.008 4.332 4.340 0.001 0.000 0.206 252 L C 2.337 178.927 176.870 -0.467 0.000 1.087 252 L CA 1.039 55.329 54.840 -0.917 0.000 0.767 252 L CB -0.188 41.298 42.059 -0.954 0.000 0.917 252 L HN 0.398 nan 8.230 nan 0.000 0.441 253 L N -0.395 120.708 121.223 -0.200 0.000 2.156 253 L HA -0.188 4.152 4.340 0.001 0.000 0.208 253 L C 2.272 179.155 176.870 0.023 0.000 1.095 253 L CA 0.821 55.638 54.840 -0.040 0.000 0.770 253 L CB -0.171 41.900 42.059 0.020 0.000 0.914 253 L HN 0.273 nan 8.230 nan 0.000 0.439 254 L N -0.682 120.594 121.223 0.088 0.000 2.610 254 L HA -0.102 4.239 4.340 0.001 0.000 0.232 254 L C 0.996 177.913 176.870 0.078 0.000 1.149 254 L CA 0.406 55.319 54.840 0.121 0.000 0.872 254 L CB -0.218 41.935 42.059 0.156 0.000 0.992 254 L HN 0.188 nan 8.230 nan 0.000 0.447 255 D N -1.021 119.392 120.400 0.023 0.000 2.440 255 D HA 0.054 4.695 4.640 0.001 0.000 0.216 255 D C -0.138 176.167 176.300 0.009 0.000 1.150 255 D CA 0.163 54.191 54.000 0.047 0.000 0.832 255 D CB 0.547 41.406 40.800 0.098 0.000 0.992 255 D HN -0.084 nan 8.370 nan 0.000 0.502 256 S N 0.952 116.652 115.700 -0.001 0.000 2.395 256 S HA 0.250 4.721 4.470 0.001 0.000 0.207 256 S C -2.053 172.555 174.600 0.013 0.000 1.454 256 S CA -0.962 57.256 58.200 0.030 0.000 1.211 256 S CB 1.859 65.127 63.200 0.113 0.000 1.093 256 S HN 0.038 nan 8.310 nan 0.000 0.472 257 P HA -0.154 nan 4.420 nan 0.000 0.216 257 P C 1.275 178.556 177.300 -0.031 0.000 1.150 257 P CA 1.231 64.329 63.100 -0.003 0.000 0.837 257 P CB 0.028 31.737 31.700 0.014 0.000 0.786 258 D N -0.435 119.943 120.400 -0.036 0.000 2.117 258 D HA -0.202 4.438 4.640 0.001 0.000 0.197 258 D C 1.702 177.936 176.300 -0.109 0.000 0.987 258 D CA 1.290 55.253 54.000 -0.062 0.000 0.829 258 D CB -0.920 39.845 40.800 -0.058 0.000 0.961 258 D HN 0.138 nan 8.370 nan 0.000 0.460 259 Q N -0.158 119.562 119.800 -0.135 0.000 2.137 259 Q HA 0.062 4.403 4.340 0.001 0.000 0.198 259 Q C 2.425 178.304 176.000 -0.202 0.000 0.960 259 Q CA 0.250 55.916 55.803 -0.229 0.000 0.847 259 Q CB -0.419 28.118 28.738 -0.336 0.000 0.915 259 Q HN 0.344 nan 8.270 nan 0.000 0.448 260 L N 0.719 121.853 121.223 -0.149 0.000 2.109 260 L HA 0.013 4.354 4.340 0.001 0.000 0.207 260 L C 2.071 178.837 176.870 -0.173 0.000 1.086 260 L CA 1.701 56.419 54.840 -0.203 0.000 0.760 260 L CB -0.655 41.321 42.059 -0.138 0.000 0.910 260 L HN 0.093 nan 8.230 nan 0.000 0.437 261 A N 0.045 122.798 122.820 -0.111 0.000 1.873 261 A HA -0.225 4.095 4.320 0.001 0.000 0.218 261 A C 2.249 179.770 177.584 -0.104 0.000 1.193 261 A CA 2.254 54.239 52.037 -0.086 0.000 0.629 261 A CB -1.084 17.879 19.000 -0.060 0.000 0.826 261 A HN 0.504 nan 8.150 nan 0.000 0.447 262 L N -1.264 119.882 121.223 -0.127 0.000 2.043 262 L HA -0.217 4.124 4.340 0.001 0.000 0.212 262 L C 2.594 179.383 176.870 -0.135 0.000 1.075 262 L CA 1.453 56.216 54.840 -0.128 0.000 0.752 262 L CB -0.582 41.382 42.059 -0.159 0.000 0.891 262 L HN 0.487 nan 8.230 nan 0.000 0.432 263 L N -0.561 120.552 121.223 -0.183 0.000 2.109 263 L HA -0.099 4.242 4.340 0.001 0.000 0.207 263 L C 2.679 179.455 176.870 -0.155 0.000 1.086 263 L CA 1.563 56.281 54.840 -0.202 0.000 0.760 263 L CB -0.532 41.332 42.059 -0.326 0.000 0.910 263 L HN 0.079 nan 8.230 nan 0.000 0.437 264 R N -0.531 119.882 120.500 -0.146 0.000 2.119 264 R HA -0.030 4.311 4.340 0.001 0.000 0.222 264 R C 2.064 178.340 176.300 -0.040 0.000 1.088 264 R CA 0.854 56.910 56.100 -0.073 0.000 0.984 264 R CB -0.249 30.021 30.300 -0.051 0.000 0.884 264 R HN 0.505 nan 8.270 nan 0.000 0.447 265 E N 0.418 120.589 120.200 -0.048 0.000 2.150 265 E HA -0.141 4.209 4.350 0.001 0.000 0.193 265 E C -0.216 176.365 176.600 -0.031 0.000 0.985 265 E CA 0.862 57.242 56.400 -0.033 0.000 0.814 265 E CB 0.181 29.861 29.700 -0.035 0.000 0.752 265 E HN 0.065 nan 8.360 nan 0.000 0.466 266 D N -1.317 119.056 120.400 -0.044 0.000 2.381 266 D HA 0.131 4.772 4.640 0.001 0.000 0.245 266 D C -2.359 173.918 176.300 -0.039 0.000 1.297 266 D CA -1.868 52.110 54.000 -0.037 0.000 0.931 266 D CB 1.202 41.977 40.800 -0.043 0.000 1.334 266 D HN -0.208 nan 8.370 nan 0.000 0.535 267 P HA -0.054 nan 4.420 nan 0.000 0.230 267 P C 1.267 178.567 177.300 0.001 0.000 1.158 267 P CA 0.605 63.702 63.100 -0.005 0.000 0.769 267 P CB 0.153 31.867 31.700 0.023 0.000 0.807 268 S N -0.977 114.720 115.700 -0.005 0.000 2.547 268 S HA -0.062 4.409 4.470 0.001 0.000 0.235 268 S C 1.523 176.118 174.600 -0.009 0.000 0.980 268 S CA 0.729 58.929 58.200 0.000 0.000 0.941 268 S CB -1.406 61.791 63.200 -0.004 0.000 0.763 268 S HN 0.150 nan 8.310 nan 0.000 0.532 269 L N 0.930 122.135 121.223 -0.030 0.000 2.599 269 L HA 0.136 4.477 4.340 0.001 0.000 0.230 269 L C 2.114 178.962 176.870 -0.036 0.000 1.141 269 L CA -0.082 54.730 54.840 -0.046 0.000 0.877 269 L CB -0.420 41.587 42.059 -0.086 0.000 1.009 269 L HN 0.174 nan 8.230 nan 0.000 0.447 270 V N 0.822 120.734 119.914 -0.004 0.000 2.278 270 V HA -0.324 3.797 4.120 0.001 0.000 0.251 270 V C 2.572 178.699 176.094 0.056 0.000 1.062 270 V CA 2.357 64.678 62.300 0.035 0.000 1.038 270 V CB -1.135 30.751 31.823 0.104 0.000 0.646 270 V HN 0.630 nan 8.190 nan 0.000 0.447 271 G N -1.018 107.818 108.800 0.059 0.000 2.402 271 G HA2 -0.271 3.690 3.960 0.001 0.000 0.216 271 G HA3 -0.271 3.690 3.960 0.001 0.000 0.216 271 G C 1.483 176.425 174.900 0.070 0.000 1.162 271 G CA 0.795 45.944 45.100 0.083 0.000 0.777 271 G HN 0.531 nan 8.290 nan 0.000 0.539 272 N N 0.844 119.562 118.700 0.031 0.000 2.223 272 N HA -0.086 4.655 4.740 0.001 0.000 0.185 272 N C 2.457 177.960 175.510 -0.011 0.000 1.016 272 N CA 0.949 54.006 53.050 0.012 0.000 0.863 272 N CB -0.041 38.434 38.487 -0.020 0.000 0.983 272 N HN 0.283 nan 8.380 nan 0.000 0.429 273 A N 0.408 123.203 122.820 -0.042 0.000 1.929 273 A HA -0.016 4.305 4.320 0.001 0.000 0.216 273 A C 2.378 179.950 177.584 -0.019 0.000 1.176 273 A CA 0.691 52.678 52.037 -0.083 0.000 0.628 273 A CB -0.488 18.425 19.000 -0.144 0.000 0.816 273 A HN 0.142 nan 8.150 nan 0.000 0.444 274 V N 0.499 120.434 119.914 0.035 0.000 2.343 274 V HA -0.221 3.900 4.120 0.001 0.000 0.247 274 V C 2.553 178.719 176.094 0.120 0.000 1.051 274 V CA 2.143 64.513 62.300 0.115 0.000 1.036 274 V CB -0.655 31.295 31.823 0.213 0.000 0.654 274 V HN 0.524 nan 8.190 nan 0.000 0.451 275 E N -0.045 120.235 120.200 0.134 0.000 2.077 275 E HA -0.252 4.098 4.350 0.001 0.000 0.193 275 E C 2.205 178.849 176.600 0.073 0.000 0.989 275 E CA 1.487 57.988 56.400 0.168 0.000 0.800 275 E CB -0.196 29.645 29.700 0.235 0.000 0.746 275 E HN 0.675 nan 8.360 nan 0.000 0.452 276 E N 0.977 121.218 120.200 0.068 0.000 2.152 276 E HA -0.063 4.288 4.350 0.001 0.000 0.192 276 E C 2.161 178.858 176.600 0.163 0.000 0.983 276 E CA 0.438 56.889 56.400 0.085 0.000 0.818 276 E CB -0.258 29.456 29.700 0.022 0.000 0.758 276 E HN 0.176 nan 8.360 nan 0.000 0.467 277 L N -0.050 121.262 121.223 0.148 0.000 2.042 277 L HA -0.184 4.157 4.340 0.001 0.000 0.210 277 L C 2.456 179.367 176.870 0.069 0.000 1.076 277 L CA 1.105 56.010 54.840 0.110 0.000 0.749 277 L CB -0.450 41.633 42.059 0.039 0.000 0.893 277 L HN 0.229 nan 8.230 nan 0.000 0.432 278 L N -0.659 120.540 121.223 -0.040 0.000 2.083 278 L HA -0.204 4.136 4.340 0.001 0.000 0.209 278 L C 2.834 179.562 176.870 -0.237 0.000 1.083 278 L CA 1.138 55.859 54.840 -0.198 0.000 0.752 278 L CB -0.477 41.336 42.059 -0.410 0.000 0.899 278 L HN 0.262 nan 8.230 nan 0.000 0.433 279 R N -0.861 119.502 120.500 -0.227 0.000 2.073 279 R HA -0.202 4.139 4.340 0.001 0.000 0.229 279 R C 2.372 178.708 176.300 0.060 0.000 1.120 279 R CA 1.381 57.415 56.100 -0.110 0.000 0.967 279 R CB -0.304 29.996 30.300 -0.001 0.000 0.862 279 R HN 0.245 nan 8.270 nan 0.000 0.436 280 Y N 0.401 120.706 120.300 0.008 0.000 2.373 280 Y HA 0.007 4.558 4.550 0.001 0.000 0.293 280 Y C 1.522 177.624 175.900 0.336 0.000 1.129 280 Y CA 1.259 59.456 58.100 0.162 0.000 1.226 280 Y CB 0.370 38.897 38.460 0.111 0.000 1.000 280 Y HN 0.050 nan 8.280 nan 0.000 0.549 281 L N -1.607 119.806 121.223 0.317 0.000 2.701 281 L HA 0.163 4.504 4.340 0.001 0.000 0.238 281 L C 0.401 177.451 176.870 0.300 0.000 1.106 281 L CA 0.003 55.037 54.840 0.322 0.000 0.898 281 L CB 0.243 42.474 42.059 0.286 0.000 1.188 281 L HN -0.204 nan 8.230 nan 0.000 0.508 282 T N 1.324 115.985 114.554 0.177 0.000 2.769 282 T HA 0.213 4.563 4.350 0.001 0.000 0.293 282 T C 1.376 176.111 174.700 0.059 0.000 0.931 282 T CA 0.241 62.417 62.100 0.127 0.000 1.139 282 T CB 1.101 69.970 68.868 0.002 0.000 0.881 282 T HN 0.085 nan 8.240 nan 0.000 0.532 283 I N 1.716 122.302 120.570 0.027 0.000 3.081 283 I HA 0.180 4.351 4.170 0.001 0.000 0.274 283 I C 2.014 177.961 176.117 -0.284 0.000 1.178 283 I CA -0.011 61.169 61.300 -0.200 0.000 1.460 283 I CB -0.263 37.476 38.000 -0.435 0.000 1.137 283 I HN 0.868 nan 8.210 nan 0.000 0.443 284 G N 2.159 110.768 108.800 -0.318 0.000 2.283 284 G HA2 -0.295 3.665 3.960 0.001 0.000 0.280 284 G HA3 -0.295 3.665 3.960 0.001 0.000 0.280 284 G C 0.897 175.363 174.900 -0.724 0.000 1.029 284 G CA 0.327 44.951 45.100 -0.793 0.000 0.840 284 G HN 0.277 nan 8.290 nan 0.000 0.505 285 Q N -0.856 118.703 119.800 -0.402 0.000 2.156 285 Q HA -0.244 4.096 4.340 0.001 0.000 0.211 285 Q C 2.401 178.335 176.000 -0.110 0.000 0.995 285 Q CA 2.474 58.164 55.803 -0.188 0.000 0.877 285 Q CB -0.501 28.230 28.738 -0.013 0.000 0.920 285 Q HN 1.143 nan 8.270 nan 0.000 0.416 286 F N -0.829 119.167 119.950 0.076 0.000 2.502 286 F HA 0.246 4.773 4.527 0.001 0.000 0.298 286 F C 1.205 177.149 175.800 0.241 0.000 1.111 286 F CA 0.233 58.341 58.000 0.179 0.000 1.445 286 F CB -0.769 38.317 39.000 0.143 0.000 1.081 286 F HN -0.140 nan 8.300 nan 0.000 0.558 287 G N 0.895 109.576 108.800 -0.198 0.000 2.355 287 G HA2 0.404 4.364 3.960 0.001 0.000 0.276 287 G HA3 0.404 4.364 3.960 0.001 0.000 0.276 287 G C 0.411 175.334 174.900 0.038 0.000 1.198 287 G CA -0.302 44.773 45.100 -0.042 0.000 0.876 287 G HN 0.541 nan 8.290 nan 0.000 0.478 288 G N 1.649 110.553 108.800 0.174 0.000 2.164 288 G HA2 0.053 4.013 3.960 0.001 0.000 0.259 288 G HA3 0.053 4.013 3.960 0.001 0.000 0.259 288 G C 0.436 175.295 174.900 -0.068 0.000 0.894 288 G CA 0.150 45.298 45.100 0.080 0.000 0.961 288 G HN 0.828 nan 8.290 nan 0.000 0.369 289 E N 1.515 121.635 120.200 -0.132 0.000 2.708 289 E HA -0.055 4.295 4.350 0.001 0.000 0.260 289 E C 0.545 177.099 176.600 -0.078 0.000 0.937 289 E CA 0.100 56.417 56.400 -0.139 0.000 0.953 289 E CB 0.415 30.007 29.700 -0.180 0.000 0.915 289 E HN 0.324 nan 8.360 nan 0.000 0.487 290 R N 2.264 122.721 120.500 -0.070 0.000 2.596 290 R HA 0.569 4.909 4.340 0.001 0.000 0.267 290 R C -0.628 175.755 176.300 0.138 0.000 1.026 290 R CA -0.906 55.204 56.100 0.018 0.000 1.087 290 R CB 1.382 31.608 30.300 -0.122 0.000 1.132 290 R HN 0.373 nan 8.270 nan 0.000 0.531 291 V N -0.512 119.584 119.914 0.304 0.000 2.808 291 V HA 0.702 4.822 4.120 0.001 0.000 0.308 291 V C -1.166 175.104 176.094 0.294 0.000 1.099 291 V CA -0.824 61.657 62.300 0.303 0.000 0.920 291 V CB 2.108 34.014 31.823 0.137 0.000 1.014 291 V HN 0.884 nan 8.190 nan 0.000 0.425 292 A N 3.851 126.741 122.820 0.118 0.000 2.309 292 A HA 0.599 4.919 4.320 0.001 0.000 0.290 292 A C 1.148 178.672 177.584 -0.101 0.000 1.206 292 A CA 0.709 52.580 52.037 -0.278 0.000 0.850 292 A CB 0.175 18.934 19.000 -0.401 0.000 1.118 292 A HN 1.899 nan 8.150 nan 0.000 0.523 293 T N 0.004 114.502 114.554 -0.092 0.000 9.749 293 T HA -0.334 4.016 4.350 0.001 0.000 0.394 293 T C 0.389 175.017 174.700 -0.120 0.000 1.620 293 T CA 2.643 64.668 62.100 -0.124 0.000 2.556 293 T CB -1.707 67.073 68.868 -0.146 0.000 2.856 293 T HN 2.312 nan 8.240 nan 0.000 1.165 294 R N -0.291 120.138 120.500 -0.118 0.000 4.370 294 R HA 0.102 4.443 4.340 0.001 0.000 0.219 294 R C -2.598 173.624 176.300 -0.130 0.000 0.873 294 R CA -0.067 55.968 56.100 -0.109 0.000 0.812 294 R CB -0.312 29.916 30.300 -0.120 0.000 1.406 294 R HN 0.037 nan 8.270 nan 0.000 0.492 295 D N 0.634 120.979 120.400 -0.091 0.000 2.313 295 D HA 0.588 5.228 4.640 0.001 0.000 0.247 295 D C -0.247 175.990 176.300 -0.106 0.000 1.094 295 D CA 0.384 54.337 54.000 -0.079 0.000 0.925 295 D CB 1.694 42.472 40.800 -0.036 0.000 1.188 295 D HN 0.642 nan 8.370 nan 0.000 0.430 296 V N -1.797 118.062 119.914 -0.092 0.000 3.077 296 V HA 0.400 4.520 4.120 0.001 0.000 0.299 296 V C -0.654 175.407 176.094 -0.055 0.000 1.276 296 V CA -1.083 61.171 62.300 -0.077 0.000 0.993 296 V CB 2.162 33.920 31.823 -0.109 0.000 1.076 296 V HN 0.328 nan 8.190 nan 0.000 0.434 297 E N 2.249 122.426 120.200 -0.040 0.000 2.146 297 E HA 0.583 4.933 4.350 0.001 0.000 0.282 297 E C -1.471 175.107 176.600 -0.037 0.000 0.989 297 E CA -0.632 55.737 56.400 -0.051 0.000 0.799 297 E CB 2.360 32.040 29.700 -0.033 0.000 1.088 297 E HN 0.614 nan 8.360 nan 0.000 0.397 298 L N 1.574 122.751 121.223 -0.077 0.000 2.341 298 L HA 0.463 4.803 4.340 0.001 0.000 0.278 298 L C 0.616 177.437 176.870 -0.082 0.000 1.005 298 L CA 0.313 55.116 54.840 -0.061 0.000 0.818 298 L CB 1.568 43.571 42.059 -0.093 0.000 1.259 298 L HN 0.686 nan 8.230 nan 0.000 0.418 299 G N 3.403 112.175 108.800 -0.047 0.000 2.341 299 G HA2 -0.100 3.860 3.960 0.001 0.000 0.292 299 G HA3 -0.100 3.860 3.960 0.001 0.000 0.292 299 G C 0.991 175.868 174.900 -0.038 0.000 1.021 299 G CA 0.648 45.726 45.100 -0.037 0.000 0.905 299 G HN 2.067 nan 8.290 nan 0.000 0.508 300 G N -2.951 105.827 108.800 -0.035 0.000 2.269 300 G HA2 -0.020 3.940 3.960 0.001 0.000 0.277 300 G HA3 -0.020 3.940 3.960 0.001 0.000 0.277 300 G C 0.361 175.230 174.900 -0.051 0.000 1.008 300 G CA 0.845 45.926 45.100 -0.031 0.000 0.774 300 G HN 1.699 nan 8.290 nan 0.000 0.511 301 V N 0.315 120.167 119.914 -0.105 0.000 2.555 301 V HA 0.547 4.667 4.120 0.001 0.000 0.302 301 V C 0.620 176.574 176.094 -0.233 0.000 1.038 301 V CA -1.342 60.864 62.300 -0.156 0.000 0.887 301 V CB 1.927 33.626 31.823 -0.206 0.000 0.991 301 V HN 0.258 nan 8.190 nan 0.000 0.434 302 R N 4.100 124.513 120.500 -0.145 0.000 2.242 302 R HA 0.370 4.711 4.340 0.001 0.000 0.334 302 R C -0.949 175.273 176.300 -0.130 0.000 1.071 302 R CA -0.408 55.637 56.100 -0.092 0.000 0.922 302 R CB 0.566 30.868 30.300 0.004 0.000 1.023 302 R HN 0.449 nan 8.270 nan 0.000 0.458 303 I N 3.540 123.997 120.570 -0.187 0.000 2.297 303 I HA 0.206 4.377 4.170 0.001 0.000 0.291 303 I C 0.742 176.882 176.117 0.039 0.000 1.033 303 I CA -0.992 60.222 61.300 -0.144 0.000 1.253 303 I CB 0.743 38.644 38.000 -0.166 0.000 1.396 303 I HN 0.441 nan 8.210 nan 0.000 0.476 304 A N 6.992 129.912 122.820 0.167 0.000 2.388 304 A HA 0.331 4.651 4.320 0.001 0.000 0.257 304 A C 0.448 178.092 177.584 0.099 0.000 1.095 304 A CA -0.587 51.521 52.037 0.119 0.000 0.791 304 A CB 0.221 19.303 19.000 0.138 0.000 1.029 304 A HN 0.750 nan 8.150 nan 0.000 0.489 305 K N 1.780 122.200 120.400 0.033 0.000 2.368 305 K HA 0.426 4.746 4.320 0.001 0.000 0.282 305 K C 0.282 176.906 176.600 0.041 0.000 1.035 305 K CA 0.498 56.790 56.287 0.008 0.000 0.973 305 K CB 0.833 33.315 32.500 -0.031 0.000 0.957 305 K HN 0.554 nan 8.250 nan 0.000 0.474 306 G N 4.008 112.841 108.800 0.055 0.000 4.373 306 G HA2 0.132 4.093 3.960 0.001 0.000 0.337 306 G HA3 0.132 4.093 3.960 0.001 0.000 0.337 306 G C -0.850 174.117 174.900 0.112 0.000 1.442 306 G CA -0.633 44.509 45.100 0.070 0.000 1.150 306 G HN 0.763 nan 8.290 nan 0.000 0.517 307 E N 0.718 121.023 120.200 0.176 0.000 2.392 307 E HA 0.189 4.539 4.350 0.001 0.000 0.259 307 E C 0.125 176.888 176.600 0.272 0.000 1.108 307 E CA 0.021 56.563 56.400 0.237 0.000 0.916 307 E CB 1.061 31.000 29.700 0.399 0.000 0.989 307 E HN 0.474 nan 8.360 nan 0.000 0.432 308 Q N 0.539 120.475 119.800 0.226 0.000 2.214 308 Q HA 0.515 4.855 4.340 0.001 0.000 0.251 308 Q C -0.963 175.168 176.000 0.218 0.000 0.936 308 Q CA -0.729 55.168 55.803 0.158 0.000 0.894 308 Q CB 1.954 30.711 28.738 0.033 0.000 1.252 308 Q HN 0.197 nan 8.270 nan 0.000 0.448 309 V N 1.659 121.637 119.914 0.107 0.000 2.623 309 V HA 0.310 4.431 4.120 0.001 0.000 0.304 309 V C -0.710 175.350 176.094 -0.057 0.000 1.054 309 V CA -0.822 61.520 62.300 0.069 0.000 0.882 309 V CB 2.019 33.788 31.823 -0.089 0.000 1.002 309 V HN 0.525 nan 8.190 nan 0.000 0.424 310 V N 3.897 123.794 119.914 -0.030 0.000 2.334 310 V HA 0.644 4.764 4.120 0.001 0.000 0.281 310 V C 0.617 176.715 176.094 0.006 0.000 1.016 310 V CA -0.569 61.683 62.300 -0.081 0.000 0.832 310 V CB 1.635 33.349 31.823 -0.182 0.000 0.999 310 V HN 0.995 nan 8.190 nan 0.000 0.439 311 A N 3.420 126.207 122.820 -0.055 0.000 2.395 311 A HA 0.356 4.676 4.320 0.001 0.000 0.286 311 A C -0.076 177.504 177.584 -0.006 0.000 1.193 311 A CA -0.051 51.962 52.037 -0.040 0.000 0.852 311 A CB -0.587 18.359 19.000 -0.089 0.000 1.118 311 A HN 0.965 nan 8.150 nan 0.000 0.524 312 H N 2.954 122.008 119.070 -0.028 0.000 2.908 312 H HA 0.291 4.847 4.556 0.001 0.000 0.269 312 H C 1.215 176.524 175.328 -0.033 0.000 1.303 312 H CA 0.442 56.475 56.048 -0.026 0.000 1.341 312 H CB 0.964 30.727 29.762 0.003 0.000 1.519 312 H HN 0.515 nan 8.280 nan 0.000 0.505 313 V N 3.631 123.502 119.914 -0.073 0.000 2.548 313 V HA -0.153 3.968 4.120 0.001 0.000 0.249 313 V C 1.961 178.100 176.094 0.075 0.000 1.055 313 V CA 1.273 63.566 62.300 -0.011 0.000 1.065 313 V CB -0.563 31.228 31.823 -0.054 0.000 0.681 313 V HN 0.718 nan 8.190 nan 0.000 0.462 314 L N 0.487 121.736 121.223 0.044 0.000 2.013 314 L HA -0.164 4.177 4.340 0.001 0.000 0.212 314 L C 2.868 179.924 176.870 0.311 0.000 1.073 314 L CA 2.417 57.358 54.840 0.168 0.000 0.753 314 L CB -0.845 41.252 42.059 0.063 0.000 0.890 314 L HN 0.500 nan 8.230 nan 0.000 0.432 315 A N -0.604 122.457 122.820 0.402 0.000 1.933 315 A HA -0.157 4.163 4.320 0.001 0.000 0.218 315 A C 2.361 180.083 177.584 0.230 0.000 1.175 315 A CA 1.639 53.802 52.037 0.209 0.000 0.628 315 A CB -0.605 18.405 19.000 0.017 0.000 0.814 315 A HN 0.550 nan 8.150 nan 0.000 0.444 316 A N -0.652 122.288 122.820 0.199 0.000 1.968 316 A HA -0.073 4.248 4.320 0.001 0.000 0.217 316 A C 1.633 179.365 177.584 0.245 0.000 1.169 316 A CA 1.550 53.690 52.037 0.172 0.000 0.638 316 A CB -0.341 18.693 19.000 0.056 0.000 0.812 316 A HN 0.379 nan 8.150 nan 0.000 0.446 317 D N -1.508 119.046 120.400 0.257 0.000 2.363 317 D HA 0.052 4.692 4.640 0.001 0.000 0.220 317 D C 0.030 176.430 176.300 0.166 0.000 0.994 317 D CA 0.644 54.793 54.000 0.249 0.000 0.890 317 D CB -0.103 40.822 40.800 0.208 0.000 0.906 317 D HN 0.494 nan 8.370 nan 0.000 0.530 318 F N 0.303 120.340 119.950 0.144 0.000 2.772 318 F HA 0.123 4.651 4.527 0.001 0.000 0.302 318 F C 0.595 176.452 175.800 0.095 0.000 1.136 318 F CA -0.768 57.285 58.000 0.089 0.000 1.322 318 F CB 0.626 39.626 39.000 -0.001 0.000 0.967 318 F HN -0.317 nan 8.300 nan 0.000 0.513 319 D N 2.413 122.970 120.400 0.261 0.000 2.317 319 D HA 0.120 4.760 4.640 0.001 0.000 0.252 319 D C -1.698 174.686 176.300 0.140 0.000 1.174 319 D CA -2.358 51.759 54.000 0.195 0.000 0.866 319 D CB 1.704 42.632 40.800 0.213 0.000 1.127 319 D HN 0.006 nan 8.370 nan 0.000 0.467 320 P HA -0.014 nan 4.420 nan 0.000 0.234 320 P C 0.753 178.067 177.300 0.025 0.000 1.167 320 P CA 0.379 63.506 63.100 0.044 0.000 0.763 320 P CB 0.198 31.921 31.700 0.039 0.000 0.835 321 A N -1.199 121.655 122.820 0.056 0.000 2.119 321 A HA -0.066 4.254 4.320 0.001 0.000 0.216 321 A C 1.830 179.436 177.584 0.037 0.000 1.152 321 A CA 0.627 52.692 52.037 0.046 0.000 0.708 321 A CB -1.299 17.747 19.000 0.076 0.000 0.805 321 A HN 0.198 nan 8.150 nan 0.000 0.460 322 F N 0.533 120.372 119.950 -0.185 0.000 2.243 322 F HA 0.277 4.805 4.527 0.001 0.000 0.287 322 F C 0.501 176.135 175.800 -0.277 0.000 1.067 322 F CA 1.003 58.758 58.000 -0.408 0.000 1.304 322 F CB 0.124 38.662 39.000 -0.770 0.000 1.087 322 F HN 0.100 nan 8.300 nan 0.000 0.513 323 V N -0.745 118.924 119.914 -0.408 0.000 2.962 323 V HA 0.492 4.612 4.120 0.001 0.000 0.313 323 V C -0.638 175.322 176.094 -0.222 0.000 1.099 323 V CA -1.215 60.796 62.300 -0.481 0.000 0.971 323 V CB 1.358 32.785 31.823 -0.660 0.000 1.028 323 V HN 0.121 nan 8.190 nan 0.000 0.430 324 E N 1.055 121.147 120.200 -0.181 0.000 2.392 324 E HA 0.233 4.583 4.350 0.001 0.000 0.264 324 E C 0.100 176.660 176.600 -0.067 0.000 1.024 324 E CA 0.718 57.057 56.400 -0.101 0.000 0.903 324 E CB 0.231 29.878 29.700 -0.089 0.000 0.963 324 E HN 0.891 nan 8.360 nan 0.000 0.432 325 E N 2.346 122.533 120.200 -0.023 0.000 2.210 325 E HA -0.195 4.155 4.350 0.001 0.000 0.201 325 E C -1.784 174.838 176.600 0.036 0.000 1.339 325 E CA 0.009 56.417 56.400 0.014 0.000 0.699 325 E CB -0.307 29.396 29.700 0.006 0.000 1.126 325 E HN 0.456 nan 8.360 nan 0.000 0.355 326 P HA -0.165 nan 4.420 nan 0.000 0.225 326 P C 0.548 177.912 177.300 0.107 0.000 1.148 326 P CA 1.125 64.219 63.100 -0.010 0.000 0.779 326 P CB 0.254 31.965 31.700 0.019 0.000 0.780 327 E N -0.746 119.618 120.200 0.272 0.000 2.474 327 E HA 0.048 4.399 4.350 0.001 0.000 0.194 327 E C 0.473 177.350 176.600 0.463 0.000 1.041 327 E CA -0.167 56.496 56.400 0.439 0.000 0.874 327 E CB -0.016 29.865 29.700 0.301 0.000 0.914 327 E HN 0.278 nan 8.360 nan 0.000 0.498 328 R N 0.959 121.631 120.500 0.287 0.000 2.442 328 R HA 0.099 4.440 4.340 0.001 0.000 0.291 328 R C -0.466 175.986 176.300 0.253 0.000 1.069 328 R CA -0.220 56.010 56.100 0.217 0.000 1.022 328 R CB 0.325 30.669 30.300 0.073 0.000 0.976 328 R HN -0.050 nan 8.270 nan 0.000 0.443 329 F N 3.758 123.650 119.950 -0.097 0.000 2.371 329 F HA 0.247 4.774 4.527 0.001 0.000 0.363 329 F C -0.732 174.920 175.800 -0.247 0.000 1.122 329 F CA -1.246 56.501 58.000 -0.423 0.000 1.129 329 F CB 0.776 39.284 39.000 -0.819 0.000 1.173 329 F HN 0.367 nan 8.300 nan 0.000 0.489 330 D N 7.108 127.178 120.400 -0.550 0.000 2.386 330 D HA 0.134 4.775 4.640 0.001 0.000 0.247 330 D C 0.827 176.834 176.300 -0.488 0.000 1.336 330 D CA -0.346 53.367 54.000 -0.478 0.000 0.976 330 D CB 0.624 41.283 40.800 -0.236 0.000 1.257 330 D HN 0.647 nan 8.370 nan 0.000 0.570 331 I N 1.151 121.353 120.570 -0.613 0.000 3.241 331 I HA -0.018 4.152 4.170 0.001 0.000 0.280 331 I C 0.953 176.928 176.117 -0.237 0.000 1.320 331 I CA 0.902 61.964 61.300 -0.396 0.000 1.413 331 I CB -0.454 37.316 38.000 -0.384 0.000 1.060 331 I HN 0.227 nan 8.210 nan 0.000 0.500 332 T N -2.116 112.308 114.554 -0.218 0.000 3.105 332 T HA 0.292 4.643 4.350 0.001 0.000 0.253 332 T C 0.795 175.420 174.700 -0.124 0.000 1.047 332 T CA -0.522 61.490 62.100 -0.148 0.000 0.944 332 T CB -0.196 68.593 68.868 -0.131 0.000 1.016 332 T HN 0.344 nan 8.240 nan 0.000 0.544 333 R N 1.893 122.313 120.500 -0.133 0.000 2.640 333 R HA 0.250 4.590 4.340 0.001 0.000 0.270 333 R C 0.609 176.855 176.300 -0.090 0.000 1.024 333 R CA -0.461 55.568 56.100 -0.118 0.000 1.085 333 R CB 0.400 30.621 30.300 -0.131 0.000 0.963 333 R HN 0.334 nan 8.270 nan 0.000 0.426 334 R N 3.016 123.463 120.500 -0.089 0.000 2.644 334 R HA -0.064 4.277 4.340 0.001 0.000 0.265 334 R C -1.918 174.352 176.300 -0.051 0.000 0.985 334 R CA -0.699 55.360 56.100 -0.067 0.000 1.097 334 R CB 0.146 30.398 30.300 -0.080 0.000 0.931 334 R HN 0.348 nan 8.270 nan 0.000 0.419 335 P HA 0.071 nan 4.420 nan 0.000 0.264 335 P C -1.459 175.849 177.300 0.013 0.000 1.193 335 P CA 0.284 63.394 63.100 0.017 0.000 0.763 335 P CB 1.271 32.989 31.700 0.030 0.000 0.810 336 A N 4.557 127.408 122.820 0.052 0.000 2.566 336 A HA 0.724 5.044 4.320 0.001 0.000 0.292 336 A C -2.766 174.946 177.584 0.214 0.000 1.112 336 A CA -1.471 50.625 52.037 0.098 0.000 0.707 336 A CB 0.805 19.776 19.000 -0.050 0.000 1.302 336 A HN 0.328 nan 8.150 nan 0.000 0.409 337 P HA 0.357 nan 4.420 nan 0.000 0.266 337 P C -0.664 176.702 177.300 0.108 0.000 1.586 337 P CA 0.193 63.348 63.100 0.091 0.000 1.088 337 P CB -0.373 31.378 31.700 0.085 0.000 1.584 338 H N 0.707 119.951 119.070 0.290 0.000 2.548 338 H HA 0.354 4.911 4.556 0.001 0.000 0.366 338 H C 0.312 175.680 175.328 0.068 0.000 1.433 338 H CA -0.830 55.328 56.048 0.183 0.000 1.443 338 H CB 0.365 30.272 29.762 0.243 0.000 1.594 338 H HN 0.149 nan 8.280 nan 0.000 0.608 339 L N 0.309 121.677 121.223 0.242 0.000 3.017 339 L HA 0.351 4.691 4.340 0.001 0.000 0.255 339 L C 1.655 178.657 176.870 0.220 0.000 1.247 339 L CA 0.065 54.987 54.840 0.138 0.000 1.038 339 L CB 0.004 42.036 42.059 -0.044 0.000 1.380 339 L HN 0.895 nan 8.230 nan 0.000 0.548 340 A N -0.225 122.794 122.820 0.332 0.000 2.070 340 A HA -0.084 4.236 4.320 0.001 0.000 0.220 340 A C 1.377 178.950 177.584 -0.019 0.000 1.159 340 A CA 1.341 53.368 52.037 -0.017 0.000 0.656 340 A CB -0.369 18.412 19.000 -0.364 0.000 0.800 340 A HN 0.408 nan 8.150 nan 0.000 0.453 341 F N -0.265 119.848 119.950 0.272 0.000 2.639 341 F HA 0.435 4.962 4.527 0.001 0.000 0.300 341 F C 1.603 177.519 175.800 0.193 0.000 1.109 341 F CA 0.048 58.186 58.000 0.230 0.000 1.335 341 F CB -0.444 38.692 39.000 0.227 0.000 1.014 341 F HN 0.401 nan 8.300 nan 0.000 0.537 342 G N 0.976 109.954 108.800 0.297 0.000 2.645 342 G HA2 -0.262 3.698 3.960 0.001 0.000 0.246 342 G HA3 -0.262 3.698 3.960 0.001 0.000 0.246 342 G C -0.836 174.258 174.900 0.324 0.000 1.322 342 G CA -0.119 45.118 45.100 0.229 0.000 0.898 342 G HN 0.346 nan 8.290 nan 0.000 0.573 343 F N -0.718 119.268 119.950 0.060 0.000 2.725 343 F HA 0.553 5.080 4.527 0.001 0.000 0.309 343 F C 0.748 176.572 175.800 0.040 0.000 1.132 343 F CA 1.162 59.181 58.000 0.030 0.000 0.957 343 F CB 1.138 40.117 39.000 -0.036 0.000 1.286 343 F HN 2.497 nan 8.300 nan 0.000 0.440 344 G N 1.984 110.451 108.800 -0.555 0.000 2.542 344 G HA2 0.012 3.973 3.960 0.001 0.000 0.235 344 G HA3 0.012 3.973 3.960 0.001 0.000 0.235 344 G C 0.712 175.532 174.900 -0.133 0.000 1.286 344 G CA -0.091 44.797 45.100 -0.353 0.000 0.904 344 G HN 1.764 nan 8.290 nan 0.000 0.577 345 A N -1.814 120.963 122.820 -0.071 0.000 1.986 345 A HA -0.045 4.275 4.320 0.001 0.000 0.220 345 A C 1.804 179.361 177.584 -0.046 0.000 1.171 345 A CA 2.485 54.490 52.037 -0.053 0.000 0.640 345 A CB -0.489 18.453 19.000 -0.096 0.000 0.811 345 A HN 0.830 nan 8.150 nan 0.000 0.451 346 H N -1.245 117.837 119.070 0.021 0.000 2.586 346 H HA 0.144 4.701 4.556 0.001 0.000 0.273 346 H C 0.604 175.988 175.328 0.093 0.000 0.997 346 H CA 0.050 56.124 56.048 0.044 0.000 1.177 346 H CB -0.031 29.701 29.762 -0.050 0.000 1.471 346 H HN 0.709 nan 8.280 nan 0.000 0.538 347 Q N 1.270 121.170 119.800 0.167 0.000 2.368 347 Q HA -0.092 4.248 4.340 0.001 0.000 0.331 347 Q C 0.018 176.121 176.000 0.171 0.000 1.086 347 Q CA 0.010 55.916 55.803 0.172 0.000 1.031 347 Q CB 0.469 29.272 28.738 0.109 0.000 1.125 347 Q HN 0.363 nan 8.270 nan 0.000 0.389 348 C N 5.946 125.377 119.300 0.218 0.000 2.271 348 C HA -0.103 4.357 4.460 0.001 0.000 0.397 348 C C 1.751 176.797 174.990 0.094 0.000 1.533 348 C CA 0.164 59.300 59.018 0.196 0.000 1.433 348 C CB -1.467 26.451 27.740 0.296 0.000 2.511 348 C HN 0.999 nan 8.230 nan 0.000 0.610 349 I N 4.675 125.321 120.570 0.125 0.000 3.444 349 I HA 0.134 4.305 4.170 0.001 0.000 0.287 349 I C 1.812 178.034 176.117 0.175 0.000 1.302 349 I CA 1.260 62.639 61.300 0.131 0.000 1.368 349 I CB -0.095 38.022 38.000 0.195 0.000 1.048 349 I HN 0.900 nan 8.210 nan 0.000 0.487 350 G N 0.352 109.247 108.800 0.158 0.000 3.337 350 G HA2 -0.007 3.953 3.960 0.001 0.000 0.246 350 G HA3 -0.007 3.953 3.960 0.001 0.000 0.246 350 G C 1.170 176.044 174.900 -0.043 0.000 1.131 350 G CA -0.057 45.147 45.100 0.173 0.000 0.773 350 G HN 0.573 nan 8.290 nan 0.000 0.544 351 Q N -0.119 119.507 119.800 -0.290 0.000 2.224 351 Q HA -0.146 4.194 4.340 0.001 0.000 0.203 351 Q C 2.068 177.824 176.000 -0.407 0.000 0.970 351 Q CA 1.399 56.703 55.803 -0.831 0.000 0.865 351 Q CB -0.221 27.566 28.738 -1.585 0.000 0.922 351 Q HN 0.494 nan 8.270 nan 0.000 0.445 352 Q N 1.044 120.703 119.800 -0.235 0.000 2.187 352 Q HA -0.095 4.245 4.340 0.001 0.000 0.199 352 Q C 1.890 177.848 176.000 -0.070 0.000 0.957 352 Q CA 0.722 56.443 55.803 -0.136 0.000 0.857 352 Q CB -0.086 28.570 28.738 -0.137 0.000 0.929 352 Q HN 0.400 nan 8.270 nan 0.000 0.453 353 L N 0.254 121.445 121.223 -0.053 0.000 2.141 353 L HA 0.117 4.457 4.340 0.001 0.000 0.209 353 L C 2.072 178.966 176.870 0.039 0.000 1.094 353 L CA 2.014 56.855 54.840 0.001 0.000 0.763 353 L CB -0.982 41.112 42.059 0.058 0.000 0.908 353 L HN 0.301 nan 8.230 nan 0.000 0.437 354 A N -0.624 122.240 122.820 0.074 0.000 1.929 354 A HA -0.152 4.168 4.320 0.001 0.000 0.216 354 A C 2.439 180.133 177.584 0.184 0.000 1.176 354 A CA 1.443 53.578 52.037 0.164 0.000 0.628 354 A CB -0.405 18.804 19.000 0.349 0.000 0.816 354 A HN 0.461 nan 8.150 nan 0.000 0.444 355 R N -0.700 119.902 120.500 0.171 0.000 2.093 355 R HA 0.137 4.478 4.340 0.001 0.000 0.224 355 R C 1.911 178.283 176.300 0.121 0.000 1.101 355 R CA 1.280 57.498 56.100 0.196 0.000 0.979 355 R CB -0.287 30.111 30.300 0.164 0.000 0.877 355 R HN 0.527 nan 8.270 nan 0.000 0.441 356 I N 0.816 121.425 120.570 0.064 0.000 2.353 356 I HA -0.204 3.966 4.170 0.001 0.000 0.248 356 I C 1.838 177.974 176.117 0.031 0.000 1.119 356 I CA 1.238 62.564 61.300 0.043 0.000 1.417 356 I CB -0.195 37.812 38.000 0.011 0.000 1.078 356 I HN 0.227 nan 8.210 nan 0.000 0.421 357 E N 1.084 121.291 120.200 0.012 0.000 2.058 357 E HA -0.238 4.113 4.350 0.001 0.000 0.194 357 E C 2.294 178.871 176.600 -0.037 0.000 0.997 357 E CA 1.283 57.662 56.400 -0.035 0.000 0.801 357 E CB -0.271 29.381 29.700 -0.080 0.000 0.746 357 E HN 0.461 nan 8.360 nan 0.000 0.450 358 L N 1.048 122.289 121.223 0.030 0.000 2.079 358 L HA -0.234 4.106 4.340 0.001 0.000 0.210 358 L C 2.772 179.738 176.870 0.161 0.000 1.081 358 L CA 1.081 55.957 54.840 0.059 0.000 0.752 358 L CB -0.505 41.703 42.059 0.249 0.000 0.896 358 L HN 0.168 nan 8.230 nan 0.000 0.433 359 Q N 0.118 120.020 119.800 0.169 0.000 2.020 359 Q HA -0.200 4.141 4.340 0.001 0.000 0.202 359 Q C 2.397 178.480 176.000 0.138 0.000 0.982 359 Q CA 1.782 57.695 55.803 0.183 0.000 0.838 359 Q CB -0.185 28.628 28.738 0.125 0.000 0.899 359 Q HN 0.562 nan 8.270 nan 0.000 0.423 360 I N -0.000 120.609 120.570 0.065 0.000 2.315 360 I HA -0.241 3.930 4.170 0.001 0.000 0.248 360 I C 2.350 178.483 176.117 0.026 0.000 1.117 360 I CA 0.538 61.863 61.300 0.042 0.000 1.404 360 I CB -0.208 37.797 38.000 0.007 0.000 1.071 360 I HN -0.010 nan 8.210 nan 0.000 0.419 361 V N 0.714 120.592 119.914 -0.059 0.000 2.255 361 V HA -0.310 3.810 4.120 0.001 0.000 0.247 361 V C 2.177 178.228 176.094 -0.072 0.000 1.051 361 V CA 2.211 64.433 62.300 -0.129 0.000 1.018 361 V CB -0.653 30.919 31.823 -0.418 0.000 0.641 361 V HN 0.289 nan 8.190 nan 0.000 0.445 362 F N -0.415 119.622 119.950 0.146 0.000 2.293 362 F HA -0.053 4.475 4.527 0.001 0.000 0.297 362 F C 2.571 178.517 175.800 0.243 0.000 1.089 362 F CA 1.270 59.403 58.000 0.222 0.000 1.377 362 F CB -0.236 38.945 39.000 0.301 0.000 1.051 362 F HN 0.113 nan 8.300 nan 0.000 0.511 363 E N 0.499 120.891 120.200 0.319 0.000 2.106 363 E HA -0.148 4.203 4.350 0.001 0.000 0.192 363 E C 1.865 178.560 176.600 0.159 0.000 0.984 363 E CA 1.738 58.272 56.400 0.223 0.000 0.806 363 E CB -0.176 29.611 29.700 0.144 0.000 0.750 363 E HN 0.282 nan 8.360 nan 0.000 0.458 364 T N 1.696 116.310 114.554 0.099 0.000 2.852 364 T HA 0.020 4.371 4.350 0.001 0.000 0.256 364 T C 2.017 176.693 174.700 -0.039 0.000 1.038 364 T CA 0.471 62.591 62.100 0.033 0.000 1.141 364 T CB -0.219 68.667 68.868 0.030 0.000 0.869 364 T HN 0.112 nan 8.240 nan 0.000 0.439 365 L N 0.054 121.220 121.223 -0.095 0.000 2.013 365 L HA -0.119 4.221 4.340 0.001 0.000 0.212 365 L C 2.111 178.781 176.870 -0.333 0.000 1.073 365 L CA 1.828 56.453 54.840 -0.358 0.000 0.753 365 L CB -0.343 41.380 42.059 -0.561 0.000 0.890 365 L HN 0.285 nan 8.230 nan 0.000 0.432 366 F N -0.837 119.105 119.950 -0.014 0.000 2.407 366 F HA -0.126 4.402 4.527 0.001 0.000 0.299 366 F C 2.682 178.463 175.800 -0.030 0.000 1.097 366 F CA 0.869 58.859 58.000 -0.017 0.000 1.422 366 F CB -0.234 38.783 39.000 0.029 0.000 1.067 366 F HN 0.042 nan 8.300 nan 0.000 0.539 367 R N 0.389 120.954 120.500 0.109 0.000 2.093 367 R HA 0.010 4.350 4.340 0.001 0.000 0.224 367 R C 2.124 178.422 176.300 -0.004 0.000 1.101 367 R CA 0.935 57.071 56.100 0.061 0.000 0.979 367 R CB 0.005 30.334 30.300 0.048 0.000 0.877 367 R HN 0.023 nan 8.270 nan 0.000 0.441 368 R N -0.052 120.399 120.500 -0.081 0.000 2.280 368 R HA 0.183 4.523 4.340 0.001 0.000 0.195 368 R C 0.024 176.186 176.300 -0.230 0.000 0.935 368 R CA 0.342 56.361 56.100 -0.135 0.000 1.033 368 R CB 0.514 30.712 30.300 -0.170 0.000 0.964 368 R HN 0.223 nan 8.270 nan 0.000 0.489 369 L N 2.994 124.047 121.223 -0.283 0.000 2.495 369 L HA 0.341 4.681 4.340 0.001 0.000 0.248 369 L C -2.393 174.410 176.870 -0.112 0.000 1.229 369 L CA -1.825 52.743 54.840 -0.453 0.000 0.942 369 L CB 1.710 43.271 42.059 -0.829 0.000 1.242 369 L HN -0.258 nan 8.230 nan 0.000 0.484 370 P HA 0.117 nan 4.420 nan 0.000 0.268 370 P C 0.925 178.299 177.300 0.124 0.000 1.205 370 P CA 0.703 63.892 63.100 0.149 0.000 0.771 370 P CB 1.311 33.146 31.700 0.224 0.000 0.858 371 G N 1.190 110.000 108.800 0.017 0.000 2.157 371 G HA2 -0.263 3.698 3.960 0.001 0.000 0.248 371 G HA3 -0.263 3.698 3.960 0.001 0.000 0.248 371 G C -0.083 174.733 174.900 -0.139 0.000 0.979 371 G CA -0.098 44.776 45.100 -0.376 0.000 0.650 371 G HN 0.610 nan 8.290 nan 0.000 0.529 372 L N 1.749 123.001 121.223 0.049 0.000 2.578 372 L HA 0.537 4.877 4.340 0.001 0.000 0.279 372 L C 0.950 177.884 176.870 0.107 0.000 1.227 372 L CA 0.892 55.793 54.840 0.101 0.000 0.900 372 L CB 0.143 42.222 42.059 0.032 0.000 1.144 372 L HN 0.614 nan 8.230 nan 0.000 0.496 373 R N 3.612 124.176 120.500 0.107 0.000 2.766 373 R HA 0.562 4.902 4.340 0.001 0.000 0.270 373 R C -1.401 174.962 176.300 0.104 0.000 1.035 373 R CA -1.199 54.959 56.100 0.098 0.000 0.911 373 R CB 0.635 30.973 30.300 0.064 0.000 1.243 373 R HN 0.473 nan 8.270 nan 0.000 0.460 374 L N 0.771 122.055 121.223 0.101 0.000 2.436 374 L HA 0.335 4.675 4.340 0.001 0.000 0.265 374 L C 1.353 178.273 176.870 0.083 0.000 1.168 374 L CA 0.015 54.915 54.840 0.100 0.000 0.815 374 L CB 1.287 43.413 42.059 0.110 0.000 1.109 374 L HN 1.003 nan 8.230 nan 0.000 0.462 375 A N 1.315 124.180 122.820 0.075 0.000 2.030 375 A HA 0.115 4.435 4.320 0.001 0.000 0.215 375 A C 0.681 178.295 177.584 0.050 0.000 1.164 375 A CA 0.925 52.996 52.037 0.056 0.000 0.697 375 A CB 0.092 19.124 19.000 0.052 0.000 0.827 375 A HN 0.486 nan 8.150 nan 0.000 0.457 376 K N -0.127 120.308 120.400 0.059 0.000 2.385 376 K HA 0.578 4.898 4.320 0.001 0.000 0.248 376 K C -3.172 173.470 176.600 0.069 0.000 0.955 376 K CA -2.712 53.608 56.287 0.055 0.000 0.816 376 K CB 1.244 33.773 32.500 0.049 0.000 1.250 376 K HN -0.064 nan 8.250 nan 0.000 0.434 377 P HA 0.087 nan 4.420 nan 0.000 0.274 377 P C 0.932 178.294 177.300 0.102 0.000 1.231 377 P CA -0.586 62.563 63.100 0.082 0.000 0.790 377 P CB 0.501 32.242 31.700 0.069 0.000 0.951 378 V N 0.441 120.433 119.914 0.131 0.000 2.469 378 V HA -0.237 3.883 4.120 0.001 0.000 0.251 378 V C 1.913 178.108 176.094 0.170 0.000 1.064 378 V CA 1.949 64.356 62.300 0.178 0.000 1.066 378 V CB -1.590 30.371 31.823 0.230 0.000 0.667 378 V HN 0.619 nan 8.190 nan 0.000 0.461 379 E N 1.332 121.610 120.200 0.130 0.000 2.401 379 E HA -0.245 4.105 4.350 0.001 0.000 0.199 379 E C 1.662 178.327 176.600 0.108 0.000 1.023 379 E CA 1.417 57.887 56.400 0.116 0.000 0.859 379 E CB -0.423 29.328 29.700 0.085 0.000 0.780 379 E HN 0.781 nan 8.360 nan 0.000 0.523 380 E N 0.539 120.795 120.200 0.095 0.000 2.371 380 E HA 0.118 4.469 4.350 0.001 0.000 0.194 380 E C 0.492 177.130 176.600 0.063 0.000 1.012 380 E CA -0.190 56.253 56.400 0.072 0.000 0.860 380 E CB 0.140 29.873 29.700 0.055 0.000 0.811 380 E HN 0.247 nan 8.360 nan 0.000 0.502 381 L N 1.724 122.987 121.223 0.066 0.000 2.483 381 L HA 0.085 4.426 4.340 0.001 0.000 0.276 381 L C 0.446 177.289 176.870 -0.045 0.000 1.213 381 L CA 0.380 55.196 54.840 -0.040 0.000 0.843 381 L CB 0.272 42.251 42.059 -0.135 0.000 1.107 381 L HN -0.074 nan 8.230 nan 0.000 0.487 382 R N 2.452 122.889 120.500 -0.105 0.000 2.295 382 R HA 0.475 4.816 4.340 0.001 0.000 0.324 382 R C -1.098 175.088 176.300 -0.190 0.000 0.968 382 R CA -0.435 55.664 56.100 -0.000 0.000 0.837 382 R CB 1.082 31.453 30.300 0.119 0.000 1.133 382 R HN 0.272 nan 8.270 nan 0.000 0.450 383 F N 1.370 121.332 119.950 0.020 0.000 2.432 383 F HA 0.527 5.055 4.527 0.001 0.000 0.329 383 F C 0.880 176.630 175.800 -0.082 0.000 1.076 383 F CA -0.619 57.315 58.000 -0.110 0.000 1.018 383 F CB 1.123 40.011 39.000 -0.187 0.000 1.201 383 F HN 0.101 nan 8.300 nan 0.000 0.489 384 R N 0.753 121.290 120.500 0.060 0.000 2.744 384 R HA 0.323 4.663 4.340 0.001 0.000 0.279 384 R C -0.736 175.590 176.300 0.043 0.000 0.977 384 R CA -0.539 55.661 56.100 0.167 0.000 0.906 384 R CB 1.518 32.050 30.300 0.387 0.000 1.197 384 R HN 0.760 nan 8.270 nan 0.000 0.463 385 H N 0.278 119.495 119.070 0.245 0.000 2.767 385 H HA 0.146 4.703 4.556 0.001 0.000 0.260 385 H C -0.490 174.833 175.328 -0.010 0.000 1.172 385 H CA -0.161 55.964 56.048 0.128 0.000 1.048 385 H CB 1.015 30.781 29.762 0.006 0.000 1.697 385 H HN 0.595 nan 8.280 nan 0.000 0.606 386 D N -0.552 119.953 120.400 0.174 0.000 2.560 386 D HA 0.114 4.754 4.640 0.001 0.000 0.277 386 D C 1.639 178.022 176.300 0.139 0.000 1.194 386 D CA -0.715 53.359 54.000 0.125 0.000 1.092 386 D CB 0.476 41.360 40.800 0.140 0.000 1.169 386 D HN -0.039 nan 8.370 nan 0.000 0.607 387 I N -0.987 119.671 120.570 0.147 0.000 2.252 387 I HA -0.135 4.035 4.170 0.001 0.000 0.245 387 I C 2.069 178.317 176.117 0.218 0.000 1.102 387 I CA 0.560 61.969 61.300 0.182 0.000 1.385 387 I CB -0.816 37.306 38.000 0.204 0.000 1.064 387 I HN 0.213 nan 8.210 nan 0.000 0.414 388 V N -0.099 119.943 119.914 0.214 0.000 2.255 388 V HA -0.148 3.972 4.120 0.001 0.000 0.247 388 V C 0.752 177.046 176.094 0.333 0.000 1.051 388 V CA 1.664 64.103 62.300 0.232 0.000 1.018 388 V CB -0.817 31.120 31.823 0.188 0.000 0.641 388 V HN 0.483 nan 8.190 nan 0.000 0.445 389 F N -1.107 118.931 119.950 0.147 0.000 2.628 389 F HA 0.553 5.081 4.527 0.001 0.000 0.309 389 F C -1.322 174.600 175.800 0.203 0.000 1.108 389 F CA -1.481 56.605 58.000 0.144 0.000 0.971 389 F CB 1.782 40.843 39.000 0.102 0.000 1.279 389 F HN -0.005 nan 8.300 nan 0.000 0.441 390 Y N 6.110 125.842 120.300 -0.946 0.000 2.402 390 Y HA 0.629 5.180 4.550 0.001 0.000 0.325 390 Y C -0.163 175.249 175.900 -0.814 0.000 1.009 390 Y CA 0.114 57.822 58.100 -0.653 0.000 1.278 390 Y CB 0.986 39.318 38.460 -0.214 0.000 1.105 390 Y HN 1.013 nan 8.280 nan 0.000 0.476 391 G N 2.556 110.897 108.800 -0.765 0.000 2.384 391 G HA2 0.114 4.074 3.960 0.001 0.000 0.150 391 G HA3 0.114 4.074 3.960 0.001 0.000 0.150 391 G C -2.285 172.514 174.900 -0.168 0.000 1.269 391 G CA -0.276 44.477 45.100 -0.579 0.000 1.094 391 G HN 0.668 nan 8.290 nan 0.000 0.467 392 V N 0.840 120.679 119.914 -0.125 0.000 2.495 392 V HA 0.644 4.764 4.120 0.001 0.000 0.298 392 V C 1.260 177.301 176.094 -0.087 0.000 1.031 392 V CA 0.003 62.121 62.300 -0.304 0.000 0.871 392 V CB 1.352 32.942 31.823 -0.388 0.000 0.988 392 V HN 0.811 nan 8.190 nan 0.000 0.432 393 H N 3.462 122.495 119.070 -0.061 0.000 2.326 393 H HA 0.061 4.617 4.556 0.001 0.000 0.301 393 H C 0.619 175.901 175.328 -0.076 0.000 1.081 393 H CA 1.740 57.718 56.048 -0.118 0.000 1.334 393 H CB 0.405 30.061 29.762 -0.177 0.000 1.385 393 H HN 0.784 nan 8.280 nan 0.000 0.504 394 E N -0.020 120.204 120.200 0.041 0.000 2.416 394 E HA 0.424 4.775 4.350 0.001 0.000 0.273 394 E C -1.551 175.049 176.600 -0.001 0.000 0.935 394 E CA -1.108 55.307 56.400 0.026 0.000 0.784 394 E CB 2.173 31.890 29.700 0.027 0.000 1.301 394 E HN -0.022 nan 8.360 nan 0.000 0.454 395 L N 1.580 122.820 121.223 0.027 0.000 2.481 395 L HA 0.425 4.766 4.340 0.001 0.000 0.255 395 L C -2.860 174.044 176.870 0.057 0.000 1.192 395 L CA -1.817 53.045 54.840 0.038 0.000 0.924 395 L CB 1.344 43.435 42.059 0.054 0.000 1.179 395 L HN 0.357 nan 8.230 nan 0.000 0.491 396 P HA 0.253 nan 4.420 nan 0.000 0.276 396 P C -0.748 176.604 177.300 0.087 0.000 1.264 396 P CA 0.103 63.244 63.100 0.068 0.000 0.769 396 P CB 0.930 32.662 31.700 0.054 0.000 0.840 397 V N 0.941 120.925 119.914 0.116 0.000 3.126 397 V HA 0.911 5.031 4.120 0.001 0.000 0.314 397 V C -0.241 175.976 176.094 0.205 0.000 1.138 397 V CA -0.577 61.808 62.300 0.142 0.000 1.034 397 V CB 2.028 33.929 31.823 0.131 0.000 1.075 397 V HN 0.469 nan 8.190 nan 0.000 0.442 398 T N 0.120 114.803 114.554 0.214 0.000 2.696 398 T HA 0.856 5.207 4.350 0.001 0.000 0.291 398 T C -1.854 173.030 174.700 0.308 0.000 1.095 398 T CA 0.141 62.352 62.100 0.185 0.000 1.026 398 T CB 1.815 70.685 68.868 0.004 0.000 1.390 398 T HN 1.600 nan 8.240 nan 0.000 0.513 399 W N -0.736 120.546 121.300 -0.029 0.000 2.799 399 W HA 0.599 5.259 4.660 0.000 0.000 0.416 399 W C -1.902 174.572 176.519 -0.075 0.000 1.108 399 W CA -1.004 56.242 57.345 -0.164 0.000 1.169 399 W CB 0.118 29.460 29.460 -0.196 0.000 1.471 399 W HN 0.779 nan 8.180 nan 0.000 0.586 400 H N 1.321 120.494 119.070 0.172 0.000 2.723 400 H HA 0.280 4.836 4.556 0.001 0.000 0.294 400 H C -0.059 175.300 175.328 0.051 0.000 1.079 400 H CA -0.336 55.774 56.048 0.103 0.000 1.411 400 H CB 0.396 30.242 29.762 0.141 0.000 1.439 400 H HN 0.245 nan 8.280 nan 0.000 0.474 401 H N 0.000 119.045 119.070 -0.042 0.000 2.539 401 H HA 0.000 4.556 4.556 0.001 0.000 0.296 401 H CA 0.000 56.043 56.048 -0.008 0.000 1.023 401 H CB 0.000 29.685 29.762 -0.129 0.000 1.292 401 H HN 0.000 nan 8.280 nan 0.000 0.496