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 2oz3_1_G DATA FIRST_RESID 0 DATA SEQUENCE SLSIPTIKQV RAFVLRGGGA DYHDQGDGHW IDDHISTPXG KYPEYRQSRR DATA SEQUENCE SFGINVLGTL VVEIEASDGN VGFAVTTGGE PAAYIVEKHL ARFLEGARVT DATA SEQUENCE DIERIWDQXY NSTLYYGRKG LVINTISGVD LALWDLLGKV RREPVHQLLG DATA SEQUENCE GAVRDELQFY ATGARPDLAQ KXGFIGGKXP LHHGPSEGEE GLKKNLEELA DATA SEQUENCE TXRERVGPDF WLXFDCWXSL DLNYATRLAR GAREYGLKWI EEALPPDDYW DATA SEQUENCE GYAELRRNAP TGXXVTTGEH EATRWGFRXL LEXGCCDIIQ PDVGWCGGVT DATA SEQUENCE ELLKISALAD AHNALVVPHG SSVYSYHFVA TRQNSPFAEF LXXAPKADQV DATA SEQUENCE VPXFHPQLLG EPVPENGRXR LSRLDQPGFG VTLNPECQLH RPYTH 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.601 174.600 0.001 0.000 1.055 0 S CA 0.000 58.200 58.200 0.001 0.000 1.107 0 S CB 0.000 63.201 63.200 0.001 0.000 0.593 1 L N 3.874 125.097 121.223 0.000 0.000 2.462 1 L HA 0.551 4.891 4.340 0.000 0.000 0.272 1 L C 0.218 177.088 176.870 0.000 0.000 1.166 1 L CA 0.497 55.337 54.840 0.000 0.000 0.880 1 L CB 1.036 43.095 42.059 -0.001 0.000 1.142 1 L HN 0.270 nan 8.230 nan 0.000 0.473 2 S N 6.147 121.849 115.700 0.002 0.000 2.465 2 S HA 0.333 4.803 4.470 0.000 0.000 0.280 2 S C -0.081 174.520 174.600 0.002 0.000 1.232 2 S CA -0.727 57.475 58.200 0.002 0.000 1.066 2 S CB -0.307 62.895 63.200 0.005 0.000 0.929 2 S HN 0.481 nan 8.310 nan 0.000 0.494 3 I N 7.539 128.109 120.570 -0.000 0.000 2.321 3 I HA 0.362 4.532 4.170 0.000 0.000 0.291 3 I C -1.933 174.185 176.117 0.000 0.000 0.998 3 I CA -2.609 58.689 61.300 -0.003 0.000 1.227 3 I CB 0.806 38.801 38.000 -0.009 0.000 1.368 3 I HN 0.466 nan 8.210 nan 0.000 0.466 4 P HA 0.152 nan 4.420 nan 0.000 0.269 4 P C -0.048 177.257 177.300 0.007 0.000 1.215 4 P CA -0.113 62.992 63.100 0.008 0.000 0.780 4 P CB 0.379 32.087 31.700 0.012 0.000 0.898 5 T N -0.881 113.681 114.554 0.012 0.000 2.902 5 T HA 0.548 4.898 4.350 0.000 0.000 0.280 5 T C 0.334 175.047 174.700 0.022 0.000 0.992 5 T CA -0.792 61.317 62.100 0.015 0.000 1.015 5 T CB 0.393 69.271 68.868 0.017 0.000 1.044 5 T HN 0.116 nan 8.240 nan 0.000 0.520 6 I N 2.131 122.717 120.570 0.026 0.000 2.416 6 I HA 0.258 4.428 4.170 0.000 0.000 0.288 6 I C 1.578 177.718 176.117 0.038 0.000 1.051 6 I CA -0.244 61.078 61.300 0.035 0.000 1.375 6 I CB 1.050 39.073 38.000 0.039 0.000 1.407 6 I HN 0.791 nan 8.210 nan 0.000 0.516 7 K N 4.297 124.722 120.400 0.042 0.000 2.121 7 K HA 0.178 4.498 4.320 0.000 0.000 0.203 7 K C 0.371 176.999 176.600 0.046 0.000 1.041 7 K CA 0.858 57.168 56.287 0.038 0.000 0.969 7 K CB 0.492 33.013 32.500 0.036 0.000 0.799 7 K HN 0.554 nan 8.250 nan 0.000 0.456 8 Q N 0.611 120.446 119.800 0.058 0.000 2.353 8 Q HA 0.210 4.550 4.340 0.000 0.000 0.275 8 Q C -1.942 174.111 176.000 0.089 0.000 1.029 8 Q CA -0.437 55.409 55.803 0.071 0.000 0.848 8 Q CB 2.649 31.409 28.738 0.036 0.000 1.390 8 Q HN 0.105 nan 8.270 nan 0.000 0.401 9 V N 2.734 122.722 119.914 0.123 0.000 2.495 9 V HA 0.724 4.844 4.120 0.000 0.000 0.298 9 V C -1.234 174.915 176.094 0.092 0.000 1.031 9 V CA -0.358 62.000 62.300 0.097 0.000 0.871 9 V CB 1.650 33.510 31.823 0.062 0.000 0.988 9 V HN 0.700 nan 8.190 nan 0.000 0.432 10 R N 4.548 125.044 120.500 -0.006 0.000 2.686 10 R HA 0.847 5.187 4.340 0.000 0.000 0.286 10 R C -0.890 175.204 176.300 -0.345 0.000 0.969 10 R CA -0.400 55.577 56.100 -0.204 0.000 0.898 10 R CB 2.309 32.427 30.300 -0.303 0.000 1.183 10 R HN 0.955 nan 8.270 nan 0.000 0.456 11 A N 3.187 125.748 122.820 -0.433 0.000 2.331 11 A HA 0.752 5.072 4.320 0.000 0.000 0.320 11 A C -1.230 176.066 177.584 -0.480 0.000 1.138 11 A CA -0.465 51.382 52.037 -0.316 0.000 0.790 11 A CB 0.519 19.468 19.000 -0.084 0.000 1.206 11 A HN 0.526 nan 8.150 nan 0.000 0.470 12 F N 1.097 121.090 119.950 0.070 0.000 2.561 12 F HA 0.589 5.116 4.527 0.000 0.000 0.321 12 F C 0.019 175.854 175.800 0.058 0.000 1.065 12 F CA -0.884 57.145 58.000 0.048 0.000 0.934 12 F CB 2.340 41.371 39.000 0.052 0.000 1.215 12 F HN 0.287 nan 8.300 nan 0.000 0.471 13 V N 3.929 123.996 119.914 0.255 0.000 2.417 13 V HA 0.466 4.586 4.120 0.000 0.000 0.291 13 V C -0.349 175.842 176.094 0.162 0.000 1.024 13 V CA -0.689 61.718 62.300 0.178 0.000 0.861 13 V CB 1.582 33.492 31.823 0.146 0.000 0.985 13 V HN 0.592 nan 8.190 nan 0.000 0.436 14 L N 5.315 126.605 121.223 0.112 0.000 2.334 14 L HA 0.736 5.076 4.340 0.000 0.000 0.273 14 L C -0.271 176.620 176.870 0.035 0.000 1.013 14 L CA -0.681 54.198 54.840 0.064 0.000 0.816 14 L CB 1.817 43.901 42.059 0.043 0.000 1.278 14 L HN 0.536 nan 8.230 nan 0.000 0.431 15 R N 1.741 122.251 120.500 0.016 0.000 2.740 15 R HA 0.696 5.036 4.340 0.000 0.000 0.282 15 R C -0.719 175.567 176.300 -0.022 0.000 0.969 15 R CA -0.716 55.382 56.100 -0.003 0.000 0.918 15 R CB 1.795 32.098 30.300 0.005 0.000 1.175 15 R HN 0.775 nan 8.270 nan 0.000 0.464 16 G N 0.796 109.575 108.800 -0.036 0.000 3.035 16 G HA2 0.294 4.254 3.960 0.000 0.000 0.674 16 G HA3 0.294 4.254 3.960 0.000 0.000 0.674 16 G C 0.266 175.135 174.900 -0.052 0.000 1.159 16 G CA 0.147 45.224 45.100 -0.039 0.000 1.098 16 G HN 1.042 nan 8.290 nan 0.000 0.473 17 G N 0.533 109.295 108.800 -0.063 0.000 2.693 17 G HA2 0.448 4.408 3.960 0.000 0.000 0.226 17 G HA3 0.448 4.408 3.960 0.000 0.000 0.226 17 G C 1.310 176.127 174.900 -0.137 0.000 1.354 17 G CA 1.327 46.385 45.100 -0.070 0.000 0.873 17 G HN 3.056 nan 8.290 nan 0.000 0.562 18 G N -1.649 107.063 108.800 -0.147 0.000 2.554 18 G HA2 0.222 4.182 3.960 0.000 0.000 0.253 18 G HA3 0.222 4.182 3.960 0.000 0.000 0.253 18 G C 1.634 176.087 174.900 -0.746 0.000 1.172 18 G CA 2.400 47.336 45.100 -0.273 0.000 0.950 18 G HN 2.516 nan 8.290 nan 0.000 0.557 19 A N -0.329 121.979 122.820 -0.853 0.000 1.968 19 A HA 0.290 4.610 4.320 0.000 0.000 0.217 19 A C 1.246 178.264 177.584 -0.943 0.000 1.169 19 A CA 2.059 53.377 52.037 -1.199 0.000 0.638 19 A CB -0.339 18.338 19.000 -0.538 0.000 0.812 19 A HN 0.786 nan 8.150 nan 0.000 0.446 20 D N -0.778 119.291 120.400 -0.551 0.000 2.338 20 D HA 0.217 4.857 4.640 0.000 0.000 0.255 20 D C 0.108 176.121 176.300 -0.479 0.000 1.237 20 D CA -0.157 53.590 54.000 -0.422 0.000 0.883 20 D CB 0.198 40.894 40.800 -0.174 0.000 1.087 20 D HN 0.383 nan 8.370 nan 0.000 0.485 21 Y N 1.632 121.728 120.300 -0.339 0.000 2.616 21 Y HA 0.013 4.563 4.550 0.000 0.000 0.296 21 Y C 1.213 176.758 175.900 -0.591 0.000 1.154 21 Y CA 0.672 58.465 58.100 -0.512 0.000 1.325 21 Y CB -0.121 38.007 38.460 -0.553 0.000 1.007 21 Y HN 0.596 nan 8.280 nan 0.000 0.542 22 H N -2.541 116.508 119.070 -0.035 0.000 2.785 22 H HA 0.158 4.714 4.556 0.000 0.000 0.268 22 H C -0.030 175.199 175.328 -0.165 0.000 1.153 22 H CA -0.197 55.770 56.048 -0.135 0.000 1.111 22 H CB 0.593 30.299 29.762 -0.093 0.000 1.633 22 H HN 0.005 nan 8.280 nan 0.000 0.576 23 D N 1.062 121.414 120.400 -0.080 0.000 2.781 23 D HA 0.057 4.697 4.640 0.000 0.000 0.254 23 D C 0.517 176.762 176.300 -0.091 0.000 1.213 23 D CA 0.212 54.165 54.000 -0.078 0.000 0.994 23 D CB 0.654 41.410 40.800 -0.073 0.000 1.019 23 D HN 0.269 nan 8.370 nan 0.000 0.514 24 Q N 0.132 119.864 119.800 -0.113 0.000 2.586 24 Q HA 0.326 4.666 4.340 0.000 0.000 0.243 24 Q C 0.959 176.940 176.000 -0.032 0.000 0.846 24 Q CA 0.969 56.690 55.803 -0.137 0.000 0.959 24 Q CB 0.725 29.230 28.738 -0.388 0.000 1.227 24 Q HN 0.478 nan 8.270 nan 0.000 0.611 25 G N 0.610 109.390 108.800 -0.034 0.000 2.416 25 G HA2 -0.122 3.838 3.960 0.000 0.000 0.203 25 G HA3 -0.122 3.838 3.960 0.000 0.000 0.203 25 G C -1.449 173.469 174.900 0.029 0.000 1.227 25 G CA -0.359 44.745 45.100 0.006 0.000 1.041 25 G HN 0.108 nan 8.290 nan 0.000 0.546 26 D N 1.218 121.642 120.400 0.040 0.000 2.210 26 D HA 0.492 5.132 4.640 0.000 0.000 0.249 26 D C 1.239 177.576 176.300 0.062 0.000 1.062 26 D CA 1.158 55.183 54.000 0.042 0.000 0.891 26 D CB 0.949 41.766 40.800 0.028 0.000 1.186 26 D HN 2.074 nan 8.370 nan 0.000 0.432 27 G N 1.040 109.878 108.800 0.064 0.000 2.153 27 G HA2 -0.248 3.712 3.960 0.000 0.000 0.252 27 G HA3 -0.248 3.712 3.960 0.000 0.000 0.252 27 G C 0.172 175.120 174.900 0.080 0.000 0.994 27 G CA 0.127 45.266 45.100 0.065 0.000 0.698 27 G HN 0.701 nan 8.290 nan 0.000 0.521 28 H N 0.320 119.397 119.070 0.011 0.000 2.527 28 H HA 0.279 4.835 4.556 0.000 0.000 0.321 28 H C 1.747 177.061 175.328 -0.023 0.000 1.087 28 H CA -0.315 55.713 56.048 -0.033 0.000 1.337 28 H CB 0.262 29.942 29.762 -0.137 0.000 1.440 28 H HN 0.404 nan 8.280 nan 0.000 0.490 29 W N 5.186 126.645 121.300 0.265 0.000 2.364 29 W HA -0.124 4.536 4.660 0.000 0.000 0.281 29 W C 0.974 177.645 176.519 0.253 0.000 1.219 29 W CA 0.343 57.827 57.345 0.231 0.000 1.220 29 W CB -0.733 28.830 29.460 0.172 0.000 1.127 29 W HN 0.522 nan 8.180 nan 0.000 0.556 30 I N 1.396 121.590 120.570 -0.627 0.000 2.830 30 I HA -0.185 3.985 4.170 0.000 0.000 0.263 30 I C 0.881 176.809 176.117 -0.315 0.000 1.230 30 I CA 1.738 62.543 61.300 -0.826 0.000 1.480 30 I CB -0.300 36.977 38.000 -1.205 0.000 1.095 30 I HN -0.165 nan 8.210 nan 0.000 0.455 31 D N -0.350 119.951 120.400 -0.164 0.000 2.501 31 D HA 0.028 4.668 4.640 0.000 0.000 0.224 31 D C -0.385 175.926 176.300 0.017 0.000 1.202 31 D CA -0.117 53.821 54.000 -0.103 0.000 0.829 31 D CB 0.180 40.909 40.800 -0.117 0.000 1.023 31 D HN 0.080 nan 8.370 nan 0.000 0.499 32 D N -0.198 120.273 120.400 0.119 0.000 2.493 32 D HA 0.102 4.742 4.640 0.000 0.000 0.235 32 D C -0.324 176.158 176.300 0.302 0.000 1.117 32 D CA -0.224 53.892 54.000 0.194 0.000 0.930 32 D CB -0.241 40.691 40.800 0.219 0.000 1.010 32 D HN 0.147 nan 8.370 nan 0.000 0.514 33 H N 3.305 122.447 119.070 0.120 0.000 2.770 33 H HA -0.161 4.395 4.556 0.000 0.000 0.309 33 H C -0.569 174.879 175.328 0.199 0.000 1.206 33 H CA 0.144 56.272 56.048 0.132 0.000 1.147 33 H CB -0.557 29.252 29.762 0.078 0.000 1.422 33 H HN 0.376 nan 8.280 nan 0.000 0.420 34 I N 1.398 122.030 120.570 0.103 0.000 2.471 34 I HA -0.019 4.151 4.170 0.000 0.000 0.286 34 I C 1.358 177.449 176.117 -0.043 0.000 1.079 34 I CA 0.407 61.719 61.300 0.020 0.000 1.398 34 I CB 1.043 39.011 38.000 -0.054 0.000 1.403 34 I HN 0.210 nan 8.210 nan 0.000 0.530 35 S N 5.527 121.210 115.700 -0.027 0.000 2.525 35 S HA 0.268 4.738 4.470 0.000 0.000 0.285 35 S C 0.295 174.958 174.600 0.105 0.000 1.283 35 S CA -0.287 57.911 58.200 -0.003 0.000 1.072 35 S CB -0.158 63.036 63.200 -0.010 0.000 0.867 35 S HN 0.821 nan 8.310 nan 0.000 0.492 36 T N 3.589 118.206 114.554 0.105 0.000 2.907 36 T HA 0.701 5.051 4.350 0.000 0.000 0.290 36 T C -2.916 171.814 174.700 0.050 0.000 1.066 36 T CA -2.036 60.193 62.100 0.216 0.000 1.012 36 T CB 0.961 69.958 68.868 0.216 0.000 1.184 36 T HN 0.322 nan 8.240 nan 0.000 0.522 40 K N 0.028 120.348 120.400 -0.134 0.000 2.211 40 K HA 0.036 4.356 4.320 0.000 0.000 0.203 40 K C -0.095 176.320 176.600 -0.309 0.000 1.050 40 K CA 0.309 56.437 56.287 -0.265 0.000 0.945 40 K CB -0.194 32.068 32.500 -0.396 0.000 0.732 40 K HN 0.282 nan 8.250 nan 0.000 0.451 41 Y N 1.724 122.058 120.300 0.056 0.000 2.404 41 Y HA 0.218 4.768 4.550 0.000 0.000 0.344 41 Y C -1.729 174.228 175.900 0.095 0.000 0.995 41 Y CA -2.820 55.343 58.100 0.106 0.000 1.201 41 Y CB 1.188 39.787 38.460 0.232 0.000 1.151 41 Y HN -0.029 nan 8.280 nan 0.000 0.517 42 P HA -0.149 nan 4.420 nan 0.000 0.219 42 P C 0.607 177.949 177.300 0.070 0.000 1.146 42 P CA 1.419 64.583 63.100 0.108 0.000 0.808 42 P CB 0.359 32.107 31.700 0.079 0.000 0.779 43 E N -1.608 118.607 120.200 0.026 0.000 2.153 43 E HA -0.174 4.176 4.350 0.000 0.000 0.194 43 E C 0.766 177.188 176.600 -0.297 0.000 0.988 43 E CA 1.191 57.470 56.400 -0.202 0.000 0.811 43 E CB -0.717 28.739 29.700 -0.408 0.000 0.746 43 E HN 0.450 nan 8.360 nan 0.000 0.466 44 Y N -0.549 119.829 120.300 0.131 0.000 2.555 44 Y HA 0.312 4.862 4.550 0.000 0.000 0.259 44 Y C 1.786 177.769 175.900 0.139 0.000 1.179 44 Y CA -0.478 57.719 58.100 0.162 0.000 1.230 44 Y CB 0.309 38.905 38.460 0.227 0.000 1.146 44 Y HN -0.118 nan 8.280 nan 0.000 0.526 45 R N 0.347 120.943 120.500 0.161 0.000 2.090 45 R HA -0.169 4.171 4.340 0.000 0.000 0.228 45 R C 2.072 178.317 176.300 -0.092 0.000 1.110 45 R CA 1.538 57.650 56.100 0.019 0.000 0.973 45 R CB 0.195 30.502 30.300 0.011 0.000 0.869 45 R HN 0.275 nan 8.270 nan 0.000 0.440 46 Q N 0.106 119.923 119.800 0.029 0.000 2.089 46 Q HA 0.052 4.392 4.340 0.000 0.000 0.195 46 Q C -0.011 176.021 176.000 0.053 0.000 0.963 46 Q CA 1.151 57.011 55.803 0.095 0.000 0.834 46 Q CB 0.286 29.107 28.738 0.139 0.000 0.906 46 Q HN 0.143 nan 8.270 nan 0.000 0.452 47 S N -0.310 115.408 115.700 0.030 0.000 2.498 47 S HA 0.393 4.863 4.470 0.000 0.000 0.317 47 S C 0.221 174.763 174.600 -0.096 0.000 1.090 47 S CA -0.714 57.468 58.200 -0.030 0.000 1.089 47 S CB 0.844 64.024 63.200 -0.033 0.000 0.997 47 S HN 0.394 nan 8.310 nan 0.000 0.470 48 R N 2.838 123.197 120.500 -0.234 0.000 2.148 48 R HA 0.070 4.410 4.340 0.000 0.000 0.227 48 R C 1.907 177.676 176.300 -0.884 0.000 1.103 48 R CA 0.853 56.595 56.100 -0.597 0.000 0.983 48 R CB -0.047 29.901 30.300 -0.587 0.000 0.874 48 R HN 0.642 nan 8.270 nan 0.000 0.451 49 R N 0.286 120.513 120.500 -0.454 0.000 2.189 49 R HA -0.055 4.285 4.340 0.000 0.000 0.218 49 R C 2.388 178.538 176.300 -0.250 0.000 1.074 49 R CA 1.395 57.289 56.100 -0.343 0.000 0.991 49 R CB -0.076 30.109 30.300 -0.191 0.000 0.883 49 R HN 0.238 nan 8.270 nan 0.000 0.457 50 S N 1.134 116.738 115.700 -0.160 0.000 2.382 50 S HA -0.164 4.306 4.470 0.000 0.000 0.228 50 S C 1.757 176.491 174.600 0.223 0.000 1.027 50 S CA 1.104 59.335 58.200 0.053 0.000 0.991 50 S CB -0.478 62.793 63.200 0.118 0.000 0.823 50 S HN 0.502 nan 8.310 nan 0.000 0.469 51 F N 0.984 121.027 119.950 0.154 0.000 2.789 51 F HA 0.590 5.117 4.527 0.000 0.000 0.300 51 F C 1.240 177.001 175.800 -0.066 0.000 1.132 51 F CA -0.409 57.553 58.000 -0.064 0.000 1.404 51 F CB -0.687 38.147 39.000 -0.276 0.000 1.114 51 F HN 0.351 nan 8.300 nan 0.000 0.584 52 G N 1.731 110.379 108.800 -0.253 0.000 2.309 52 G HA2 -0.255 3.705 3.960 0.000 0.000 0.183 52 G HA3 -0.255 3.705 3.960 0.000 0.000 0.183 52 G C 0.635 175.446 174.900 -0.148 0.000 1.063 52 G CA 0.138 45.158 45.100 -0.132 0.000 0.768 52 G HN 0.560 nan 8.290 nan 0.000 0.490 53 I N 0.362 120.702 120.570 -0.383 0.000 2.567 53 I HA -0.125 4.045 4.170 0.000 0.000 0.257 53 I C 1.988 178.051 176.117 -0.090 0.000 1.184 53 I CA 1.699 62.852 61.300 -0.245 0.000 1.451 53 I CB 0.072 37.770 38.000 -0.504 0.000 1.089 53 I HN 0.470 nan 8.210 nan 0.000 0.441 54 N N 0.039 118.677 118.700 -0.103 0.000 2.268 54 N HA -0.047 4.693 4.740 0.000 0.000 0.204 54 N C 1.173 176.666 175.510 -0.028 0.000 1.124 54 N CA 0.187 53.210 53.050 -0.045 0.000 0.838 54 N CB 0.061 38.508 38.487 -0.068 0.000 0.994 54 N HN 0.217 nan 8.380 nan 0.000 0.489 55 V N 0.410 120.311 119.914 -0.022 0.000 2.871 55 V HA 0.060 4.180 4.120 0.000 0.000 0.256 55 V C 1.859 177.956 176.094 0.005 0.000 1.082 55 V CA 0.976 63.271 62.300 -0.009 0.000 1.105 55 V CB -0.158 31.662 31.823 -0.006 0.000 0.713 55 V HN 0.241 nan 8.190 nan 0.000 0.473 56 L N -0.796 120.432 121.223 0.008 0.000 2.221 56 L HA 0.489 4.829 4.340 0.000 0.000 0.202 56 L C 1.619 178.501 176.870 0.021 0.000 1.074 56 L CA 0.830 55.681 54.840 0.018 0.000 0.795 56 L CB -0.862 41.206 42.059 0.015 0.000 0.960 56 L HN 0.423 nan 8.230 nan 0.000 0.458 57 G N 0.254 109.057 108.800 0.006 0.000 2.569 57 G HA2 -0.278 3.682 3.960 0.000 0.000 0.259 57 G HA3 -0.278 3.682 3.960 0.000 0.000 0.259 57 G C -0.123 174.774 174.900 -0.005 0.000 1.263 57 G CA -0.101 44.995 45.100 -0.007 0.000 0.928 57 G HN 0.141 nan 8.290 nan 0.000 0.572 58 T N 0.958 115.511 114.554 -0.001 0.000 2.771 58 T HA 0.513 4.863 4.350 0.000 0.000 0.281 58 T C 0.109 174.844 174.700 0.059 0.000 0.982 58 T CA -0.158 61.942 62.100 0.000 0.000 0.978 58 T CB 1.498 70.348 68.868 -0.029 0.000 0.930 58 T HN 0.858 nan 8.240 nan 0.000 0.447 59 L N 5.714 126.979 121.223 0.071 0.000 2.331 59 L HA 0.534 4.874 4.340 0.000 0.000 0.278 59 L C -0.762 176.192 176.870 0.140 0.000 1.106 59 L CA -0.051 54.851 54.840 0.104 0.000 0.824 59 L CB 0.655 42.769 42.059 0.091 0.000 1.142 59 L HN 0.401 nan 8.230 nan 0.000 0.443 60 V N 6.029 126.061 119.914 0.197 0.000 2.384 60 V HA 0.447 4.567 4.120 0.000 0.000 0.287 60 V C -0.196 176.054 176.094 0.260 0.000 1.020 60 V CA -0.772 61.693 62.300 0.276 0.000 0.850 60 V CB 1.489 33.524 31.823 0.352 0.000 0.987 60 V HN 0.539 nan 8.190 nan 0.000 0.436 61 V N 4.160 124.217 119.914 0.238 0.000 2.427 61 V HA 0.469 4.589 4.120 0.000 0.000 0.286 61 V C 0.028 176.290 176.094 0.282 0.000 1.034 61 V CA -0.475 61.939 62.300 0.191 0.000 0.893 61 V CB 1.648 33.548 31.823 0.128 0.000 0.982 61 V HN 0.912 nan 8.190 nan 0.000 0.452 62 E N 4.090 124.433 120.200 0.238 0.000 2.218 62 E HA 0.568 4.918 4.350 0.000 0.000 0.263 62 E C -1.427 175.286 176.600 0.189 0.000 0.879 62 E CA -0.525 56.045 56.400 0.284 0.000 0.762 62 E CB 1.951 31.879 29.700 0.380 0.000 1.166 62 E HN 0.597 nan 8.360 nan 0.000 0.415 63 I N 2.855 123.538 120.570 0.188 0.000 2.389 63 I HA 0.281 4.451 4.170 0.000 0.000 0.288 63 I C -0.084 176.110 176.117 0.127 0.000 0.999 63 I CA -0.556 60.825 61.300 0.135 0.000 1.129 63 I CB 1.679 39.747 38.000 0.113 0.000 1.288 63 I HN 0.392 nan 8.210 nan 0.000 0.444 64 E N 5.271 125.534 120.200 0.104 0.000 2.175 64 E HA 0.697 5.047 4.350 0.000 0.000 0.278 64 E C -0.917 175.724 176.600 0.068 0.000 0.969 64 E CA -0.588 55.865 56.400 0.090 0.000 0.796 64 E CB 1.628 31.378 29.700 0.083 0.000 1.104 64 E HN 0.752 nan 8.360 nan 0.000 0.395 65 A N 2.399 125.256 122.820 0.061 0.000 2.281 65 A HA 0.305 4.625 4.320 0.000 0.000 0.329 65 A C 0.885 178.492 177.584 0.038 0.000 1.122 65 A CA -0.099 51.965 52.037 0.045 0.000 0.850 65 A CB 1.110 20.134 19.000 0.039 0.000 1.207 65 A HN 0.769 nan 8.150 nan 0.000 0.495 66 S N -0.207 115.511 115.700 0.030 0.000 2.481 66 S HA -0.125 4.345 4.470 0.000 0.000 0.231 66 S C 0.930 175.544 174.600 0.024 0.000 0.996 66 S CA 1.297 59.512 58.200 0.026 0.000 0.942 66 S CB -0.306 62.907 63.200 0.021 0.000 0.768 66 S HN 0.816 nan 8.310 nan 0.000 0.520 67 D N 0.869 121.284 120.400 0.025 0.000 2.347 67 D HA 0.156 4.796 4.640 0.000 0.000 0.213 67 D C 1.459 177.776 176.300 0.029 0.000 0.985 67 D CA 0.806 54.821 54.000 0.024 0.000 0.879 67 D CB -0.735 40.078 40.800 0.022 0.000 0.919 67 D HN 0.630 nan 8.370 nan 0.000 0.526 68 G N 0.130 108.951 108.800 0.035 0.000 2.157 68 G HA2 -0.254 3.706 3.960 0.000 0.000 0.239 68 G HA3 -0.254 3.706 3.960 0.000 0.000 0.239 68 G C -0.065 174.865 174.900 0.050 0.000 0.982 68 G CA -0.210 44.915 45.100 0.041 0.000 0.650 68 G HN 0.372 nan 8.290 nan 0.000 0.527 69 N N 0.071 118.802 118.700 0.052 0.000 2.513 69 N HA 0.400 5.140 4.740 0.000 0.000 0.268 69 N C -0.144 175.417 175.510 0.086 0.000 1.180 69 N CA 0.316 53.406 53.050 0.066 0.000 0.948 69 N CB 1.735 40.256 38.487 0.058 0.000 1.083 69 N HN 0.109 nan 8.380 nan 0.000 0.455 70 V N 1.365 121.347 119.914 0.113 0.000 2.407 70 V HA 0.452 4.572 4.120 0.000 0.000 0.291 70 V C 0.722 176.944 176.094 0.212 0.000 1.018 70 V CA -0.889 61.500 62.300 0.149 0.000 0.842 70 V CB 1.457 33.365 31.823 0.141 0.000 0.996 70 V HN 0.702 nan 8.190 nan 0.000 0.426 71 G N 3.934 112.863 108.800 0.215 0.000 2.425 71 G HA2 0.745 4.705 3.960 0.000 0.000 0.302 71 G HA3 0.745 4.705 3.960 0.000 0.000 0.302 71 G C -1.034 174.093 174.900 0.377 0.000 1.159 71 G CA -0.376 44.883 45.100 0.264 0.000 0.865 71 G HN 0.770 nan 8.290 nan 0.000 0.515 72 F N -0.146 119.928 119.950 0.206 0.000 2.626 72 F HA 0.882 5.409 4.527 0.000 0.000 0.311 72 F C -0.410 175.539 175.800 0.247 0.000 1.088 72 F CA -1.356 56.771 58.000 0.211 0.000 0.949 72 F CB 1.693 40.813 39.000 0.200 0.000 1.322 72 F HN 0.808 nan 8.300 nan 0.000 0.461 73 A N 1.288 124.196 122.820 0.148 0.000 2.587 73 A HA 0.809 5.130 4.320 0.000 0.000 0.293 73 A C -1.509 176.180 177.584 0.174 0.000 1.087 73 A CA -0.412 51.607 52.037 -0.030 0.000 0.692 73 A CB 1.646 20.511 19.000 -0.224 0.000 1.291 73 A HN 1.795 nan 8.150 nan 0.000 0.407 74 V N -1.131 118.869 119.914 0.143 0.000 2.495 74 V HA 0.936 5.056 4.120 0.000 0.000 0.298 74 V C -0.228 175.905 176.094 0.066 0.000 1.031 74 V CA 0.006 62.424 62.300 0.198 0.000 0.871 74 V CB 0.885 32.918 31.823 0.351 0.000 0.988 74 V HN 1.307 nan 8.190 nan 0.000 0.432 75 T N 1.957 116.537 114.554 0.043 0.000 2.754 75 T HA 0.552 4.902 4.350 0.000 0.000 0.296 75 T C -0.214 174.517 174.700 0.053 0.000 1.205 75 T CA -0.110 62.015 62.100 0.043 0.000 1.009 75 T CB 2.075 70.981 68.868 0.064 0.000 1.368 75 T HN 0.952 nan 8.240 nan 0.000 0.509 76 T N 1.020 115.659 114.554 0.142 0.000 2.897 76 T HA 0.552 4.902 4.350 0.000 0.000 0.294 76 T C 1.109 175.858 174.700 0.082 0.000 1.004 76 T CA 0.568 62.728 62.100 0.101 0.000 1.106 76 T CB 0.907 69.877 68.868 0.170 0.000 0.949 76 T HN 1.109 nan 8.240 nan 0.000 0.520 77 G N 0.617 109.446 108.800 0.048 0.000 3.246 77 G HA2 0.305 4.265 3.960 0.000 0.000 0.218 77 G HA3 0.305 4.265 3.960 0.000 0.000 0.218 77 G C 0.710 175.644 174.900 0.057 0.000 0.978 77 G CA 0.230 45.356 45.100 0.044 0.000 0.825 77 G HN 1.297 nan 8.290 nan 0.000 0.546 78 G N 0.720 109.559 108.800 0.065 0.000 2.652 78 G HA2 -0.412 3.549 3.960 0.000 0.000 0.318 78 G HA3 -0.412 3.549 3.960 0.000 0.000 0.318 78 G C 0.864 175.830 174.900 0.109 0.000 1.295 78 G CA 1.572 46.720 45.100 0.081 0.000 0.999 78 G HN 0.927 nan 8.290 nan 0.000 0.548 79 E N 1.281 121.555 120.200 0.124 0.000 2.072 79 E HA -0.047 4.303 4.350 0.000 0.000 0.191 79 E C 0.387 177.121 176.600 0.223 0.000 0.985 79 E CA 1.326 57.840 56.400 0.191 0.000 0.801 79 E CB -0.294 29.513 29.700 0.179 0.000 0.750 79 E HN 0.418 nan 8.360 nan 0.000 0.452 80 P HA -0.136 nan 4.420 nan 0.000 0.217 80 P C 1.040 178.403 177.300 0.106 0.000 1.150 80 P CA 1.651 64.804 63.100 0.089 0.000 0.832 80 P CB -0.004 31.715 31.700 0.032 0.000 0.787 81 A N 0.842 123.720 122.820 0.098 0.000 1.902 81 A HA -0.083 4.237 4.320 0.000 0.000 0.217 81 A C 2.524 180.165 177.584 0.096 0.000 1.181 81 A CA 2.291 54.382 52.037 0.091 0.000 0.623 81 A CB -1.596 17.449 19.000 0.076 0.000 0.818 81 A HN 0.223 nan 8.150 nan 0.000 0.443 82 A N -1.567 121.326 122.820 0.121 0.000 1.940 82 A HA -0.172 4.148 4.320 0.000 0.000 0.219 82 A C 2.119 179.745 177.584 0.070 0.000 1.176 82 A CA 1.715 53.827 52.037 0.125 0.000 0.631 82 A CB -0.854 18.261 19.000 0.191 0.000 0.814 82 A HN 0.752 nan 8.150 nan 0.000 0.446 83 Y N 0.279 120.484 120.300 -0.157 0.000 2.128 83 Y HA -0.226 4.324 4.550 0.000 0.000 0.284 83 Y C 2.018 177.764 175.900 -0.256 0.000 1.154 83 Y CA 2.092 59.862 58.100 -0.549 0.000 1.149 83 Y CB -0.208 37.886 38.460 -0.611 0.000 0.976 83 Y HN 0.285 nan 8.280 nan 0.000 0.505 84 I N -1.259 119.384 120.570 0.122 0.000 2.202 84 I HA -0.290 3.880 4.170 0.000 0.000 0.242 84 I C 2.218 178.353 176.117 0.032 0.000 1.091 84 I CA 1.042 62.435 61.300 0.153 0.000 1.368 84 I CB -0.560 37.563 38.000 0.206 0.000 1.058 84 I HN 0.064 nan 8.210 nan 0.000 0.410 85 V N 0.800 120.710 119.914 -0.007 0.000 2.231 85 V HA -0.301 3.819 4.120 0.000 0.000 0.248 85 V C 2.517 178.526 176.094 -0.142 0.000 1.054 85 V CA 2.015 64.285 62.300 -0.049 0.000 1.015 85 V CB -0.722 31.086 31.823 -0.024 0.000 0.638 85 V HN 0.424 nan 8.190 nan 0.000 0.444 86 E N 0.037 120.137 120.200 -0.166 0.000 2.047 86 E HA -0.171 4.179 4.350 0.000 0.000 0.191 86 E C 2.275 178.659 176.600 -0.359 0.000 0.987 86 E CA 1.041 57.314 56.400 -0.212 0.000 0.799 86 E CB -0.237 29.443 29.700 -0.033 0.000 0.752 86 E HN 0.517 nan 8.360 nan 0.000 0.449 87 K N -0.291 119.874 120.400 -0.392 0.000 2.137 87 K HA -0.017 4.303 4.320 0.000 0.000 0.202 87 K C 2.021 178.487 176.600 -0.224 0.000 1.052 87 K CA 0.861 56.907 56.287 -0.401 0.000 0.961 87 K CB -0.231 31.814 32.500 -0.758 0.000 0.741 87 K HN 0.345 nan 8.250 nan 0.000 0.452 88 H N -0.047 118.891 119.070 -0.220 0.000 2.315 88 H HA 0.222 4.778 4.556 0.000 0.000 0.318 88 H C 1.999 177.219 175.328 -0.180 0.000 1.068 88 H CA 0.321 56.308 56.048 -0.101 0.000 1.465 88 H CB 0.419 30.240 29.762 0.098 0.000 1.475 88 H HN -0.117 nan 8.280 nan 0.000 0.597 89 L N 0.493 121.724 121.223 0.013 0.000 2.313 89 L HA 0.039 4.379 4.340 0.000 0.000 0.214 89 L C 2.650 179.466 176.870 -0.091 0.000 1.119 89 L CA 0.608 55.465 54.840 0.029 0.000 0.809 89 L CB -0.238 41.835 42.059 0.022 0.000 0.933 89 L HN 0.373 nan 8.230 nan 0.000 0.449 90 A N 1.267 123.939 122.820 -0.248 0.000 2.015 90 A HA -0.196 4.124 4.320 0.000 0.000 0.219 90 A C 2.368 179.779 177.584 -0.287 0.000 1.163 90 A CA 1.326 53.185 52.037 -0.296 0.000 0.646 90 A CB -0.510 18.112 19.000 -0.631 0.000 0.806 90 A HN 0.531 nan 8.150 nan 0.000 0.448 91 R N -1.473 118.761 120.500 -0.443 0.000 2.193 91 R HA -0.097 4.243 4.340 0.000 0.000 0.229 91 R C 0.959 177.037 176.300 -0.369 0.000 1.110 91 R CA 1.731 57.563 56.100 -0.446 0.000 0.988 91 R CB -0.598 29.363 30.300 -0.565 0.000 0.871 91 R HN 0.415 nan 8.270 nan 0.000 0.458 92 F N 0.141 120.077 119.950 -0.023 0.000 2.743 92 F HA 0.204 4.731 4.527 0.000 0.000 0.297 92 F C 1.516 177.310 175.800 -0.009 0.000 1.131 92 F CA 0.116 58.107 58.000 -0.014 0.000 1.426 92 F CB 0.067 39.048 39.000 -0.031 0.000 1.116 92 F HN -0.070 nan 8.300 nan 0.000 0.583 93 L N -0.873 120.413 121.223 0.105 0.000 2.362 93 L HA 0.141 4.481 4.340 0.000 0.000 0.204 93 L C 0.603 177.502 176.870 0.048 0.000 1.060 93 L CA 0.513 55.397 54.840 0.074 0.000 0.827 93 L CB -0.182 41.911 42.059 0.057 0.000 1.027 93 L HN -0.173 nan 8.230 nan 0.000 0.474 94 E N 0.024 120.241 120.200 0.028 0.000 2.217 94 E HA 0.366 4.716 4.350 0.000 0.000 0.279 94 E C 0.801 177.419 176.600 0.029 0.000 1.068 94 E CA 0.631 57.052 56.400 0.034 0.000 0.882 94 E CB 0.354 30.082 29.700 0.046 0.000 1.039 94 E HN 0.345 nan 8.360 nan 0.000 0.418 95 G N 2.452 111.271 108.800 0.031 0.000 2.232 95 G HA2 -0.270 3.690 3.960 0.000 0.000 0.226 95 G HA3 -0.270 3.690 3.960 0.000 0.000 0.226 95 G C 0.344 175.261 174.900 0.028 0.000 0.996 95 G CA -0.168 44.948 45.100 0.027 0.000 0.626 95 G HN 0.750 nan 8.290 nan 0.000 0.509 96 A N 0.502 123.342 122.820 0.033 0.000 2.316 96 A HA 0.790 5.110 4.320 0.000 0.000 0.284 96 A C 0.740 178.335 177.584 0.019 0.000 1.115 96 A CA -0.129 51.926 52.037 0.031 0.000 0.812 96 A CB 0.378 19.403 19.000 0.042 0.000 1.064 96 A HN 0.522 nan 8.150 nan 0.000 0.489 97 R N 0.289 120.795 120.500 0.010 0.000 2.734 97 R HA 0.145 4.485 4.340 0.000 0.000 0.266 97 R C 1.396 177.687 176.300 -0.015 0.000 1.044 97 R CA 0.440 56.539 56.100 -0.002 0.000 1.128 97 R CB 0.401 30.698 30.300 -0.006 0.000 1.010 97 R HN 0.701 nan 8.270 nan 0.000 0.461 98 V N -1.187 118.713 119.914 -0.023 0.000 2.970 98 V HA -0.143 3.977 4.120 0.000 0.000 0.260 98 V C 1.663 177.700 176.094 -0.094 0.000 1.100 98 V CA 1.752 64.025 62.300 -0.045 0.000 1.122 98 V CB -0.675 31.128 31.823 -0.032 0.000 0.721 98 V HN 0.960 nan 8.190 nan 0.000 0.483 99 T N -3.289 111.216 114.554 -0.083 0.000 3.148 99 T HA 0.027 4.377 4.350 0.000 0.000 0.253 99 T C 0.774 175.409 174.700 -0.108 0.000 1.134 99 T CA 0.640 62.673 62.100 -0.111 0.000 1.051 99 T CB -0.517 68.308 68.868 -0.072 0.000 0.959 99 T HN 0.431 nan 8.240 nan 0.000 0.525 100 D N 0.914 121.270 120.400 -0.074 0.000 2.856 100 D HA 0.320 4.960 4.640 0.000 0.000 0.242 100 D C 1.168 177.444 176.300 -0.041 0.000 1.226 100 D CA -0.136 53.840 54.000 -0.039 0.000 0.855 100 D CB -0.313 40.484 40.800 -0.004 0.000 1.065 100 D HN 0.456 nan 8.370 nan 0.000 0.462 101 I N 0.202 120.711 120.570 -0.101 0.000 2.333 101 I HA -0.170 4.000 4.170 0.000 0.000 0.246 101 I C 2.244 178.378 176.117 0.027 0.000 1.106 101 I CA 0.699 61.930 61.300 -0.115 0.000 1.411 101 I CB 0.274 38.043 38.000 -0.384 0.000 1.082 101 I HN -0.023 nan 8.210 nan 0.000 0.420 102 E N 0.617 120.833 120.200 0.026 0.000 2.077 102 E HA -0.255 4.095 4.350 0.000 0.000 0.193 102 E C 2.146 178.821 176.600 0.124 0.000 0.989 102 E CA 1.098 57.545 56.400 0.077 0.000 0.800 102 E CB -0.252 29.470 29.700 0.037 0.000 0.746 102 E HN 0.446 nan 8.360 nan 0.000 0.452 103 R N 0.851 121.399 120.500 0.080 0.000 2.061 103 R HA -0.078 4.262 4.340 0.000 0.000 0.230 103 R C 2.561 178.906 176.300 0.075 0.000 1.140 103 R CA 1.141 57.285 56.100 0.074 0.000 0.940 103 R CB -0.426 29.904 30.300 0.049 0.000 0.839 103 R HN 0.045 nan 8.270 nan 0.000 0.429 104 I N -0.088 120.526 120.570 0.073 0.000 2.113 104 I HA -0.369 3.801 4.170 0.000 0.000 0.242 104 I C 2.276 178.427 176.117 0.057 0.000 1.057 104 I CA 2.095 63.434 61.300 0.065 0.000 1.314 104 I CB -0.508 37.537 38.000 0.075 0.000 1.022 104 I HN 0.433 nan 8.210 nan 0.000 0.408 105 W N 2.034 123.325 121.300 -0.014 0.000 2.318 105 W HA -0.299 4.361 4.660 0.000 0.000 0.313 105 W C 2.496 179.013 176.519 -0.004 0.000 1.221 105 W CA 2.275 59.623 57.345 0.004 0.000 1.266 105 W CB -0.301 29.176 29.460 0.028 0.000 1.150 105 W HN 0.248 nan 8.180 nan 0.000 0.496 106 D N -0.122 120.485 120.400 0.345 0.000 2.144 106 D HA -0.163 4.477 4.640 0.000 0.000 0.199 106 D C 0.802 177.076 176.300 -0.042 0.000 0.984 106 D CA 1.016 55.170 54.000 0.258 0.000 0.834 106 D CB -0.213 40.728 40.800 0.235 0.000 0.955 106 D HN 0.291 nan 8.370 nan 0.000 0.465 110 N N 0.309 118.898 118.700 -0.186 0.000 2.457 110 N HA -0.005 4.735 4.740 0.000 0.000 0.180 110 N C 1.202 176.627 175.510 -0.141 0.000 1.050 110 N CA 1.509 54.477 53.050 -0.137 0.000 0.906 110 N CB 0.228 38.702 38.487 -0.022 0.000 0.968 110 N HN 0.304 nan 8.380 nan 0.000 0.445 111 S N -0.813 114.763 115.700 -0.207 0.000 2.486 111 S HA -0.016 4.454 4.470 0.000 0.000 0.220 111 S C 1.774 176.429 174.600 0.092 0.000 1.011 111 S CA 0.743 58.949 58.200 0.010 0.000 0.921 111 S CB 0.253 63.468 63.200 0.026 0.000 0.785 111 S HN 0.542 nan 8.310 nan 0.000 0.517 112 T N -0.551 113.823 114.554 -0.301 0.000 3.069 112 T HA 0.261 4.611 4.350 0.000 0.000 0.252 112 T C 1.451 175.715 174.700 -0.727 0.000 1.053 112 T CA -0.177 61.551 62.100 -0.620 0.000 0.964 112 T CB -0.169 68.177 68.868 -0.869 0.000 1.005 112 T HN 0.051 nan 8.240 nan 0.000 0.532 113 L N 2.409 123.347 121.223 -0.474 0.000 2.043 113 L HA -0.072 4.268 4.340 0.000 0.000 0.212 113 L C 2.257 178.991 176.870 -0.226 0.000 1.075 113 L CA 1.808 56.382 54.840 -0.443 0.000 0.752 113 L CB -1.318 40.536 42.059 -0.342 0.000 0.891 113 L HN 0.670 nan 8.230 nan 0.000 0.432 114 Y N -1.143 119.109 120.300 -0.081 0.000 2.384 114 Y HA -0.239 4.311 4.550 0.000 0.000 0.289 114 Y C 1.610 177.581 175.900 0.119 0.000 1.152 114 Y CA 1.385 59.504 58.100 0.031 0.000 1.258 114 Y CB -1.292 37.218 38.460 0.083 0.000 0.979 114 Y HN 0.432 nan 8.280 nan 0.000 0.549 115 Y N -1.214 118.757 120.300 -0.548 0.000 2.707 115 Y HA 0.791 5.341 4.550 0.000 0.000 0.249 115 Y C 0.991 176.736 175.900 -0.259 0.000 1.166 115 Y CA -0.602 57.284 58.100 -0.357 0.000 1.184 115 Y CB 0.112 38.327 38.460 -0.408 0.000 1.240 115 Y HN 0.066 nan 8.280 nan 0.000 0.547 116 G N 0.693 109.225 108.800 -0.448 0.000 3.110 116 G HA2 0.380 4.340 3.960 0.000 0.000 0.207 116 G HA3 0.380 4.340 3.960 0.000 0.000 0.207 116 G C 0.435 175.201 174.900 -0.223 0.000 1.841 116 G CA -0.088 44.744 45.100 -0.447 0.000 0.751 116 G HN 0.187 nan 8.290 nan 0.000 0.771 117 R N -1.204 119.166 120.500 -0.215 0.000 1.384 117 R HA -0.192 4.148 4.340 0.000 0.000 0.053 117 R C 0.368 176.766 176.300 0.164 0.000 0.951 117 R CA 2.246 58.364 56.100 0.030 0.000 1.970 117 R CB -1.122 29.180 30.300 0.003 0.000 0.294 117 R HN 0.438 nan 8.270 nan 0.000 0.723 118 K N -1.247 119.193 120.400 0.067 0.000 2.430 118 K HA 0.532 4.852 4.320 0.000 0.000 0.268 118 K C 0.207 176.822 176.600 0.025 0.000 1.043 118 K CA -0.215 56.119 56.287 0.078 0.000 0.899 118 K CB 2.153 34.692 32.500 0.065 0.000 1.472 118 K HN 0.382 nan 8.250 nan 0.000 0.451 119 G N 0.707 109.522 108.800 0.024 0.000 2.527 119 G HA2 -0.321 3.639 3.960 0.000 0.000 0.268 119 G HA3 -0.321 3.639 3.960 0.000 0.000 0.268 119 G C 0.423 175.312 174.900 -0.019 0.000 1.175 119 G CA 0.479 45.568 45.100 -0.018 0.000 0.962 119 G HN 0.546 nan 8.290 nan 0.000 0.560 120 L N 0.535 121.738 121.223 -0.033 0.000 2.156 120 L HA 0.192 4.532 4.340 0.000 0.000 0.208 120 L C 2.957 179.820 176.870 -0.011 0.000 1.095 120 L CA 2.672 57.497 54.840 -0.024 0.000 0.770 120 L CB -0.424 41.626 42.059 -0.014 0.000 0.914 120 L HN 0.630 nan 8.230 nan 0.000 0.439 121 V N 0.039 119.924 119.914 -0.048 0.000 2.343 121 V HA -0.257 3.863 4.120 0.000 0.000 0.247 121 V C 2.491 178.539 176.094 -0.076 0.000 1.051 121 V CA 1.606 63.837 62.300 -0.116 0.000 1.036 121 V CB -0.572 31.065 31.823 -0.310 0.000 0.654 121 V HN 0.387 nan 8.190 nan 0.000 0.451 122 I N 0.600 121.164 120.570 -0.010 0.000 2.252 122 I HA -0.145 4.025 4.170 0.000 0.000 0.245 122 I C 2.266 178.452 176.117 0.116 0.000 1.102 122 I CA 1.323 62.669 61.300 0.076 0.000 1.385 122 I CB -1.857 36.239 38.000 0.160 0.000 1.064 122 I HN 0.343 nan 8.210 nan 0.000 0.414 123 N N 1.138 119.914 118.700 0.127 0.000 2.049 123 N HA -0.195 4.546 4.740 0.000 0.000 0.198 123 N C 1.824 177.403 175.510 0.115 0.000 1.030 123 N CA 2.369 55.522 53.050 0.172 0.000 0.870 123 N CB -0.913 37.645 38.487 0.119 0.000 1.045 123 N HN 0.349 nan 8.380 nan 0.000 0.434 124 T N 0.983 115.573 114.554 0.060 0.000 2.708 124 T HA -0.026 4.324 4.350 0.000 0.000 0.266 124 T C 2.047 176.758 174.700 0.019 0.000 1.037 124 T CA 0.858 62.980 62.100 0.037 0.000 1.146 124 T CB -0.319 68.561 68.868 0.019 0.000 0.865 124 T HN 0.186 nan 8.240 nan 0.000 0.435 125 I N 1.394 121.956 120.570 -0.014 0.000 2.226 125 I HA -0.191 3.979 4.170 0.000 0.000 0.245 125 I C 2.665 178.815 176.117 0.055 0.000 1.100 125 I CA 1.064 62.333 61.300 -0.052 0.000 1.374 125 I CB -0.349 37.542 38.000 -0.182 0.000 1.057 125 I HN 0.226 nan 8.210 nan 0.000 0.413 126 S N 0.808 116.577 115.700 0.116 0.000 2.368 126 S HA -0.144 4.326 4.470 0.000 0.000 0.225 126 S C 2.164 176.812 174.600 0.079 0.000 1.030 126 S CA 1.279 59.568 58.200 0.148 0.000 0.999 126 S CB -1.044 62.242 63.200 0.143 0.000 0.844 126 S HN 0.625 nan 8.310 nan 0.000 0.459 127 G N 1.945 110.775 108.800 0.049 0.000 2.459 127 G HA2 -0.200 3.760 3.960 0.000 0.000 0.217 127 G HA3 -0.200 3.760 3.960 0.000 0.000 0.217 127 G C 1.469 176.396 174.900 0.046 0.000 1.183 127 G CA 1.232 46.340 45.100 0.013 0.000 0.776 127 G HN 0.440 nan 8.290 nan 0.000 0.552 128 V N 1.222 121.175 119.914 0.066 0.000 2.343 128 V HA -0.189 3.931 4.120 0.000 0.000 0.247 128 V C 2.411 178.580 176.094 0.125 0.000 1.051 128 V CA 2.348 64.696 62.300 0.080 0.000 1.036 128 V CB -0.585 31.269 31.823 0.052 0.000 0.654 128 V HN 0.483 nan 8.190 nan 0.000 0.451 129 D N 0.072 120.576 120.400 0.173 0.000 2.104 129 D HA -0.174 4.466 4.640 0.000 0.000 0.194 129 D C 2.054 178.579 176.300 0.376 0.000 0.994 129 D CA 1.441 55.617 54.000 0.294 0.000 0.830 129 D CB -0.169 40.885 40.800 0.424 0.000 0.959 129 D HN 0.368 nan 8.370 nan 0.000 0.452 130 L N 0.010 121.391 121.223 0.264 0.000 2.083 130 L HA -0.127 4.213 4.340 0.000 0.000 0.209 130 L C 2.548 179.622 176.870 0.341 0.000 1.083 130 L CA 1.139 56.141 54.840 0.271 0.000 0.752 130 L CB -0.466 41.478 42.059 -0.192 0.000 0.899 130 L HN 0.111 nan 8.230 nan 0.000 0.433 131 A N -0.173 122.761 122.820 0.190 0.000 1.969 131 A HA -0.121 4.199 4.320 0.000 0.000 0.218 131 A C 2.234 179.933 177.584 0.192 0.000 1.169 131 A CA 1.177 53.325 52.037 0.186 0.000 0.635 131 A CB -0.546 18.548 19.000 0.156 0.000 0.810 131 A HN 0.352 nan 8.150 nan 0.000 0.445 132 L N -2.692 118.626 121.223 0.158 0.000 2.093 132 L HA -0.193 4.147 4.340 0.000 0.000 0.208 132 L C 2.507 179.373 176.870 -0.007 0.000 1.085 132 L CA 1.212 56.077 54.840 0.041 0.000 0.755 132 L CB -0.418 41.613 42.059 -0.047 0.000 0.904 132 L HN 0.605 nan 8.230 nan 0.000 0.435 133 W N 0.300 121.677 121.300 0.127 0.000 2.388 133 W HA -0.185 4.475 4.660 -0.000 0.000 0.294 133 W C 2.375 178.857 176.519 -0.062 0.000 1.212 133 W CA 1.187 58.563 57.345 0.051 0.000 1.271 133 W CB -0.258 29.274 29.460 0.119 0.000 1.126 133 W HN 0.190 nan 8.180 nan 0.000 0.535 134 D N 0.206 120.788 120.400 0.305 0.000 2.092 134 D HA -0.229 4.411 4.640 0.000 0.000 0.193 134 D C 2.055 178.412 176.300 0.095 0.000 0.994 134 D CA 1.553 55.654 54.000 0.168 0.000 0.828 134 D CB -0.387 40.584 40.800 0.285 0.000 0.963 134 D HN -0.038 nan 8.370 nan 0.000 0.450 135 L N 0.043 121.333 121.223 0.111 0.000 2.042 135 L HA -0.065 4.275 4.340 0.000 0.000 0.210 135 L C 2.135 179.020 176.870 0.025 0.000 1.076 135 L CA 1.492 56.378 54.840 0.076 0.000 0.749 135 L CB -0.934 41.169 42.059 0.074 0.000 0.893 135 L HN 0.240 nan 8.230 nan 0.000 0.432 136 L N -0.284 120.930 121.223 -0.015 0.000 2.093 136 L HA 0.053 4.393 4.340 0.000 0.000 0.208 136 L C 2.335 179.194 176.870 -0.018 0.000 1.085 136 L CA 1.935 56.744 54.840 -0.051 0.000 0.755 136 L CB -1.379 40.584 42.059 -0.160 0.000 0.904 136 L HN 0.298 nan 8.230 nan 0.000 0.435 137 G N -0.626 108.171 108.800 -0.006 0.000 2.440 137 G HA2 -0.310 3.650 3.960 0.000 0.000 0.218 137 G HA3 -0.310 3.650 3.960 0.000 0.000 0.218 137 G C 1.708 176.599 174.900 -0.015 0.000 1.154 137 G CA 0.995 46.076 45.100 -0.031 0.000 0.767 137 G HN 0.414 nan 8.290 nan 0.000 0.552 138 K N -0.324 120.082 120.400 0.009 0.000 2.148 138 K HA 0.067 4.387 4.320 0.000 0.000 0.204 138 K C 2.536 179.150 176.600 0.025 0.000 1.050 138 K CA 0.670 56.975 56.287 0.031 0.000 0.942 138 K CB -0.100 32.439 32.500 0.064 0.000 0.724 138 K HN 0.214 nan 8.250 nan 0.000 0.446 139 V N 1.082 121.005 119.914 0.015 0.000 2.379 139 V HA -0.173 3.947 4.120 0.000 0.000 0.245 139 V C 1.916 178.013 176.094 0.004 0.000 1.044 139 V CA 1.556 63.862 62.300 0.010 0.000 1.036 139 V CB -0.298 31.526 31.823 0.002 0.000 0.664 139 V HN 0.237 nan 8.190 nan 0.000 0.453 140 R N -0.389 120.110 120.500 -0.002 0.000 2.307 140 R HA 0.129 4.469 4.340 0.000 0.000 0.199 140 R C 0.531 176.829 176.300 -0.003 0.000 1.000 140 R CA -0.043 56.054 56.100 -0.004 0.000 1.023 140 R CB -0.035 30.261 30.300 -0.008 0.000 0.908 140 R HN 0.412 nan 8.270 nan 0.000 0.473 141 R N 1.148 121.649 120.500 0.001 0.000 3.416 141 R HA -0.191 4.149 4.340 0.000 0.000 0.263 141 R C -0.993 175.302 176.300 -0.008 0.000 1.053 141 R CA 0.881 56.983 56.100 0.003 0.000 0.705 141 R CB -1.712 28.593 30.300 0.009 0.000 1.124 141 R HN 0.413 nan 8.270 nan 0.000 0.444 142 E N 0.023 120.209 120.200 -0.024 0.000 2.317 142 E HA 0.373 4.723 4.350 0.000 0.000 0.270 142 E C -2.436 174.112 176.600 -0.087 0.000 0.885 142 E CA -2.376 53.992 56.400 -0.053 0.000 0.760 142 E CB 2.538 32.205 29.700 -0.055 0.000 1.227 142 E HN -0.103 nan 8.360 nan 0.000 0.434 143 P HA -0.029 nan 4.420 nan 0.000 0.272 143 P C 0.805 177.961 177.300 -0.239 0.000 1.230 143 P CA -0.089 62.915 63.100 -0.160 0.000 0.788 143 P CB 0.964 32.516 31.700 -0.247 0.000 0.949 144 V N 1.883 121.701 119.914 -0.160 0.000 2.343 144 V HA -0.277 3.843 4.120 0.000 0.000 0.247 144 V C 2.529 178.583 176.094 -0.068 0.000 1.051 144 V CA 2.671 64.835 62.300 -0.227 0.000 1.036 144 V CB -2.008 29.343 31.823 -0.787 0.000 0.654 144 V HN 0.751 nan 8.190 nan 0.000 0.451 145 H N 0.010 119.178 119.070 0.163 0.000 2.426 145 H HA -0.225 4.331 4.556 0.000 0.000 0.298 145 H C 2.050 177.352 175.328 -0.043 0.000 1.107 145 H CA 1.989 58.032 56.048 -0.008 0.000 1.298 145 H CB -0.638 29.070 29.762 -0.090 0.000 1.377 145 H HN 0.443 nan 8.280 nan 0.000 0.519 146 Q N 0.208 119.873 119.800 -0.226 0.000 2.297 146 Q HA 0.046 4.386 4.340 0.000 0.000 0.204 146 Q C 1.940 177.918 176.000 -0.036 0.000 0.962 146 Q CA 1.050 56.802 55.803 -0.085 0.000 0.879 146 Q CB 0.124 28.779 28.738 -0.138 0.000 0.947 146 Q HN 0.583 nan 8.270 nan 0.000 0.462 147 L N -0.343 120.864 121.223 -0.026 0.000 2.418 147 L HA -0.010 4.330 4.340 0.000 0.000 0.218 147 L C 1.204 178.105 176.870 0.052 0.000 1.125 147 L CA 0.436 55.316 54.840 0.066 0.000 0.835 147 L CB 0.003 42.185 42.059 0.205 0.000 0.953 147 L HN 0.166 nan 8.230 nan 0.000 0.454 148 L N 0.156 121.350 121.223 -0.049 0.000 2.928 148 L HA 0.385 4.725 4.340 0.000 0.000 0.246 148 L C 1.097 177.898 176.870 -0.116 0.000 1.239 148 L CA 0.174 54.937 54.840 -0.128 0.000 1.035 148 L CB 0.070 41.972 42.059 -0.260 0.000 1.360 148 L HN 0.360 nan 8.230 nan 0.000 0.529 149 G N -0.481 108.284 108.800 -0.059 0.000 2.157 149 G HA2 -0.081 3.879 3.960 0.000 0.000 0.239 149 G HA3 -0.081 3.879 3.960 0.000 0.000 0.239 149 G C 0.589 175.459 174.900 -0.050 0.000 0.982 149 G CA -0.082 44.984 45.100 -0.057 0.000 0.650 149 G HN 0.874 nan 8.290 nan 0.000 0.527 150 G N -0.843 107.942 108.800 -0.026 0.000 2.716 150 G HA2 0.434 4.394 3.960 0.000 0.000 0.686 150 G HA3 0.434 4.394 3.960 0.000 0.000 0.686 150 G C 0.484 175.365 174.900 -0.031 0.000 1.337 150 G CA 0.809 45.917 45.100 0.013 0.000 0.829 150 G HN 2.218 nan 8.290 nan 0.000 0.599 151 A N -0.041 122.759 122.820 -0.033 0.000 2.561 151 A HA 0.573 4.893 4.320 0.000 0.000 0.234 151 A C 1.783 179.308 177.584 -0.099 0.000 1.055 151 A CA 1.194 53.160 52.037 -0.119 0.000 0.756 151 A CB 0.509 19.390 19.000 -0.197 0.000 0.986 151 A HN 2.387 nan 8.150 nan 0.000 0.505 152 V N -0.326 119.521 119.914 -0.110 0.000 3.605 152 V HA 0.313 4.433 4.120 0.000 0.000 0.284 152 V C 0.534 176.576 176.094 -0.086 0.000 1.386 152 V CA 0.477 62.722 62.300 -0.091 0.000 1.053 152 V CB -1.101 30.666 31.823 -0.093 0.000 0.857 152 V HN 0.947 nan 8.190 nan 0.000 0.436 153 R N -0.996 119.441 120.500 -0.104 0.000 2.837 153 R HA 0.571 4.911 4.340 0.000 0.000 0.271 153 R C -0.625 175.605 176.300 -0.116 0.000 0.993 153 R CA -0.554 55.487 56.100 -0.098 0.000 0.931 153 R CB 1.508 31.750 30.300 -0.097 0.000 1.206 153 R HN -0.041 nan 8.270 nan 0.000 0.474 154 D N 0.437 120.777 120.400 -0.100 0.000 2.213 154 D HA -0.050 4.590 4.640 0.000 0.000 0.205 154 D C -0.120 176.108 176.300 -0.119 0.000 0.961 154 D CA 1.290 55.229 54.000 -0.103 0.000 0.853 154 D CB 0.510 41.264 40.800 -0.078 0.000 0.967 154 D HN 0.639 nan 8.370 nan 0.000 0.496 155 E N 0.050 120.178 120.200 -0.121 0.000 2.367 155 E HA 0.481 4.832 4.350 0.000 0.000 0.273 155 E C -0.824 175.674 176.600 -0.169 0.000 0.903 155 E CA -0.795 55.523 56.400 -0.138 0.000 0.764 155 E CB 1.866 31.496 29.700 -0.116 0.000 1.252 155 E HN -0.137 nan 8.360 nan 0.000 0.446 156 L N 2.193 123.280 121.223 -0.227 0.000 2.326 156 L HA 0.250 4.590 4.340 0.000 0.000 0.278 156 L C 0.215 176.820 176.870 -0.441 0.000 1.092 156 L CA -0.715 53.904 54.840 -0.368 0.000 0.810 156 L CB 0.880 42.618 42.059 -0.535 0.000 1.153 156 L HN 0.595 nan 8.230 nan 0.000 0.439 157 Q N 2.158 121.737 119.800 -0.368 0.000 2.256 157 Q HA 0.594 4.934 4.340 0.000 0.000 0.257 157 Q C -1.489 174.337 176.000 -0.289 0.000 0.936 157 Q CA -0.609 55.045 55.803 -0.247 0.000 0.903 157 Q CB 1.720 30.413 28.738 -0.074 0.000 1.263 157 Q HN 0.330 nan 8.270 nan 0.000 0.440 158 F N 1.943 121.972 119.950 0.132 0.000 2.480 158 F HA 0.375 4.902 4.527 0.000 0.000 0.329 158 F C -0.326 175.715 175.800 0.402 0.000 1.091 158 F CA -1.058 57.103 58.000 0.268 0.000 0.972 158 F CB 1.141 40.342 39.000 0.335 0.000 1.150 158 F HN 0.590 nan 8.300 nan 0.000 0.467 159 Y N 1.099 121.697 120.300 0.497 0.000 2.354 159 Y HA 0.838 5.388 4.550 0.000 0.000 0.322 159 Y C -0.649 175.367 175.900 0.193 0.000 1.253 159 Y CA -1.769 56.511 58.100 0.300 0.000 1.272 159 Y CB 0.602 39.150 38.460 0.146 0.000 1.255 159 Y HN 0.667 nan 8.280 nan 0.000 0.500 160 A N 1.791 124.641 122.820 0.050 0.000 2.318 160 A HA 0.625 4.945 4.320 0.000 0.000 0.324 160 A C -0.735 176.827 177.584 -0.036 0.000 1.170 160 A CA -0.761 51.083 52.037 -0.321 0.000 0.810 160 A CB 0.441 18.908 19.000 -0.889 0.000 1.198 160 A HN 0.806 nan 8.150 nan 0.000 0.484 161 T N 1.792 116.306 114.554 -0.067 0.000 2.770 161 T HA 0.691 5.041 4.350 0.000 0.000 0.297 161 T C 0.349 174.926 174.700 -0.205 0.000 0.997 161 T CA 0.356 62.460 62.100 0.005 0.000 0.949 161 T CB 0.998 69.960 68.868 0.157 0.000 0.941 161 T HN 1.454 nan 8.240 nan 0.000 0.457 162 G N 0.947 109.463 108.800 -0.473 0.000 2.340 162 G HA2 0.528 4.488 3.960 0.000 0.000 0.299 162 G HA3 0.528 4.488 3.960 0.000 0.000 0.299 162 G C 0.405 174.777 174.900 -0.880 0.000 1.291 162 G CA -0.145 44.158 45.100 -1.328 0.000 0.841 162 G HN 0.543 nan 8.290 nan 0.000 0.500 163 A N -0.819 121.395 122.820 -1.011 0.000 2.168 163 A HA 0.262 4.582 4.320 0.000 0.000 0.215 163 A C 1.179 178.652 177.584 -0.185 0.000 1.152 163 A CA 1.022 52.865 52.037 -0.324 0.000 0.716 163 A CB -0.116 18.834 19.000 -0.083 0.000 0.794 163 A HN 0.254 nan 8.150 nan 0.000 0.465 164 R N -0.701 119.651 120.500 -0.247 0.000 2.564 164 R HA 0.256 4.596 4.340 0.000 0.000 0.282 164 R C -2.551 173.696 176.300 -0.088 0.000 1.573 164 R CA -1.849 54.174 56.100 -0.128 0.000 1.588 164 R CB 0.247 30.481 30.300 -0.110 0.000 1.154 164 R HN 0.175 nan 8.270 nan 0.000 0.606 165 P HA -0.139 nan 4.420 nan 0.000 0.222 165 P C 0.850 178.177 177.300 0.044 0.000 1.147 165 P CA 1.002 64.148 63.100 0.077 0.000 0.790 165 P CB 0.348 32.120 31.700 0.119 0.000 0.780 166 D N 0.181 120.556 120.400 -0.042 0.000 2.117 166 D HA -0.170 4.470 4.640 0.000 0.000 0.197 166 D C 1.862 178.093 176.300 -0.116 0.000 0.987 166 D CA 1.284 55.215 54.000 -0.114 0.000 0.829 166 D CB -1.231 39.521 40.800 -0.081 0.000 0.961 166 D HN 0.202 nan 8.370 nan 0.000 0.460 167 L N 0.272 121.460 121.223 -0.059 0.000 2.156 167 L HA 0.041 4.381 4.340 0.000 0.000 0.208 167 L C 2.797 179.683 176.870 0.026 0.000 1.095 167 L CA 0.908 55.732 54.840 -0.027 0.000 0.770 167 L CB -0.463 41.586 42.059 -0.016 0.000 0.914 167 L HN 0.067 nan 8.230 nan 0.000 0.439 168 A N -0.441 122.411 122.820 0.054 0.000 1.972 168 A HA -0.271 4.049 4.320 0.000 0.000 0.219 168 A C 2.280 180.034 177.584 0.283 0.000 1.169 168 A CA 1.715 53.877 52.037 0.209 0.000 0.635 168 A CB -0.475 18.602 19.000 0.129 0.000 0.810 168 A HN 0.489 nan 8.150 nan 0.000 0.446 169 Q N 0.105 119.865 119.800 -0.065 0.000 2.079 169 Q HA -0.121 4.219 4.340 0.000 0.000 0.200 169 Q C 0.575 176.488 176.000 -0.145 0.000 0.974 169 Q CA 1.028 56.606 55.803 -0.374 0.000 0.840 169 Q CB -0.076 28.021 28.738 -1.068 0.000 0.898 169 Q HN 0.657 nan 8.270 nan 0.000 0.430 173 F N 0.260 120.268 119.950 0.097 0.000 2.490 173 F HA 0.408 4.935 4.527 0.000 0.000 0.336 173 F C 1.668 177.570 175.800 0.170 0.000 1.178 173 F CA -0.208 57.882 58.000 0.151 0.000 1.301 173 F CB 1.054 40.180 39.000 0.211 0.000 1.175 173 F HN -0.049 nan 8.300 nan 0.000 0.593 174 I N 0.256 120.948 120.570 0.203 0.000 3.419 174 I HA 0.263 4.433 4.170 0.000 0.000 0.286 174 I C 0.702 176.461 176.117 -0.596 0.000 1.268 174 I CA 0.581 61.764 61.300 -0.194 0.000 1.414 174 I CB -0.351 37.410 38.000 -0.398 0.000 1.074 174 I HN 0.575 nan 8.210 nan 0.000 0.457 175 G N -0.877 107.635 108.800 -0.480 0.000 2.547 175 G HA2 0.495 4.455 3.960 0.000 0.000 0.291 175 G HA3 0.495 4.455 3.960 0.000 0.000 0.291 175 G C -1.265 173.411 174.900 -0.373 0.000 1.471 175 G CA -0.161 44.380 45.100 -0.932 0.000 0.798 175 G HN 0.098 nan 8.290 nan 0.000 0.504 176 G N 0.041 108.605 108.800 -0.394 0.000 2.644 176 G HA2 0.591 4.551 3.960 0.000 0.000 0.300 176 G HA3 0.591 4.551 3.960 0.000 0.000 0.300 176 G C -0.482 174.323 174.900 -0.158 0.000 1.395 176 G CA -0.408 44.664 45.100 -0.047 0.000 0.964 176 G HN 0.595 nan 8.290 nan 0.000 0.511 180 L N 2.418 123.621 121.223 -0.032 0.000 2.410 180 L HA 0.228 4.568 4.340 0.000 0.000 0.273 180 L C 1.162 177.859 176.870 -0.288 0.000 1.152 180 L CA 0.612 55.330 54.840 -0.204 0.000 0.855 180 L CB 0.322 42.256 42.059 -0.210 0.000 1.129 180 L HN 0.474 nan 8.230 nan 0.000 0.463 181 H N 2.266 121.290 119.070 -0.076 0.000 2.654 181 H HA 0.280 4.836 4.556 0.000 0.000 0.264 181 H C -0.562 174.525 175.328 -0.402 0.000 0.954 181 H CA 0.038 55.956 56.048 -0.216 0.000 1.199 181 H CB 0.314 29.893 29.762 -0.305 0.000 1.446 181 H HN 0.487 nan 8.280 nan 0.000 0.516 182 H N 0.045 119.237 119.070 0.204 0.000 2.658 182 H HA 0.399 4.955 4.556 0.000 0.000 0.337 182 H C 0.299 175.627 175.328 0.001 0.000 1.009 182 H CA -0.534 55.602 56.048 0.147 0.000 1.231 182 H CB 1.571 31.439 29.762 0.175 0.000 1.508 182 H HN 0.330 nan 8.280 nan 0.000 0.517 183 G N 2.032 110.829 108.800 -0.006 0.000 2.557 183 G HA2 0.235 4.195 3.960 0.000 0.000 0.302 183 G HA3 0.235 4.195 3.960 0.000 0.000 0.302 183 G C -1.611 173.005 174.900 -0.473 0.000 1.311 183 G CA -1.580 43.355 45.100 -0.274 0.000 1.030 183 G HN 0.238 nan 8.290 nan 0.000 0.509 184 P HA -0.097 nan 4.420 nan 0.000 0.218 184 P C 1.948 179.120 177.300 -0.213 0.000 1.148 184 P CA 1.833 64.538 63.100 -0.658 0.000 0.822 184 P CB 0.130 31.568 31.700 -0.436 0.000 0.784 185 S N -1.449 114.154 115.700 -0.161 0.000 2.660 185 S HA 0.038 4.508 4.470 0.000 0.000 0.223 185 S C 1.191 175.776 174.600 -0.026 0.000 0.963 185 S CA 0.340 58.491 58.200 -0.082 0.000 0.932 185 S CB -0.868 62.271 63.200 -0.103 0.000 0.775 185 S HN 0.219 nan 8.310 nan 0.000 0.531 186 E N 0.811 121.008 120.200 -0.005 0.000 2.538 186 E HA 0.398 4.748 4.350 0.000 0.000 0.207 186 E C 1.073 177.710 176.600 0.062 0.000 1.002 186 E CA -0.031 56.399 56.400 0.050 0.000 0.952 186 E CB 0.646 30.415 29.700 0.114 0.000 1.031 186 E HN 0.618 nan 8.360 nan 0.000 0.476 187 G N 1.883 110.732 108.800 0.081 0.000 2.645 187 G HA2 -0.319 3.641 3.960 0.000 0.000 0.239 187 G HA3 -0.319 3.641 3.960 0.000 0.000 0.239 187 G C 0.572 175.560 174.900 0.147 0.000 1.331 187 G CA -0.059 45.105 45.100 0.105 0.000 0.890 187 G HN 0.183 nan 8.290 nan 0.000 0.572 188 E N -0.125 120.129 120.200 0.090 0.000 2.110 188 E HA -0.111 4.239 4.350 0.000 0.000 0.193 188 E C 2.252 178.877 176.600 0.043 0.000 0.988 188 E CA 1.659 58.097 56.400 0.062 0.000 0.804 188 E CB -0.242 29.478 29.700 0.033 0.000 0.745 188 E HN 0.556 nan 8.360 nan 0.000 0.458 189 E N 0.740 120.954 120.200 0.023 0.000 2.038 189 E HA -0.137 4.213 4.350 0.000 0.000 0.195 189 E C 2.126 178.690 176.600 -0.059 0.000 1.000 189 E CA 1.680 58.070 56.400 -0.017 0.000 0.803 189 E CB -0.847 28.836 29.700 -0.028 0.000 0.750 189 E HN 0.276 nan 8.360 nan 0.000 0.448 190 G N 0.470 109.242 108.800 -0.046 0.000 2.422 190 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 190 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 190 G C 1.621 176.578 174.900 0.094 0.000 1.146 190 G CA 0.894 45.941 45.100 -0.088 0.000 0.769 190 G HN 0.336 nan 8.290 nan 0.000 0.547 191 L N 0.344 121.668 121.223 0.168 0.000 1.989 191 L HA -0.016 4.324 4.340 0.000 0.000 0.211 191 L C 2.849 179.757 176.870 0.064 0.000 1.071 191 L CA 2.135 57.042 54.840 0.112 0.000 0.749 191 L CB -0.332 41.726 42.059 -0.002 0.000 0.890 191 L HN 0.125 nan 8.230 nan 0.000 0.431 192 K N -0.769 119.653 120.400 0.036 0.000 2.103 192 K HA -0.193 4.127 4.320 0.000 0.000 0.207 192 K C 2.109 178.734 176.600 0.042 0.000 1.048 192 K CA 1.618 57.926 56.287 0.035 0.000 0.930 192 K CB -0.074 32.436 32.500 0.018 0.000 0.716 192 K HN 0.299 nan 8.250 nan 0.000 0.444 193 K N 0.338 120.742 120.400 0.007 0.000 2.057 193 K HA -0.072 4.248 4.320 0.000 0.000 0.206 193 K C 1.811 178.526 176.600 0.191 0.000 1.050 193 K CA 1.039 57.346 56.287 0.034 0.000 0.935 193 K CB -0.143 32.248 32.500 -0.181 0.000 0.715 193 K HN 0.118 nan 8.250 nan 0.000 0.439 194 N N 1.414 120.262 118.700 0.247 0.000 2.061 194 N HA -0.153 4.587 4.740 0.000 0.000 0.193 194 N C 1.802 177.479 175.510 0.279 0.000 1.030 194 N CA 1.202 54.403 53.050 0.251 0.000 0.856 194 N CB -0.291 38.256 38.487 0.101 0.000 1.023 194 N HN 0.150 nan 8.380 nan 0.000 0.424 195 L N 0.647 121.985 121.223 0.192 0.000 2.478 195 L HA 0.002 4.342 4.340 0.000 0.000 0.223 195 L C 1.939 178.822 176.870 0.022 0.000 1.140 195 L CA 0.535 55.474 54.840 0.165 0.000 0.842 195 L CB -0.157 42.008 42.059 0.177 0.000 0.953 195 L HN 0.149 nan 8.230 nan 0.000 0.452 196 E N 0.231 120.464 120.200 0.055 0.000 2.076 196 E HA -0.170 4.180 4.350 0.000 0.000 0.190 196 E C 1.969 178.564 176.600 -0.008 0.000 0.979 196 E CA 0.671 57.072 56.400 0.001 0.000 0.807 196 E CB 0.175 29.896 29.700 0.035 0.000 0.761 196 E HN 0.430 nan 8.360 nan 0.000 0.454 197 E N 0.597 120.851 120.200 0.091 0.000 2.110 197 E HA -0.178 4.172 4.350 0.000 0.000 0.193 197 E C 2.116 178.727 176.600 0.018 0.000 0.988 197 E CA 0.570 57.036 56.400 0.110 0.000 0.804 197 E CB 0.029 29.887 29.700 0.263 0.000 0.745 197 E HN 0.243 nan 8.360 nan 0.000 0.458 198 L N 0.272 121.489 121.223 -0.010 0.000 2.056 198 L HA -0.133 4.207 4.340 0.000 0.000 0.207 198 L C 2.405 179.033 176.870 -0.404 0.000 1.078 198 L CA 0.965 55.678 54.840 -0.212 0.000 0.749 198 L CB -0.285 41.671 42.059 -0.171 0.000 0.901 198 L HN 0.129 nan 8.230 nan 0.000 0.433 199 A N -0.662 121.796 122.820 -0.605 0.000 1.908 199 A HA -0.114 4.206 4.320 0.000 0.000 0.218 199 A C 1.481 178.911 177.584 -0.255 0.000 1.181 199 A CA 1.649 53.244 52.037 -0.738 0.000 0.627 199 A CB -0.826 17.846 19.000 -0.547 0.000 0.818 199 A HN 0.436 nan 8.150 nan 0.000 0.445 203 E N 0.643 120.858 120.200 0.026 0.000 2.077 203 E HA -0.123 4.227 4.350 0.000 0.000 0.193 203 E C 1.430 178.030 176.600 -0.000 0.000 0.989 203 E CA 1.335 57.750 56.400 0.025 0.000 0.800 203 E CB 0.092 29.806 29.700 0.023 0.000 0.746 203 E HN 0.208 nan 8.360 nan 0.000 0.452 204 R N -0.325 120.164 120.500 -0.019 0.000 2.105 204 R HA -0.140 4.200 4.340 0.000 0.000 0.239 204 R C 2.320 178.576 176.300 -0.073 0.000 1.135 204 R CA 1.594 57.668 56.100 -0.044 0.000 0.967 204 R CB -0.023 30.246 30.300 -0.051 0.000 0.861 204 R HN 0.243 nan 8.270 nan 0.000 0.442 205 V N -3.816 116.060 119.914 -0.062 0.000 3.643 205 V HA 0.450 4.570 4.120 0.000 0.000 0.280 205 V C 0.835 176.911 176.094 -0.031 0.000 1.351 205 V CA 0.207 62.438 62.300 -0.116 0.000 1.073 205 V CB -0.179 31.561 31.823 -0.137 0.000 0.863 205 V HN 0.393 nan 8.190 nan 0.000 0.436 206 G N 1.596 110.404 108.800 0.013 0.000 2.855 206 G HA2 -0.171 3.789 3.960 0.000 0.000 0.352 206 G HA3 -0.171 3.789 3.960 0.000 0.000 0.352 206 G C -1.076 173.870 174.900 0.077 0.000 1.415 206 G CA -0.043 45.079 45.100 0.036 0.000 0.871 206 G HN 0.360 nan 8.290 nan 0.000 0.543 207 P HA 0.002 nan 4.420 nan 0.000 0.220 207 P C 0.727 178.088 177.300 0.101 0.000 1.148 207 P CA 1.926 65.072 63.100 0.077 0.000 0.803 207 P CB 0.133 31.866 31.700 0.055 0.000 0.782 208 D N -1.884 118.585 120.400 0.116 0.000 2.422 208 D HA 0.045 4.685 4.640 0.000 0.000 0.218 208 D C 0.572 176.976 176.300 0.172 0.000 1.047 208 D CA -0.269 53.809 54.000 0.130 0.000 0.885 208 D CB -0.355 40.496 40.800 0.086 0.000 1.035 208 D HN 0.066 nan 8.370 nan 0.000 0.502 209 F N 2.043 121.993 119.950 -0.001 0.000 2.623 209 F HA -0.037 4.490 4.527 0.000 0.000 0.383 209 F C 0.050 175.900 175.800 0.083 0.000 1.077 209 F CA -0.624 57.355 58.000 -0.034 0.000 1.268 209 F CB 0.371 39.347 39.000 -0.040 0.000 1.053 209 F HN -0.129 nan 8.300 nan 0.000 0.571 210 W N 8.272 129.139 121.300 -0.722 0.000 2.303 210 W HA 0.394 5.054 4.660 -0.000 0.000 0.318 210 W C -0.494 175.626 176.519 -0.664 0.000 1.362 210 W CA -0.775 56.190 57.345 -0.635 0.000 1.234 210 W CB -0.154 28.889 29.460 -0.695 0.000 1.248 210 W HN 0.357 nan 8.180 nan 0.000 0.546 214 D N 1.828 122.489 120.400 0.436 0.000 2.391 214 D HA 0.498 5.138 4.640 0.000 0.000 0.245 214 D C -0.357 176.146 176.300 0.339 0.000 1.069 214 D CA -0.355 53.885 54.000 0.400 0.000 0.831 214 D CB 1.501 42.550 40.800 0.417 0.000 1.204 214 D HN 0.519 nan 8.370 nan 0.000 0.503 215 C N 3.431 122.919 119.300 0.313 0.000 3.183 215 C HA 0.325 4.785 4.460 0.000 0.000 0.285 215 C C 0.346 175.519 174.990 0.305 0.000 1.313 215 C CA -0.790 58.367 59.018 0.233 0.000 1.711 215 C CB -2.239 25.600 27.740 0.164 0.000 2.135 215 C HN 0.847 nan 8.230 nan 0.000 0.651 219 L N 2.456 123.641 121.223 -0.063 0.000 2.376 219 L HA 0.798 5.138 4.340 0.000 0.000 0.267 219 L C -0.037 176.789 176.870 -0.073 0.000 1.035 219 L CA -0.964 53.830 54.840 -0.078 0.000 0.800 219 L CB 0.557 42.646 42.059 0.050 0.000 1.290 219 L HN 0.341 nan 8.230 nan 0.000 0.462 220 D N -0.867 119.511 120.400 -0.037 0.000 2.442 220 D HA 0.303 4.943 4.640 0.000 0.000 0.254 220 D C 0.623 176.932 176.300 0.016 0.000 1.069 220 D CA -0.798 53.187 54.000 -0.024 0.000 1.017 220 D CB 1.252 42.041 40.800 -0.018 0.000 1.172 220 D HN 0.326 nan 8.370 nan 0.000 0.561 221 L N 0.545 121.762 121.223 -0.010 0.000 2.046 221 L HA -0.123 4.217 4.340 0.000 0.000 0.208 221 L C 1.617 178.503 176.870 0.027 0.000 1.077 221 L CA 1.853 56.688 54.840 -0.007 0.000 0.747 221 L CB -0.948 41.103 42.059 -0.013 0.000 0.896 221 L HN 0.686 nan 8.230 nan 0.000 0.432 222 N N -1.525 117.200 118.700 0.042 0.000 2.142 222 N HA -0.284 4.456 4.740 0.000 0.000 0.186 222 N C 2.138 177.684 175.510 0.060 0.000 1.023 222 N CA 1.482 54.558 53.050 0.043 0.000 0.852 222 N CB -0.302 38.208 38.487 0.038 0.000 0.998 222 N HN 0.531 nan 8.380 nan 0.000 0.424 223 Y N 1.565 121.857 120.300 -0.013 0.000 2.128 223 Y HA -0.196 4.354 4.550 0.000 0.000 0.284 223 Y C 2.519 178.418 175.900 -0.002 0.000 1.154 223 Y CA 2.210 60.306 58.100 -0.007 0.000 1.149 223 Y CB -0.518 37.934 38.460 -0.014 0.000 0.976 223 Y HN 0.180 nan 8.280 nan 0.000 0.505 224 A N -0.981 121.944 122.820 0.174 0.000 1.933 224 A HA -0.196 4.125 4.320 0.000 0.000 0.218 224 A C 2.178 179.781 177.584 0.032 0.000 1.175 224 A CA 2.221 54.318 52.037 0.101 0.000 0.628 224 A CB -1.252 17.792 19.000 0.073 0.000 0.814 224 A HN 0.523 nan 8.150 nan 0.000 0.444 225 T N -0.391 114.172 114.554 0.015 0.000 2.777 225 T HA -0.116 4.234 4.350 0.000 0.000 0.266 225 T C 2.056 176.743 174.700 -0.022 0.000 1.040 225 T CA 1.527 63.631 62.100 0.006 0.000 1.141 225 T CB -0.185 68.688 68.868 0.009 0.000 0.868 225 T HN 0.538 nan 8.240 nan 0.000 0.444 226 R N 0.149 120.603 120.500 -0.077 0.000 2.075 226 R HA 0.146 4.486 4.340 0.000 0.000 0.226 226 R C 2.430 178.650 176.300 -0.132 0.000 1.114 226 R CA 0.643 56.675 56.100 -0.113 0.000 0.972 226 R CB -0.562 29.639 30.300 -0.165 0.000 0.869 226 R HN 0.221 nan 8.270 nan 0.000 0.437 227 L N 1.123 122.218 121.223 -0.214 0.000 2.012 227 L HA -0.154 4.186 4.340 0.000 0.000 0.210 227 L C 2.330 179.216 176.870 0.027 0.000 1.073 227 L CA 2.067 56.830 54.840 -0.129 0.000 0.748 227 L CB -0.600 41.366 42.059 -0.154 0.000 0.891 227 L HN 0.145 nan 8.230 nan 0.000 0.431 228 A N -0.555 122.292 122.820 0.046 0.000 1.917 228 A HA -0.292 4.028 4.320 0.000 0.000 0.219 228 A C 2.563 180.190 177.584 0.071 0.000 1.182 228 A CA 2.151 54.240 52.037 0.088 0.000 0.633 228 A CB -0.703 18.347 19.000 0.083 0.000 0.819 228 A HN 0.528 nan 8.150 nan 0.000 0.448 229 R N -1.073 119.449 120.500 0.036 0.000 2.119 229 R HA -0.048 4.292 4.340 0.000 0.000 0.222 229 R C 2.222 178.542 176.300 0.033 0.000 1.088 229 R CA 0.990 57.106 56.100 0.028 0.000 0.984 229 R CB -0.428 29.878 30.300 0.009 0.000 0.884 229 R HN 0.508 nan 8.270 nan 0.000 0.447 230 G N -0.391 108.435 108.800 0.043 0.000 2.448 230 G HA2 -0.179 3.781 3.960 0.000 0.000 0.218 230 G HA3 -0.179 3.781 3.960 0.000 0.000 0.218 230 G C 1.283 176.277 174.900 0.155 0.000 1.135 230 G CA 0.585 45.732 45.100 0.078 0.000 0.784 230 G HN 0.396 nan 8.290 nan 0.000 0.543 231 A N 0.266 123.189 122.820 0.171 0.000 2.167 231 A HA 0.202 4.522 4.320 0.000 0.000 0.214 231 A C 2.170 179.843 177.584 0.149 0.000 1.151 231 A CA 1.073 53.249 52.037 0.231 0.000 0.735 231 A CB -0.296 18.846 19.000 0.238 0.000 0.802 231 A HN 0.338 nan 8.150 nan 0.000 0.467 232 R N 0.273 120.818 120.500 0.075 0.000 2.148 232 R HA -0.163 4.177 4.340 0.000 0.000 0.227 232 R C 1.976 178.258 176.300 -0.030 0.000 1.103 232 R CA 1.598 57.713 56.100 0.025 0.000 0.983 232 R CB -0.191 30.117 30.300 0.013 0.000 0.874 232 R HN 0.718 nan 8.270 nan 0.000 0.451 233 E N -0.327 119.811 120.200 -0.104 0.000 2.058 233 E HA -0.220 4.130 4.350 0.000 0.000 0.194 233 E C 0.570 176.960 176.600 -0.350 0.000 0.997 233 E CA 1.402 57.620 56.400 -0.305 0.000 0.801 233 E CB -0.108 29.271 29.700 -0.536 0.000 0.746 233 E HN 0.493 nan 8.360 nan 0.000 0.450 234 Y N -0.432 119.878 120.300 0.018 0.000 2.493 234 Y HA 0.344 4.894 4.550 0.000 0.000 0.275 234 Y C 1.141 177.037 175.900 -0.006 0.000 1.183 234 Y CA 0.213 58.318 58.100 0.008 0.000 1.258 234 Y CB 0.755 39.220 38.460 0.009 0.000 1.108 234 Y HN 0.224 nan 8.280 nan 0.000 0.521 235 G N 1.079 109.927 108.800 0.079 0.000 2.246 235 G HA2 -0.332 3.628 3.960 0.000 0.000 0.273 235 G HA3 -0.332 3.628 3.960 0.000 0.000 0.273 235 G C -0.067 174.839 174.900 0.011 0.000 1.055 235 G CA -0.013 45.110 45.100 0.038 0.000 0.851 235 G HN 0.364 nan 8.290 nan 0.000 0.500 236 L N -0.279 120.952 121.223 0.014 0.000 2.499 236 L HA 0.403 4.743 4.340 0.000 0.000 0.273 236 L C 1.731 178.550 176.870 -0.086 0.000 1.195 236 L CA 0.960 55.767 54.840 -0.056 0.000 0.882 236 L CB 0.560 42.612 42.059 -0.012 0.000 1.133 236 L HN 0.247 nan 8.230 nan 0.000 0.483 237 K N 4.133 124.406 120.400 -0.211 0.000 2.021 237 K HA -0.007 4.313 4.320 0.000 0.000 0.205 237 K C -0.505 176.061 176.600 -0.056 0.000 1.047 237 K CA 1.150 57.281 56.287 -0.261 0.000 0.943 237 K CB 0.147 32.294 32.500 -0.589 0.000 0.725 237 K HN 0.745 nan 8.250 nan 0.000 0.439 238 W N -0.229 120.986 121.300 -0.142 0.000 3.118 238 W HA 0.483 5.143 4.660 0.000 0.000 0.328 238 W C -1.801 174.732 176.519 0.024 0.000 1.239 238 W CA -1.442 55.866 57.345 -0.062 0.000 1.176 238 W CB 0.249 29.660 29.460 -0.083 0.000 1.433 238 W HN -0.148 nan 8.180 nan 0.000 0.562 239 I N 2.667 123.525 120.570 0.480 0.000 2.378 239 I HA 0.452 4.622 4.170 0.000 0.000 0.291 239 I C -0.794 175.596 176.117 0.455 0.000 0.992 239 I CA -0.677 60.881 61.300 0.430 0.000 1.154 239 I CB 1.445 39.621 38.000 0.293 0.000 1.315 239 I HN 0.707 nan 8.210 nan 0.000 0.448 240 E N 7.046 127.532 120.200 0.476 0.000 2.210 240 E HA 0.251 4.601 4.350 0.000 0.000 0.266 240 E C -0.613 176.189 176.600 0.338 0.000 0.883 240 E CA -0.421 56.223 56.400 0.406 0.000 0.761 240 E CB 1.184 31.226 29.700 0.569 0.000 1.156 240 E HN 0.653 nan 8.360 nan 0.000 0.412 241 E N 2.265 122.642 120.200 0.295 0.000 2.228 241 E HA -0.305 4.045 4.350 0.000 0.000 0.213 241 E C 0.339 177.105 176.600 0.277 0.000 1.282 241 E CA 0.421 57.002 56.400 0.301 0.000 0.707 241 E CB -1.087 28.755 29.700 0.235 0.000 1.150 241 E HN 0.655 nan 8.360 nan 0.000 0.362 242 A N 0.006 122.993 122.820 0.279 0.000 2.015 242 A HA 0.057 4.377 4.320 0.000 0.000 0.219 242 A C 1.058 178.615 177.584 -0.045 0.000 1.163 242 A CA 0.897 52.996 52.037 0.104 0.000 0.646 242 A CB 0.275 19.317 19.000 0.071 0.000 0.806 242 A HN 0.282 nan 8.150 nan 0.000 0.448 243 L N -1.766 119.362 121.223 -0.158 0.000 2.327 243 L HA 0.435 4.775 4.340 0.000 0.000 0.258 243 L C -2.726 174.095 176.870 -0.081 0.000 1.024 243 L CA -2.657 52.023 54.840 -0.266 0.000 0.825 243 L CB 1.590 43.257 42.059 -0.653 0.000 1.386 243 L HN -0.184 nan 8.230 nan 0.000 0.417 244 P HA 0.062 nan 4.420 nan 0.000 0.267 244 P C -2.202 175.070 177.300 -0.046 0.000 1.200 244 P CA -0.771 62.266 63.100 -0.104 0.000 0.772 244 P CB 0.042 31.673 31.700 -0.115 0.000 0.855 245 P HA -0.045 nan 4.420 nan 0.000 0.231 245 P C 0.552 177.620 177.300 -0.386 0.000 1.168 245 P CA 1.098 64.103 63.100 -0.159 0.000 0.779 245 P CB 0.105 31.708 31.700 -0.162 0.000 0.844 246 D N -0.370 119.876 120.400 -0.256 0.000 2.348 246 D HA -0.093 4.547 4.640 0.000 0.000 0.216 246 D C 0.281 176.477 176.300 -0.174 0.000 0.970 246 D CA 0.947 54.811 54.000 -0.227 0.000 0.889 246 D CB -0.236 40.560 40.800 -0.007 0.000 0.912 246 D HN 0.157 nan 8.370 nan 0.000 0.524 247 D N -0.138 120.197 120.400 -0.109 0.000 2.713 247 D HA -0.003 4.637 4.640 0.000 0.000 0.229 247 D C 0.780 177.125 176.300 0.076 0.000 1.136 247 D CA -0.274 53.797 54.000 0.118 0.000 1.010 247 D CB -0.414 40.422 40.800 0.060 0.000 1.084 247 D HN 0.064 nan 8.370 nan 0.000 0.495 248 Y N 0.177 120.432 120.300 -0.075 0.000 2.181 248 Y HA -0.183 4.367 4.550 0.000 0.000 0.288 248 Y C 2.116 177.938 175.900 -0.131 0.000 1.146 248 Y CA 1.036 58.987 58.100 -0.247 0.000 1.164 248 Y CB -0.335 37.729 38.460 -0.658 0.000 0.982 248 Y HN 0.463 nan 8.280 nan 0.000 0.515 249 W N -0.322 121.108 121.300 0.218 0.000 2.338 249 W HA -0.134 4.526 4.660 0.000 0.000 0.304 249 W C 2.484 179.052 176.519 0.081 0.000 1.212 249 W CA 1.169 58.588 57.345 0.125 0.000 1.264 249 W CB -1.335 28.175 29.460 0.083 0.000 1.142 249 W HN 0.191 nan 8.180 nan 0.000 0.512 250 G N -0.402 108.582 108.800 0.307 0.000 2.418 250 G HA2 -0.289 3.671 3.960 0.000 0.000 0.217 250 G HA3 -0.289 3.671 3.960 0.000 0.000 0.217 250 G C 1.281 176.195 174.900 0.023 0.000 1.158 250 G CA 0.803 45.963 45.100 0.099 0.000 0.771 250 G HN 0.220 nan 8.290 nan 0.000 0.545 251 Y N 1.197 121.533 120.300 0.059 0.000 2.165 251 Y HA -0.070 4.480 4.550 0.000 0.000 0.286 251 Y C 3.211 179.136 175.900 0.041 0.000 1.155 251 Y CA 1.049 59.166 58.100 0.028 0.000 1.164 251 Y CB -0.108 38.343 38.460 -0.016 0.000 0.978 251 Y HN 0.275 nan 8.280 nan 0.000 0.513 252 A N -0.049 122.897 122.820 0.211 0.000 1.902 252 A HA -0.281 4.039 4.320 0.000 0.000 0.217 252 A C 2.039 179.693 177.584 0.118 0.000 1.181 252 A CA 2.051 54.172 52.037 0.140 0.000 0.623 252 A CB -0.706 18.365 19.000 0.118 0.000 0.818 252 A HN 0.533 nan 8.150 nan 0.000 0.443 253 E N -0.571 119.700 120.200 0.119 0.000 2.072 253 E HA -0.142 4.208 4.350 0.000 0.000 0.190 253 E C 1.812 178.454 176.600 0.070 0.000 0.982 253 E CA 1.106 57.559 56.400 0.089 0.000 0.803 253 E CB -0.303 29.449 29.700 0.086 0.000 0.755 253 E HN 0.377 nan 8.360 nan 0.000 0.453 254 L N 1.294 122.556 121.223 0.064 0.000 2.042 254 L HA -0.146 4.194 4.340 0.000 0.000 0.210 254 L C 2.419 179.337 176.870 0.080 0.000 1.076 254 L CA 1.900 56.775 54.840 0.058 0.000 0.749 254 L CB -0.482 41.595 42.059 0.030 0.000 0.893 254 L HN 0.094 nan 8.230 nan 0.000 0.432 255 R N -0.793 119.768 120.500 0.101 0.000 2.096 255 R HA -0.137 4.203 4.340 0.000 0.000 0.235 255 R C 2.378 178.718 176.300 0.067 0.000 1.127 255 R CA 1.461 57.614 56.100 0.089 0.000 0.968 255 R CB -0.084 30.270 30.300 0.090 0.000 0.861 255 R HN 0.428 nan 8.270 nan 0.000 0.440 256 R N -0.470 120.068 120.500 0.064 0.000 2.090 256 R HA -0.038 4.302 4.340 0.000 0.000 0.228 256 R C 1.734 178.062 176.300 0.046 0.000 1.110 256 R CA 1.470 57.600 56.100 0.052 0.000 0.973 256 R CB -0.274 30.057 30.300 0.052 0.000 0.869 256 R HN 0.410 nan 8.270 nan 0.000 0.440 257 N N 0.414 119.142 118.700 0.047 0.000 2.457 257 N HA 0.030 4.770 4.740 0.000 0.000 0.180 257 N C 0.135 175.670 175.510 0.041 0.000 1.050 257 N CA -0.209 52.865 53.050 0.040 0.000 0.906 257 N CB 0.249 38.758 38.487 0.036 0.000 0.968 257 N HN 0.131 nan 8.380 nan 0.000 0.445 258 A N 2.111 124.962 122.820 0.051 0.000 2.445 258 A HA 0.262 4.582 4.320 0.000 0.000 0.242 258 A C -2.097 175.514 177.584 0.046 0.000 1.075 258 A CA -0.941 51.129 52.037 0.056 0.000 0.777 258 A CB -0.102 18.941 19.000 0.072 0.000 1.013 258 A HN 0.004 nan 8.150 nan 0.000 0.493 259 P HA 0.142 nan 4.420 nan 0.000 0.266 259 P C 0.165 177.486 177.300 0.034 0.000 1.195 259 P CA 0.226 63.347 63.100 0.035 0.000 0.768 259 P CB 0.391 32.112 31.700 0.035 0.000 0.838 260 T N 1.081 115.651 114.554 0.027 0.000 2.814 260 T HA 0.513 4.863 4.350 0.000 0.000 0.297 260 T C 0.451 175.165 174.700 0.023 0.000 0.956 260 T CA 0.605 62.720 62.100 0.025 0.000 1.123 260 T CB -0.677 68.204 68.868 0.021 0.000 0.902 260 T HN 0.827 nan 8.240 nan 0.000 0.528 265 T N 0.357 114.866 114.554 -0.076 0.000 2.893 265 T HA 0.928 5.278 4.350 0.000 0.000 0.291 265 T C -0.625 173.999 174.700 -0.126 0.000 1.028 265 T CA -0.374 61.588 62.100 -0.230 0.000 0.995 265 T CB 2.372 70.871 68.868 -0.616 0.000 1.051 265 T HN 1.048 nan 8.240 nan 0.000 0.470 266 T N -0.592 113.849 114.554 -0.187 0.000 2.749 266 T HA 0.663 5.013 4.350 0.000 0.000 0.310 266 T C 0.320 174.961 174.700 -0.098 0.000 1.496 266 T CA 0.437 62.418 62.100 -0.198 0.000 1.006 266 T CB 0.972 69.472 68.868 -0.613 0.000 1.457 266 T HN 1.928 nan 8.240 nan 0.000 0.497 267 G N 1.030 109.799 108.800 -0.051 0.000 2.559 267 G HA2 -0.080 3.880 3.960 0.000 0.000 0.202 267 G HA3 -0.080 3.880 3.960 0.000 0.000 0.202 267 G C 0.563 175.539 174.900 0.127 0.000 0.992 267 G CA 0.702 45.850 45.100 0.079 0.000 0.764 267 G HN 0.670 nan 8.290 nan 0.000 0.525 268 E N -0.284 119.927 120.200 0.019 0.000 2.118 268 E HA -0.115 4.235 4.350 0.000 0.000 0.195 268 E C 1.157 177.659 176.600 -0.164 0.000 0.992 268 E CA 1.294 57.629 56.400 -0.109 0.000 0.804 268 E CB -0.079 29.451 29.700 -0.283 0.000 0.741 268 E HN 0.771 nan 8.360 nan 0.000 0.458 269 H N -1.002 118.118 119.070 0.082 0.000 2.486 269 H HA 0.236 4.792 4.556 0.000 0.000 0.284 269 H C -0.605 174.693 175.328 -0.051 0.000 1.103 269 H CA -0.313 55.743 56.048 0.012 0.000 1.089 269 H CB 0.456 30.131 29.762 -0.145 0.000 1.603 269 H HN -0.097 nan 8.280 nan 0.000 0.557 270 E N 1.538 121.727 120.200 -0.017 0.000 2.204 270 E HA 0.681 5.031 4.350 0.000 0.000 0.276 270 E C -0.803 175.765 176.600 -0.054 0.000 0.974 270 E CA -0.845 55.414 56.400 -0.235 0.000 0.815 270 E CB 1.000 30.250 29.700 -0.750 0.000 1.119 270 E HN 0.356 nan 8.360 nan 0.000 0.393 271 A N 2.731 125.544 122.820 -0.013 0.000 2.469 271 A HA 0.857 5.177 4.320 0.000 0.000 0.299 271 A C -0.475 177.252 177.584 0.238 0.000 1.098 271 A CA -0.046 52.127 52.037 0.228 0.000 0.737 271 A CB 0.833 19.964 19.000 0.219 0.000 1.312 271 A HN 1.361 nan 8.150 nan 0.000 0.414 272 T N -1.535 113.199 114.554 0.301 0.000 0.541 272 T HA -0.224 4.126 4.350 0.000 0.000 0.774 272 T C 0.850 175.611 174.700 0.101 0.000 0.992 272 T CA 1.281 63.483 62.100 0.170 0.000 4.077 272 T CB -0.735 68.292 68.868 0.265 0.000 2.303 272 T HN 2.079 nan 8.240 nan 0.000 0.398 273 R N 0.652 120.961 120.500 -0.319 0.000 2.127 273 R HA -0.083 4.257 4.340 0.000 0.000 0.238 273 R C 2.027 178.125 176.300 -0.337 0.000 1.134 273 R CA 1.783 57.617 56.100 -0.442 0.000 0.975 273 R CB -0.494 29.318 30.300 -0.813 0.000 0.865 273 R HN 0.800 nan 8.270 nan 0.000 0.447 274 W N 1.057 122.376 121.300 0.031 0.000 2.453 274 W HA 0.184 4.844 4.660 0.000 0.000 0.289 274 W C 2.373 178.859 176.519 -0.055 0.000 1.215 274 W CA 0.625 57.965 57.345 -0.009 0.000 1.297 274 W CB -0.866 28.594 29.460 0.000 0.000 1.113 274 W HN 0.341 nan 8.180 nan 0.000 0.551 275 G N 0.941 109.839 108.800 0.164 0.000 2.459 275 G HA2 -0.290 3.670 3.960 0.000 0.000 0.217 275 G HA3 -0.290 3.670 3.960 0.000 0.000 0.217 275 G C 1.307 176.086 174.900 -0.201 0.000 1.183 275 G CA 0.955 46.026 45.100 -0.049 0.000 0.776 275 G HN 0.134 nan 8.290 nan 0.000 0.552 276 F N 0.953 120.887 119.950 -0.027 0.000 2.325 276 F HA 0.205 4.732 4.527 0.000 0.000 0.299 276 F C 1.889 177.605 175.800 -0.141 0.000 1.090 276 F CA 0.386 58.332 58.000 -0.090 0.000 1.392 276 F CB -0.192 38.736 39.000 -0.121 0.000 1.053 276 F HN -0.018 nan 8.300 nan 0.000 0.521 280 L N 1.254 122.362 121.223 -0.193 0.000 2.027 280 L HA 0.057 4.397 4.340 0.000 0.000 0.206 280 L C 1.447 178.146 176.870 -0.284 0.000 1.074 280 L CA 1.692 56.316 54.840 -0.359 0.000 0.745 280 L CB -0.620 40.970 42.059 -0.782 0.000 0.898 280 L HN 0.218 nan 8.230 nan 0.000 0.433 284 C N 0.435 119.741 119.300 0.009 0.000 2.464 284 C HA 0.350 4.810 4.460 0.000 0.000 0.278 284 C C 1.580 176.578 174.990 0.014 0.000 1.375 284 C CA 0.746 59.789 59.018 0.041 0.000 1.761 284 C CB -1.433 26.304 27.740 -0.005 0.000 1.944 284 C HN 0.855 nan 8.230 nan 0.000 0.509 285 C N -1.655 117.622 119.300 -0.038 0.000 3.291 285 C HA 0.594 5.054 4.460 0.000 0.000 0.316 285 C C -0.021 174.937 174.990 -0.054 0.000 1.391 285 C CA -0.694 58.289 59.018 -0.059 0.000 1.394 285 C CB 0.851 28.508 27.740 -0.138 0.000 1.744 285 C HN 0.334 nan 8.230 nan 0.000 0.461 286 D N 0.075 120.432 120.400 -0.071 0.000 2.324 286 D HA 0.333 4.973 4.640 0.000 0.000 0.212 286 D C 0.044 176.276 176.300 -0.113 0.000 0.984 286 D CA 0.747 54.706 54.000 -0.069 0.000 0.885 286 D CB 0.293 41.061 40.800 -0.053 0.000 0.996 286 D HN 0.572 nan 8.370 nan 0.000 0.505 287 I N 1.497 121.958 120.570 -0.181 0.000 2.582 287 I HA 0.342 4.512 4.170 0.000 0.000 0.292 287 I C -0.856 175.139 176.117 -0.204 0.000 1.066 287 I CA -1.174 59.988 61.300 -0.231 0.000 1.053 287 I CB 2.484 40.245 38.000 -0.399 0.000 1.241 287 I HN -0.132 nan 8.210 nan 0.000 0.421 288 I N 2.353 122.831 120.570 -0.152 0.000 2.460 288 I HA 0.521 4.691 4.170 0.000 0.000 0.298 288 I C -0.631 175.432 176.117 -0.089 0.000 0.989 288 I CA -0.401 60.850 61.300 -0.082 0.000 1.173 288 I CB 1.543 39.528 38.000 -0.025 0.000 1.338 288 I HN 0.594 nan 8.210 nan 0.000 0.456 289 Q N 4.859 124.659 119.800 0.000 0.000 2.928 289 Q HA 0.371 4.711 4.340 0.000 0.000 0.353 289 Q C -2.550 173.486 176.000 0.061 0.000 0.870 289 Q CA -1.754 54.060 55.803 0.019 0.000 0.963 289 Q CB 0.896 29.668 28.738 0.058 0.000 1.419 289 Q HN 0.522 nan 8.270 nan 0.000 0.396 290 P HA -0.048 nan 4.420 nan 0.000 0.272 290 P C -0.520 176.757 177.300 -0.038 0.000 1.223 290 P CA 0.018 63.131 63.100 0.022 0.000 0.784 290 P CB 1.036 32.574 31.700 -0.271 0.000 0.923 291 D N 1.106 121.482 120.400 -0.039 0.000 2.225 291 D HA 0.078 4.718 4.640 0.000 0.000 0.248 291 D C 1.261 177.451 176.300 -0.182 0.000 1.096 291 D CA -0.479 53.394 54.000 -0.212 0.000 0.863 291 D CB 1.609 41.996 40.800 -0.688 0.000 1.156 291 D HN -0.049 nan 8.370 nan 0.000 0.450 292 V N 3.725 123.509 119.914 -0.217 0.000 2.343 292 V HA -0.092 4.028 4.120 0.000 0.000 0.247 292 V C 2.293 178.303 176.094 -0.141 0.000 1.051 292 V CA 1.885 64.059 62.300 -0.211 0.000 1.036 292 V CB -0.607 31.081 31.823 -0.223 0.000 0.654 292 V HN 0.742 nan 8.190 nan 0.000 0.451 293 G N -1.791 106.895 108.800 -0.191 0.000 2.848 293 G HA2 -0.118 3.842 3.960 0.000 0.000 0.208 293 G HA3 -0.118 3.842 3.960 0.000 0.000 0.208 293 G C 0.990 176.010 174.900 0.201 0.000 1.152 293 G CA 0.162 45.212 45.100 -0.084 0.000 0.789 293 G HN 0.585 nan 8.290 nan 0.000 0.531 294 W N -0.900 120.435 121.300 0.059 0.000 2.873 294 W HA 0.216 4.876 4.660 0.000 0.000 0.282 294 W C 2.071 178.647 176.519 0.096 0.000 1.118 294 W CA -0.434 56.956 57.345 0.074 0.000 1.480 294 W CB -1.182 28.321 29.460 0.071 0.000 0.954 294 W HN 0.272 nan 8.180 nan 0.000 0.591 295 C N -0.649 118.812 119.300 0.269 0.000 2.673 295 C HA 0.682 5.142 4.460 0.000 0.000 0.264 295 C C 1.784 176.916 174.990 0.238 0.000 1.304 295 C CA 0.805 59.977 59.018 0.255 0.000 1.727 295 C CB -0.459 27.395 27.740 0.190 0.000 1.932 295 C HN 0.451 nan 8.230 nan 0.000 0.563 296 G N -0.763 108.184 108.800 0.244 0.000 2.370 296 G HA2 0.454 4.414 3.960 0.000 0.000 0.174 296 G HA3 0.454 4.414 3.960 0.000 0.000 0.174 296 G C 0.665 175.816 174.900 0.418 0.000 1.002 296 G CA 0.392 45.734 45.100 0.403 0.000 0.730 296 G HN 2.205 nan 8.290 nan 0.000 0.497 297 G N -1.611 107.296 108.800 0.178 0.000 2.610 297 G HA2 0.125 4.085 3.960 0.000 0.000 0.304 297 G HA3 0.125 4.085 3.960 0.000 0.000 0.304 297 G C 0.790 175.679 174.900 -0.018 0.000 1.309 297 G CA 0.057 45.233 45.100 0.127 0.000 0.906 297 G HN 1.128 nan 8.290 nan 0.000 0.521 298 V N 0.742 120.650 119.914 -0.011 0.000 2.358 298 V HA -0.147 3.973 4.120 0.000 0.000 0.246 298 V C 3.178 179.216 176.094 -0.094 0.000 1.047 298 V CA 3.283 65.475 62.300 -0.179 0.000 1.035 298 V CB -1.126 30.406 31.823 -0.486 0.000 0.658 298 V HN 0.997 nan 8.190 nan 0.000 0.452 299 T N -0.303 114.328 114.554 0.128 0.000 2.635 299 T HA -0.285 4.065 4.350 0.000 0.000 0.267 299 T C 1.906 176.402 174.700 -0.339 0.000 1.040 299 T CA 2.012 64.120 62.100 0.014 0.000 1.156 299 T CB -0.266 68.592 68.868 -0.016 0.000 0.863 299 T HN 0.447 nan 8.240 nan 0.000 0.430 300 E N 0.688 120.581 120.200 -0.512 0.000 2.106 300 E HA -0.039 4.312 4.350 0.000 0.000 0.192 300 E C 1.931 178.319 176.600 -0.353 0.000 0.984 300 E CA 0.451 56.516 56.400 -0.558 0.000 0.806 300 E CB -0.524 28.930 29.700 -0.410 0.000 0.750 300 E HN 0.278 nan 8.360 nan 0.000 0.458 301 L N 0.222 121.258 121.223 -0.312 0.000 2.141 301 L HA -0.050 4.290 4.340 0.000 0.000 0.209 301 L C 1.957 178.710 176.870 -0.194 0.000 1.094 301 L CA 1.352 55.946 54.840 -0.410 0.000 0.763 301 L CB -0.556 41.054 42.059 -0.748 0.000 0.908 301 L HN 0.252 nan 8.230 nan 0.000 0.437 302 L N -0.599 120.620 121.223 -0.006 0.000 1.997 302 L HA -0.323 4.017 4.340 0.000 0.000 0.216 302 L C 2.616 179.450 176.870 -0.060 0.000 1.074 302 L CA 1.910 56.802 54.840 0.086 0.000 0.763 302 L CB -0.587 41.482 42.059 0.016 0.000 0.890 302 L HN 0.293 nan 8.230 nan 0.000 0.434 303 K N -0.126 120.168 120.400 -0.176 0.000 2.057 303 K HA -0.123 4.197 4.320 0.000 0.000 0.206 303 K C 2.052 178.523 176.600 -0.215 0.000 1.050 303 K CA 1.253 57.409 56.287 -0.218 0.000 0.935 303 K CB -0.257 32.047 32.500 -0.327 0.000 0.715 303 K HN 0.242 nan 8.250 nan 0.000 0.439 304 I N 1.204 121.616 120.570 -0.262 0.000 2.163 304 I HA -0.325 3.845 4.170 0.000 0.000 0.243 304 I C 2.750 178.726 176.117 -0.235 0.000 1.085 304 I CA 1.257 62.375 61.300 -0.303 0.000 1.347 304 I CB -0.348 37.341 38.000 -0.518 0.000 1.044 304 I HN 0.171 nan 8.210 nan 0.000 0.408 305 S N 0.374 115.980 115.700 -0.157 0.000 2.382 305 S HA -0.159 4.311 4.470 0.000 0.000 0.228 305 S C 2.151 176.713 174.600 -0.063 0.000 1.027 305 S CA 1.349 59.511 58.200 -0.064 0.000 0.991 305 S CB -0.209 63.062 63.200 0.119 0.000 0.823 305 S HN 0.465 nan 8.310 nan 0.000 0.469 306 A N 1.072 123.851 122.820 -0.070 0.000 1.968 306 A HA 0.115 4.435 4.320 0.000 0.000 0.217 306 A C 2.088 179.645 177.584 -0.045 0.000 1.169 306 A CA 1.322 53.322 52.037 -0.063 0.000 0.638 306 A CB -0.744 18.213 19.000 -0.071 0.000 0.812 306 A HN 0.555 nan 8.150 nan 0.000 0.446 307 L N -0.058 121.134 121.223 -0.052 0.000 2.017 307 L HA -0.082 4.258 4.340 0.000 0.000 0.208 307 L C 2.637 179.558 176.870 0.085 0.000 1.073 307 L CA 2.255 57.102 54.840 0.012 0.000 0.745 307 L CB -0.780 41.259 42.059 -0.033 0.000 0.894 307 L HN 0.328 nan 8.230 nan 0.000 0.432 308 A N -1.113 121.705 122.820 -0.003 0.000 1.930 308 A HA -0.196 4.124 4.320 0.000 0.000 0.217 308 A C 2.001 179.597 177.584 0.019 0.000 1.175 308 A CA 1.611 53.651 52.037 0.005 0.000 0.627 308 A CB -0.781 18.175 19.000 -0.072 0.000 0.815 308 A HN 0.524 nan 8.150 nan 0.000 0.443 309 D N 0.328 120.720 120.400 -0.014 0.000 2.116 309 D HA -0.164 4.476 4.640 0.000 0.000 0.193 309 D C 2.218 178.506 176.300 -0.019 0.000 0.998 309 D CA 1.806 55.790 54.000 -0.026 0.000 0.836 309 D CB -0.413 40.361 40.800 -0.044 0.000 0.951 309 D HN 0.426 nan 8.370 nan 0.000 0.449 310 A N -0.040 122.771 122.820 -0.015 0.000 1.972 310 A HA -0.182 4.138 4.320 0.000 0.000 0.219 310 A C 1.684 179.196 177.584 -0.120 0.000 1.169 310 A CA 1.416 53.414 52.037 -0.065 0.000 0.635 310 A CB -0.744 18.209 19.000 -0.078 0.000 0.810 310 A HN 0.310 nan 8.150 nan 0.000 0.446 311 H N -0.230 118.815 119.070 -0.041 0.000 2.539 311 H HA 0.108 4.664 4.556 0.000 0.000 0.267 311 H C 0.158 175.466 175.328 -0.035 0.000 0.982 311 H CA 0.513 56.541 56.048 -0.034 0.000 1.146 311 H CB 0.082 29.824 29.762 -0.033 0.000 1.382 311 H HN 0.482 nan 8.280 nan 0.000 0.577 312 N N -0.318 118.406 118.700 0.040 0.000 2.735 312 N HA -0.180 4.561 4.740 0.000 0.000 0.248 312 N C -0.378 175.136 175.510 0.007 0.000 1.083 312 N CA 0.707 53.762 53.050 0.008 0.000 0.703 312 N CB -1.230 37.255 38.487 -0.004 0.000 1.005 312 N HN 0.408 nan 8.380 nan 0.000 0.550 313 A N 0.168 122.994 122.820 0.010 0.000 2.295 313 A HA 0.695 5.015 4.320 0.000 0.000 0.318 313 A C 0.666 178.211 177.584 -0.066 0.000 1.134 313 A CA -0.541 51.479 52.037 -0.028 0.000 0.827 313 A CB 0.855 19.836 19.000 -0.032 0.000 1.136 313 A HN 0.247 nan 8.150 nan 0.000 0.493 314 L N 1.387 122.550 121.223 -0.100 0.000 2.371 314 L HA 0.358 4.698 4.340 0.000 0.000 0.272 314 L C -0.678 176.095 176.870 -0.161 0.000 1.124 314 L CA -0.539 54.211 54.840 -0.149 0.000 0.816 314 L CB 1.239 43.177 42.059 -0.202 0.000 1.129 314 L HN 0.407 nan 8.230 nan 0.000 0.448 315 V N 4.132 123.952 119.914 -0.157 0.000 2.334 315 V HA 0.254 4.374 4.120 0.000 0.000 0.281 315 V C -0.005 176.008 176.094 -0.135 0.000 1.016 315 V CA -0.562 61.651 62.300 -0.144 0.000 0.832 315 V CB 1.612 33.368 31.823 -0.112 0.000 0.999 315 V HN 0.434 nan 8.190 nan 0.000 0.439 316 V N 7.549 127.391 119.914 -0.120 0.000 2.275 316 V HA 0.328 4.448 4.120 0.000 0.000 0.272 316 V C -2.268 173.853 176.094 0.046 0.000 1.028 316 V CA -1.878 60.411 62.300 -0.018 0.000 0.810 316 V CB 1.268 33.140 31.823 0.082 0.000 1.043 316 V HN 0.681 nan 8.190 nan 0.000 0.453 317 P HA 0.018 nan 4.420 nan 0.000 0.269 317 P C 0.155 177.505 177.300 0.083 0.000 1.217 317 P CA -0.028 63.076 63.100 0.007 0.000 0.783 317 P CB 0.320 31.986 31.700 -0.056 0.000 0.898 318 H N 1.331 120.378 119.070 -0.039 0.000 3.001 318 H HA 0.024 4.580 4.556 0.000 0.000 0.334 318 H C 0.708 175.984 175.328 -0.087 0.000 1.034 318 H CA 0.342 56.352 56.048 -0.062 0.000 1.420 318 H CB 0.354 30.010 29.762 -0.177 0.000 1.405 318 H HN 0.523 nan 8.280 nan 0.000 0.593 319 G N 3.148 111.614 108.800 -0.557 0.000 2.248 319 G HA2 0.056 4.016 3.960 0.000 0.000 0.260 319 G HA3 0.056 4.016 3.960 0.000 0.000 0.260 319 G C -0.007 174.741 174.900 -0.254 0.000 1.214 319 G CA -0.115 44.777 45.100 -0.347 0.000 0.979 319 G HN 0.581 nan 8.290 nan 0.000 0.454 320 S N 1.584 117.207 115.700 -0.129 0.000 2.941 320 S HA 0.400 4.870 4.470 0.000 0.000 0.251 320 S C 0.813 175.166 174.600 -0.412 0.000 1.029 320 S CA 0.331 58.526 58.200 -0.009 0.000 1.062 320 S CB 0.181 63.376 63.200 -0.008 0.000 0.977 320 S HN 1.215 nan 8.310 nan 0.000 0.552 321 S N 1.632 116.967 115.700 -0.609 0.000 3.949 321 S HA -0.279 4.191 4.470 0.000 0.000 0.626 321 S C 1.485 175.192 174.600 -1.488 0.000 2.168 321 S CA 1.885 59.480 58.200 -1.007 0.000 4.124 321 S CB -1.435 61.077 63.200 -1.147 0.000 0.220 321 S HN 1.172 nan 8.310 nan 0.000 0.750 322 V N 0.153 119.430 119.914 -1.062 0.000 2.759 322 V HA 0.044 4.164 4.120 0.000 0.000 0.256 322 V C 1.912 177.713 176.094 -0.489 0.000 1.080 322 V CA 2.363 64.313 62.300 -0.583 0.000 1.101 322 V CB -1.525 30.096 31.823 -0.337 0.000 0.698 322 V HN 0.729 nan 8.190 nan 0.000 0.477 323 Y N 1.059 121.012 120.300 -0.579 0.000 2.314 323 Y HA 0.007 4.557 4.550 0.000 0.000 0.293 323 Y C 3.085 178.863 175.900 -0.203 0.000 1.129 323 Y CA 1.287 59.036 58.100 -0.586 0.000 1.201 323 Y CB -0.954 37.093 38.460 -0.687 0.000 0.999 323 Y HN 0.315 nan 8.280 nan 0.000 0.541 324 S N -0.784 114.818 115.700 -0.163 0.000 2.357 324 S HA -0.150 4.321 4.470 0.000 0.000 0.221 324 S C 1.852 176.561 174.600 0.182 0.000 1.031 324 S CA 1.080 59.258 58.200 -0.036 0.000 0.982 324 S CB -0.454 62.681 63.200 -0.108 0.000 0.853 324 S HN 0.405 nan 8.310 nan 0.000 0.458 325 Y N 1.463 121.899 120.300 0.226 0.000 2.242 325 Y HA 0.024 4.574 4.550 0.000 0.000 0.291 325 Y C 2.607 178.614 175.900 0.178 0.000 1.137 325 Y CA 0.982 59.209 58.100 0.212 0.000 1.181 325 Y CB -1.331 37.257 38.460 0.215 0.000 0.989 325 Y HN 0.484 nan 8.280 nan 0.000 0.527 326 H N -2.036 117.233 119.070 0.331 0.000 2.423 326 H HA -0.143 4.413 4.556 0.000 0.000 0.297 326 H C 2.026 177.468 175.328 0.189 0.000 1.075 326 H CA 1.463 57.679 56.048 0.280 0.000 1.342 326 H CB -0.358 29.577 29.762 0.288 0.000 1.395 326 H HN 0.340 nan 8.280 nan 0.000 0.530 327 F N 1.530 121.591 119.950 0.184 0.000 2.060 327 F HA -0.194 4.333 4.527 0.000 0.000 0.295 327 F C 2.567 178.366 175.800 -0.001 0.000 1.120 327 F CA 1.458 59.479 58.000 0.035 0.000 1.205 327 F CB -0.336 38.658 39.000 -0.010 0.000 0.986 327 F HN -0.062 nan 8.300 nan 0.000 0.470 328 V N -1.013 119.030 119.914 0.214 0.000 2.970 328 V HA 0.024 4.144 4.120 0.000 0.000 0.260 328 V C 2.221 178.282 176.094 -0.056 0.000 1.100 328 V CA 1.208 63.561 62.300 0.089 0.000 1.122 328 V CB -1.668 30.236 31.823 0.135 0.000 0.721 328 V HN 0.352 nan 8.190 nan 0.000 0.483 329 A N 1.972 124.753 122.820 -0.065 0.000 1.978 329 A HA -0.186 4.134 4.320 0.000 0.000 0.220 329 A C 2.457 179.943 177.584 -0.163 0.000 1.170 329 A CA 2.665 54.618 52.037 -0.139 0.000 0.636 329 A CB -1.159 17.722 19.000 -0.199 0.000 0.810 329 A HN 0.844 nan 8.150 nan 0.000 0.448 330 T N -3.373 111.059 114.554 -0.203 0.000 3.081 330 T HA 0.156 4.506 4.350 0.000 0.000 0.255 330 T C 0.709 175.256 174.700 -0.255 0.000 1.113 330 T CA -0.219 61.742 62.100 -0.232 0.000 1.082 330 T CB -0.025 68.671 68.868 -0.286 0.000 0.939 330 T HN 0.187 nan 8.240 nan 0.000 0.506 331 R N 2.020 122.365 120.500 -0.259 0.000 2.255 331 R HA 0.382 4.722 4.340 0.000 0.000 0.326 331 R C 0.960 177.173 176.300 -0.145 0.000 0.986 331 R CA -0.544 55.422 56.100 -0.224 0.000 0.847 331 R CB 1.193 31.363 30.300 -0.217 0.000 1.111 331 R HN 0.269 nan 8.270 nan 0.000 0.452 332 Q N 1.561 121.287 119.800 -0.123 0.000 2.170 332 Q HA -0.147 4.193 4.340 0.000 0.000 0.203 332 Q C 0.932 176.879 176.000 -0.090 0.000 0.976 332 Q CA 1.549 57.296 55.803 -0.093 0.000 0.858 332 Q CB 0.081 28.772 28.738 -0.078 0.000 0.907 332 Q HN 0.563 nan 8.270 nan 0.000 0.433 333 N N -0.806 117.837 118.700 -0.096 0.000 2.449 333 N HA -0.033 4.707 4.740 0.000 0.000 0.191 333 N C -0.096 175.330 175.510 -0.141 0.000 1.161 333 N CA 0.144 53.132 53.050 -0.102 0.000 0.863 333 N CB 0.244 38.679 38.487 -0.086 0.000 0.980 333 N HN -0.200 nan 8.380 nan 0.000 0.458 334 S N 1.031 116.647 115.700 -0.140 0.000 2.078 334 S HA 0.357 4.827 4.470 0.000 0.000 0.168 334 S C -1.994 172.495 174.600 -0.185 0.000 1.542 334 S CA -1.227 56.872 58.200 -0.168 0.000 1.223 334 S CB 0.698 63.851 63.200 -0.078 0.000 1.152 334 S HN 0.118 nan 8.310 nan 0.000 0.452 335 P HA 0.152 nan 4.420 nan 0.000 0.231 335 P C -0.067 177.265 177.300 0.052 0.000 1.168 335 P CA 0.541 63.584 63.100 -0.094 0.000 0.779 335 P CB -0.026 31.669 31.700 -0.008 0.000 0.844 336 F N -2.326 117.694 119.950 0.117 0.000 2.715 336 F HA 0.857 5.384 4.527 0.000 0.000 0.318 336 F C -1.183 174.704 175.800 0.146 0.000 1.141 336 F CA -2.165 55.916 58.000 0.135 0.000 0.950 336 F CB 0.611 39.807 39.000 0.327 0.000 1.374 336 F HN -0.214 nan 8.300 nan 0.000 0.477 337 A N 0.144 123.183 122.820 0.366 0.000 2.515 337 A HA 0.625 4.945 4.320 0.000 0.000 0.296 337 A C -1.471 176.229 177.584 0.192 0.000 1.094 337 A CA -0.776 51.396 52.037 0.225 0.000 0.718 337 A CB 1.662 20.656 19.000 -0.011 0.000 1.307 337 A HN 0.911 nan 8.150 nan 0.000 0.408 338 E N 0.711 120.952 120.200 0.069 0.000 2.229 338 E HA 0.443 4.793 4.350 0.000 0.000 0.283 338 E C -1.695 174.996 176.600 0.150 0.000 1.030 338 E CA -0.208 55.992 56.400 -0.334 0.000 0.836 338 E CB 0.543 30.100 29.700 -0.238 0.000 1.068 338 E HN 0.433 nan 8.360 nan 0.000 0.401 339 F N 5.778 125.668 119.950 -0.101 0.000 2.444 339 F HA 0.328 4.855 4.527 0.000 0.000 0.342 339 F C -0.950 174.752 175.800 -0.164 0.000 1.121 339 F CA -0.917 57.016 58.000 -0.112 0.000 0.997 339 F CB 0.899 39.797 39.000 -0.170 0.000 1.130 339 F HN 0.452 nan 8.300 nan 0.000 0.454 344 P HA -0.150 nan 4.420 nan 0.000 0.217 344 P C 0.853 178.062 177.300 -0.151 0.000 1.151 344 P CA 1.625 64.318 63.100 -0.678 0.000 0.849 344 P CB 0.287 31.817 31.700 -0.283 0.000 0.787 345 K N -1.962 118.454 120.400 0.027 0.000 2.455 345 K HA 0.420 4.740 4.320 0.000 0.000 0.206 345 K C 0.166 176.806 176.600 0.068 0.000 1.027 345 K CA 0.083 56.428 56.287 0.097 0.000 1.113 345 K CB 0.235 32.761 32.500 0.044 0.000 0.850 345 K HN -0.084 nan 8.250 nan 0.000 0.503 346 A N 2.563 125.443 122.820 0.101 0.000 2.687 346 A HA -0.181 4.139 4.320 0.000 0.000 0.299 346 A C 0.305 177.875 177.584 -0.023 0.000 1.497 346 A CA 1.521 53.537 52.037 -0.035 0.000 0.751 346 A CB -1.740 17.007 19.000 -0.421 0.000 1.048 346 A HN 0.645 nan 8.150 nan 0.000 0.464 347 D N -1.687 118.732 120.400 0.031 0.000 2.525 347 D HA 0.193 4.833 4.640 0.000 0.000 0.231 347 D C 0.383 176.716 176.300 0.055 0.000 1.216 347 D CA 0.793 54.811 54.000 0.031 0.000 0.813 347 D CB -0.300 40.511 40.800 0.019 0.000 1.108 347 D HN 0.993 nan 8.370 nan 0.000 0.524 348 Q N -0.113 119.735 119.800 0.080 0.000 2.359 348 Q HA 0.525 4.865 4.340 0.000 0.000 0.274 348 Q C -1.207 174.887 176.000 0.158 0.000 1.074 348 Q CA -1.140 54.722 55.803 0.097 0.000 0.810 348 Q CB 2.339 31.116 28.738 0.065 0.000 1.342 348 Q HN -0.164 nan 8.270 nan 0.000 0.427 349 V N 2.680 122.704 119.914 0.183 0.000 2.390 349 V HA 0.099 4.219 4.120 0.000 0.000 0.260 349 V C 0.027 176.250 176.094 0.215 0.000 1.043 349 V CA -0.118 62.342 62.300 0.267 0.000 1.047 349 V CB 0.456 32.382 31.823 0.172 0.000 1.066 349 V HN 0.593 nan 8.190 nan 0.000 0.481 350 V N 7.987 128.067 119.914 0.277 0.000 2.713 350 V HA 0.510 4.630 4.120 0.000 0.000 0.307 350 V C -1.714 174.557 176.094 0.294 0.000 1.052 350 V CA -1.859 60.556 62.300 0.192 0.000 0.967 350 V CB 2.450 34.351 31.823 0.130 0.000 1.019 350 V HN 0.711 nan 8.190 nan 0.000 0.459 354 H N 3.938 123.149 119.070 0.236 0.000 2.764 354 H HA 0.394 4.950 4.556 0.000 0.000 0.341 354 H C -1.850 173.537 175.328 0.099 0.000 1.072 354 H CA -1.010 55.133 56.048 0.157 0.000 1.444 354 H CB 1.330 31.180 29.762 0.147 0.000 1.458 354 H HN -0.109 nan 8.280 nan 0.000 0.572 355 P HA 0.088 nan 4.420 nan 0.000 0.262 355 P C -0.169 177.048 177.300 -0.139 0.000 1.651 355 P CA 0.135 62.879 63.100 -0.595 0.000 1.119 355 P CB 0.384 31.689 31.700 -0.658 0.000 1.552 356 Q N -0.743 119.059 119.800 0.004 0.000 2.354 356 Q HA 0.118 4.458 4.340 0.000 0.000 0.203 356 Q C 0.005 176.089 176.000 0.140 0.000 0.933 356 Q CA 0.459 56.303 55.803 0.068 0.000 0.901 356 Q CB 0.245 29.048 28.738 0.109 0.000 1.007 356 Q HN 0.201 nan 8.270 nan 0.000 0.495 357 L N 1.322 122.666 121.223 0.203 0.000 2.316 357 L HA 0.346 4.686 4.340 0.000 0.000 0.280 357 L C -0.921 176.065 176.870 0.193 0.000 1.006 357 L CA -0.216 54.770 54.840 0.245 0.000 0.836 357 L CB 1.547 43.787 42.059 0.301 0.000 1.221 357 L HN 0.047 nan 8.230 nan 0.000 0.418 358 L N 3.951 125.266 121.223 0.153 0.000 2.305 358 L HA 0.542 4.882 4.340 0.000 0.000 0.281 358 L C 1.146 178.105 176.870 0.148 0.000 1.085 358 L CA 0.225 55.145 54.840 0.133 0.000 0.813 358 L CB 1.073 43.186 42.059 0.089 0.000 1.157 358 L HN 0.868 nan 8.230 nan 0.000 0.436 359 G N 1.865 110.744 108.800 0.133 0.000 2.184 359 G HA2 -0.216 3.744 3.960 0.000 0.000 0.206 359 G HA3 -0.216 3.744 3.960 0.000 0.000 0.206 359 G C 0.164 175.140 174.900 0.127 0.000 0.995 359 G CA -0.387 44.788 45.100 0.124 0.000 0.651 359 G HN 0.620 nan 8.290 nan 0.000 0.511 360 E N 2.251 122.534 120.200 0.139 0.000 2.351 360 E HA 0.352 4.702 4.350 0.000 0.000 0.266 360 E C -1.731 174.947 176.600 0.129 0.000 1.031 360 E CA -1.310 55.175 56.400 0.142 0.000 0.911 360 E CB 0.717 30.517 29.700 0.166 0.000 0.986 360 E HN 0.240 nan 8.360 nan 0.000 0.446 361 P HA 0.028 nan 4.420 nan 0.000 0.276 361 P C -0.483 176.830 177.300 0.022 0.000 1.243 361 P CA -0.296 62.841 63.100 0.061 0.000 0.768 361 P CB 0.887 32.617 31.700 0.051 0.000 0.856 362 V N 1.449 121.328 119.914 -0.058 0.000 2.716 362 V HA 0.550 4.670 4.120 0.000 0.000 0.304 362 V C -2.465 173.394 176.094 -0.392 0.000 1.053 362 V CA -2.760 59.417 62.300 -0.205 0.000 0.984 362 V CB 0.369 32.131 31.823 -0.101 0.000 1.021 362 V HN 0.324 nan 8.190 nan 0.000 0.467 363 P HA 0.216 nan 4.420 nan 0.000 0.268 363 P C -0.585 176.476 177.300 -0.398 0.000 1.205 363 P CA 0.089 62.830 63.100 -0.598 0.000 0.771 363 P CB 0.375 31.536 31.700 -0.899 0.000 0.858 364 E N 2.875 122.908 120.200 -0.279 0.000 2.113 364 E HA 0.105 4.455 4.350 0.000 0.000 0.273 364 E C -0.223 176.234 176.600 -0.239 0.000 0.924 364 E CA -0.490 55.778 56.400 -0.220 0.000 0.764 364 E CB 0.106 29.718 29.700 -0.147 0.000 1.104 364 E HN 0.360 nan 8.360 nan 0.000 0.406 365 N N 3.240 121.781 118.700 -0.267 0.000 2.714 365 N HA -0.249 4.491 4.740 0.000 0.000 0.252 365 N C 0.482 175.756 175.510 -0.394 0.000 1.014 365 N CA 1.478 54.358 53.050 -0.282 0.000 0.735 365 N CB -1.148 37.232 38.487 -0.177 0.000 0.924 365 N HN 0.907 nan 8.380 nan 0.000 0.540 366 G N -1.402 106.978 108.800 -0.700 0.000 2.155 366 G HA2 -0.363 3.597 3.960 0.000 0.000 0.257 366 G HA3 -0.363 3.597 3.960 0.000 0.000 0.257 366 G C 0.381 175.151 174.900 -0.217 0.000 0.983 366 G CA 1.009 45.598 45.100 -0.851 0.000 0.676 366 G HN 0.743 nan 8.290 nan 0.000 0.528 370 L N 1.359 122.491 121.223 -0.152 0.000 2.492 370 L HA -0.035 4.305 4.340 0.000 0.000 0.223 370 L C 2.137 178.926 176.870 -0.135 0.000 1.132 370 L CA 1.325 56.037 54.840 -0.213 0.000 0.850 370 L CB -0.017 41.831 42.059 -0.352 0.000 0.966 370 L HN 0.815 nan 8.230 nan 0.000 0.454 371 S N -0.168 115.484 115.700 -0.080 0.000 2.402 371 S HA -0.243 4.227 4.470 0.000 0.000 0.233 371 S C 2.024 176.619 174.600 -0.009 0.000 1.030 371 S CA 0.918 59.100 58.200 -0.031 0.000 1.003 371 S CB -0.441 62.741 63.200 -0.030 0.000 0.813 371 S HN 0.455 nan 8.310 nan 0.000 0.477 372 R N 0.867 121.352 120.500 -0.026 0.000 2.235 372 R HA 0.169 4.509 4.340 0.000 0.000 0.213 372 R C 0.340 176.661 176.300 0.035 0.000 1.059 372 R CA 0.596 56.694 56.100 -0.003 0.000 0.997 372 R CB -0.549 29.735 30.300 -0.025 0.000 0.884 372 R HN 0.472 nan 8.270 nan 0.000 0.462 373 L N 2.848 124.090 121.223 0.032 0.000 2.556 373 L HA 0.143 4.483 4.340 0.000 0.000 0.245 373 L C 0.058 177.049 176.870 0.201 0.000 1.174 373 L CA -0.442 54.464 54.840 0.109 0.000 1.117 373 L CB 0.470 42.501 42.059 -0.047 0.000 1.409 373 L HN 0.041 nan 8.230 nan 0.000 0.411 374 D N -1.697 118.788 120.400 0.141 0.000 2.433 374 D HA 0.013 4.653 4.640 0.000 0.000 0.211 374 D C 0.426 176.778 176.300 0.086 0.000 1.114 374 D CA -0.124 53.941 54.000 0.109 0.000 0.837 374 D CB 0.407 41.249 40.800 0.071 0.000 0.984 374 D HN 0.186 nan 8.370 nan 0.000 0.505 375 Q N 1.235 121.100 119.800 0.109 0.000 2.230 375 Q HA 0.403 4.743 4.340 0.000 0.000 0.248 375 Q C -2.457 173.584 176.000 0.067 0.000 0.915 375 Q CA -2.225 53.630 55.803 0.087 0.000 0.900 375 Q CB 0.879 29.679 28.738 0.103 0.000 1.229 375 Q HN 0.032 nan 8.270 nan 0.000 0.439 376 P HA 0.014 nan 4.420 nan 0.000 0.264 376 P C 0.584 177.880 177.300 -0.008 0.000 1.183 376 P CA 1.224 64.331 63.100 0.011 0.000 0.763 376 P CB 0.339 32.054 31.700 0.026 0.000 0.807 377 G N 2.404 111.154 108.800 -0.083 0.000 2.527 377 G HA2 -0.331 3.629 3.960 0.000 0.000 0.268 377 G HA3 -0.331 3.629 3.960 0.000 0.000 0.268 377 G C 0.401 175.061 174.900 -0.400 0.000 1.175 377 G CA -0.039 44.945 45.100 -0.194 0.000 0.962 377 G HN 0.378 nan 8.290 nan 0.000 0.560 378 F N 2.800 122.609 119.950 -0.235 0.000 2.811 378 F HA 0.385 4.912 4.527 0.000 0.000 0.301 378 F C 2.293 177.945 175.800 -0.246 0.000 1.151 378 F CA 1.599 59.307 58.000 -0.487 0.000 1.412 378 F CB 0.220 38.938 39.000 -0.471 0.000 1.113 378 F HN 1.732 nan 8.300 nan 0.000 0.579 379 G N 0.806 109.646 108.800 0.067 0.000 2.137 379 G HA2 -0.152 3.808 3.960 0.000 0.000 0.237 379 G HA3 -0.152 3.808 3.960 0.000 0.000 0.237 379 G C -0.114 174.878 174.900 0.153 0.000 1.002 379 G CA 0.149 45.333 45.100 0.140 0.000 0.702 379 G HN 0.560 nan 8.290 nan 0.000 0.515 380 V N -2.826 117.193 119.914 0.175 0.000 3.040 380 V HA 1.003 5.124 4.120 0.000 0.000 0.312 380 V C 0.056 176.399 176.094 0.415 0.000 1.115 380 V CA -0.035 62.409 62.300 0.240 0.000 0.998 380 V CB 1.920 33.862 31.823 0.198 0.000 1.042 380 V HN 1.202 nan 8.190 nan 0.000 0.433 381 T N 0.437 115.194 114.554 0.339 0.000 2.924 381 T HA 0.729 5.079 4.350 0.000 0.000 0.291 381 T C -0.716 174.002 174.700 0.030 0.000 1.045 381 T CA -0.678 61.554 62.100 0.220 0.000 1.015 381 T CB 1.725 70.652 68.868 0.098 0.000 1.103 381 T HN 0.837 nan 8.240 nan 0.000 0.496 382 L N 2.808 123.779 121.223 -0.420 0.000 2.360 382 L HA 0.369 4.709 4.340 0.000 0.000 0.276 382 L C 0.355 177.120 176.870 -0.174 0.000 1.121 382 L CA -0.163 54.417 54.840 -0.433 0.000 0.845 382 L CB 0.124 41.756 42.059 -0.712 0.000 1.143 382 L HN 0.798 nan 8.230 nan 0.000 0.452 383 N N 6.323 124.974 118.700 -0.081 0.000 2.431 383 N HA 0.150 4.890 4.740 0.000 0.000 0.265 383 N C -1.913 173.552 175.510 -0.075 0.000 1.184 383 N CA -1.413 51.609 53.050 -0.046 0.000 0.943 383 N CB 0.994 39.474 38.487 -0.012 0.000 1.080 383 N HN 0.359 nan 8.380 nan 0.000 0.477 384 P HA -0.003 nan 4.420 nan 0.000 0.234 384 P C 0.254 177.520 177.300 -0.057 0.000 1.167 384 P CA 0.782 63.838 63.100 -0.073 0.000 0.763 384 P CB 0.338 32.004 31.700 -0.056 0.000 0.835 385 E N -1.546 118.628 120.200 -0.042 0.000 2.502 385 E HA -0.002 4.348 4.350 0.000 0.000 0.194 385 E C -0.063 176.510 176.600 -0.046 0.000 1.062 385 E CA -0.071 56.308 56.400 -0.035 0.000 0.867 385 E CB -0.098 29.590 29.700 -0.019 0.000 0.888 385 E HN 0.195 nan 8.360 nan 0.000 0.510 386 C N 0.821 120.086 119.300 -0.059 0.000 2.405 386 C HA 0.284 4.744 4.460 0.000 0.000 0.365 386 C C 0.246 175.194 174.990 -0.069 0.000 1.233 386 C CA -0.612 58.369 59.018 -0.061 0.000 2.230 386 C CB 0.726 28.429 27.740 -0.061 0.000 2.443 386 C HN 0.316 nan 8.230 nan 0.000 0.556 387 Q N 1.463 121.231 119.800 -0.053 0.000 2.314 387 Q HA 0.521 4.861 4.340 0.000 0.000 0.259 387 Q C -1.298 174.680 176.000 -0.037 0.000 0.951 387 Q CA -0.467 55.306 55.803 -0.050 0.000 0.909 387 Q CB 0.911 29.628 28.738 -0.036 0.000 1.236 387 Q HN 0.508 nan 8.270 nan 0.000 0.444 388 L N 3.798 124.975 121.223 -0.076 0.000 2.265 388 L HA 0.289 4.629 4.340 0.000 0.000 0.289 388 L C -0.666 176.260 176.870 0.094 0.000 1.033 388 L CA -0.035 54.746 54.840 -0.098 0.000 0.814 388 L CB 1.088 42.864 42.059 -0.471 0.000 1.203 388 L HN 0.600 nan 8.230 nan 0.000 0.423 389 H N 4.409 123.545 119.070 0.111 0.000 2.476 389 H HA 0.410 4.966 4.556 0.000 0.000 0.328 389 H C -0.561 174.937 175.328 0.283 0.000 1.073 389 H CA -0.915 55.223 56.048 0.150 0.000 1.229 389 H CB 1.115 30.921 29.762 0.073 0.000 1.432 389 H HN 0.549 nan 8.280 nan 0.000 0.477 390 R N 6.830 127.355 120.500 0.041 0.000 2.332 390 R HA 0.208 4.548 4.340 0.000 0.000 0.306 390 R C -1.922 174.140 176.300 -0.398 0.000 1.117 390 R CA -1.630 54.411 56.100 -0.098 0.000 1.108 390 R CB 0.662 30.995 30.300 0.055 0.000 1.126 390 R HN 0.545 nan 8.270 nan 0.000 0.548 391 P HA -0.038 nan 4.420 nan 0.000 0.227 391 P C -0.835 176.013 177.300 -0.754 0.000 1.161 391 P CA 0.854 63.528 63.100 -0.710 0.000 0.788 391 P CB 0.311 31.585 31.700 -0.709 0.000 0.822 392 Y N -0.549 119.682 120.300 -0.114 0.000 2.512 392 Y HA 0.479 5.029 4.550 0.000 0.000 0.348 392 Y C 0.956 176.804 175.900 -0.086 0.000 0.990 392 Y CA -0.685 57.365 58.100 -0.083 0.000 1.033 392 Y CB 1.699 40.102 38.460 -0.095 0.000 1.259 392 Y HN -0.240 nan 8.280 nan 0.000 0.461 393 T N -1.692 112.915 114.554 0.089 0.000 2.910 393 T HA 0.712 5.062 4.350 0.000 0.000 0.287 393 T C -0.916 173.823 174.700 0.064 0.000 1.050 393 T CA -0.706 61.403 62.100 0.014 0.000 1.011 393 T CB 2.153 70.983 68.868 -0.064 0.000 1.195 393 T HN 0.843 nan 8.240 nan 0.000 0.540 394 H N 0.000 119.036 119.070 -0.057 0.000 2.539 394 H HA 0.000 4.556 4.556 0.000 0.000 0.296 394 H CA 0.000 56.006 56.048 -0.070 0.000 1.023 394 H CB 0.000 29.703 29.762 -0.098 0.000 1.292 394 H HN 0.000 nan 8.280 nan 0.000 0.496