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 2ghb_1_C DATA FIRST_RESID 5 DATA SEQUENCE PKLTIWCSEK QVDILQKLGE EFKAKYGVEV EVQYVNFQDI KSKFLTAAPE DATA SEQUENCE GQGADIIVGA HDWVGELAVN GLIEPIPNFS DLKNFYETAL NAFSYGGKLY DATA SEQUENCE GIPYAMEAIA LIYNKDYVPE PPKTMDELIE IAKQIDEEFG GEVRGFITSA DATA SEQUENCE AEFYYIAPFI FGYGGYVFKQ TEKGLDVNDI GLANEGAIKG VKLLKRLVDE DATA SEQUENCE GILDPSDNYQ IMDSMFREGQ AAMIINGPWA IKAYKDAGID YGVAPIPDLE DATA SEQUENCE PGVPARPFVG VQGFMVNAKS PNKLLAIEFL TSFIAKKETM YRIYLGDPRL DATA SEQUENCE PSRKDVLELV KDNPDVVGFT LSAANGIPMP NVPQMAAVWA AMNDALNLVV DATA SEQUENCE NGKATVEEAL KNAVERIKAQ IQ 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.299 177.300 -0.002 0.000 1.155 5 P CA 0.000 63.101 63.100 0.002 0.000 0.800 5 P CB 0.000 31.709 31.700 0.015 0.000 0.726 6 K N 1.721 122.112 120.400 -0.014 0.000 2.378 6 K HA 0.685 5.212 4.320 0.345 0.000 0.252 6 K C -1.185 175.383 176.600 -0.054 0.000 0.931 6 K CA -0.733 55.536 56.287 -0.028 0.000 0.794 6 K CB 1.436 33.922 32.500 -0.024 0.000 1.181 6 K HN 0.430 nan 8.250 nan 0.000 0.425 7 L N 2.621 123.786 121.223 -0.096 0.000 2.317 7 L HA 0.413 4.960 4.340 0.345 0.000 0.281 7 L C -0.304 176.487 176.870 -0.133 0.000 1.024 7 L CA -0.661 54.088 54.840 -0.152 0.000 0.810 7 L CB 2.079 43.955 42.059 -0.304 0.000 1.240 7 L HN 0.666 nan 8.230 nan 0.000 0.427 8 T N 4.273 118.762 114.554 -0.108 0.000 2.797 8 T HA 0.639 5.196 4.350 0.345 0.000 0.279 8 T C -0.278 174.379 174.700 -0.073 0.000 0.991 8 T CA -0.279 61.779 62.100 -0.070 0.000 0.979 8 T CB 1.255 70.077 68.868 -0.077 0.000 0.943 8 T HN 0.271 nan 8.240 nan 0.000 0.444 9 I N 2.428 123.023 120.570 0.042 0.000 2.466 9 I HA 0.407 4.784 4.170 0.345 0.000 0.289 9 I C -1.114 175.231 176.117 0.380 0.000 1.026 9 I CA -0.901 60.481 61.300 0.137 0.000 1.078 9 I CB 1.825 39.917 38.000 0.155 0.000 1.249 9 I HN 0.455 nan 8.210 nan 0.000 0.429 10 W N 6.566 127.941 121.300 0.125 0.000 2.329 10 W HA 0.549 5.421 4.660 0.353 0.000 0.312 10 W C 0.116 176.729 176.519 0.157 0.000 1.054 10 W CA -1.312 56.109 57.345 0.127 0.000 1.245 10 W CB 1.425 30.950 29.460 0.109 0.000 1.255 10 W HN 0.600 nan 8.180 nan 0.000 0.436 11 C N 1.068 120.596 119.300 0.380 0.000 3.235 11 C HA 0.869 5.536 4.460 0.345 0.000 0.351 11 C C 0.764 175.949 174.990 0.325 0.000 1.520 11 C CA -0.876 58.326 59.018 0.306 0.000 1.474 11 C CB 1.133 29.044 27.740 0.284 0.000 2.019 11 C HN 0.642 nan 8.230 nan 0.000 0.446 12 S N -0.494 115.346 115.700 0.234 0.000 2.617 12 S HA 0.256 4.933 4.470 0.345 0.000 0.269 12 S C 0.713 175.324 174.600 0.018 0.000 1.292 12 S CA 0.491 58.815 58.200 0.206 0.000 1.010 12 S CB 0.809 64.065 63.200 0.094 0.000 0.944 12 S HN 0.988 nan 8.310 nan 0.000 0.536 13 E N 1.375 121.361 120.200 -0.356 0.000 2.118 13 E HA -0.184 4.373 4.350 0.345 0.000 0.195 13 E C 1.312 177.770 176.600 -0.237 0.000 0.992 13 E CA 1.271 57.321 56.400 -0.583 0.000 0.804 13 E CB -0.121 28.964 29.700 -1.025 0.000 0.741 13 E HN 0.729 nan 8.360 nan 0.000 0.458 14 K N -0.302 119.992 120.400 -0.178 0.000 2.505 14 K HA -0.004 4.523 4.320 0.345 0.000 0.192 14 K C 1.405 177.967 176.600 -0.063 0.000 1.025 14 K CA 0.290 56.510 56.287 -0.112 0.000 1.086 14 K CB 0.283 32.715 32.500 -0.112 0.000 0.840 14 K HN 0.201 nan 8.250 nan 0.000 0.514 15 Q N -0.575 119.204 119.800 -0.035 0.000 2.317 15 Q HA 0.053 4.600 4.340 0.345 0.000 0.220 15 Q C 1.648 177.679 176.000 0.052 0.000 0.873 15 Q CA -0.059 55.750 55.803 0.010 0.000 0.936 15 Q CB 0.690 29.440 28.738 0.021 0.000 1.105 15 Q HN 0.022 nan 8.270 nan 0.000 0.520 16 V N 1.693 121.636 119.914 0.048 0.000 2.233 16 V HA -0.301 4.026 4.120 0.345 0.000 0.247 16 V C 1.471 177.605 176.094 0.067 0.000 1.050 16 V CA 2.277 64.623 62.300 0.077 0.000 1.010 16 V CB -0.369 31.497 31.823 0.071 0.000 0.637 16 V HN 0.345 nan 8.190 nan 0.000 0.444 17 D N -0.202 120.225 120.400 0.044 0.000 2.117 17 D HA -0.105 4.742 4.640 0.345 0.000 0.197 17 D C 2.061 178.396 176.300 0.058 0.000 0.987 17 D CA 1.239 55.266 54.000 0.046 0.000 0.829 17 D CB -0.277 40.541 40.800 0.029 0.000 0.961 17 D HN 0.413 nan 8.370 nan 0.000 0.460 18 I N 0.523 121.126 120.570 0.055 0.000 2.127 18 I HA -0.260 4.117 4.170 0.345 0.000 0.241 18 I C 2.325 178.498 176.117 0.093 0.000 1.075 18 I CA 0.950 62.291 61.300 0.067 0.000 1.334 18 I CB -0.175 37.858 38.000 0.055 0.000 1.040 18 I HN -0.032 nan 8.210 nan 0.000 0.405 19 L N -0.146 121.138 121.223 0.103 0.000 2.217 19 L HA -0.187 4.360 4.340 0.345 0.000 0.211 19 L C 2.541 179.500 176.870 0.148 0.000 1.107 19 L CA 0.679 55.606 54.840 0.144 0.000 0.783 19 L CB -0.454 41.700 42.059 0.158 0.000 0.919 19 L HN 0.281 nan 8.230 nan 0.000 0.442 20 Q N 0.972 120.836 119.800 0.106 0.000 2.016 20 Q HA -0.194 4.353 4.340 0.345 0.000 0.200 20 Q C 2.101 178.154 176.000 0.089 0.000 0.978 20 Q CA 1.774 57.627 55.803 0.082 0.000 0.833 20 Q CB 0.009 28.787 28.738 0.067 0.000 0.895 20 Q HN 0.286 nan 8.270 nan 0.000 0.427 21 K N -0.323 120.135 120.400 0.097 0.000 2.057 21 K HA -0.146 4.381 4.320 0.345 0.000 0.207 21 K C 2.039 178.730 176.600 0.151 0.000 1.049 21 K CA 1.230 57.581 56.287 0.106 0.000 0.931 21 K CB -0.321 32.236 32.500 0.095 0.000 0.714 21 K HN 0.180 nan 8.250 nan 0.000 0.440 22 L N 0.952 122.289 121.223 0.190 0.000 2.046 22 L HA -0.079 4.468 4.340 0.345 0.000 0.208 22 L C 2.165 179.247 176.870 0.354 0.000 1.077 22 L CA 1.911 56.927 54.840 0.293 0.000 0.747 22 L CB -0.935 41.287 42.059 0.272 0.000 0.896 22 L HN 0.208 nan 8.230 nan 0.000 0.432 23 G N -1.368 107.567 108.800 0.225 0.000 2.422 23 G HA2 -0.266 3.901 3.960 0.345 0.000 0.218 23 G HA3 -0.266 3.901 3.960 0.345 0.000 0.218 23 G C 1.458 176.380 174.900 0.036 0.000 1.146 23 G CA 0.820 45.900 45.100 -0.033 0.000 0.769 23 G HN 0.506 nan 8.290 nan 0.000 0.547 24 E N 0.278 120.528 120.200 0.084 0.000 2.150 24 E HA -0.066 4.491 4.350 0.345 0.000 0.193 24 E C 2.424 179.095 176.600 0.118 0.000 0.985 24 E CA 0.929 57.377 56.400 0.080 0.000 0.814 24 E CB -0.023 29.721 29.700 0.073 0.000 0.752 24 E HN 0.589 nan 8.360 nan 0.000 0.466 25 E N 0.044 120.360 120.200 0.194 0.000 2.051 25 E HA -0.188 4.369 4.350 0.345 0.000 0.192 25 E C 1.802 178.568 176.600 0.276 0.000 0.991 25 E CA 0.806 57.371 56.400 0.274 0.000 0.799 25 E CB -0.173 29.782 29.700 0.425 0.000 0.748 25 E HN 0.205 nan 8.360 nan 0.000 0.449 26 F N 2.210 122.138 119.950 -0.036 0.000 2.134 26 F HA -0.196 4.543 4.527 0.354 0.000 0.299 26 F C 2.320 178.076 175.800 -0.074 0.000 1.097 26 F CA 1.666 59.494 58.000 -0.287 0.000 1.264 26 F CB 0.032 38.645 39.000 -0.645 0.000 1.001 26 F HN -0.204 nan 8.300 nan 0.000 0.479 27 K N 0.314 120.722 120.400 0.015 0.000 2.103 27 K HA -0.159 4.369 4.320 0.345 0.000 0.207 27 K C 2.139 178.710 176.600 -0.047 0.000 1.048 27 K CA 1.321 57.587 56.287 -0.035 0.000 0.930 27 K CB -0.401 32.100 32.500 0.002 0.000 0.716 27 K HN 0.280 nan 8.250 nan 0.000 0.444 28 A N 1.090 123.911 122.820 0.000 0.000 1.930 28 A HA -0.113 4.415 4.320 0.345 0.000 0.217 28 A C 1.809 179.370 177.584 -0.039 0.000 1.175 28 A CA 1.352 53.390 52.037 0.001 0.000 0.627 28 A CB -0.218 18.809 19.000 0.046 0.000 0.815 28 A HN 0.203 nan 8.150 nan 0.000 0.443 29 K N -1.965 118.407 120.400 -0.048 0.000 2.166 29 K HA 0.065 4.592 4.320 0.345 0.000 0.201 29 K C 1.078 177.448 176.600 -0.383 0.000 1.052 29 K CA 1.073 57.279 56.287 -0.135 0.000 0.969 29 K CB -0.155 32.380 32.500 0.058 0.000 0.761 29 K HN 0.646 nan 8.250 nan 0.000 0.459 30 Y N -0.229 119.818 120.300 -0.423 0.000 2.445 30 Y HA 0.176 4.938 4.550 0.353 0.000 0.247 30 Y C 1.200 176.924 175.900 -0.293 0.000 1.129 30 Y CA 0.340 58.168 58.100 -0.454 0.000 1.251 30 Y CB 1.024 38.942 38.460 -0.904 0.000 1.176 30 Y HN 0.278 nan 8.280 nan 0.000 0.522 31 G N 0.840 109.565 108.800 -0.125 0.000 2.153 31 G HA2 -0.259 3.908 3.960 0.345 0.000 0.252 31 G HA3 -0.259 3.908 3.960 0.345 0.000 0.252 31 G C -0.321 174.550 174.900 -0.048 0.000 0.994 31 G CA 0.376 45.434 45.100 -0.071 0.000 0.698 31 G HN 0.124 nan 8.290 nan 0.000 0.521 32 V N 0.153 120.029 119.914 -0.063 0.000 2.459 32 V HA 0.587 4.914 4.120 0.345 0.000 0.295 32 V C 0.427 176.533 176.094 0.019 0.000 1.029 32 V CA -0.898 61.402 62.300 0.000 0.000 0.874 32 V CB 1.847 33.712 31.823 0.069 0.000 0.985 32 V HN 0.390 nan 8.190 nan 0.000 0.438 33 E N 3.213 123.413 120.200 -0.001 0.000 2.354 33 E HA 0.415 4.972 4.350 0.345 0.000 0.269 33 E C -1.033 175.530 176.600 -0.061 0.000 1.036 33 E CA 0.006 56.394 56.400 -0.020 0.000 0.876 33 E CB 1.364 31.054 29.700 -0.016 0.000 1.009 33 E HN 0.420 nan 8.360 nan 0.000 0.416 34 V N 4.635 124.487 119.914 -0.102 0.000 2.407 34 V HA 0.271 4.598 4.120 0.345 0.000 0.291 34 V C -0.274 175.760 176.094 -0.100 0.000 1.018 34 V CA -0.767 61.414 62.300 -0.198 0.000 0.842 34 V CB 1.361 32.932 31.823 -0.419 0.000 0.996 34 V HN 0.715 nan 8.190 nan 0.000 0.426 35 E N 3.986 124.150 120.200 -0.060 0.000 2.175 35 E HA 0.647 5.204 4.350 0.345 0.000 0.278 35 E C -1.521 175.114 176.600 0.059 0.000 0.969 35 E CA -0.470 55.937 56.400 0.012 0.000 0.796 35 E CB 1.902 31.622 29.700 0.034 0.000 1.104 35 E HN 0.490 nan 8.360 nan 0.000 0.395 36 V N 4.746 124.716 119.914 0.094 0.000 2.487 36 V HA 0.330 4.657 4.120 0.345 0.000 0.298 36 V C -0.526 175.673 176.094 0.175 0.000 1.028 36 V CA -0.900 61.490 62.300 0.149 0.000 0.860 36 V CB 1.593 33.492 31.823 0.126 0.000 0.991 36 V HN 0.675 nan 8.190 nan 0.000 0.427 37 Q N 2.911 122.857 119.800 0.243 0.000 2.337 37 Q HA 0.356 4.903 4.340 0.345 0.000 0.270 37 Q C -1.113 174.973 176.000 0.144 0.000 1.043 37 Q CA -0.796 55.098 55.803 0.152 0.000 0.794 37 Q CB 2.903 31.688 28.738 0.078 0.000 1.281 37 Q HN 0.790 nan 8.270 nan 0.000 0.446 38 Y N 2.866 123.168 120.300 0.002 0.000 2.569 38 Y HA 0.294 5.050 4.550 0.343 0.000 0.332 38 Y C -1.081 174.750 175.900 -0.116 0.000 1.120 38 Y CA -0.136 57.956 58.100 -0.014 0.000 1.416 38 Y CB 0.376 38.834 38.460 -0.004 0.000 1.210 38 Y HN 0.277 nan 8.280 nan 0.000 0.528 39 V N 7.443 127.143 119.914 -0.356 0.000 2.638 39 V HA 0.253 4.580 4.120 0.345 0.000 0.306 39 V C -0.497 175.445 176.094 -0.253 0.000 1.052 39 V CA -1.278 60.665 62.300 -0.596 0.000 0.885 39 V CB 1.728 33.101 31.823 -0.750 0.000 0.999 39 V HN 0.918 nan 8.190 nan 0.000 0.424 40 N N 2.786 121.313 118.700 -0.289 0.000 2.354 40 N HA 0.202 5.149 4.740 0.345 0.000 0.246 40 N C 0.551 176.253 175.510 0.320 0.000 1.285 40 N CA -0.260 52.878 53.050 0.146 0.000 0.925 40 N CB 0.390 38.938 38.487 0.102 0.000 1.174 40 N HN 0.337 nan 8.380 nan 0.000 0.478 41 F N -0.368 119.682 119.950 0.167 0.000 2.095 41 F HA -0.113 4.636 4.527 0.370 0.000 0.298 41 F C 2.344 178.304 175.800 0.265 0.000 1.104 41 F CA 1.361 59.547 58.000 0.310 0.000 1.232 41 F CB -0.869 38.309 39.000 0.297 0.000 0.987 41 F HN 0.562 nan 8.300 nan 0.000 0.475 42 Q N -0.161 119.829 119.800 0.317 0.000 2.096 42 Q HA -0.203 4.344 4.340 0.345 0.000 0.204 42 Q C 1.865 177.888 176.000 0.038 0.000 0.982 42 Q CA 1.802 57.681 55.803 0.127 0.000 0.850 42 Q CB -0.259 28.524 28.738 0.075 0.000 0.901 42 Q HN 0.311 nan 8.270 nan 0.000 0.422 43 D N 0.199 120.619 120.400 0.034 0.000 2.144 43 D HA -0.095 4.752 4.640 0.345 0.000 0.200 43 D C 1.825 178.149 176.300 0.040 0.000 0.978 43 D CA 0.864 54.851 54.000 -0.022 0.000 0.833 43 D CB -0.060 40.668 40.800 -0.120 0.000 0.961 43 D HN 0.265 nan 8.370 nan 0.000 0.470 44 I N 0.825 121.459 120.570 0.106 0.000 2.179 44 I HA -0.250 4.127 4.170 0.345 0.000 0.242 44 I C 2.485 178.654 176.117 0.085 0.000 1.088 44 I CA 1.050 62.496 61.300 0.243 0.000 1.357 44 I CB -0.131 38.034 38.000 0.275 0.000 1.051 44 I HN -0.077 nan 8.210 nan 0.000 0.409 45 K N 0.830 121.086 120.400 -0.240 0.000 2.026 45 K HA -0.167 4.360 4.320 0.345 0.000 0.208 45 K C 2.310 178.769 176.600 -0.235 0.000 1.048 45 K CA 1.889 57.807 56.287 -0.615 0.000 0.929 45 K CB -0.000 31.865 32.500 -1.058 0.000 0.713 45 K HN 0.171 nan 8.250 nan 0.000 0.439 46 S N 1.142 116.767 115.700 -0.126 0.000 2.365 46 S HA -0.210 4.467 4.470 0.345 0.000 0.225 46 S C 1.809 176.414 174.600 0.008 0.000 1.039 46 S CA 1.820 59.985 58.200 -0.058 0.000 1.033 46 S CB -0.346 62.833 63.200 -0.036 0.000 0.887 46 S HN 0.263 nan 8.310 nan 0.000 0.447 47 K N 0.837 121.303 120.400 0.109 0.000 2.097 47 K HA 0.024 4.551 4.320 0.345 0.000 0.206 47 K C 1.385 178.019 176.600 0.057 0.000 1.049 47 K CA 1.359 57.738 56.287 0.153 0.000 0.933 47 K CB -0.457 32.283 32.500 0.400 0.000 0.717 47 K HN 0.341 nan 8.250 nan 0.000 0.442 48 F N 0.017 119.947 119.950 -0.033 0.000 2.698 48 F HA 0.225 4.963 4.527 0.352 0.000 0.295 48 F C 0.580 176.319 175.800 -0.101 0.000 1.124 48 F CA 0.240 58.202 58.000 -0.063 0.000 1.426 48 F CB 0.194 39.162 39.000 -0.054 0.000 1.120 48 F HN -0.150 nan 8.300 nan 0.000 0.583 49 L N 0.023 121.247 121.223 0.003 0.000 2.934 49 L HA 0.223 4.770 4.340 0.345 0.000 0.233 49 L C 0.442 177.273 176.870 -0.065 0.000 1.358 49 L CA 0.194 54.998 54.840 -0.060 0.000 1.233 49 L CB -0.802 41.190 42.059 -0.111 0.000 1.594 49 L HN 0.135 nan 8.230 nan 0.000 0.439 50 T N -1.486 113.021 114.554 -0.079 0.000 3.828 50 T HA 0.052 4.609 4.350 0.345 0.000 0.248 50 T C 1.138 175.770 174.700 -0.114 0.000 0.799 50 T CA 0.438 62.488 62.100 -0.083 0.000 1.125 50 T CB -0.117 68.712 68.868 -0.066 0.000 0.942 50 T HN 0.235 nan 8.240 nan 0.000 0.382 51 A N 0.668 123.386 122.820 -0.171 0.000 2.343 51 A HA 0.805 5.332 4.320 0.345 0.000 0.223 51 A C 2.103 179.513 177.584 -0.289 0.000 1.214 51 A CA 1.222 53.143 52.037 -0.194 0.000 0.900 51 A CB -0.402 18.499 19.000 -0.165 0.000 0.942 51 A HN 0.556 nan 8.150 nan 0.000 0.507 52 A N 1.568 124.140 122.820 -0.414 0.000 1.908 52 A HA -0.040 4.488 4.320 0.345 0.000 0.218 52 A C -0.197 177.264 177.584 -0.205 0.000 1.181 52 A CA 1.915 53.691 52.037 -0.435 0.000 0.627 52 A CB -1.511 17.229 19.000 -0.435 0.000 0.818 52 A HN 0.416 nan 8.150 nan 0.000 0.445 53 P HA -0.016 nan 4.420 nan 0.000 0.239 53 P C 0.605 177.858 177.300 -0.078 0.000 1.184 53 P CA 0.933 63.981 63.100 -0.086 0.000 0.760 53 P CB 0.124 31.783 31.700 -0.067 0.000 0.884 54 E N -0.602 119.539 120.200 -0.098 0.000 2.075 54 E HA 0.345 4.902 4.350 0.345 0.000 0.193 54 E C 0.688 177.239 176.600 -0.082 0.000 0.950 54 E CA 0.497 56.849 56.400 -0.080 0.000 0.859 54 E CB -0.137 29.516 29.700 -0.079 0.000 0.846 54 E HN 0.080 nan 8.360 nan 0.000 0.467 55 G N 0.805 109.538 108.800 -0.111 0.000 2.237 55 G HA2 -0.045 4.122 3.960 0.345 0.000 0.234 55 G HA3 -0.045 4.122 3.960 0.345 0.000 0.234 55 G C -0.184 174.649 174.900 -0.112 0.000 1.842 55 G CA -0.509 44.529 45.100 -0.104 0.000 1.208 55 G HN -0.029 nan 8.290 nan 0.000 0.644 56 Q N -0.647 119.056 119.800 -0.161 0.000 2.353 56 Q HA 0.193 4.740 4.340 0.345 0.000 0.226 56 Q C 1.465 177.349 176.000 -0.194 0.000 0.741 56 Q CA 0.686 56.404 55.803 -0.142 0.000 0.934 56 Q CB 0.427 29.098 28.738 -0.112 0.000 1.292 56 Q HN 0.969 nan 8.270 nan 0.000 0.481 57 G N 1.175 109.769 108.800 -0.343 0.000 2.634 57 G HA2 0.462 4.629 3.960 0.345 0.000 0.255 57 G HA3 0.462 4.629 3.960 0.345 0.000 0.255 57 G C 0.060 174.694 174.900 -0.443 0.000 1.205 57 G CA 0.260 45.068 45.100 -0.486 0.000 0.884 57 G HN 0.244 nan 8.290 nan 0.000 0.549 58 A N -0.403 121.922 122.820 -0.825 0.000 2.521 58 A HA 0.170 4.697 4.320 0.345 0.000 0.237 58 A C 1.243 178.684 177.584 -0.239 0.000 1.087 58 A CA 0.548 52.176 52.037 -0.683 0.000 0.777 58 A CB 0.162 18.415 19.000 -1.245 0.000 1.035 58 A HN 0.678 nan 8.150 nan 0.000 0.510 59 D N -0.368 119.930 120.400 -0.169 0.000 2.213 59 D HA 0.098 4.945 4.640 0.345 0.000 0.205 59 D C 0.184 176.468 176.300 -0.027 0.000 0.961 59 D CA 1.279 55.237 54.000 -0.071 0.000 0.853 59 D CB 0.137 40.889 40.800 -0.080 0.000 0.967 59 D HN 0.481 nan 8.370 nan 0.000 0.496 60 I N 1.437 121.987 120.570 -0.034 0.000 2.545 60 I HA 0.324 4.701 4.170 0.345 0.000 0.292 60 I C -0.358 175.793 176.117 0.057 0.000 1.040 60 I CA -0.892 60.429 61.300 0.036 0.000 1.068 60 I CB 2.530 40.576 38.000 0.077 0.000 1.251 60 I HN -0.164 nan 8.210 nan 0.000 0.424 61 I N 4.330 124.934 120.570 0.057 0.000 2.892 61 I HA 0.780 5.157 4.170 0.345 0.000 0.306 61 I C -0.510 175.665 176.117 0.097 0.000 1.078 61 I CA -0.992 60.347 61.300 0.065 0.000 1.032 61 I CB 2.090 39.975 38.000 -0.191 0.000 1.229 61 I HN 0.330 nan 8.210 nan 0.000 0.435 62 V N 1.123 121.070 119.914 0.056 0.000 2.973 62 V HA 1.085 5.412 4.120 0.345 0.000 0.314 62 V C 0.226 176.104 176.094 -0.360 0.000 1.066 62 V CA 0.276 62.498 62.300 -0.130 0.000 1.021 62 V CB 0.754 32.531 31.823 -0.077 0.000 1.076 62 V HN 1.316 nan 8.190 nan 0.000 0.462 63 G N 0.402 108.823 108.800 -0.632 0.000 2.349 63 G HA2 0.707 4.874 3.960 0.345 0.000 0.294 63 G HA3 0.707 4.874 3.960 0.345 0.000 0.294 63 G C -0.897 173.347 174.900 -1.093 0.000 1.380 63 G CA -0.446 43.784 45.100 -1.449 0.000 0.811 63 G HN 1.537 nan 8.290 nan 0.000 0.519 64 A N -0.143 121.624 122.820 -1.756 0.000 2.354 64 A HA 0.542 5.069 4.320 0.345 0.000 0.269 64 A C 1.350 178.398 177.584 -0.893 0.000 1.109 64 A CA 0.517 51.980 52.037 -0.956 0.000 0.800 64 A CB 0.091 18.554 19.000 -0.895 0.000 1.045 64 A HN 1.440 nan 8.150 nan 0.000 0.489 65 H N 1.178 119.843 119.070 -0.674 0.000 2.456 65 H HA -0.139 4.619 4.556 0.337 0.000 0.296 65 H C 0.499 175.525 175.328 -0.503 0.000 1.079 65 H CA 1.714 57.152 56.048 -1.016 0.000 1.322 65 H CB -0.213 29.036 29.762 -0.854 0.000 1.388 65 H HN 0.773 nan 8.280 nan 0.000 0.538 66 D N 0.723 120.448 120.400 -1.125 0.000 2.221 66 D HA -0.166 4.681 4.640 0.345 0.000 0.204 66 D C 1.345 177.583 176.300 -0.105 0.000 0.982 66 D CA 0.809 54.455 54.000 -0.590 0.000 0.857 66 D CB -0.316 40.294 40.800 -0.316 0.000 0.934 66 D HN 0.540 nan 8.370 nan 0.000 0.475 67 W N 1.164 122.296 121.300 -0.279 0.000 2.699 67 W HA 0.029 4.869 4.660 0.301 0.000 0.249 67 W C 2.135 178.529 176.519 -0.208 0.000 1.280 67 W CA -0.351 56.877 57.345 -0.196 0.000 1.345 67 W CB -1.222 28.140 29.460 -0.164 0.000 1.128 67 W HN -0.134 nan 8.180 nan 0.000 0.642 68 V N 0.783 120.668 119.914 -0.049 0.000 2.427 68 V HA -0.166 4.161 4.120 0.345 0.000 0.248 68 V C 2.540 178.477 176.094 -0.262 0.000 1.051 68 V CA 2.194 64.422 62.300 -0.120 0.000 1.048 68 V CB -1.315 30.431 31.823 -0.128 0.000 0.666 68 V HN 0.236 nan 8.190 nan 0.000 0.456 69 G N -0.737 107.934 108.800 -0.214 0.000 2.446 69 G HA2 -0.303 3.864 3.960 0.345 0.000 0.217 69 G HA3 -0.303 3.864 3.960 0.345 0.000 0.217 69 G C 1.546 176.098 174.900 -0.581 0.000 1.168 69 G CA 1.036 45.843 45.100 -0.488 0.000 0.771 69 G HN 0.554 nan 8.290 nan 0.000 0.551 70 E N -0.079 119.954 120.200 -0.279 0.000 2.047 70 E HA -0.027 4.530 4.350 0.345 0.000 0.191 70 E C 2.612 179.084 176.600 -0.214 0.000 0.987 70 E CA 0.446 56.722 56.400 -0.207 0.000 0.799 70 E CB -0.178 29.453 29.700 -0.114 0.000 0.752 70 E HN 0.438 nan 8.360 nan 0.000 0.449 71 L N 0.428 121.544 121.223 -0.178 0.000 2.046 71 L HA -0.176 4.371 4.340 0.345 0.000 0.208 71 L C 2.680 179.406 176.870 -0.239 0.000 1.077 71 L CA 1.126 55.888 54.840 -0.129 0.000 0.747 71 L CB -0.500 41.539 42.059 -0.034 0.000 0.896 71 L HN 0.216 nan 8.230 nan 0.000 0.432 72 A N 0.199 122.731 122.820 -0.481 0.000 1.873 72 A HA -0.150 4.377 4.320 0.345 0.000 0.215 72 A C 2.318 179.633 177.584 -0.449 0.000 1.186 72 A CA 1.849 53.460 52.037 -0.711 0.000 0.616 72 A CB -0.912 17.321 19.000 -1.277 0.000 0.823 72 A HN 0.301 nan 8.150 nan 0.000 0.442 73 V N -1.744 117.872 119.914 -0.498 0.000 2.515 73 V HA -0.156 4.171 4.120 0.345 0.000 0.250 73 V C 1.296 177.316 176.094 -0.124 0.000 1.058 73 V CA 2.096 64.247 62.300 -0.248 0.000 1.064 73 V CB -1.023 30.681 31.823 -0.198 0.000 0.675 73 V HN 0.486 nan 8.190 nan 0.000 0.461 74 N N 1.264 119.885 118.700 -0.133 0.000 2.370 74 N HA 0.162 5.109 4.740 0.345 0.000 0.198 74 N C 1.527 177.011 175.510 -0.044 0.000 1.156 74 N CA 0.956 53.962 53.050 -0.073 0.000 0.839 74 N CB 0.465 38.909 38.487 -0.071 0.000 0.989 74 N HN 0.825 nan 8.380 nan 0.000 0.468 75 G N 0.971 109.746 108.800 -0.042 0.000 2.225 75 G HA2 -0.268 3.899 3.960 0.345 0.000 0.267 75 G HA3 -0.268 3.899 3.960 0.345 0.000 0.267 75 G C 0.796 175.712 174.900 0.026 0.000 1.024 75 G CA 0.255 45.360 45.100 0.008 0.000 0.784 75 G HN 0.404 nan 8.290 nan 0.000 0.507 76 L N -0.646 120.588 121.223 0.017 0.000 2.446 76 L HA 0.370 4.917 4.340 0.345 0.000 0.219 76 L C 1.569 178.528 176.870 0.149 0.000 1.116 76 L CA 0.683 55.571 54.840 0.080 0.000 0.844 76 L CB -0.165 41.954 42.059 0.101 0.000 0.970 76 L HN 0.595 nan 8.230 nan 0.000 0.457 77 I N -3.607 117.034 120.570 0.118 0.000 2.730 77 I HA 0.565 4.942 4.170 0.345 0.000 0.298 77 I C -0.654 175.631 176.117 0.281 0.000 1.089 77 I CA -0.966 60.442 61.300 0.181 0.000 1.041 77 I CB 2.200 40.300 38.000 0.168 0.000 1.235 77 I HN -0.248 nan 8.210 nan 0.000 0.423 78 E N 5.388 125.750 120.200 0.270 0.000 2.249 78 E HA 0.514 5.071 4.350 0.345 0.000 0.280 78 E C -2.555 174.161 176.600 0.194 0.000 1.016 78 E CA -2.236 54.300 56.400 0.226 0.000 0.830 78 E CB 1.185 30.959 29.700 0.125 0.000 1.081 78 E HN 0.386 nan 8.360 nan 0.000 0.395 79 P HA -0.007 nan 4.420 nan 0.000 0.264 79 P C -0.677 176.551 177.300 -0.121 0.000 1.183 79 P CA 0.218 63.127 63.100 -0.318 0.000 0.763 79 P CB 0.294 31.827 31.700 -0.279 0.000 0.807 80 I N 5.087 125.584 120.570 -0.120 0.000 2.304 80 I HA 0.253 4.630 4.170 0.345 0.000 0.291 80 I C -1.920 174.203 176.117 0.010 0.000 1.018 80 I CA -2.820 58.475 61.300 -0.008 0.000 1.260 80 I CB 0.378 38.405 38.000 0.045 0.000 1.390 80 I HN 0.162 nan 8.210 nan 0.000 0.475 81 P HA 0.093 nan 4.420 nan 0.000 0.269 81 P C -0.162 177.230 177.300 0.154 0.000 1.215 81 P CA -0.321 62.819 63.100 0.067 0.000 0.780 81 P CB 0.528 32.268 31.700 0.066 0.000 0.898 82 N N 1.133 119.886 118.700 0.088 0.000 2.479 82 N HA 0.315 5.262 4.740 0.345 0.000 0.257 82 N C -1.045 174.586 175.510 0.203 0.000 1.232 82 N CA 0.083 53.163 53.050 0.051 0.000 0.920 82 N CB -0.143 38.338 38.487 -0.010 0.000 1.105 82 N HN 0.342 nan 8.380 nan 0.000 0.444 83 F N -0.638 119.298 119.950 -0.023 0.000 2.631 83 F HA 0.375 5.101 4.527 0.331 0.000 0.308 83 F C 1.197 176.999 175.800 0.005 0.000 1.097 83 F CA -0.951 57.046 58.000 -0.005 0.000 0.952 83 F CB 0.596 39.595 39.000 -0.001 0.000 1.307 83 F HN 0.378 nan 8.300 nan 0.000 0.450 84 S N -0.890 114.869 115.700 0.100 0.000 2.399 84 S HA -0.225 4.452 4.470 0.345 0.000 0.231 84 S C 1.305 175.897 174.600 -0.013 0.000 1.022 84 S CA 1.695 59.902 58.200 0.013 0.000 0.983 84 S CB -0.547 62.680 63.200 0.045 0.000 0.803 84 S HN 0.836 nan 8.310 nan 0.000 0.480 85 D N 1.620 122.075 120.400 0.091 0.000 2.265 85 D HA -0.031 4.817 4.640 0.345 0.000 0.208 85 D C 1.573 177.905 176.300 0.053 0.000 0.977 85 D CA 0.646 54.726 54.000 0.133 0.000 0.871 85 D CB -0.496 40.531 40.800 0.379 0.000 0.925 85 D HN 0.480 nan 8.370 nan 0.000 0.485 86 L N 0.283 121.322 121.223 -0.307 0.000 2.353 86 L HA -0.168 4.380 4.340 0.345 0.000 0.220 86 L C 2.339 179.213 176.870 0.006 0.000 1.133 86 L CA 1.074 55.752 54.840 -0.271 0.000 0.798 86 L CB -0.476 41.206 42.059 -0.630 0.000 0.922 86 L HN 0.191 nan 8.230 nan 0.000 0.445 87 K N -0.247 120.136 120.400 -0.028 0.000 2.281 87 K HA -0.185 4.343 4.320 0.345 0.000 0.203 87 K C 1.154 177.751 176.600 -0.005 0.000 1.046 87 K CA 1.918 58.196 56.287 -0.015 0.000 0.938 87 K CB -0.439 32.044 32.500 -0.029 0.000 0.737 87 K HN 0.383 nan 8.250 nan 0.000 0.458 88 N N -0.462 118.253 118.700 0.025 0.000 2.398 88 N HA 0.114 5.061 4.740 0.345 0.000 0.188 88 N C -0.704 174.667 175.510 -0.233 0.000 1.122 88 N CA -0.089 52.894 53.050 -0.112 0.000 0.866 88 N CB 0.125 38.515 38.487 -0.160 0.000 0.970 88 N HN 0.045 nan 8.380 nan 0.000 0.462 89 F N 0.081 119.933 119.950 -0.162 0.000 2.397 89 F HA 0.298 5.042 4.527 0.361 0.000 0.331 89 F C 0.181 175.889 175.800 -0.154 0.000 1.090 89 F CA -1.224 56.691 58.000 -0.141 0.000 1.065 89 F CB 0.546 39.517 39.000 -0.047 0.000 1.184 89 F HN -0.074 nan 8.300 nan 0.000 0.499 90 Y N 1.788 122.185 120.300 0.162 0.000 2.717 90 Y HA -0.092 4.663 4.550 0.342 0.000 0.330 90 Y C 1.713 177.675 175.900 0.104 0.000 1.217 90 Y CA 0.259 58.419 58.100 0.100 0.000 1.506 90 Y CB 0.101 38.605 38.460 0.075 0.000 1.268 90 Y HN 0.680 nan 8.280 nan 0.000 0.561 91 E N 1.182 121.510 120.200 0.214 0.000 2.097 91 E HA -0.279 4.278 4.350 0.345 0.000 0.196 91 E C 1.829 178.495 176.600 0.111 0.000 1.000 91 E CA 2.102 58.575 56.400 0.122 0.000 0.804 91 E CB 0.171 29.918 29.700 0.080 0.000 0.740 91 E HN 0.939 nan 8.360 nan 0.000 0.454 92 T N -1.485 113.141 114.554 0.120 0.000 2.821 92 T HA -0.007 4.550 4.350 0.345 0.000 0.267 92 T C 1.992 176.736 174.700 0.073 0.000 1.046 92 T CA 1.125 63.261 62.100 0.061 0.000 1.139 92 T CB -0.272 68.606 68.868 0.016 0.000 0.871 92 T HN 0.212 nan 8.240 nan 0.000 0.454 93 A N 1.813 124.723 122.820 0.149 0.000 1.902 93 A HA 0.165 4.692 4.320 0.345 0.000 0.217 93 A C 2.463 180.163 177.584 0.193 0.000 1.181 93 A CA 1.284 53.429 52.037 0.180 0.000 0.623 93 A CB -0.876 18.288 19.000 0.272 0.000 0.818 93 A HN 0.538 nan 8.150 nan 0.000 0.443 94 L N -0.361 120.952 121.223 0.149 0.000 2.056 94 L HA -0.186 4.361 4.340 0.345 0.000 0.207 94 L C 2.272 179.211 176.870 0.116 0.000 1.078 94 L CA 1.227 56.124 54.840 0.094 0.000 0.749 94 L CB -0.756 41.309 42.059 0.011 0.000 0.901 94 L HN 0.365 nan 8.230 nan 0.000 0.433 95 N N 0.553 119.302 118.700 0.082 0.000 2.166 95 N HA -0.154 4.794 4.740 0.345 0.000 0.186 95 N C 1.879 177.435 175.510 0.078 0.000 1.019 95 N CA 1.523 54.612 53.050 0.065 0.000 0.856 95 N CB -0.268 38.236 38.487 0.029 0.000 0.993 95 N HN 0.307 nan 8.380 nan 0.000 0.426 96 A N -0.057 122.790 122.820 0.045 0.000 1.972 96 A HA -0.063 4.464 4.320 0.345 0.000 0.219 96 A C 1.435 179.013 177.584 -0.010 0.000 1.169 96 A CA 0.938 52.945 52.037 -0.051 0.000 0.635 96 A CB -0.649 18.166 19.000 -0.307 0.000 0.810 96 A HN 0.232 nan 8.150 nan 0.000 0.446 97 F N 0.517 120.531 119.950 0.108 0.000 2.645 97 F HA 0.232 4.917 4.527 0.264 0.000 0.300 97 F C 0.552 176.478 175.800 0.210 0.000 1.115 97 F CA 0.073 58.164 58.000 0.151 0.000 1.355 97 F CB 0.275 39.335 39.000 0.100 0.000 1.026 97 F HN -0.051 nan 8.300 nan 0.000 0.536 98 S N -0.645 115.221 115.700 0.276 0.000 2.578 98 S HA 0.553 5.230 4.470 0.345 0.000 0.301 98 S C -1.607 173.203 174.600 0.351 0.000 1.091 98 S CA -0.518 57.865 58.200 0.305 0.000 1.032 98 S CB 2.055 65.355 63.200 0.166 0.000 1.064 98 S HN 0.183 nan 8.310 nan 0.000 0.508 99 Y N -0.209 120.274 120.300 0.305 0.000 2.441 99 Y HA 0.482 5.243 4.550 0.353 0.000 0.334 99 Y C 0.485 176.521 175.900 0.227 0.000 1.061 99 Y CA 0.138 58.359 58.100 0.202 0.000 1.032 99 Y CB 1.196 39.695 38.460 0.064 0.000 1.266 99 Y HN 0.899 nan 8.280 nan 0.000 0.441 100 G N 2.831 111.242 108.800 -0.648 0.000 2.233 100 G HA2 0.009 4.176 3.960 0.345 0.000 0.270 100 G HA3 0.009 4.176 3.960 0.345 0.000 0.270 100 G C 1.008 175.856 174.900 -0.087 0.000 1.011 100 G CA 1.135 45.990 45.100 -0.407 0.000 0.762 100 G HN 2.229 nan 8.290 nan 0.000 0.511 101 G N -2.033 106.743 108.800 -0.040 0.000 2.179 101 G HA2 -0.153 4.014 3.960 0.345 0.000 0.220 101 G HA3 -0.153 4.014 3.960 0.345 0.000 0.220 101 G C 0.086 174.993 174.900 0.012 0.000 0.990 101 G CA 0.872 45.965 45.100 -0.011 0.000 0.646 101 G HN 1.043 nan 8.290 nan 0.000 0.517 102 K N -0.567 119.868 120.400 0.057 0.000 2.426 102 K HA 0.672 5.199 4.320 0.345 0.000 0.251 102 K C -0.895 175.667 176.600 -0.063 0.000 0.941 102 K CA -1.086 55.168 56.287 -0.056 0.000 0.808 102 K CB 2.517 34.913 32.500 -0.174 0.000 1.265 102 K HN 0.111 nan 8.250 nan 0.000 0.432 103 L N 2.322 123.457 121.223 -0.146 0.000 2.331 103 L HA 0.220 4.767 4.340 0.345 0.000 0.278 103 L C -0.807 175.948 176.870 -0.190 0.000 1.106 103 L CA 0.547 55.352 54.840 -0.058 0.000 0.824 103 L CB 0.219 42.249 42.059 -0.049 0.000 1.142 103 L HN 0.652 nan 8.230 nan 0.000 0.443 104 Y N 3.909 124.316 120.300 0.179 0.000 2.682 104 Y HA 0.623 5.248 4.550 0.125 0.000 0.251 104 Y C 0.799 176.838 175.900 0.232 0.000 1.172 104 Y CA 0.038 58.253 58.100 0.192 0.000 1.186 104 Y CB 0.890 39.469 38.460 0.199 0.000 1.216 104 Y HN 0.696 nan 8.280 nan 0.000 0.540 105 G N -0.196 108.773 108.800 0.281 0.000 2.489 105 G HA2 0.437 4.604 3.960 0.345 0.000 0.291 105 G HA3 0.437 4.604 3.960 0.345 0.000 0.291 105 G C -2.027 172.789 174.900 -0.140 0.000 1.487 105 G CA -0.696 44.445 45.100 0.068 0.000 0.795 105 G HN -0.149 nan 8.290 nan 0.000 0.513 106 I N 2.447 122.898 120.570 -0.197 0.000 2.354 106 I HA 0.350 4.727 4.170 0.345 0.000 0.286 106 I C -2.168 173.852 176.117 -0.161 0.000 1.007 106 I CA -2.608 58.608 61.300 -0.141 0.000 1.167 106 I CB 1.402 39.434 38.000 0.054 0.000 1.320 106 I HN 0.192 nan 8.210 nan 0.000 0.458 107 P HA 0.181 nan 4.420 nan 0.000 0.278 107 P C -0.503 176.939 177.300 0.236 0.000 1.238 107 P CA 0.074 63.104 63.100 -0.116 0.000 0.794 107 P CB 0.760 32.492 31.700 0.052 0.000 0.955 108 Y N 0.528 120.902 120.300 0.123 0.000 2.432 108 Y HA 0.735 5.486 4.550 0.335 0.000 0.252 108 Y C -0.007 175.990 175.900 0.162 0.000 1.097 108 Y CA -0.653 57.560 58.100 0.188 0.000 1.250 108 Y CB 0.136 38.705 38.460 0.181 0.000 1.245 108 Y HN 0.451 nan 8.280 nan 0.000 0.522 109 A N 1.532 124.241 122.820 -0.185 0.000 2.547 109 A HA 0.751 5.278 4.320 0.345 0.000 0.297 109 A C -1.119 176.438 177.584 -0.045 0.000 1.056 109 A CA -0.814 51.185 52.037 -0.063 0.000 0.688 109 A CB 1.296 20.228 19.000 -0.113 0.000 1.282 109 A HN 0.228 nan 8.150 nan 0.000 0.400 110 M N 0.783 120.399 119.600 0.027 0.000 2.724 110 M HA 0.674 5.361 4.480 0.345 0.000 0.310 110 M C -0.452 175.858 176.300 0.017 0.000 1.217 110 M CA -0.450 54.861 55.300 0.019 0.000 0.894 110 M CB 2.356 34.965 32.600 0.014 0.000 1.719 110 M HN 0.805 nan 8.290 nan 0.000 0.479 111 E N 0.771 120.994 120.200 0.039 0.000 2.307 111 E HA 0.703 5.260 4.350 0.345 0.000 0.280 111 E C -2.210 174.471 176.600 0.134 0.000 0.900 111 E CA -0.425 56.016 56.400 0.069 0.000 0.790 111 E CB 2.101 31.873 29.700 0.121 0.000 1.261 111 E HN 0.819 nan 8.360 nan 0.000 0.405 112 A N 4.010 126.891 122.820 0.102 0.000 2.606 112 A HA 0.612 5.139 4.320 0.345 0.000 0.293 112 A C -0.605 177.051 177.584 0.120 0.000 1.082 112 A CA -0.889 51.233 52.037 0.142 0.000 0.685 112 A CB 0.763 19.812 19.000 0.082 0.000 1.284 112 A HN 0.652 nan 8.150 nan 0.000 0.408 113 I N -0.978 119.674 120.570 0.137 0.000 2.886 113 I HA 0.807 5.184 4.170 0.345 0.000 0.299 113 I C 0.138 176.349 176.117 0.155 0.000 1.044 113 I CA -0.197 61.190 61.300 0.144 0.000 1.310 113 I CB 1.478 39.578 38.000 0.166 0.000 1.441 113 I HN 1.090 nan 8.210 nan 0.000 0.578 114 A N 3.901 126.821 122.820 0.167 0.000 2.557 114 A HA 0.604 5.131 4.320 0.345 0.000 0.292 114 A C -1.364 176.233 177.584 0.022 0.000 1.139 114 A CA -0.762 51.298 52.037 0.039 0.000 0.665 114 A CB 0.973 19.917 19.000 -0.094 0.000 1.285 114 A HN 0.759 nan 8.150 nan 0.000 0.433 115 L N 1.302 122.529 121.223 0.007 0.000 2.369 115 L HA 0.479 5.026 4.340 0.345 0.000 0.279 115 L C -0.742 176.162 176.870 0.056 0.000 1.108 115 L CA 0.408 55.295 54.840 0.079 0.000 0.852 115 L CB -0.439 41.682 42.059 0.104 0.000 1.169 115 L HN 0.396 nan 8.230 nan 0.000 0.452 116 I N 6.760 127.326 120.570 -0.006 0.000 2.321 116 I HA 0.306 4.683 4.170 0.345 0.000 0.291 116 I C -0.805 175.302 176.117 -0.018 0.000 0.998 116 I CA -0.788 60.437 61.300 -0.125 0.000 1.227 116 I CB 0.686 38.464 38.000 -0.370 0.000 1.368 116 I HN 0.570 nan 8.210 nan 0.000 0.466 117 Y N 3.911 124.277 120.300 0.112 0.000 2.499 117 Y HA 0.526 5.283 4.550 0.345 0.000 0.347 117 Y C -0.580 175.578 175.900 0.429 0.000 0.987 117 Y CA -1.342 56.924 58.100 0.277 0.000 1.044 117 Y CB 0.963 39.520 38.460 0.160 0.000 1.245 117 Y HN 0.432 nan 8.280 nan 0.000 0.461 118 N N 3.066 122.079 118.700 0.521 0.000 2.437 118 N HA 0.150 5.097 4.740 0.345 0.000 0.243 118 N C 0.090 175.700 175.510 0.166 0.000 1.041 118 N CA -0.171 52.996 53.050 0.195 0.000 0.940 118 N CB 1.081 39.584 38.487 0.026 0.000 1.133 118 N HN 0.890 nan 8.380 nan 0.000 0.506 119 K N 1.807 122.247 120.400 0.067 0.000 2.283 119 K HA -0.072 4.455 4.320 0.345 0.000 0.202 119 K C 0.432 177.026 176.600 -0.009 0.000 1.048 119 K CA 0.682 57.032 56.287 0.105 0.000 0.948 119 K CB 0.381 32.903 32.500 0.037 0.000 0.742 119 K HN 0.506 nan 8.250 nan 0.000 0.458 120 D N 0.341 120.632 120.400 -0.182 0.000 2.104 120 D HA -0.180 4.667 4.640 0.345 0.000 0.194 120 D C 1.710 177.858 176.300 -0.254 0.000 0.994 120 D CA 1.601 55.402 54.000 -0.331 0.000 0.830 120 D CB -0.206 40.187 40.800 -0.679 0.000 0.959 120 D HN 0.259 nan 8.370 nan 0.000 0.452 121 Y N -0.133 120.166 120.300 -0.002 0.000 2.347 121 Y HA 0.150 4.907 4.550 0.345 0.000 0.294 121 Y C 1.113 177.052 175.900 0.065 0.000 1.117 121 Y CA 0.146 58.246 58.100 0.000 0.000 1.184 121 Y CB 0.275 38.671 38.460 -0.108 0.000 1.047 121 Y HN -0.267 nan 8.280 nan 0.000 0.546 122 V N 2.434 122.495 119.914 0.245 0.000 2.320 122 V HA 0.217 4.544 4.120 0.345 0.000 0.268 122 V C -2.077 174.132 176.094 0.193 0.000 1.021 122 V CA -1.309 61.101 62.300 0.183 0.000 0.813 122 V CB 1.501 33.428 31.823 0.173 0.000 1.054 122 V HN -0.011 nan 8.190 nan 0.000 0.444 123 P HA 0.031 nan 4.420 nan 0.000 0.222 123 P C 0.305 177.669 177.300 0.107 0.000 1.153 123 P CA 1.039 64.213 63.100 0.125 0.000 0.798 123 P CB 0.512 32.250 31.700 0.064 0.000 0.796 124 E N 0.002 120.192 120.200 -0.015 0.000 2.222 124 E HA 0.340 4.897 4.350 0.345 0.000 0.267 124 E C -2.536 173.867 176.600 -0.328 0.000 0.884 124 E CA -2.610 53.715 56.400 -0.125 0.000 0.764 124 E CB 1.475 31.133 29.700 -0.069 0.000 1.169 124 E HN 0.091 nan 8.360 nan 0.000 0.413 125 P HA 0.269 nan 4.420 nan 0.000 0.278 125 P C -2.475 174.649 177.300 -0.294 0.000 1.238 125 P CA -1.499 61.205 63.100 -0.659 0.000 0.794 125 P CB 0.031 31.250 31.700 -0.802 0.000 0.955 126 P HA 0.144 nan 4.420 nan 0.000 0.268 126 P C 0.460 177.694 177.300 -0.110 0.000 1.205 126 P CA 0.045 63.068 63.100 -0.130 0.000 0.771 126 P CB 1.053 32.687 31.700 -0.111 0.000 0.858 127 K N 0.186 120.537 120.400 -0.081 0.000 2.262 127 K HA 0.049 4.576 4.320 0.345 0.000 0.200 127 K C 1.072 177.641 176.600 -0.052 0.000 1.049 127 K CA 0.920 57.169 56.287 -0.063 0.000 0.979 127 K CB 0.127 32.597 32.500 -0.049 0.000 0.773 127 K HN 0.666 nan 8.250 nan 0.000 0.474 128 T N -3.193 111.330 114.554 -0.052 0.000 2.901 128 T HA 0.278 4.835 4.350 0.345 0.000 0.293 128 T C 0.861 175.530 174.700 -0.052 0.000 1.084 128 T CA -0.927 61.148 62.100 -0.042 0.000 1.008 128 T CB 1.473 70.323 68.868 -0.030 0.000 1.170 128 T HN -0.300 nan 8.240 nan 0.000 0.509 129 M N 0.846 120.421 119.600 -0.040 0.000 2.132 129 M HA -0.014 4.674 4.480 0.345 0.000 0.263 129 M C 1.473 177.726 176.300 -0.078 0.000 1.065 129 M CA 1.351 56.613 55.300 -0.063 0.000 1.122 129 M CB -1.392 31.193 32.600 -0.025 0.000 1.365 129 M HN 0.713 nan 8.290 nan 0.000 0.411 130 D N 0.394 120.767 120.400 -0.045 0.000 2.116 130 D HA -0.223 4.624 4.640 0.345 0.000 0.193 130 D C 1.888 178.159 176.300 -0.049 0.000 0.998 130 D CA 1.403 55.379 54.000 -0.040 0.000 0.836 130 D CB -0.267 40.521 40.800 -0.021 0.000 0.951 130 D HN 0.503 nan 8.370 nan 0.000 0.449 131 E N 0.123 120.293 120.200 -0.049 0.000 2.150 131 E HA -0.137 4.421 4.350 0.345 0.000 0.193 131 E C 2.315 178.875 176.600 -0.068 0.000 0.985 131 E CA 0.267 56.637 56.400 -0.051 0.000 0.814 131 E CB -0.095 29.576 29.700 -0.049 0.000 0.752 131 E HN 0.235 nan 8.360 nan 0.000 0.466 132 L N 0.519 121.683 121.223 -0.098 0.000 2.056 132 L HA -0.140 4.407 4.340 0.345 0.000 0.207 132 L C 2.280 179.069 176.870 -0.135 0.000 1.078 132 L CA 1.108 55.865 54.840 -0.139 0.000 0.749 132 L CB -0.152 41.772 42.059 -0.226 0.000 0.901 132 L HN 0.176 nan 8.230 nan 0.000 0.433 133 I N 0.160 120.650 120.570 -0.132 0.000 2.179 133 I HA -0.341 4.036 4.170 0.345 0.000 0.242 133 I C 2.570 178.660 176.117 -0.044 0.000 1.088 133 I CA 1.828 63.071 61.300 -0.094 0.000 1.357 133 I CB -0.420 37.530 38.000 -0.084 0.000 1.051 133 I HN 0.432 nan 8.210 nan 0.000 0.409 134 E N 1.469 121.647 120.200 -0.038 0.000 2.114 134 E HA -0.268 4.289 4.350 0.345 0.000 0.199 134 E C 2.244 178.842 176.600 -0.004 0.000 1.008 134 E CA 1.751 58.140 56.400 -0.018 0.000 0.810 134 E CB -0.120 29.569 29.700 -0.019 0.000 0.739 134 E HN 0.504 nan 8.360 nan 0.000 0.456 135 I N 0.551 121.116 120.570 -0.008 0.000 2.353 135 I HA -0.175 4.203 4.170 0.345 0.000 0.248 135 I C 2.533 178.673 176.117 0.039 0.000 1.119 135 I CA 0.831 62.141 61.300 0.017 0.000 1.417 135 I CB -0.235 37.770 38.000 0.009 0.000 1.078 135 I HN 0.201 nan 8.210 nan 0.000 0.421 136 A N 0.768 123.606 122.820 0.030 0.000 1.969 136 A HA -0.169 4.358 4.320 0.345 0.000 0.218 136 A C 2.294 179.911 177.584 0.055 0.000 1.169 136 A CA 1.288 53.363 52.037 0.063 0.000 0.635 136 A CB -0.325 18.730 19.000 0.091 0.000 0.810 136 A HN 0.284 nan 8.150 nan 0.000 0.445 137 K N -0.528 119.894 120.400 0.036 0.000 2.002 137 K HA -0.209 4.318 4.320 0.345 0.000 0.209 137 K C 2.390 179.015 176.600 0.041 0.000 1.048 137 K CA 1.451 57.758 56.287 0.032 0.000 0.930 137 K CB -0.278 32.233 32.500 0.017 0.000 0.714 137 K HN 0.636 nan 8.250 nan 0.000 0.438 138 Q N 1.060 120.887 119.800 0.045 0.000 2.014 138 Q HA -0.224 4.323 4.340 0.345 0.000 0.207 138 Q C 2.097 178.157 176.000 0.101 0.000 0.993 138 Q CA 1.624 57.462 55.803 0.059 0.000 0.850 138 Q CB -0.029 28.746 28.738 0.062 0.000 0.916 138 Q HN 0.241 nan 8.270 nan 0.000 0.417 139 I N 1.579 122.226 120.570 0.128 0.000 2.226 139 I HA -0.257 4.120 4.170 0.345 0.000 0.245 139 I C 1.969 178.190 176.117 0.173 0.000 1.100 139 I CA 1.391 62.808 61.300 0.196 0.000 1.374 139 I CB -1.330 36.702 38.000 0.055 0.000 1.057 139 I HN 0.259 nan 8.210 nan 0.000 0.413 140 D N 0.940 121.393 120.400 0.088 0.000 2.104 140 D HA -0.187 4.660 4.640 0.345 0.000 0.194 140 D C 1.484 177.824 176.300 0.066 0.000 0.994 140 D CA 1.337 55.375 54.000 0.062 0.000 0.830 140 D CB -0.090 40.736 40.800 0.044 0.000 0.959 140 D HN 0.453 nan 8.370 nan 0.000 0.452 141 E N -0.458 119.774 120.200 0.054 0.000 2.496 141 E HA 0.091 4.648 4.350 0.345 0.000 0.200 141 E C 0.953 177.553 176.600 -0.000 0.000 1.016 141 E CA -0.119 56.296 56.400 0.025 0.000 0.962 141 E CB 0.689 30.398 29.700 0.014 0.000 1.071 141 E HN 0.294 nan 8.360 nan 0.000 0.457 142 E N -0.349 119.854 120.200 0.005 0.000 2.474 142 E HA 0.067 4.624 4.350 0.345 0.000 0.215 142 E C 0.204 176.602 176.600 -0.336 0.000 0.867 142 E CA 0.071 56.380 56.400 -0.151 0.000 1.135 142 E CB 0.415 30.008 29.700 -0.178 0.000 1.147 142 E HN 0.138 nan 8.360 nan 0.000 0.534 143 F N 0.799 120.730 119.950 -0.032 0.000 2.850 143 F HA 0.386 5.120 4.527 0.346 0.000 0.306 143 F C 1.086 176.864 175.800 -0.036 0.000 1.162 143 F CA 0.110 58.087 58.000 -0.039 0.000 1.327 143 F CB 1.318 40.264 39.000 -0.090 0.000 0.953 143 F HN 0.126 nan 8.300 nan 0.000 0.507 144 G N 0.739 109.574 108.800 0.060 0.000 2.450 144 G HA2 -0.153 4.014 3.960 0.345 0.000 0.302 144 G HA3 -0.153 4.014 3.960 0.345 0.000 0.302 144 G C 1.327 176.256 174.900 0.047 0.000 0.957 144 G CA 0.560 45.683 45.100 0.037 0.000 1.005 144 G HN 1.140 nan 8.290 nan 0.000 0.514 145 G N -0.639 108.197 108.800 0.059 0.000 2.283 145 G HA2 -0.255 3.912 3.960 0.345 0.000 0.280 145 G HA3 -0.255 3.912 3.960 0.345 0.000 0.280 145 G C 0.812 175.722 174.900 0.017 0.000 1.029 145 G CA 1.242 46.361 45.100 0.031 0.000 0.840 145 G HN 1.371 nan 8.290 nan 0.000 0.505 146 E N -1.700 118.520 120.200 0.034 0.000 2.474 146 E HA 0.368 4.926 4.350 0.345 0.000 0.194 146 E C 0.501 177.060 176.600 -0.067 0.000 1.041 146 E CA 0.154 56.557 56.400 0.005 0.000 0.874 146 E CB 0.773 30.497 29.700 0.040 0.000 0.914 146 E HN 0.357 nan 8.360 nan 0.000 0.498 147 V N 2.224 122.065 119.914 -0.121 0.000 2.531 147 V HA 0.280 4.607 4.120 0.345 0.000 0.301 147 V C -0.259 175.713 176.094 -0.203 0.000 1.034 147 V CA -1.075 61.045 62.300 -0.299 0.000 0.865 147 V CB 1.842 33.209 31.823 -0.760 0.000 0.995 147 V HN 0.142 nan 8.190 nan 0.000 0.424 148 R N 2.541 122.942 120.500 -0.165 0.000 2.438 148 R HA 0.281 4.828 4.340 0.345 0.000 0.287 148 R C 1.359 177.612 176.300 -0.079 0.000 1.077 148 R CA 0.391 56.438 56.100 -0.089 0.000 1.034 148 R CB 1.093 31.352 30.300 -0.068 0.000 0.993 148 R HN 0.944 nan 8.270 nan 0.000 0.459 149 G N 1.869 110.667 108.800 -0.003 0.000 2.408 149 G HA2 -0.138 4.029 3.960 0.345 0.000 0.215 149 G HA3 -0.138 4.029 3.960 0.345 0.000 0.215 149 G C -0.073 174.944 174.900 0.195 0.000 1.156 149 G CA 0.549 45.685 45.100 0.060 0.000 0.793 149 G HN 0.482 nan 8.290 nan 0.000 0.535 150 F N 0.401 120.353 119.950 0.002 0.000 2.623 150 F HA 0.598 5.331 4.527 0.344 0.000 0.323 150 F C -1.615 174.193 175.800 0.013 0.000 1.158 150 F CA -1.836 56.176 58.000 0.021 0.000 1.030 150 F CB 1.251 40.265 39.000 0.023 0.000 1.280 150 F HN -0.080 nan 8.300 nan 0.000 0.474 151 I N 4.929 125.067 120.570 -0.719 0.000 2.582 151 I HA 0.656 5.033 4.170 0.345 0.000 0.292 151 I C -0.411 175.181 176.117 -0.874 0.000 1.066 151 I CA -0.743 60.159 61.300 -0.664 0.000 1.053 151 I CB 2.218 40.034 38.000 -0.307 0.000 1.241 151 I HN 0.656 nan 8.210 nan 0.000 0.421 152 T N 1.858 116.035 114.554 -0.628 0.000 2.754 152 T HA 0.280 4.837 4.350 0.345 0.000 0.296 152 T C -0.869 173.715 174.700 -0.194 0.000 1.205 152 T CA -0.401 61.503 62.100 -0.326 0.000 1.009 152 T CB 2.048 70.868 68.868 -0.081 0.000 1.368 152 T HN 0.524 nan 8.240 nan 0.000 0.509 153 S N 1.372 116.962 115.700 -0.183 0.000 2.700 153 S HA 0.449 5.127 4.470 0.345 0.000 0.321 153 S C 1.375 176.029 174.600 0.089 0.000 1.161 153 S CA 0.031 58.174 58.200 -0.096 0.000 1.078 153 S CB -0.590 62.474 63.200 -0.227 0.000 1.302 153 S HN 0.771 nan 8.310 nan 0.000 0.540 154 A N 4.312 127.169 122.820 0.062 0.000 2.019 154 A HA 0.140 4.667 4.320 0.345 0.000 0.219 154 A C 1.930 179.597 177.584 0.139 0.000 1.164 154 A CA 1.444 53.541 52.037 0.099 0.000 0.644 154 A CB -0.407 18.624 19.000 0.053 0.000 0.805 154 A HN 1.027 nan 8.150 nan 0.000 0.449 155 A N -1.120 121.784 122.820 0.140 0.000 2.430 155 A HA 0.360 4.887 4.320 0.345 0.000 0.243 155 A C 0.457 178.176 177.584 0.225 0.000 1.254 155 A CA -0.071 52.059 52.037 0.156 0.000 0.914 155 A CB -0.048 19.018 19.000 0.110 0.000 0.998 155 A HN 0.468 nan 8.150 nan 0.000 0.515 156 E N -0.255 120.123 120.200 0.296 0.000 2.109 156 E HA 0.341 4.898 4.350 0.345 0.000 0.278 156 E C 0.370 177.290 176.600 0.535 0.000 0.954 156 E CA -0.691 55.959 56.400 0.416 0.000 0.779 156 E CB 0.385 30.371 29.700 0.478 0.000 1.093 156 E HN 0.282 nan 8.360 nan 0.000 0.401 157 F N 5.706 125.878 119.950 0.369 0.000 2.115 157 F HA -0.304 4.430 4.527 0.344 0.000 0.300 157 F C 1.426 177.492 175.800 0.443 0.000 1.092 157 F CA 1.812 60.022 58.000 0.350 0.000 1.245 157 F CB -0.537 38.674 39.000 0.352 0.000 0.995 157 F HN 0.734 nan 8.300 nan 0.000 0.481 158 Y N -0.430 120.056 120.300 0.310 0.000 2.151 158 Y HA -0.322 4.434 4.550 0.343 0.000 0.284 158 Y C 2.014 177.873 175.900 -0.069 0.000 1.166 158 Y CA 2.341 60.528 58.100 0.144 0.000 1.163 158 Y CB -0.938 37.504 38.460 -0.031 0.000 0.974 158 Y HN 0.154 nan 8.280 nan 0.000 0.511 159 Y N -1.238 119.219 120.300 0.262 0.000 2.519 159 Y HA -0.056 4.702 4.550 0.347 0.000 0.287 159 Y C 1.851 177.838 175.900 0.145 0.000 1.128 159 Y CA 0.321 58.530 58.100 0.182 0.000 1.282 159 Y CB 0.062 38.702 38.460 0.300 0.000 1.027 159 Y HN 0.124 nan 8.280 nan 0.000 0.551 160 I N -0.994 119.737 120.570 0.268 0.000 3.645 160 I HA 0.070 4.447 4.170 0.345 0.000 0.300 160 I C 2.322 178.455 176.117 0.027 0.000 1.260 160 I CA 0.431 61.923 61.300 0.320 0.000 1.365 160 I CB -1.462 36.744 38.000 0.343 0.000 1.077 160 I HN 0.086 nan 8.210 nan 0.000 0.439 161 A N 2.299 124.908 122.820 -0.352 0.000 1.948 161 A HA -0.127 4.400 4.320 0.345 0.000 0.220 161 A C 0.041 177.099 177.584 -0.876 0.000 1.177 161 A CA 1.779 53.235 52.037 -0.968 0.000 0.636 161 A CB -1.900 16.165 19.000 -1.558 0.000 0.815 161 A HN 0.267 nan 8.150 nan 0.000 0.449 162 P HA -0.139 nan 4.420 nan 0.000 0.218 162 P C 0.894 177.852 177.300 -0.570 0.000 1.148 162 P CA 1.099 63.822 63.100 -0.629 0.000 0.822 162 P CB -0.173 31.031 31.700 -0.828 0.000 0.784 163 F N -1.368 118.509 119.950 -0.122 0.000 2.187 163 F HA 0.001 4.736 4.527 0.347 0.000 0.295 163 F C 2.341 178.156 175.800 0.025 0.000 1.091 163 F CA 0.700 58.679 58.000 -0.036 0.000 1.308 163 F CB -1.533 37.495 39.000 0.046 0.000 1.030 163 F HN -0.202 nan 8.300 nan 0.000 0.487 164 I N -0.723 119.889 120.570 0.070 0.000 2.127 164 I HA -0.311 4.067 4.170 0.345 0.000 0.241 164 I C 2.233 178.407 176.117 0.094 0.000 1.075 164 I CA 1.362 62.678 61.300 0.027 0.000 1.334 164 I CB -0.471 37.444 38.000 -0.141 0.000 1.040 164 I HN -0.016 nan 8.210 nan 0.000 0.405 165 F N 0.833 120.753 119.950 -0.051 0.000 2.163 165 F HA 0.007 4.743 4.527 0.347 0.000 0.297 165 F C 2.587 178.348 175.800 -0.066 0.000 1.094 165 F CA 0.833 58.783 58.000 -0.084 0.000 1.290 165 F CB -1.887 36.986 39.000 -0.212 0.000 1.017 165 F HN 0.021 nan 8.300 nan 0.000 0.483 166 G N -0.983 107.843 108.800 0.043 0.000 2.505 166 G HA2 -0.322 3.845 3.960 0.345 0.000 0.220 166 G HA3 -0.322 3.845 3.960 0.345 0.000 0.220 166 G C 1.290 176.134 174.900 -0.093 0.000 1.145 166 G CA 1.033 46.071 45.100 -0.103 0.000 0.761 166 G HN 0.375 nan 8.290 nan 0.000 0.571 167 Y N 0.099 120.450 120.300 0.085 0.000 2.466 167 Y HA 0.373 5.130 4.550 0.345 0.000 0.272 167 Y C 2.072 178.021 175.900 0.082 0.000 1.169 167 Y CA 0.015 58.159 58.100 0.074 0.000 1.285 167 Y CB 0.541 39.041 38.460 0.067 0.000 1.078 167 Y HN 0.343 nan 8.280 nan 0.000 0.523 168 G N -0.913 108.029 108.800 0.237 0.000 2.175 168 G HA2 -0.170 3.997 3.960 0.345 0.000 0.182 168 G HA3 -0.170 3.997 3.960 0.345 0.000 0.182 168 G C 0.687 175.727 174.900 0.234 0.000 1.003 168 G CA -0.331 44.898 45.100 0.216 0.000 0.666 168 G HN 0.666 nan 8.290 nan 0.000 0.506 169 G N -0.127 108.808 108.800 0.224 0.000 2.594 169 G HA2 0.688 4.855 3.960 0.345 0.000 0.243 169 G HA3 0.688 4.855 3.960 0.345 0.000 0.243 169 G C -0.287 174.809 174.900 0.326 0.000 1.229 169 G CA 0.383 45.575 45.100 0.153 0.000 0.843 169 G HN 1.629 nan 8.290 nan 0.000 0.578 170 Y N -1.952 118.478 120.300 0.216 0.000 2.592 170 Y HA 0.528 5.285 4.550 0.346 0.000 0.334 170 Y C 0.177 176.128 175.900 0.085 0.000 1.136 170 Y CA -1.325 56.818 58.100 0.072 0.000 1.042 170 Y CB 0.431 38.860 38.460 -0.052 0.000 1.325 170 Y HN 0.298 nan 8.280 nan 0.000 0.457 171 V N 0.325 120.344 119.914 0.174 0.000 2.251 171 V HA -0.007 4.320 4.120 0.345 0.000 0.237 171 V C -0.126 175.845 176.094 -0.206 0.000 1.040 171 V CA 1.133 63.349 62.300 -0.139 0.000 1.005 171 V CB -0.445 31.189 31.823 -0.315 0.000 0.645 171 V HN 0.611 nan 8.190 nan 0.000 0.458 172 F N 0.024 120.126 119.950 0.254 0.000 2.495 172 F HA 0.617 5.350 4.527 0.344 0.000 0.327 172 F C 0.034 175.894 175.800 0.099 0.000 1.103 172 F CA -1.808 56.308 58.000 0.194 0.000 0.949 172 F CB 1.077 40.134 39.000 0.096 0.000 1.142 172 F HN -0.165 nan 8.300 nan 0.000 0.457 173 K N 2.492 122.986 120.400 0.156 0.000 2.436 173 K HA 0.045 4.573 4.320 0.345 0.000 0.282 173 K C -0.384 176.118 176.600 -0.163 0.000 1.044 173 K CA 0.291 56.382 56.287 -0.327 0.000 1.028 173 K CB 0.147 32.468 32.500 -0.298 0.000 0.919 173 K HN 0.607 nan 8.250 nan 0.000 0.474 174 Q N 3.081 122.754 119.800 -0.212 0.000 2.307 174 Q HA 0.108 4.655 4.340 0.345 0.000 0.261 174 Q C -0.043 175.884 176.000 -0.122 0.000 1.051 174 Q CA -0.072 55.658 55.803 -0.121 0.000 0.911 174 Q CB 0.587 29.257 28.738 -0.114 0.000 1.227 174 Q HN 0.801 nan 8.270 nan 0.000 0.418 175 T N -1.895 112.606 114.554 -0.088 0.000 2.910 175 T HA 0.203 4.760 4.350 0.345 0.000 0.287 175 T C 0.956 175.621 174.700 -0.060 0.000 1.050 175 T CA -0.836 61.218 62.100 -0.076 0.000 1.011 175 T CB 1.242 70.068 68.868 -0.070 0.000 1.195 175 T HN 0.674 nan 8.240 nan 0.000 0.540 176 E N 0.086 120.257 120.200 -0.050 0.000 2.338 176 E HA -0.050 4.507 4.350 0.345 0.000 0.197 176 E C 1.024 177.598 176.600 -0.042 0.000 1.007 176 E CA 0.510 56.886 56.400 -0.040 0.000 0.849 176 E CB -0.046 29.635 29.700 -0.031 0.000 0.774 176 E HN 0.322 nan 8.360 nan 0.000 0.506 177 K N 0.925 121.293 120.400 -0.053 0.000 2.440 177 K HA 0.251 4.778 4.320 0.345 0.000 0.206 177 K C 0.381 176.915 176.600 -0.110 0.000 1.025 177 K CA 0.562 56.810 56.287 -0.065 0.000 1.135 177 K CB 1.038 33.505 32.500 -0.055 0.000 0.856 177 K HN 0.292 nan 8.250 nan 0.000 0.502 178 G N 0.766 109.501 108.800 -0.107 0.000 2.549 178 G HA2 -0.202 3.965 3.960 0.345 0.000 0.404 178 G HA3 -0.202 3.965 3.960 0.345 0.000 0.404 178 G C -0.921 173.908 174.900 -0.117 0.000 1.292 178 G CA -1.045 43.965 45.100 -0.151 0.000 0.935 178 G HN 0.105 nan 8.290 nan 0.000 0.512 179 L N 0.853 122.008 121.223 -0.113 0.000 2.410 179 L HA 0.308 4.856 4.340 0.345 0.000 0.273 179 L C 0.115 176.941 176.870 -0.073 0.000 1.144 179 L CA -0.298 54.521 54.840 -0.036 0.000 0.863 179 L CB 0.797 42.881 42.059 0.041 0.000 1.140 179 L HN 0.589 nan 8.230 nan 0.000 0.463 180 D N 2.885 123.273 120.400 -0.019 0.000 2.441 180 D HA 0.119 4.966 4.640 0.345 0.000 0.221 180 D C 0.910 177.213 176.300 0.005 0.000 1.156 180 D CA -0.472 53.514 54.000 -0.024 0.000 0.896 180 D CB 1.522 42.321 40.800 -0.002 0.000 1.028 180 D HN 0.323 nan 8.370 nan 0.000 0.509 181 V N 1.760 121.570 119.914 -0.173 0.000 3.141 181 V HA -0.044 4.283 4.120 0.345 0.000 0.265 181 V C 0.861 176.933 176.094 -0.037 0.000 1.126 181 V CA 1.085 63.163 62.300 -0.370 0.000 1.141 181 V CB -0.841 30.594 31.823 -0.647 0.000 0.743 181 V HN 0.339 nan 8.190 nan 0.000 0.492 182 N N 0.900 119.610 118.700 0.017 0.000 2.322 182 N HA 0.102 5.049 4.740 0.345 0.000 0.194 182 N C -0.018 175.561 175.510 0.115 0.000 1.126 182 N CA 0.475 53.563 53.050 0.063 0.000 0.845 182 N CB 0.180 38.684 38.487 0.029 0.000 0.976 182 N HN 0.529 nan 8.380 nan 0.000 0.475 183 D N 1.135 121.645 120.400 0.182 0.000 2.375 183 D HA 0.223 5.070 4.640 0.345 0.000 0.259 183 D C -0.925 175.608 176.300 0.387 0.000 1.235 183 D CA -0.384 53.755 54.000 0.233 0.000 0.924 183 D CB 0.332 41.242 40.800 0.183 0.000 1.143 183 D HN 0.015 nan 8.370 nan 0.000 0.529 184 I N 1.752 122.490 120.570 0.280 0.000 2.353 184 I HA 0.425 4.803 4.170 0.345 0.000 0.293 184 I C 1.423 177.494 176.117 -0.077 0.000 0.992 184 I CA -0.714 60.692 61.300 0.176 0.000 1.268 184 I CB 2.116 40.180 38.000 0.107 0.000 1.387 184 I HN 0.493 nan 8.210 nan 0.000 0.478 185 G N 5.806 114.307 108.800 -0.498 0.000 3.774 185 G HA2 0.291 4.459 3.960 0.345 0.000 0.287 185 G HA3 0.291 4.459 3.960 0.345 0.000 0.287 185 G C 0.764 175.345 174.900 -0.532 0.000 1.030 185 G CA -0.170 44.297 45.100 -1.055 0.000 0.824 185 G HN 0.562 nan 8.290 nan 0.000 0.518 186 L N 0.257 121.310 121.223 -0.284 0.000 2.599 186 L HA 0.261 4.808 4.340 0.345 0.000 0.230 186 L C 1.999 178.782 176.870 -0.145 0.000 1.141 186 L CA 0.588 55.319 54.840 -0.181 0.000 0.877 186 L CB 0.492 42.431 42.059 -0.200 0.000 1.009 186 L HN 0.292 nan 8.230 nan 0.000 0.447 187 A N -0.407 122.330 122.820 -0.138 0.000 2.616 187 A HA 0.210 4.737 4.320 0.345 0.000 0.294 187 A C 0.232 177.765 177.584 -0.085 0.000 1.091 187 A CA -0.528 51.452 52.037 -0.094 0.000 0.971 187 A CB -0.351 18.605 19.000 -0.074 0.000 1.222 187 A HN 0.382 nan 8.150 nan 0.000 0.521 188 N N -0.493 118.140 118.700 -0.112 0.000 2.405 188 N HA 0.169 5.116 4.740 0.345 0.000 0.269 188 N C 0.472 175.955 175.510 -0.045 0.000 1.249 188 N CA -0.104 52.899 53.050 -0.078 0.000 0.974 188 N CB 0.257 38.682 38.487 -0.102 0.000 1.204 188 N HN 0.179 nan 8.380 nan 0.000 0.565 189 E N -0.816 119.371 120.200 -0.022 0.000 2.097 189 E HA -0.158 4.399 4.350 0.345 0.000 0.196 189 E C 1.673 178.258 176.600 -0.025 0.000 1.000 189 E CA 1.664 58.049 56.400 -0.024 0.000 0.804 189 E CB -0.512 29.181 29.700 -0.011 0.000 0.740 189 E HN 0.810 nan 8.360 nan 0.000 0.454 190 G N 0.815 109.626 108.800 0.019 0.000 2.408 190 G HA2 -0.205 3.962 3.960 0.345 0.000 0.217 190 G HA3 -0.205 3.962 3.960 0.345 0.000 0.217 190 G C 1.659 176.606 174.900 0.078 0.000 1.150 190 G CA 0.733 45.880 45.100 0.078 0.000 0.776 190 G HN 0.349 nan 8.290 nan 0.000 0.542 191 A N 0.804 123.644 122.820 0.034 0.000 1.898 191 A HA 0.067 4.594 4.320 0.345 0.000 0.216 191 A C 2.384 179.971 177.584 0.005 0.000 1.181 191 A CA 1.197 53.249 52.037 0.025 0.000 0.620 191 A CB -0.357 18.623 19.000 -0.033 0.000 0.819 191 A HN 0.362 nan 8.150 nan 0.000 0.442 192 I N -0.516 120.037 120.570 -0.029 0.000 2.127 192 I HA -0.310 4.067 4.170 0.345 0.000 0.241 192 I C 2.561 178.636 176.117 -0.070 0.000 1.075 192 I CA 2.036 63.309 61.300 -0.045 0.000 1.334 192 I CB -0.269 37.700 38.000 -0.052 0.000 1.040 192 I HN 0.361 nan 8.210 nan 0.000 0.405 193 K N 0.930 121.252 120.400 -0.131 0.000 2.063 193 K HA -0.180 4.347 4.320 0.345 0.000 0.208 193 K C 2.093 178.568 176.600 -0.208 0.000 1.048 193 K CA 1.722 57.833 56.287 -0.294 0.000 0.928 193 K CB -0.411 31.737 32.500 -0.587 0.000 0.713 193 K HN 0.413 nan 8.250 nan 0.000 0.442 194 G N -0.022 108.801 108.800 0.038 0.000 2.402 194 G HA2 -0.183 3.984 3.960 0.345 0.000 0.216 194 G HA3 -0.183 3.984 3.960 0.345 0.000 0.216 194 G C 1.423 176.409 174.900 0.144 0.000 1.162 194 G CA 0.875 46.144 45.100 0.282 0.000 0.777 194 G HN 0.211 nan 8.290 nan 0.000 0.539 195 V N 0.638 120.596 119.914 0.073 0.000 2.548 195 V HA -0.084 4.243 4.120 0.345 0.000 0.249 195 V C 2.685 178.782 176.094 0.005 0.000 1.055 195 V CA 1.661 63.989 62.300 0.046 0.000 1.065 195 V CB -0.290 31.551 31.823 0.030 0.000 0.681 195 V HN 0.309 nan 8.190 nan 0.000 0.462 196 K N -0.159 120.228 120.400 -0.022 0.000 2.147 196 K HA -0.173 4.354 4.320 0.345 0.000 0.205 196 K C 2.113 178.685 176.600 -0.046 0.000 1.049 196 K CA 1.306 57.568 56.287 -0.042 0.000 0.936 196 K CB -0.334 32.124 32.500 -0.070 0.000 0.722 196 K HN 0.325 nan 8.250 nan 0.000 0.446 197 L N 1.436 122.634 121.223 -0.042 0.000 2.056 197 L HA -0.140 4.407 4.340 0.345 0.000 0.207 197 L C 2.092 178.891 176.870 -0.118 0.000 1.078 197 L CA 1.300 56.100 54.840 -0.066 0.000 0.749 197 L CB -0.579 41.465 42.059 -0.024 0.000 0.901 197 L HN 0.075 nan 8.230 nan 0.000 0.433 198 L N -0.017 121.140 121.223 -0.110 0.000 1.989 198 L HA -0.214 4.333 4.340 0.345 0.000 0.211 198 L C 2.570 179.422 176.870 -0.030 0.000 1.071 198 L CA 2.305 57.096 54.840 -0.083 0.000 0.749 198 L CB -0.918 41.137 42.059 -0.006 0.000 0.890 198 L HN 0.314 nan 8.230 nan 0.000 0.431 199 K N 0.127 120.517 120.400 -0.017 0.000 2.074 199 K HA -0.254 4.273 4.320 0.345 0.000 0.209 199 K C 2.407 178.998 176.600 -0.015 0.000 1.048 199 K CA 2.002 58.284 56.287 -0.009 0.000 0.926 199 K CB -0.474 32.020 32.500 -0.009 0.000 0.713 199 K HN 0.396 nan 8.250 nan 0.000 0.444 200 R N 0.126 120.608 120.500 -0.029 0.000 2.083 200 R HA -0.114 4.433 4.340 0.345 0.000 0.237 200 R C 2.232 178.518 176.300 -0.023 0.000 1.137 200 R CA 1.845 57.928 56.100 -0.029 0.000 0.951 200 R CB -0.408 29.869 30.300 -0.039 0.000 0.851 200 R HN 0.263 nan 8.270 nan 0.000 0.434 201 L N 0.262 121.466 121.223 -0.030 0.000 2.131 201 L HA -0.163 4.384 4.340 0.345 0.000 0.210 201 L C 2.382 179.266 176.870 0.023 0.000 1.092 201 L CA 0.828 55.666 54.840 -0.002 0.000 0.759 201 L CB -0.283 41.783 42.059 0.011 0.000 0.903 201 L HN 0.098 nan 8.230 nan 0.000 0.435 202 V N -0.659 119.264 119.914 0.016 0.000 2.283 202 V HA -0.227 4.100 4.120 0.345 0.000 0.243 202 V C 2.097 178.198 176.094 0.012 0.000 1.039 202 V CA 1.720 64.031 62.300 0.018 0.000 1.016 202 V CB -0.472 31.361 31.823 0.017 0.000 0.650 202 V HN 0.364 nan 8.190 nan 0.000 0.449 203 D N 0.312 120.714 120.400 0.004 0.000 2.133 203 D HA -0.179 4.668 4.640 0.345 0.000 0.195 203 D C 2.057 178.359 176.300 0.002 0.000 0.997 203 D CA 1.333 55.334 54.000 0.001 0.000 0.840 203 D CB -0.194 40.604 40.800 -0.004 0.000 0.947 203 D HN 0.544 nan 8.370 nan 0.000 0.452 204 E N -0.495 119.706 120.200 0.002 0.000 2.502 204 E HA 0.157 4.714 4.350 0.345 0.000 0.194 204 E C 1.079 177.686 176.600 0.012 0.000 1.062 204 E CA 0.293 56.695 56.400 0.004 0.000 0.867 204 E CB 0.213 29.912 29.700 -0.001 0.000 0.888 204 E HN 0.296 nan 8.360 nan 0.000 0.510 205 G N 1.316 110.126 108.800 0.017 0.000 2.153 205 G HA2 -0.297 3.870 3.960 0.345 0.000 0.252 205 G HA3 -0.297 3.870 3.960 0.345 0.000 0.252 205 G C 0.763 175.684 174.900 0.034 0.000 0.994 205 G CA 0.463 45.575 45.100 0.021 0.000 0.698 205 G HN 0.257 nan 8.290 nan 0.000 0.521 206 I N -0.291 120.309 120.570 0.050 0.000 2.406 206 I HA 0.255 4.632 4.170 0.345 0.000 0.249 206 I C 1.554 177.734 176.117 0.104 0.000 1.122 206 I CA 0.987 62.342 61.300 0.092 0.000 1.431 206 I CB -0.043 38.030 38.000 0.122 0.000 1.087 206 I HN 0.227 nan 8.210 nan 0.000 0.424 207 L N 0.363 121.635 121.223 0.081 0.000 2.334 207 L HA 0.343 4.890 4.340 0.345 0.000 0.276 207 L C -0.332 176.550 176.870 0.020 0.000 1.014 207 L CA -0.639 54.228 54.840 0.046 0.000 0.815 207 L CB 1.432 43.528 42.059 0.061 0.000 1.268 207 L HN 0.017 nan 8.230 nan 0.000 0.428 208 D N 3.690 124.090 120.400 0.000 0.000 2.210 208 D HA 0.187 5.034 4.640 0.345 0.000 0.249 208 D C -1.755 174.548 176.300 0.005 0.000 1.078 208 D CA -1.579 52.421 54.000 0.001 0.000 0.875 208 D CB 2.379 43.174 40.800 -0.009 0.000 1.175 208 D HN 0.269 nan 8.370 nan 0.000 0.440 209 P HA -0.081 nan 4.420 nan 0.000 0.234 209 P C 0.818 178.129 177.300 0.018 0.000 1.167 209 P CA 0.564 63.675 63.100 0.019 0.000 0.763 209 P CB 0.181 31.892 31.700 0.019 0.000 0.835 210 S N -2.651 113.055 115.700 0.010 0.000 2.540 210 S HA 0.081 4.758 4.470 0.345 0.000 0.218 210 S C 0.497 175.098 174.600 0.000 0.000 0.977 210 S CA -0.517 57.688 58.200 0.009 0.000 0.918 210 S CB -0.623 62.581 63.200 0.006 0.000 0.806 210 S HN -0.082 nan 8.310 nan 0.000 0.496 211 D N 4.172 124.565 120.400 -0.011 0.000 2.458 211 D HA 0.289 5.136 4.640 0.345 0.000 0.243 211 D C 0.309 176.593 176.300 -0.026 0.000 1.146 211 D CA 0.536 54.515 54.000 -0.037 0.000 0.877 211 D CB 0.570 41.331 40.800 -0.066 0.000 1.176 211 D HN 0.672 nan 8.370 nan 0.000 0.461 212 N N 0.528 119.205 118.700 -0.039 0.000 3.229 212 N HA 0.065 5.012 4.740 0.345 0.000 0.315 212 N C 0.337 175.813 175.510 -0.056 0.000 1.520 212 N CA -0.743 52.299 53.050 -0.014 0.000 0.769 212 N CB 0.181 38.685 38.487 0.029 0.000 1.766 212 N HN 0.258 nan 8.380 nan 0.000 0.618 213 Y N -0.149 120.082 120.300 -0.115 0.000 2.089 213 Y HA -0.180 4.578 4.550 0.346 0.000 0.282 213 Y C 2.620 178.492 175.900 -0.047 0.000 1.139 213 Y CA 2.778 60.799 58.100 -0.131 0.000 1.123 213 Y CB -0.316 38.092 38.460 -0.088 0.000 0.980 213 Y HN 0.717 nan 8.280 nan 0.000 0.493 214 Q N 0.872 120.746 119.800 0.124 0.000 2.096 214 Q HA -0.237 4.310 4.340 0.345 0.000 0.208 214 Q C 2.012 177.986 176.000 -0.043 0.000 0.993 214 Q CA 2.691 58.534 55.803 0.066 0.000 0.862 214 Q CB -0.841 27.948 28.738 0.085 0.000 0.915 214 Q HN 0.705 nan 8.270 nan 0.000 0.416 215 I N -0.184 120.354 120.570 -0.054 0.000 2.127 215 I HA -0.318 4.059 4.170 0.345 0.000 0.241 215 I C 2.610 178.658 176.117 -0.116 0.000 1.075 215 I CA 1.762 63.021 61.300 -0.069 0.000 1.334 215 I CB -0.441 37.525 38.000 -0.058 0.000 1.040 215 I HN 0.421 nan 8.210 nan 0.000 0.405 216 M N 0.528 120.012 119.600 -0.193 0.000 2.106 216 M HA -0.295 4.392 4.480 0.345 0.000 0.259 216 M C 1.898 178.076 176.300 -0.203 0.000 1.068 216 M CA 2.332 57.490 55.300 -0.236 0.000 1.100 216 M CB -0.300 32.094 32.600 -0.343 0.000 1.351 216 M HN 0.189 nan 8.290 nan 0.000 0.404 217 D N -0.146 120.076 120.400 -0.296 0.000 2.084 217 D HA -0.134 4.713 4.640 0.345 0.000 0.196 217 D C 2.074 178.413 176.300 0.066 0.000 0.985 217 D CA 2.120 56.040 54.000 -0.134 0.000 0.826 217 D CB -0.095 40.536 40.800 -0.283 0.000 0.978 217 D HN 0.556 nan 8.370 nan 0.000 0.456 218 S N -0.133 115.579 115.700 0.020 0.000 2.348 218 S HA -0.208 4.469 4.470 0.345 0.000 0.221 218 S C 2.301 176.909 174.600 0.014 0.000 1.033 218 S CA 1.212 59.437 58.200 0.042 0.000 1.010 218 S CB -0.655 62.558 63.200 0.021 0.000 0.891 218 S HN 0.267 nan 8.310 nan 0.000 0.442 219 M N 0.131 119.721 119.600 -0.016 0.000 2.108 219 M HA -0.043 4.644 4.480 0.345 0.000 0.261 219 M C 2.210 178.478 176.300 -0.053 0.000 1.066 219 M CA 1.894 57.172 55.300 -0.038 0.000 1.107 219 M CB -0.645 31.925 32.600 -0.050 0.000 1.356 219 M HN 0.411 nan 8.290 nan 0.000 0.406 220 F N 0.838 120.675 119.950 -0.188 0.000 2.146 220 F HA -0.164 4.571 4.527 0.346 0.000 0.298 220 F C 2.679 178.277 175.800 -0.336 0.000 1.096 220 F CA 1.607 59.434 58.000 -0.289 0.000 1.275 220 F CB -0.302 38.433 39.000 -0.443 0.000 1.008 220 F HN -0.027 nan 8.300 nan 0.000 0.480 221 R N 0.668 121.088 120.500 -0.134 0.000 2.091 221 R HA -0.173 4.374 4.340 0.345 0.000 0.238 221 R C 1.427 177.683 176.300 -0.073 0.000 1.136 221 R CA 2.067 58.157 56.100 -0.017 0.000 0.959 221 R CB -0.402 30.062 30.300 0.272 0.000 0.856 221 R HN 0.386 nan 8.270 nan 0.000 0.437 222 E N -1.251 118.907 120.200 -0.070 0.000 2.445 222 E HA 0.108 4.665 4.350 0.345 0.000 0.189 222 E C 0.506 177.049 176.600 -0.095 0.000 1.069 222 E CA 0.338 56.703 56.400 -0.057 0.000 0.871 222 E CB 0.718 30.403 29.700 -0.025 0.000 0.991 222 E HN 0.667 nan 8.360 nan 0.000 0.481 223 G N 1.661 110.353 108.800 -0.180 0.000 2.176 223 G HA2 -0.341 3.826 3.960 0.345 0.000 0.253 223 G HA3 -0.341 3.826 3.960 0.345 0.000 0.253 223 G C 0.575 175.417 174.900 -0.097 0.000 0.979 223 G CA 0.007 45.019 45.100 -0.148 0.000 0.641 223 G HN 0.341 nan 8.290 nan 0.000 0.530 224 Q N 0.017 119.734 119.800 -0.138 0.000 2.225 224 Q HA 0.654 5.201 4.340 0.345 0.000 0.259 224 Q C 0.334 176.234 176.000 -0.167 0.000 0.872 224 Q CA 0.582 56.295 55.803 -0.150 0.000 1.042 224 Q CB 1.024 29.703 28.738 -0.098 0.000 1.142 224 Q HN 1.033 nan 8.270 nan 0.000 0.463 225 A N -0.489 122.227 122.820 -0.174 0.000 2.491 225 A HA 0.688 5.215 4.320 0.345 0.000 0.293 225 A C -0.004 177.597 177.584 0.028 0.000 1.047 225 A CA -0.367 51.630 52.037 -0.068 0.000 0.735 225 A CB 0.916 19.951 19.000 0.059 0.000 1.281 225 A HN 0.222 nan 8.150 nan 0.000 0.398 226 A N 2.445 125.284 122.820 0.030 0.000 1.935 226 A HA 0.504 5.031 4.320 0.345 0.000 0.214 226 A C 0.828 178.640 177.584 0.380 0.000 1.178 226 A CA 1.192 53.339 52.037 0.183 0.000 0.640 226 A CB -0.079 18.959 19.000 0.064 0.000 0.825 226 A HN 0.789 nan 8.150 nan 0.000 0.447 227 M N -0.082 119.723 119.600 0.341 0.000 2.386 227 M HA 0.569 5.256 4.480 0.345 0.000 0.293 227 M C -0.961 175.490 176.300 0.252 0.000 1.120 227 M CA -0.377 55.142 55.300 0.365 0.000 0.909 227 M CB 2.587 35.427 32.600 0.399 0.000 1.661 227 M HN 0.424 nan 8.290 nan 0.000 0.452 228 I N -0.897 119.713 120.570 0.068 0.000 3.264 228 I HA 0.722 5.099 4.170 0.345 0.000 0.315 228 I C -1.512 174.649 176.117 0.073 0.000 1.154 228 I CA -1.147 60.106 61.300 -0.078 0.000 0.962 228 I CB 2.461 40.298 38.000 -0.272 0.000 1.265 228 I HN 0.664 nan 8.210 nan 0.000 0.463 229 I N 2.777 123.405 120.570 0.098 0.000 2.411 229 I HA 0.496 4.873 4.170 0.345 0.000 0.284 229 I C -0.780 175.483 176.117 0.244 0.000 1.012 229 I CA -0.111 61.313 61.300 0.207 0.000 1.119 229 I CB 1.295 39.497 38.000 0.337 0.000 1.261 229 I HN 0.584 nan 8.210 nan 0.000 0.448 230 N N 3.416 122.228 118.700 0.186 0.000 2.825 230 N HA 0.637 5.584 4.740 0.345 0.000 0.253 230 N C -0.756 174.728 175.510 -0.043 0.000 1.426 230 N CA -0.375 52.802 53.050 0.211 0.000 0.851 230 N CB 2.272 40.829 38.487 0.116 0.000 1.470 230 N HN 0.547 nan 8.380 nan 0.000 0.517 231 G N -0.182 108.184 108.800 -0.725 0.000 2.552 231 G HA2 0.445 4.612 3.960 0.345 0.000 0.318 231 G HA3 0.445 4.612 3.960 0.345 0.000 0.318 231 G C -1.921 172.071 174.900 -1.515 0.000 1.240 231 G CA -1.212 43.002 45.100 -1.476 0.000 1.002 231 G HN 0.441 nan 8.290 nan 0.000 0.493 232 P HA -0.065 nan 4.420 nan 0.000 0.220 232 P C 1.347 178.317 177.300 -0.550 0.000 1.148 232 P CA 1.124 63.587 63.100 -1.062 0.000 0.803 232 P CB -0.013 31.104 31.700 -0.971 0.000 0.782 233 W N 0.087 121.249 121.300 -0.230 0.000 2.424 233 W HA 0.028 4.894 4.660 0.344 0.000 0.264 233 W C 1.662 178.071 176.519 -0.183 0.000 1.229 233 W CA 0.991 58.232 57.345 -0.173 0.000 1.208 233 W CB -1.808 27.570 29.460 -0.136 0.000 1.127 233 W HN -0.104 nan 8.180 nan 0.000 0.588 234 A N 0.553 123.095 122.820 -0.464 0.000 2.095 234 A HA 0.105 4.632 4.320 0.345 0.000 0.212 234 A C 1.923 178.983 177.584 -0.874 0.000 1.162 234 A CA 0.688 52.416 52.037 -0.515 0.000 0.753 234 A CB -0.449 18.244 19.000 -0.512 0.000 0.840 234 A HN 0.245 nan 8.150 nan 0.000 0.468 235 I N 0.595 120.809 120.570 -0.594 0.000 2.286 235 I HA -0.222 4.155 4.170 0.345 0.000 0.248 235 I C 2.348 178.239 176.117 -0.377 0.000 1.115 235 I CA 1.769 62.745 61.300 -0.540 0.000 1.392 235 I CB -0.889 36.924 38.000 -0.312 0.000 1.065 235 I HN 0.452 nan 8.210 nan 0.000 0.418 236 K N 1.347 121.606 120.400 -0.234 0.000 2.026 236 K HA -0.163 4.364 4.320 0.345 0.000 0.208 236 K C 2.199 178.757 176.600 -0.070 0.000 1.048 236 K CA 1.639 57.869 56.287 -0.096 0.000 0.929 236 K CB -0.034 32.426 32.500 -0.066 0.000 0.713 236 K HN 0.213 nan 8.250 nan 0.000 0.439 237 A N 0.508 123.245 122.820 -0.138 0.000 1.978 237 A HA -0.183 4.344 4.320 0.345 0.000 0.220 237 A C 1.841 179.485 177.584 0.101 0.000 1.170 237 A CA 1.387 53.397 52.037 -0.046 0.000 0.636 237 A CB -0.699 18.260 19.000 -0.068 0.000 0.810 237 A HN 0.408 nan 8.150 nan 0.000 0.448 238 Y N -0.270 120.043 120.300 0.022 0.000 2.153 238 Y HA -0.077 4.680 4.550 0.346 0.000 0.289 238 Y C 2.306 178.268 175.900 0.103 0.000 1.127 238 Y CA 0.930 59.070 58.100 0.066 0.000 1.131 238 Y CB -0.989 37.510 38.460 0.066 0.000 0.995 238 Y HN 0.306 nan 8.280 nan 0.000 0.505 239 K N 0.349 120.918 120.400 0.283 0.000 2.113 239 K HA -0.219 4.308 4.320 0.345 0.000 0.208 239 K C 1.126 177.823 176.600 0.163 0.000 1.047 239 K CA 2.025 58.487 56.287 0.291 0.000 0.928 239 K CB -0.199 32.479 32.500 0.298 0.000 0.716 239 K HN 0.210 nan 8.250 nan 0.000 0.446 240 D N -0.307 120.165 120.400 0.120 0.000 2.312 240 D HA -0.058 4.789 4.640 0.345 0.000 0.211 240 D C 1.073 177.418 176.300 0.076 0.000 0.964 240 D CA 0.825 54.873 54.000 0.080 0.000 0.877 240 D CB 0.200 41.033 40.800 0.056 0.000 0.924 240 D HN 0.318 nan 8.370 nan 0.000 0.515 241 A N -0.513 122.367 122.820 0.100 0.000 2.345 241 A HA 0.486 5.013 4.320 0.345 0.000 0.225 241 A C 1.564 179.178 177.584 0.051 0.000 1.243 241 A CA 0.600 52.680 52.037 0.072 0.000 0.875 241 A CB -0.125 18.926 19.000 0.085 0.000 0.929 241 A HN 0.153 nan 8.150 nan 0.000 0.502 242 G N -0.115 108.726 108.800 0.068 0.000 2.160 242 G HA2 -0.189 3.978 3.960 0.345 0.000 0.244 242 G HA3 -0.189 3.978 3.960 0.345 0.000 0.244 242 G C -0.061 174.852 174.900 0.022 0.000 1.022 242 G CA 0.156 45.281 45.100 0.042 0.000 0.741 242 G HN 0.316 nan 8.290 nan 0.000 0.508 243 I N 0.768 121.376 120.570 0.063 0.000 2.529 243 I HA 0.224 4.601 4.170 0.345 0.000 0.284 243 I C 0.422 176.584 176.117 0.076 0.000 1.082 243 I CA -0.908 60.398 61.300 0.011 0.000 1.406 243 I CB 1.282 39.255 38.000 -0.045 0.000 1.405 243 I HN 0.101 nan 8.210 nan 0.000 0.548 244 D N 7.019 127.393 120.400 -0.043 0.000 2.631 244 D HA 0.096 4.943 4.640 0.345 0.000 0.227 244 D C -0.317 175.913 176.300 -0.116 0.000 1.146 244 D CA -0.313 53.624 54.000 -0.106 0.000 1.009 244 D CB -0.416 40.310 40.800 -0.123 0.000 1.057 244 D HN 0.314 nan 8.370 nan 0.000 0.509 245 Y N -0.101 120.178 120.300 -0.036 0.000 2.307 245 Y HA 0.702 5.460 4.550 0.345 0.000 0.324 245 Y C 0.471 176.216 175.900 -0.260 0.000 1.238 245 Y CA -1.220 56.855 58.100 -0.041 0.000 1.280 245 Y CB 1.012 39.582 38.460 0.184 0.000 1.248 245 Y HN 0.066 nan 8.280 nan 0.000 0.508 246 G N 1.134 109.568 108.800 -0.610 0.000 2.568 246 G HA2 0.627 4.794 3.960 0.345 0.000 0.313 246 G HA3 0.627 4.794 3.960 0.345 0.000 0.313 246 G C -1.914 172.659 174.900 -0.545 0.000 1.227 246 G CA -1.171 43.444 45.100 -0.809 0.000 0.979 246 G HN 0.710 nan 8.290 nan 0.000 0.486 247 V N -0.082 119.710 119.914 -0.203 0.000 2.638 247 V HA 0.820 5.147 4.120 0.345 0.000 0.306 247 V C 0.084 176.159 176.094 -0.030 0.000 1.052 247 V CA -0.426 61.769 62.300 -0.176 0.000 0.885 247 V CB 1.085 32.605 31.823 -0.504 0.000 0.999 247 V HN 1.316 nan 8.190 nan 0.000 0.424 248 A N 5.987 128.816 122.820 0.015 0.000 2.566 248 A HA 1.027 5.554 4.320 0.345 0.000 0.292 248 A C -3.163 174.389 177.584 -0.054 0.000 1.112 248 A CA -1.880 50.166 52.037 0.016 0.000 0.707 248 A CB 2.103 21.154 19.000 0.084 0.000 1.302 248 A HN 0.580 nan 8.150 nan 0.000 0.409 249 P HA 0.198 nan 4.420 nan 0.000 0.268 249 P C -0.370 176.908 177.300 -0.037 0.000 1.208 249 P CA 0.207 63.278 63.100 -0.049 0.000 0.777 249 P CB 0.143 31.816 31.700 -0.045 0.000 0.875 250 I N 3.862 124.408 120.570 -0.040 0.000 2.752 250 I HA -0.039 4.338 4.170 0.345 0.000 0.289 250 I C -1.717 174.378 176.117 -0.036 0.000 1.197 250 I CA -1.182 60.101 61.300 -0.028 0.000 1.432 250 I CB -0.404 37.548 38.000 -0.080 0.000 1.359 250 I HN 0.235 nan 8.210 nan 0.000 0.571 251 P HA -0.009 nan 4.420 nan 0.000 0.266 251 P C -0.845 176.436 177.300 -0.032 0.000 1.195 251 P CA -0.088 62.990 63.100 -0.037 0.000 0.768 251 P CB 0.324 31.993 31.700 -0.051 0.000 0.838 252 D N 1.535 121.909 120.400 -0.043 0.000 2.506 252 D HA -0.042 4.805 4.640 0.345 0.000 0.234 252 D C 1.485 177.757 176.300 -0.047 0.000 1.143 252 D CA 0.299 54.267 54.000 -0.053 0.000 0.871 252 D CB 0.454 41.226 40.800 -0.047 0.000 1.190 252 D HN 0.272 nan 8.370 nan 0.000 0.459 253 L N 0.877 122.044 121.223 -0.094 0.000 2.072 253 L HA -0.027 4.520 4.340 0.345 0.000 0.205 253 L C 0.872 177.729 176.870 -0.021 0.000 1.079 253 L CA 1.007 55.783 54.840 -0.106 0.000 0.752 253 L CB -0.158 41.629 42.059 -0.453 0.000 0.906 253 L HN 0.334 nan 8.230 nan 0.000 0.436 254 E N -1.497 118.684 120.200 -0.032 0.000 2.429 254 E HA 0.386 4.943 4.350 0.345 0.000 0.276 254 E C -2.549 174.050 176.600 -0.002 0.000 0.953 254 E CA -2.444 53.970 56.400 0.023 0.000 0.787 254 E CB 0.922 30.669 29.700 0.078 0.000 1.307 254 E HN -0.251 nan 8.360 nan 0.000 0.458 255 P HA 0.104 nan 4.420 nan 0.000 0.263 255 P C 0.673 177.973 177.300 -0.001 0.000 1.195 255 P CA 1.053 64.153 63.100 -0.001 0.000 0.762 255 P CB 0.198 31.900 31.700 0.004 0.000 0.799 256 G N 1.913 110.707 108.800 -0.009 0.000 2.162 256 G HA2 -0.210 3.957 3.960 0.345 0.000 0.260 256 G HA3 -0.210 3.957 3.960 0.345 0.000 0.260 256 G C -0.016 174.874 174.900 -0.017 0.000 0.976 256 G CA -0.027 45.068 45.100 -0.009 0.000 0.655 256 G HN 0.515 nan 8.290 nan 0.000 0.533 257 V N 2.558 122.451 119.914 -0.034 0.000 2.320 257 V HA 0.399 4.726 4.120 0.345 0.000 0.268 257 V C -1.787 174.242 176.094 -0.108 0.000 1.021 257 V CA -1.332 60.928 62.300 -0.066 0.000 0.813 257 V CB 1.692 33.473 31.823 -0.070 0.000 1.054 257 V HN 0.216 nan 8.190 nan 0.000 0.444 258 P HA 0.350 nan 4.420 nan 0.000 0.276 258 P C -0.092 177.126 177.300 -0.136 0.000 1.244 258 P CA -0.074 62.969 63.100 -0.096 0.000 0.801 258 P CB 1.268 32.927 31.700 -0.067 0.000 1.006 259 A N 3.287 126.019 122.820 -0.147 0.000 2.425 259 A HA 0.286 4.813 4.320 0.345 0.000 0.242 259 A C 0.280 177.766 177.584 -0.163 0.000 1.077 259 A CA -0.102 51.812 52.037 -0.205 0.000 0.781 259 A CB -0.189 18.659 19.000 -0.253 0.000 1.020 259 A HN 0.519 nan 8.150 nan 0.000 0.494 260 R N 1.960 122.360 120.500 -0.166 0.000 2.680 260 R HA 0.281 4.829 4.340 0.345 0.000 0.278 260 R C -2.986 173.265 176.300 -0.082 0.000 1.582 260 R CA -1.410 54.637 56.100 -0.089 0.000 1.177 260 R CB 1.959 32.241 30.300 -0.030 0.000 1.232 260 R HN 0.589 nan 8.270 nan 0.000 0.528 261 P HA 0.112 nan 4.420 nan 0.000 0.276 261 P C -0.317 176.926 177.300 -0.094 0.000 1.261 261 P CA -0.444 62.536 63.100 -0.200 0.000 0.800 261 P CB 0.648 32.240 31.700 -0.180 0.000 1.066 262 F N -0.341 119.553 119.950 -0.093 0.000 2.595 262 F HA 0.062 4.795 4.527 0.344 0.000 0.359 262 F C 0.790 176.602 175.800 0.020 0.000 1.147 262 F CA 0.836 58.842 58.000 0.010 0.000 1.341 262 F CB -0.024 38.987 39.000 0.020 0.000 1.104 262 F HN -0.051 nan 8.300 nan 0.000 0.603 263 V N 2.131 122.225 119.914 0.300 0.000 2.588 263 V HA 0.695 5.022 4.120 0.345 0.000 0.304 263 V C 0.200 176.365 176.094 0.118 0.000 1.042 263 V CA -0.944 61.448 62.300 0.153 0.000 0.877 263 V CB 1.520 33.361 31.823 0.030 0.000 0.996 263 V HN 0.912 nan 8.190 nan 0.000 0.425 264 G N 2.523 111.407 108.800 0.139 0.000 2.388 264 G HA2 0.677 4.844 3.960 0.345 0.000 0.330 264 G HA3 0.677 4.844 3.960 0.345 0.000 0.330 264 G C -1.217 173.714 174.900 0.051 0.000 1.142 264 G CA -0.550 44.639 45.100 0.148 0.000 0.908 264 G HN 0.596 nan 8.290 nan 0.000 0.473 265 V N 1.621 121.583 119.914 0.081 0.000 2.760 265 V HA 0.429 4.756 4.120 0.345 0.000 0.309 265 V C -0.458 175.743 176.094 0.179 0.000 1.077 265 V CA -0.813 61.533 62.300 0.077 0.000 0.910 265 V CB 1.867 33.720 31.823 0.050 0.000 1.008 265 V HN 0.825 nan 8.190 nan 0.000 0.424 266 Q N 1.635 121.413 119.800 -0.037 0.000 2.274 266 Q HA 0.812 5.359 4.340 0.345 0.000 0.260 266 Q C 0.001 175.649 176.000 -0.587 0.000 0.974 266 Q CA -0.546 55.119 55.803 -0.229 0.000 0.876 266 Q CB 2.661 31.131 28.738 -0.446 0.000 1.297 266 Q HN 0.991 nan 8.270 nan 0.000 0.446 267 G N 0.852 109.402 108.800 -0.416 0.000 2.649 267 G HA2 0.601 4.768 3.960 0.345 0.000 0.290 267 G HA3 0.601 4.768 3.960 0.345 0.000 0.290 267 G C -1.750 172.898 174.900 -0.420 0.000 1.426 267 G CA -0.670 44.023 45.100 -0.680 0.000 0.794 267 G HN 0.376 nan 8.290 nan 0.000 0.483 268 F N 0.080 119.953 119.950 -0.129 0.000 2.399 268 F HA 0.786 5.507 4.527 0.322 0.000 0.334 268 F C 0.765 176.510 175.800 -0.092 0.000 1.097 268 F CA -0.341 57.632 58.000 -0.045 0.000 1.076 268 F CB 2.073 41.064 39.000 -0.015 0.000 1.162 268 F HN 0.038 nan 8.300 nan 0.000 0.495 269 M N 2.228 121.929 119.600 0.168 0.000 2.501 269 M HA 0.506 5.193 4.480 0.345 0.000 0.293 269 M C -1.433 174.925 176.300 0.097 0.000 1.192 269 M CA -0.947 54.432 55.300 0.132 0.000 0.886 269 M CB 2.678 35.363 32.600 0.142 0.000 1.710 269 M HN 0.146 nan 8.290 nan 0.000 0.457 270 V N 2.072 122.049 119.914 0.105 0.000 2.394 270 V HA 0.243 4.570 4.120 0.345 0.000 0.282 270 V C 0.067 176.227 176.094 0.111 0.000 1.031 270 V CA -0.839 61.511 62.300 0.082 0.000 0.881 270 V CB 1.406 33.268 31.823 0.065 0.000 0.982 270 V HN 0.792 nan 8.190 nan 0.000 0.451 271 N N 3.877 122.649 118.700 0.120 0.000 2.417 271 N HA 0.024 4.971 4.740 0.345 0.000 0.272 271 N C 1.086 176.670 175.510 0.123 0.000 1.304 271 N CA 0.628 53.796 53.050 0.196 0.000 0.906 271 N CB 1.520 40.127 38.487 0.200 0.000 1.135 271 N HN 0.821 nan 8.380 nan 0.000 0.483 272 A N 4.844 127.743 122.820 0.131 0.000 2.070 272 A HA -0.100 4.427 4.320 0.345 0.000 0.220 272 A C 1.445 179.059 177.584 0.051 0.000 1.159 272 A CA 1.127 53.220 52.037 0.093 0.000 0.656 272 A CB -0.003 19.059 19.000 0.104 0.000 0.800 272 A HN 0.573 nan 8.150 nan 0.000 0.453 273 K N 0.409 120.829 120.400 0.032 0.000 2.410 273 K HA 0.154 4.681 4.320 0.345 0.000 0.200 273 K C 0.348 176.937 176.600 -0.019 0.000 1.023 273 K CA 0.100 56.383 56.287 -0.006 0.000 1.149 273 K CB -0.229 32.246 32.500 -0.042 0.000 0.859 273 K HN 0.299 nan 8.250 nan 0.000 0.514 274 S N 2.180 117.878 115.700 -0.004 0.000 2.523 274 S HA 0.208 4.886 4.470 0.345 0.000 0.275 274 S C -1.599 172.994 174.600 -0.012 0.000 1.281 274 S CA -1.383 56.806 58.200 -0.017 0.000 1.050 274 S CB 1.012 64.205 63.200 -0.012 0.000 0.937 274 S HN -0.092 nan 8.310 nan 0.000 0.492 275 P HA -0.098 nan 4.420 nan 0.000 0.216 275 P C 0.177 177.473 177.300 -0.006 0.000 1.154 275 P CA 1.264 64.357 63.100 -0.012 0.000 0.865 275 P CB 0.058 31.748 31.700 -0.016 0.000 0.789 276 N N -0.626 118.067 118.700 -0.012 0.000 2.546 276 N HA 0.038 4.985 4.740 0.345 0.000 0.286 276 N C 1.161 176.663 175.510 -0.013 0.000 1.259 276 N CA -0.003 53.041 53.050 -0.010 0.000 0.939 276 N CB 0.147 38.625 38.487 -0.015 0.000 1.243 276 N HN 0.419 nan 8.380 nan 0.000 0.511 277 K N -0.186 120.212 120.400 -0.003 0.000 2.155 277 K HA 0.017 4.545 4.320 0.345 0.000 0.203 277 K C 1.614 178.214 176.600 -0.001 0.000 1.052 277 K CA 0.576 56.864 56.287 0.001 0.000 0.948 277 K CB -0.045 32.466 32.500 0.019 0.000 0.728 277 K HN 0.091 nan 8.250 nan 0.000 0.448 278 L N 0.611 121.837 121.223 0.005 0.000 2.083 278 L HA -0.156 4.391 4.340 0.345 0.000 0.209 278 L C 2.457 179.323 176.870 -0.006 0.000 1.083 278 L CA 0.524 55.368 54.840 0.007 0.000 0.752 278 L CB -0.365 41.706 42.059 0.020 0.000 0.899 278 L HN 0.174 nan 8.230 nan 0.000 0.433 279 L N -0.126 121.091 121.223 -0.009 0.000 2.056 279 L HA -0.097 4.450 4.340 0.345 0.000 0.207 279 L C 2.693 179.519 176.870 -0.074 0.000 1.078 279 L CA 1.913 56.744 54.840 -0.015 0.000 0.749 279 L CB -0.851 41.219 42.059 0.018 0.000 0.901 279 L HN 0.144 nan 8.230 nan 0.000 0.433 280 A N -0.498 122.275 122.820 -0.077 0.000 1.908 280 A HA -0.220 4.307 4.320 0.345 0.000 0.218 280 A C 2.287 179.825 177.584 -0.077 0.000 1.181 280 A CA 2.122 54.103 52.037 -0.094 0.000 0.627 280 A CB -0.814 18.154 19.000 -0.054 0.000 0.818 280 A HN 0.455 nan 8.150 nan 0.000 0.445 281 I N -1.014 119.525 120.570 -0.053 0.000 2.315 281 I HA -0.204 4.173 4.170 0.345 0.000 0.248 281 I C 2.524 178.590 176.117 -0.085 0.000 1.117 281 I CA 1.571 62.836 61.300 -0.058 0.000 1.404 281 I CB -0.219 37.763 38.000 -0.030 0.000 1.071 281 I HN 0.358 nan 8.210 nan 0.000 0.419 282 E N 1.142 121.311 120.200 -0.052 0.000 2.031 282 E HA -0.273 4.284 4.350 0.345 0.000 0.193 282 E C 2.017 178.655 176.600 0.063 0.000 0.994 282 E CA 1.605 58.010 56.400 0.007 0.000 0.800 282 E CB -0.382 29.320 29.700 0.004 0.000 0.752 282 E HN 0.363 nan 8.360 nan 0.000 0.447 283 F N 0.372 120.122 119.950 -0.333 0.000 2.126 283 F HA -0.160 4.570 4.527 0.338 0.000 0.299 283 F C 1.973 177.623 175.800 -0.250 0.000 1.096 283 F CA 1.337 58.979 58.000 -0.597 0.000 1.255 283 F CB -0.599 37.608 39.000 -1.321 0.000 0.997 283 F HN 0.211 nan 8.300 nan 0.000 0.479 284 L N 0.320 121.356 121.223 -0.312 0.000 2.017 284 L HA -0.150 4.397 4.340 0.345 0.000 0.208 284 L C 2.591 179.282 176.870 -0.298 0.000 1.073 284 L CA 2.754 57.381 54.840 -0.355 0.000 0.745 284 L CB -1.428 40.512 42.059 -0.198 0.000 0.894 284 L HN 0.419 nan 8.230 nan 0.000 0.432 285 T N -5.141 109.229 114.554 -0.306 0.000 2.937 285 T HA 0.003 4.560 4.350 0.345 0.000 0.260 285 T C 1.705 176.146 174.700 -0.432 0.000 1.051 285 T CA 1.050 62.804 62.100 -0.577 0.000 1.141 285 T CB -0.464 67.784 68.868 -1.033 0.000 0.879 285 T HN 0.287 nan 8.240 nan 0.000 0.459 286 S N -0.005 115.579 115.700 -0.193 0.000 2.524 286 S HA 0.380 5.058 4.470 0.345 0.000 0.216 286 S C 0.684 175.113 174.600 -0.284 0.000 0.987 286 S CA -0.100 58.008 58.200 -0.153 0.000 0.909 286 S CB -0.180 63.018 63.200 -0.004 0.000 0.781 286 S HN 0.488 nan 8.310 nan 0.000 0.521 287 F N 0.100 119.910 119.950 -0.233 0.000 2.347 287 F HA 0.455 5.187 4.527 0.341 0.000 0.266 287 F C 1.652 177.224 175.800 -0.380 0.000 0.884 287 F CA -0.428 57.411 58.000 -0.268 0.000 1.123 287 F CB -0.378 38.411 39.000 -0.352 0.000 1.098 287 F HN 0.011 nan 8.300 nan 0.000 0.803 288 I N 0.447 120.762 120.570 -0.425 0.000 2.315 288 I HA -0.212 4.165 4.170 0.345 0.000 0.248 288 I C 2.372 178.391 176.117 -0.164 0.000 1.117 288 I CA 1.374 62.403 61.300 -0.452 0.000 1.404 288 I CB -0.489 37.025 38.000 -0.810 0.000 1.071 288 I HN 0.160 nan 8.210 nan 0.000 0.419 289 A N 0.064 122.847 122.820 -0.061 0.000 2.119 289 A HA -0.015 4.512 4.320 0.345 0.000 0.216 289 A C 1.144 178.871 177.584 0.238 0.000 1.152 289 A CA 0.434 52.600 52.037 0.214 0.000 0.708 289 A CB -0.142 19.046 19.000 0.314 0.000 0.805 289 A HN 0.093 nan 8.150 nan 0.000 0.460 290 K N 0.465 120.914 120.400 0.081 0.000 2.469 290 K HA -0.019 4.508 4.320 0.345 0.000 0.274 290 K C 0.985 177.607 176.600 0.037 0.000 0.983 290 K CA 0.182 56.498 56.287 0.048 0.000 0.974 290 K CB 0.666 33.150 32.500 -0.026 0.000 0.913 290 K HN 0.421 nan 8.250 nan 0.000 0.493 291 K N 2.729 123.129 120.400 0.001 0.000 2.044 291 K HA -0.234 4.293 4.320 0.345 0.000 0.210 291 K C 1.628 178.247 176.600 0.031 0.000 1.049 291 K CA 2.096 58.367 56.287 -0.027 0.000 0.927 291 K CB 0.115 32.577 32.500 -0.063 0.000 0.713 291 K HN 0.637 nan 8.250 nan 0.000 0.443 292 E N -0.313 119.904 120.200 0.028 0.000 2.106 292 E HA -0.154 4.404 4.350 0.345 0.000 0.192 292 E C 1.748 178.431 176.600 0.139 0.000 0.984 292 E CA 1.676 58.121 56.400 0.075 0.000 0.806 292 E CB -0.579 29.142 29.700 0.035 0.000 0.750 292 E HN 0.279 nan 8.360 nan 0.000 0.458 293 T N 1.616 116.224 114.554 0.090 0.000 2.737 293 T HA -0.064 4.493 4.350 0.345 0.000 0.265 293 T C 1.967 176.740 174.700 0.123 0.000 1.038 293 T CA 1.506 63.659 62.100 0.088 0.000 1.144 293 T CB -0.108 68.780 68.868 0.033 0.000 0.866 293 T HN 0.087 nan 8.240 nan 0.000 0.434 294 M N 0.243 119.923 119.600 0.133 0.000 2.149 294 M HA -0.075 4.612 4.480 0.345 0.000 0.261 294 M C 2.164 178.591 176.300 0.212 0.000 1.064 294 M CA 1.473 56.875 55.300 0.170 0.000 1.102 294 M CB -1.007 31.664 32.600 0.117 0.000 1.369 294 M HN 0.328 nan 8.290 nan 0.000 0.408 295 Y N 1.302 121.644 120.300 0.071 0.000 2.145 295 Y HA -0.208 4.548 4.550 0.344 0.000 0.286 295 Y C 2.478 178.461 175.900 0.138 0.000 1.145 295 Y CA 1.869 60.021 58.100 0.086 0.000 1.148 295 Y CB -0.282 38.196 38.460 0.030 0.000 0.981 295 Y HN 0.129 nan 8.280 nan 0.000 0.507 296 R N -0.020 120.551 120.500 0.119 0.000 2.096 296 R HA -0.165 4.382 4.340 0.345 0.000 0.235 296 R C 2.320 178.625 176.300 0.009 0.000 1.127 296 R CA 1.877 57.987 56.100 0.017 0.000 0.968 296 R CB -0.568 29.782 30.300 0.083 0.000 0.861 296 R HN 0.422 nan 8.270 nan 0.000 0.440 297 I N -0.175 120.437 120.570 0.070 0.000 2.127 297 I HA -0.360 4.017 4.170 0.345 0.000 0.241 297 I C 2.337 178.487 176.117 0.055 0.000 1.075 297 I CA 1.522 62.863 61.300 0.068 0.000 1.334 297 I CB -0.385 37.688 38.000 0.122 0.000 1.040 297 I HN 0.155 nan 8.210 nan 0.000 0.405 298 Y N 1.587 121.881 120.300 -0.010 0.000 2.114 298 Y HA -0.290 4.466 4.550 0.343 0.000 0.282 298 Y C 2.360 178.199 175.900 -0.100 0.000 1.165 298 Y CA 1.797 59.877 58.100 -0.034 0.000 1.148 298 Y CB -0.295 38.138 38.460 -0.045 0.000 0.972 298 Y HN 0.031 nan 8.280 nan 0.000 0.504 299 L N -0.791 120.396 121.223 -0.059 0.000 2.083 299 L HA -0.174 4.373 4.340 0.345 0.000 0.209 299 L C 2.613 179.393 176.870 -0.151 0.000 1.083 299 L CA 1.264 56.023 54.840 -0.135 0.000 0.752 299 L CB -1.081 40.866 42.059 -0.186 0.000 0.899 299 L HN 0.414 nan 8.230 nan 0.000 0.433 300 G N -1.509 107.221 108.800 -0.117 0.000 2.511 300 G HA2 -0.156 4.011 3.960 0.345 0.000 0.217 300 G HA3 -0.156 4.011 3.960 0.345 0.000 0.217 300 G C 0.020 174.844 174.900 -0.126 0.000 1.133 300 G CA 0.370 45.411 45.100 -0.097 0.000 0.792 300 G HN 0.320 nan 8.290 nan 0.000 0.539 301 D N -0.903 119.393 120.400 -0.174 0.000 2.445 301 D HA 0.240 5.087 4.640 0.345 0.000 0.236 301 D C -2.816 173.299 176.300 -0.307 0.000 1.315 301 D CA -1.548 52.343 54.000 -0.183 0.000 0.924 301 D CB 1.222 41.960 40.800 -0.103 0.000 1.447 301 D HN -0.147 nan 8.370 nan 0.000 0.532 302 P HA 0.092 nan 4.420 nan 0.000 0.235 302 P C -0.361 176.687 177.300 -0.420 0.000 1.670 302 P CA 0.281 62.830 63.100 -0.917 0.000 1.017 302 P CB -0.314 30.988 31.700 -0.662 0.000 1.945 303 R N 0.858 121.233 120.500 -0.207 0.000 2.500 303 R HA 0.372 4.919 4.340 0.345 0.000 0.275 303 R C 0.359 176.765 176.300 0.178 0.000 1.051 303 R CA -1.118 54.978 56.100 -0.005 0.000 1.088 303 R CB 0.651 30.970 30.300 0.032 0.000 1.063 303 R HN 0.225 nan 8.270 nan 0.000 0.511 304 L N 4.254 125.566 121.223 0.148 0.000 2.667 304 L HA 0.019 4.567 4.340 0.345 0.000 0.278 304 L C -1.737 175.266 176.870 0.221 0.000 1.217 304 L CA -1.159 53.797 54.840 0.194 0.000 0.935 304 L CB -0.388 41.724 42.059 0.089 0.000 1.193 304 L HN 0.302 nan 8.230 nan 0.000 0.493 305 P HA 0.052 nan 4.420 nan 0.000 0.274 305 P C 0.296 177.763 177.300 0.277 0.000 1.231 305 P CA -0.466 62.790 63.100 0.261 0.000 0.790 305 P CB 1.130 32.926 31.700 0.161 0.000 0.951 306 S N 1.509 117.363 115.700 0.256 0.000 2.528 306 S HA 0.086 4.763 4.470 0.345 0.000 0.219 306 S C 0.742 175.456 174.600 0.190 0.000 0.985 306 S CA -0.049 58.346 58.200 0.324 0.000 0.914 306 S CB -0.142 63.276 63.200 0.363 0.000 0.776 306 S HN 0.379 nan 8.310 nan 0.000 0.526 307 R N 0.702 121.158 120.500 -0.074 0.000 2.445 307 R HA 0.457 5.004 4.340 0.345 0.000 0.308 307 R C 0.272 176.340 176.300 -0.386 0.000 0.961 307 R CA -0.591 55.246 56.100 -0.437 0.000 0.862 307 R CB 1.167 31.125 30.300 -0.568 0.000 1.144 307 R HN 0.055 nan 8.270 nan 0.000 0.447 308 K N 1.046 121.032 120.400 -0.691 0.000 2.057 308 K HA -0.186 4.341 4.320 0.345 0.000 0.207 308 K C 1.238 177.697 176.600 -0.235 0.000 1.049 308 K CA 2.034 57.983 56.287 -0.564 0.000 0.931 308 K CB 0.060 32.222 32.500 -0.564 0.000 0.714 308 K HN 0.620 nan 8.250 nan 0.000 0.440 309 D N 0.048 120.308 120.400 -0.233 0.000 2.269 309 D HA -0.107 4.740 4.640 0.345 0.000 0.208 309 D C 1.618 177.844 176.300 -0.124 0.000 0.963 309 D CA 0.698 54.604 54.000 -0.156 0.000 0.864 309 D CB -0.364 40.344 40.800 -0.153 0.000 0.936 309 D HN -0.006 nan 8.370 nan 0.000 0.505 310 V N 0.482 120.324 119.914 -0.119 0.000 2.453 310 V HA -0.135 4.192 4.120 0.345 0.000 0.247 310 V C 2.476 178.534 176.094 -0.060 0.000 1.048 310 V CA 1.055 63.326 62.300 -0.047 0.000 1.049 310 V CB -0.560 31.257 31.823 -0.010 0.000 0.672 310 V HN 0.174 nan 8.190 nan 0.000 0.457 311 L N 0.472 121.669 121.223 -0.045 0.000 2.042 311 L HA -0.161 4.387 4.340 0.345 0.000 0.210 311 L C 2.509 179.361 176.870 -0.030 0.000 1.076 311 L CA 1.964 56.791 54.840 -0.022 0.000 0.749 311 L CB -0.769 41.358 42.059 0.114 0.000 0.893 311 L HN 0.269 nan 8.230 nan 0.000 0.432 312 E N -0.021 120.162 120.200 -0.029 0.000 2.130 312 E HA -0.227 4.330 4.350 0.345 0.000 0.196 312 E C 2.261 178.839 176.600 -0.036 0.000 0.998 312 E CA 1.635 58.016 56.400 -0.031 0.000 0.806 312 E CB -0.503 29.170 29.700 -0.046 0.000 0.738 312 E HN 0.569 nan 8.360 nan 0.000 0.459 313 L N 0.506 121.702 121.223 -0.046 0.000 2.376 313 L HA -0.054 4.493 4.340 0.345 0.000 0.219 313 L C 1.967 178.876 176.870 0.065 0.000 1.133 313 L CA 0.514 55.337 54.840 -0.029 0.000 0.816 313 L CB -0.005 41.974 42.059 -0.135 0.000 0.933 313 L HN 0.023 nan 8.230 nan 0.000 0.449 314 V N -4.003 115.906 119.914 -0.008 0.000 3.346 314 V HA 0.072 4.399 4.120 0.345 0.000 0.309 314 V C 1.745 177.825 176.094 -0.024 0.000 1.457 314 V CA -0.142 62.127 62.300 -0.052 0.000 1.069 314 V CB -0.167 31.415 31.823 -0.402 0.000 0.944 314 V HN 0.417 nan 8.190 nan 0.000 0.449 315 K N 1.823 122.220 120.400 -0.005 0.000 2.515 315 K HA -0.144 4.383 4.320 0.345 0.000 0.196 315 K C 1.393 178.012 176.600 0.031 0.000 1.038 315 K CA 1.562 57.858 56.287 0.014 0.000 0.967 315 K CB -0.385 32.122 32.500 0.012 0.000 0.780 315 K HN 0.635 nan 8.250 nan 0.000 0.483 316 D N 0.850 121.272 120.400 0.037 0.000 2.277 316 D HA -0.179 4.668 4.640 0.345 0.000 0.208 316 D C 0.083 176.414 176.300 0.051 0.000 0.962 316 D CA 0.276 54.300 54.000 0.040 0.000 0.865 316 D CB -0.463 40.362 40.800 0.041 0.000 0.939 316 D HN 0.144 nan 8.370 nan 0.000 0.510 317 N N 2.087 120.830 118.700 0.073 0.000 2.416 317 N HA 0.014 4.961 4.740 0.345 0.000 0.265 317 N C -1.580 173.979 175.510 0.082 0.000 1.195 317 N CA -1.524 51.581 53.050 0.093 0.000 0.943 317 N CB 1.439 40.014 38.487 0.147 0.000 1.115 317 N HN -0.045 nan 8.380 nan 0.000 0.481 318 P HA -0.021 nan 4.420 nan 0.000 0.222 318 P C 0.206 177.536 177.300 0.050 0.000 1.153 318 P CA 0.759 63.884 63.100 0.042 0.000 0.798 318 P CB 0.559 32.268 31.700 0.015 0.000 0.796 319 D N 0.082 120.540 120.400 0.095 0.000 2.117 319 D HA -0.109 4.738 4.640 0.345 0.000 0.198 319 D C 2.072 178.496 176.300 0.207 0.000 0.982 319 D CA 0.761 54.840 54.000 0.131 0.000 0.828 319 D CB -1.068 39.904 40.800 0.288 0.000 0.967 319 D HN -0.019 nan 8.370 nan 0.000 0.464 320 V N 0.545 120.602 119.914 0.238 0.000 2.515 320 V HA -0.184 4.143 4.120 0.345 0.000 0.250 320 V C 2.280 178.478 176.094 0.174 0.000 1.058 320 V CA 1.151 63.610 62.300 0.265 0.000 1.064 320 V CB -0.114 31.859 31.823 0.249 0.000 0.675 320 V HN 0.007 nan 8.190 nan 0.000 0.461 321 V N 0.709 120.684 119.914 0.102 0.000 2.427 321 V HA -0.107 4.221 4.120 0.345 0.000 0.248 321 V C 2.637 178.749 176.094 0.031 0.000 1.051 321 V CA 2.042 64.378 62.300 0.060 0.000 1.048 321 V CB -1.281 30.567 31.823 0.041 0.000 0.666 321 V HN 0.632 nan 8.190 nan 0.000 0.456 322 G N -0.740 108.050 108.800 -0.016 0.000 2.414 322 G HA2 -0.202 3.965 3.960 0.345 0.000 0.215 322 G HA3 -0.202 3.965 3.960 0.345 0.000 0.215 322 G C 1.434 176.270 174.900 -0.106 0.000 1.188 322 G CA 0.683 45.719 45.100 -0.107 0.000 0.783 322 G HN 0.421 nan 8.290 nan 0.000 0.537 323 F N 1.532 121.484 119.950 0.003 0.000 2.134 323 F HA -0.021 4.714 4.527 0.347 0.000 0.299 323 F C 3.118 178.886 175.800 -0.053 0.000 1.097 323 F CA 1.629 59.612 58.000 -0.027 0.000 1.264 323 F CB -0.888 38.097 39.000 -0.026 0.000 1.001 323 F HN 0.039 nan 8.300 nan 0.000 0.479 324 T N 0.303 114.947 114.554 0.150 0.000 2.777 324 T HA -0.128 4.429 4.350 0.345 0.000 0.266 324 T C 2.009 176.632 174.700 -0.128 0.000 1.040 324 T CA 0.936 63.028 62.100 -0.015 0.000 1.141 324 T CB -0.436 68.436 68.868 0.007 0.000 0.868 324 T HN -0.036 nan 8.240 nan 0.000 0.444 325 L N 1.297 122.487 121.223 -0.055 0.000 2.042 325 L HA -0.066 4.481 4.340 0.345 0.000 0.210 325 L C 2.732 179.559 176.870 -0.072 0.000 1.076 325 L CA 1.453 56.256 54.840 -0.062 0.000 0.749 325 L CB -1.330 40.715 42.059 -0.023 0.000 0.893 325 L HN 0.240 nan 8.230 nan 0.000 0.432 326 S N -1.012 114.663 115.700 -0.042 0.000 2.355 326 S HA -0.156 4.521 4.470 0.345 0.000 0.222 326 S C 2.182 176.750 174.600 -0.053 0.000 1.031 326 S CA 1.171 59.349 58.200 -0.037 0.000 0.993 326 S CB -0.212 62.990 63.200 0.003 0.000 0.859 326 S HN 0.429 nan 8.310 nan 0.000 0.453 327 A N 1.483 124.272 122.820 -0.052 0.000 1.902 327 A HA 0.164 4.691 4.320 0.345 0.000 0.217 327 A C 2.464 179.960 177.584 -0.148 0.000 1.181 327 A CA 1.912 53.902 52.037 -0.078 0.000 0.623 327 A CB -1.424 17.534 19.000 -0.071 0.000 0.818 327 A HN 0.807 nan 8.150 nan 0.000 0.443 328 A N 0.016 122.677 122.820 -0.265 0.000 1.978 328 A HA -0.190 4.338 4.320 0.345 0.000 0.220 328 A C 1.730 179.261 177.584 -0.089 0.000 1.170 328 A CA 1.802 53.678 52.037 -0.270 0.000 0.636 328 A CB -0.529 18.248 19.000 -0.371 0.000 0.810 328 A HN 0.528 nan 8.150 nan 0.000 0.448 329 N N -0.043 118.610 118.700 -0.079 0.000 2.398 329 N HA 0.078 5.025 4.740 0.345 0.000 0.188 329 N C 0.885 176.358 175.510 -0.061 0.000 1.122 329 N CA 0.760 53.777 53.050 -0.055 0.000 0.866 329 N CB -0.037 38.415 38.487 -0.058 0.000 0.970 329 N HN 0.451 nan 8.380 nan 0.000 0.462 330 G N 0.107 108.870 108.800 -0.063 0.000 2.547 330 G HA2 0.488 4.655 3.960 0.345 0.000 0.291 330 G HA3 0.488 4.655 3.960 0.345 0.000 0.291 330 G C -0.339 174.517 174.900 -0.074 0.000 1.211 330 G CA -0.339 44.727 45.100 -0.057 0.000 0.950 330 G HN -0.008 nan 8.290 nan 0.000 0.504 331 I N 1.122 121.633 120.570 -0.098 0.000 2.406 331 I HA 0.297 4.674 4.170 0.345 0.000 0.290 331 I C -2.293 173.820 176.117 -0.007 0.000 0.999 331 I CA -2.576 58.617 61.300 -0.180 0.000 1.124 331 I CB 1.712 39.355 38.000 -0.595 0.000 1.289 331 I HN 0.170 nan 8.210 nan 0.000 0.441 332 P HA 0.157 nan 4.420 nan 0.000 0.268 332 P C -0.181 177.289 177.300 0.284 0.000 1.204 332 P CA -0.206 62.916 63.100 0.038 0.000 0.768 332 P CB 0.409 32.067 31.700 -0.070 0.000 0.842 333 M N 5.211 125.067 119.600 0.427 0.000 2.327 333 M HA 0.058 4.745 4.480 0.345 0.000 0.353 333 M C -1.917 174.618 176.300 0.393 0.000 1.539 333 M CA -1.098 54.429 55.300 0.378 0.000 1.039 333 M CB -0.468 32.275 32.600 0.239 0.000 1.967 333 M HN 0.147 nan 8.290 nan 0.000 0.459 334 P HA -0.070 nan 4.420 nan 0.000 0.260 334 P C -0.395 177.052 177.300 0.244 0.000 1.172 334 P CA 0.322 63.604 63.100 0.303 0.000 0.760 334 P CB 0.155 32.096 31.700 0.401 0.000 0.773 335 N N 2.263 121.086 118.700 0.205 0.000 2.410 335 N HA 0.089 5.036 4.740 0.345 0.000 0.231 335 N C -0.292 175.279 175.510 0.103 0.000 1.172 335 N CA -0.356 52.743 53.050 0.082 0.000 0.849 335 N CB -0.562 37.953 38.487 0.046 0.000 1.116 335 N HN 0.137 nan 8.380 nan 0.000 0.485 336 V N -4.419 115.584 119.914 0.148 0.000 2.815 336 V HA 0.586 4.913 4.120 0.345 0.000 0.314 336 V C -1.687 174.468 176.094 0.102 0.000 1.064 336 V CA -1.902 60.465 62.300 0.112 0.000 0.952 336 V CB 1.944 33.821 31.823 0.090 0.000 1.020 336 V HN -0.190 nan 8.190 nan 0.000 0.439 337 P HA -0.150 nan 4.420 nan 0.000 0.218 337 P C 1.235 178.590 177.300 0.092 0.000 1.148 337 P CA 1.364 64.501 63.100 0.062 0.000 0.822 337 P CB 0.251 31.965 31.700 0.023 0.000 0.784 338 Q N -1.185 118.654 119.800 0.065 0.000 2.368 338 Q HA -0.111 4.436 4.340 0.345 0.000 0.210 338 Q C 2.121 178.302 176.000 0.301 0.000 0.982 338 Q CA 1.098 56.965 55.803 0.107 0.000 0.884 338 Q CB -0.812 27.871 28.738 -0.090 0.000 0.933 338 Q HN 0.146 nan 8.270 nan 0.000 0.460 339 M N 0.048 119.844 119.600 0.328 0.000 2.279 339 M HA -0.035 4.652 4.480 0.345 0.000 0.264 339 M C 1.736 178.141 176.300 0.174 0.000 1.062 339 M CA 1.336 56.799 55.300 0.272 0.000 1.099 339 M CB -0.454 32.289 32.600 0.238 0.000 1.394 339 M HN 0.210 nan 8.290 nan 0.000 0.426 340 A N -0.376 122.579 122.820 0.225 0.000 1.940 340 A HA -0.019 4.508 4.320 0.345 0.000 0.219 340 A C 2.311 180.042 177.584 0.245 0.000 1.176 340 A CA 1.974 54.168 52.037 0.263 0.000 0.631 340 A CB -1.264 17.840 19.000 0.173 0.000 0.814 340 A HN 0.606 nan 8.150 nan 0.000 0.446 341 A N -0.848 122.072 122.820 0.166 0.000 2.067 341 A HA 0.183 4.710 4.320 0.345 0.000 0.217 341 A C 2.096 179.737 177.584 0.094 0.000 1.156 341 A CA 1.294 53.408 52.037 0.128 0.000 0.683 341 A CB -0.541 18.521 19.000 0.103 0.000 0.808 341 A HN 0.333 nan 8.150 nan 0.000 0.455 342 V N -1.817 118.115 119.914 0.029 0.000 2.358 342 V HA -0.278 4.049 4.120 0.345 0.000 0.246 342 V C 2.224 178.279 176.094 -0.064 0.000 1.047 342 V CA 1.703 63.938 62.300 -0.109 0.000 1.035 342 V CB -1.123 30.542 31.823 -0.264 0.000 0.658 342 V HN 0.813 nan 8.190 nan 0.000 0.452 343 W N 0.371 121.762 121.300 0.152 0.000 2.335 343 W HA -0.167 4.697 4.660 0.340 0.000 0.311 343 W C 2.675 179.269 176.519 0.125 0.000 1.213 343 W CA 1.508 58.976 57.345 0.206 0.000 1.274 343 W CB -0.746 28.806 29.460 0.154 0.000 1.148 343 W HN 0.178 nan 8.180 nan 0.000 0.498 344 A N 0.460 123.460 122.820 0.299 0.000 1.855 344 A HA -0.030 4.497 4.320 0.345 0.000 0.215 344 A C 2.072 179.720 177.584 0.107 0.000 1.191 344 A CA 2.327 54.473 52.037 0.183 0.000 0.613 344 A CB -1.403 17.678 19.000 0.136 0.000 0.829 344 A HN 0.197 nan 8.150 nan 0.000 0.442 345 A N -1.086 121.768 122.820 0.056 0.000 1.940 345 A HA -0.135 4.392 4.320 0.345 0.000 0.219 345 A C 2.172 179.723 177.584 -0.055 0.000 1.176 345 A CA 2.041 54.076 52.037 -0.003 0.000 0.631 345 A CB -0.450 18.534 19.000 -0.027 0.000 0.814 345 A HN 0.434 nan 8.150 nan 0.000 0.446 346 M N -0.207 119.321 119.600 -0.120 0.000 2.193 346 M HA -0.044 4.644 4.480 0.345 0.000 0.265 346 M C 1.621 177.912 176.300 -0.015 0.000 1.071 346 M CA 1.032 56.182 55.300 -0.250 0.000 1.140 346 M CB -1.577 30.496 32.600 -0.878 0.000 1.369 346 M HN 0.375 nan 8.290 nan 0.000 0.423 347 N N 1.207 119.988 118.700 0.135 0.000 2.149 347 N HA -0.158 4.789 4.740 0.345 0.000 0.188 347 N C 1.246 176.822 175.510 0.110 0.000 1.019 347 N CA 1.337 54.500 53.050 0.189 0.000 0.857 347 N CB -0.390 38.233 38.487 0.226 0.000 0.997 347 N HN 0.317 nan 8.380 nan 0.000 0.426 348 D N 0.477 120.920 120.400 0.072 0.000 2.123 348 D HA 0.027 4.874 4.640 0.345 0.000 0.200 348 D C 1.858 178.176 176.300 0.031 0.000 0.976 348 D CA 0.968 54.998 54.000 0.049 0.000 0.831 348 D CB -0.366 40.457 40.800 0.037 0.000 0.974 348 D HN 0.195 nan 8.370 nan 0.000 0.469 349 A N 0.824 123.649 122.820 0.009 0.000 1.883 349 A HA -0.158 4.369 4.320 0.345 0.000 0.217 349 A C 2.360 179.954 177.584 0.016 0.000 1.186 349 A CA 1.132 53.166 52.037 -0.005 0.000 0.624 349 A CB -0.842 18.132 19.000 -0.045 0.000 0.822 349 A HN 0.223 nan 8.150 nan 0.000 0.444 350 L N -0.321 120.926 121.223 0.041 0.000 2.109 350 L HA -0.166 4.382 4.340 0.345 0.000 0.207 350 L C 2.600 179.509 176.870 0.066 0.000 1.086 350 L CA 1.264 56.145 54.840 0.068 0.000 0.760 350 L CB -0.694 41.440 42.059 0.124 0.000 0.910 350 L HN 0.549 nan 8.230 nan 0.000 0.437 351 N N 1.083 119.824 118.700 0.068 0.000 2.104 351 N HA -0.203 4.744 4.740 0.345 0.000 0.190 351 N C 1.926 177.459 175.510 0.039 0.000 1.024 351 N CA 1.556 54.640 53.050 0.057 0.000 0.853 351 N CB -0.013 38.508 38.487 0.057 0.000 1.008 351 N HN 0.321 nan 8.380 nan 0.000 0.424 352 L N 0.374 121.615 121.223 0.031 0.000 2.141 352 L HA -0.098 4.449 4.340 0.345 0.000 0.209 352 L C 2.502 179.383 176.870 0.018 0.000 1.094 352 L CA 0.500 55.353 54.840 0.021 0.000 0.763 352 L CB -0.300 41.768 42.059 0.014 0.000 0.908 352 L HN -0.008 nan 8.230 nan 0.000 0.437 353 V N 0.001 119.927 119.914 0.020 0.000 2.270 353 V HA -0.218 4.109 4.120 0.345 0.000 0.245 353 V C 2.427 178.533 176.094 0.020 0.000 1.043 353 V CA 1.840 64.150 62.300 0.017 0.000 1.014 353 V CB -0.234 31.601 31.823 0.019 0.000 0.645 353 V HN 0.443 nan 8.190 nan 0.000 0.447 354 V N -1.633 118.298 119.914 0.029 0.000 3.141 354 V HA 0.005 4.332 4.120 0.345 0.000 0.265 354 V C 1.468 177.575 176.094 0.022 0.000 1.126 354 V CA 1.799 64.116 62.300 0.028 0.000 1.141 354 V CB -0.834 31.013 31.823 0.039 0.000 0.743 354 V HN 0.566 nan 8.190 nan 0.000 0.492 355 N N 0.927 119.639 118.700 0.021 0.000 2.230 355 N HA 0.225 5.172 4.740 0.345 0.000 0.202 355 N C 1.460 176.977 175.510 0.012 0.000 1.119 355 N CA 0.847 53.907 53.050 0.017 0.000 0.851 355 N CB 0.958 39.456 38.487 0.019 0.000 0.990 355 N HN 0.750 nan 8.380 nan 0.000 0.497 356 G N 1.583 110.389 108.800 0.011 0.000 2.198 356 G HA2 -0.335 3.832 3.960 0.345 0.000 0.260 356 G HA3 -0.335 3.832 3.960 0.345 0.000 0.260 356 G C 0.961 175.865 174.900 0.006 0.000 1.025 356 G CA 0.783 45.887 45.100 0.007 0.000 0.769 356 G HN 0.352 nan 8.290 nan 0.000 0.507 357 K N -0.448 119.957 120.400 0.007 0.000 2.214 357 K HA 0.559 5.086 4.320 0.345 0.000 0.201 357 K C 1.299 177.901 176.600 0.004 0.000 1.049 357 K CA 1.143 57.434 56.287 0.006 0.000 0.978 357 K CB 0.432 32.938 32.500 0.009 0.000 0.842 357 K HN 0.709 nan 8.250 nan 0.000 0.474 358 A N 0.955 123.777 122.820 0.003 0.000 2.435 358 A HA 0.455 4.982 4.320 0.345 0.000 0.304 358 A C -0.310 177.273 177.584 -0.002 0.000 1.064 358 A CA -0.788 51.249 52.037 -0.000 0.000 0.727 358 A CB 0.966 19.966 19.000 -0.000 0.000 1.284 358 A HN 0.179 nan 8.150 nan 0.000 0.415 359 T N -0.768 113.782 114.554 -0.006 0.000 2.828 359 T HA 0.372 4.929 4.350 0.345 0.000 0.290 359 T C 1.282 175.975 174.700 -0.011 0.000 1.019 359 T CA 0.058 62.153 62.100 -0.008 0.000 1.031 359 T CB 0.651 69.513 68.868 -0.011 0.000 1.001 359 T HN 0.600 nan 8.240 nan 0.000 0.531 360 V N 1.645 121.550 119.914 -0.014 0.000 2.287 360 V HA -0.160 4.167 4.120 0.345 0.000 0.248 360 V C 2.796 178.876 176.094 -0.023 0.000 1.053 360 V CA 2.263 64.553 62.300 -0.017 0.000 1.027 360 V CB -1.113 30.697 31.823 -0.021 0.000 0.646 360 V HN 0.913 nan 8.190 nan 0.000 0.447 361 E N -0.282 119.904 120.200 -0.024 0.000 2.077 361 E HA -0.183 4.374 4.350 0.345 0.000 0.193 361 E C 2.330 178.915 176.600 -0.024 0.000 0.989 361 E CA 1.248 57.632 56.400 -0.026 0.000 0.800 361 E CB -0.187 29.500 29.700 -0.023 0.000 0.746 361 E HN 0.539 nan 8.360 nan 0.000 0.452 362 E N 0.018 120.206 120.200 -0.019 0.000 2.076 362 E HA -0.017 4.540 4.350 0.345 0.000 0.190 362 E C 2.091 178.680 176.600 -0.019 0.000 0.979 362 E CA 0.961 57.351 56.400 -0.016 0.000 0.807 362 E CB -0.350 29.343 29.700 -0.011 0.000 0.761 362 E HN 0.246 nan 8.360 nan 0.000 0.454 363 A N 1.433 124.242 122.820 -0.019 0.000 1.908 363 A HA -0.151 4.376 4.320 0.345 0.000 0.218 363 A C 2.361 179.924 177.584 -0.035 0.000 1.181 363 A CA 1.243 53.268 52.037 -0.021 0.000 0.627 363 A CB -0.700 18.292 19.000 -0.014 0.000 0.818 363 A HN 0.175 nan 8.150 nan 0.000 0.445 364 L N -1.111 120.086 121.223 -0.042 0.000 2.131 364 L HA -0.102 4.445 4.340 0.345 0.000 0.206 364 L C 2.449 179.284 176.870 -0.058 0.000 1.087 364 L CA 0.910 55.713 54.840 -0.063 0.000 0.767 364 L CB -0.448 41.572 42.059 -0.066 0.000 0.917 364 L HN 0.208 nan 8.230 nan 0.000 0.441 365 K N 0.373 120.747 120.400 -0.042 0.000 2.103 365 K HA -0.121 4.406 4.320 0.345 0.000 0.207 365 K C 1.777 178.360 176.600 -0.029 0.000 1.048 365 K CA 1.151 57.418 56.287 -0.033 0.000 0.930 365 K CB -0.458 32.028 32.500 -0.023 0.000 0.716 365 K HN 0.329 nan 8.250 nan 0.000 0.444 366 N N 0.856 119.540 118.700 -0.027 0.000 2.300 366 N HA -0.056 4.892 4.740 0.345 0.000 0.179 366 N C 1.722 177.216 175.510 -0.027 0.000 1.016 366 N CA 1.087 54.125 53.050 -0.020 0.000 0.876 366 N CB -0.261 38.217 38.487 -0.015 0.000 0.979 366 N HN 0.148 nan 8.380 nan 0.000 0.432 367 A N 0.792 123.586 122.820 -0.044 0.000 1.883 367 A HA -0.098 4.429 4.320 0.345 0.000 0.217 367 A C 2.416 179.964 177.584 -0.059 0.000 1.186 367 A CA 1.450 53.449 52.037 -0.063 0.000 0.624 367 A CB -0.831 18.105 19.000 -0.107 0.000 0.822 367 A HN 0.099 nan 8.150 nan 0.000 0.444 368 V N -0.016 119.862 119.914 -0.059 0.000 2.427 368 V HA -0.243 4.084 4.120 0.345 0.000 0.248 368 V C 2.357 178.444 176.094 -0.010 0.000 1.051 368 V CA 2.185 64.460 62.300 -0.042 0.000 1.048 368 V CB -0.841 30.954 31.823 -0.046 0.000 0.666 368 V HN 0.633 nan 8.190 nan 0.000 0.456 369 E N -0.034 120.160 120.200 -0.009 0.000 2.110 369 E HA -0.248 4.309 4.350 0.345 0.000 0.193 369 E C 2.432 179.037 176.600 0.008 0.000 0.988 369 E CA 1.282 57.684 56.400 0.003 0.000 0.804 369 E CB -0.188 29.512 29.700 -0.000 0.000 0.745 369 E HN 0.480 nan 8.360 nan 0.000 0.458 370 R N 0.807 121.309 120.500 0.003 0.000 2.090 370 R HA -0.091 4.456 4.340 0.345 0.000 0.228 370 R C 2.121 178.433 176.300 0.020 0.000 1.110 370 R CA 0.941 57.047 56.100 0.010 0.000 0.973 370 R CB -0.068 30.235 30.300 0.004 0.000 0.869 370 R HN 0.141 nan 8.270 nan 0.000 0.440 371 I N 0.840 121.420 120.570 0.017 0.000 2.233 371 I HA -0.209 4.168 4.170 0.345 0.000 0.243 371 I C 2.188 178.345 176.117 0.066 0.000 1.093 371 I CA 1.291 62.615 61.300 0.041 0.000 1.380 371 I CB -0.154 37.860 38.000 0.023 0.000 1.067 371 I HN 0.118 nan 8.210 nan 0.000 0.413 372 K N 0.838 121.273 120.400 0.058 0.000 2.152 372 K HA -0.152 4.375 4.320 0.345 0.000 0.206 372 K C 2.130 178.758 176.600 0.046 0.000 1.048 372 K CA 1.485 57.809 56.287 0.062 0.000 0.933 372 K CB -0.196 32.334 32.500 0.050 0.000 0.721 372 K HN 0.338 nan 8.250 nan 0.000 0.447 373 A N 0.709 123.551 122.820 0.036 0.000 1.930 373 A HA -0.136 4.391 4.320 0.345 0.000 0.215 373 A C 1.963 179.567 177.584 0.032 0.000 1.176 373 A CA 0.929 52.983 52.037 0.029 0.000 0.632 373 A CB -0.192 18.822 19.000 0.023 0.000 0.819 373 A HN 0.239 nan 8.150 nan 0.000 0.445 374 Q N -0.725 119.099 119.800 0.040 0.000 2.311 374 Q HA 0.155 4.702 4.340 0.345 0.000 0.203 374 Q C 1.350 177.379 176.000 0.048 0.000 0.954 374 Q CA 0.562 56.391 55.803 0.044 0.000 0.885 374 Q CB -0.112 28.657 28.738 0.051 0.000 0.963 374 Q HN 0.696 nan 8.270 nan 0.000 0.471 375 I N 0.647 121.249 120.570 0.054 0.000 3.444 375 I HA -0.105 4.273 4.170 0.345 0.000 0.287 375 I C 0.385 176.517 176.117 0.025 0.000 1.302 375 I CA 0.423 61.751 61.300 0.047 0.000 1.368 375 I CB 0.124 38.161 38.000 0.062 0.000 1.048 375 I HN 0.248 nan 8.210 nan 0.000 0.487 376 Q N 0.000 119.815 119.800 0.025 0.000 2.315 376 Q HA 0.000 4.547 4.340 0.345 0.000 0.214 376 Q CA 0.000 55.813 55.803 0.017 0.000 1.022 376 Q CB 0.000 28.748 28.738 0.017 0.000 1.108 376 Q HN 0.000 nan 8.270 nan 0.000 0.481