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 1eyy_1_A DATA FIRST_RESID 5 DATA SEQUENCE TDNVFYATNA FTGEALPLAF PVHTEVEVNQ AATAAAKVAR DFRRLNNSKR DATA SEQUENCE ASLLRTIASE LEARSDDIIA RAHLETALPE VRLTGEIART ANQLRLFADV DATA SEQUENCE VNSGSYHQAI LDTPNPTRAP LPKPDIRRQQ IALGPVAVFG ASNFPLAFSA DATA SEQUENCE AGGDTASALA AGCPVIVKGH TAHPGTSQIV AECIEQALKQ EQLPQAIFTL DATA SEQUENCE LQGNQRALGQ ALVSHPEIKA VGFTGSVGGG RALFNLAHER PEPIPFYGEL DATA SEQUENCE GAINPTFIFP SAMRAKADLA DQFVASMTMG CGQFCTKPGV VFALNTPETQ DATA SEQUENCE AFIETAQSLI RQQSPSTLLT PGIRDSYQSQ VVSRGSDDGI DVTFSQAESP DATA SEQUENCE CVASALFVTS SENWRKHPAW EEEIFGPQSL IVVCENVADM LSLSEMLAGS DATA SEQUENCE LTATIHATEE DYPQVSQLIP RLEEIAGRLV FNGWPTGVEV GYAMVHGGPY DATA SEQUENCE PASTHSASTS VGAEAIHRWL RPVAYQALPE SLLPDSLKAE NPLEIARAVD DATA SEQUENCE GKAA 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 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.719 174.700 0.032 0.000 1.109 5 T CA 0.000 62.130 62.100 0.049 0.000 1.349 5 T CB 0.000 68.904 68.868 0.061 0.000 0.612 6 D N 1.048 121.468 120.400 0.033 0.000 2.149 6 D HA 0.010 4.650 4.640 0.000 0.000 0.198 6 D C 0.657 176.974 176.300 0.029 0.000 0.990 6 D CA 1.566 55.583 54.000 0.028 0.000 0.839 6 D CB 0.017 40.834 40.800 0.028 0.000 0.948 6 D HN 0.523 nan 8.370 nan 0.000 0.460 7 N N -0.873 117.847 118.700 0.033 0.000 2.509 7 N HA 0.484 5.224 4.740 0.000 0.000 0.280 7 N C -0.650 174.886 175.510 0.044 0.000 1.306 7 N CA -0.580 52.495 53.050 0.042 0.000 0.782 7 N CB 3.042 41.559 38.487 0.049 0.000 1.493 7 N HN -0.083 nan 8.380 nan 0.000 0.498 8 V N -2.107 117.840 119.914 0.056 0.000 3.160 8 V HA 0.885 5.005 4.120 0.000 0.000 0.310 8 V C -1.256 174.919 176.094 0.135 0.000 1.181 8 V CA -0.879 61.437 62.300 0.027 0.000 1.047 8 V CB 1.892 33.623 31.823 -0.153 0.000 1.068 8 V HN 0.689 nan 8.190 nan 0.000 0.441 9 F N -0.677 119.159 119.950 -0.191 0.000 2.662 9 F HA 0.910 5.438 4.527 0.000 0.000 0.312 9 F C -1.931 173.747 175.800 -0.202 0.000 1.113 9 F CA -1.542 56.408 58.000 -0.083 0.000 0.951 9 F CB 1.284 40.298 39.000 0.025 0.000 1.344 9 F HN 0.585 nan 8.300 nan 0.000 0.462 10 Y N 1.208 121.556 120.300 0.080 0.000 2.524 10 Y HA 0.764 5.314 4.550 0.000 0.000 0.344 10 Y C 0.390 176.375 175.900 0.142 0.000 1.012 10 Y CA -1.061 57.048 58.100 0.015 0.000 1.068 10 Y CB 1.878 40.352 38.460 0.023 0.000 1.249 10 Y HN 1.019 nan 8.280 nan 0.000 0.468 11 A N 0.840 123.850 122.820 0.318 0.000 2.351 11 A HA 0.538 4.858 4.320 0.000 0.000 0.257 11 A C -0.229 177.482 177.584 0.212 0.000 1.087 11 A CA -0.305 51.877 52.037 0.242 0.000 0.798 11 A CB -0.041 19.086 19.000 0.212 0.000 1.033 11 A HN 0.692 nan 8.150 nan 0.000 0.488 12 T N 2.583 117.233 114.554 0.159 0.000 2.767 12 T HA 0.191 4.541 4.350 0.000 0.000 0.284 12 T C 0.349 175.092 174.700 0.071 0.000 0.973 12 T CA -0.506 61.661 62.100 0.112 0.000 0.996 12 T CB 0.367 69.292 68.868 0.096 0.000 0.927 12 T HN 0.674 nan 8.240 nan 0.000 0.456 13 N N 2.313 121.053 118.700 0.067 0.000 2.434 13 N HA 0.043 4.783 4.740 0.000 0.000 0.268 13 N C 1.207 176.716 175.510 -0.001 0.000 1.256 13 N CA -0.169 52.916 53.050 0.057 0.000 0.914 13 N CB 0.945 39.485 38.487 0.088 0.000 1.088 13 N HN 0.736 nan 8.380 nan 0.000 0.478 14 A N 4.291 127.041 122.820 -0.117 0.000 2.070 14 A HA -0.110 4.210 4.320 0.000 0.000 0.220 14 A C 1.390 178.776 177.584 -0.329 0.000 1.159 14 A CA 1.060 52.927 52.037 -0.282 0.000 0.656 14 A CB -0.394 18.310 19.000 -0.493 0.000 0.800 14 A HN 0.698 nan 8.150 nan 0.000 0.453 15 F N -0.376 119.544 119.950 -0.050 0.000 2.619 15 F HA 0.043 4.570 4.527 0.000 0.000 0.293 15 F C 2.510 178.297 175.800 -0.021 0.000 1.119 15 F CA 1.491 59.465 58.000 -0.043 0.000 1.445 15 F CB 0.022 38.987 39.000 -0.058 0.000 1.119 15 F HN 0.324 nan 8.300 nan 0.000 0.573 16 T N -5.178 109.467 114.554 0.152 0.000 2.955 16 T HA 0.446 4.796 4.350 0.000 0.000 0.251 16 T C 1.798 176.531 174.700 0.056 0.000 1.002 16 T CA 0.580 62.735 62.100 0.093 0.000 0.970 16 T CB 0.503 69.419 68.868 0.080 0.000 1.091 16 T HN 0.307 nan 8.240 nan 0.000 0.495 17 G N 1.264 110.092 108.800 0.046 0.000 2.199 17 G HA2 -0.228 3.732 3.960 0.000 0.000 0.254 17 G HA3 -0.228 3.732 3.960 0.000 0.000 0.254 17 G C -0.119 174.806 174.900 0.041 0.000 0.982 17 G CA 0.257 45.380 45.100 0.038 0.000 0.632 17 G HN 0.676 nan 8.290 nan 0.000 0.529 18 E N 0.356 120.580 120.200 0.040 0.000 2.312 18 E HA 0.654 5.004 4.350 0.000 0.000 0.259 18 E C 0.782 177.405 176.600 0.037 0.000 1.122 18 E CA -0.197 56.221 56.400 0.029 0.000 0.922 18 E CB 1.019 30.728 29.700 0.016 0.000 1.109 18 E HN 0.639 nan 8.360 nan 0.000 0.442 19 A N 1.635 124.463 122.820 0.013 0.000 2.407 19 A HA 0.304 4.624 4.320 0.000 0.000 0.248 19 A C -0.426 177.172 177.584 0.022 0.000 1.082 19 A CA -0.163 51.888 52.037 0.023 0.000 0.785 19 A CB 0.117 19.067 19.000 -0.084 0.000 1.020 19 A HN 0.477 nan 8.150 nan 0.000 0.489 20 L N 3.185 124.464 121.223 0.093 0.000 2.344 20 L HA 0.422 4.762 4.340 0.000 0.000 0.272 20 L C -1.660 175.277 176.870 0.112 0.000 1.035 20 L CA -2.050 52.849 54.840 0.097 0.000 0.807 20 L CB 1.544 43.685 42.059 0.137 0.000 1.237 20 L HN 0.575 nan 8.230 nan 0.000 0.442 21 P HA 0.153 nan 4.420 nan 0.000 0.271 21 P C -0.906 176.434 177.300 0.066 0.000 1.233 21 P CA -0.177 62.959 63.100 0.061 0.000 0.789 21 P CB 0.737 32.451 31.700 0.022 0.000 0.951 22 L N -2.826 118.402 121.223 0.007 0.000 1.997 22 L HA -0.105 4.236 4.340 0.000 0.000 0.543 22 L C -0.136 176.324 176.870 -0.682 0.000 1.001 22 L CA -0.299 54.363 54.840 -0.297 0.000 1.210 22 L CB -1.663 40.179 42.059 -0.361 0.000 1.886 22 L HN 0.626 nan 8.230 nan 0.000 0.996 23 A N 4.072 126.425 122.820 -0.778 0.000 2.310 23 A HA 0.906 5.226 4.320 0.000 0.000 0.299 23 A C -0.799 176.070 177.584 -1.193 0.000 1.147 23 A CA -0.115 51.198 52.037 -1.206 0.000 0.818 23 A CB 0.512 19.010 19.000 -0.836 0.000 1.096 23 A HN 0.388 nan 8.150 nan 0.000 0.495 24 F N 2.141 121.654 119.950 -0.728 0.000 2.508 24 F HA 0.520 5.047 4.527 0.000 0.000 0.325 24 F C -1.973 173.613 175.800 -0.356 0.000 1.090 24 F CA -2.447 55.211 58.000 -0.570 0.000 0.945 24 F CB 2.022 40.507 39.000 -0.859 0.000 1.156 24 F HN 0.355 nan 8.300 nan 0.000 0.463 25 P HA 0.109 nan 4.420 nan 0.000 0.272 25 P C -0.732 176.534 177.300 -0.056 0.000 1.223 25 P CA -0.144 62.887 63.100 -0.115 0.000 0.784 25 P CB 1.593 33.143 31.700 -0.249 0.000 0.923 26 V N 3.829 123.733 119.914 -0.018 0.000 2.259 26 V HA 0.159 4.279 4.120 0.000 0.000 0.267 26 V C 0.643 176.726 176.094 -0.018 0.000 1.051 26 V CA -0.367 61.929 62.300 -0.006 0.000 0.830 26 V CB -1.152 30.685 31.823 0.024 0.000 1.080 26 V HN 0.545 nan 8.190 nan 0.000 0.467 27 H N 2.464 121.560 119.070 0.044 0.000 2.690 27 H HA 0.489 5.045 4.556 0.000 0.000 0.365 27 H C 0.860 176.186 175.328 -0.003 0.000 1.142 27 H CA 0.340 56.396 56.048 0.013 0.000 1.417 27 H CB 1.197 30.959 29.762 -0.001 0.000 1.446 27 H HN 0.723 nan 8.280 nan 0.000 0.599 28 T N -1.701 112.937 114.554 0.141 0.000 2.693 28 T HA 0.111 4.461 4.350 0.000 0.000 0.278 28 T C 1.104 175.829 174.700 0.042 0.000 0.994 28 T CA -0.670 61.471 62.100 0.069 0.000 1.033 28 T CB 0.944 69.844 68.868 0.052 0.000 1.342 28 T HN 0.682 nan 8.240 nan 0.000 0.538 29 E N 0.444 120.666 120.200 0.036 0.000 2.209 29 E HA -0.108 4.243 4.350 0.000 0.000 0.196 29 E C 1.754 178.369 176.600 0.026 0.000 0.993 29 E CA 1.385 57.808 56.400 0.038 0.000 0.819 29 E CB -1.197 28.528 29.700 0.041 0.000 0.745 29 E HN 0.379 nan 8.360 nan 0.000 0.477 30 V N 1.020 120.944 119.914 0.017 0.000 2.261 30 V HA -0.267 3.853 4.120 0.000 0.000 0.246 30 V C 2.002 178.077 176.094 -0.032 0.000 1.047 30 V CA 2.325 64.627 62.300 0.004 0.000 1.015 30 V CB -0.605 31.224 31.823 0.010 0.000 0.642 30 V HN 0.205 nan 8.190 nan 0.000 0.446 31 E N -0.095 120.069 120.200 -0.060 0.000 2.150 31 E HA -0.121 4.229 4.350 0.000 0.000 0.193 31 E C 2.067 178.564 176.600 -0.171 0.000 0.985 31 E CA 0.884 57.188 56.400 -0.159 0.000 0.814 31 E CB -0.441 29.064 29.700 -0.325 0.000 0.752 31 E HN 0.416 nan 8.360 nan 0.000 0.466 32 V N 1.411 121.258 119.914 -0.112 0.000 2.261 32 V HA -0.310 3.810 4.120 0.000 0.000 0.246 32 V C 2.171 178.154 176.094 -0.185 0.000 1.047 32 V CA 2.074 64.299 62.300 -0.126 0.000 1.015 32 V CB -0.674 31.133 31.823 -0.027 0.000 0.642 32 V HN 0.324 nan 8.190 nan 0.000 0.446 33 N N -0.053 118.605 118.700 -0.070 0.000 2.104 33 N HA -0.225 4.515 4.740 0.000 0.000 0.190 33 N C 1.902 177.340 175.510 -0.120 0.000 1.024 33 N CA 1.874 54.900 53.050 -0.040 0.000 0.853 33 N CB -0.185 38.371 38.487 0.114 0.000 1.008 33 N HN 0.592 nan 8.380 nan 0.000 0.424 34 Q N -0.479 119.257 119.800 -0.107 0.000 2.050 34 Q HA -0.053 4.287 4.340 0.000 0.000 0.202 34 Q C 2.192 178.100 176.000 -0.154 0.000 0.980 34 Q CA 1.640 57.378 55.803 -0.109 0.000 0.840 34 Q CB -0.282 28.396 28.738 -0.100 0.000 0.898 34 Q HN 0.517 nan 8.270 nan 0.000 0.424 35 A N 1.295 123.995 122.820 -0.200 0.000 1.877 35 A HA -0.155 4.165 4.320 0.000 0.000 0.216 35 A C 2.336 179.772 177.584 -0.246 0.000 1.186 35 A CA 1.757 53.660 52.037 -0.224 0.000 0.620 35 A CB -0.948 17.898 19.000 -0.257 0.000 0.822 35 A HN 0.405 nan 8.150 nan 0.000 0.443 36 A N -1.181 121.436 122.820 -0.338 0.000 1.902 36 A HA -0.089 4.231 4.320 0.000 0.000 0.217 36 A C 2.311 179.745 177.584 -0.250 0.000 1.181 36 A CA 2.336 54.135 52.037 -0.397 0.000 0.623 36 A CB -1.313 17.150 19.000 -0.895 0.000 0.818 36 A HN 0.436 nan 8.150 nan 0.000 0.443 37 T N 0.209 114.642 114.554 -0.202 0.000 2.746 37 T HA -0.024 4.326 4.350 0.000 0.000 0.267 37 T C 2.205 176.861 174.700 -0.074 0.000 1.039 37 T CA 1.628 63.681 62.100 -0.078 0.000 1.142 37 T CB -0.409 68.437 68.868 -0.037 0.000 0.866 37 T HN 0.595 nan 8.240 nan 0.000 0.444 38 A N 1.305 124.066 122.820 -0.098 0.000 1.898 38 A HA 0.238 4.559 4.320 0.000 0.000 0.216 38 A C 2.639 180.166 177.584 -0.095 0.000 1.181 38 A CA 1.698 53.683 52.037 -0.087 0.000 0.620 38 A CB -1.067 17.875 19.000 -0.097 0.000 0.819 38 A HN 0.491 nan 8.150 nan 0.000 0.442 39 A N 0.061 122.805 122.820 -0.125 0.000 1.877 39 A HA 0.120 4.440 4.320 0.000 0.000 0.216 39 A C 2.517 180.053 177.584 -0.080 0.000 1.186 39 A CA 2.215 54.175 52.037 -0.129 0.000 0.620 39 A CB -1.093 17.809 19.000 -0.163 0.000 0.822 39 A HN 1.088 nan 8.150 nan 0.000 0.443 40 A N -0.360 122.423 122.820 -0.061 0.000 1.940 40 A HA -0.196 4.125 4.320 0.000 0.000 0.219 40 A C 2.119 179.699 177.584 -0.007 0.000 1.176 40 A CA 2.054 54.079 52.037 -0.020 0.000 0.631 40 A CB -0.470 18.529 19.000 -0.003 0.000 0.814 40 A HN 0.563 nan 8.150 nan 0.000 0.446 41 K N -0.034 120.355 120.400 -0.019 0.000 2.209 41 K HA -0.095 4.225 4.320 0.000 0.000 0.204 41 K C 1.372 177.972 176.600 0.000 0.000 1.048 41 K CA 1.647 57.929 56.287 -0.008 0.000 0.940 41 K CB -0.159 32.331 32.500 -0.017 0.000 0.729 41 K HN 0.503 nan 8.250 nan 0.000 0.451 42 V N -3.665 116.243 119.914 -0.011 0.000 3.578 42 V HA 0.351 4.471 4.120 0.000 0.000 0.290 42 V C 1.657 177.786 176.094 0.058 0.000 1.376 42 V CA 0.494 62.799 62.300 0.008 0.000 1.083 42 V CB 0.188 31.988 31.823 -0.039 0.000 0.911 42 V HN 0.178 nan 8.190 nan 0.000 0.433 43 A N 1.619 124.471 122.820 0.054 0.000 1.865 43 A HA -0.227 4.093 4.320 0.000 0.000 0.217 43 A C 2.402 180.069 177.584 0.138 0.000 1.191 43 A CA 2.401 54.502 52.037 0.106 0.000 0.623 43 A CB -0.644 18.396 19.000 0.067 0.000 0.826 43 A HN 0.583 nan 8.150 nan 0.000 0.444 44 R N -0.508 120.049 120.500 0.094 0.000 2.080 44 R HA -0.182 4.158 4.340 0.000 0.000 0.236 44 R C 1.605 177.966 176.300 0.100 0.000 1.137 44 R CA 1.997 58.148 56.100 0.086 0.000 0.943 44 R CB -0.417 29.921 30.300 0.063 0.000 0.846 44 R HN 0.485 nan 8.270 nan 0.000 0.431 45 D N -0.278 120.187 120.400 0.108 0.000 2.144 45 D HA -0.179 4.461 4.640 0.000 0.000 0.199 45 D C 1.603 178.007 176.300 0.173 0.000 0.984 45 D CA 0.930 54.999 54.000 0.116 0.000 0.834 45 D CB -0.247 40.615 40.800 0.102 0.000 0.955 45 D HN 0.190 nan 8.370 nan 0.000 0.465 46 F N 2.296 122.259 119.950 0.022 0.000 2.146 46 F HA -0.125 4.402 4.527 0.000 0.000 0.298 46 F C 2.314 178.137 175.800 0.037 0.000 1.096 46 F CA 1.302 59.316 58.000 0.024 0.000 1.275 46 F CB -0.133 38.873 39.000 0.010 0.000 1.008 46 F HN -0.085 nan 8.300 nan 0.000 0.480 47 R N 0.027 120.524 120.500 -0.005 0.000 2.235 47 R HA 0.010 4.350 4.340 0.000 0.000 0.213 47 R C 1.737 178.017 176.300 -0.032 0.000 1.059 47 R CA 1.112 57.156 56.100 -0.094 0.000 0.997 47 R CB -0.569 29.726 30.300 -0.010 0.000 0.884 47 R HN 0.207 nan 8.270 nan 0.000 0.462 48 R N 0.789 121.298 120.500 0.015 0.000 2.310 48 R HA 0.247 4.587 4.340 0.000 0.000 0.202 48 R C 0.218 176.536 176.300 0.030 0.000 0.933 48 R CA -0.191 55.932 56.100 0.037 0.000 1.054 48 R CB 0.024 30.354 30.300 0.050 0.000 0.985 48 R HN 0.148 nan 8.270 nan 0.000 0.489 49 L N 1.752 122.976 121.223 0.001 0.000 2.482 49 L HA -0.021 4.320 4.340 0.000 0.000 0.273 49 L C 0.556 177.435 176.870 0.014 0.000 1.228 49 L CA -0.082 54.762 54.840 0.007 0.000 0.827 49 L CB 0.120 42.167 42.059 -0.021 0.000 1.099 49 L HN 0.132 nan 8.230 nan 0.000 0.494 50 N N 1.535 120.249 118.700 0.023 0.000 2.479 50 N HA -0.014 4.726 4.740 0.000 0.000 0.257 50 N C 0.685 176.208 175.510 0.021 0.000 1.232 50 N CA 0.148 53.217 53.050 0.031 0.000 0.920 50 N CB 0.421 38.921 38.487 0.023 0.000 1.105 50 N HN 0.533 nan 8.380 nan 0.000 0.444 51 N N 0.208 118.930 118.700 0.036 0.000 2.149 51 N HA -0.205 4.535 4.740 0.000 0.000 0.188 51 N C 1.613 177.106 175.510 -0.029 0.000 1.019 51 N CA 1.426 54.471 53.050 -0.008 0.000 0.857 51 N CB 0.032 38.499 38.487 -0.032 0.000 0.997 51 N HN 0.571 nan 8.380 nan 0.000 0.426 52 S N 0.909 116.603 115.700 -0.011 0.000 2.383 52 S HA -0.111 4.359 4.470 0.000 0.000 0.227 52 S C 1.852 176.452 174.600 -0.000 0.000 1.026 52 S CA 0.924 59.119 58.200 -0.009 0.000 0.981 52 S CB -0.113 63.086 63.200 -0.002 0.000 0.818 52 S HN 0.118 nan 8.310 nan 0.000 0.472 53 K N 1.751 122.154 120.400 0.006 0.000 2.025 53 K HA 0.101 4.421 4.320 0.000 0.000 0.207 53 K C 2.396 179.008 176.600 0.021 0.000 1.049 53 K CA 1.369 57.667 56.287 0.018 0.000 0.933 53 K CB -0.514 32.002 32.500 0.027 0.000 0.714 53 K HN 0.384 nan 8.250 nan 0.000 0.438 54 R N -0.514 119.982 120.500 -0.007 0.000 2.115 54 R HA 0.008 4.348 4.340 0.000 0.000 0.230 54 R C 2.035 178.339 176.300 0.007 0.000 1.111 54 R CA 1.175 57.264 56.100 -0.018 0.000 0.976 54 R CB -0.286 29.931 30.300 -0.138 0.000 0.870 54 R HN 0.315 nan 8.270 nan 0.000 0.445 55 A N -0.490 122.326 122.820 -0.007 0.000 1.898 55 A HA -0.158 4.162 4.320 0.000 0.000 0.216 55 A C 2.076 179.669 177.584 0.014 0.000 1.181 55 A CA 1.789 53.826 52.037 0.000 0.000 0.620 55 A CB -0.702 18.287 19.000 -0.018 0.000 0.819 55 A HN 0.386 nan 8.150 nan 0.000 0.442 56 S N -0.586 115.123 115.700 0.015 0.000 2.368 56 S HA -0.163 4.307 4.470 0.000 0.000 0.225 56 S C 1.960 176.575 174.600 0.025 0.000 1.030 56 S CA 1.566 59.776 58.200 0.017 0.000 0.999 56 S CB -0.503 62.708 63.200 0.018 0.000 0.844 56 S HN 0.544 nan 8.310 nan 0.000 0.459 57 L N 1.691 122.940 121.223 0.042 0.000 2.042 57 L HA -0.004 4.336 4.340 0.000 0.000 0.210 57 L C 2.101 178.993 176.870 0.036 0.000 1.076 57 L CA 1.801 56.672 54.840 0.053 0.000 0.749 57 L CB -0.722 41.403 42.059 0.109 0.000 0.893 57 L HN 0.410 nan 8.230 nan 0.000 0.432 58 L N -0.867 120.381 121.223 0.042 0.000 2.083 58 L HA -0.170 4.170 4.340 0.000 0.000 0.209 58 L C 2.770 179.651 176.870 0.018 0.000 1.083 58 L CA 1.226 56.087 54.840 0.035 0.000 0.752 58 L CB -0.542 41.553 42.059 0.059 0.000 0.899 58 L HN 0.260 nan 8.230 nan 0.000 0.433 59 R N -0.819 119.691 120.500 0.015 0.000 2.115 59 R HA -0.069 4.272 4.340 0.000 0.000 0.226 59 R C 2.219 178.518 176.300 -0.001 0.000 1.100 59 R CA 1.585 57.689 56.100 0.006 0.000 0.980 59 R CB -0.545 29.758 30.300 0.006 0.000 0.875 59 R HN 0.325 nan 8.270 nan 0.000 0.445 60 T N 1.546 116.100 114.554 -0.001 0.000 2.821 60 T HA -0.024 4.326 4.350 0.000 0.000 0.267 60 T C 1.942 176.629 174.700 -0.021 0.000 1.046 60 T CA 0.899 62.995 62.100 -0.007 0.000 1.139 60 T CB -0.063 68.803 68.868 -0.003 0.000 0.871 60 T HN 0.128 nan 8.240 nan 0.000 0.454 61 I N 1.378 121.930 120.570 -0.030 0.000 2.226 61 I HA -0.177 3.993 4.170 0.000 0.000 0.245 61 I C 2.920 179.008 176.117 -0.047 0.000 1.100 61 I CA 1.041 62.306 61.300 -0.059 0.000 1.374 61 I CB -0.466 37.484 38.000 -0.083 0.000 1.057 61 I HN 0.189 nan 8.210 nan 0.000 0.413 62 A N -0.101 122.702 122.820 -0.028 0.000 1.883 62 A HA -0.241 4.079 4.320 0.000 0.000 0.217 62 A C 2.488 180.061 177.584 -0.019 0.000 1.186 62 A CA 2.397 54.422 52.037 -0.020 0.000 0.624 62 A CB -0.826 18.169 19.000 -0.009 0.000 0.822 62 A HN 0.375 nan 8.150 nan 0.000 0.444 63 S N -0.648 115.042 115.700 -0.016 0.000 2.368 63 S HA -0.121 4.349 4.470 0.000 0.000 0.225 63 S C 1.980 176.570 174.600 -0.016 0.000 1.030 63 S CA 1.289 59.481 58.200 -0.013 0.000 0.999 63 S CB -0.291 62.903 63.200 -0.010 0.000 0.844 63 S HN 0.579 nan 8.310 nan 0.000 0.459 64 E N 1.231 121.417 120.200 -0.024 0.000 2.110 64 E HA -0.064 4.286 4.350 0.000 0.000 0.193 64 E C 2.087 178.671 176.600 -0.026 0.000 0.988 64 E CA 0.600 56.985 56.400 -0.026 0.000 0.804 64 E CB -0.444 29.233 29.700 -0.038 0.000 0.745 64 E HN 0.463 nan 8.360 nan 0.000 0.458 65 L N 0.775 121.979 121.223 -0.032 0.000 2.017 65 L HA -0.200 4.140 4.340 0.000 0.000 0.208 65 L C 2.333 179.194 176.870 -0.015 0.000 1.073 65 L CA 1.362 56.186 54.840 -0.027 0.000 0.745 65 L CB -0.378 41.663 42.059 -0.030 0.000 0.894 65 L HN 0.127 nan 8.230 nan 0.000 0.432 66 E N 0.002 120.195 120.200 -0.012 0.000 2.153 66 E HA -0.200 4.150 4.350 0.000 0.000 0.194 66 E C 2.198 178.795 176.600 -0.005 0.000 0.988 66 E CA 1.033 57.429 56.400 -0.007 0.000 0.811 66 E CB -0.157 29.540 29.700 -0.005 0.000 0.746 66 E HN 0.500 nan 8.360 nan 0.000 0.466 67 A N 1.215 124.030 122.820 -0.007 0.000 2.015 67 A HA -0.089 4.231 4.320 0.000 0.000 0.219 67 A C 1.803 179.386 177.584 -0.003 0.000 1.163 67 A CA 0.867 52.901 52.037 -0.005 0.000 0.646 67 A CB 0.028 19.024 19.000 -0.006 0.000 0.806 67 A HN -0.021 nan 8.150 nan 0.000 0.448 68 R N -0.136 120.362 120.500 -0.003 0.000 2.466 68 R HA 0.247 4.587 4.340 0.000 0.000 0.279 68 R C 1.452 177.754 176.300 0.004 0.000 0.976 68 R CA 0.476 56.577 56.100 0.002 0.000 1.081 68 R CB -0.628 29.673 30.300 0.002 0.000 1.215 68 R HN 0.463 nan 8.270 nan 0.000 0.546 69 S N 1.715 117.416 115.700 0.002 0.000 2.378 69 S HA -0.213 4.258 4.470 0.000 0.000 0.229 69 S C 1.153 175.756 174.600 0.006 0.000 1.052 69 S CA 1.963 60.165 58.200 0.003 0.000 1.084 69 S CB -0.066 63.135 63.200 0.001 0.000 0.950 69 S HN 0.352 nan 8.310 nan 0.000 0.440 70 D N 1.195 121.598 120.400 0.006 0.000 2.092 70 D HA -0.111 4.529 4.640 0.000 0.000 0.193 70 D C 1.738 178.049 176.300 0.017 0.000 0.994 70 D CA 1.271 55.275 54.000 0.008 0.000 0.828 70 D CB -0.675 40.128 40.800 0.006 0.000 0.963 70 D HN 0.354 nan 8.370 nan 0.000 0.450 71 D N 0.493 120.906 120.400 0.021 0.000 2.104 71 D HA -0.113 4.527 4.640 0.000 0.000 0.194 71 D C 2.403 178.726 176.300 0.039 0.000 0.994 71 D CA 0.470 54.489 54.000 0.032 0.000 0.830 71 D CB -0.369 40.449 40.800 0.030 0.000 0.959 71 D HN 0.292 nan 8.370 nan 0.000 0.452 72 I N 0.838 121.425 120.570 0.030 0.000 2.127 72 I HA -0.258 3.913 4.170 0.000 0.000 0.241 72 I C 2.567 178.704 176.117 0.034 0.000 1.075 72 I CA 0.908 62.225 61.300 0.029 0.000 1.334 72 I CB -0.272 37.736 38.000 0.014 0.000 1.040 72 I HN -0.050 nan 8.210 nan 0.000 0.405 73 I N 0.825 121.413 120.570 0.029 0.000 2.127 73 I HA -0.322 3.848 4.170 0.000 0.000 0.241 73 I C 2.858 179.020 176.117 0.075 0.000 1.075 73 I CA 1.529 62.851 61.300 0.036 0.000 1.334 73 I CB -0.521 37.484 38.000 0.009 0.000 1.040 73 I HN 0.217 nan 8.210 nan 0.000 0.405 74 A N 0.674 123.534 122.820 0.066 0.000 1.883 74 A HA -0.288 4.032 4.320 0.000 0.000 0.217 74 A C 2.338 180.006 177.584 0.139 0.000 1.186 74 A CA 2.249 54.346 52.037 0.099 0.000 0.624 74 A CB -0.598 18.442 19.000 0.066 0.000 0.822 74 A HN 0.310 nan 8.150 nan 0.000 0.444 75 R N -0.083 120.480 120.500 0.104 0.000 2.066 75 R HA 0.034 4.375 4.340 0.000 0.000 0.232 75 R C 2.190 178.550 176.300 0.101 0.000 1.131 75 R CA 1.910 58.074 56.100 0.106 0.000 0.955 75 R CB -0.875 29.482 30.300 0.096 0.000 0.851 75 R HN 0.384 nan 8.270 nan 0.000 0.432 76 A N -0.577 122.291 122.820 0.080 0.000 1.972 76 A HA -0.197 4.123 4.320 0.000 0.000 0.219 76 A C 2.051 179.676 177.584 0.069 0.000 1.169 76 A CA 1.852 53.914 52.037 0.042 0.000 0.635 76 A CB -0.907 18.090 19.000 -0.006 0.000 0.810 76 A HN 0.651 nan 8.150 nan 0.000 0.446 77 H N 0.022 119.115 119.070 0.039 0.000 2.353 77 H HA -0.002 4.555 4.556 0.000 0.000 0.300 77 H C 1.634 177.057 175.328 0.158 0.000 1.090 77 H CA 2.022 58.124 56.048 0.089 0.000 1.327 77 H CB -0.252 29.575 29.762 0.109 0.000 1.383 77 H HN 0.373 nan 8.280 nan 0.000 0.508 78 L N -0.146 121.113 121.223 0.059 0.000 2.217 78 L HA -0.042 4.298 4.340 0.000 0.000 0.211 78 L C 2.159 179.019 176.870 -0.017 0.000 1.107 78 L CA 1.192 56.064 54.840 0.055 0.000 0.783 78 L CB -0.222 41.913 42.059 0.127 0.000 0.919 78 L HN 0.396 nan 8.230 nan 0.000 0.442 79 E N -0.673 119.524 120.200 -0.004 0.000 2.230 79 E HA -0.110 4.240 4.350 0.000 0.000 0.192 79 E C 1.797 178.353 176.600 -0.073 0.000 0.987 79 E CA 1.545 57.943 56.400 -0.003 0.000 0.841 79 E CB 0.185 29.921 29.700 0.060 0.000 0.783 79 E HN 0.520 nan 8.360 nan 0.000 0.481 80 T N -3.777 110.695 114.554 -0.137 0.000 2.975 80 T HA 0.500 4.850 4.350 0.000 0.000 0.261 80 T C 1.260 175.771 174.700 -0.316 0.000 0.984 80 T CA 0.365 62.357 62.100 -0.179 0.000 0.911 80 T CB 0.882 69.668 68.868 -0.137 0.000 1.127 80 T HN 0.120 nan 8.240 nan 0.000 0.514 81 A N 0.783 123.304 122.820 -0.499 0.000 3.396 81 A HA -0.118 4.202 4.320 0.000 0.000 0.267 81 A C 0.325 177.789 177.584 -0.199 0.000 1.139 81 A CA 0.979 52.549 52.037 -0.777 0.000 1.115 81 A CB -2.656 15.728 19.000 -1.028 0.000 1.133 81 A HN 0.640 nan 8.150 nan 0.000 0.920 82 L N 1.513 122.687 121.223 -0.081 0.000 2.416 82 L HA 0.308 4.648 4.340 0.000 0.000 0.272 82 L C -1.404 175.602 176.870 0.227 0.000 1.161 82 L CA -1.676 53.175 54.840 0.018 0.000 0.845 82 L CB 0.313 42.334 42.059 -0.064 0.000 1.119 82 L HN 0.217 nan 8.230 nan 0.000 0.464 83 P HA 0.000 nan 4.420 nan 0.000 0.269 83 P C -0.010 177.325 177.300 0.059 0.000 1.209 83 P CA -0.100 63.099 63.100 0.167 0.000 0.776 83 P CB 0.770 32.520 31.700 0.085 0.000 0.876 84 E N 0.858 121.005 120.200 -0.089 0.000 2.118 84 E HA -0.148 4.202 4.350 0.000 0.000 0.195 84 E C 1.742 178.315 176.600 -0.045 0.000 0.992 84 E CA 0.919 57.253 56.400 -0.111 0.000 0.804 84 E CB -0.340 29.234 29.700 -0.209 0.000 0.741 84 E HN 0.207 nan 8.360 nan 0.000 0.458 85 V N 1.514 121.409 119.914 -0.032 0.000 2.343 85 V HA -0.281 3.839 4.120 0.000 0.000 0.247 85 V C 2.452 178.549 176.094 0.006 0.000 1.051 85 V CA 2.250 64.543 62.300 -0.012 0.000 1.036 85 V CB -0.211 31.607 31.823 -0.007 0.000 0.654 85 V HN 0.153 nan 8.190 nan 0.000 0.451 86 R N 0.299 120.805 120.500 0.011 0.000 2.066 86 R HA -0.050 4.290 4.340 0.000 0.000 0.232 86 R C 2.003 178.304 176.300 0.001 0.000 1.131 86 R CA 2.188 58.297 56.100 0.015 0.000 0.955 86 R CB -1.097 29.205 30.300 0.003 0.000 0.851 86 R HN 0.520 nan 8.270 nan 0.000 0.432 87 L N 0.125 121.344 121.223 -0.007 0.000 2.083 87 L HA -0.109 4.232 4.340 0.000 0.000 0.209 87 L C 2.176 179.048 176.870 0.003 0.000 1.083 87 L CA 1.824 56.658 54.840 -0.009 0.000 0.752 87 L CB -0.647 41.414 42.059 0.002 0.000 0.899 87 L HN 0.291 nan 8.230 nan 0.000 0.433 88 T N -0.433 114.123 114.554 0.003 0.000 2.788 88 T HA -0.119 4.231 4.350 0.000 0.000 0.268 88 T C 1.806 176.518 174.700 0.020 0.000 1.044 88 T CA 1.376 63.480 62.100 0.006 0.000 1.139 88 T CB -0.402 68.466 68.868 -0.000 0.000 0.867 88 T HN 0.567 nan 8.240 nan 0.000 0.454 89 G N 0.487 109.305 108.800 0.030 0.000 2.421 89 G HA2 -0.116 3.844 3.960 0.000 0.000 0.217 89 G HA3 -0.116 3.844 3.960 0.000 0.000 0.217 89 G C 1.377 176.317 174.900 0.066 0.000 1.143 89 G CA 0.434 45.564 45.100 0.049 0.000 0.784 89 G HN 0.499 nan 8.290 nan 0.000 0.541 90 E N -0.098 120.140 120.200 0.065 0.000 2.152 90 E HA -0.042 4.308 4.350 0.000 0.000 0.192 90 E C 2.396 179.034 176.600 0.065 0.000 0.983 90 E CA 0.165 56.621 56.400 0.093 0.000 0.818 90 E CB -0.008 29.739 29.700 0.078 0.000 0.758 90 E HN 0.273 nan 8.360 nan 0.000 0.467 91 I N 1.159 121.751 120.570 0.036 0.000 2.179 91 I HA -0.248 3.922 4.170 0.000 0.000 0.242 91 I C 2.513 178.643 176.117 0.021 0.000 1.088 91 I CA 1.286 62.599 61.300 0.021 0.000 1.357 91 I CB -1.345 36.662 38.000 0.011 0.000 1.051 91 I HN 0.121 nan 8.210 nan 0.000 0.409 92 A N 0.734 123.569 122.820 0.025 0.000 1.877 92 A HA -0.246 4.075 4.320 0.000 0.000 0.216 92 A C 2.544 180.140 177.584 0.021 0.000 1.186 92 A CA 1.788 53.837 52.037 0.020 0.000 0.620 92 A CB -0.708 18.306 19.000 0.023 0.000 0.822 92 A HN 0.359 nan 8.150 nan 0.000 0.443 93 R N -0.758 119.765 120.500 0.037 0.000 2.080 93 R HA -0.151 4.190 4.340 0.000 0.000 0.236 93 R C 2.180 178.487 176.300 0.012 0.000 1.137 93 R CA 2.256 58.376 56.100 0.034 0.000 0.943 93 R CB -0.807 29.540 30.300 0.078 0.000 0.846 93 R HN 0.479 nan 8.270 nan 0.000 0.431 94 T N 0.718 115.285 114.554 0.021 0.000 2.684 94 T HA -0.169 4.181 4.350 0.000 0.000 0.267 94 T C 1.828 176.527 174.700 -0.002 0.000 1.036 94 T CA 1.608 63.711 62.100 0.005 0.000 1.148 94 T CB -0.366 68.509 68.868 0.012 0.000 0.863 94 T HN 0.513 nan 8.240 nan 0.000 0.436 95 A N 2.256 125.076 122.820 -0.001 0.000 1.898 95 A HA -0.119 4.201 4.320 0.000 0.000 0.216 95 A C 2.249 179.828 177.584 -0.008 0.000 1.181 95 A CA 1.373 53.407 52.037 -0.005 0.000 0.620 95 A CB -0.543 18.454 19.000 -0.004 0.000 0.819 95 A HN 0.391 nan 8.150 nan 0.000 0.442 96 N N -0.522 118.170 118.700 -0.013 0.000 2.331 96 N HA -0.149 4.592 4.740 0.000 0.000 0.180 96 N C 1.837 177.313 175.510 -0.057 0.000 1.019 96 N CA 1.380 54.412 53.050 -0.030 0.000 0.881 96 N CB -0.321 38.150 38.487 -0.028 0.000 0.972 96 N HN 0.799 nan 8.380 nan 0.000 0.435 97 Q N 0.716 120.489 119.800 -0.045 0.000 2.079 97 Q HA 0.000 4.340 4.340 0.000 0.000 0.200 97 Q C 2.032 178.050 176.000 0.031 0.000 0.974 97 Q CA 0.861 56.630 55.803 -0.056 0.000 0.840 97 Q CB -0.017 28.710 28.738 -0.017 0.000 0.898 97 Q HN 0.268 nan 8.270 nan 0.000 0.430 98 L N 0.091 121.353 121.223 0.065 0.000 2.046 98 L HA -0.181 4.159 4.340 0.000 0.000 0.208 98 L C 2.643 179.556 176.870 0.071 0.000 1.077 98 L CA 1.432 56.338 54.840 0.110 0.000 0.747 98 L CB -0.244 41.841 42.059 0.044 0.000 0.896 98 L HN 0.172 nan 8.230 nan 0.000 0.432 99 R N -0.647 119.857 120.500 0.005 0.000 2.120 99 R HA -0.177 4.163 4.340 0.000 0.000 0.234 99 R C 2.155 178.418 176.300 -0.062 0.000 1.123 99 R CA 1.109 57.199 56.100 -0.017 0.000 0.975 99 R CB -0.436 29.850 30.300 -0.023 0.000 0.866 99 R HN 0.191 nan 8.270 nan 0.000 0.446 100 L N -0.015 121.117 121.223 -0.153 0.000 2.017 100 L HA -0.113 4.227 4.340 0.000 0.000 0.208 100 L C 1.611 178.269 176.870 -0.353 0.000 1.073 100 L CA 1.789 56.437 54.840 -0.319 0.000 0.745 100 L CB -0.403 41.330 42.059 -0.544 0.000 0.894 100 L HN -0.010 nan 8.230 nan 0.000 0.432 101 F N -0.116 119.784 119.950 -0.084 0.000 2.407 101 F HA 0.033 4.560 4.527 0.000 0.000 0.299 101 F C 2.451 178.218 175.800 -0.056 0.000 1.097 101 F CA 0.837 58.797 58.000 -0.066 0.000 1.422 101 F CB -1.161 37.811 39.000 -0.046 0.000 1.067 101 F HN 0.202 nan 8.300 nan 0.000 0.539 102 A N 0.036 122.907 122.820 0.086 0.000 1.902 102 A HA -0.170 4.150 4.320 0.000 0.000 0.217 102 A C 2.036 179.619 177.584 -0.002 0.000 1.181 102 A CA 1.971 54.031 52.037 0.037 0.000 0.623 102 A CB -0.705 18.308 19.000 0.022 0.000 0.818 102 A HN 0.233 nan 8.150 nan 0.000 0.443 103 D N -0.184 120.208 120.400 -0.014 0.000 2.117 103 D HA -0.098 4.542 4.640 0.000 0.000 0.197 103 D C 2.114 178.406 176.300 -0.014 0.000 0.987 103 D CA 1.411 55.406 54.000 -0.008 0.000 0.829 103 D CB -0.541 40.270 40.800 0.018 0.000 0.961 103 D HN 0.210 nan 8.370 nan 0.000 0.460 104 V N 0.984 120.891 119.914 -0.011 0.000 2.255 104 V HA -0.229 3.891 4.120 0.000 0.000 0.247 104 V C 2.716 178.711 176.094 -0.165 0.000 1.051 104 V CA 1.183 63.476 62.300 -0.012 0.000 1.018 104 V CB -0.529 31.324 31.823 0.050 0.000 0.641 104 V HN 0.048 nan 8.190 nan 0.000 0.445 105 V N 0.332 120.136 119.914 -0.184 0.000 2.255 105 V HA -0.302 3.818 4.120 0.000 0.000 0.247 105 V C 2.286 178.162 176.094 -0.363 0.000 1.051 105 V CA 2.562 64.609 62.300 -0.421 0.000 1.018 105 V CB -1.052 30.661 31.823 -0.183 0.000 0.641 105 V HN 0.609 nan 8.190 nan 0.000 0.445 106 N N -0.083 118.516 118.700 -0.168 0.000 2.205 106 N HA -0.188 4.552 4.740 0.000 0.000 0.186 106 N C 2.030 177.479 175.510 -0.101 0.000 1.015 106 N CA 1.520 54.507 53.050 -0.105 0.000 0.862 106 N CB -0.261 38.194 38.487 -0.052 0.000 0.986 106 N HN 0.392 nan 8.380 nan 0.000 0.429 107 S N -1.207 114.425 115.700 -0.112 0.000 2.382 107 S HA -0.033 4.437 4.470 0.000 0.000 0.228 107 S C 1.454 176.014 174.600 -0.066 0.000 1.027 107 S CA 1.652 59.810 58.200 -0.070 0.000 0.991 107 S CB -0.703 62.473 63.200 -0.041 0.000 0.823 107 S HN 0.657 nan 8.310 nan 0.000 0.469 108 G N -0.030 108.660 108.800 -0.184 0.000 2.179 108 G HA2 -0.328 3.632 3.960 0.000 0.000 0.260 108 G HA3 -0.328 3.632 3.960 0.000 0.000 0.260 108 G C 1.078 176.060 174.900 0.137 0.000 0.977 108 G CA 1.254 46.341 45.100 -0.021 0.000 0.641 108 G HN 1.173 nan 8.290 nan 0.000 0.533 109 S N 0.085 115.812 115.700 0.045 0.000 2.402 109 S HA -0.118 4.352 4.470 0.000 0.000 0.229 109 S C 2.166 176.948 174.600 0.303 0.000 1.021 109 S CA 1.826 60.121 58.200 0.159 0.000 0.974 109 S CB -0.546 62.726 63.200 0.120 0.000 0.800 109 S HN 1.455 nan 8.310 nan 0.000 0.484 110 Y N 1.794 122.137 120.300 0.071 0.000 2.483 110 Y HA 0.013 4.564 4.550 0.000 0.000 0.291 110 Y C 1.886 177.833 175.900 0.078 0.000 1.143 110 Y CA 0.632 58.773 58.100 0.069 0.000 1.289 110 Y CB -1.830 36.570 38.460 -0.101 0.000 0.983 110 Y HN 0.353 nan 8.280 nan 0.000 0.556 111 H N 0.976 120.441 119.070 0.660 0.000 2.423 111 H HA -0.070 4.486 4.556 0.000 0.000 0.297 111 H C 0.652 176.087 175.328 0.179 0.000 1.075 111 H CA 1.479 57.699 56.048 0.287 0.000 1.342 111 H CB -0.115 29.812 29.762 0.275 0.000 1.395 111 H HN 0.464 nan 8.280 nan 0.000 0.530 112 Q N -0.712 119.276 119.800 0.314 0.000 2.453 112 Q HA -0.151 4.189 4.340 0.000 0.000 0.294 112 Q C -0.063 176.028 176.000 0.152 0.000 1.295 112 Q CA 0.089 56.006 55.803 0.190 0.000 0.853 112 Q CB -1.418 27.401 28.738 0.135 0.000 1.193 112 Q HN 0.446 nan 8.270 nan 0.000 0.461 113 A N 0.836 123.752 122.820 0.160 0.000 2.548 113 A HA 0.393 4.713 4.320 0.000 0.000 0.247 113 A C 0.290 177.917 177.584 0.071 0.000 1.067 113 A CA 0.513 52.607 52.037 0.096 0.000 0.757 113 A CB 0.227 19.259 19.000 0.054 0.000 0.996 113 A HN 0.423 nan 8.150 nan 0.000 0.504 114 I N 2.945 123.553 120.570 0.064 0.000 2.569 114 I HA 0.447 4.617 4.170 0.000 0.000 0.290 114 I C -0.697 175.449 176.117 0.047 0.000 1.088 114 I CA -0.462 60.869 61.300 0.051 0.000 1.047 114 I CB 1.921 39.953 38.000 0.053 0.000 1.237 114 I HN 0.633 nan 8.210 nan 0.000 0.421 115 L N 2.463 123.707 121.223 0.035 0.000 2.422 115 L HA 0.705 5.045 4.340 0.000 0.000 0.264 115 L C -1.467 175.419 176.870 0.027 0.000 0.984 115 L CA -0.946 53.914 54.840 0.032 0.000 0.819 115 L CB 2.307 44.379 42.059 0.022 0.000 1.330 115 L HN 0.337 nan 8.230 nan 0.000 0.410 116 D N 1.150 121.567 120.400 0.029 0.000 2.198 116 D HA 0.273 4.913 4.640 0.000 0.000 0.245 116 D C -0.290 176.021 176.300 0.019 0.000 1.079 116 D CA -0.141 53.873 54.000 0.023 0.000 0.854 116 D CB 2.355 43.169 40.800 0.024 0.000 1.148 116 D HN 0.499 nan 8.370 nan 0.000 0.456 117 T N 4.534 119.097 114.554 0.015 0.000 2.779 117 T HA 0.216 4.566 4.350 0.000 0.000 0.296 117 T C -1.917 172.791 174.700 0.012 0.000 0.938 117 T CA -0.990 61.117 62.100 0.012 0.000 1.119 117 T CB 0.846 69.719 68.868 0.009 0.000 0.891 117 T HN 0.230 nan 8.240 nan 0.000 0.526 118 P HA 0.132 nan 4.420 nan 0.000 0.271 118 P C -0.435 176.871 177.300 0.010 0.000 1.233 118 P CA -0.385 62.722 63.100 0.013 0.000 0.789 118 P CB 0.558 32.266 31.700 0.013 0.000 0.951 119 N N 1.075 119.781 118.700 0.009 0.000 2.685 119 N HA 0.256 4.996 4.740 0.000 0.000 0.252 119 N C -2.277 173.238 175.510 0.007 0.000 1.261 119 N CA -2.055 51.000 53.050 0.008 0.000 0.768 119 N CB 0.538 39.030 38.487 0.007 0.000 1.304 119 N HN -0.019 nan 8.380 nan 0.000 0.536 120 P HA -0.085 nan 4.420 nan 0.000 0.216 120 P C 0.819 178.122 177.300 0.006 0.000 1.150 120 P CA 1.443 64.547 63.100 0.007 0.000 0.837 120 P CB 0.161 31.865 31.700 0.006 0.000 0.786 121 T N -3.054 111.503 114.554 0.005 0.000 3.235 121 T HA 0.113 4.463 4.350 0.000 0.000 0.251 121 T C 0.576 175.279 174.700 0.004 0.000 1.060 121 T CA -0.640 61.463 62.100 0.004 0.000 0.949 121 T CB -0.766 68.104 68.868 0.004 0.000 1.020 121 T HN 0.155 nan 8.240 nan 0.000 0.564 122 R N 0.583 121.085 120.500 0.005 0.000 2.459 122 R HA 0.753 5.093 4.340 0.000 0.000 0.281 122 R C -0.550 175.753 176.300 0.004 0.000 1.050 122 R CA -0.717 55.385 56.100 0.004 0.000 1.055 122 R CB 0.829 31.132 30.300 0.005 0.000 1.045 122 R HN 0.123 nan 8.270 nan 0.000 0.495 123 A N 3.190 126.013 122.820 0.004 0.000 2.337 123 A HA 0.479 4.799 4.320 0.000 0.000 0.331 123 A C -1.562 176.024 177.584 0.003 0.000 1.137 123 A CA -1.655 50.385 52.037 0.003 0.000 0.807 123 A CB 1.018 20.020 19.000 0.003 0.000 1.250 123 A HN 0.897 nan 8.150 nan 0.000 0.468 124 P HA 0.111 nan 4.420 nan 0.000 0.222 124 P C -0.158 177.144 177.300 0.004 0.000 1.153 124 P CA 0.825 63.927 63.100 0.003 0.000 0.798 124 P CB 0.143 31.845 31.700 0.003 0.000 0.796 125 L N 1.810 123.036 121.223 0.004 0.000 2.346 125 L HA 0.467 4.807 4.340 0.000 0.000 0.276 125 L C -2.442 174.431 176.870 0.005 0.000 1.006 125 L CA -2.687 52.155 54.840 0.005 0.000 0.817 125 L CB 2.286 44.348 42.059 0.005 0.000 1.272 125 L HN -0.186 nan 8.230 nan 0.000 0.421 126 P HA 0.031 nan 4.420 nan 0.000 0.272 126 P C -1.273 176.032 177.300 0.008 0.000 1.223 126 P CA -0.459 62.645 63.100 0.007 0.000 0.784 126 P CB 1.020 32.724 31.700 0.007 0.000 0.923 127 K N 3.953 124.358 120.400 0.009 0.000 2.262 127 K HA 0.284 4.605 4.320 0.000 0.000 0.282 127 K C -2.001 174.607 176.600 0.012 0.000 1.066 127 K CA -2.241 54.053 56.287 0.010 0.000 0.901 127 K CB 0.390 32.896 32.500 0.010 0.000 1.089 127 K HN 0.335 nan 8.250 nan 0.000 0.476 128 P HA -0.002 nan 4.420 nan 0.000 0.274 128 P C -0.910 176.403 177.300 0.021 0.000 1.246 128 P CA -0.250 62.860 63.100 0.017 0.000 0.795 128 P CB 0.661 32.372 31.700 0.018 0.000 1.006 129 D N 1.423 121.838 120.400 0.025 0.000 2.339 129 D HA 0.293 4.933 4.640 0.000 0.000 0.241 129 D C -0.484 175.841 176.300 0.042 0.000 1.183 129 D CA -0.128 53.889 54.000 0.029 0.000 0.859 129 D CB -0.335 40.481 40.800 0.026 0.000 1.067 129 D HN 0.212 nan 8.370 nan 0.000 0.484 130 I N 3.918 124.514 120.570 0.044 0.000 2.509 130 I HA 0.455 4.625 4.170 0.000 0.000 0.293 130 I C 0.159 176.320 176.117 0.074 0.000 1.020 130 I CA -0.865 60.472 61.300 0.062 0.000 1.088 130 I CB 1.821 39.850 38.000 0.048 0.000 1.267 130 I HN 0.092 nan 8.210 nan 0.000 0.430 131 R N 5.477 126.048 120.500 0.119 0.000 2.604 131 R HA 0.629 4.969 4.340 0.000 0.000 0.281 131 R C -1.166 175.268 176.300 0.224 0.000 1.020 131 R CA -0.990 55.182 56.100 0.120 0.000 0.899 131 R CB 2.921 33.260 30.300 0.065 0.000 1.205 131 R HN 0.688 nan 8.270 nan 0.000 0.450 132 R N 1.216 121.819 120.500 0.172 0.000 2.854 132 R HA 0.521 4.861 4.340 0.000 0.000 0.271 132 R C -1.112 175.296 176.300 0.180 0.000 0.994 132 R CA -1.016 55.216 56.100 0.219 0.000 0.945 132 R CB 2.154 32.534 30.300 0.134 0.000 1.194 132 R HN 0.763 nan 8.270 nan 0.000 0.476 133 Q N 0.567 120.503 119.800 0.226 0.000 2.590 133 Q HA 0.317 4.658 4.340 0.000 0.000 0.295 133 Q C -1.336 174.772 176.000 0.180 0.000 0.973 133 Q CA -1.235 54.683 55.803 0.192 0.000 0.768 133 Q CB 1.862 30.701 28.738 0.167 0.000 1.479 133 Q HN 0.519 nan 8.270 nan 0.000 0.419 134 Q N 1.301 121.190 119.800 0.149 0.000 2.230 134 Q HA 0.625 4.966 4.340 0.000 0.000 0.253 134 Q C -0.299 175.710 176.000 0.015 0.000 0.919 134 Q CA -0.409 55.435 55.803 0.069 0.000 0.908 134 Q CB 1.959 30.715 28.738 0.031 0.000 1.245 134 Q HN 0.717 nan 8.270 nan 0.000 0.437 135 I N -2.503 118.074 120.570 0.010 0.000 2.969 135 I HA 0.772 4.942 4.170 0.000 0.000 0.307 135 I C -0.596 175.517 176.117 -0.008 0.000 1.149 135 I CA -1.465 59.829 61.300 -0.009 0.000 1.008 135 I CB 2.020 40.057 38.000 0.062 0.000 1.232 135 I HN 0.512 nan 8.210 nan 0.000 0.435 136 A N 4.028 126.840 122.820 -0.014 0.000 2.511 136 A HA 0.323 4.643 4.320 0.000 0.000 0.242 136 A C 0.942 178.572 177.584 0.076 0.000 1.069 136 A CA -0.206 51.853 52.037 0.037 0.000 0.763 136 A CB 0.150 19.170 19.000 0.033 0.000 1.001 136 A HN 0.894 nan 8.150 nan 0.000 0.498 137 L N 2.090 123.385 121.223 0.120 0.000 2.093 137 L HA 0.148 4.488 4.340 0.000 0.000 0.208 137 L C 1.552 178.480 176.870 0.096 0.000 1.085 137 L CA 1.461 56.373 54.840 0.120 0.000 0.755 137 L CB -0.623 41.544 42.059 0.179 0.000 0.904 137 L HN 1.113 nan 8.230 nan 0.000 0.435 138 G N -1.972 106.885 108.800 0.094 0.000 2.278 138 G HA2 -0.048 3.913 3.960 0.000 0.000 0.265 138 G HA3 -0.048 3.913 3.960 0.000 0.000 0.265 138 G C -2.942 171.984 174.900 0.042 0.000 1.329 138 G CA -1.112 44.029 45.100 0.069 0.000 1.017 138 G HN -0.206 nan 8.290 nan 0.000 0.472 139 P HA 0.402 nan 4.420 nan 0.000 0.265 139 P C -0.277 176.991 177.300 -0.054 0.000 1.193 139 P CA -0.024 63.049 63.100 -0.046 0.000 0.765 139 P CB 1.081 32.744 31.700 -0.062 0.000 0.823 140 V N 3.088 122.920 119.914 -0.136 0.000 2.555 140 V HA 0.642 4.762 4.120 0.000 0.000 0.302 140 V C 0.196 176.177 176.094 -0.189 0.000 1.038 140 V CA -0.848 61.345 62.300 -0.178 0.000 0.887 140 V CB 1.788 33.331 31.823 -0.466 0.000 0.991 140 V HN 0.582 nan 8.190 nan 0.000 0.434 141 A N 4.316 127.082 122.820 -0.089 0.000 2.301 141 A HA 0.832 5.152 4.320 0.000 0.000 0.312 141 A C -0.714 176.844 177.584 -0.044 0.000 1.182 141 A CA -0.435 51.553 52.037 -0.082 0.000 0.826 141 A CB 1.131 20.160 19.000 0.049 0.000 1.134 141 A HN 0.701 nan 8.150 nan 0.000 0.501 142 V N 2.404 122.229 119.914 -0.150 0.000 2.588 142 V HA 0.479 4.599 4.120 0.000 0.000 0.304 142 V C -1.352 174.657 176.094 -0.142 0.000 1.042 142 V CA -0.261 62.014 62.300 -0.041 0.000 0.877 142 V CB 1.421 33.200 31.823 -0.073 0.000 0.996 142 V HN 0.728 nan 8.190 nan 0.000 0.425 143 F N 2.648 122.639 119.950 0.068 0.000 2.402 143 F HA 0.705 5.232 4.527 0.000 0.000 0.355 143 F C 0.960 176.765 175.800 0.009 0.000 1.123 143 F CA -0.506 57.523 58.000 0.048 0.000 1.021 143 F CB 1.729 40.800 39.000 0.119 0.000 1.160 143 F HN 0.583 nan 8.300 nan 0.000 0.451 144 G N 1.302 110.216 108.800 0.189 0.000 2.572 144 G HA2 0.539 4.500 3.960 0.000 0.000 0.261 144 G HA3 0.539 4.500 3.960 0.000 0.000 0.261 144 G C -0.672 174.370 174.900 0.237 0.000 1.197 144 G CA -0.580 44.654 45.100 0.223 0.000 0.870 144 G HN 0.846 nan 8.290 nan 0.000 0.548 145 A N 0.014 122.962 122.820 0.213 0.000 2.327 145 A HA 0.515 4.835 4.320 0.000 0.000 0.283 145 A C 1.560 179.186 177.584 0.070 0.000 1.127 145 A CA 0.346 52.451 52.037 0.113 0.000 0.810 145 A CB 0.830 19.877 19.000 0.077 0.000 1.066 145 A HN 1.350 nan 8.150 nan 0.000 0.492 146 S N 1.404 117.021 115.700 -0.138 0.000 2.414 146 S HA -0.136 4.334 4.470 0.000 0.000 0.227 146 S C 1.235 175.764 174.600 -0.119 0.000 1.022 146 S CA 0.989 59.000 58.200 -0.315 0.000 0.958 146 S CB -0.411 62.502 63.200 -0.478 0.000 0.797 146 S HN 0.875 nan 8.310 nan 0.000 0.493 147 N N 0.699 119.371 118.700 -0.047 0.000 2.463 147 N HA 0.031 4.771 4.740 0.000 0.000 0.181 147 N C -0.433 174.929 175.510 -0.245 0.000 1.078 147 N CA 0.303 53.330 53.050 -0.040 0.000 0.902 147 N CB -0.465 38.137 38.487 0.192 0.000 0.970 147 N HN 0.502 nan 8.380 nan 0.000 0.451 148 F N 1.042 120.893 119.950 -0.165 0.000 2.710 148 F HA 0.382 4.909 4.527 0.000 0.000 0.345 148 F C -1.748 174.002 175.800 -0.083 0.000 1.362 148 F CA -2.035 55.895 58.000 -0.117 0.000 1.175 148 F CB 1.806 40.755 39.000 -0.086 0.000 1.561 148 F HN -0.154 nan 8.300 nan 0.000 0.593 149 P HA -0.152 nan 4.420 nan 0.000 0.224 149 P C 0.886 178.045 177.300 -0.236 0.000 1.142 149 P CA 1.546 64.320 63.100 -0.543 0.000 0.778 149 P CB 0.644 31.878 31.700 -0.777 0.000 0.764 150 L N -1.368 119.838 121.223 -0.027 0.000 2.675 150 L HA 0.299 4.639 4.340 0.000 0.000 0.178 150 L C 2.597 179.528 176.870 0.101 0.000 1.135 150 L CA 0.797 55.654 54.840 0.029 0.000 0.855 150 L CB -1.169 40.900 42.059 0.017 0.000 1.235 150 L HN -0.276 nan 8.230 nan 0.000 0.499 151 A N -0.577 122.362 122.820 0.199 0.000 2.119 151 A HA -0.005 4.315 4.320 0.000 0.000 0.217 151 A C 1.114 178.685 177.584 -0.022 0.000 1.153 151 A CA 1.262 53.374 52.037 0.124 0.000 0.692 151 A CB -0.353 18.773 19.000 0.210 0.000 0.799 151 A HN 0.393 nan 8.150 nan 0.000 0.458 152 F N -1.413 118.582 119.950 0.074 0.000 2.835 152 F HA 0.383 4.911 4.527 0.000 0.000 0.342 152 F C 0.982 176.835 175.800 0.089 0.000 1.202 152 F CA -0.009 58.025 58.000 0.057 0.000 1.240 152 F CB 0.368 39.389 39.000 0.034 0.000 1.005 152 F HN 0.140 nan 8.300 nan 0.000 0.507 153 S N -0.580 115.244 115.700 0.206 0.000 4.353 153 S HA 0.686 5.156 4.470 0.000 0.000 0.229 153 S C 1.759 176.452 174.600 0.155 0.000 1.098 153 S CA 0.475 58.799 58.200 0.207 0.000 1.695 153 S CB -0.064 63.289 63.200 0.255 0.000 1.097 153 S HN 0.033 nan 8.310 nan 0.000 0.745 154 A N 0.964 123.888 122.820 0.174 0.000 1.915 154 A HA 0.008 4.328 4.320 0.000 0.000 0.220 154 A C 1.665 179.332 177.584 0.138 0.000 1.198 154 A CA 2.589 54.739 52.037 0.187 0.000 0.647 154 A CB -1.252 17.863 19.000 0.190 0.000 0.825 154 A HN 1.162 nan 8.150 nan 0.000 0.456 155 A N -1.053 121.792 122.820 0.042 0.000 2.637 155 A HA 0.563 4.883 4.320 0.000 0.000 0.293 155 A C 1.053 178.626 177.584 -0.018 0.000 1.216 155 A CA 0.586 52.604 52.037 -0.031 0.000 0.956 155 A CB -0.743 18.204 19.000 -0.088 0.000 1.174 155 A HN 0.822 nan 8.150 nan 0.000 0.525 156 G N -0.909 107.893 108.800 0.003 0.000 2.525 156 G HA2 0.371 4.332 3.960 0.000 0.000 0.276 156 G HA3 0.371 4.332 3.960 0.000 0.000 0.276 156 G C 1.186 176.026 174.900 -0.100 0.000 1.388 156 G CA 0.130 45.199 45.100 -0.053 0.000 1.050 156 G HN 0.522 nan 8.290 nan 0.000 0.520 157 G N -0.724 107.944 108.800 -0.220 0.000 2.442 157 G HA2 -0.184 3.776 3.960 0.000 0.000 0.219 157 G HA3 -0.184 3.776 3.960 0.000 0.000 0.219 157 G C 1.314 176.164 174.900 -0.082 0.000 1.141 157 G CA 1.506 46.513 45.100 -0.155 0.000 0.763 157 G HN 0.480 nan 8.290 nan 0.000 0.554 158 D N 0.051 120.442 120.400 -0.014 0.000 2.097 158 D HA -0.037 4.603 4.640 0.000 0.000 0.197 158 D C 2.776 179.007 176.300 -0.114 0.000 0.984 158 D CA 1.341 55.390 54.000 0.082 0.000 0.826 158 D CB -0.606 40.295 40.800 0.168 0.000 0.973 158 D HN 0.189 nan 8.370 nan 0.000 0.460 159 T N 0.743 115.238 114.554 -0.098 0.000 2.708 159 T HA -0.126 4.224 4.350 0.000 0.000 0.266 159 T C 1.992 176.598 174.700 -0.157 0.000 1.037 159 T CA 1.641 63.676 62.100 -0.108 0.000 1.146 159 T CB -0.370 68.513 68.868 0.026 0.000 0.865 159 T HN 0.179 nan 8.240 nan 0.000 0.435 160 A N 2.017 124.745 122.820 -0.153 0.000 1.865 160 A HA -0.160 4.160 4.320 0.000 0.000 0.217 160 A C 2.608 179.906 177.584 -0.477 0.000 1.191 160 A CA 2.567 54.488 52.037 -0.192 0.000 0.623 160 A CB -1.072 17.899 19.000 -0.049 0.000 0.826 160 A HN 0.625 nan 8.150 nan 0.000 0.444 161 S N 0.069 115.301 115.700 -0.780 0.000 2.383 161 S HA 0.084 4.554 4.470 0.000 0.000 0.227 161 S C 2.084 176.506 174.600 -0.297 0.000 1.026 161 S CA 1.296 58.925 58.200 -0.951 0.000 0.981 161 S CB -0.671 62.104 63.200 -0.708 0.000 0.818 161 S HN 0.907 nan 8.310 nan 0.000 0.472 162 A N 2.272 124.831 122.820 -0.435 0.000 1.873 162 A HA 0.161 4.481 4.320 0.000 0.000 0.215 162 A C 2.327 179.762 177.584 -0.250 0.000 1.186 162 A CA 1.337 52.924 52.037 -0.750 0.000 0.616 162 A CB -0.876 17.422 19.000 -1.170 0.000 0.823 162 A HN 0.516 nan 8.150 nan 0.000 0.442 163 L N -0.753 120.392 121.223 -0.130 0.000 2.046 163 L HA -0.208 4.132 4.340 0.000 0.000 0.208 163 L C 3.125 180.026 176.870 0.052 0.000 1.077 163 L CA 1.104 56.015 54.840 0.119 0.000 0.747 163 L CB -0.650 41.492 42.059 0.138 0.000 0.896 163 L HN 0.450 nan 8.230 nan 0.000 0.432 164 A N 0.180 122.981 122.820 -0.032 0.000 1.908 164 A HA -0.205 4.115 4.320 0.000 0.000 0.218 164 A C 2.496 180.121 177.584 0.069 0.000 1.181 164 A CA 1.816 53.863 52.037 0.017 0.000 0.627 164 A CB -0.692 18.327 19.000 0.031 0.000 0.818 164 A HN 0.421 nan 8.150 nan 0.000 0.445 165 A N -1.927 120.914 122.820 0.036 0.000 2.070 165 A HA 0.328 4.648 4.320 0.000 0.000 0.220 165 A C 1.896 179.434 177.584 -0.076 0.000 1.159 165 A CA 1.665 53.712 52.037 0.018 0.000 0.656 165 A CB -0.867 18.208 19.000 0.125 0.000 0.800 165 A HN 2.020 nan 8.150 nan 0.000 0.453 166 G N -2.825 105.909 108.800 -0.110 0.000 2.145 166 G HA2 -0.153 3.807 3.960 0.000 0.000 0.176 166 G HA3 -0.153 3.807 3.960 0.000 0.000 0.176 166 G C -0.140 174.808 174.900 0.080 0.000 1.013 166 G CA -0.221 44.710 45.100 -0.281 0.000 0.689 166 G HN 0.652 nan 8.290 nan 0.000 0.506 167 C N 0.973 120.391 119.300 0.197 0.000 2.329 167 C HA 0.653 5.113 4.460 0.000 0.000 0.329 167 C C -1.551 173.546 174.990 0.178 0.000 1.275 167 C CA -1.547 57.573 59.018 0.170 0.000 1.726 167 C CB 1.513 29.235 27.740 -0.031 0.000 2.291 167 C HN 0.346 nan 8.230 nan 0.000 0.514 168 P HA 0.304 nan 4.420 nan 0.000 0.272 168 P C -0.909 176.288 177.300 -0.173 0.000 1.223 168 P CA -0.013 62.985 63.100 -0.170 0.000 0.784 168 P CB 0.541 32.132 31.700 -0.182 0.000 0.923 169 V N 3.815 123.604 119.914 -0.209 0.000 2.604 169 V HA 0.434 4.554 4.120 0.000 0.000 0.305 169 V C -0.000 175.849 176.094 -0.409 0.000 1.043 169 V CA -0.449 61.698 62.300 -0.255 0.000 0.888 169 V CB 1.746 33.483 31.823 -0.144 0.000 0.995 169 V HN 0.368 nan 8.190 nan 0.000 0.429 170 I N 4.519 124.859 120.570 -0.384 0.000 2.410 170 I HA 0.426 4.596 4.170 0.000 0.000 0.286 170 I C -0.663 175.204 176.117 -0.416 0.000 1.009 170 I CA -0.736 60.299 61.300 -0.442 0.000 1.111 170 I CB 2.020 39.822 38.000 -0.330 0.000 1.262 170 I HN 0.256 nan 8.210 nan 0.000 0.443 171 V N 6.560 126.185 119.914 -0.483 0.000 2.407 171 V HA 0.270 4.390 4.120 0.000 0.000 0.278 171 V C 0.426 176.319 176.094 -0.334 0.000 1.037 171 V CA -0.670 61.421 62.300 -0.348 0.000 0.900 171 V CB 1.647 33.349 31.823 -0.201 0.000 0.983 171 V HN 0.502 nan 8.190 nan 0.000 0.459 172 K N 4.403 124.525 120.400 -0.462 0.000 2.206 172 K HA 0.289 4.609 4.320 0.000 0.000 0.268 172 K C 0.470 176.916 176.600 -0.257 0.000 1.111 172 K CA -0.224 55.801 56.287 -0.436 0.000 0.955 172 K CB 0.587 32.578 32.500 -0.848 0.000 1.406 172 K HN 0.871 nan 8.250 nan 0.000 0.427 173 G N 3.896 112.619 108.800 -0.129 0.000 2.224 173 G HA2 -0.133 3.827 3.960 0.000 0.000 0.239 173 G HA3 -0.133 3.827 3.960 0.000 0.000 0.239 173 G C -0.050 174.798 174.900 -0.086 0.000 1.240 173 G CA -0.024 45.033 45.100 -0.071 0.000 0.896 173 G HN 0.686 nan 8.290 nan 0.000 0.496 174 H N 1.682 120.617 119.070 -0.225 0.000 2.848 174 H HA 0.035 4.591 4.556 0.000 0.000 0.341 174 H C 1.879 177.031 175.328 -0.293 0.000 1.060 174 H CA 0.905 56.789 56.048 -0.273 0.000 1.444 174 H CB 1.060 30.561 29.762 -0.434 0.000 1.446 174 H HN 0.551 nan 8.280 nan 0.000 0.583 175 T N 0.957 115.485 114.554 -0.042 0.000 3.113 175 T HA 0.027 4.377 4.350 0.000 0.000 0.263 175 T C 1.736 176.542 174.700 0.177 0.000 1.143 175 T CA 0.532 62.677 62.100 0.075 0.000 1.090 175 T CB -0.019 68.806 68.868 -0.071 0.000 0.922 175 T HN 0.509 nan 8.240 nan 0.000 0.521 176 A N 2.106 125.091 122.820 0.275 0.000 2.123 176 A HA 0.100 4.420 4.320 0.000 0.000 0.214 176 A C 1.312 178.934 177.584 0.063 0.000 1.152 176 A CA 0.554 52.664 52.037 0.120 0.000 0.728 176 A CB -0.435 18.580 19.000 0.024 0.000 0.814 176 A HN 0.912 nan 8.150 nan 0.000 0.464 177 H N -3.250 115.835 119.070 0.025 0.000 2.946 177 H HA 0.210 4.766 4.556 0.000 0.000 0.217 177 H C -2.594 172.660 175.328 -0.124 0.000 1.393 177 H CA -0.739 55.280 56.048 -0.048 0.000 1.306 177 H CB -0.235 29.490 29.762 -0.062 0.000 2.062 177 H HN 0.213 nan 8.280 nan 0.000 0.520 178 P HA -0.128 nan 4.420 nan 0.000 0.215 178 P C 1.782 178.659 177.300 -0.706 0.000 1.153 178 P CA 1.971 64.659 63.100 -0.687 0.000 0.853 178 P CB -0.152 30.737 31.700 -1.351 0.000 0.788 179 G N -0.473 108.054 108.800 -0.455 0.000 2.422 179 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 179 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 179 G C 1.552 176.490 174.900 0.063 0.000 1.146 179 G CA 1.434 46.563 45.100 0.048 0.000 0.769 179 G HN 0.208 nan 8.290 nan 0.000 0.547 180 T N 1.291 115.881 114.554 0.060 0.000 2.708 180 T HA -0.104 4.246 4.350 0.000 0.000 0.266 180 T C 2.861 177.611 174.700 0.084 0.000 1.037 180 T CA 1.549 63.693 62.100 0.073 0.000 1.146 180 T CB -0.330 68.570 68.868 0.054 0.000 0.865 180 T HN 0.264 nan 8.240 nan 0.000 0.435 181 S N 1.182 116.955 115.700 0.121 0.000 2.359 181 S HA -0.193 4.277 4.470 0.000 0.000 0.224 181 S C 2.147 176.799 174.600 0.086 0.000 1.035 181 S CA 1.239 59.509 58.200 0.116 0.000 1.018 181 S CB -0.424 62.831 63.200 0.092 0.000 0.876 181 S HN 0.508 nan 8.310 nan 0.000 0.448 182 Q N 0.486 120.320 119.800 0.057 0.000 2.096 182 Q HA -0.123 4.217 4.340 0.000 0.000 0.204 182 Q C 2.105 178.161 176.000 0.093 0.000 0.982 182 Q CA 1.410 57.275 55.803 0.102 0.000 0.850 182 Q CB -0.251 28.591 28.738 0.173 0.000 0.901 182 Q HN 0.547 nan 8.270 nan 0.000 0.422 183 I N -0.198 120.419 120.570 0.080 0.000 2.226 183 I HA -0.269 3.902 4.170 0.000 0.000 0.245 183 I C 2.246 178.379 176.117 0.026 0.000 1.100 183 I CA 0.751 62.083 61.300 0.054 0.000 1.374 183 I CB -0.227 37.804 38.000 0.051 0.000 1.057 183 I HN 0.088 nan 8.210 nan 0.000 0.413 184 V N 1.097 121.026 119.914 0.024 0.000 2.343 184 V HA -0.303 3.817 4.120 0.000 0.000 0.247 184 V C 2.706 178.762 176.094 -0.063 0.000 1.051 184 V CA 2.022 64.310 62.300 -0.021 0.000 1.036 184 V CB -0.955 30.865 31.823 -0.004 0.000 0.654 184 V HN 0.509 nan 8.190 nan 0.000 0.451 185 A N -0.632 122.200 122.820 0.021 0.000 1.969 185 A HA -0.229 4.091 4.320 0.000 0.000 0.218 185 A C 2.164 179.760 177.584 0.021 0.000 1.169 185 A CA 1.764 53.844 52.037 0.071 0.000 0.635 185 A CB -0.418 18.724 19.000 0.237 0.000 0.810 185 A HN 0.619 nan 8.150 nan 0.000 0.445 186 E N -0.956 119.259 120.200 0.024 0.000 2.150 186 E HA -0.148 4.202 4.350 0.000 0.000 0.193 186 E C 1.986 178.573 176.600 -0.021 0.000 0.985 186 E CA 1.137 57.546 56.400 0.015 0.000 0.814 186 E CB -0.296 29.419 29.700 0.026 0.000 0.752 186 E HN 0.695 nan 8.360 nan 0.000 0.466 187 C N 0.401 119.673 119.300 -0.047 0.000 2.453 187 C HA -0.086 4.374 4.460 0.000 0.000 0.277 187 C C 2.520 177.445 174.990 -0.107 0.000 1.262 187 C CA 0.344 59.322 59.018 -0.067 0.000 1.718 187 C CB -0.688 27.009 27.740 -0.072 0.000 2.031 187 C HN 0.414 nan 8.230 nan 0.000 0.480 188 I N 0.965 121.418 120.570 -0.194 0.000 2.286 188 I HA -0.209 3.961 4.170 0.000 0.000 0.248 188 I C 2.654 178.684 176.117 -0.145 0.000 1.115 188 I CA 1.709 62.844 61.300 -0.274 0.000 1.392 188 I CB -0.680 36.912 38.000 -0.680 0.000 1.065 188 I HN 0.504 nan 8.210 nan 0.000 0.418 189 E N 0.835 120.989 120.200 -0.076 0.000 2.077 189 E HA -0.276 4.075 4.350 0.000 0.000 0.193 189 E C 2.244 178.832 176.600 -0.021 0.000 0.989 189 E CA 1.177 57.569 56.400 -0.014 0.000 0.800 189 E CB 0.042 29.752 29.700 0.018 0.000 0.746 189 E HN 0.379 nan 8.360 nan 0.000 0.452 190 Q N 0.071 119.855 119.800 -0.027 0.000 2.084 190 Q HA -0.112 4.229 4.340 0.000 0.000 0.202 190 Q C 2.124 178.110 176.000 -0.022 0.000 0.978 190 Q CA 1.424 57.215 55.803 -0.019 0.000 0.844 190 Q CB -0.347 28.380 28.738 -0.018 0.000 0.898 190 Q HN 0.418 nan 8.270 nan 0.000 0.426 191 A N 0.645 123.442 122.820 -0.037 0.000 1.908 191 A HA -0.160 4.160 4.320 0.000 0.000 0.218 191 A C 2.243 179.817 177.584 -0.016 0.000 1.181 191 A CA 1.203 53.221 52.037 -0.031 0.000 0.627 191 A CB -0.751 18.219 19.000 -0.050 0.000 0.818 191 A HN 0.351 nan 8.150 nan 0.000 0.445 192 L N -0.893 120.317 121.223 -0.022 0.000 2.083 192 L HA -0.190 4.150 4.340 0.000 0.000 0.209 192 L C 2.582 179.452 176.870 0.000 0.000 1.083 192 L CA 1.569 56.405 54.840 -0.008 0.000 0.752 192 L CB -0.359 41.690 42.059 -0.016 0.000 0.899 192 L HN 0.360 nan 8.230 nan 0.000 0.433 193 K N -0.391 120.007 120.400 -0.003 0.000 2.057 193 K HA -0.184 4.136 4.320 0.000 0.000 0.206 193 K C 2.176 178.779 176.600 0.004 0.000 1.050 193 K CA 1.272 57.560 56.287 0.001 0.000 0.935 193 K CB -0.101 32.399 32.500 -0.001 0.000 0.715 193 K HN 0.369 nan 8.250 nan 0.000 0.439 194 Q N 0.467 120.268 119.800 0.002 0.000 2.084 194 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 194 Q C 1.628 177.635 176.000 0.011 0.000 0.978 194 Q CA 1.016 56.822 55.803 0.005 0.000 0.844 194 Q CB 0.146 28.884 28.738 0.001 0.000 0.898 194 Q HN 0.236 nan 8.270 nan 0.000 0.426 195 E N 0.535 120.744 120.200 0.015 0.000 2.482 195 E HA -0.075 4.275 4.350 0.000 0.000 0.196 195 E C -0.234 176.384 176.600 0.029 0.000 1.047 195 E CA 0.237 56.652 56.400 0.026 0.000 0.869 195 E CB 0.162 29.885 29.700 0.038 0.000 0.836 195 E HN 0.344 nan 8.360 nan 0.000 0.520 196 Q N 0.005 119.818 119.800 0.021 0.000 2.460 196 Q HA -0.191 4.149 4.340 0.000 0.000 0.311 196 Q C -0.656 175.361 176.000 0.029 0.000 1.396 196 Q CA 0.373 56.189 55.803 0.020 0.000 0.838 196 Q CB -1.754 26.996 28.738 0.020 0.000 1.140 196 Q HN 0.237 nan 8.270 nan 0.000 0.415 197 L N -0.405 120.834 121.223 0.027 0.000 2.323 197 L HA 0.636 4.976 4.340 0.000 0.000 0.265 197 L C -2.078 174.793 176.870 0.001 0.000 1.012 197 L CA -2.568 52.291 54.840 0.033 0.000 0.820 197 L CB 1.481 43.576 42.059 0.061 0.000 1.334 197 L HN -0.104 nan 8.230 nan 0.000 0.427 198 P HA 0.008 nan 4.420 nan 0.000 0.264 198 P C -0.072 177.192 177.300 -0.061 0.000 1.193 198 P CA -0.190 62.888 63.100 -0.037 0.000 0.763 198 P CB 0.501 32.174 31.700 -0.045 0.000 0.810 199 Q N 2.691 122.465 119.800 -0.043 0.000 2.226 199 Q HA -0.137 4.203 4.340 0.000 0.000 0.204 199 Q C 1.867 177.832 176.000 -0.059 0.000 0.975 199 Q CA 1.659 57.442 55.803 -0.033 0.000 0.866 199 Q CB -0.773 27.955 28.738 -0.018 0.000 0.915 199 Q HN 0.584 nan 8.270 nan 0.000 0.440 200 A N 0.386 123.152 122.820 -0.090 0.000 2.259 200 A HA -0.078 4.242 4.320 0.000 0.000 0.212 200 A C 1.964 179.436 177.584 -0.187 0.000 1.178 200 A CA 0.385 52.346 52.037 -0.127 0.000 0.734 200 A CB -0.653 18.279 19.000 -0.112 0.000 0.774 200 A HN 0.305 nan 8.150 nan 0.000 0.481 201 I N -2.343 118.091 120.570 -0.227 0.000 2.394 201 I HA -0.066 4.104 4.170 0.000 0.000 0.251 201 I C 0.531 176.506 176.117 -0.236 0.000 1.136 201 I CA 0.905 61.957 61.300 -0.413 0.000 1.425 201 I CB 0.050 37.696 38.000 -0.589 0.000 1.079 201 I HN 0.430 nan 8.210 nan 0.000 0.425 202 F N 0.218 120.018 119.950 -0.251 0.000 2.573 202 F HA 0.401 4.928 4.527 0.000 0.000 0.316 202 F C -0.796 174.917 175.800 -0.145 0.000 1.148 202 F CA -0.418 57.469 58.000 -0.189 0.000 0.940 202 F CB 1.539 40.447 39.000 -0.153 0.000 1.214 202 F HN -0.394 nan 8.300 nan 0.000 0.448 203 T N 7.101 121.137 114.554 -0.863 0.000 2.881 203 T HA 0.513 4.863 4.350 0.000 0.000 0.290 203 T C -1.558 172.693 174.700 -0.749 0.000 1.000 203 T CA -0.492 61.258 62.100 -0.583 0.000 0.978 203 T CB 1.628 70.275 68.868 -0.369 0.000 0.997 203 T HN 0.600 nan 8.240 nan 0.000 0.443 204 L N 4.401 125.396 121.223 -0.381 0.000 2.296 204 L HA 0.689 5.029 4.340 0.000 0.000 0.286 204 L C -1.353 175.470 176.870 -0.079 0.000 1.023 204 L CA -0.461 54.255 54.840 -0.206 0.000 0.812 204 L CB 0.497 42.589 42.059 0.056 0.000 1.223 204 L HN 0.606 nan 8.230 nan 0.000 0.421 205 L N 4.727 125.908 121.223 -0.069 0.000 2.330 205 L HA 0.628 4.969 4.340 0.000 0.000 0.271 205 L C -0.448 176.529 176.870 0.178 0.000 1.013 205 L CA -0.757 54.151 54.840 0.114 0.000 0.816 205 L CB 1.859 43.899 42.059 -0.032 0.000 1.287 205 L HN 0.587 nan 8.230 nan 0.000 0.435 206 Q N 1.280 121.275 119.800 0.326 0.000 2.423 206 Q HA 0.783 5.123 4.340 0.000 0.000 0.278 206 Q C -0.694 175.329 176.000 0.038 0.000 1.097 206 Q CA -0.822 55.044 55.803 0.106 0.000 0.809 206 Q CB 3.223 32.019 28.738 0.096 0.000 1.391 206 Q HN 0.832 nan 8.270 nan 0.000 0.428 207 G N 1.332 110.114 108.800 -0.030 0.000 2.378 207 G HA2 0.068 4.028 3.960 0.000 0.000 0.302 207 G HA3 0.068 4.028 3.960 0.000 0.000 0.302 207 G C -0.629 173.926 174.900 -0.576 0.000 1.669 207 G CA -0.673 44.254 45.100 -0.289 0.000 0.920 207 G HN 0.593 nan 8.290 nan 0.000 0.697 208 N N -0.198 118.022 118.700 -0.800 0.000 2.251 208 N HA 0.067 4.808 4.740 0.000 0.000 0.217 208 N C 0.116 175.460 175.510 -0.277 0.000 1.124 208 N CA -0.066 52.625 53.050 -0.598 0.000 0.843 208 N CB 0.732 38.782 38.487 -0.727 0.000 1.024 208 N HN 0.621 nan 8.380 nan 0.000 0.501 209 Q N 0.584 120.266 119.800 -0.196 0.000 2.347 209 Q HA 0.344 4.685 4.340 0.000 0.000 0.262 209 Q C 0.389 176.359 176.000 -0.050 0.000 0.980 209 Q CA -0.812 54.935 55.803 -0.094 0.000 0.867 209 Q CB 1.715 30.415 28.738 -0.062 0.000 1.242 209 Q HN -0.034 nan 8.270 nan 0.000 0.453 210 R N 1.335 121.818 120.500 -0.029 0.000 2.211 210 R HA -0.180 4.160 4.340 0.000 0.000 0.240 210 R C 1.657 177.977 176.300 0.033 0.000 1.144 210 R CA 1.201 57.307 56.100 0.010 0.000 0.992 210 R CB -0.803 29.502 30.300 0.008 0.000 0.869 210 R HN 0.711 nan 8.270 nan 0.000 0.462 211 A N 1.180 124.011 122.820 0.019 0.000 1.978 211 A HA -0.171 4.149 4.320 0.000 0.000 0.220 211 A C 2.163 179.776 177.584 0.048 0.000 1.170 211 A CA 1.203 53.257 52.037 0.029 0.000 0.636 211 A CB -0.434 18.577 19.000 0.018 0.000 0.810 211 A HN 0.244 nan 8.150 nan 0.000 0.448 212 L N 0.094 121.344 121.223 0.046 0.000 1.970 212 L HA -0.052 4.288 4.340 0.000 0.000 0.212 212 L C 2.432 179.365 176.870 0.104 0.000 1.071 212 L CA 2.623 57.498 54.840 0.058 0.000 0.751 212 L CB -1.276 40.805 42.059 0.037 0.000 0.889 212 L HN 0.279 nan 8.230 nan 0.000 0.432 213 G N -1.665 107.239 108.800 0.173 0.000 2.442 213 G HA2 -0.292 3.669 3.960 0.000 0.000 0.219 213 G HA3 -0.292 3.669 3.960 0.000 0.000 0.219 213 G C 1.480 176.567 174.900 0.311 0.000 1.141 213 G CA 0.876 46.205 45.100 0.381 0.000 0.763 213 G HN 0.569 nan 8.290 nan 0.000 0.554 214 Q N 0.053 119.952 119.800 0.166 0.000 2.079 214 Q HA 0.086 4.426 4.340 0.000 0.000 0.200 214 Q C 2.972 179.034 176.000 0.103 0.000 0.974 214 Q CA 1.317 57.184 55.803 0.106 0.000 0.840 214 Q CB -0.226 28.544 28.738 0.055 0.000 0.898 214 Q HN 0.480 nan 8.270 nan 0.000 0.430 215 A N 0.440 123.318 122.820 0.097 0.000 1.930 215 A HA -0.139 4.181 4.320 0.000 0.000 0.217 215 A C 1.979 179.639 177.584 0.126 0.000 1.175 215 A CA 0.918 53.010 52.037 0.091 0.000 0.627 215 A CB -0.482 18.563 19.000 0.075 0.000 0.815 215 A HN 0.349 nan 8.150 nan 0.000 0.443 216 L N -0.118 121.184 121.223 0.132 0.000 2.027 216 L HA -0.071 4.269 4.340 0.000 0.000 0.206 216 L C 2.322 179.298 176.870 0.175 0.000 1.074 216 L CA 1.867 56.779 54.840 0.119 0.000 0.745 216 L CB -0.580 41.518 42.059 0.066 0.000 0.898 216 L HN 0.129 nan 8.230 nan 0.000 0.433 217 V N -0.864 119.193 119.914 0.238 0.000 2.594 217 V HA -0.201 3.920 4.120 0.000 0.000 0.253 217 V C 2.313 178.486 176.094 0.131 0.000 1.069 217 V CA 1.800 64.237 62.300 0.228 0.000 1.082 217 V CB -0.441 31.529 31.823 0.246 0.000 0.680 217 V HN 0.510 nan 8.190 nan 0.000 0.469 218 S N -2.474 113.287 115.700 0.101 0.000 2.548 218 S HA 0.051 4.521 4.470 0.000 0.000 0.215 218 S C 0.875 175.497 174.600 0.036 0.000 0.976 218 S CA -0.243 57.983 58.200 0.043 0.000 0.908 218 S CB -0.286 62.923 63.200 0.015 0.000 0.781 218 S HN 0.638 nan 8.310 nan 0.000 0.519 219 H N 4.011 123.088 119.070 0.011 0.000 3.004 219 H HA 0.051 4.608 4.556 0.000 0.000 0.316 219 H C -1.686 173.637 175.328 -0.008 0.000 1.014 219 H CA -1.093 54.954 56.048 -0.003 0.000 1.454 219 H CB 1.203 30.959 29.762 -0.009 0.000 1.472 219 H HN 0.067 nan 8.280 nan 0.000 0.571 220 P HA -0.140 nan 4.420 nan 0.000 0.221 220 P C 0.694 178.049 177.300 0.091 0.000 1.145 220 P CA 0.979 64.046 63.100 -0.054 0.000 0.795 220 P CB 0.508 32.125 31.700 -0.139 0.000 0.775 221 E N -0.758 119.638 120.200 0.327 0.000 2.442 221 E HA 0.069 4.419 4.350 0.000 0.000 0.195 221 E C 0.959 177.628 176.600 0.114 0.000 1.030 221 E CA 0.026 56.551 56.400 0.209 0.000 0.869 221 E CB -0.002 29.813 29.700 0.193 0.000 0.857 221 E HN 0.291 nan 8.360 nan 0.000 0.505 222 I N 1.724 122.374 120.570 0.134 0.000 2.441 222 I HA 0.017 4.187 4.170 0.000 0.000 0.287 222 I C 1.230 177.389 176.117 0.070 0.000 1.049 222 I CA 0.112 61.453 61.300 0.069 0.000 1.381 222 I CB 0.979 39.028 38.000 0.082 0.000 1.409 222 I HN -0.230 nan 8.210 nan 0.000 0.523 223 K N 4.315 124.756 120.400 0.069 0.000 2.402 223 K HA 0.525 4.845 4.320 0.000 0.000 0.204 223 K C -0.123 176.557 176.600 0.132 0.000 1.056 223 K CA 0.039 56.377 56.287 0.084 0.000 1.069 223 K CB 1.195 33.745 32.500 0.084 0.000 0.888 223 K HN 0.685 nan 8.250 nan 0.000 0.546 224 A N -0.033 122.888 122.820 0.169 0.000 2.583 224 A HA 0.598 4.918 4.320 0.000 0.000 0.292 224 A C -1.565 176.188 177.584 0.281 0.000 1.045 224 A CA -0.615 51.598 52.037 0.293 0.000 0.672 224 A CB 1.244 20.590 19.000 0.576 0.000 1.283 224 A HN -0.145 nan 8.150 nan 0.000 0.419 225 V N 0.146 120.245 119.914 0.308 0.000 2.760 225 V HA 0.794 4.915 4.120 0.000 0.000 0.309 225 V C 0.479 176.704 176.094 0.218 0.000 1.077 225 V CA -0.024 62.371 62.300 0.159 0.000 0.910 225 V CB 2.150 33.931 31.823 -0.071 0.000 1.008 225 V HN 1.661 nan 8.190 nan 0.000 0.424 226 G N 2.432 111.411 108.800 0.297 0.000 2.417 226 G HA2 0.725 4.685 3.960 0.000 0.000 0.320 226 G HA3 0.725 4.685 3.960 0.000 0.000 0.320 226 G C -1.656 173.448 174.900 0.340 0.000 1.204 226 G CA -0.391 44.953 45.100 0.405 0.000 0.923 226 G HN 0.565 nan 8.290 nan 0.000 0.466 227 F N 1.645 121.661 119.950 0.110 0.000 2.581 227 F HA 0.704 5.231 4.527 0.000 0.000 0.311 227 F C -0.707 175.226 175.800 0.222 0.000 1.113 227 F CA -0.583 57.511 58.000 0.157 0.000 0.935 227 F CB 2.562 41.553 39.000 -0.015 0.000 1.232 227 F HN 0.407 nan 8.300 nan 0.000 0.445 228 T N 4.285 118.572 114.554 -0.444 0.000 2.949 228 T HA 0.775 5.125 4.350 0.000 0.000 0.300 228 T C -0.264 174.094 174.700 -0.570 0.000 0.988 228 T CA -0.297 61.675 62.100 -0.214 0.000 0.993 228 T CB 1.090 69.987 68.868 0.049 0.000 0.984 228 T HN 1.141 nan 8.240 nan 0.000 0.442 229 G N 1.842 110.478 108.800 -0.274 0.000 2.392 229 G HA2 0.486 4.446 3.960 0.000 0.000 0.260 229 G HA3 0.486 4.446 3.960 0.000 0.000 0.260 229 G C -0.626 174.378 174.900 0.173 0.000 1.226 229 G CA -0.284 44.740 45.100 -0.127 0.000 0.913 229 G HN 0.922 nan 8.290 nan 0.000 0.483 230 S N -0.583 115.235 115.700 0.196 0.000 2.572 230 S HA 0.343 4.813 4.470 0.000 0.000 0.279 230 S C 1.457 176.162 174.600 0.176 0.000 1.341 230 S CA 0.379 58.664 58.200 0.142 0.000 1.043 230 S CB 1.641 64.899 63.200 0.096 0.000 0.887 230 S HN 1.792 nan 8.310 nan 0.000 0.516 231 V N 3.622 123.583 119.914 0.078 0.000 2.407 231 V HA 0.010 4.130 4.120 0.000 0.000 0.248 231 V C 2.213 178.313 176.094 0.010 0.000 1.055 231 V CA 2.636 64.946 62.300 0.017 0.000 1.049 231 V CB -1.439 30.369 31.823 -0.026 0.000 0.662 231 V HN 1.089 nan 8.190 nan 0.000 0.455 232 G N -0.420 108.397 108.800 0.029 0.000 2.453 232 G HA2 -0.166 3.794 3.960 0.000 0.000 0.215 232 G HA3 -0.166 3.794 3.960 0.000 0.000 0.215 232 G C 1.581 176.473 174.900 -0.014 0.000 1.201 232 G CA 0.840 45.948 45.100 0.014 0.000 0.784 232 G HN 0.674 nan 8.290 nan 0.000 0.545 233 G N 0.515 109.322 108.800 0.011 0.000 2.403 233 G HA2 0.145 4.105 3.960 0.000 0.000 0.216 233 G HA3 0.145 4.105 3.960 0.000 0.000 0.216 233 G C 1.765 176.523 174.900 -0.236 0.000 1.154 233 G CA 1.310 46.390 45.100 -0.033 0.000 0.784 233 G HN 0.614 nan 8.290 nan 0.000 0.538 234 G N 0.789 109.419 108.800 -0.283 0.000 2.446 234 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 234 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 234 G C 1.888 176.516 174.900 -0.453 0.000 1.168 234 G CA 1.198 45.846 45.100 -0.754 0.000 0.771 234 G HN 0.433 nan 8.290 nan 0.000 0.551 235 R N 1.225 121.601 120.500 -0.208 0.000 2.115 235 R HA 0.189 4.530 4.340 0.000 0.000 0.230 235 R C 2.674 178.902 176.300 -0.120 0.000 1.111 235 R CA 1.633 57.663 56.100 -0.117 0.000 0.976 235 R CB -0.895 29.404 30.300 -0.001 0.000 0.870 235 R HN 0.244 nan 8.270 nan 0.000 0.445 236 A N 0.450 123.182 122.820 -0.147 0.000 1.877 236 A HA -0.072 4.248 4.320 0.000 0.000 0.216 236 A C 2.226 179.693 177.584 -0.194 0.000 1.186 236 A CA 1.443 53.404 52.037 -0.127 0.000 0.620 236 A CB -0.580 18.362 19.000 -0.096 0.000 0.822 236 A HN 0.347 nan 8.150 nan 0.000 0.443 237 L N -1.986 119.053 121.223 -0.308 0.000 2.141 237 L HA -0.111 4.229 4.340 0.000 0.000 0.209 237 L C 2.450 178.964 176.870 -0.594 0.000 1.094 237 L CA 1.286 55.928 54.840 -0.329 0.000 0.763 237 L CB -0.496 41.376 42.059 -0.312 0.000 0.908 237 L HN 0.542 nan 8.230 nan 0.000 0.437 238 F N 1.532 120.791 119.950 -1.152 0.000 2.075 238 F HA -0.225 4.302 4.527 0.000 0.000 0.297 238 F C 2.375 177.921 175.800 -0.423 0.000 1.113 238 F CA 1.678 58.894 58.000 -1.307 0.000 1.218 238 F CB -0.293 38.137 39.000 -0.951 0.000 0.984 238 F HN 0.093 nan 8.300 nan 0.000 0.472 239 N N 0.835 119.410 118.700 -0.209 0.000 2.149 239 N HA -0.192 4.548 4.740 0.000 0.000 0.188 239 N C 1.862 177.254 175.510 -0.196 0.000 1.019 239 N CA 1.415 54.364 53.050 -0.167 0.000 0.857 239 N CB -0.776 37.681 38.487 -0.049 0.000 0.997 239 N HN 0.314 nan 8.380 nan 0.000 0.426 240 L N 1.057 122.166 121.223 -0.191 0.000 2.083 240 L HA -0.005 4.335 4.340 0.000 0.000 0.209 240 L C 2.076 178.849 176.870 -0.162 0.000 1.083 240 L CA 1.228 55.987 54.840 -0.136 0.000 0.752 240 L CB -0.856 41.148 42.059 -0.092 0.000 0.899 240 L HN 0.129 nan 8.230 nan 0.000 0.433 241 A N -1.924 120.754 122.820 -0.236 0.000 2.015 241 A HA -0.194 4.126 4.320 0.000 0.000 0.219 241 A C 1.666 178.921 177.584 -0.548 0.000 1.163 241 A CA 1.502 53.367 52.037 -0.287 0.000 0.646 241 A CB -0.796 18.095 19.000 -0.182 0.000 0.806 241 A HN 0.636 nan 8.150 nan 0.000 0.448 242 H N -0.966 117.879 119.070 -0.376 0.000 2.586 242 H HA 0.248 4.804 4.556 0.000 0.000 0.273 242 H C 1.156 176.368 175.328 -0.194 0.000 0.997 242 H CA 0.519 56.379 56.048 -0.313 0.000 1.177 242 H CB 0.406 29.895 29.762 -0.455 0.000 1.471 242 H HN 0.620 nan 8.280 nan 0.000 0.538 243 E N 0.214 120.344 120.200 -0.116 0.000 2.476 243 E HA 0.103 4.453 4.350 0.000 0.000 0.199 243 E C 0.258 176.811 176.600 -0.080 0.000 1.021 243 E CA -0.180 56.173 56.400 -0.078 0.000 0.907 243 E CB 0.622 30.280 29.700 -0.069 0.000 0.974 243 E HN 0.289 nan 8.360 nan 0.000 0.489 244 R N 1.386 121.822 120.500 -0.106 0.000 2.756 244 R HA -0.012 4.328 4.340 0.000 0.000 0.264 244 R C -1.629 174.626 176.300 -0.074 0.000 1.026 244 R CA -0.850 55.197 56.100 -0.089 0.000 1.121 244 R CB -0.107 30.131 30.300 -0.103 0.000 0.999 244 R HN -0.092 nan 8.270 nan 0.000 0.449 245 P HA -0.188 nan 4.420 nan 0.000 0.216 245 P C -0.350 176.921 177.300 -0.049 0.000 1.150 245 P CA 1.363 64.433 63.100 -0.049 0.000 0.837 245 P CB 0.224 31.896 31.700 -0.046 0.000 0.786 246 E N -0.300 119.866 120.200 -0.056 0.000 2.183 246 E HA 0.267 4.617 4.350 0.000 0.000 0.250 246 E C -2.564 173.984 176.600 -0.088 0.000 0.901 246 E CA -2.888 53.480 56.400 -0.054 0.000 0.741 246 E CB 0.811 30.489 29.700 -0.037 0.000 1.182 246 E HN -0.008 nan 8.360 nan 0.000 0.425 247 P HA 0.054 nan 4.420 nan 0.000 0.266 247 P C -0.641 176.531 177.300 -0.213 0.000 1.195 247 P CA 0.303 63.270 63.100 -0.222 0.000 0.768 247 P CB 0.367 31.975 31.700 -0.153 0.000 0.838 248 I N -0.163 120.215 120.570 -0.321 0.000 2.689 248 I HA 0.653 4.823 4.170 0.000 0.000 0.299 248 I C -2.800 173.201 176.117 -0.194 0.000 1.059 248 I CA -3.569 57.631 61.300 -0.166 0.000 1.055 248 I CB 2.133 40.099 38.000 -0.056 0.000 1.243 248 I HN 0.046 nan 8.210 nan 0.000 0.425 249 P HA 0.105 nan 4.420 nan 0.000 0.265 249 P C -1.310 175.886 177.300 -0.173 0.000 1.193 249 P CA 0.458 63.436 63.100 -0.202 0.000 0.765 249 P CB 0.113 31.660 31.700 -0.255 0.000 0.823 250 F N 4.139 123.892 119.950 -0.328 0.000 2.553 250 F HA 0.387 4.915 4.527 0.000 0.000 0.335 250 F C -1.226 174.507 175.800 -0.113 0.000 1.148 250 F CA -0.862 57.105 58.000 -0.054 0.000 0.963 250 F CB 0.787 39.913 39.000 0.211 0.000 1.217 250 F HN 0.213 nan 8.300 nan 0.000 0.441 251 Y N 4.559 124.922 120.300 0.105 0.000 2.700 251 Y HA 0.570 5.121 4.550 0.000 0.000 0.333 251 Y C 0.617 176.643 175.900 0.209 0.000 1.036 251 Y CA -1.008 57.201 58.100 0.181 0.000 1.287 251 Y CB 1.220 39.706 38.460 0.044 0.000 1.132 251 Y HN 0.685 nan 8.280 nan 0.000 0.510 252 G N 1.812 110.910 108.800 0.497 0.000 2.530 252 G HA2 0.534 4.494 3.960 0.000 0.000 0.316 252 G HA3 0.534 4.494 3.960 0.000 0.000 0.316 252 G C -1.125 174.027 174.900 0.421 0.000 1.298 252 G CA -0.830 44.608 45.100 0.563 0.000 0.948 252 G HN 0.336 nan 8.290 nan 0.000 0.486 253 E N 1.948 122.378 120.200 0.384 0.000 2.081 253 E HA 0.312 4.662 4.350 0.000 0.000 0.281 253 E C 0.947 177.681 176.600 0.224 0.000 0.986 253 E CA -0.333 56.203 56.400 0.228 0.000 0.796 253 E CB 1.590 31.408 29.700 0.197 0.000 1.085 253 E HN 0.374 nan 8.360 nan 0.000 0.398 254 L N 1.491 122.783 121.223 0.116 0.000 2.513 254 L HA 0.453 4.793 4.340 0.000 0.000 0.222 254 L C 0.916 177.804 176.870 0.031 0.000 1.096 254 L CA 0.079 54.969 54.840 0.083 0.000 0.857 254 L CB 0.023 42.044 42.059 -0.062 0.000 1.026 254 L HN 0.613 nan 8.230 nan 0.000 0.469 255 G N -0.104 108.707 108.800 0.017 0.000 2.347 255 G HA2 0.465 4.425 3.960 0.000 0.000 0.321 255 G HA3 0.465 4.425 3.960 0.000 0.000 0.321 255 G C -1.869 173.057 174.900 0.044 0.000 1.412 255 G CA -0.191 44.938 45.100 0.049 0.000 0.990 255 G HN 0.272 nan 8.290 nan 0.000 0.637 256 A N -0.915 121.964 122.820 0.098 0.000 2.567 256 A HA 0.761 5.081 4.320 0.000 0.000 0.291 256 A C 0.333 178.009 177.584 0.155 0.000 1.048 256 A CA 0.070 52.172 52.037 0.109 0.000 0.661 256 A CB 0.418 19.475 19.000 0.094 0.000 1.288 256 A HN 2.211 nan 8.150 nan 0.000 0.424 257 I N -2.110 118.561 120.570 0.169 0.000 4.082 257 I HA 0.266 4.436 4.170 0.000 0.000 0.337 257 I C -0.054 176.169 176.117 0.176 0.000 1.352 257 I CA -0.198 61.212 61.300 0.183 0.000 1.097 257 I CB -0.089 38.036 38.000 0.208 0.000 1.048 257 I HN 0.501 nan 8.210 nan 0.000 0.393 258 N N 3.029 121.835 118.700 0.178 0.000 2.629 258 N HA -0.109 4.631 4.740 0.000 0.000 0.278 258 N C -2.172 173.445 175.510 0.179 0.000 1.102 258 N CA 0.537 53.696 53.050 0.183 0.000 0.759 258 N CB -1.060 37.544 38.487 0.194 0.000 0.911 258 N HN 0.428 nan 8.380 nan 0.000 0.553 259 P HA -0.006 nan 4.420 nan 0.000 0.264 259 P C -0.275 177.106 177.300 0.134 0.000 1.183 259 P CA 0.601 63.796 63.100 0.160 0.000 0.763 259 P CB 0.675 32.572 31.700 0.328 0.000 0.807 260 T N 3.950 118.474 114.554 -0.050 0.000 2.841 260 T HA 0.502 4.852 4.350 0.000 0.000 0.285 260 T C -0.586 174.006 174.700 -0.180 0.000 0.991 260 T CA -0.096 62.012 62.100 0.013 0.000 0.966 260 T CB 0.332 69.249 68.868 0.082 0.000 0.962 260 T HN 0.087 nan 8.240 nan 0.000 0.438 261 F N 2.966 122.951 119.950 0.058 0.000 2.426 261 F HA 0.595 5.122 4.527 0.000 0.000 0.348 261 F C 0.197 175.972 175.800 -0.041 0.000 1.124 261 F CA -1.161 56.839 58.000 0.000 0.000 1.008 261 F CB 0.960 39.958 39.000 -0.003 0.000 1.139 261 F HN 0.331 nan 8.300 nan 0.000 0.452 262 I N 4.403 124.945 120.570 -0.047 0.000 2.382 262 I HA 0.311 4.481 4.170 0.000 0.000 0.286 262 I C -0.770 175.258 176.117 -0.148 0.000 1.002 262 I CA -0.595 60.665 61.300 -0.066 0.000 1.135 262 I CB 1.116 38.949 38.000 -0.278 0.000 1.288 262 I HN 0.343 nan 8.210 nan 0.000 0.448 263 F N 7.174 127.113 119.950 -0.018 0.000 2.371 263 F HA 0.315 4.842 4.527 0.000 0.000 0.329 263 F C -1.296 174.479 175.800 -0.040 0.000 1.107 263 F CA -1.622 56.372 58.000 -0.010 0.000 1.137 263 F CB 0.323 39.339 39.000 0.027 0.000 1.214 263 F HN 0.312 nan 8.300 nan 0.000 0.536 264 P HA -0.216 nan 4.420 nan 0.000 0.216 264 P C 1.635 178.981 177.300 0.076 0.000 1.153 264 P CA 2.357 65.495 63.100 0.063 0.000 0.858 264 P CB -0.009 31.728 31.700 0.062 0.000 0.789 265 S N -0.665 115.099 115.700 0.107 0.000 2.399 265 S HA -0.153 4.317 4.470 0.000 0.000 0.231 265 S C 2.068 176.706 174.600 0.064 0.000 1.022 265 S CA 1.252 59.493 58.200 0.068 0.000 0.983 265 S CB -1.392 61.836 63.200 0.047 0.000 0.803 265 S HN 0.122 nan 8.310 nan 0.000 0.480 266 A N 1.985 124.857 122.820 0.087 0.000 1.930 266 A HA 0.141 4.462 4.320 0.000 0.000 0.217 266 A C 2.351 179.967 177.584 0.054 0.000 1.175 266 A CA 1.530 53.609 52.037 0.071 0.000 0.627 266 A CB -0.741 18.316 19.000 0.094 0.000 0.815 266 A HN 0.605 nan 8.150 nan 0.000 0.443 267 M N -1.162 118.461 119.600 0.039 0.000 2.296 267 M HA -0.103 4.377 4.480 0.000 0.000 0.265 267 M C 2.285 178.629 176.300 0.073 0.000 1.064 267 M CA 1.169 56.504 55.300 0.058 0.000 1.109 267 M CB -0.237 32.378 32.600 0.024 0.000 1.396 267 M HN 0.336 nan 8.290 nan 0.000 0.430 268 R N 0.110 120.643 120.500 0.055 0.000 2.075 268 R HA 0.040 4.380 4.340 0.000 0.000 0.226 268 R C 2.334 178.662 176.300 0.048 0.000 1.114 268 R CA 1.292 57.421 56.100 0.049 0.000 0.972 268 R CB -0.368 29.955 30.300 0.038 0.000 0.869 268 R HN 0.330 nan 8.270 nan 0.000 0.437 269 A N 1.251 124.100 122.820 0.049 0.000 2.067 269 A HA -0.070 4.251 4.320 0.000 0.000 0.219 269 A C 0.552 178.171 177.584 0.058 0.000 1.158 269 A CA 1.005 53.071 52.037 0.048 0.000 0.661 269 A CB 0.120 19.148 19.000 0.046 0.000 0.801 269 A HN 0.112 nan 8.150 nan 0.000 0.452 270 K N -0.622 119.821 120.400 0.071 0.000 2.626 270 K HA 0.508 4.828 4.320 0.000 0.000 0.223 270 K C 0.596 177.249 176.600 0.088 0.000 0.992 270 K CA 0.212 56.548 56.287 0.083 0.000 1.024 270 K CB 1.493 34.056 32.500 0.105 0.000 1.225 270 K HN 0.150 nan 8.250 nan 0.000 0.498 271 A N 2.209 125.068 122.820 0.066 0.000 1.986 271 A HA -0.189 4.131 4.320 0.000 0.000 0.220 271 A C 1.359 178.974 177.584 0.052 0.000 1.171 271 A CA 1.936 54.007 52.037 0.057 0.000 0.640 271 A CB -0.242 18.779 19.000 0.036 0.000 0.811 271 A HN 0.788 nan 8.150 nan 0.000 0.451 272 D N -0.703 119.729 120.400 0.052 0.000 2.395 272 D HA 0.097 4.737 4.640 0.000 0.000 0.226 272 D C 1.150 177.485 176.300 0.059 0.000 1.146 272 D CA -0.273 53.745 54.000 0.029 0.000 0.830 272 D CB -0.136 40.675 40.800 0.017 0.000 0.958 272 D HN 0.229 nan 8.370 nan 0.000 0.501 273 L N 1.333 122.636 121.223 0.133 0.000 2.046 273 L HA -0.042 4.298 4.340 0.000 0.000 0.208 273 L C 2.385 179.387 176.870 0.220 0.000 1.077 273 L CA 1.837 56.829 54.840 0.255 0.000 0.747 273 L CB -0.757 41.500 42.059 0.330 0.000 0.896 273 L HN 0.165 nan 8.230 nan 0.000 0.432 274 A N -0.763 122.023 122.820 -0.058 0.000 1.902 274 A HA -0.249 4.071 4.320 0.000 0.000 0.217 274 A C 1.915 179.329 177.584 -0.283 0.000 1.181 274 A CA 2.011 53.699 52.037 -0.581 0.000 0.623 274 A CB -0.921 17.604 19.000 -0.791 0.000 0.818 274 A HN 0.539 nan 8.150 nan 0.000 0.443 275 D N -0.526 119.759 120.400 -0.191 0.000 2.117 275 D HA -0.153 4.488 4.640 0.000 0.000 0.197 275 D C 2.188 178.346 176.300 -0.237 0.000 0.987 275 D CA 1.513 55.400 54.000 -0.189 0.000 0.829 275 D CB -0.255 40.471 40.800 -0.124 0.000 0.961 275 D HN 0.594 nan 8.370 nan 0.000 0.460 276 Q N -0.738 118.945 119.800 -0.195 0.000 2.084 276 Q HA -0.160 4.180 4.340 0.000 0.000 0.202 276 Q C 1.932 177.449 176.000 -0.805 0.000 0.978 276 Q CA 0.875 56.467 55.803 -0.353 0.000 0.844 276 Q CB -0.202 28.497 28.738 -0.065 0.000 0.898 276 Q HN 0.324 nan 8.270 nan 0.000 0.426 277 F N 0.936 120.362 119.950 -0.874 0.000 2.069 277 F HA -0.221 4.306 4.527 0.000 0.000 0.298 277 F C 1.980 177.413 175.800 -0.612 0.000 1.113 277 F CA 1.238 58.639 58.000 -0.998 0.000 1.214 277 F CB -0.670 38.128 39.000 -0.337 0.000 0.978 277 F HN -0.202 nan 8.300 nan 0.000 0.474 278 V N 0.880 120.332 119.914 -0.770 0.000 2.469 278 V HA -0.314 3.807 4.120 0.000 0.000 0.251 278 V C 2.769 178.521 176.094 -0.572 0.000 1.064 278 V CA 1.817 63.672 62.300 -0.743 0.000 1.066 278 V CB -1.739 29.814 31.823 -0.450 0.000 0.667 278 V HN 0.548 nan 8.190 nan 0.000 0.461 279 A N -1.021 121.503 122.820 -0.494 0.000 1.968 279 A HA -0.172 4.148 4.320 0.000 0.000 0.217 279 A C 2.527 179.858 177.584 -0.422 0.000 1.169 279 A CA 1.907 53.711 52.037 -0.388 0.000 0.638 279 A CB -0.535 18.278 19.000 -0.313 0.000 0.812 279 A HN 0.480 nan 8.150 nan 0.000 0.446 280 S N 0.076 115.452 115.700 -0.540 0.000 2.371 280 S HA -0.155 4.315 4.470 0.000 0.000 0.224 280 S C 2.171 176.549 174.600 -0.370 0.000 1.029 280 S CA 1.622 59.564 58.200 -0.429 0.000 0.978 280 S CB -0.492 62.453 63.200 -0.426 0.000 0.833 280 S HN 0.673 nan 8.310 nan 0.000 0.466 281 M N 0.892 120.213 119.600 -0.465 0.000 2.476 281 M HA 0.076 4.556 4.480 0.000 0.000 0.262 281 M C 1.587 177.698 176.300 -0.314 0.000 1.079 281 M CA 1.697 56.777 55.300 -0.367 0.000 1.104 281 M CB -0.815 31.465 32.600 -0.534 0.000 1.409 281 M HN 0.347 nan 8.290 nan 0.000 0.467 282 T N -2.511 111.837 114.554 -0.343 0.000 3.054 282 T HA 0.342 4.692 4.350 0.000 0.000 0.255 282 T C 0.494 175.049 174.700 -0.241 0.000 1.035 282 T CA -0.500 61.440 62.100 -0.267 0.000 0.941 282 T CB -0.093 68.623 68.868 -0.253 0.000 1.026 282 T HN 0.436 nan 8.240 nan 0.000 0.533 283 M N 2.110 121.524 119.600 -0.311 0.000 2.239 283 M HA 0.403 4.884 4.480 0.000 0.000 0.348 283 M C 1.285 177.483 176.300 -0.170 0.000 1.239 283 M CA 1.347 56.446 55.300 -0.335 0.000 1.114 283 M CB 0.002 32.225 32.600 -0.630 0.000 1.641 283 M HN 0.544 nan 8.290 nan 0.000 0.453 284 G N 3.472 112.283 108.800 0.018 0.000 2.258 284 G HA2 -0.284 3.677 3.960 0.000 0.000 0.274 284 G HA3 -0.284 3.677 3.960 0.000 0.000 0.274 284 G C 0.411 175.312 174.900 0.001 0.000 1.021 284 G CA 0.048 45.241 45.100 0.155 0.000 0.798 284 G HN 1.144 nan 8.290 nan 0.000 0.507 285 C N -2.298 116.953 119.300 -0.082 0.000 4.365 285 C HA 0.037 4.497 4.460 0.000 0.000 0.299 285 C C 2.432 177.296 174.990 -0.210 0.000 1.409 285 C CA 1.238 60.166 59.018 -0.150 0.000 2.007 285 C CB -1.972 25.677 27.740 -0.152 0.000 1.264 285 C HN 2.720 nan 8.230 nan 0.000 0.777 286 G N -0.570 108.126 108.800 -0.174 0.000 2.168 286 G HA2 -0.324 3.636 3.960 0.000 0.000 0.263 286 G HA3 -0.324 3.636 3.960 0.000 0.000 0.263 286 G C 0.177 174.915 174.900 -0.268 0.000 0.977 286 G CA 0.723 45.705 45.100 -0.198 0.000 0.659 286 G HN 0.856 nan 8.290 nan 0.000 0.533 287 Q N -0.434 119.238 119.800 -0.214 0.000 2.642 287 Q HA 0.476 4.816 4.340 0.000 0.000 0.319 287 Q C -0.492 175.566 176.000 0.096 0.000 1.030 287 Q CA -0.078 55.475 55.803 -0.418 0.000 0.943 287 Q CB 0.074 28.668 28.738 -0.241 0.000 1.323 287 Q HN 0.417 nan 8.270 nan 0.000 0.419 288 F N -0.658 119.276 119.950 -0.027 0.000 2.469 288 F HA 0.130 4.658 4.527 0.000 0.000 0.332 288 F C 1.306 177.245 175.800 0.232 0.000 1.103 288 F CA -1.713 56.405 58.000 0.198 0.000 0.979 288 F CB 1.006 40.100 39.000 0.158 0.000 1.137 288 F HN 0.255 nan 8.300 nan 0.000 0.463 289 C N -1.474 118.031 119.300 0.341 0.000 2.419 289 C HA -0.066 4.394 4.460 0.000 0.000 0.283 289 C C 1.897 177.048 174.990 0.268 0.000 1.373 289 C CA 0.920 60.103 59.018 0.275 0.000 1.781 289 C CB -1.979 25.834 27.740 0.122 0.000 1.886 289 C HN 0.869 nan 8.230 nan 0.000 0.520 290 T N -2.408 112.341 114.554 0.326 0.000 3.145 290 T HA 0.129 4.480 4.350 0.000 0.000 0.255 290 T C 0.386 175.254 174.700 0.280 0.000 1.039 290 T CA -0.249 62.029 62.100 0.297 0.000 0.928 290 T CB -0.318 68.748 68.868 0.329 0.000 1.029 290 T HN 0.640 nan 8.240 nan 0.000 0.554 291 K N 3.489 124.053 120.400 0.273 0.000 2.447 291 K HA 0.093 4.413 4.320 0.000 0.000 0.281 291 K C -2.380 174.338 176.600 0.197 0.000 1.031 291 K CA -1.532 54.868 56.287 0.187 0.000 1.019 291 K CB 0.414 32.992 32.500 0.129 0.000 0.918 291 K HN 0.116 nan 8.250 nan 0.000 0.476 292 P HA 0.017 nan 4.420 nan 0.000 0.268 292 P C 0.119 177.568 177.300 0.250 0.000 1.282 292 P CA 0.040 63.316 63.100 0.294 0.000 0.880 292 P CB 0.758 32.750 31.700 0.487 0.000 0.971 293 G N 2.734 111.644 108.800 0.184 0.000 2.683 293 G HA2 0.129 4.089 3.960 0.000 0.000 0.213 293 G HA3 0.129 4.089 3.960 0.000 0.000 0.213 293 G C 0.051 174.998 174.900 0.078 0.000 1.142 293 G CA 0.195 45.385 45.100 0.150 0.000 0.793 293 G HN 0.516 nan 8.290 nan 0.000 0.534 294 V N 0.256 120.155 119.914 -0.024 0.000 2.777 294 V HA 0.600 4.720 4.120 0.000 0.000 0.306 294 V C -1.561 174.244 176.094 -0.481 0.000 1.112 294 V CA -0.681 61.434 62.300 -0.308 0.000 0.917 294 V CB 2.387 33.914 31.823 -0.492 0.000 1.018 294 V HN -0.115 nan 8.190 nan 0.000 0.426 295 V N 7.430 126.976 119.914 -0.612 0.000 2.444 295 V HA 0.560 4.680 4.120 0.000 0.000 0.294 295 V C -0.681 174.926 176.094 -0.813 0.000 1.022 295 V CA -0.446 61.485 62.300 -0.615 0.000 0.850 295 V CB 1.562 33.062 31.823 -0.539 0.000 0.992 295 V HN 0.730 nan 8.190 nan 0.000 0.426 296 F N 3.467 123.060 119.950 -0.595 0.000 2.408 296 F HA 0.802 5.330 4.527 0.000 0.000 0.344 296 F C 0.580 176.124 175.800 -0.426 0.000 1.112 296 F CA -0.160 57.509 58.000 -0.551 0.000 1.096 296 F CB 1.640 40.206 39.000 -0.723 0.000 1.129 296 F HN 0.586 nan 8.300 nan 0.000 0.486 297 A N 3.544 126.251 122.820 -0.189 0.000 2.566 297 A HA 0.823 5.143 4.320 0.000 0.000 0.292 297 A C -1.293 176.197 177.584 -0.158 0.000 1.112 297 A CA -0.820 51.077 52.037 -0.233 0.000 0.707 297 A CB 1.276 20.084 19.000 -0.319 0.000 1.302 297 A HN 0.682 nan 8.150 nan 0.000 0.409 298 L N 0.750 121.876 121.223 -0.160 0.000 2.399 298 L HA 0.335 4.675 4.340 0.000 0.000 0.266 298 L C 0.920 177.751 176.870 -0.064 0.000 1.114 298 L CA -0.415 54.367 54.840 -0.097 0.000 0.804 298 L CB 0.898 42.907 42.059 -0.084 0.000 1.146 298 L HN 0.910 nan 8.230 nan 0.000 0.451 299 N N 1.122 119.803 118.700 -0.032 0.000 2.971 299 N HA 0.034 4.774 4.740 0.000 0.000 0.294 299 N C -0.646 174.860 175.510 -0.007 0.000 1.210 299 N CA -0.257 52.784 53.050 -0.015 0.000 1.157 299 N CB 0.143 38.631 38.487 0.001 0.000 1.450 299 N HN 0.692 nan 8.380 nan 0.000 0.527 300 T N -1.425 113.122 114.554 -0.012 0.000 2.907 300 T HA 0.391 4.741 4.350 0.000 0.000 0.290 300 T C -2.106 172.598 174.700 0.006 0.000 1.066 300 T CA -1.765 60.336 62.100 0.000 0.000 1.012 300 T CB 1.779 70.648 68.868 0.001 0.000 1.184 300 T HN -0.111 nan 8.240 nan 0.000 0.522 301 P HA -0.054 nan 4.420 nan 0.000 0.218 301 P C 1.116 178.435 177.300 0.030 0.000 1.148 301 P CA 1.054 64.166 63.100 0.020 0.000 0.822 301 P CB 0.060 31.772 31.700 0.020 0.000 0.784 302 E N -1.192 119.024 120.200 0.028 0.000 2.085 302 E HA -0.143 4.207 4.350 0.000 0.000 0.194 302 E C 1.969 178.606 176.600 0.061 0.000 0.994 302 E CA 1.723 58.149 56.400 0.042 0.000 0.801 302 E CB -1.211 28.504 29.700 0.025 0.000 0.743 302 E HN 0.224 nan 8.360 nan 0.000 0.453 303 T N 0.230 114.793 114.554 0.015 0.000 2.777 303 T HA -0.167 4.183 4.350 0.000 0.000 0.266 303 T C 1.807 176.559 174.700 0.087 0.000 1.040 303 T CA 1.310 63.413 62.100 0.005 0.000 1.141 303 T CB -0.194 68.635 68.868 -0.066 0.000 0.868 303 T HN 0.041 nan 8.240 nan 0.000 0.444 304 Q N 1.451 121.283 119.800 0.054 0.000 2.084 304 Q HA 0.059 4.399 4.340 0.000 0.000 0.202 304 Q C 2.259 178.297 176.000 0.064 0.000 0.978 304 Q CA 1.841 57.674 55.803 0.049 0.000 0.844 304 Q CB -0.724 28.031 28.738 0.028 0.000 0.898 304 Q HN 0.502 nan 8.270 nan 0.000 0.426 305 A N -0.564 122.300 122.820 0.074 0.000 1.898 305 A HA -0.118 4.202 4.320 0.000 0.000 0.216 305 A C 2.020 179.657 177.584 0.087 0.000 1.181 305 A CA 1.231 53.307 52.037 0.064 0.000 0.620 305 A CB -0.995 18.042 19.000 0.062 0.000 0.819 305 A HN 0.532 nan 8.150 nan 0.000 0.442 306 F N 0.801 120.737 119.950 -0.023 0.000 2.069 306 F HA -0.215 4.312 4.527 0.000 0.000 0.298 306 F C 2.042 177.826 175.800 -0.026 0.000 1.113 306 F CA 2.037 60.021 58.000 -0.026 0.000 1.214 306 F CB -0.261 38.711 39.000 -0.046 0.000 0.978 306 F HN 0.186 nan 8.300 nan 0.000 0.474 307 I N 0.287 120.990 120.570 0.221 0.000 2.151 307 I HA -0.339 3.831 4.170 0.000 0.000 0.243 307 I C 2.333 178.433 176.117 -0.028 0.000 1.080 307 I CA 1.958 63.313 61.300 0.092 0.000 1.339 307 I CB -0.643 37.406 38.000 0.081 0.000 1.039 307 I HN 0.272 nan 8.210 nan 0.000 0.409 308 E N 0.022 120.209 120.200 -0.021 0.000 2.110 308 E HA -0.178 4.172 4.350 0.000 0.000 0.193 308 E C 2.116 178.668 176.600 -0.081 0.000 0.988 308 E CA 1.754 58.127 56.400 -0.045 0.000 0.804 308 E CB -0.034 29.652 29.700 -0.024 0.000 0.745 308 E HN 0.497 nan 8.360 nan 0.000 0.458 309 T N 0.641 115.127 114.554 -0.114 0.000 2.770 309 T HA -0.107 4.244 4.350 0.000 0.000 0.263 309 T C 2.003 176.591 174.700 -0.187 0.000 1.039 309 T CA 1.102 63.113 62.100 -0.148 0.000 1.142 309 T CB -0.221 68.540 68.868 -0.179 0.000 0.868 309 T HN 0.233 nan 8.240 nan 0.000 0.435 310 A N 1.548 124.215 122.820 -0.254 0.000 1.883 310 A HA -0.221 4.099 4.320 0.000 0.000 0.217 310 A C 2.294 179.787 177.584 -0.152 0.000 1.186 310 A CA 1.822 53.728 52.037 -0.218 0.000 0.624 310 A CB -0.826 18.074 19.000 -0.167 0.000 0.822 310 A HN 0.544 nan 8.150 nan 0.000 0.444 311 Q N -0.856 118.871 119.800 -0.122 0.000 2.045 311 Q HA -0.189 4.151 4.340 0.000 0.000 0.206 311 Q C 2.510 178.446 176.000 -0.108 0.000 0.991 311 Q CA 1.900 57.636 55.803 -0.113 0.000 0.851 311 Q CB -0.319 28.363 28.738 -0.095 0.000 0.911 311 Q HN 0.669 nan 8.270 nan 0.000 0.418 312 S N 0.213 115.854 115.700 -0.099 0.000 2.370 312 S HA -0.126 4.344 4.470 0.000 0.000 0.226 312 S C 1.877 176.421 174.600 -0.095 0.000 1.033 312 S CA 0.932 59.080 58.200 -0.085 0.000 1.011 312 S CB -0.175 62.980 63.200 -0.077 0.000 0.852 312 S HN 0.279 nan 8.310 nan 0.000 0.457 313 L N 0.978 122.130 121.223 -0.118 0.000 2.056 313 L HA -0.073 4.267 4.340 0.000 0.000 0.207 313 L C 2.405 179.199 176.870 -0.128 0.000 1.078 313 L CA 0.788 55.551 54.840 -0.129 0.000 0.749 313 L CB -0.514 41.446 42.059 -0.165 0.000 0.901 313 L HN 0.335 nan 8.230 nan 0.000 0.433 314 I N 0.174 120.661 120.570 -0.138 0.000 2.208 314 I HA -0.289 3.881 4.170 0.000 0.000 0.245 314 I C 2.684 178.748 176.117 -0.088 0.000 1.097 314 I CA 1.595 62.817 61.300 -0.130 0.000 1.363 314 I CB -1.025 36.887 38.000 -0.147 0.000 1.051 314 I HN 0.323 nan 8.210 nan 0.000 0.413 315 R N 0.451 120.904 120.500 -0.078 0.000 2.127 315 R HA -0.190 4.150 4.340 0.000 0.000 0.238 315 R C 1.981 178.255 176.300 -0.044 0.000 1.134 315 R CA 1.154 57.225 56.100 -0.049 0.000 0.975 315 R CB -0.272 30.000 30.300 -0.047 0.000 0.865 315 R HN 0.592 nan 8.270 nan 0.000 0.447 316 Q N 0.164 119.928 119.800 -0.059 0.000 2.424 316 Q HA 0.025 4.365 4.340 0.000 0.000 0.204 316 Q C 0.117 176.083 176.000 -0.057 0.000 0.933 316 Q CA 0.074 55.844 55.803 -0.055 0.000 0.929 316 Q CB 0.301 29.003 28.738 -0.061 0.000 1.037 316 Q HN 0.173 nan 8.270 nan 0.000 0.511 317 Q N 1.883 121.643 119.800 -0.067 0.000 2.304 317 Q HA 0.001 4.341 4.340 0.000 0.000 0.301 317 Q C 0.175 176.145 176.000 -0.051 0.000 1.063 317 Q CA 0.381 56.142 55.803 -0.070 0.000 0.947 317 Q CB 0.717 29.404 28.738 -0.083 0.000 1.201 317 Q HN 0.271 nan 8.270 nan 0.000 0.389 318 S N 2.692 118.362 115.700 -0.050 0.000 2.593 318 S HA 0.419 4.889 4.470 0.000 0.000 0.269 318 S C -2.270 172.309 174.600 -0.034 0.000 1.334 318 S CA -1.266 56.912 58.200 -0.036 0.000 1.015 318 S CB 0.351 63.532 63.200 -0.031 0.000 0.912 318 S HN 0.294 nan 8.310 nan 0.000 0.541 319 P HA 0.193 nan 4.420 nan 0.000 0.266 319 P C -0.788 176.496 177.300 -0.028 0.000 1.193 319 P CA 0.058 63.145 63.100 -0.020 0.000 0.770 319 P CB 0.410 32.105 31.700 -0.007 0.000 0.836 320 S N 0.965 116.636 115.700 -0.049 0.000 2.472 320 S HA 0.456 4.926 4.470 0.000 0.000 0.303 320 S C -0.351 174.206 174.600 -0.072 0.000 1.099 320 S CA -0.521 57.634 58.200 -0.075 0.000 1.077 320 S CB 0.977 64.091 63.200 -0.142 0.000 1.031 320 S HN 0.285 nan 8.310 nan 0.000 0.487 321 T N 4.062 118.577 114.554 -0.065 0.000 2.801 321 T HA 0.396 4.746 4.350 0.000 0.000 0.306 321 T C 0.283 174.899 174.700 -0.139 0.000 1.020 321 T CA -0.431 61.617 62.100 -0.087 0.000 0.948 321 T CB -0.032 68.785 68.868 -0.085 0.000 0.962 321 T HN 0.350 nan 8.240 nan 0.000 0.465 322 L N 2.947 124.096 121.223 -0.123 0.000 2.479 322 L HA 0.347 4.687 4.340 0.000 0.000 0.248 322 L C 1.825 178.636 176.870 -0.098 0.000 1.205 322 L CA -0.644 54.132 54.840 -0.106 0.000 0.817 322 L CB 0.268 42.287 42.059 -0.067 0.000 1.162 322 L HN 0.568 nan 8.230 nan 0.000 0.486 323 L N -0.160 121.040 121.223 -0.038 0.000 2.012 323 L HA -0.108 4.232 4.340 0.000 0.000 0.210 323 L C 1.085 177.935 176.870 -0.034 0.000 1.073 323 L CA 1.554 56.368 54.840 -0.044 0.000 0.748 323 L CB -0.525 41.545 42.059 0.017 0.000 0.891 323 L HN 0.853 nan 8.230 nan 0.000 0.431 324 T N -6.552 108.010 114.554 0.015 0.000 2.896 324 T HA 0.379 4.729 4.350 0.000 0.000 0.297 324 T C -2.328 172.396 174.700 0.040 0.000 1.108 324 T CA -1.824 60.294 62.100 0.030 0.000 1.004 324 T CB 1.813 70.719 68.868 0.064 0.000 1.159 324 T HN -0.315 nan 8.240 nan 0.000 0.499 325 P HA 0.000 nan 4.420 nan 0.000 0.215 325 P C 1.829 179.167 177.300 0.063 0.000 1.157 325 P CA 1.635 64.762 63.100 0.046 0.000 0.874 325 P CB -0.394 31.334 31.700 0.047 0.000 0.790 326 G N -0.249 108.592 108.800 0.068 0.000 2.446 326 G HA2 -0.250 3.711 3.960 0.000 0.000 0.217 326 G HA3 -0.250 3.711 3.960 0.000 0.000 0.217 326 G C 1.563 176.524 174.900 0.101 0.000 1.168 326 G CA 0.629 45.776 45.100 0.077 0.000 0.771 326 G HN 0.237 nan 8.290 nan 0.000 0.551 327 I N 0.131 120.768 120.570 0.111 0.000 2.361 327 I HA -0.120 4.050 4.170 0.000 0.000 0.251 327 I C 2.835 179.064 176.117 0.188 0.000 1.133 327 I CA 0.958 62.357 61.300 0.165 0.000 1.413 327 I CB -0.163 37.948 38.000 0.185 0.000 1.073 327 I HN 0.148 nan 8.210 nan 0.000 0.424 328 R N 1.030 121.608 120.500 0.130 0.000 2.062 328 R HA -0.185 4.155 4.340 0.000 0.000 0.231 328 R C 1.793 178.194 176.300 0.168 0.000 1.136 328 R CA 2.004 58.182 56.100 0.130 0.000 0.948 328 R CB -0.196 30.146 30.300 0.070 0.000 0.845 328 R HN 0.268 nan 8.270 nan 0.000 0.430 329 D N 0.093 120.566 120.400 0.121 0.000 2.144 329 D HA -0.091 4.549 4.640 0.000 0.000 0.199 329 D C 1.965 178.333 176.300 0.114 0.000 0.984 329 D CA 1.332 55.394 54.000 0.102 0.000 0.834 329 D CB -0.157 40.687 40.800 0.073 0.000 0.955 329 D HN 0.191 nan 8.370 nan 0.000 0.465 330 S N -0.063 115.719 115.700 0.138 0.000 2.368 330 S HA -0.171 4.300 4.470 0.000 0.000 0.224 330 S C 1.827 176.523 174.600 0.161 0.000 1.029 330 S CA 0.556 58.838 58.200 0.137 0.000 0.988 330 S CB -0.364 62.927 63.200 0.153 0.000 0.838 330 S HN 0.345 nan 8.310 nan 0.000 0.462 331 Y N 2.359 122.724 120.300 0.109 0.000 2.114 331 Y HA -0.203 4.347 4.550 0.000 0.000 0.284 331 Y C 2.436 178.394 175.900 0.096 0.000 1.143 331 Y CA 1.732 59.900 58.100 0.114 0.000 1.135 331 Y CB -0.564 37.957 38.460 0.101 0.000 0.980 331 Y HN 0.251 nan 8.280 nan 0.000 0.499 332 Q N -0.318 119.548 119.800 0.109 0.000 2.030 332 Q HA -0.207 4.134 4.340 0.000 0.000 0.204 332 Q C 2.482 178.450 176.000 -0.053 0.000 0.986 332 Q CA 2.440 58.242 55.803 -0.001 0.000 0.843 332 Q CB -0.379 28.395 28.738 0.060 0.000 0.904 332 Q HN 0.627 nan 8.270 nan 0.000 0.420 333 S N 0.289 115.987 115.700 -0.003 0.000 2.402 333 S HA -0.173 4.297 4.470 0.000 0.000 0.229 333 S C 1.842 176.442 174.600 -0.001 0.000 1.021 333 S CA 0.951 59.154 58.200 0.005 0.000 0.974 333 S CB -0.179 63.036 63.200 0.027 0.000 0.800 333 S HN 0.318 nan 8.310 nan 0.000 0.484 334 Q N 0.907 120.695 119.800 -0.020 0.000 2.083 334 Q HA -0.010 4.330 4.340 0.000 0.000 0.198 334 Q C 2.595 178.575 176.000 -0.033 0.000 0.969 334 Q CA 1.556 57.348 55.803 -0.019 0.000 0.838 334 Q CB -0.530 28.206 28.738 -0.002 0.000 0.900 334 Q HN 0.701 nan 8.270 nan 0.000 0.436 335 V N -2.623 117.235 119.914 -0.092 0.000 2.358 335 V HA -0.138 3.982 4.120 0.000 0.000 0.246 335 V C 2.100 178.368 176.094 0.289 0.000 1.047 335 V CA 1.237 63.612 62.300 0.124 0.000 1.035 335 V CB -0.844 30.982 31.823 0.005 0.000 0.658 335 V HN 0.090 nan 8.190 nan 0.000 0.452 336 V N 0.695 120.691 119.914 0.136 0.000 2.427 336 V HA -0.205 3.915 4.120 0.000 0.000 0.248 336 V C 2.931 179.108 176.094 0.139 0.000 1.051 336 V CA 2.406 64.796 62.300 0.151 0.000 1.048 336 V CB -0.488 31.348 31.823 0.022 0.000 0.666 336 V HN 0.697 nan 8.190 nan 0.000 0.456 337 S N -0.421 115.330 115.700 0.086 0.000 2.383 337 S HA -0.208 4.262 4.470 0.000 0.000 0.227 337 S C 2.212 176.857 174.600 0.075 0.000 1.026 337 S CA 1.686 59.929 58.200 0.073 0.000 0.981 337 S CB -0.234 62.996 63.200 0.051 0.000 0.818 337 S HN 0.564 nan 8.310 nan 0.000 0.472 338 R N -0.008 120.508 120.500 0.026 0.000 2.090 338 R HA 0.031 4.371 4.340 0.000 0.000 0.228 338 R C 2.327 178.600 176.300 -0.045 0.000 1.110 338 R CA 1.270 57.309 56.100 -0.103 0.000 0.973 338 R CB -0.851 29.160 30.300 -0.483 0.000 0.869 338 R HN 0.474 nan 8.270 nan 0.000 0.440 339 G N -0.294 108.625 108.800 0.199 0.000 2.509 339 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 339 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 339 G C 1.361 176.354 174.900 0.155 0.000 1.124 339 G CA 0.793 46.065 45.100 0.285 0.000 0.776 339 G HN 0.507 nan 8.290 nan 0.000 0.547 340 S N 0.219 116.001 115.700 0.136 0.000 2.436 340 S HA -0.001 4.469 4.470 0.000 0.000 0.228 340 S C 0.741 175.410 174.600 0.115 0.000 1.014 340 S CA 0.107 58.376 58.200 0.115 0.000 0.950 340 S CB -0.038 63.224 63.200 0.103 0.000 0.784 340 S HN 0.236 nan 8.310 nan 0.000 0.504 341 D N 2.895 123.377 120.400 0.136 0.000 2.370 341 D HA 0.133 4.773 4.640 0.000 0.000 0.235 341 D C -0.272 176.125 176.300 0.160 0.000 1.228 341 D CA 0.515 54.624 54.000 0.182 0.000 0.884 341 D CB 0.212 41.182 40.800 0.284 0.000 1.201 341 D HN 0.365 nan 8.370 nan 0.000 0.456 342 D N -0.700 119.819 120.400 0.198 0.000 2.304 342 D HA 0.352 4.992 4.640 0.000 0.000 0.247 342 D C 1.348 177.765 176.300 0.195 0.000 1.089 342 D CA -0.027 54.079 54.000 0.177 0.000 0.910 342 D CB 1.425 42.334 40.800 0.181 0.000 1.199 342 D HN 0.561 nan 8.370 nan 0.000 0.426 343 G N 1.090 109.988 108.800 0.164 0.000 2.179 343 G HA2 -0.269 3.691 3.960 0.000 0.000 0.260 343 G HA3 -0.269 3.691 3.960 0.000 0.000 0.260 343 G C 0.232 175.232 174.900 0.168 0.000 0.977 343 G CA 0.107 45.321 45.100 0.189 0.000 0.641 343 G HN 0.525 nan 8.290 nan 0.000 0.533 344 I N 0.450 121.070 120.570 0.084 0.000 2.608 344 I HA 0.619 4.789 4.170 0.000 0.000 0.295 344 I C -1.236 174.870 176.117 -0.019 0.000 1.049 344 I CA -1.112 60.156 61.300 -0.052 0.000 1.063 344 I CB 1.951 39.757 38.000 -0.322 0.000 1.248 344 I HN 0.073 nan 8.210 nan 0.000 0.424 345 D N 5.371 125.750 120.400 -0.035 0.000 2.248 345 D HA 0.561 5.201 4.640 0.000 0.000 0.246 345 D C -1.619 174.606 176.300 -0.124 0.000 1.027 345 D CA -0.281 53.685 54.000 -0.056 0.000 0.853 345 D CB 2.208 42.976 40.800 -0.055 0.000 1.243 345 D HN 0.266 nan 8.370 nan 0.000 0.462 346 V N 2.795 122.564 119.914 -0.243 0.000 2.709 346 V HA 0.634 4.754 4.120 0.000 0.000 0.308 346 V C -1.106 174.609 176.094 -0.633 0.000 1.062 346 V CA -0.265 61.673 62.300 -0.602 0.000 0.901 346 V CB 2.150 33.465 31.823 -0.847 0.000 1.003 346 V HN 0.714 nan 8.190 nan 0.000 0.425 347 T N 7.594 121.729 114.554 -0.700 0.000 2.786 347 T HA 0.653 5.003 4.350 0.000 0.000 0.283 347 T C -0.978 173.405 174.700 -0.528 0.000 0.992 347 T CA 0.042 61.863 62.100 -0.464 0.000 0.954 347 T CB 0.709 69.411 68.868 -0.276 0.000 0.934 347 T HN 0.422 nan 8.240 nan 0.000 0.440 348 F N 1.804 121.654 119.950 -0.166 0.000 2.507 348 F HA 0.625 5.152 4.527 0.000 0.000 0.327 348 F C 1.134 176.877 175.800 -0.095 0.000 1.068 348 F CA -0.988 56.931 58.000 -0.135 0.000 0.965 348 F CB 1.549 40.488 39.000 -0.102 0.000 1.192 348 F HN 0.555 nan 8.300 nan 0.000 0.476 349 S N 0.744 116.536 115.700 0.153 0.000 2.713 349 S HA 0.461 4.931 4.470 0.000 0.000 0.277 349 S C -0.641 173.985 174.600 0.044 0.000 1.168 349 S CA -0.976 57.255 58.200 0.052 0.000 0.994 349 S CB 0.998 64.206 63.200 0.013 0.000 1.054 349 S HN 0.485 nan 8.310 nan 0.000 0.555 350 Q N 0.640 120.445 119.800 0.010 0.000 2.294 350 Q HA 0.688 5.028 4.340 0.000 0.000 0.257 350 Q C -0.574 175.418 176.000 -0.013 0.000 0.955 350 Q CA -0.093 55.707 55.803 -0.005 0.000 0.936 350 Q CB 1.100 29.833 28.738 -0.009 0.000 1.188 350 Q HN 0.893 nan 8.270 nan 0.000 0.420 351 A N 2.879 125.684 122.820 -0.025 0.000 2.577 351 A HA 0.552 4.872 4.320 0.000 0.000 0.297 351 A C -1.102 176.464 177.584 -0.030 0.000 1.060 351 A CA -0.770 51.254 52.037 -0.022 0.000 0.697 351 A CB 1.405 20.396 19.000 -0.015 0.000 1.281 351 A HN 0.475 nan 8.150 nan 0.000 0.402 352 E N 0.972 121.161 120.200 -0.018 0.000 2.183 352 E HA 0.438 4.788 4.350 0.000 0.000 0.271 352 E C -0.077 176.519 176.600 -0.007 0.000 0.919 352 E CA -0.412 55.978 56.400 -0.016 0.000 0.781 352 E CB 2.000 31.693 29.700 -0.011 0.000 1.140 352 E HN 0.577 nan 8.360 nan 0.000 0.402 353 S N 2.991 118.686 115.700 -0.007 0.000 2.563 353 S HA 0.039 4.509 4.470 0.000 0.000 0.284 353 S C -0.991 173.615 174.600 0.010 0.000 1.331 353 S CA -0.882 57.321 58.200 0.004 0.000 1.047 353 S CB 0.355 63.557 63.200 0.004 0.000 0.859 353 S HN 0.355 nan 8.310 nan 0.000 0.514 354 P HA 0.068 nan 4.420 nan 0.000 0.226 354 P C 0.215 177.525 177.300 0.016 0.000 1.153 354 P CA 0.149 63.261 63.100 0.020 0.000 0.777 354 P CB -0.377 31.336 31.700 0.023 0.000 0.794 355 C N 1.128 120.436 119.300 0.013 0.000 2.727 355 C HA 0.295 4.755 4.460 0.000 0.000 0.401 355 C C 1.144 176.137 174.990 0.005 0.000 1.294 355 C CA -0.596 58.424 59.018 0.003 0.000 2.134 355 C CB 0.439 28.182 27.740 0.005 0.000 2.724 355 C HN 0.229 nan 8.230 nan 0.000 0.677 356 V N -0.080 119.830 119.914 -0.007 0.000 2.960 356 V HA 0.938 5.058 4.120 0.000 0.000 0.315 356 V C -0.057 176.057 176.094 0.033 0.000 1.087 356 V CA -0.698 61.626 62.300 0.040 0.000 0.982 356 V CB 1.453 33.310 31.823 0.056 0.000 1.039 356 V HN 1.167 nan 8.190 nan 0.000 0.437 357 A N 2.169 125.052 122.820 0.105 0.000 2.304 357 A HA 0.780 5.100 4.320 0.000 0.000 0.301 357 A C 0.430 178.139 177.584 0.208 0.000 1.132 357 A CA -0.382 51.716 52.037 0.101 0.000 0.819 357 A CB 0.656 19.683 19.000 0.044 0.000 1.094 357 A HN 1.078 nan 8.150 nan 0.000 0.492 358 S N -0.150 115.616 115.700 0.110 0.000 2.603 358 S HA 0.624 5.094 4.470 0.000 0.000 0.268 358 S C 0.238 174.920 174.600 0.136 0.000 1.317 358 S CA 0.256 58.508 58.200 0.087 0.000 1.012 358 S CB 1.152 64.331 63.200 -0.036 0.000 0.926 358 S HN 1.444 nan 8.310 nan 0.000 0.539 359 A N 1.232 124.082 122.820 0.050 0.000 2.515 359 A HA 0.762 5.082 4.320 0.000 0.000 0.298 359 A C -1.745 175.635 177.584 -0.339 0.000 1.059 359 A CA -0.596 51.308 52.037 -0.222 0.000 0.698 359 A CB 1.241 20.050 19.000 -0.318 0.000 1.289 359 A HN 0.623 nan 8.150 nan 0.000 0.404 360 L N 1.702 122.607 121.223 -0.529 0.000 2.406 360 L HA 0.770 5.110 4.340 0.000 0.000 0.270 360 L C -1.793 174.788 176.870 -0.481 0.000 0.982 360 L CA -0.325 54.313 54.840 -0.338 0.000 0.843 360 L CB 0.581 42.529 42.059 -0.184 0.000 1.225 360 L HN 0.555 nan 8.230 nan 0.000 0.412 361 F N 4.110 123.947 119.950 -0.188 0.000 2.379 361 F HA 0.723 5.250 4.527 0.000 0.000 0.332 361 F C 0.203 175.880 175.800 -0.205 0.000 1.096 361 F CA -0.487 57.361 58.000 -0.252 0.000 1.105 361 F CB 1.773 40.579 39.000 -0.322 0.000 1.189 361 F HN 0.124 nan 8.300 nan 0.000 0.515 362 V N 1.437 121.337 119.914 -0.024 0.000 2.686 362 V HA 0.667 4.787 4.120 0.000 0.000 0.306 362 V C -0.351 175.710 176.094 -0.055 0.000 1.065 362 V CA -0.469 61.800 62.300 -0.051 0.000 0.894 362 V CB 2.019 33.815 31.823 -0.046 0.000 1.004 362 V HN 0.899 nan 8.190 nan 0.000 0.424 363 T N 2.093 116.627 114.554 -0.034 0.000 2.762 363 T HA 0.605 4.955 4.350 0.000 0.000 0.301 363 T C -0.542 174.217 174.700 0.098 0.000 1.299 363 T CA 0.175 62.307 62.100 0.053 0.000 1.005 363 T CB 2.035 70.966 68.868 0.106 0.000 1.377 363 T HN 1.004 nan 8.240 nan 0.000 0.504 364 S N 0.488 116.292 115.700 0.174 0.000 2.687 364 S HA 0.437 4.907 4.470 0.000 0.000 0.283 364 S C 1.618 176.365 174.600 0.245 0.000 1.170 364 S CA 0.180 58.475 58.200 0.159 0.000 1.008 364 S CB 1.242 64.527 63.200 0.141 0.000 1.026 364 S HN 1.027 nan 8.310 nan 0.000 0.541 365 S N -0.120 115.702 115.700 0.204 0.000 2.419 365 S HA -0.175 4.295 4.470 0.000 0.000 0.233 365 S C 1.542 176.330 174.600 0.313 0.000 1.016 365 S CA 1.095 59.462 58.200 0.279 0.000 0.974 365 S CB -0.761 62.553 63.200 0.189 0.000 0.786 365 S HN 0.855 nan 8.310 nan 0.000 0.492 366 E N 1.990 122.323 120.200 0.221 0.000 2.031 366 E HA -0.192 4.158 4.350 0.000 0.000 0.193 366 E C 1.861 178.579 176.600 0.196 0.000 0.994 366 E CA 1.417 57.922 56.400 0.174 0.000 0.800 366 E CB -0.365 29.411 29.700 0.126 0.000 0.752 366 E HN 0.754 nan 8.360 nan 0.000 0.447 367 N N 0.109 118.969 118.700 0.266 0.000 2.244 367 N HA -0.158 4.582 4.740 0.000 0.000 0.183 367 N C 1.579 177.263 175.510 0.290 0.000 1.016 367 N CA 0.854 54.091 53.050 0.313 0.000 0.866 367 N CB -0.250 38.491 38.487 0.424 0.000 0.980 367 N HN 0.403 nan 8.380 nan 0.000 0.430 368 W N 2.603 124.060 121.300 0.262 0.000 2.358 368 W HA -0.113 4.547 4.660 0.000 0.000 0.303 368 W C 1.440 178.013 176.519 0.090 0.000 1.208 368 W CA 1.154 58.665 57.345 0.277 0.000 1.274 368 W CB -0.135 29.522 29.460 0.328 0.000 1.138 368 W HN 0.053 nan 8.180 nan 0.000 0.515 369 R N 0.318 120.891 120.500 0.122 0.000 2.148 369 R HA -0.103 4.238 4.340 0.000 0.000 0.227 369 R C 2.263 178.456 176.300 -0.179 0.000 1.103 369 R CA 1.291 57.362 56.100 -0.049 0.000 0.983 369 R CB -0.215 30.125 30.300 0.066 0.000 0.874 369 R HN 0.181 nan 8.270 nan 0.000 0.451 370 K N -0.446 119.845 120.400 -0.180 0.000 2.167 370 K HA -0.033 4.287 4.320 0.000 0.000 0.203 370 K C -0.002 176.219 176.600 -0.632 0.000 1.052 370 K CA 0.816 56.899 56.287 -0.340 0.000 0.956 370 K CB 0.163 32.483 32.500 -0.300 0.000 0.735 370 K HN 0.241 nan 8.250 nan 0.000 0.451 371 H N 0.676 119.293 119.070 -0.755 0.000 2.643 371 H HA 0.113 4.669 4.556 0.000 0.000 0.259 371 H C -1.947 172.839 175.328 -0.903 0.000 1.298 371 H CA -2.074 53.346 56.048 -1.047 0.000 1.301 371 H CB 0.854 29.306 29.762 -2.184 0.000 1.422 371 H HN 0.037 nan 8.280 nan 0.000 0.521 372 P HA -0.103 nan 4.420 nan 0.000 0.230 372 P C 0.949 178.081 177.300 -0.281 0.000 1.158 372 P CA 0.672 63.532 63.100 -0.400 0.000 0.769 372 P CB 0.323 31.859 31.700 -0.273 0.000 0.807 373 A N -1.729 120.943 122.820 -0.247 0.000 2.276 373 A HA 0.018 4.338 4.320 0.000 0.000 0.212 373 A C 1.249 178.921 177.584 0.147 0.000 1.230 373 A CA 0.023 52.026 52.037 -0.057 0.000 0.844 373 A CB -1.177 17.810 19.000 -0.021 0.000 0.860 373 A HN 0.156 nan 8.150 nan 0.000 0.486 374 W N -0.910 120.289 121.300 -0.167 0.000 3.013 374 W HA 0.221 4.881 4.660 0.000 0.000 0.280 374 W C 1.691 178.187 176.519 -0.040 0.000 1.249 374 W CA 0.044 57.318 57.345 -0.120 0.000 1.577 374 W CB -0.272 29.137 29.460 -0.085 0.000 1.057 374 W HN 0.629 nan 8.180 nan 0.000 0.613 375 E N 0.901 121.124 120.200 0.038 0.000 2.427 375 E HA -0.064 4.286 4.350 0.000 0.000 0.196 375 E C 0.120 176.835 176.600 0.191 0.000 1.028 375 E CA 0.421 56.929 56.400 0.180 0.000 0.864 375 E CB 0.165 29.896 29.700 0.051 0.000 0.813 375 E HN 0.162 nan 8.360 nan 0.000 0.514 376 E N 1.706 121.986 120.200 0.134 0.000 2.373 376 E HA -0.009 4.341 4.350 0.000 0.000 0.267 376 E C -0.277 176.407 176.600 0.140 0.000 1.032 376 E CA -0.111 56.360 56.400 0.119 0.000 0.889 376 E CB 0.893 30.647 29.700 0.090 0.000 0.984 376 E HN 0.214 nan 8.360 nan 0.000 0.425 377 E N 3.324 123.611 120.200 0.145 0.000 2.360 377 E HA 0.091 4.441 4.350 0.000 0.000 0.269 377 E C -0.815 175.896 176.600 0.185 0.000 1.022 377 E CA -0.173 56.331 56.400 0.174 0.000 0.887 377 E CB 0.560 30.375 29.700 0.191 0.000 0.990 377 E HN 0.408 nan 8.360 nan 0.000 0.426 378 I N 5.722 126.414 120.570 0.204 0.000 2.405 378 I HA 0.143 4.313 4.170 0.000 0.000 0.280 378 I C -0.548 175.774 176.117 0.340 0.000 1.027 378 I CA -0.868 60.573 61.300 0.234 0.000 1.161 378 I CB 0.650 38.743 38.000 0.156 0.000 1.300 378 I HN 0.578 nan 8.210 nan 0.000 0.463 379 F N 6.604 126.683 119.950 0.215 0.000 2.506 379 F HA 0.508 5.035 4.527 0.000 0.000 0.369 379 F C 0.815 176.757 175.800 0.236 0.000 1.114 379 F CA 0.671 58.789 58.000 0.196 0.000 1.121 379 F CB -0.059 39.027 39.000 0.143 0.000 1.104 379 F HN 0.537 nan 8.300 nan 0.000 0.564 380 G N 5.831 114.489 108.800 -0.237 0.000 2.337 380 G HA2 0.124 4.084 3.960 0.000 0.000 0.298 380 G HA3 0.124 4.084 3.960 0.000 0.000 0.298 380 G C -3.170 171.580 174.900 -0.249 0.000 1.335 380 G CA -0.957 43.895 45.100 -0.414 0.000 0.875 380 G HN 0.238 nan 8.290 nan 0.000 0.579 381 P HA 0.133 nan 4.420 nan 0.000 0.231 381 P C -0.527 176.797 177.300 0.040 0.000 1.756 381 P CA 0.598 63.597 63.100 -0.168 0.000 0.990 381 P CB 0.500 32.067 31.700 -0.222 0.000 1.973 382 Q N 0.776 120.660 119.800 0.140 0.000 2.389 382 Q HA 0.609 4.949 4.340 0.000 0.000 0.277 382 Q C -1.882 174.213 176.000 0.157 0.000 1.082 382 Q CA -0.678 55.255 55.803 0.218 0.000 0.810 382 Q CB 2.631 31.636 28.738 0.444 0.000 1.374 382 Q HN 0.115 nan 8.270 nan 0.000 0.422 383 S N 2.184 117.986 115.700 0.170 0.000 2.588 383 S HA 0.722 5.192 4.470 0.000 0.000 0.269 383 S C -2.097 172.644 174.600 0.235 0.000 1.157 383 S CA -0.589 57.731 58.200 0.200 0.000 0.824 383 S CB 1.342 64.682 63.200 0.233 0.000 1.126 383 S HN 0.591 nan 8.310 nan 0.000 0.464 384 L N 3.237 124.548 121.223 0.145 0.000 2.386 384 L HA 0.763 5.103 4.340 0.000 0.000 0.271 384 L C -1.592 175.204 176.870 -0.123 0.000 0.993 384 L CA -0.367 54.493 54.840 0.034 0.000 0.819 384 L CB 1.496 43.518 42.059 -0.062 0.000 1.294 384 L HN 0.725 nan 8.230 nan 0.000 0.414 385 I N 5.220 125.710 120.570 -0.133 0.000 2.378 385 I HA 0.436 4.606 4.170 0.000 0.000 0.291 385 I C -0.891 175.068 176.117 -0.262 0.000 0.992 385 I CA -0.917 60.242 61.300 -0.235 0.000 1.154 385 I CB 1.939 39.866 38.000 -0.121 0.000 1.315 385 I HN 0.281 nan 8.210 nan 0.000 0.448 386 V N 7.337 127.004 119.914 -0.412 0.000 2.334 386 V HA 0.240 4.360 4.120 0.000 0.000 0.281 386 V C 0.099 176.096 176.094 -0.162 0.000 1.016 386 V CA -0.699 61.421 62.300 -0.300 0.000 0.832 386 V CB 1.610 33.097 31.823 -0.561 0.000 0.999 386 V HN 0.387 nan 8.190 nan 0.000 0.439 387 V N 4.686 124.559 119.914 -0.067 0.000 2.427 387 V HA 0.201 4.321 4.120 0.000 0.000 0.268 387 V C 0.371 176.470 176.094 0.008 0.000 1.046 387 V CA -0.210 62.066 62.300 -0.039 0.000 0.970 387 V CB 0.718 32.530 31.823 -0.019 0.000 1.001 387 V HN 0.962 nan 8.190 nan 0.000 0.476 388 C N 3.659 122.959 119.300 -0.000 0.000 2.364 388 C HA 0.275 4.736 4.460 0.000 0.000 0.356 388 C C 1.978 176.976 174.990 0.013 0.000 1.201 388 C CA -0.501 58.531 59.018 0.023 0.000 2.227 388 C CB 1.101 28.851 27.740 0.016 0.000 2.387 388 C HN 1.035 nan 8.230 nan 0.000 0.546 389 E N 1.638 121.855 120.200 0.027 0.000 2.077 389 E HA -0.173 4.178 4.350 0.000 0.000 0.193 389 E C 0.460 177.069 176.600 0.014 0.000 0.989 389 E CA 1.749 58.163 56.400 0.024 0.000 0.800 389 E CB 0.178 29.898 29.700 0.033 0.000 0.746 389 E HN 0.913 nan 8.360 nan 0.000 0.452 390 N N -3.448 115.258 118.700 0.009 0.000 3.339 390 N HA 0.001 4.742 4.740 0.000 0.000 0.275 390 N C 0.178 175.687 175.510 -0.003 0.000 1.514 390 N CA -0.124 52.931 53.050 0.007 0.000 0.879 390 N CB 0.862 39.361 38.487 0.020 0.000 1.557 390 N HN -0.187 nan 8.380 nan 0.000 0.524 391 V N -0.180 119.742 119.914 0.013 0.000 2.407 391 V HA -0.159 3.961 4.120 0.000 0.000 0.248 391 V C 2.418 178.523 176.094 0.018 0.000 1.055 391 V CA 2.597 64.909 62.300 0.020 0.000 1.049 391 V CB -1.427 30.463 31.823 0.113 0.000 0.662 391 V HN 0.845 nan 8.190 nan 0.000 0.455 392 A N 0.072 122.907 122.820 0.024 0.000 1.933 392 A HA -0.300 4.020 4.320 0.000 0.000 0.218 392 A C 2.079 179.669 177.584 0.009 0.000 1.175 392 A CA 2.134 54.181 52.037 0.017 0.000 0.628 392 A CB -0.656 18.355 19.000 0.020 0.000 0.814 392 A HN 0.587 nan 8.150 nan 0.000 0.444 393 D N -0.755 119.652 120.400 0.012 0.000 2.117 393 D HA -0.186 4.455 4.640 0.000 0.000 0.197 393 D C 1.916 178.214 176.300 -0.002 0.000 0.987 393 D CA 1.692 55.703 54.000 0.017 0.000 0.829 393 D CB -0.290 40.527 40.800 0.028 0.000 0.961 393 D HN 0.441 nan 8.370 nan 0.000 0.460 394 M N -0.447 119.141 119.600 -0.020 0.000 2.086 394 M HA -0.127 4.353 4.480 0.000 0.000 0.261 394 M C 2.037 178.306 176.300 -0.053 0.000 1.067 394 M CA 1.273 56.550 55.300 -0.038 0.000 1.116 394 M CB -0.038 32.537 32.600 -0.042 0.000 1.348 394 M HN 0.077 nan 8.290 nan 0.000 0.407 395 L N -1.008 120.183 121.223 -0.052 0.000 2.083 395 L HA -0.190 4.150 4.340 0.000 0.000 0.209 395 L C 2.687 179.524 176.870 -0.055 0.000 1.083 395 L CA 1.387 56.181 54.840 -0.076 0.000 0.752 395 L CB -0.858 41.175 42.059 -0.042 0.000 0.899 395 L HN 0.420 nan 8.230 nan 0.000 0.433 396 S N 0.284 115.969 115.700 -0.024 0.000 2.368 396 S HA -0.151 4.319 4.470 0.000 0.000 0.225 396 S C 2.007 176.611 174.600 0.008 0.000 1.030 396 S CA 1.159 59.358 58.200 -0.001 0.000 0.999 396 S CB -0.181 63.030 63.200 0.018 0.000 0.844 396 S HN 0.325 nan 8.310 nan 0.000 0.459 397 L N 1.684 122.897 121.223 -0.018 0.000 2.093 397 L HA -0.066 4.274 4.340 0.000 0.000 0.208 397 L C 2.866 179.717 176.870 -0.031 0.000 1.085 397 L CA 1.445 56.273 54.840 -0.020 0.000 0.755 397 L CB -0.779 41.142 42.059 -0.230 0.000 0.904 397 L HN 0.518 nan 8.230 nan 0.000 0.435 398 S N -0.984 114.679 115.700 -0.061 0.000 2.423 398 S HA -0.144 4.326 4.470 0.000 0.000 0.231 398 S C 1.674 176.286 174.600 0.019 0.000 1.014 398 S CA 0.713 58.910 58.200 -0.004 0.000 0.965 398 S CB -0.268 62.831 63.200 -0.168 0.000 0.785 398 S HN 0.392 nan 8.310 nan 0.000 0.495 399 E N 1.035 121.239 120.200 0.007 0.000 2.338 399 E HA 0.072 4.422 4.350 0.000 0.000 0.197 399 E C 1.421 178.050 176.600 0.047 0.000 1.007 399 E CA 0.814 57.225 56.400 0.018 0.000 0.849 399 E CB -0.239 29.466 29.700 0.009 0.000 0.774 399 E HN 0.686 nan 8.360 nan 0.000 0.506 400 M N 0.207 119.854 119.600 0.079 0.000 2.333 400 M HA 0.171 4.651 4.480 0.000 0.000 0.257 400 M C 0.285 176.671 176.300 0.143 0.000 1.078 400 M CA -0.144 55.215 55.300 0.099 0.000 1.005 400 M CB 0.626 33.288 32.600 0.103 0.000 1.444 400 M HN -0.125 nan 8.290 nan 0.000 0.496 401 L N 0.903 122.228 121.223 0.170 0.000 2.461 401 L HA 0.288 4.628 4.340 0.000 0.000 0.272 401 L C 0.773 177.742 176.870 0.165 0.000 1.197 401 L CA -0.647 54.326 54.840 0.221 0.000 0.836 401 L CB 0.410 42.615 42.059 0.245 0.000 1.105 401 L HN 0.148 nan 8.230 nan 0.000 0.477 402 A N 1.945 124.870 122.820 0.175 0.000 2.257 402 A HA 0.594 4.914 4.320 0.000 0.000 0.289 402 A C 0.518 178.179 177.584 0.128 0.000 1.095 402 A CA 0.005 52.123 52.037 0.136 0.000 0.836 402 A CB 0.269 19.346 19.000 0.127 0.000 1.111 402 A HN 0.779 nan 8.150 nan 0.000 0.497 403 G N -0.426 108.438 108.800 0.106 0.000 2.484 403 G HA2 0.432 4.392 3.960 0.000 0.000 0.235 403 G HA3 0.432 4.392 3.960 0.000 0.000 0.235 403 G C 0.101 175.048 174.900 0.079 0.000 1.282 403 G CA 0.854 46.006 45.100 0.087 0.000 0.857 403 G HN 1.147 nan 8.290 nan 0.000 0.571 404 S N 0.681 116.429 115.700 0.080 0.000 2.579 404 S HA 0.370 4.840 4.470 0.000 0.000 0.272 404 S C 1.153 175.788 174.600 0.059 0.000 1.141 404 S CA -0.837 57.413 58.200 0.084 0.000 0.843 404 S CB 1.296 64.575 63.200 0.131 0.000 1.122 404 S HN 0.420 nan 8.310 nan 0.000 0.468 405 L N 1.752 123.000 121.223 0.042 0.000 2.056 405 L HA 0.103 4.443 4.340 0.000 0.000 0.207 405 L C 1.357 178.260 176.870 0.055 0.000 1.078 405 L CA 1.416 56.253 54.840 -0.006 0.000 0.749 405 L CB -0.404 41.619 42.059 -0.059 0.000 0.901 405 L HN 0.874 nan 8.230 nan 0.000 0.433 406 T N -3.371 111.245 114.554 0.103 0.000 2.864 406 T HA 0.792 5.142 4.350 0.000 0.000 0.289 406 T C -0.898 173.892 174.700 0.150 0.000 1.082 406 T CA -0.437 61.739 62.100 0.127 0.000 1.009 406 T CB 2.569 71.528 68.868 0.152 0.000 1.234 406 T HN 0.052 nan 8.240 nan 0.000 0.526 407 A N 0.979 123.890 122.820 0.152 0.000 2.465 407 A HA 0.696 5.016 4.320 0.000 0.000 0.292 407 A C -0.381 177.300 177.584 0.162 0.000 1.041 407 A CA -0.768 51.386 52.037 0.196 0.000 0.718 407 A CB 1.400 20.514 19.000 0.189 0.000 1.266 407 A HN 0.908 nan 8.150 nan 0.000 0.403 408 T N 2.290 116.950 114.554 0.176 0.000 2.885 408 T HA 0.736 5.086 4.350 0.000 0.000 0.285 408 T C -0.411 174.331 174.700 0.070 0.000 1.019 408 T CA -0.229 61.895 62.100 0.041 0.000 1.010 408 T CB 1.052 69.885 68.868 -0.059 0.000 1.022 408 T HN 0.486 nan 8.240 nan 0.000 0.466 409 I N 2.191 122.685 120.570 -0.127 0.000 2.533 409 I HA 0.322 4.492 4.170 0.000 0.000 0.290 409 I C -0.727 175.068 176.117 -0.538 0.000 1.056 409 I CA -0.852 60.397 61.300 -0.084 0.000 1.057 409 I CB 1.860 39.921 38.000 0.103 0.000 1.240 409 I HN 0.515 nan 8.210 nan 0.000 0.423 410 H N 5.219 124.180 119.070 -0.181 0.000 2.638 410 H HA 0.788 5.344 4.556 0.000 0.000 0.317 410 H C -0.739 174.535 175.328 -0.089 0.000 1.006 410 H CA -0.348 55.524 56.048 -0.293 0.000 1.222 410 H CB 1.888 31.504 29.762 -0.244 0.000 1.419 410 H HN 0.785 nan 8.280 nan 0.000 0.489 411 A N 2.454 125.177 122.820 -0.162 0.000 2.581 411 A HA 0.641 4.961 4.320 0.000 0.000 0.290 411 A C -0.266 177.357 177.584 0.065 0.000 1.119 411 A CA -0.509 51.525 52.037 -0.005 0.000 0.670 411 A CB 1.502 20.440 19.000 -0.104 0.000 1.280 411 A HN 0.567 nan 8.150 nan 0.000 0.425 412 T N -2.398 112.201 114.554 0.074 0.000 2.883 412 T HA 0.587 4.937 4.350 0.000 0.000 0.284 412 T C 0.530 175.112 174.700 -0.197 0.000 1.041 412 T CA 0.007 62.129 62.100 0.037 0.000 1.007 412 T CB 1.140 69.993 68.868 -0.024 0.000 1.220 412 T HN 0.462 nan 8.240 nan 0.000 0.552 413 E N 0.534 120.395 120.200 -0.564 0.000 2.187 413 E HA -0.194 4.156 4.350 0.000 0.000 0.199 413 E C 1.915 178.105 176.600 -0.683 0.000 1.004 413 E CA 1.894 57.554 56.400 -1.234 0.000 0.813 413 E CB -0.308 28.956 29.700 -0.727 0.000 0.736 413 E HN 0.913 nan 8.360 nan 0.000 0.468 414 E N 0.396 120.403 120.200 -0.322 0.000 2.409 414 E HA -0.179 4.171 4.350 0.000 0.000 0.198 414 E C 0.625 177.147 176.600 -0.131 0.000 1.024 414 E CA 1.104 57.398 56.400 -0.176 0.000 0.861 414 E CB 0.088 29.728 29.700 -0.099 0.000 0.788 414 E HN 0.216 nan 8.360 nan 0.000 0.521 415 D N -0.263 120.043 120.400 -0.157 0.000 2.367 415 D HA -0.041 4.599 4.640 0.000 0.000 0.207 415 D C 1.000 177.242 176.300 -0.097 0.000 1.034 415 D CA 0.038 53.894 54.000 -0.241 0.000 0.861 415 D CB -0.077 40.328 40.800 -0.659 0.000 0.943 415 D HN 0.190 nan 8.370 nan 0.000 0.515 416 Y N 1.102 121.290 120.300 -0.187 0.000 2.173 416 Y HA -0.168 4.383 4.550 0.000 0.000 0.282 416 Y C -0.420 175.404 175.900 -0.126 0.000 1.192 416 Y CA 0.721 58.735 58.100 -0.144 0.000 1.176 416 Y CB -2.020 36.378 38.460 -0.103 0.000 0.969 416 Y HN 0.177 nan 8.280 nan 0.000 0.519 417 P HA -0.140 nan 4.420 nan 0.000 0.216 417 P C 1.402 178.701 177.300 -0.002 0.000 1.153 417 P CA 1.871 64.981 63.100 0.017 0.000 0.848 417 P CB 0.047 31.756 31.700 0.014 0.000 0.787 418 Q N -1.154 118.640 119.800 -0.011 0.000 2.137 418 Q HA -0.034 4.306 4.340 0.000 0.000 0.198 418 Q C 2.102 178.109 176.000 0.011 0.000 0.960 418 Q CA 0.883 56.707 55.803 0.035 0.000 0.847 418 Q CB -1.345 27.488 28.738 0.157 0.000 0.915 418 Q HN 0.046 nan 8.270 nan 0.000 0.448 419 V N 0.206 120.067 119.914 -0.090 0.000 2.392 419 V HA -0.273 3.847 4.120 0.000 0.000 0.249 419 V C 1.992 178.033 176.094 -0.088 0.000 1.059 419 V CA 1.960 64.210 62.300 -0.082 0.000 1.051 419 V CB -0.662 31.085 31.823 -0.127 0.000 0.658 419 V HN 0.318 nan 8.190 nan 0.000 0.455 420 S N -0.702 114.941 115.700 -0.095 0.000 2.419 420 S HA -0.212 4.258 4.470 0.000 0.000 0.235 420 S C 1.982 176.539 174.600 -0.071 0.000 1.019 420 S CA 1.166 59.307 58.200 -0.097 0.000 0.982 420 S CB -0.227 62.929 63.200 -0.075 0.000 0.789 420 S HN 0.594 nan 8.310 nan 0.000 0.490 421 Q N 0.079 119.849 119.800 -0.050 0.000 2.250 421 Q HA 0.202 4.542 4.340 0.000 0.000 0.200 421 Q C 2.117 178.076 176.000 -0.068 0.000 0.941 421 Q CA 0.428 56.204 55.803 -0.045 0.000 0.872 421 Q CB -0.604 28.120 28.738 -0.023 0.000 0.965 421 Q HN 0.425 nan 8.270 nan 0.000 0.480 422 L N 0.634 121.808 121.223 -0.081 0.000 2.072 422 L HA -0.010 4.330 4.340 0.000 0.000 0.205 422 L C 2.018 178.799 176.870 -0.149 0.000 1.079 422 L CA 1.173 55.920 54.840 -0.154 0.000 0.752 422 L CB -0.494 41.457 42.059 -0.180 0.000 0.906 422 L HN 0.070 nan 8.230 nan 0.000 0.436 423 I N 0.199 120.704 120.570 -0.109 0.000 2.118 423 I HA -0.267 3.903 4.170 0.000 0.000 0.241 423 I C -0.327 175.746 176.117 -0.074 0.000 1.070 423 I CA 1.553 62.798 61.300 -0.092 0.000 1.327 423 I CB -1.603 36.335 38.000 -0.102 0.000 1.034 423 I HN 0.250 nan 8.210 nan 0.000 0.405 424 P HA -0.129 nan 4.420 nan 0.000 0.219 424 P C 1.374 178.647 177.300 -0.045 0.000 1.146 424 P CA 1.427 64.497 63.100 -0.051 0.000 0.808 424 P CB -0.042 31.629 31.700 -0.047 0.000 0.779 425 R N -0.875 119.588 120.500 -0.062 0.000 2.075 425 R HA 0.068 4.408 4.340 0.000 0.000 0.226 425 R C 2.248 178.524 176.300 -0.040 0.000 1.114 425 R CA 0.966 57.033 56.100 -0.055 0.000 0.972 425 R CB -0.884 29.364 30.300 -0.087 0.000 0.869 425 R HN 0.220 nan 8.270 nan 0.000 0.437 426 L N 0.754 121.941 121.223 -0.060 0.000 2.201 426 L HA -0.105 4.235 4.340 0.000 0.000 0.212 426 L C 1.991 178.867 176.870 0.011 0.000 1.105 426 L CA 1.184 56.014 54.840 -0.016 0.000 0.775 426 L CB -0.391 41.649 42.059 -0.032 0.000 0.913 426 L HN 0.236 nan 8.230 nan 0.000 0.440 427 E N 0.459 120.656 120.200 -0.006 0.000 2.110 427 E HA -0.231 4.119 4.350 0.000 0.000 0.193 427 E C 1.901 178.508 176.600 0.012 0.000 0.988 427 E CA 1.161 57.562 56.400 0.002 0.000 0.804 427 E CB -0.020 29.673 29.700 -0.012 0.000 0.745 427 E HN 0.551 nan 8.360 nan 0.000 0.458 428 E N 0.142 120.348 120.200 0.009 0.000 2.274 428 E HA -0.127 4.223 4.350 0.000 0.000 0.194 428 E C 1.667 178.287 176.600 0.033 0.000 0.996 428 E CA 0.786 57.195 56.400 0.016 0.000 0.840 428 E CB 0.087 29.793 29.700 0.009 0.000 0.772 428 E HN 0.368 nan 8.360 nan 0.000 0.491 429 I N -3.904 116.694 120.570 0.046 0.000 4.227 429 I HA 0.354 4.525 4.170 0.000 0.000 0.334 429 I C 0.360 176.523 176.117 0.077 0.000 1.341 429 I CA -0.523 60.818 61.300 0.069 0.000 1.123 429 I CB 1.001 39.056 38.000 0.092 0.000 1.097 429 I HN -0.183 nan 8.210 nan 0.000 0.399 430 A N 0.523 123.384 122.820 0.067 0.000 2.454 430 A HA 0.789 5.109 4.320 0.000 0.000 0.302 430 A C 0.919 178.536 177.584 0.055 0.000 1.079 430 A CA -0.161 51.919 52.037 0.071 0.000 0.731 430 A CB 1.088 20.143 19.000 0.092 0.000 1.299 430 A HN 0.175 nan 8.150 nan 0.000 0.413 431 G N -0.331 108.500 108.800 0.052 0.000 2.494 431 G HA2 0.275 4.236 3.960 0.000 0.000 0.216 431 G HA3 0.275 4.236 3.960 0.000 0.000 0.216 431 G C 0.684 175.621 174.900 0.062 0.000 1.140 431 G CA 0.563 45.692 45.100 0.049 0.000 0.801 431 G HN 0.782 nan 8.290 nan 0.000 0.536 432 R N -0.309 120.235 120.500 0.074 0.000 2.533 432 R HA 0.517 4.857 4.340 0.000 0.000 0.288 432 R C -1.445 174.905 176.300 0.084 0.000 1.039 432 R CA -0.644 55.507 56.100 0.084 0.000 0.909 432 R CB 1.084 31.452 30.300 0.112 0.000 1.195 432 R HN 0.002 nan 8.270 nan 0.000 0.438 433 L N 4.641 125.905 121.223 0.069 0.000 2.295 433 L HA 0.564 4.905 4.340 0.000 0.000 0.285 433 L C -0.573 176.339 176.870 0.070 0.000 1.035 433 L CA -1.188 53.693 54.840 0.068 0.000 0.806 433 L CB 1.853 43.939 42.059 0.046 0.000 1.214 433 L HN 0.328 nan 8.230 nan 0.000 0.426 434 V N 3.454 123.406 119.914 0.062 0.000 2.448 434 V HA 0.372 4.492 4.120 0.000 0.000 0.295 434 V C -0.682 175.406 176.094 -0.010 0.000 1.025 434 V CA -0.476 61.842 62.300 0.030 0.000 0.859 434 V CB 1.937 33.762 31.823 0.003 0.000 0.988 434 V HN 0.412 nan 8.190 nan 0.000 0.431 435 F N 4.810 124.667 119.950 -0.156 0.000 2.427 435 F HA 0.517 5.044 4.527 0.000 0.000 0.346 435 F C 0.958 176.606 175.800 -0.254 0.000 1.120 435 F CA -0.572 57.305 58.000 -0.205 0.000 1.033 435 F CB 1.075 39.990 39.000 -0.140 0.000 1.126 435 F HN 0.644 nan 8.300 nan 0.000 0.462 436 N N 3.126 121.229 118.700 -0.995 0.000 2.714 436 N HA -0.199 4.541 4.740 0.000 0.000 0.252 436 N C -0.276 175.012 175.510 -0.369 0.000 1.014 436 N CA 1.181 53.811 53.050 -0.699 0.000 0.735 436 N CB -0.987 37.270 38.487 -0.382 0.000 0.924 436 N HN 0.978 nan 8.380 nan 0.000 0.540 437 G N -1.972 106.481 108.800 -0.580 0.000 2.682 437 G HA2 0.617 4.578 3.960 0.000 0.000 0.303 437 G HA3 0.617 4.578 3.960 0.000 0.000 0.303 437 G C -1.745 172.792 174.900 -0.606 0.000 1.341 437 G CA -0.910 44.004 45.100 -0.310 0.000 0.784 437 G HN 0.120 nan 8.290 nan 0.000 0.497 438 W N 0.291 121.679 121.300 0.145 0.000 2.666 438 W HA 0.513 5.173 4.660 0.000 0.000 0.334 438 W C -1.250 175.342 176.519 0.120 0.000 1.051 438 W CA -1.840 55.600 57.345 0.159 0.000 1.224 438 W CB 2.146 31.696 29.460 0.151 0.000 1.405 438 W HN 0.401 nan 8.180 nan 0.000 0.513 439 P HA -0.160 nan 4.420 nan 0.000 0.225 439 P C 1.270 178.725 177.300 0.258 0.000 1.148 439 P CA 1.765 65.014 63.100 0.247 0.000 0.779 439 P CB -0.070 31.774 31.700 0.241 0.000 0.780 440 T N -1.469 113.235 114.554 0.250 0.000 2.635 440 T HA -0.100 4.250 4.350 0.000 0.000 0.267 440 T C 1.496 176.375 174.700 0.298 0.000 1.040 440 T CA 1.112 63.341 62.100 0.216 0.000 1.156 440 T CB -1.677 67.148 68.868 -0.070 0.000 0.863 440 T HN 0.201 nan 8.240 nan 0.000 0.430 441 G N 1.073 110.013 108.800 0.232 0.000 2.398 441 G HA2 0.444 4.404 3.960 0.000 0.000 0.246 441 G HA3 0.444 4.404 3.960 0.000 0.000 0.246 441 G C -0.813 174.206 174.900 0.199 0.000 1.289 441 G CA -0.540 44.698 45.100 0.230 0.000 0.869 441 G HN 0.435 nan 8.290 nan 0.000 0.543 442 V N 3.044 123.060 119.914 0.169 0.000 2.340 442 V HA 0.158 4.278 4.120 0.000 0.000 0.277 442 V C 0.013 176.148 176.094 0.069 0.000 1.017 442 V CA -0.826 61.540 62.300 0.110 0.000 0.820 442 V CB 1.084 32.928 31.823 0.034 0.000 1.028 442 V HN 0.860 nan 8.190 nan 0.000 0.436 443 E N 3.545 123.787 120.200 0.071 0.000 2.415 443 E HA 0.130 4.480 4.350 0.000 0.000 0.260 443 E C -0.251 176.350 176.600 0.001 0.000 1.016 443 E CA 0.128 56.553 56.400 0.043 0.000 0.924 443 E CB 1.125 30.857 29.700 0.053 0.000 0.961 443 E HN 0.440 nan 8.360 nan 0.000 0.459 444 V N 6.068 125.960 119.914 -0.036 0.000 2.222 444 V HA 0.437 4.557 4.120 0.000 0.000 0.253 444 V C 0.817 176.819 176.094 -0.153 0.000 1.210 444 V CA 0.477 62.715 62.300 -0.103 0.000 1.079 444 V CB -0.017 31.732 31.823 -0.124 0.000 1.265 444 V HN 0.730 nan 8.190 nan 0.000 0.494 445 G N 1.162 109.879 108.800 -0.138 0.000 3.286 445 G HA2 0.367 4.327 3.960 0.000 0.000 0.166 445 G HA3 0.367 4.327 3.960 0.000 0.000 0.166 445 G C -0.089 174.628 174.900 -0.304 0.000 1.155 445 G CA -0.106 44.893 45.100 -0.168 0.000 0.871 445 G HN 0.321 nan 8.290 nan 0.000 0.637 446 Y N -0.118 120.161 120.300 -0.036 0.000 2.524 446 Y HA 0.383 4.933 4.550 0.000 0.000 0.270 446 Y C 2.670 178.579 175.900 0.013 0.000 1.094 446 Y CA 0.702 58.790 58.100 -0.020 0.000 1.276 446 Y CB 0.557 39.007 38.460 -0.016 0.000 1.130 446 Y HN 0.376 nan 8.280 nan 0.000 0.536 447 A N -0.347 122.568 122.820 0.158 0.000 2.238 447 A HA 0.149 4.469 4.320 0.000 0.000 0.210 447 A C 0.976 178.613 177.584 0.088 0.000 1.179 447 A CA -0.142 51.962 52.037 0.112 0.000 0.827 447 A CB -0.597 18.458 19.000 0.093 0.000 0.856 447 A HN 0.235 nan 8.150 nan 0.000 0.488 448 M N 0.797 120.441 119.600 0.074 0.000 2.250 448 M HA 0.261 4.741 4.480 0.000 0.000 0.337 448 M C -0.848 175.515 176.300 0.104 0.000 1.161 448 M CA 0.500 55.849 55.300 0.083 0.000 1.088 448 M CB 0.467 33.104 32.600 0.063 0.000 1.639 448 M HN -0.048 nan 8.290 nan 0.000 0.447 449 V N 5.935 125.924 119.914 0.126 0.000 2.398 449 V HA 0.230 4.350 4.120 0.000 0.000 0.282 449 V C -1.387 174.816 176.094 0.181 0.000 1.014 449 V CA -0.597 61.781 62.300 0.131 0.000 0.838 449 V CB 0.734 32.614 31.823 0.095 0.000 1.018 449 V HN 0.858 nan 8.190 nan 0.000 0.432 450 H N 3.347 122.477 119.070 0.100 0.000 2.661 450 H HA 0.770 5.327 4.556 0.000 0.000 0.290 450 H C 0.316 175.723 175.328 0.131 0.000 1.082 450 H CA 0.918 57.040 56.048 0.123 0.000 1.234 450 H CB 1.017 30.870 29.762 0.151 0.000 1.387 450 H HN 0.881 nan 8.280 nan 0.000 0.476 451 G N 2.162 110.889 108.800 -0.122 0.000 2.439 451 G HA2 0.457 4.417 3.960 0.000 0.000 0.186 451 G HA3 0.457 4.417 3.960 0.000 0.000 0.186 451 G C -0.178 174.714 174.900 -0.014 0.000 1.260 451 G CA -0.168 44.900 45.100 -0.053 0.000 1.020 451 G HN 1.301 nan 8.290 nan 0.000 0.470 452 G N -1.165 107.653 108.800 0.029 0.000 2.334 452 G HA2 0.502 4.462 3.960 0.000 0.000 0.315 452 G HA3 0.502 4.462 3.960 0.000 0.000 0.315 452 G C -3.398 171.528 174.900 0.044 0.000 1.284 452 G CA 0.151 45.271 45.100 0.033 0.000 0.985 452 G HN 0.859 nan 8.290 nan 0.000 0.504 453 P HA 0.272 nan 4.420 nan 0.000 0.268 453 P C -0.346 177.013 177.300 0.098 0.000 1.208 453 P CA -0.053 63.090 63.100 0.072 0.000 0.777 453 P CB 0.196 31.937 31.700 0.067 0.000 0.875 454 Y N 4.942 125.232 120.300 -0.018 0.000 2.712 454 Y HA 0.020 4.571 4.550 0.000 0.000 0.333 454 Y C -1.029 174.868 175.900 -0.006 0.000 1.225 454 Y CA -0.767 57.312 58.100 -0.035 0.000 1.499 454 Y CB 0.228 38.635 38.460 -0.088 0.000 1.288 454 Y HN 0.402 nan 8.280 nan 0.000 0.575 455 P HA 0.019 nan 4.420 nan 0.000 0.249 455 P C 0.768 177.870 177.300 -0.330 0.000 1.229 455 P CA 1.125 63.745 63.100 -0.799 0.000 0.788 455 P CB 0.073 31.373 31.700 -0.666 0.000 1.072 456 A N 0.107 122.853 122.820 -0.123 0.000 1.958 456 A HA -0.095 4.225 4.320 0.000 0.000 0.221 456 A C 1.408 178.978 177.584 -0.022 0.000 1.178 456 A CA 1.809 53.818 52.037 -0.047 0.000 0.642 456 A CB -0.806 18.189 19.000 -0.009 0.000 0.816 456 A HN 0.422 nan 8.150 nan 0.000 0.453 457 S N -3.891 111.809 115.700 0.000 0.000 2.570 457 S HA 0.414 4.884 4.470 0.000 0.000 0.270 457 S C 0.418 175.096 174.600 0.130 0.000 1.149 457 S CA 0.302 58.559 58.200 0.096 0.000 0.837 457 S CB 1.266 64.548 63.200 0.137 0.000 1.124 457 S HN 0.665 nan 8.310 nan 0.000 0.465 458 T N 0.022 114.698 114.554 0.204 0.000 3.086 458 T HA 0.261 4.611 4.350 0.000 0.000 0.250 458 T C 0.212 175.061 174.700 0.248 0.000 1.074 458 T CA 0.465 62.654 62.100 0.149 0.000 0.988 458 T CB -0.428 68.469 68.868 0.050 0.000 0.988 458 T HN 0.690 nan 8.240 nan 0.000 0.530 459 H N 0.868 120.044 119.070 0.178 0.000 2.661 459 H HA 0.434 4.990 4.556 0.000 0.000 0.243 459 H C 1.161 176.597 175.328 0.179 0.000 1.410 459 H CA -0.266 55.893 56.048 0.186 0.000 1.509 459 H CB 0.672 30.582 29.762 0.246 0.000 1.761 459 H HN 0.124 nan 8.280 nan 0.000 0.576 460 S N 1.650 117.323 115.700 -0.045 0.000 2.440 460 S HA -0.125 4.345 4.470 0.000 0.000 0.238 460 S C 1.579 176.106 174.600 -0.120 0.000 1.010 460 S CA 0.641 58.815 58.200 -0.044 0.000 0.972 460 S CB -0.023 63.169 63.200 -0.014 0.000 0.774 460 S HN 0.574 nan 8.310 nan 0.000 0.501 461 A N 1.533 124.143 122.820 -0.350 0.000 3.135 461 A HA 0.629 4.949 4.320 0.000 0.000 0.253 461 A C 0.608 178.132 177.584 -0.101 0.000 1.638 461 A CA 0.012 51.904 52.037 -0.242 0.000 1.295 461 A CB -0.887 17.962 19.000 -0.252 0.000 1.106 461 A HN 0.918 nan 8.150 nan 0.000 0.648 462 S N -1.287 114.430 115.700 0.029 0.000 2.656 462 S HA 0.684 5.154 4.470 0.000 0.000 0.265 462 S C -0.704 173.958 174.600 0.104 0.000 1.132 462 S CA -0.047 58.229 58.200 0.126 0.000 0.819 462 S CB 1.256 64.640 63.200 0.307 0.000 1.119 462 S HN 0.898 nan 8.310 nan 0.000 0.476 463 T N 0.101 114.702 114.554 0.078 0.000 2.933 463 T HA 0.633 4.983 4.350 0.000 0.000 0.305 463 T C 0.593 175.349 174.700 0.095 0.000 1.092 463 T CA 0.137 62.306 62.100 0.114 0.000 1.008 463 T CB 1.567 70.509 68.868 0.123 0.000 1.102 463 T HN 1.463 nan 8.240 nan 0.000 0.469 464 S N 2.275 118.085 115.700 0.184 0.000 2.556 464 S HA 0.396 4.866 4.470 0.000 0.000 0.216 464 S C 0.249 174.930 174.600 0.136 0.000 0.970 464 S CA -0.207 58.101 58.200 0.179 0.000 0.912 464 S CB 0.136 63.521 63.200 0.308 0.000 0.790 464 S HN 0.497 nan 8.310 nan 0.000 0.504 465 V N 0.825 120.825 119.914 0.144 0.000 2.841 465 V HA 0.808 4.928 4.120 0.000 0.000 0.310 465 V C 0.343 176.479 176.094 0.070 0.000 1.090 465 V CA 0.164 62.495 62.300 0.051 0.000 0.930 465 V CB 1.018 32.810 31.823 -0.052 0.000 1.014 465 V HN 0.754 nan 8.190 nan 0.000 0.425 466 G N 2.629 111.434 108.800 0.009 0.000 2.619 466 G HA2 0.345 4.305 3.960 0.000 0.000 0.686 466 G HA3 0.345 4.305 3.960 0.000 0.000 0.686 466 G C 0.565 175.409 174.900 -0.094 0.000 1.256 466 G CA -0.174 44.875 45.100 -0.085 0.000 0.826 466 G HN 1.632 nan 8.290 nan 0.000 0.619 467 A N -0.314 122.336 122.820 -0.283 0.000 1.986 467 A HA 0.001 4.321 4.320 0.000 0.000 0.220 467 A C 1.993 179.639 177.584 0.103 0.000 1.171 467 A CA 2.408 54.308 52.037 -0.228 0.000 0.640 467 A CB -0.321 18.498 19.000 -0.302 0.000 0.811 467 A HN 0.749 nan 8.150 nan 0.000 0.451 468 E N -0.145 120.135 120.200 0.134 0.000 2.478 468 E HA 0.015 4.365 4.350 0.000 0.000 0.198 468 E C 2.029 178.712 176.600 0.139 0.000 1.046 468 E CA 0.775 57.305 56.400 0.217 0.000 0.870 468 E CB -0.486 29.353 29.700 0.232 0.000 0.818 468 E HN 0.630 nan 8.360 nan 0.000 0.527 469 A N 1.245 124.151 122.820 0.142 0.000 2.070 469 A HA -0.125 4.195 4.320 0.000 0.000 0.220 469 A C 2.178 179.691 177.584 -0.119 0.000 1.159 469 A CA 0.647 52.705 52.037 0.035 0.000 0.656 469 A CB -0.575 18.518 19.000 0.156 0.000 0.800 469 A HN 0.304 nan 8.150 nan 0.000 0.453 470 I N -1.067 119.475 120.570 -0.046 0.000 2.361 470 I HA -0.238 3.932 4.170 0.000 0.000 0.251 470 I C 2.026 177.998 176.117 -0.243 0.000 1.133 470 I CA 1.235 62.466 61.300 -0.115 0.000 1.413 470 I CB -0.218 37.758 38.000 -0.041 0.000 1.073 470 I HN 0.418 nan 8.210 nan 0.000 0.424 471 H N 0.967 119.992 119.070 -0.076 0.000 2.521 471 H HA -0.071 4.485 4.556 0.000 0.000 0.286 471 H C 2.105 177.272 175.328 -0.269 0.000 1.034 471 H CA 0.871 56.855 56.048 -0.106 0.000 1.278 471 H CB -0.245 29.497 29.762 -0.032 0.000 1.386 471 H HN 0.430 nan 8.280 nan 0.000 0.567 472 R N -0.070 120.093 120.500 -0.561 0.000 2.193 472 R HA -0.142 4.199 4.340 0.000 0.000 0.229 472 R C 0.922 176.721 176.300 -0.835 0.000 1.110 472 R CA 1.304 56.767 56.100 -1.062 0.000 0.988 472 R CB -0.112 28.836 30.300 -2.253 0.000 0.871 472 R HN 0.412 nan 8.270 nan 0.000 0.458 473 W N 0.477 121.729 121.300 -0.080 0.000 3.102 473 W HA 0.343 5.003 4.660 0.000 0.000 0.401 473 W C -0.357 176.157 176.519 -0.009 0.000 1.070 473 W CA -0.668 56.666 57.345 -0.018 0.000 1.921 473 W CB 0.336 29.763 29.460 -0.055 0.000 1.118 473 W HN -0.155 nan 8.180 nan 0.000 0.647 474 L N 1.764 123.053 121.223 0.109 0.000 2.341 474 L HA 0.719 5.059 4.340 0.000 0.000 0.267 474 L C 0.078 176.995 176.870 0.079 0.000 1.009 474 L CA -1.408 53.477 54.840 0.075 0.000 0.819 474 L CB 2.063 44.141 42.059 0.032 0.000 1.323 474 L HN -0.087 nan 8.230 nan 0.000 0.425 475 R N 0.954 121.493 120.500 0.066 0.000 2.725 475 R HA 0.673 5.013 4.340 0.000 0.000 0.277 475 R C -3.066 173.268 176.300 0.057 0.000 0.987 475 R CA -1.844 54.294 56.100 0.063 0.000 0.901 475 R CB 1.933 32.269 30.300 0.060 0.000 1.207 475 R HN 0.202 nan 8.270 nan 0.000 0.463 476 P HA 0.233 nan 4.420 nan 0.000 0.281 476 P C -0.827 176.494 177.300 0.035 0.000 1.249 476 P CA -0.561 62.574 63.100 0.060 0.000 0.810 476 P CB 1.687 33.420 31.700 0.055 0.000 1.008 477 V N 1.507 121.448 119.914 0.046 0.000 2.638 477 V HA 0.594 4.715 4.120 0.000 0.000 0.306 477 V C 0.112 176.147 176.094 -0.098 0.000 1.052 477 V CA -0.866 61.387 62.300 -0.078 0.000 0.885 477 V CB 1.721 33.461 31.823 -0.137 0.000 0.999 477 V HN 0.776 nan 8.190 nan 0.000 0.424 478 A N 4.052 126.758 122.820 -0.191 0.000 2.306 478 A HA 0.882 5.202 4.320 0.000 0.000 0.314 478 A C -1.484 175.930 177.584 -0.285 0.000 1.164 478 A CA -0.321 51.666 52.037 -0.083 0.000 0.822 478 A CB 0.650 19.632 19.000 -0.030 0.000 1.130 478 A HN 0.736 nan 8.150 nan 0.000 0.496 479 Y N 0.399 120.707 120.300 0.014 0.000 2.331 479 Y HA 0.506 5.057 4.550 0.000 0.000 0.334 479 Y C 0.217 176.123 175.900 0.010 0.000 0.960 479 Y CA -0.351 57.756 58.100 0.012 0.000 1.130 479 Y CB 1.890 40.356 38.460 0.010 0.000 1.164 479 Y HN 0.738 nan 8.280 nan 0.000 0.458 480 Q N 2.456 122.322 119.800 0.110 0.000 2.341 480 Q HA 0.582 4.922 4.340 0.000 0.000 0.268 480 Q C 0.136 176.174 176.000 0.064 0.000 1.013 480 Q CA -0.105 55.742 55.803 0.072 0.000 0.798 480 Q CB 1.179 29.938 28.738 0.034 0.000 1.253 480 Q HN 0.969 nan 8.270 nan 0.000 0.457 481 A N 3.095 125.950 122.820 0.058 0.000 2.860 481 A HA -0.205 4.115 4.320 0.000 0.000 0.267 481 A C -0.644 176.968 177.584 0.047 0.000 1.421 481 A CA 0.518 52.581 52.037 0.043 0.000 0.831 481 A CB -1.918 17.101 19.000 0.031 0.000 1.041 481 A HN 0.613 nan 8.150 nan 0.000 0.623 482 L N 1.132 122.395 121.223 0.066 0.000 2.417 482 L HA 0.469 4.809 4.340 0.000 0.000 0.268 482 L C -1.028 175.862 176.870 0.034 0.000 1.158 482 L CA -1.063 53.814 54.840 0.062 0.000 0.819 482 L CB 0.187 42.304 42.059 0.098 0.000 1.112 482 L HN 0.342 nan 8.230 nan 0.000 0.458 483 P HA 0.104 nan 4.420 nan 0.000 0.278 483 P C 0.033 177.333 177.300 0.001 0.000 1.238 483 P CA -0.458 62.649 63.100 0.012 0.000 0.794 483 P CB 0.911 32.619 31.700 0.012 0.000 0.955 484 E N 1.301 121.497 120.200 -0.006 0.000 2.108 484 E HA -0.205 4.145 4.350 0.000 0.000 0.203 484 E C 1.832 178.419 176.600 -0.021 0.000 1.022 484 E CA 2.249 58.638 56.400 -0.018 0.000 0.823 484 E CB -0.863 28.828 29.700 -0.015 0.000 0.744 484 E HN 0.639 nan 8.360 nan 0.000 0.456 485 S N -0.050 115.643 115.700 -0.011 0.000 2.474 485 S HA -0.052 4.418 4.470 0.000 0.000 0.235 485 S C 1.960 176.555 174.600 -0.009 0.000 0.997 485 S CA 0.647 58.841 58.200 -0.010 0.000 0.949 485 S CB -0.219 62.979 63.200 -0.003 0.000 0.766 485 S HN 0.207 nan 8.310 nan 0.000 0.517 486 L N 0.033 121.252 121.223 -0.006 0.000 2.590 486 L HA 0.431 4.771 4.340 0.000 0.000 0.227 486 L C 0.475 177.333 176.870 -0.020 0.000 1.099 486 L CA -0.124 54.718 54.840 0.003 0.000 0.872 486 L CB -0.053 42.021 42.059 0.026 0.000 1.088 486 L HN 0.227 nan 8.230 nan 0.000 0.479 487 L N 1.942 123.128 121.223 -0.060 0.000 2.417 487 L HA 0.237 4.578 4.340 0.000 0.000 0.268 487 L C -1.815 174.949 176.870 -0.177 0.000 1.158 487 L CA -1.725 53.020 54.840 -0.158 0.000 0.819 487 L CB 0.551 42.518 42.059 -0.153 0.000 1.112 487 L HN -0.170 nan 8.230 nan 0.000 0.458 488 P HA 0.016 nan 4.420 nan 0.000 0.271 488 P C -0.392 176.802 177.300 -0.177 0.000 1.218 488 P CA -0.356 62.624 63.100 -0.200 0.000 0.780 488 P CB 0.866 32.417 31.700 -0.247 0.000 0.901 489 D N 1.131 121.457 120.400 -0.123 0.000 2.149 489 D HA -0.178 4.462 4.640 0.000 0.000 0.194 489 D C 1.969 178.179 176.300 -0.149 0.000 1.001 489 D CA 2.183 56.118 54.000 -0.109 0.000 0.849 489 D CB -0.664 40.092 40.800 -0.072 0.000 0.939 489 D HN 0.498 nan 8.370 nan 0.000 0.449 490 S N -0.157 115.401 115.700 -0.237 0.000 2.440 490 S HA -0.126 4.345 4.470 0.000 0.000 0.238 490 S C 1.852 176.334 174.600 -0.197 0.000 1.010 490 S CA 0.730 58.745 58.200 -0.309 0.000 0.972 490 S CB -0.336 62.467 63.200 -0.661 0.000 0.774 490 S HN 0.318 nan 8.310 nan 0.000 0.501 491 L N -0.173 120.935 121.223 -0.192 0.000 2.766 491 L HA 0.346 4.687 4.340 0.000 0.000 0.242 491 L C 0.491 177.293 176.870 -0.114 0.000 1.136 491 L CA -0.301 54.448 54.840 -0.151 0.000 0.933 491 L CB 0.066 41.995 42.059 -0.217 0.000 1.241 491 L HN 0.071 nan 8.230 nan 0.000 0.522 492 K N 0.546 120.883 120.400 -0.104 0.000 2.355 492 K HA 0.162 4.482 4.320 0.000 0.000 0.270 492 K C 1.324 177.894 176.600 -0.049 0.000 1.003 492 K CA 0.272 56.516 56.287 -0.072 0.000 0.957 492 K CB 1.390 33.852 32.500 -0.062 0.000 0.939 492 K HN 0.048 nan 8.250 nan 0.000 0.482 493 A N 3.355 126.154 122.820 -0.035 0.000 1.927 493 A HA -0.251 4.069 4.320 0.000 0.000 0.220 493 A C 1.723 179.294 177.584 -0.020 0.000 1.185 493 A CA 2.118 54.141 52.037 -0.023 0.000 0.639 493 A CB -0.585 18.405 19.000 -0.016 0.000 0.820 493 A HN 0.919 nan 8.150 nan 0.000 0.451 494 E N -0.940 119.247 120.200 -0.022 0.000 2.511 494 E HA -0.031 4.319 4.350 0.000 0.000 0.196 494 E C 0.458 177.046 176.600 -0.020 0.000 1.066 494 E CA 0.276 56.665 56.400 -0.018 0.000 0.871 494 E CB -0.348 29.342 29.700 -0.016 0.000 0.863 494 E HN 0.408 nan 8.360 nan 0.000 0.520 495 N N 1.671 120.355 118.700 -0.028 0.000 2.667 495 N HA -0.133 4.607 4.740 0.000 0.000 0.263 495 N C -1.560 173.935 175.510 -0.026 0.000 1.038 495 N CA 0.765 53.796 53.050 -0.030 0.000 0.749 495 N CB -0.298 38.177 38.487 -0.021 0.000 0.892 495 N HN 0.273 nan 8.380 nan 0.000 0.546 496 P HA -0.162 nan 4.420 nan 0.000 0.219 496 P C 1.454 178.742 177.300 -0.019 0.000 1.146 496 P CA 0.965 64.051 63.100 -0.023 0.000 0.808 496 P CB 0.160 31.845 31.700 -0.025 0.000 0.779 497 L N -0.840 120.368 121.223 -0.025 0.000 2.509 497 L HA 0.092 4.432 4.340 0.000 0.000 0.222 497 L C 0.689 177.556 176.870 -0.006 0.000 1.123 497 L CA 0.317 55.149 54.840 -0.015 0.000 0.856 497 L CB -0.954 41.093 42.059 -0.021 0.000 0.985 497 L HN -0.032 nan 8.230 nan 0.000 0.456 498 E N 1.232 121.427 120.200 -0.009 0.000 2.320 498 E HA -0.227 4.123 4.350 0.000 0.000 0.234 498 E C -0.055 176.548 176.600 0.005 0.000 1.183 498 E CA 0.344 56.742 56.400 -0.003 0.000 0.713 498 E CB -1.502 28.196 29.700 -0.003 0.000 1.226 498 E HN 0.629 nan 8.360 nan 0.000 0.382 499 I N -3.227 117.350 120.570 0.011 0.000 2.783 499 I HA 0.667 4.837 4.170 0.000 0.000 0.312 499 I C 0.555 176.692 176.117 0.033 0.000 0.988 499 I CA -1.042 60.278 61.300 0.033 0.000 1.182 499 I CB 1.243 39.284 38.000 0.068 0.000 1.368 499 I HN -0.021 nan 8.210 nan 0.000 0.511 500 A N 4.229 127.076 122.820 0.045 0.000 2.450 500 A HA 0.548 4.868 4.320 0.000 0.000 0.255 500 A C 0.001 177.616 177.584 0.052 0.000 1.096 500 A CA -0.326 51.735 52.037 0.040 0.000 0.778 500 A CB 0.096 19.120 19.000 0.041 0.000 1.031 500 A HN 0.830 nan 8.150 nan 0.000 0.494 501 R N 1.133 121.655 120.500 0.036 0.000 2.651 501 R HA 0.606 4.946 4.340 0.000 0.000 0.278 501 R C -0.900 175.418 176.300 0.030 0.000 1.010 501 R CA -0.617 55.505 56.100 0.037 0.000 0.896 501 R CB 2.402 32.716 30.300 0.023 0.000 1.211 501 R HN 0.787 nan 8.270 nan 0.000 0.456 502 A N 2.407 125.247 122.820 0.033 0.000 2.260 502 A HA 0.536 4.856 4.320 0.000 0.000 0.308 502 A C -0.319 177.279 177.584 0.023 0.000 1.254 502 A CA -0.541 51.512 52.037 0.026 0.000 0.874 502 A CB 0.866 19.883 19.000 0.029 0.000 1.153 502 A HN 0.371 nan 8.150 nan 0.000 0.527 503 V N 3.193 123.117 119.914 0.017 0.000 2.417 503 V HA 0.280 4.400 4.120 0.000 0.000 0.291 503 V C -0.211 175.891 176.094 0.014 0.000 1.024 503 V CA -0.522 61.787 62.300 0.015 0.000 0.861 503 V CB 1.271 33.101 31.823 0.011 0.000 0.985 503 V HN 1.000 nan 8.190 nan 0.000 0.436 504 D N 4.406 124.815 120.400 0.015 0.000 2.706 504 D HA -0.229 4.411 4.640 0.000 0.000 0.230 504 D C 1.334 177.641 176.300 0.012 0.000 1.184 504 D CA 1.514 55.522 54.000 0.013 0.000 0.628 504 D CB -0.902 39.904 40.800 0.011 0.000 1.019 504 D HN 1.392 nan 8.370 nan 0.000 0.415 505 G N -0.664 108.144 108.800 0.013 0.000 2.199 505 G HA2 -0.366 3.594 3.960 0.000 0.000 0.254 505 G HA3 -0.366 3.594 3.960 0.000 0.000 0.254 505 G C 0.388 175.294 174.900 0.010 0.000 0.982 505 G CA 0.646 45.753 45.100 0.011 0.000 0.632 505 G HN 0.489 nan 8.290 nan 0.000 0.529 506 K N 1.088 121.494 120.400 0.010 0.000 2.218 506 K HA 0.633 4.953 4.320 0.000 0.000 0.276 506 K C 0.933 177.539 176.600 0.010 0.000 1.022 506 K CA -0.010 56.282 56.287 0.008 0.000 0.946 506 K CB 1.182 33.687 32.500 0.007 0.000 1.000 506 K HN 0.583 nan 8.250 nan 0.000 0.468 507 A N 2.139 124.964 122.820 0.008 0.000 2.561 507 A HA 0.239 4.560 4.320 0.000 0.000 0.234 507 A C 0.497 178.089 177.584 0.012 0.000 1.055 507 A CA 0.233 52.276 52.037 0.010 0.000 0.756 507 A CB -0.032 18.972 19.000 0.006 0.000 0.986 507 A HN 0.841 nan 8.150 nan 0.000 0.505 508 A N 0.000 122.831 122.820 0.018 0.000 2.254 508 A HA 0.000 4.320 4.320 0.000 0.000 0.244 508 A CA 0.000 52.050 52.037 0.022 0.000 0.836 508 A CB 0.000 19.021 19.000 0.035 0.000 0.831 508 A HN 0.000 nan 8.150 nan 0.000 0.486