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 1jst_1_C DATA FIRST_RESID 1 DATA SEQUENCE MENFQKVEKI GEGTYGVVYK ARNKLTGEVV ALKKIRLDTE TEGVPSTAIR DATA SEQUENCE EISLLKELNH PNIVKLLDVI HTENKLYLVF EFLHQDLKKF MDASALTGIP DATA SEQUENCE LPLIKSYLFQ LLQGLAFCHS HRVLHRDLKP QNLLINTEGA IKLADFGLAR DATA SEQUENCE AFGVPVRTYX HEVVTLWYRA PEILLGCKYY STAVDIWSLG CIFAEMVTRR DATA SEQUENCE ALFPGDSEID QLFRIFRTLG TPDEVVWPGV TSMPDYKPSF PKWARQDFSK DATA SEQUENCE VVPPLDEDGR SLLSQMLHYD PNKRISAKAA LAHPFFQDVT KPVPHLRL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.362 176.300 0.103 0.000 1.140 1 M CA 0.000 55.390 55.300 0.150 0.000 0.988 1 M CB 0.000 32.546 32.600 -0.090 0.000 1.302 2 E N -0.085 120.127 120.200 0.019 0.000 2.515 2 E HA -0.060 4.290 4.350 0.000 0.000 0.201 2 E C 0.156 176.710 176.600 -0.078 0.000 1.071 2 E CA 0.984 57.373 56.400 -0.019 0.000 0.880 2 E CB -0.432 29.255 29.700 -0.022 0.000 0.828 2 E HN 0.598 nan 8.360 nan 0.000 0.540 3 N N 0.021 118.615 118.700 -0.176 0.000 2.280 3 N HA 0.093 4.833 4.740 0.000 0.000 0.192 3 N C -0.746 174.462 175.510 -0.505 0.000 1.109 3 N CA 0.155 52.986 53.050 -0.366 0.000 0.855 3 N CB 0.157 38.306 38.487 -0.564 0.000 0.974 3 N HN 0.074 nan 8.380 nan 0.000 0.482 4 F N 0.995 120.896 119.950 -0.082 0.000 2.436 4 F HA 0.342 4.869 4.527 0.000 0.000 0.340 4 F C 0.671 176.418 175.800 -0.089 0.000 1.113 4 F CA -0.870 57.080 58.000 -0.083 0.000 1.022 4 F CB 1.382 40.321 39.000 -0.102 0.000 1.128 4 F HN -0.288 nan 8.300 nan 0.000 0.466 5 Q N 4.186 124.042 119.800 0.092 0.000 2.314 5 Q HA 0.214 4.554 4.340 0.000 0.000 0.259 5 Q C -0.864 175.143 176.000 0.011 0.000 0.951 5 Q CA -0.781 55.033 55.803 0.018 0.000 0.909 5 Q CB 1.219 29.950 28.738 -0.012 0.000 1.236 5 Q HN 0.417 nan 8.270 nan 0.000 0.444 6 K N 3.885 124.255 120.400 -0.050 0.000 2.378 6 K HA 0.119 4.439 4.320 0.000 0.000 0.288 6 K C 0.560 177.114 176.600 -0.077 0.000 1.057 6 K CA -0.035 56.187 56.287 -0.109 0.000 0.971 6 K CB 0.823 33.154 32.500 -0.281 0.000 0.975 6 K HN 0.363 nan 8.250 nan 0.000 0.475 7 V N 2.525 122.415 119.914 -0.039 0.000 2.523 7 V HA -0.054 4.067 4.120 0.000 0.000 0.226 7 V C 1.064 177.152 176.094 -0.009 0.000 1.107 7 V CA 1.028 63.309 62.300 -0.031 0.000 1.121 7 V CB -0.084 31.712 31.823 -0.045 0.000 0.753 7 V HN 0.701 nan 8.190 nan 0.000 0.497 8 E N -0.457 119.758 120.200 0.025 0.000 2.568 8 E HA 0.492 4.842 4.350 0.000 0.000 0.242 8 E C -0.711 175.977 176.600 0.146 0.000 0.945 8 E CA -0.779 55.660 56.400 0.063 0.000 0.918 8 E CB 1.497 31.236 29.700 0.065 0.000 1.386 8 E HN 0.236 nan 8.360 nan 0.000 0.426 9 K N 0.612 121.109 120.400 0.162 0.000 2.426 9 K HA 0.526 4.846 4.320 0.000 0.000 0.251 9 K C -0.992 175.684 176.600 0.127 0.000 0.941 9 K CA -0.292 56.130 56.287 0.224 0.000 0.808 9 K CB 1.144 33.776 32.500 0.221 0.000 1.265 9 K HN 0.522 nan 8.250 nan 0.000 0.432 10 I N 0.197 120.815 120.570 0.081 0.000 4.529 10 I HA 0.305 4.475 4.170 0.000 0.000 0.192 10 I C 0.703 176.816 176.117 -0.007 0.000 0.763 10 I CA -1.456 59.873 61.300 0.048 0.000 1.859 10 I CB 0.251 38.294 38.000 0.071 0.000 1.124 10 I HN 0.746 nan 8.210 nan 0.000 0.372 11 G N 3.174 111.954 108.800 -0.033 0.000 2.686 11 G HA2 -0.022 3.938 3.960 0.000 0.000 0.280 11 G HA3 -0.022 3.938 3.960 0.000 0.000 0.280 11 G C 0.075 174.927 174.900 -0.081 0.000 0.666 11 G CA 0.191 45.259 45.100 -0.053 0.000 2.114 11 G HN 0.418 nan 8.290 nan 0.000 0.553 12 E N 1.734 121.893 120.200 -0.067 0.000 2.152 12 E HA 0.521 4.871 4.350 0.000 0.000 0.285 12 E C 0.129 176.711 176.600 -0.029 0.000 1.043 12 E CA -0.282 56.071 56.400 -0.080 0.000 0.839 12 E CB 0.746 30.407 29.700 -0.065 0.000 1.069 12 E HN 0.400 nan 8.360 nan 0.000 0.399 13 G N 2.653 111.449 108.800 -0.007 0.000 2.442 13 G HA2 0.296 4.256 3.960 0.000 0.000 0.296 13 G HA3 0.296 4.256 3.960 0.000 0.000 0.296 13 G C 0.036 175.006 174.900 0.117 0.000 1.564 13 G CA 0.138 45.261 45.100 0.038 0.000 0.828 13 G HN 0.483 nan 8.290 nan 0.000 0.571 14 T N -0.372 114.238 114.554 0.093 0.000 13.579 14 T HA -0.411 3.939 4.350 0.000 0.000 0.419 14 T C 1.497 176.308 174.700 0.185 0.000 1.441 14 T CA 3.536 65.697 62.100 0.102 0.000 2.351 14 T CB -1.660 67.255 68.868 0.078 0.000 2.790 14 T HN 1.912 nan 8.240 nan 0.000 0.520 15 Y N 1.539 121.822 120.300 -0.029 0.000 2.740 15 Y HA 0.665 5.216 4.550 0.000 0.000 0.257 15 Y C 1.492 177.362 175.900 -0.051 0.000 1.064 15 Y CA -0.144 57.936 58.100 -0.032 0.000 1.351 15 Y CB -0.854 37.593 38.460 -0.022 0.000 1.439 15 Y HN 0.655 nan 8.280 nan 0.000 0.488 16 G N 0.943 109.560 108.800 -0.305 0.000 2.720 16 G HA2 0.342 4.302 3.960 0.000 0.000 0.237 16 G HA3 0.342 4.302 3.960 0.000 0.000 0.237 16 G C 0.030 174.797 174.900 -0.221 0.000 1.239 16 G CA 0.589 45.455 45.100 -0.389 0.000 0.847 16 G HN 0.290 nan 8.290 nan 0.000 0.593 17 V N 0.243 119.963 119.914 -0.323 0.000 3.382 17 V HA 0.043 4.163 4.120 0.000 0.000 0.296 17 V C 0.729 176.475 176.094 -0.580 0.000 1.529 17 V CA -0.144 61.923 62.300 -0.389 0.000 1.048 17 V CB 0.119 31.672 31.823 -0.450 0.000 0.878 17 V HN 0.619 nan 8.190 nan 0.000 0.442 18 V N 2.893 122.536 119.914 -0.451 0.000 5.811 18 V HA -0.268 3.853 4.120 0.000 0.000 0.196 18 V C 0.021 175.982 176.094 -0.221 0.000 0.815 18 V CA 1.057 63.172 62.300 -0.309 0.000 0.704 18 V CB -1.989 29.731 31.823 -0.172 0.000 0.691 18 V HN 0.514 nan 8.190 nan 0.000 0.399 19 Y N 2.472 122.790 120.300 0.030 0.000 2.432 19 Y HA 0.611 5.162 4.550 0.000 0.000 0.322 19 Y C 0.439 176.371 175.900 0.054 0.000 1.246 19 Y CA -1.554 56.567 58.100 0.035 0.000 1.268 19 Y CB 1.020 39.491 38.460 0.020 0.000 1.276 19 Y HN 0.545 nan 8.280 nan 0.000 0.499 20 K N 1.303 121.843 120.400 0.233 0.000 2.265 20 K HA 0.825 5.145 4.320 0.000 0.000 0.267 20 K C -1.315 175.316 176.600 0.052 0.000 0.994 20 K CA -0.360 55.996 56.287 0.116 0.000 0.860 20 K CB 0.711 33.221 32.500 0.018 0.000 1.099 20 K HN 0.801 nan 8.250 nan 0.000 0.448 21 A N 3.921 126.770 122.820 0.049 0.000 2.485 21 A HA 0.756 5.076 4.320 0.000 0.000 0.292 21 A C -1.356 176.280 177.584 0.086 0.000 1.147 21 A CA -1.185 50.893 52.037 0.068 0.000 0.750 21 A CB 1.190 20.254 19.000 0.106 0.000 1.331 21 A HN 0.933 nan 8.150 nan 0.000 0.419 22 R N 1.120 121.682 120.500 0.104 0.000 2.628 22 R HA 0.478 4.818 4.340 0.000 0.000 0.288 22 R C -1.054 175.278 176.300 0.054 0.000 0.980 22 R CA -0.777 55.363 56.100 0.067 0.000 0.891 22 R CB 1.279 31.574 30.300 -0.009 0.000 1.188 22 R HN 0.565 nan 8.270 nan 0.000 0.450 23 N N 2.932 121.623 118.700 -0.015 0.000 2.431 23 N HA -0.051 4.689 4.740 0.000 0.000 0.265 23 N C 0.313 175.723 175.510 -0.166 0.000 1.184 23 N CA -0.059 52.844 53.050 -0.246 0.000 0.943 23 N CB 1.362 39.703 38.487 -0.243 0.000 1.080 23 N HN 0.798 nan 8.380 nan 0.000 0.477 24 K N 4.108 124.399 120.400 -0.182 0.000 2.442 24 K HA -0.039 4.281 4.320 0.000 0.000 0.198 24 K C 1.070 177.605 176.600 -0.108 0.000 1.044 24 K CA 1.288 57.504 56.287 -0.119 0.000 0.948 24 K CB 0.103 32.540 32.500 -0.105 0.000 0.762 24 K HN 0.564 nan 8.250 nan 0.000 0.472 25 L N 0.175 121.318 121.223 -0.133 0.000 2.362 25 L HA 0.068 4.408 4.340 0.000 0.000 0.204 25 L C 2.253 179.073 176.870 -0.082 0.000 1.060 25 L CA 1.016 55.795 54.840 -0.102 0.000 0.827 25 L CB -0.188 41.804 42.059 -0.112 0.000 1.027 25 L HN 0.481 nan 8.230 nan 0.000 0.474 26 T N -4.202 110.298 114.554 -0.090 0.000 3.044 26 T HA 0.187 4.537 4.350 0.000 0.000 0.255 26 T C 1.533 176.205 174.700 -0.046 0.000 1.073 26 T CA 0.769 62.833 62.100 -0.061 0.000 1.125 26 T CB 0.646 69.480 68.868 -0.055 0.000 0.908 26 T HN 0.399 nan 8.240 nan 0.000 0.480 27 G N 1.209 109.977 108.800 -0.052 0.000 2.195 27 G HA2 -0.254 3.706 3.960 0.000 0.000 0.246 27 G HA3 -0.254 3.706 3.960 0.000 0.000 0.246 27 G C -0.111 174.776 174.900 -0.023 0.000 0.984 27 G CA 0.196 45.273 45.100 -0.037 0.000 0.633 27 G HN 0.850 nan 8.290 nan 0.000 0.525 28 E N 0.490 120.682 120.200 -0.013 0.000 2.442 28 E HA 0.355 4.705 4.350 0.000 0.000 0.262 28 E C 0.014 176.640 176.600 0.043 0.000 1.004 28 E CA -0.052 56.360 56.400 0.019 0.000 0.928 28 E CB 0.614 30.336 29.700 0.036 0.000 0.937 28 E HN 0.182 nan 8.360 nan 0.000 0.446 29 V N 5.829 125.769 119.914 0.045 0.000 2.398 29 V HA 0.287 4.408 4.120 0.000 0.000 0.286 29 V C 0.306 176.477 176.094 0.128 0.000 1.026 29 V CA -0.505 61.809 62.300 0.024 0.000 0.868 29 V CB 1.131 32.878 31.823 -0.126 0.000 0.982 29 V HN 0.580 nan 8.190 nan 0.000 0.443 30 V N 1.900 121.914 119.914 0.165 0.000 3.229 30 V HA 1.042 5.163 4.120 0.000 0.000 0.310 30 V C -0.024 176.218 176.094 0.248 0.000 1.206 30 V CA -1.004 61.427 62.300 0.219 0.000 1.051 30 V CB 1.983 33.920 31.823 0.189 0.000 1.183 30 V HN 1.022 nan 8.190 nan 0.000 0.466 31 A N 1.513 124.487 122.820 0.256 0.000 2.363 31 A HA 0.750 5.071 4.320 0.000 0.000 0.296 31 A C -0.696 176.993 177.584 0.175 0.000 1.237 31 A CA -0.505 51.682 52.037 0.249 0.000 0.773 31 A CB 0.382 19.516 19.000 0.223 0.000 1.153 31 A HN 0.860 nan 8.150 nan 0.000 0.473 32 L N 2.689 123.977 121.223 0.109 0.000 2.312 32 L HA 0.276 4.616 4.340 0.000 0.000 0.287 32 L C 0.610 177.509 176.870 0.049 0.000 1.091 32 L CA -0.338 54.543 54.840 0.068 0.000 0.846 32 L CB 0.766 42.856 42.059 0.051 0.000 1.219 32 L HN 0.763 nan 8.230 nan 0.000 0.439 33 K N 5.306 125.752 120.400 0.077 0.000 2.219 33 K HA 0.129 4.449 4.320 0.000 0.000 0.280 33 K C 0.053 176.603 176.600 -0.084 0.000 1.104 33 K CA -0.461 55.787 56.287 -0.066 0.000 0.925 33 K CB 0.403 32.877 32.500 -0.044 0.000 1.261 33 K HN 0.334 nan 8.250 nan 0.000 0.445 34 K N 4.836 125.166 120.400 -0.117 0.000 2.350 34 K HA 0.159 4.479 4.320 0.000 0.000 0.279 34 K C -0.825 175.657 176.600 -0.195 0.000 1.027 34 K CA -0.229 55.995 56.287 -0.105 0.000 0.969 34 K CB 0.528 33.018 32.500 -0.017 0.000 0.954 34 K HN 0.606 nan 8.250 nan 0.000 0.474 35 I N 3.423 123.873 120.570 -0.200 0.000 2.545 35 I HA 0.251 4.421 4.170 0.000 0.000 0.292 35 I C -0.615 175.446 176.117 -0.094 0.000 1.040 35 I CA -1.146 60.089 61.300 -0.110 0.000 1.068 35 I CB 1.993 39.965 38.000 -0.048 0.000 1.251 35 I HN 0.537 nan 8.210 nan 0.000 0.424 36 R N 6.728 127.214 120.500 -0.023 0.000 2.215 36 R HA 0.544 4.884 4.340 0.000 0.000 0.336 36 R C -1.332 174.971 176.300 0.005 0.000 0.996 36 R CA -0.302 55.785 56.100 -0.021 0.000 0.847 36 R CB 0.345 30.643 30.300 -0.003 0.000 1.127 36 R HN 0.514 nan 8.270 nan 0.000 0.465 37 L N 3.004 124.223 121.223 -0.007 0.000 2.418 37 L HA 0.353 4.693 4.340 0.000 0.000 0.265 37 L C -0.171 176.706 176.870 0.011 0.000 1.143 37 L CA -0.489 54.357 54.840 0.010 0.000 0.809 37 L CB 0.946 43.012 42.059 0.011 0.000 1.124 37 L HN 0.588 nan 8.230 nan 0.000 0.456 38 D N -0.219 120.190 120.400 0.015 0.000 2.557 38 D HA 0.115 4.755 4.640 0.000 0.000 0.236 38 D C 1.188 177.495 176.300 0.012 0.000 1.154 38 D CA -0.198 53.810 54.000 0.013 0.000 0.985 38 D CB 0.827 41.635 40.800 0.013 0.000 1.010 38 D HN 0.538 nan 8.370 nan 0.000 0.516 39 T N -0.558 114.002 114.554 0.010 0.000 2.760 39 T HA -0.253 4.097 4.350 0.000 0.000 0.269 39 T C 1.225 175.931 174.700 0.009 0.000 1.047 39 T CA 1.171 63.277 62.100 0.010 0.000 1.139 39 T CB -0.018 68.855 68.868 0.009 0.000 0.855 39 T HN 0.421 nan 8.240 nan 0.000 0.471 40 E N 0.901 121.106 120.200 0.009 0.000 2.583 40 E HA 0.151 4.502 4.350 0.000 0.000 0.213 40 E C 1.178 177.783 176.600 0.008 0.000 0.989 40 E CA 0.417 56.822 56.400 0.008 0.000 0.991 40 E CB 0.093 29.798 29.700 0.008 0.000 1.040 40 E HN 0.723 nan 8.360 nan 0.000 0.481 41 T N -1.520 113.039 114.554 0.009 0.000 3.216 41 T HA 0.097 4.447 4.350 0.000 0.000 0.167 41 T C 1.505 176.210 174.700 0.009 0.000 0.905 41 T CA -0.032 62.074 62.100 0.009 0.000 1.042 41 T CB 0.097 68.970 68.868 0.009 0.000 1.787 41 T HN -0.031 nan 8.240 nan 0.000 0.355 42 E N 2.231 122.437 120.200 0.010 0.000 2.385 42 E HA 0.256 4.606 4.350 0.000 0.000 0.194 42 E C 1.213 177.821 176.600 0.014 0.000 1.013 42 E CA 0.896 57.303 56.400 0.011 0.000 0.866 42 E CB -0.373 29.332 29.700 0.010 0.000 0.832 42 E HN 0.846 nan 8.360 nan 0.000 0.500 43 G N 0.587 109.396 108.800 0.015 0.000 2.642 43 G HA2 -0.285 3.675 3.960 0.000 0.000 0.231 43 G HA3 -0.285 3.675 3.960 0.000 0.000 0.231 43 G C -0.266 174.648 174.900 0.025 0.000 1.338 43 G CA -0.198 44.914 45.100 0.019 0.000 0.883 43 G HN 0.140 nan 8.290 nan 0.000 0.570 44 V N 2.721 122.655 119.914 0.033 0.000 2.540 44 V HA 0.304 4.425 4.120 0.000 0.000 0.297 44 V C -1.294 174.822 176.094 0.036 0.000 1.024 44 V CA 0.021 62.346 62.300 0.041 0.000 1.105 44 V CB 0.852 32.709 31.823 0.057 0.000 0.938 44 V HN 0.632 nan 8.190 nan 0.000 0.482 45 P HA 0.133 nan 4.420 nan 0.000 0.268 45 P C 0.772 178.087 177.300 0.025 0.000 1.204 45 P CA 0.120 63.237 63.100 0.028 0.000 0.768 45 P CB 0.641 32.366 31.700 0.041 0.000 0.842 46 S N 1.232 116.937 115.700 0.008 0.000 2.383 46 S HA -0.169 4.301 4.470 0.000 0.000 0.229 46 S C 1.671 176.276 174.600 0.008 0.000 1.030 46 S CA 1.975 60.180 58.200 0.010 0.000 1.002 46 S CB -1.132 62.071 63.200 0.004 0.000 0.829 46 S HN 0.574 nan 8.310 nan 0.000 0.467 47 T N 2.874 117.411 114.554 -0.029 0.000 2.635 47 T HA -0.183 4.168 4.350 0.000 0.000 0.267 47 T C 2.176 176.920 174.700 0.074 0.000 1.040 47 T CA 1.507 63.573 62.100 -0.057 0.000 1.156 47 T CB -0.754 67.935 68.868 -0.297 0.000 0.863 47 T HN 0.535 nan 8.240 nan 0.000 0.430 48 A N 1.005 123.904 122.820 0.131 0.000 1.902 48 A HA 0.009 4.330 4.320 0.000 0.000 0.217 48 A C 2.376 180.012 177.584 0.087 0.000 1.181 48 A CA 1.162 53.298 52.037 0.165 0.000 0.623 48 A CB -0.809 18.276 19.000 0.143 0.000 0.818 48 A HN 0.525 nan 8.150 nan 0.000 0.443 49 I N -0.914 119.692 120.570 0.059 0.000 2.099 49 I HA -0.306 3.864 4.170 0.000 0.000 0.239 49 I C 2.872 179.013 176.117 0.041 0.000 1.066 49 I CA 1.760 63.084 61.300 0.040 0.000 1.324 49 I CB -0.448 37.572 38.000 0.033 0.000 1.037 49 I HN 0.320 nan 8.210 nan 0.000 0.401 50 R N 0.417 120.946 120.500 0.048 0.000 2.073 50 R HA -0.211 4.129 4.340 0.000 0.000 0.234 50 R C 2.276 178.624 176.300 0.080 0.000 1.134 50 R CA 1.694 57.827 56.100 0.055 0.000 0.952 50 R CB -0.422 29.909 30.300 0.053 0.000 0.850 50 R HN 0.425 nan 8.270 nan 0.000 0.433 51 E N 1.149 121.417 120.200 0.114 0.000 2.049 51 E HA -0.231 4.119 4.350 0.000 0.000 0.198 51 E C 1.893 178.544 176.600 0.085 0.000 1.007 51 E CA 1.574 58.071 56.400 0.162 0.000 0.809 51 E CB -0.088 29.754 29.700 0.237 0.000 0.749 51 E HN 0.304 nan 8.360 nan 0.000 0.450 52 I N 1.074 121.673 120.570 0.048 0.000 2.252 52 I HA -0.235 3.935 4.170 0.000 0.000 0.245 52 I C 2.722 178.816 176.117 -0.038 0.000 1.102 52 I CA 1.232 62.518 61.300 -0.023 0.000 1.385 52 I CB -0.375 37.598 38.000 -0.045 0.000 1.064 52 I HN 0.207 nan 8.210 nan 0.000 0.414 53 S N 1.309 117.002 115.700 -0.012 0.000 2.402 53 S HA -0.069 4.401 4.470 0.000 0.000 0.229 53 S C 1.928 176.516 174.600 -0.020 0.000 1.021 53 S CA 0.857 59.048 58.200 -0.015 0.000 0.974 53 S CB -0.707 62.492 63.200 -0.001 0.000 0.800 53 S HN 0.403 nan 8.310 nan 0.000 0.484 54 L N 0.339 121.552 121.223 -0.016 0.000 2.127 54 L HA 0.202 4.543 4.340 0.000 0.000 0.203 54 L C 2.658 179.453 176.870 -0.125 0.000 1.080 54 L CA 0.621 55.444 54.840 -0.028 0.000 0.768 54 L CB -0.558 41.523 42.059 0.036 0.000 0.924 54 L HN 0.241 nan 8.230 nan 0.000 0.444 55 L N 0.838 121.940 121.223 -0.201 0.000 2.046 55 L HA -0.203 4.137 4.340 0.000 0.000 0.208 55 L C 2.406 179.182 176.870 -0.156 0.000 1.077 55 L CA 1.398 56.064 54.840 -0.290 0.000 0.747 55 L CB -0.309 41.629 42.059 -0.202 0.000 0.896 55 L HN 0.369 nan 8.230 nan 0.000 0.432 56 K N -0.249 120.088 120.400 -0.107 0.000 2.546 56 K HA -0.092 4.228 4.320 0.000 0.000 0.198 56 K C 1.019 177.601 176.600 -0.030 0.000 1.028 56 K CA 0.691 56.933 56.287 -0.074 0.000 1.150 56 K CB 0.155 32.609 32.500 -0.077 0.000 0.876 56 K HN 0.316 nan 8.250 nan 0.000 0.508 57 E N 0.896 121.090 120.200 -0.011 0.000 2.715 57 E HA 0.178 4.528 4.350 0.000 0.000 0.224 57 E C -0.837 175.857 176.600 0.157 0.000 0.962 57 E CA -0.118 56.310 56.400 0.046 0.000 1.145 57 E CB 0.612 30.326 29.700 0.024 0.000 1.083 57 E HN 0.286 nan 8.360 nan 0.000 0.506 58 L N 1.853 123.150 121.223 0.124 0.000 2.417 58 L HA 0.424 4.765 4.340 0.000 0.000 0.259 58 L C -0.978 175.943 176.870 0.084 0.000 1.023 58 L CA -0.378 54.632 54.840 0.285 0.000 0.901 58 L CB 1.291 43.418 42.059 0.113 0.000 1.227 58 L HN -0.038 nan 8.230 nan 0.000 0.454 59 N N 1.966 120.731 118.700 0.109 0.000 2.527 59 N HA 0.416 5.156 4.740 0.000 0.000 0.236 59 N C -0.952 174.358 175.510 -0.332 0.000 0.999 59 N CA -0.461 52.546 53.050 -0.072 0.000 0.935 59 N CB 0.721 39.215 38.487 0.012 0.000 1.132 59 N HN 0.487 nan 8.380 nan 0.000 0.511 60 H N 1.122 119.882 119.070 -0.516 0.000 3.046 60 H HA 0.266 4.822 4.556 0.000 0.000 0.361 60 H C -2.211 172.922 175.328 -0.326 0.000 1.235 60 H CA -1.623 54.061 56.048 -0.607 0.000 1.146 60 H CB 2.104 31.194 29.762 -1.120 0.000 1.859 60 H HN 0.222 nan 8.280 nan 0.000 0.548 61 P HA 0.018 nan 4.420 nan 0.000 0.242 61 P C -0.570 176.761 177.300 0.052 0.000 1.197 61 P CA 0.688 63.708 63.100 -0.132 0.000 0.765 61 P CB 0.196 31.750 31.700 -0.243 0.000 0.936 62 N N -0.202 118.690 118.700 0.320 0.000 2.416 62 N HA 0.305 5.045 4.740 0.000 0.000 0.267 62 N C -0.359 175.143 175.510 -0.013 0.000 1.294 62 N CA -0.132 52.963 53.050 0.075 0.000 0.891 62 N CB 0.538 39.022 38.487 -0.004 0.000 1.238 62 N HN 0.101 nan 8.380 nan 0.000 0.508 63 I N 0.445 121.021 120.570 0.011 0.000 2.571 63 I HA 0.197 4.367 4.170 0.000 0.000 0.289 63 I C -0.288 175.848 176.117 0.032 0.000 1.115 63 I CA -1.136 60.186 61.300 0.036 0.000 1.045 63 I CB 2.310 40.285 38.000 -0.041 0.000 1.238 63 I HN -0.174 nan 8.210 nan 0.000 0.424 64 V N 6.863 126.826 119.914 0.081 0.000 2.814 64 V HA 0.010 4.130 4.120 0.000 0.000 0.307 64 V C 0.465 176.630 176.094 0.118 0.000 1.089 64 V CA 0.319 62.669 62.300 0.084 0.000 1.212 64 V CB 0.564 32.437 31.823 0.083 0.000 0.912 64 V HN 0.571 nan 8.190 nan 0.000 0.497 65 K N 5.737 126.199 120.400 0.102 0.000 2.349 65 K HA 0.210 4.530 4.320 0.000 0.000 0.289 65 K C -0.498 176.152 176.600 0.084 0.000 1.064 65 K CA -0.443 55.881 56.287 0.061 0.000 0.947 65 K CB 1.003 33.519 32.500 0.028 0.000 1.007 65 K HN 0.556 nan 8.250 nan 0.000 0.478 66 L N 5.577 126.759 121.223 -0.070 0.000 2.281 66 L HA 0.128 4.468 4.340 0.000 0.000 0.285 66 L C 0.698 177.432 176.870 -0.227 0.000 1.074 66 L CA 0.390 54.996 54.840 -0.389 0.000 0.817 66 L CB 0.459 42.232 42.059 -0.477 0.000 1.168 66 L HN 0.651 nan 8.230 nan 0.000 0.434 67 L N 2.810 123.917 121.223 -0.193 0.000 2.202 67 L HA 0.288 4.628 4.340 0.000 0.000 0.205 67 L C 0.221 177.043 176.870 -0.081 0.000 1.083 67 L CA 0.433 55.223 54.840 -0.084 0.000 0.790 67 L CB -0.060 41.996 42.059 -0.005 0.000 0.942 67 L HN 0.660 nan 8.230 nan 0.000 0.452 68 D N -2.197 118.129 120.400 -0.123 0.000 2.639 68 D HA 0.421 5.061 4.640 0.000 0.000 0.271 68 D C -1.531 174.686 176.300 -0.138 0.000 1.254 68 D CA -0.239 53.711 54.000 -0.083 0.000 0.810 68 D CB 2.613 43.417 40.800 0.007 0.000 1.351 68 D HN -0.338 nan 8.370 nan 0.000 0.427 69 V N 2.020 121.875 119.914 -0.099 0.000 2.524 69 V HA 0.407 4.527 4.120 0.000 0.000 0.297 69 V C -0.477 175.589 176.094 -0.046 0.000 1.035 69 V CA -0.768 61.457 62.300 -0.124 0.000 0.867 69 V CB 1.628 33.336 31.823 -0.192 0.000 1.004 69 V HN 0.438 nan 8.190 nan 0.000 0.426 70 I N 4.332 124.923 120.570 0.036 0.000 2.297 70 I HA 0.308 4.478 4.170 0.000 0.000 0.291 70 I C 0.184 176.405 176.117 0.174 0.000 1.033 70 I CA -0.246 61.147 61.300 0.155 0.000 1.253 70 I CB 0.733 38.888 38.000 0.259 0.000 1.396 70 I HN 0.599 nan 8.210 nan 0.000 0.476 71 H N 5.258 124.385 119.070 0.094 0.000 2.745 71 H HA 0.168 4.724 4.556 0.000 0.000 0.235 71 H C 0.578 175.942 175.328 0.060 0.000 1.815 71 H CA -0.131 55.952 56.048 0.057 0.000 1.321 71 H CB 0.148 29.931 29.762 0.036 0.000 1.716 71 H HN 0.615 nan 8.280 nan 0.000 0.546 72 T N -1.812 112.876 114.554 0.223 0.000 2.874 72 T HA 0.079 4.430 4.350 0.000 0.000 0.281 72 T C 1.528 176.275 174.700 0.078 0.000 0.994 72 T CA -0.620 61.562 62.100 0.137 0.000 1.015 72 T CB 1.722 70.683 68.868 0.155 0.000 1.028 72 T HN 0.580 nan 8.240 nan 0.000 0.523 73 E N 0.918 121.144 120.200 0.044 0.000 2.070 73 E HA -0.235 4.115 4.350 0.000 0.000 0.197 73 E C 1.518 178.129 176.600 0.019 0.000 1.004 73 E CA 1.777 58.188 56.400 0.018 0.000 0.805 73 E CB -0.064 29.646 29.700 0.017 0.000 0.744 73 E HN 0.722 nan 8.360 nan 0.000 0.451 74 N N 0.065 118.777 118.700 0.020 0.000 2.322 74 N HA 0.031 4.771 4.740 0.000 0.000 0.181 74 N C -0.249 175.243 175.510 -0.030 0.000 1.088 74 N CA 0.291 53.344 53.050 0.005 0.000 0.885 74 N CB 0.698 39.192 38.487 0.012 0.000 1.013 74 N HN 0.169 nan 8.380 nan 0.000 0.472 75 K N 0.514 120.877 120.400 -0.060 0.000 2.433 75 K HA 0.475 4.795 4.320 0.000 0.000 0.252 75 K C -1.215 175.236 176.600 -0.249 0.000 1.015 75 K CA -0.761 55.393 56.287 -0.221 0.000 0.860 75 K CB 2.336 34.589 32.500 -0.411 0.000 1.359 75 K HN -0.236 nan 8.250 nan 0.000 0.452 76 L N 2.664 123.645 121.223 -0.404 0.000 2.573 76 L HA 0.365 4.705 4.340 0.000 0.000 0.260 76 L C -2.019 174.668 176.870 -0.306 0.000 0.997 76 L CA -0.422 54.271 54.840 -0.246 0.000 0.890 76 L CB 0.451 42.441 42.059 -0.116 0.000 1.179 76 L HN 0.651 nan 8.230 nan 0.000 0.439 77 Y N 4.315 124.587 120.300 -0.047 0.000 2.341 77 Y HA 0.464 5.014 4.550 0.000 0.000 0.340 77 Y C 0.471 176.299 175.900 -0.119 0.000 0.997 77 Y CA -1.142 56.913 58.100 -0.076 0.000 1.149 77 Y CB 1.127 39.537 38.460 -0.083 0.000 1.171 77 Y HN 0.288 nan 8.280 nan 0.000 0.494 78 L N 4.866 126.106 121.223 0.027 0.000 2.281 78 L HA 0.317 4.657 4.340 0.000 0.000 0.285 78 L C -0.448 176.378 176.870 -0.073 0.000 1.074 78 L CA -0.738 54.044 54.840 -0.097 0.000 0.817 78 L CB 0.886 42.917 42.059 -0.046 0.000 1.168 78 L HN 0.436 nan 8.230 nan 0.000 0.434 79 V N 5.035 124.835 119.914 -0.191 0.000 2.333 79 V HA 0.348 4.469 4.120 0.000 0.000 0.274 79 V C -0.043 175.961 176.094 -0.150 0.000 1.028 79 V CA -0.248 61.973 62.300 -0.131 0.000 0.851 79 V CB 0.831 32.578 31.823 -0.127 0.000 1.000 79 V HN 0.404 nan 8.190 nan 0.000 0.456 80 F N 2.077 122.016 119.950 -0.018 0.000 2.557 80 F HA 0.505 5.032 4.527 0.000 0.000 0.336 80 F C 0.736 176.555 175.800 0.032 0.000 1.058 80 F CA -1.130 56.869 58.000 -0.002 0.000 0.988 80 F CB 1.281 40.273 39.000 -0.013 0.000 1.275 80 F HN 0.570 nan 8.300 nan 0.000 0.488 81 E N 0.739 121.097 120.200 0.263 0.000 2.290 81 E HA 0.167 4.517 4.350 0.000 0.000 0.277 81 E C -1.070 175.619 176.600 0.148 0.000 1.035 81 E CA -0.414 56.086 56.400 0.166 0.000 0.873 81 E CB 0.641 30.397 29.700 0.093 0.000 1.029 81 E HN 0.457 nan 8.360 nan 0.000 0.419 82 F N 4.851 124.833 119.950 0.053 0.000 2.471 82 F HA 0.255 4.782 4.527 0.000 0.000 0.365 82 F C -1.062 174.730 175.800 -0.013 0.000 1.095 82 F CA -0.385 57.630 58.000 0.026 0.000 1.174 82 F CB 0.296 39.314 39.000 0.030 0.000 1.105 82 F HN 0.439 nan 8.300 nan 0.000 0.535 83 L N 7.035 127.732 121.223 -0.876 0.000 2.331 83 L HA 0.282 4.623 4.340 0.000 0.000 0.275 83 L C 1.420 177.727 176.870 -0.938 0.000 1.022 83 L CA -0.778 53.683 54.840 -0.633 0.000 0.812 83 L CB 1.529 43.378 42.059 -0.349 0.000 1.257 83 L HN 0.733 nan 8.230 nan 0.000 0.435 84 H N 1.123 119.912 119.070 -0.469 0.000 2.289 84 H HA -0.191 4.365 4.556 0.000 0.000 0.294 84 H C 0.183 175.406 175.328 -0.176 0.000 1.095 84 H CA 1.821 57.744 56.048 -0.209 0.000 1.256 84 H CB 0.331 30.097 29.762 0.006 0.000 1.359 84 H HN 0.605 nan 8.280 nan 0.000 0.487 85 Q N 0.395 120.165 119.800 -0.050 0.000 2.633 85 Q HA 0.121 4.462 4.340 0.000 0.000 0.289 85 Q C -1.720 174.239 176.000 -0.068 0.000 0.940 85 Q CA -0.985 54.793 55.803 -0.041 0.000 0.785 85 Q CB 1.724 30.484 28.738 0.036 0.000 1.467 85 Q HN 0.205 nan 8.270 nan 0.000 0.401 86 D N 1.088 121.459 120.400 -0.049 0.000 2.377 86 D HA 0.052 4.692 4.640 0.000 0.000 0.245 86 D C 0.602 176.901 176.300 -0.002 0.000 1.196 86 D CA -0.593 53.371 54.000 -0.059 0.000 0.962 86 D CB 1.324 42.090 40.800 -0.056 0.000 1.127 86 D HN 0.613 nan 8.370 nan 0.000 0.471 87 L N -0.181 121.029 121.223 -0.021 0.000 2.217 87 L HA -0.130 4.210 4.340 0.000 0.000 0.211 87 L C 2.519 179.461 176.870 0.119 0.000 1.107 87 L CA 0.987 55.865 54.840 0.064 0.000 0.783 87 L CB -0.201 41.857 42.059 -0.001 0.000 0.919 87 L HN 0.496 nan 8.230 nan 0.000 0.442 88 K N 0.106 120.539 120.400 0.056 0.000 2.097 88 K HA -0.198 4.123 4.320 0.000 0.000 0.206 88 K C 2.029 178.670 176.600 0.068 0.000 1.049 88 K CA 1.323 57.645 56.287 0.058 0.000 0.933 88 K CB 0.171 32.686 32.500 0.025 0.000 0.717 88 K HN 0.252 nan 8.250 nan 0.000 0.442 89 K N -0.554 119.892 120.400 0.077 0.000 2.076 89 K HA -0.086 4.234 4.320 0.000 0.000 0.204 89 K C 1.933 178.600 176.600 0.111 0.000 1.051 89 K CA 1.027 57.360 56.287 0.077 0.000 0.949 89 K CB -0.200 32.342 32.500 0.069 0.000 0.726 89 K HN 0.084 nan 8.250 nan 0.000 0.443 90 F N 1.930 121.897 119.950 0.029 0.000 2.161 90 F HA -0.163 4.364 4.527 0.001 0.000 0.300 90 F C 2.101 177.943 175.800 0.070 0.000 1.089 90 F CA 1.411 59.445 58.000 0.058 0.000 1.282 90 F CB -0.111 38.938 39.000 0.083 0.000 1.010 90 F HN -0.073 nan 8.300 nan 0.000 0.485 91 M N -0.062 119.538 119.600 0.001 0.000 2.086 91 M HA -0.228 4.252 4.480 0.000 0.000 0.261 91 M C 1.848 178.089 176.300 -0.098 0.000 1.067 91 M CA 1.942 57.200 55.300 -0.070 0.000 1.116 91 M CB -0.478 32.156 32.600 0.056 0.000 1.348 91 M HN 0.004 nan 8.290 nan 0.000 0.407 92 D N 0.220 120.596 120.400 -0.039 0.000 2.149 92 D HA -0.114 4.526 4.640 0.000 0.000 0.198 92 D C 1.873 178.133 176.300 -0.067 0.000 0.990 92 D CA 1.567 55.547 54.000 -0.032 0.000 0.839 92 D CB -0.164 40.636 40.800 -0.001 0.000 0.948 92 D HN 0.380 nan 8.370 nan 0.000 0.460 93 A N 0.313 123.074 122.820 -0.099 0.000 1.933 93 A HA -0.110 4.210 4.320 0.000 0.000 0.218 93 A C 2.299 179.781 177.584 -0.170 0.000 1.175 93 A CA 1.433 53.404 52.037 -0.109 0.000 0.628 93 A CB -0.330 18.613 19.000 -0.097 0.000 0.814 93 A HN 0.139 nan 8.150 nan 0.000 0.444 94 S N -0.080 115.447 115.700 -0.290 0.000 2.607 94 S HA 0.363 4.834 4.470 0.000 0.000 0.224 94 S C 0.979 175.490 174.600 -0.148 0.000 0.969 94 S CA 0.250 58.282 58.200 -0.280 0.000 0.927 94 S CB -0.491 62.448 63.200 -0.435 0.000 0.772 94 S HN 0.738 nan 8.310 nan 0.000 0.533 95 A N 0.982 123.737 122.820 -0.109 0.000 2.511 95 A HA 0.516 4.836 4.320 0.000 0.000 0.242 95 A C 1.029 178.575 177.584 -0.064 0.000 1.069 95 A CA 0.155 52.151 52.037 -0.069 0.000 0.763 95 A CB -0.269 18.702 19.000 -0.049 0.000 1.001 95 A HN 0.524 nan 8.150 nan 0.000 0.498 96 L N 0.177 121.368 121.223 -0.054 0.000 2.462 96 L HA -0.249 4.091 4.340 0.000 0.000 0.463 96 L C 1.405 178.246 176.870 -0.049 0.000 0.716 96 L CA 1.398 56.210 54.840 -0.047 0.000 2.997 96 L CB -1.889 40.144 42.059 -0.044 0.000 0.811 96 L HN 0.760 nan 8.230 nan 0.000 0.710 97 T N -1.573 112.946 114.554 -0.058 0.000 3.115 97 T HA 0.520 4.870 4.350 0.000 0.000 0.256 97 T C 0.699 175.372 174.700 -0.046 0.000 0.970 97 T CA 0.778 62.848 62.100 -0.050 0.000 1.010 97 T CB 1.555 70.391 68.868 -0.053 0.000 1.151 97 T HN 0.988 nan 8.240 nan 0.000 0.479 98 G N 1.678 110.440 108.800 -0.064 0.000 2.692 98 G HA2 -0.085 3.875 3.960 0.000 0.000 0.686 98 G HA3 -0.085 3.875 3.960 0.000 0.000 0.686 98 G C -0.708 174.173 174.900 -0.031 0.000 1.243 98 G CA -1.005 44.065 45.100 -0.049 0.000 0.782 98 G HN 0.488 nan 8.290 nan 0.000 0.625 99 I N 2.727 123.300 120.570 0.005 0.000 2.436 99 I HA 0.168 4.339 4.170 0.000 0.000 0.289 99 I C -1.586 174.588 176.117 0.095 0.000 1.083 99 I CA -1.477 59.883 61.300 0.100 0.000 1.372 99 I CB 0.985 39.129 38.000 0.241 0.000 1.408 99 I HN 0.195 nan 8.210 nan 0.000 0.516 100 P HA -0.091 nan 4.420 nan 0.000 0.262 100 P C 0.687 178.028 177.300 0.068 0.000 1.182 100 P CA -0.036 63.099 63.100 0.059 0.000 0.761 100 P CB 0.603 32.332 31.700 0.048 0.000 0.795 101 L N 8.322 129.592 121.223 0.078 0.000 2.051 101 L HA -0.161 4.180 4.340 0.000 0.000 0.214 101 L C -0.776 176.152 176.870 0.098 0.000 1.076 101 L CA 2.478 57.393 54.840 0.124 0.000 0.758 101 L CB -1.683 40.454 42.059 0.130 0.000 0.890 101 L HN 0.438 nan 8.230 nan 0.000 0.433 102 P HA -0.203 nan 4.420 nan 0.000 0.218 102 P C 1.898 179.168 177.300 -0.050 0.000 1.148 102 P CA 1.331 64.422 63.100 -0.015 0.000 0.822 102 P CB -0.084 31.603 31.700 -0.022 0.000 0.784 103 L N -0.522 120.659 121.223 -0.069 0.000 2.131 103 L HA 0.008 4.348 4.340 0.000 0.000 0.206 103 L C 2.528 179.257 176.870 -0.236 0.000 1.087 103 L CA 1.250 55.952 54.840 -0.231 0.000 0.767 103 L CB -1.147 40.771 42.059 -0.235 0.000 0.917 103 L HN -0.213 nan 8.230 nan 0.000 0.441 104 I N -0.353 120.221 120.570 0.006 0.000 2.099 104 I HA -0.357 3.813 4.170 0.000 0.000 0.239 104 I C 2.544 178.806 176.117 0.241 0.000 1.066 104 I CA 1.689 63.100 61.300 0.184 0.000 1.324 104 I CB -0.591 37.593 38.000 0.307 0.000 1.037 104 I HN 0.289 nan 8.210 nan 0.000 0.401 105 K N 0.762 121.309 120.400 0.245 0.000 2.059 105 K HA -0.280 4.040 4.320 0.000 0.000 0.212 105 K C 2.381 179.122 176.600 0.235 0.000 1.050 105 K CA 2.228 58.642 56.287 0.212 0.000 0.927 105 K CB -0.184 32.198 32.500 -0.196 0.000 0.714 105 K HN 0.244 nan 8.250 nan 0.000 0.447 106 S N -0.370 115.385 115.700 0.091 0.000 2.351 106 S HA -0.196 4.274 4.470 0.000 0.000 0.220 106 S C 1.999 176.758 174.600 0.266 0.000 1.035 106 S CA 1.288 59.552 58.200 0.107 0.000 1.031 106 S CB -0.488 62.681 63.200 -0.051 0.000 0.928 106 S HN 0.381 nan 8.310 nan 0.000 0.433 107 Y N 1.336 121.701 120.300 0.108 0.000 2.081 107 Y HA -0.067 4.483 4.550 0.000 0.000 0.280 107 Y C 2.462 178.402 175.900 0.067 0.000 1.163 107 Y CA 1.030 59.170 58.100 0.067 0.000 1.135 107 Y CB -1.410 37.089 38.460 0.065 0.000 0.970 107 Y HN 0.371 nan 8.280 nan 0.000 0.498 108 L N -0.938 120.459 121.223 0.291 0.000 2.191 108 L HA -0.181 4.159 4.340 0.000 0.000 0.212 108 L C 2.139 179.104 176.870 0.160 0.000 1.103 108 L CA 1.348 56.291 54.840 0.172 0.000 0.769 108 L CB -0.955 41.124 42.059 0.033 0.000 0.908 108 L HN 0.087 nan 8.230 nan 0.000 0.438 109 F N 0.354 120.275 119.950 -0.049 0.000 2.113 109 F HA -0.179 4.348 4.527 0.000 0.000 0.297 109 F C 2.426 178.072 175.800 -0.256 0.000 1.103 109 F CA 1.883 59.606 58.000 -0.460 0.000 1.248 109 F CB -0.447 38.282 39.000 -0.452 0.000 0.999 109 F HN 0.228 nan 8.300 nan 0.000 0.475 110 Q N -0.013 119.740 119.800 -0.078 0.000 2.167 110 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 110 Q C 2.277 178.177 176.000 -0.167 0.000 0.970 110 Q CA 1.746 57.463 55.803 -0.145 0.000 0.855 110 Q CB -0.269 28.471 28.738 0.004 0.000 0.911 110 Q HN 0.447 nan 8.270 nan 0.000 0.438 111 L N 0.040 121.194 121.223 -0.115 0.000 2.056 111 L HA -0.175 4.165 4.340 0.000 0.000 0.207 111 L C 2.240 179.011 176.870 -0.164 0.000 1.078 111 L CA 0.842 55.605 54.840 -0.130 0.000 0.749 111 L CB -0.380 41.627 42.059 -0.087 0.000 0.901 111 L HN 0.197 nan 8.230 nan 0.000 0.433 112 L N -0.645 120.482 121.223 -0.159 0.000 2.079 112 L HA -0.250 4.090 4.340 0.000 0.000 0.210 112 L C 2.755 179.499 176.870 -0.210 0.000 1.081 112 L CA 1.374 56.124 54.840 -0.149 0.000 0.752 112 L CB -0.405 41.591 42.059 -0.104 0.000 0.896 112 L HN 0.332 nan 8.230 nan 0.000 0.433 113 Q N -0.813 118.799 119.800 -0.313 0.000 2.079 113 Q HA -0.136 4.204 4.340 0.000 0.000 0.200 113 Q C 2.301 178.087 176.000 -0.356 0.000 0.974 113 Q CA 1.415 57.041 55.803 -0.295 0.000 0.840 113 Q CB -0.379 28.163 28.738 -0.327 0.000 0.898 113 Q HN 0.611 nan 8.270 nan 0.000 0.430 114 G N 0.784 109.327 108.800 -0.429 0.000 2.403 114 G HA2 -0.216 3.744 3.960 0.000 0.000 0.216 114 G HA3 -0.216 3.744 3.960 0.000 0.000 0.216 114 G C 1.357 176.097 174.900 -0.267 0.000 1.154 114 G CA 0.344 45.106 45.100 -0.563 0.000 0.784 114 G HN 0.202 nan 8.290 nan 0.000 0.538 115 L N 1.363 122.451 121.223 -0.224 0.000 2.093 115 L HA 0.232 4.572 4.340 0.000 0.000 0.208 115 L C 3.031 179.721 176.870 -0.301 0.000 1.085 115 L CA 1.897 56.578 54.840 -0.266 0.000 0.755 115 L CB -0.674 41.212 42.059 -0.289 0.000 0.904 115 L HN 0.221 nan 8.230 nan 0.000 0.435 116 A N -1.088 121.630 122.820 -0.171 0.000 1.940 116 A HA -0.279 4.041 4.320 0.000 0.000 0.219 116 A C 2.278 179.857 177.584 -0.008 0.000 1.176 116 A CA 1.878 53.887 52.037 -0.046 0.000 0.631 116 A CB -1.142 17.848 19.000 -0.016 0.000 0.814 116 A HN 0.533 nan 8.150 nan 0.000 0.446 117 F N 0.158 119.967 119.950 -0.236 0.000 2.146 117 F HA -0.214 4.313 4.527 0.000 0.000 0.298 117 F C 2.470 178.042 175.800 -0.379 0.000 1.096 117 F CA 1.695 59.494 58.000 -0.335 0.000 1.275 117 F CB -0.435 38.319 39.000 -0.409 0.000 1.008 117 F HN 0.308 nan 8.300 nan 0.000 0.480 118 C N -0.011 119.294 119.300 0.009 0.000 2.436 118 C HA -0.198 4.262 4.460 0.000 0.000 0.277 118 C C 2.707 177.833 174.990 0.228 0.000 1.241 118 C CA 1.208 60.301 59.018 0.125 0.000 1.721 118 C CB -1.525 26.360 27.740 0.241 0.000 2.043 118 C HN 0.504 nan 8.230 nan 0.000 0.472 119 H N 1.382 120.551 119.070 0.165 0.000 2.387 119 H HA -0.083 4.473 4.556 0.000 0.000 0.299 119 H C 2.515 177.960 175.328 0.195 0.000 1.090 119 H CA 2.007 58.230 56.048 0.291 0.000 1.332 119 H CB -0.820 29.081 29.762 0.231 0.000 1.386 119 H HN 0.611 nan 8.280 nan 0.000 0.516 120 S N 0.110 115.919 115.700 0.181 0.000 2.515 120 S HA -0.096 4.374 4.470 0.000 0.000 0.231 120 S C 0.768 175.470 174.600 0.170 0.000 0.987 120 S CA 0.621 58.894 58.200 0.121 0.000 0.936 120 S CB -0.183 63.055 63.200 0.064 0.000 0.766 120 S HN 0.401 nan 8.310 nan 0.000 0.528 121 H N 1.890 120.844 119.070 -0.194 0.000 2.472 121 H HA 0.382 4.938 4.556 0.000 0.000 0.287 121 H C 0.270 175.450 175.328 -0.248 0.000 1.112 121 H CA -0.352 55.546 56.048 -0.250 0.000 1.021 121 H CB -0.251 29.325 29.762 -0.311 0.000 1.635 121 H HN 0.520 nan 8.280 nan 0.000 0.559 122 R N -1.221 119.089 120.500 -0.317 0.000 3.225 122 R HA -0.137 4.203 4.340 0.000 0.000 0.245 122 R C -1.452 174.596 176.300 -0.419 0.000 0.928 122 R CA 0.387 55.860 56.100 -1.044 0.000 0.632 122 R CB -3.154 26.568 30.300 -0.964 0.000 1.038 122 R HN 0.075 nan 8.270 nan 0.000 0.461 123 V N 1.468 121.525 119.914 0.239 0.000 2.577 123 V HA 0.462 4.582 4.120 0.000 0.000 0.303 123 V C 0.194 176.668 176.094 0.634 0.000 1.042 123 V CA -0.860 61.693 62.300 0.422 0.000 0.872 123 V CB 1.934 33.947 31.823 0.317 0.000 0.998 123 V HN 0.347 nan 8.190 nan 0.000 0.423 124 L N 4.126 125.641 121.223 0.487 0.000 2.295 124 L HA 0.497 4.837 4.340 0.000 0.000 0.285 124 L C 1.295 178.334 176.870 0.282 0.000 1.035 124 L CA -0.629 54.422 54.840 0.352 0.000 0.806 124 L CB 1.297 43.473 42.059 0.196 0.000 1.214 124 L HN 0.738 nan 8.230 nan 0.000 0.426 125 H N 4.470 123.614 119.070 0.124 0.000 2.343 125 H HA 0.025 4.582 4.556 0.000 0.000 0.303 125 H C 0.798 176.080 175.328 -0.077 0.000 1.068 125 H CA 1.351 57.331 56.048 -0.114 0.000 1.359 125 H CB 0.525 30.124 29.762 -0.271 0.000 1.402 125 H HN 0.591 nan 8.280 nan 0.000 0.515 126 R N -0.230 120.408 120.500 0.230 0.000 4.000 126 R HA -0.182 4.159 4.340 0.000 0.000 0.362 126 R C -0.574 175.801 176.300 0.125 0.000 1.183 126 R CA 1.076 57.267 56.100 0.151 0.000 1.011 126 R CB -1.484 28.904 30.300 0.147 0.000 1.501 126 R HN 0.307 nan 8.270 nan 0.000 0.553 127 D N 0.157 120.682 120.400 0.208 0.000 3.118 127 D HA 0.202 4.842 4.640 0.000 0.000 0.352 127 D C -0.582 175.665 176.300 -0.089 0.000 1.498 127 D CA -0.183 53.866 54.000 0.082 0.000 0.759 127 D CB 0.327 41.180 40.800 0.089 0.000 1.251 127 D HN 0.091 nan 8.370 nan 0.000 0.504 128 L N 2.104 123.179 121.223 -0.246 0.000 2.433 128 L HA 0.262 4.603 4.340 0.000 0.000 0.275 128 L C 0.337 176.953 176.870 -0.423 0.000 1.128 128 L CA 0.485 55.071 54.840 -0.425 0.000 0.875 128 L CB 0.181 42.016 42.059 -0.374 0.000 1.171 128 L HN 0.066 nan 8.230 nan 0.000 0.463 129 K N 2.333 122.454 120.400 -0.465 0.000 2.587 129 K HA 0.394 4.714 4.320 0.000 0.000 0.276 129 K C -2.801 173.578 176.600 -0.368 0.000 0.956 129 K CA -1.595 54.281 56.287 -0.684 0.000 0.857 129 K CB 1.349 33.433 32.500 -0.693 0.000 1.431 129 K HN -0.118 nan 8.250 nan 0.000 0.420 130 P HA -0.370 nan 4.420 nan 0.000 0.219 130 P C 1.128 178.371 177.300 -0.096 0.000 1.158 130 P CA 2.096 65.129 63.100 -0.112 0.000 0.895 130 P CB 0.058 31.754 31.700 -0.008 0.000 0.792 131 Q N -1.629 118.116 119.800 -0.093 0.000 2.226 131 Q HA -0.129 4.212 4.340 0.000 0.000 0.204 131 Q C 0.915 176.862 176.000 -0.087 0.000 0.975 131 Q CA 1.305 57.065 55.803 -0.071 0.000 0.866 131 Q CB -0.828 27.877 28.738 -0.056 0.000 0.915 131 Q HN 0.252 nan 8.270 nan 0.000 0.440 132 N N 0.452 119.085 118.700 -0.111 0.000 2.268 132 N HA 0.265 5.006 4.740 0.000 0.000 0.204 132 N C -0.713 174.730 175.510 -0.111 0.000 1.124 132 N CA 0.241 53.234 53.050 -0.093 0.000 0.838 132 N CB 0.529 38.977 38.487 -0.065 0.000 0.994 132 N HN 0.240 nan 8.380 nan 0.000 0.489 133 L N 0.869 122.011 121.223 -0.134 0.000 2.362 133 L HA 0.530 4.870 4.340 0.000 0.000 0.275 133 L C -0.501 176.275 176.870 -0.157 0.000 0.998 133 L CA -0.629 54.120 54.840 -0.152 0.000 0.820 133 L CB 2.092 44.045 42.059 -0.177 0.000 1.270 133 L HN -0.251 nan 8.230 nan 0.000 0.415 134 L N 4.171 125.288 121.223 -0.176 0.000 2.333 134 L HA 0.685 5.025 4.340 0.000 0.000 0.269 134 L C -0.357 176.365 176.870 -0.247 0.000 1.010 134 L CA -0.702 54.021 54.840 -0.194 0.000 0.818 134 L CB 2.339 44.280 42.059 -0.196 0.000 1.306 134 L HN 0.545 nan 8.230 nan 0.000 0.430 135 I N -1.060 119.365 120.570 -0.242 0.000 3.042 135 I HA 0.688 4.859 4.170 0.000 0.000 0.310 135 I C -1.171 174.850 176.117 -0.160 0.000 1.117 135 I CA -0.701 60.433 61.300 -0.276 0.000 1.003 135 I CB 2.292 40.055 38.000 -0.394 0.000 1.228 135 I HN 0.635 nan 8.210 nan 0.000 0.443 136 N N 0.090 118.722 118.700 -0.113 0.000 2.701 136 N HA 0.312 5.053 4.740 0.000 0.000 0.290 136 N C 0.342 175.858 175.510 0.011 0.000 1.338 136 N CA -0.234 52.784 53.050 -0.054 0.000 0.799 136 N CB 0.796 39.234 38.487 -0.082 0.000 1.491 136 N HN 0.752 nan 8.380 nan 0.000 0.540 137 T N -2.420 112.165 114.554 0.052 0.000 3.155 137 T HA 0.000 4.351 4.350 0.000 0.000 0.264 137 T C 0.392 175.113 174.700 0.035 0.000 1.160 137 T CA 0.873 63.025 62.100 0.087 0.000 1.075 137 T CB -0.224 68.714 68.868 0.116 0.000 0.921 137 T HN 0.580 nan 8.240 nan 0.000 0.533 138 E N 0.598 120.808 120.200 0.017 0.000 2.473 138 E HA 0.308 4.658 4.350 0.000 0.000 0.204 138 E C 1.532 178.148 176.600 0.026 0.000 0.994 138 E CA 0.539 56.948 56.400 0.016 0.000 0.945 138 E CB 0.559 30.262 29.700 0.005 0.000 0.990 138 E HN 0.614 nan 8.360 nan 0.000 0.493 139 G N 1.152 109.982 108.800 0.050 0.000 2.164 139 G HA2 -0.091 3.869 3.960 0.000 0.000 0.154 139 G HA3 -0.091 3.869 3.960 0.000 0.000 0.154 139 G C 0.216 175.244 174.900 0.214 0.000 1.014 139 G CA -0.119 45.044 45.100 0.105 0.000 0.683 139 G HN 0.465 nan 8.290 nan 0.000 0.500 140 A N -0.037 122.847 122.820 0.107 0.000 2.312 140 A HA 0.897 5.218 4.320 0.000 0.000 0.328 140 A C -0.308 177.211 177.584 -0.108 0.000 1.158 140 A CA -0.483 51.580 52.037 0.044 0.000 0.821 140 A CB 1.331 20.325 19.000 -0.010 0.000 1.170 140 A HN 1.287 nan 8.150 nan 0.000 0.490 141 I N 0.866 121.314 120.570 -0.203 0.000 2.582 141 I HA 0.574 4.744 4.170 0.000 0.000 0.292 141 I C -0.952 175.040 176.117 -0.209 0.000 1.066 141 I CA -0.634 60.427 61.300 -0.399 0.000 1.053 141 I CB 1.827 39.349 38.000 -0.797 0.000 1.241 141 I HN 0.704 nan 8.210 nan 0.000 0.421 142 K N 6.968 127.261 120.400 -0.179 0.000 2.375 142 K HA 0.554 4.875 4.320 0.000 0.000 0.249 142 K C -1.249 175.309 176.600 -0.070 0.000 0.942 142 K CA -0.726 55.503 56.287 -0.096 0.000 0.806 142 K CB 2.356 34.819 32.500 -0.062 0.000 1.227 142 K HN 0.513 nan 8.250 nan 0.000 0.430 143 L N 2.468 123.688 121.223 -0.004 0.000 2.453 143 L HA 0.337 4.677 4.340 0.000 0.000 0.272 143 L C 0.234 177.229 176.870 0.207 0.000 1.182 143 L CA 0.026 54.905 54.840 0.064 0.000 0.858 143 L CB 0.662 42.820 42.059 0.164 0.000 1.120 143 L HN 0.791 nan 8.230 nan 0.000 0.474 144 A N 2.248 125.164 122.820 0.159 0.000 2.483 144 A HA 0.548 4.868 4.320 0.000 0.000 0.286 144 A C -0.608 177.063 177.584 0.146 0.000 1.207 144 A CA -0.438 51.692 52.037 0.154 0.000 0.764 144 A CB 1.178 20.153 19.000 -0.042 0.000 1.341 144 A HN 0.717 nan 8.150 nan 0.000 0.428 145 D N -1.664 118.781 120.400 0.076 0.000 3.763 145 D HA -0.151 4.489 4.640 0.000 0.000 0.232 145 D C -0.726 175.487 176.300 -0.146 0.000 1.108 145 D CA 0.701 54.719 54.000 0.031 0.000 1.117 145 D CB -1.088 39.719 40.800 0.012 0.000 0.846 145 D HN 0.418 nan 8.370 nan 0.000 0.405 146 F N 0.491 120.373 119.950 -0.113 0.000 2.639 146 F HA 0.343 4.870 4.527 0.000 0.000 0.300 146 F C 2.292 178.046 175.800 -0.076 0.000 1.109 146 F CA 0.263 58.136 58.000 -0.212 0.000 1.335 146 F CB 0.503 39.435 39.000 -0.113 0.000 1.014 146 F HN 0.390 nan 8.300 nan 0.000 0.537 147 G N -0.142 108.726 108.800 0.112 0.000 2.479 147 G HA2 -0.182 3.778 3.960 0.000 0.000 0.220 147 G HA3 -0.182 3.778 3.960 0.000 0.000 0.220 147 G C 1.484 176.376 174.900 -0.013 0.000 1.115 147 G CA 0.569 45.719 45.100 0.083 0.000 0.757 147 G HN 0.253 nan 8.290 nan 0.000 0.560 148 L N 0.258 121.453 121.223 -0.047 0.000 2.693 148 L HA 0.485 4.826 4.340 0.000 0.000 0.235 148 L C 1.585 178.451 176.870 -0.006 0.000 1.127 148 L CA -0.008 54.817 54.840 -0.026 0.000 0.914 148 L CB -0.542 41.510 42.059 -0.011 0.000 1.193 148 L HN 0.214 nan 8.230 nan 0.000 0.502 149 A N 1.156 123.954 122.820 -0.038 0.000 2.366 149 A HA 0.476 4.796 4.320 0.000 0.000 0.249 149 A C 0.296 177.936 177.584 0.093 0.000 1.084 149 A CA -0.152 51.908 52.037 0.038 0.000 0.794 149 A CB 0.354 19.435 19.000 0.135 0.000 1.034 149 A HN 0.424 nan 8.150 nan 0.000 0.491 150 R N 0.257 120.824 120.500 0.111 0.000 2.584 150 R HA 0.614 4.955 4.340 0.000 0.000 0.276 150 R C -0.872 175.477 176.300 0.081 0.000 1.046 150 R CA 0.208 56.335 56.100 0.044 0.000 0.906 150 R CB 1.102 31.368 30.300 -0.056 0.000 1.215 150 R HN 1.095 nan 8.270 nan 0.000 0.449 151 A N 4.522 127.362 122.820 0.033 0.000 2.404 151 A HA 0.475 4.795 4.320 0.000 0.000 0.273 151 A C -0.381 177.202 177.584 -0.002 0.000 1.144 151 A CA -0.505 51.550 52.037 0.030 0.000 0.806 151 A CB -0.505 18.482 19.000 -0.021 0.000 1.080 151 A HN 0.612 nan 8.150 nan 0.000 0.509 152 F N 1.763 121.651 119.950 -0.103 0.000 2.380 152 F HA 0.815 5.342 4.527 0.000 0.000 0.321 152 F C 0.511 176.316 175.800 0.009 0.000 1.103 152 F CA -1.099 56.839 58.000 -0.103 0.000 1.067 152 F CB 0.826 39.817 39.000 -0.016 0.000 1.265 152 F HN 0.577 nan 8.300 nan 0.000 0.517 153 G N 0.382 109.348 108.800 0.277 0.000 2.482 153 G HA2 0.572 4.532 3.960 0.000 0.000 0.317 153 G HA3 0.572 4.532 3.960 0.000 0.000 0.317 153 G C -1.940 173.064 174.900 0.172 0.000 1.241 153 G CA -0.995 44.179 45.100 0.123 0.000 0.967 153 G HN 0.689 nan 8.290 nan 0.000 0.482 154 V N 3.687 123.645 119.914 0.073 0.000 2.370 154 V HA 0.411 4.531 4.120 0.000 0.000 0.279 154 V C -1.012 175.093 176.094 0.017 0.000 1.029 154 V CA -0.966 61.375 62.300 0.069 0.000 0.870 154 V CB 1.045 32.897 31.823 0.047 0.000 0.984 154 V HN 0.815 nan 8.190 nan 0.000 0.451 155 P HA 0.378 nan 4.420 nan 0.000 0.276 155 P C -0.408 176.864 177.300 -0.047 0.000 1.261 155 P CA -0.374 62.710 63.100 -0.027 0.000 0.800 155 P CB 1.116 32.762 31.700 -0.089 0.000 1.066 156 V N 1.132 120.998 119.914 -0.079 0.000 2.811 156 V HA 0.074 4.194 4.120 0.000 0.000 0.302 156 V C 1.536 177.312 176.094 -0.530 0.000 1.063 156 V CA 0.056 62.268 62.300 -0.147 0.000 1.088 156 V CB 0.552 32.304 31.823 -0.118 0.000 0.982 156 V HN 0.623 nan 8.190 nan 0.000 0.485 157 R N 2.222 122.356 120.500 -0.610 0.000 2.523 157 R HA 0.413 4.753 4.340 0.000 0.000 0.216 157 R C -0.409 175.528 176.300 -0.604 0.000 1.279 157 R CA -0.443 55.318 56.100 -0.565 0.000 1.015 157 R CB 0.641 30.834 30.300 -0.178 0.000 1.756 157 R HN 0.723 nan 8.270 nan 0.000 0.528 158 T N 1.319 115.758 114.554 -0.191 0.000 2.781 158 T HA 0.342 4.692 4.350 0.000 0.000 0.305 158 T C -0.886 173.726 174.700 -0.146 0.000 1.001 158 T CA -0.464 61.617 62.100 -0.032 0.000 0.950 158 T CB 0.136 69.060 68.868 0.094 0.000 0.955 158 T HN 0.225 nan 8.240 nan 0.000 0.471 162 E N 1.001 121.148 120.200 -0.089 0.000 0.811 162 E HA -0.001 4.349 4.350 0.000 0.000 0.333 162 E C 0.623 177.078 176.600 -0.242 0.000 0.968 162 E CA 1.450 57.721 56.400 -0.215 0.000 1.232 162 E CB -0.744 28.821 29.700 -0.225 0.000 0.560 162 E HN 0.643 nan 8.360 nan 0.000 0.342 163 V N -0.677 119.139 119.914 -0.162 0.000 3.485 163 V HA 0.779 4.900 4.120 0.000 0.000 0.293 163 V C 0.652 176.687 176.094 -0.098 0.000 1.253 163 V CA -0.811 61.434 62.300 -0.091 0.000 0.991 163 V CB 1.374 33.197 31.823 0.001 0.000 1.252 163 V HN 0.532 nan 8.190 nan 0.000 0.473 164 V N -1.843 118.047 119.914 -0.041 0.000 3.598 164 V HA -0.163 3.958 4.120 0.000 0.000 0.514 164 V C 0.228 176.341 176.094 0.032 0.000 0.682 164 V CA 0.667 62.970 62.300 0.004 0.000 2.068 164 V CB -1.616 30.206 31.823 -0.000 0.000 2.488 164 V HN 1.276 nan 8.190 nan 0.000 0.512 165 T N 5.615 120.226 114.554 0.096 0.000 2.834 165 T HA 0.295 4.645 4.350 0.000 0.000 0.298 165 T C 1.029 175.830 174.700 0.169 0.000 0.966 165 T CA 0.302 62.472 62.100 0.117 0.000 1.141 165 T CB 0.995 69.972 68.868 0.181 0.000 0.905 165 T HN 0.859 nan 8.240 nan 0.000 0.535 166 L N 3.829 125.098 121.223 0.077 0.000 2.064 166 L HA -0.226 4.114 4.340 0.000 0.000 0.234 166 L C 1.874 178.880 176.870 0.226 0.000 1.103 166 L CA 2.274 57.181 54.840 0.112 0.000 0.824 166 L CB -0.825 41.294 42.059 0.100 0.000 0.919 166 L HN 0.792 nan 8.230 nan 0.000 0.447 167 W N -1.240 120.003 121.300 -0.095 0.000 2.341 167 W HA -0.208 4.452 4.660 0.000 0.000 0.283 167 W C 2.134 178.401 176.519 -0.421 0.000 1.215 167 W CA 1.270 58.419 57.345 -0.327 0.000 1.211 167 W CB -1.079 28.002 29.460 -0.633 0.000 1.131 167 W HN 0.366 nan 8.180 nan 0.000 0.552 168 Y N -1.317 119.207 120.300 0.374 0.000 2.584 168 Y HA 0.283 4.833 4.550 0.000 0.000 0.254 168 Y C 1.136 177.257 175.900 0.368 0.000 1.177 168 Y CA -0.799 57.516 58.100 0.357 0.000 1.216 168 Y CB -0.429 38.169 38.460 0.229 0.000 1.172 168 Y HN -0.346 nan 8.280 nan 0.000 0.529 169 R N 1.923 122.609 120.500 0.310 0.000 2.389 169 R HA 0.545 4.885 4.340 0.000 0.000 0.295 169 R C 0.098 176.286 176.300 -0.186 0.000 1.075 169 R CA -0.138 56.006 56.100 0.073 0.000 1.005 169 R CB 0.425 30.717 30.300 -0.013 0.000 0.987 169 R HN 0.238 nan 8.270 nan 0.000 0.452 170 A N 6.428 128.935 122.820 -0.521 0.000 2.351 170 A HA 0.283 4.603 4.320 0.000 0.000 0.257 170 A C -1.532 175.575 177.584 -0.796 0.000 1.087 170 A CA -1.468 49.761 52.037 -1.346 0.000 0.798 170 A CB 0.280 18.807 19.000 -0.789 0.000 1.033 170 A HN 0.751 nan 8.150 nan 0.000 0.488 171 P HA -0.249 nan 4.420 nan 0.000 0.216 171 P C 0.685 178.047 177.300 0.104 0.000 1.154 171 P CA 1.928 64.908 63.100 -0.200 0.000 0.865 171 P CB 0.096 31.853 31.700 0.095 0.000 0.789 172 E N 0.021 120.317 120.200 0.158 0.000 2.097 172 E HA -0.168 4.182 4.350 0.000 0.000 0.196 172 E C 2.293 178.940 176.600 0.078 0.000 1.000 172 E CA 1.194 57.749 56.400 0.258 0.000 0.804 172 E CB -0.823 29.008 29.700 0.218 0.000 0.740 172 E HN 0.260 nan 8.360 nan 0.000 0.454 173 I N 0.824 121.358 120.570 -0.060 0.000 2.090 173 I HA -0.270 3.900 4.170 0.000 0.000 0.236 173 I C 2.459 178.538 176.117 -0.064 0.000 1.064 173 I CA 1.339 62.574 61.300 -0.108 0.000 1.324 173 I CB -1.246 36.620 38.000 -0.222 0.000 1.044 173 I HN 0.141 nan 8.210 nan 0.000 0.399 174 L N 0.495 121.663 121.223 -0.092 0.000 2.034 174 L HA -0.247 4.093 4.340 0.000 0.000 0.217 174 L C 2.455 179.316 176.870 -0.015 0.000 1.077 174 L CA 1.549 56.339 54.840 -0.083 0.000 0.769 174 L CB -0.651 41.323 42.059 -0.141 0.000 0.890 174 L HN 0.261 nan 8.230 nan 0.000 0.435 175 L N 0.083 121.336 121.223 0.051 0.000 2.650 175 L HA 0.056 4.397 4.340 0.000 0.000 0.235 175 L C 1.178 178.079 176.870 0.051 0.000 1.149 175 L CA 0.278 55.176 54.840 0.096 0.000 0.887 175 L CB -0.815 41.326 42.059 0.136 0.000 1.021 175 L HN 0.530 nan 8.230 nan 0.000 0.441 176 G N 0.905 109.725 108.800 0.033 0.000 2.338 176 G HA2 -0.321 3.639 3.960 0.000 0.000 0.296 176 G HA3 -0.321 3.639 3.960 0.000 0.000 0.296 176 G C 0.455 175.361 174.900 0.011 0.000 1.040 176 G CA 0.202 45.318 45.100 0.026 0.000 1.004 176 G HN 0.551 nan 8.290 nan 0.000 0.509 177 C N -1.316 118.002 119.300 0.029 0.000 2.656 177 C HA 0.618 5.078 4.460 0.000 0.000 0.391 177 C C 2.020 176.977 174.990 -0.056 0.000 1.300 177 C CA -0.014 59.005 59.018 0.002 0.000 2.302 177 C CB 1.160 28.954 27.740 0.089 0.000 2.655 177 C HN 0.604 nan 8.230 nan 0.000 0.656 178 K N 0.378 120.648 120.400 -0.217 0.000 2.057 178 K HA -0.025 4.295 4.320 0.000 0.000 0.207 178 K C -0.233 176.028 176.600 -0.566 0.000 1.049 178 K CA 1.499 57.486 56.287 -0.500 0.000 0.931 178 K CB -0.019 31.957 32.500 -0.874 0.000 0.714 178 K HN 0.818 nan 8.250 nan 0.000 0.440 179 Y N -1.493 118.805 120.300 -0.003 0.000 2.605 179 Y HA 0.342 4.892 4.550 0.000 0.000 0.343 179 Y C -0.684 175.249 175.900 0.055 0.000 1.036 179 Y CA -1.610 56.425 58.100 -0.107 0.000 1.065 179 Y CB 1.192 39.534 38.460 -0.197 0.000 1.288 179 Y HN -0.021 nan 8.280 nan 0.000 0.481 180 Y N -1.352 119.008 120.300 0.101 0.000 2.588 180 Y HA 0.883 5.434 4.550 0.000 0.000 0.343 180 Y C -0.512 175.414 175.900 0.043 0.000 1.065 180 Y CA -1.216 56.932 58.100 0.080 0.000 1.038 180 Y CB 1.654 40.162 38.460 0.081 0.000 1.297 180 Y HN 0.624 nan 8.280 nan 0.000 0.467 181 S N -1.059 114.752 115.700 0.185 0.000 2.998 181 S HA 0.300 4.770 4.470 0.000 0.000 0.323 181 S C 0.892 175.389 174.600 -0.170 0.000 1.141 181 S CA -0.150 57.988 58.200 -0.103 0.000 0.873 181 S CB 0.627 63.744 63.200 -0.139 0.000 1.315 181 S HN 1.219 nan 8.310 nan 0.000 0.637 182 T N -1.290 112.969 114.554 -0.493 0.000 2.918 182 T HA -0.100 4.250 4.350 0.000 0.000 0.271 182 T C 1.792 176.414 174.700 -0.130 0.000 1.104 182 T CA 1.557 63.249 62.100 -0.680 0.000 1.114 182 T CB -1.085 67.077 68.868 -1.177 0.000 0.855 182 T HN 0.988 nan 8.240 nan 0.000 0.518 183 A N 1.391 124.189 122.820 -0.037 0.000 2.066 183 A HA 0.183 4.504 4.320 0.000 0.000 0.218 183 A C 2.649 180.315 177.584 0.135 0.000 1.157 183 A CA 1.329 53.412 52.037 0.077 0.000 0.670 183 A CB -0.871 18.159 19.000 0.051 0.000 0.804 183 A HN 0.919 nan 8.150 nan 0.000 0.453 184 V N -2.199 117.778 119.914 0.105 0.000 2.626 184 V HA -0.157 3.963 4.120 0.000 0.000 0.252 184 V C 1.478 177.674 176.094 0.169 0.000 1.067 184 V CA 2.404 64.757 62.300 0.088 0.000 1.081 184 V CB -0.636 31.165 31.823 -0.037 0.000 0.686 184 V HN 0.364 nan 8.190 nan 0.000 0.468 185 D N 0.229 120.745 120.400 0.195 0.000 2.249 185 D HA 0.067 4.707 4.640 0.000 0.000 0.205 185 D C 2.128 178.543 176.300 0.191 0.000 0.962 185 D CA 0.880 54.995 54.000 0.190 0.000 0.860 185 D CB 0.043 40.998 40.800 0.258 0.000 0.955 185 D HN 0.399 nan 8.370 nan 0.000 0.505 186 I N 0.460 121.172 120.570 0.236 0.000 2.315 186 I HA -0.193 3.978 4.170 0.000 0.000 0.248 186 I C 2.229 178.478 176.117 0.221 0.000 1.117 186 I CA 0.704 62.127 61.300 0.205 0.000 1.404 186 I CB -0.688 37.433 38.000 0.202 0.000 1.071 186 I HN 0.260 nan 8.210 nan 0.000 0.419 187 W N 1.963 123.313 121.300 0.084 0.000 2.352 187 W HA -0.240 4.420 4.660 0.000 0.000 0.322 187 W C 2.604 179.204 176.519 0.136 0.000 1.208 187 W CA 1.921 59.322 57.345 0.095 0.000 1.286 187 W CB -0.464 29.035 29.460 0.065 0.000 1.167 187 W HN 0.081 nan 8.180 nan 0.000 0.469 188 S N 1.509 117.465 115.700 0.428 0.000 2.378 188 S HA -0.286 4.185 4.470 0.000 0.000 0.229 188 S C 1.709 176.404 174.600 0.158 0.000 1.052 188 S CA 1.959 60.355 58.200 0.326 0.000 1.084 188 S CB -1.085 62.235 63.200 0.200 0.000 0.950 188 S HN 0.209 nan 8.310 nan 0.000 0.440 189 L N 1.773 123.047 121.223 0.085 0.000 2.046 189 L HA -0.002 4.338 4.340 0.000 0.000 0.208 189 L C 2.453 179.373 176.870 0.083 0.000 1.077 189 L CA 1.881 56.748 54.840 0.045 0.000 0.747 189 L CB -1.533 40.541 42.059 0.025 0.000 0.896 189 L HN 0.369 nan 8.230 nan 0.000 0.432 190 G N -1.621 107.207 108.800 0.047 0.000 2.446 190 G HA2 -0.287 3.673 3.960 0.000 0.000 0.217 190 G HA3 -0.287 3.673 3.960 0.000 0.000 0.217 190 G C 1.686 176.568 174.900 -0.030 0.000 1.168 190 G CA 1.042 46.151 45.100 0.016 0.000 0.771 190 G HN 0.503 nan 8.290 nan 0.000 0.551 191 C N 0.413 119.657 119.300 -0.094 0.000 2.413 191 C HA 0.015 4.475 4.460 0.000 0.000 0.277 191 C C 2.853 177.900 174.990 0.095 0.000 1.265 191 C CA 0.519 59.508 59.018 -0.048 0.000 1.752 191 C CB -0.997 26.829 27.740 0.145 0.000 1.998 191 C HN 0.478 nan 8.230 nan 0.000 0.489 192 I N -0.129 120.547 120.570 0.177 0.000 2.315 192 I HA -0.171 3.999 4.170 0.000 0.000 0.248 192 I C 2.446 178.679 176.117 0.194 0.000 1.117 192 I CA 1.313 62.718 61.300 0.175 0.000 1.404 192 I CB -0.567 37.479 38.000 0.077 0.000 1.071 192 I HN 0.234 nan 8.210 nan 0.000 0.419 193 F N 2.335 122.281 119.950 -0.006 0.000 2.069 193 F HA -0.241 4.287 4.527 0.000 0.000 0.298 193 F C 2.492 178.249 175.800 -0.071 0.000 1.113 193 F CA 1.365 59.354 58.000 -0.018 0.000 1.214 193 F CB -0.907 38.064 39.000 -0.050 0.000 0.978 193 F HN 0.029 nan 8.300 nan 0.000 0.474 194 A N 0.119 122.791 122.820 -0.246 0.000 1.883 194 A HA -0.282 4.038 4.320 0.000 0.000 0.217 194 A C 2.224 179.663 177.584 -0.242 0.000 1.186 194 A CA 1.893 53.682 52.037 -0.414 0.000 0.624 194 A CB -1.240 17.486 19.000 -0.456 0.000 0.822 194 A HN 0.572 nan 8.150 nan 0.000 0.444 195 E N -0.595 119.532 120.200 -0.123 0.000 2.130 195 E HA -0.235 4.115 4.350 0.000 0.000 0.196 195 E C 1.978 178.578 176.600 -0.000 0.000 0.998 195 E CA 1.756 58.128 56.400 -0.046 0.000 0.806 195 E CB -0.237 29.508 29.700 0.076 0.000 0.738 195 E HN 0.661 nan 8.360 nan 0.000 0.459 196 M N -0.229 119.406 119.600 0.057 0.000 2.200 196 M HA -0.106 4.374 4.480 0.000 0.000 0.265 196 M C 2.161 178.486 176.300 0.042 0.000 1.066 196 M CA 0.869 56.235 55.300 0.111 0.000 1.127 196 M CB 0.201 32.946 32.600 0.241 0.000 1.379 196 M HN 0.117 nan 8.290 nan 0.000 0.420 197 V N -0.303 119.581 119.914 -0.050 0.000 2.331 197 V HA -0.150 3.970 4.120 0.000 0.000 0.242 197 V C 2.379 178.395 176.094 -0.129 0.000 1.034 197 V CA 2.143 64.377 62.300 -0.110 0.000 1.027 197 V CB -1.263 30.402 31.823 -0.263 0.000 0.667 197 V HN 0.554 nan 8.190 nan 0.000 0.457 198 T N -0.896 113.552 114.554 -0.176 0.000 3.148 198 T HA -0.034 4.316 4.350 0.000 0.000 0.253 198 T C 1.107 175.731 174.700 -0.126 0.000 1.134 198 T CA 0.278 62.275 62.100 -0.172 0.000 1.051 198 T CB -0.403 68.323 68.868 -0.236 0.000 0.959 198 T HN 0.634 nan 8.240 nan 0.000 0.525 199 R N 0.081 120.528 120.500 -0.089 0.000 3.610 199 R HA -0.221 4.119 4.340 0.000 0.000 0.274 199 R C -0.229 176.032 176.300 -0.065 0.000 1.123 199 R CA 0.985 57.050 56.100 -0.059 0.000 0.747 199 R CB -2.509 27.758 30.300 -0.054 0.000 1.149 199 R HN 0.533 nan 8.270 nan 0.000 0.471 200 R N 0.123 120.566 120.500 -0.095 0.000 2.634 200 R HA 0.546 4.886 4.340 0.000 0.000 0.263 200 R C -1.293 174.904 176.300 -0.173 0.000 1.060 200 R CA 0.045 56.074 56.100 -0.117 0.000 0.898 200 R CB 1.300 31.509 30.300 -0.152 0.000 1.253 200 R HN 0.344 nan 8.270 nan 0.000 0.461 201 A N 4.123 126.828 122.820 -0.191 0.000 2.546 201 A HA 0.121 4.442 4.320 0.000 0.000 0.243 201 A C 1.100 178.400 177.584 -0.474 0.000 1.063 201 A CA -0.003 51.848 52.037 -0.310 0.000 0.757 201 A CB -0.080 18.586 19.000 -0.557 0.000 0.991 201 A HN 0.839 nan 8.150 nan 0.000 0.503 202 L N 1.291 122.184 121.223 -0.550 0.000 2.093 202 L HA -0.010 4.331 4.340 0.000 0.000 0.208 202 L C -0.145 176.068 176.870 -1.095 0.000 1.085 202 L CA 1.303 55.601 54.840 -0.902 0.000 0.755 202 L CB -0.115 41.224 42.059 -1.199 0.000 0.904 202 L HN 0.778 nan 8.230 nan 0.000 0.435 203 F N -1.153 118.554 119.950 -0.405 0.000 2.708 203 F HA 0.323 4.850 4.527 0.000 0.000 0.344 203 F C -2.251 173.150 175.800 -0.665 0.000 1.447 203 F CA -2.171 55.590 58.000 -0.399 0.000 1.140 203 F CB 0.084 38.957 39.000 -0.211 0.000 1.657 203 F HN -0.181 nan 8.300 nan 0.000 0.598 204 P HA 0.077 nan 4.420 nan 0.000 0.237 204 P C 0.954 177.878 177.300 -0.628 0.000 1.701 204 P CA 0.244 62.426 63.100 -1.530 0.000 0.955 204 P CB 0.017 31.012 31.700 -1.175 0.000 1.937 205 G N 0.870 109.478 108.800 -0.320 0.000 2.559 205 G HA2 -0.024 3.937 3.960 0.000 0.000 0.235 205 G HA3 -0.024 3.937 3.960 0.000 0.000 0.235 205 G C 0.332 175.335 174.900 0.170 0.000 1.266 205 G CA -0.278 44.807 45.100 -0.025 0.000 0.847 205 G HN 0.245 nan 8.290 nan 0.000 0.583 206 D N -0.683 119.775 120.400 0.096 0.000 2.440 206 D HA 0.194 4.834 4.640 0.000 0.000 0.216 206 D C 0.632 176.969 176.300 0.063 0.000 1.150 206 D CA 0.571 54.642 54.000 0.119 0.000 0.832 206 D CB 0.467 41.315 40.800 0.080 0.000 0.992 206 D HN 0.516 nan 8.370 nan 0.000 0.502 207 S N -1.283 114.438 115.700 0.035 0.000 2.688 207 S HA 0.106 4.577 4.470 0.000 0.000 0.269 207 S C 0.461 175.026 174.600 -0.059 0.000 1.060 207 S CA -0.767 57.427 58.200 -0.010 0.000 0.844 207 S CB 1.551 64.738 63.200 -0.022 0.000 1.095 207 S HN -0.133 nan 8.310 nan 0.000 0.466 208 E N -0.264 119.886 120.200 -0.084 0.000 2.110 208 E HA -0.097 4.253 4.350 0.000 0.000 0.193 208 E C 1.507 177.958 176.600 -0.249 0.000 0.988 208 E CA 1.403 57.723 56.400 -0.134 0.000 0.804 208 E CB -0.197 29.439 29.700 -0.106 0.000 0.745 208 E HN 0.502 nan 8.360 nan 0.000 0.458 209 I N 1.361 121.764 120.570 -0.279 0.000 2.584 209 I HA -0.148 4.022 4.170 0.000 0.000 0.255 209 I C 1.772 177.523 176.117 -0.610 0.000 1.145 209 I CA 1.138 62.111 61.300 -0.545 0.000 1.462 209 I CB -0.080 37.667 38.000 -0.422 0.000 1.102 209 I HN -0.066 nan 8.210 nan 0.000 0.433 210 D N -0.262 119.985 120.400 -0.253 0.000 2.097 210 D HA -0.265 4.375 4.640 0.000 0.000 0.197 210 D C 2.121 178.316 176.300 -0.175 0.000 0.984 210 D CA 1.353 55.287 54.000 -0.111 0.000 0.826 210 D CB -0.093 40.685 40.800 -0.036 0.000 0.973 210 D HN 0.267 nan 8.370 nan 0.000 0.460 211 Q N 0.186 119.870 119.800 -0.192 0.000 2.061 211 Q HA -0.106 4.234 4.340 0.000 0.000 0.204 211 Q C 2.360 178.148 176.000 -0.353 0.000 0.984 211 Q CA 1.326 57.011 55.803 -0.195 0.000 0.846 211 Q CB -0.713 27.950 28.738 -0.127 0.000 0.902 211 Q HN 0.420 nan 8.270 nan 0.000 0.421 212 L N -0.741 120.172 121.223 -0.516 0.000 1.989 212 L HA -0.203 4.137 4.340 0.000 0.000 0.211 212 L C 2.103 178.432 176.870 -0.901 0.000 1.071 212 L CA 1.399 55.739 54.840 -0.834 0.000 0.749 212 L CB -0.435 41.015 42.059 -1.015 0.000 0.890 212 L HN 0.295 nan 8.230 nan 0.000 0.431 213 F N -0.026 119.566 119.950 -0.597 0.000 2.234 213 F HA -0.141 4.386 4.527 0.000 0.000 0.299 213 F C 2.662 178.130 175.800 -0.552 0.000 1.087 213 F CA 0.933 58.623 58.000 -0.516 0.000 1.340 213 F CB -0.845 37.984 39.000 -0.285 0.000 1.031 213 F HN 0.018 nan 8.300 nan 0.000 0.500 214 R N -0.068 120.308 120.500 -0.207 0.000 2.090 214 R HA -0.048 4.292 4.340 0.000 0.000 0.228 214 R C 2.275 178.487 176.300 -0.147 0.000 1.110 214 R CA 1.020 57.033 56.100 -0.146 0.000 0.973 214 R CB -0.365 29.906 30.300 -0.049 0.000 0.869 214 R HN 0.251 nan 8.270 nan 0.000 0.440 215 I N 0.074 120.394 120.570 -0.418 0.000 2.142 215 I HA -0.283 3.887 4.170 0.000 0.000 0.240 215 I C 1.754 177.899 176.117 0.047 0.000 1.078 215 I CA 1.240 62.172 61.300 -0.613 0.000 1.343 215 I CB -0.284 37.396 38.000 -0.533 0.000 1.046 215 I HN 0.046 nan 8.210 nan 0.000 0.405 216 F N 1.104 121.081 119.950 0.046 0.000 2.095 216 F HA -0.225 4.302 4.527 0.000 0.000 0.298 216 F C 2.711 178.538 175.800 0.046 0.000 1.104 216 F CA 1.346 59.474 58.000 0.213 0.000 1.232 216 F CB -1.328 37.907 39.000 0.393 0.000 0.987 216 F HN -0.020 nan 8.300 nan 0.000 0.475 217 R N -0.248 120.133 120.500 -0.199 0.000 2.105 217 R HA -0.143 4.197 4.340 0.000 0.000 0.239 217 R C 2.052 178.326 176.300 -0.044 0.000 1.135 217 R CA 2.095 57.928 56.100 -0.445 0.000 0.967 217 R CB -0.424 29.483 30.300 -0.655 0.000 0.861 217 R HN 0.283 nan 8.270 nan 0.000 0.442 218 T N -0.108 114.502 114.554 0.093 0.000 2.781 218 T HA 0.029 4.380 4.350 0.000 0.000 0.252 218 T C 1.534 176.374 174.700 0.234 0.000 1.039 218 T CA 0.874 63.079 62.100 0.175 0.000 1.147 218 T CB -0.017 69.069 68.868 0.363 0.000 0.865 218 T HN 0.127 nan 8.240 nan 0.000 0.423 219 L N 0.766 122.175 121.223 0.309 0.000 2.558 219 L HA 0.366 4.707 4.340 0.000 0.000 0.225 219 L C 1.232 178.348 176.870 0.410 0.000 1.128 219 L CA -0.135 54.902 54.840 0.330 0.000 0.868 219 L CB -0.863 41.321 42.059 0.209 0.000 1.006 219 L HN 0.487 nan 8.230 nan 0.000 0.454 220 G N 0.044 109.082 108.800 0.397 0.000 2.721 220 G HA2 -0.193 3.767 3.960 0.000 0.000 0.686 220 G HA3 -0.193 3.767 3.960 0.000 0.000 0.686 220 G C -0.276 174.818 174.900 0.323 0.000 1.236 220 G CA -0.825 44.482 45.100 0.345 0.000 0.786 220 G HN -0.069 nan 8.290 nan 0.000 0.616 221 T N 4.819 119.472 114.554 0.165 0.000 2.817 221 T HA 0.461 4.812 4.350 0.000 0.000 0.295 221 T C -1.320 173.206 174.700 -0.289 0.000 0.958 221 T CA 0.226 62.180 62.100 -0.242 0.000 1.157 221 T CB 1.012 69.768 68.868 -0.186 0.000 0.898 221 T HN 0.619 nan 8.240 nan 0.000 0.536 222 P HA 0.253 nan 4.420 nan 0.000 0.275 222 P C -0.941 176.219 177.300 -0.233 0.000 1.227 222 P CA -0.485 62.346 63.100 -0.448 0.000 0.781 222 P CB 0.816 32.035 31.700 -0.801 0.000 0.906 223 D N 0.475 120.805 120.400 -0.118 0.000 2.525 223 D HA 0.173 4.813 4.640 0.000 0.000 0.249 223 D C 0.824 177.071 176.300 -0.089 0.000 1.072 223 D CA -0.784 53.150 54.000 -0.110 0.000 1.067 223 D CB 0.266 41.033 40.800 -0.056 0.000 1.282 223 D HN 0.204 nan 8.370 nan 0.000 0.587 224 E N -0.743 119.391 120.200 -0.109 0.000 2.338 224 E HA -0.074 4.276 4.350 0.000 0.000 0.197 224 E C 1.346 177.948 176.600 0.004 0.000 1.007 224 E CA 0.733 57.083 56.400 -0.083 0.000 0.849 224 E CB -0.149 29.491 29.700 -0.099 0.000 0.774 224 E HN 0.359 nan 8.360 nan 0.000 0.506 225 V N -0.709 119.215 119.914 0.017 0.000 2.407 225 V HA -0.116 4.005 4.120 0.000 0.000 0.245 225 V C 2.119 178.273 176.094 0.100 0.000 1.041 225 V CA 1.356 63.685 62.300 0.049 0.000 1.040 225 V CB -0.015 31.828 31.823 0.033 0.000 0.671 225 V HN 0.247 nan 8.190 nan 0.000 0.455 226 V N -1.679 118.307 119.914 0.119 0.000 2.878 226 V HA 0.042 4.162 4.120 0.000 0.000 0.250 226 V C 0.361 176.657 176.094 0.337 0.000 1.075 226 V CA 0.842 63.251 62.300 0.182 0.000 1.096 226 V CB 0.530 32.446 31.823 0.154 0.000 0.724 226 V HN 0.731 nan 8.190 nan 0.000 0.467 227 W N 2.186 123.517 121.300 0.052 0.000 2.330 227 W HA 0.469 5.129 4.660 0.000 0.000 0.286 227 W C -3.165 173.356 176.519 0.004 0.000 1.019 227 W CA -3.290 54.103 57.345 0.080 0.000 1.485 227 W CB 0.639 30.142 29.460 0.072 0.000 1.457 227 W HN 0.107 nan 8.180 nan 0.000 0.359 228 P HA 0.212 nan 4.420 nan 0.000 0.254 228 P C 0.865 178.164 177.300 -0.002 0.000 1.186 228 P CA 2.174 65.326 63.100 0.087 0.000 0.868 228 P CB 0.279 32.045 31.700 0.111 0.000 0.856 229 G N 1.460 110.152 108.800 -0.181 0.000 2.296 229 G HA2 -0.248 3.712 3.960 0.000 0.000 0.188 229 G HA3 -0.248 3.712 3.960 0.000 0.000 0.188 229 G C 0.905 175.477 174.900 -0.546 0.000 1.000 229 G CA 0.061 44.989 45.100 -0.285 0.000 0.672 229 G HN 0.303 nan 8.290 nan 0.000 0.483 230 V N 1.921 121.358 119.914 -0.795 0.000 2.252 230 V HA -0.222 3.898 4.120 0.000 0.000 0.249 230 V C 3.223 178.714 176.094 -1.006 0.000 1.056 230 V CA 3.422 65.100 62.300 -1.036 0.000 1.022 230 V CB -1.845 29.430 31.823 -0.914 0.000 0.641 230 V HN 0.907 nan 8.190 nan 0.000 0.445 231 T N -1.149 112.802 114.554 -1.005 0.000 2.869 231 T HA -0.177 4.173 4.350 0.000 0.000 0.270 231 T C 1.504 175.929 174.700 -0.459 0.000 1.082 231 T CA 1.769 63.284 62.100 -0.974 0.000 1.123 231 T CB -0.554 68.004 68.868 -0.516 0.000 0.856 231 T HN 0.534 nan 8.240 nan 0.000 0.499 232 S N 0.684 116.162 115.700 -0.369 0.000 2.577 232 S HA 0.415 4.885 4.470 0.000 0.000 0.219 232 S C 0.479 174.980 174.600 -0.166 0.000 0.962 232 S CA -0.375 57.699 58.200 -0.210 0.000 0.921 232 S CB -0.253 62.841 63.200 -0.177 0.000 0.789 232 S HN 0.498 nan 8.310 nan 0.000 0.497 233 M N 1.751 121.242 119.600 -0.183 0.000 2.249 233 M HA 0.264 4.744 4.480 0.000 0.000 0.351 233 M C -1.859 174.418 176.300 -0.038 0.000 1.180 233 M CA -2.306 52.925 55.300 -0.114 0.000 1.127 233 M CB 0.597 33.108 32.600 -0.148 0.000 1.546 233 M HN -0.171 nan 8.290 nan 0.000 0.461 234 P HA -0.212 nan 4.420 nan 0.000 0.218 234 P C 0.104 177.400 177.300 -0.007 0.000 1.150 234 P CA 1.459 64.545 63.100 -0.024 0.000 0.841 234 P CB 0.155 31.840 31.700 -0.025 0.000 0.784 235 D N -4.048 116.365 120.400 0.021 0.000 2.431 235 D HA 0.046 4.687 4.640 0.000 0.000 0.213 235 D C 0.072 176.399 176.300 0.045 0.000 1.130 235 D CA -0.226 53.797 54.000 0.038 0.000 0.834 235 D CB -0.230 40.604 40.800 0.058 0.000 0.985 235 D HN 0.218 nan 8.370 nan 0.000 0.504 236 Y N 2.020 122.247 120.300 -0.122 0.000 2.335 236 Y HA 0.205 4.755 4.550 0.000 0.000 0.331 236 Y C 0.035 175.569 175.900 -0.611 0.000 1.094 236 Y CA -0.081 57.823 58.100 -0.327 0.000 1.253 236 Y CB 0.568 38.879 38.460 -0.250 0.000 1.203 236 Y HN -0.434 nan 8.280 nan 0.000 0.508 237 K N 8.375 127.539 120.400 -2.061 0.000 2.244 237 K HA 0.265 4.585 4.320 0.000 0.000 0.260 237 K C -2.092 173.761 176.600 -1.246 0.000 0.951 237 K CA -2.219 53.299 56.287 -1.283 0.000 0.826 237 K CB 1.793 33.786 32.500 -0.844 0.000 1.108 237 K HN 0.436 nan 8.250 nan 0.000 0.433 238 P HA -0.109 nan 4.420 nan 0.000 0.230 238 P C 0.597 177.785 177.300 -0.187 0.000 1.158 238 P CA 0.853 63.826 63.100 -0.213 0.000 0.769 238 P CB 0.308 31.956 31.700 -0.087 0.000 0.807 239 S N -1.553 114.024 115.700 -0.205 0.000 2.743 239 S HA 0.119 4.589 4.470 0.000 0.000 0.230 239 S C 0.359 175.029 174.600 0.116 0.000 0.950 239 S CA -0.688 57.483 58.200 -0.050 0.000 0.976 239 S CB -1.051 62.143 63.200 -0.010 0.000 0.779 239 S HN -0.212 nan 8.310 nan 0.000 0.487 240 F N 3.001 122.851 119.950 -0.166 0.000 2.412 240 F HA 0.466 4.994 4.527 0.000 0.000 0.348 240 F C -2.391 173.217 175.800 -0.319 0.000 1.102 240 F CA -3.196 54.736 58.000 -0.114 0.000 1.196 240 F CB 0.265 39.212 39.000 -0.089 0.000 1.144 240 F HN 0.058 nan 8.300 nan 0.000 0.541 241 P HA 0.033 nan 4.420 nan 0.000 0.271 241 P C -0.673 176.001 177.300 -1.042 0.000 1.233 241 P CA -0.218 62.285 63.100 -0.996 0.000 0.764 241 P CB 0.331 30.959 31.700 -1.786 0.000 0.825 242 K N 4.450 124.498 120.400 -0.586 0.000 2.171 242 K HA 0.142 4.463 4.320 0.000 0.000 0.274 242 K C 0.096 176.518 176.600 -0.297 0.000 1.110 242 K CA 0.031 56.114 56.287 -0.339 0.000 0.952 242 K CB -0.069 32.331 32.500 -0.167 0.000 1.309 242 K HN 0.476 nan 8.250 nan 0.000 0.414 243 W N 0.743 122.027 121.300 -0.026 0.000 2.129 243 W HA 0.342 5.002 4.660 0.000 0.000 0.349 243 W C 0.574 177.108 176.519 0.025 0.000 1.279 243 W CA -0.864 56.486 57.345 0.008 0.000 1.306 243 W CB 0.710 30.200 29.460 0.051 0.000 1.140 243 W HN 0.353 nan 8.180 nan 0.000 0.613 244 A N 2.203 125.199 122.820 0.292 0.000 2.312 244 A HA 0.533 4.853 4.320 0.000 0.000 0.328 244 A C -0.064 177.636 177.584 0.194 0.000 1.158 244 A CA -0.845 51.303 52.037 0.186 0.000 0.821 244 A CB 0.826 19.903 19.000 0.128 0.000 1.170 244 A HN 0.653 nan 8.150 nan 0.000 0.490 245 R N 1.368 121.968 120.500 0.167 0.000 2.491 245 R HA 0.169 4.509 4.340 0.000 0.000 0.283 245 R C -0.385 175.998 176.300 0.139 0.000 1.072 245 R CA 0.139 56.343 56.100 0.172 0.000 1.048 245 R CB 0.305 30.700 30.300 0.160 0.000 0.983 245 R HN 0.833 nan 8.270 nan 0.000 0.450 246 Q N 1.980 121.866 119.800 0.143 0.000 2.259 246 Q HA 0.053 4.394 4.340 0.000 0.000 0.246 246 Q C -0.719 175.363 176.000 0.137 0.000 0.920 246 Q CA -0.662 55.204 55.803 0.106 0.000 0.895 246 Q CB 1.177 29.951 28.738 0.061 0.000 1.220 246 Q HN 0.547 nan 8.270 nan 0.000 0.439 247 D N 0.744 121.202 120.400 0.097 0.000 2.450 247 D HA -0.091 4.549 4.640 0.000 0.000 0.247 247 D C 0.103 176.495 176.300 0.152 0.000 1.162 247 D CA 0.229 54.296 54.000 0.112 0.000 0.879 247 D CB 0.420 41.256 40.800 0.060 0.000 1.163 247 D HN 0.391 nan 8.370 nan 0.000 0.472 248 F N 2.279 122.205 119.950 -0.040 0.000 2.250 248 F HA -0.177 4.350 4.527 0.001 0.000 0.301 248 F C 2.552 178.300 175.800 -0.087 0.000 1.077 248 F CA 0.937 58.895 58.000 -0.070 0.000 1.348 248 F CB -0.316 38.639 39.000 -0.074 0.000 1.040 248 F HN 0.356 nan 8.300 nan 0.000 0.509 249 S N -0.552 115.180 115.700 0.055 0.000 2.447 249 S HA -0.132 4.338 4.470 0.000 0.000 0.233 249 S C 2.015 176.566 174.600 -0.082 0.000 1.006 249 S CA 0.700 58.884 58.200 -0.026 0.000 0.957 249 S CB -0.103 63.097 63.200 -0.001 0.000 0.773 249 S HN 0.297 nan 8.310 nan 0.000 0.507 250 K N 1.115 121.470 120.400 -0.076 0.000 2.044 250 K HA 0.066 4.387 4.320 0.000 0.000 0.204 250 K C 2.160 178.651 176.600 -0.182 0.000 1.049 250 K CA 0.746 56.974 56.287 -0.099 0.000 0.945 250 K CB -0.989 31.474 32.500 -0.063 0.000 0.724 250 K HN 0.268 nan 8.250 nan 0.000 0.440 251 V N 1.701 121.455 119.914 -0.268 0.000 2.214 251 V HA -0.160 3.960 4.120 0.000 0.000 0.244 251 V C 1.411 177.230 176.094 -0.458 0.000 1.045 251 V CA 1.353 63.389 62.300 -0.440 0.000 0.993 251 V CB -0.347 31.011 31.823 -0.774 0.000 0.633 251 V HN -0.023 nan 8.190 nan 0.000 0.449 252 V N 1.439 121.048 119.914 -0.508 0.000 2.266 252 V HA 0.246 4.366 4.120 0.000 0.000 0.271 252 V C -1.597 174.324 176.094 -0.288 0.000 1.032 252 V CA -1.024 61.023 62.300 -0.422 0.000 0.806 252 V CB 0.671 32.179 31.823 -0.525 0.000 1.052 252 V HN 0.338 nan 8.190 nan 0.000 0.449 253 P HA -0.110 nan 4.420 nan 0.000 0.214 253 P C -1.205 176.025 177.300 -0.116 0.000 1.169 253 P CA 1.783 64.796 63.100 -0.145 0.000 0.908 253 P CB -0.714 30.910 31.700 -0.126 0.000 0.791 254 P HA -0.056 nan 4.420 nan 0.000 0.222 254 P C 0.200 177.457 177.300 -0.072 0.000 1.147 254 P CA 0.616 63.668 63.100 -0.081 0.000 0.790 254 P CB -0.221 31.434 31.700 -0.075 0.000 0.780 255 L N 1.539 122.686 121.223 -0.126 0.000 2.456 255 L HA 0.058 4.398 4.340 0.000 0.000 0.272 255 L C 0.955 177.795 176.870 -0.051 0.000 1.189 255 L CA 0.172 54.941 54.840 -0.119 0.000 0.846 255 L CB -0.257 41.653 42.059 -0.248 0.000 1.111 255 L HN 0.072 nan 8.230 nan 0.000 0.475 256 D N 2.451 122.851 120.400 -0.000 0.000 2.478 256 D HA 0.040 4.681 4.640 0.000 0.000 0.269 256 D C 0.806 177.129 176.300 0.038 0.000 1.232 256 D CA -0.167 53.854 54.000 0.035 0.000 1.059 256 D CB 0.392 41.240 40.800 0.080 0.000 1.104 256 D HN 0.693 nan 8.370 nan 0.000 0.566 257 E N 0.184 120.416 120.200 0.054 0.000 2.049 257 E HA -0.277 4.073 4.350 0.000 0.000 0.198 257 E C 1.039 177.690 176.600 0.084 0.000 1.007 257 E CA 1.439 57.874 56.400 0.058 0.000 0.809 257 E CB -0.324 29.407 29.700 0.051 0.000 0.749 257 E HN 0.381 nan 8.360 nan 0.000 0.450 258 D N 1.034 121.514 120.400 0.133 0.000 2.092 258 D HA -0.138 4.502 4.640 0.000 0.000 0.193 258 D C 2.190 178.540 176.300 0.084 0.000 0.994 258 D CA 1.650 55.795 54.000 0.241 0.000 0.828 258 D CB -0.652 40.357 40.800 0.349 0.000 0.963 258 D HN 0.441 nan 8.370 nan 0.000 0.450 259 G N 1.166 109.936 108.800 -0.051 0.000 2.513 259 G HA2 -0.321 3.639 3.960 0.000 0.000 0.219 259 G HA3 -0.321 3.639 3.960 0.000 0.000 0.219 259 G C 1.723 176.511 174.900 -0.188 0.000 1.160 259 G CA 0.705 45.583 45.100 -0.370 0.000 0.767 259 G HN 0.254 nan 8.290 nan 0.000 0.571 260 R N 0.031 120.511 120.500 -0.034 0.000 2.148 260 R HA 0.036 4.376 4.340 0.000 0.000 0.227 260 R C 2.890 179.220 176.300 0.051 0.000 1.103 260 R CA 1.100 57.289 56.100 0.148 0.000 0.983 260 R CB -0.277 30.140 30.300 0.197 0.000 0.874 260 R HN 0.434 nan 8.270 nan 0.000 0.451 261 S N 1.021 116.731 115.700 0.017 0.000 2.335 261 S HA -0.105 4.365 4.470 0.000 0.000 0.217 261 S C 1.896 176.492 174.600 -0.007 0.000 1.032 261 S CA 0.829 59.056 58.200 0.045 0.000 0.985 261 S CB -0.204 63.128 63.200 0.220 0.000 0.896 261 S HN 0.210 nan 8.310 nan 0.000 0.445 262 L N 1.500 122.580 121.223 -0.238 0.000 2.042 262 L HA 0.017 4.357 4.340 0.000 0.000 0.210 262 L C 2.244 179.037 176.870 -0.129 0.000 1.076 262 L CA 1.820 56.350 54.840 -0.517 0.000 0.749 262 L CB -1.060 40.428 42.059 -0.951 0.000 0.893 262 L HN 0.507 nan 8.230 nan 0.000 0.432 263 L N -0.679 120.538 121.223 -0.010 0.000 2.056 263 L HA -0.164 4.176 4.340 0.000 0.000 0.207 263 L C 2.748 179.701 176.870 0.140 0.000 1.078 263 L CA 2.010 56.922 54.840 0.119 0.000 0.749 263 L CB -0.773 41.327 42.059 0.067 0.000 0.901 263 L HN 0.559 nan 8.230 nan 0.000 0.433 264 S N -1.444 114.267 115.700 0.018 0.000 2.419 264 S HA -0.259 4.211 4.470 0.000 0.000 0.235 264 S C 1.803 176.358 174.600 -0.075 0.000 1.019 264 S CA 1.377 59.417 58.200 -0.267 0.000 0.982 264 S CB -0.647 62.136 63.200 -0.694 0.000 0.789 264 S HN 0.697 nan 8.310 nan 0.000 0.490 265 Q N 0.110 119.910 119.800 0.001 0.000 2.269 265 Q HA 0.251 4.591 4.340 0.000 0.000 0.201 265 Q C 1.868 177.928 176.000 0.100 0.000 0.946 265 Q CA 0.801 56.651 55.803 0.079 0.000 0.877 265 Q CB -0.221 28.574 28.738 0.094 0.000 0.963 265 Q HN 0.632 nan 8.270 nan 0.000 0.472 266 M N -0.025 119.617 119.600 0.071 0.000 2.561 266 M HA 0.079 4.559 4.480 0.000 0.000 0.238 266 M C 0.636 176.952 176.300 0.028 0.000 1.131 266 M CA 0.691 56.036 55.300 0.075 0.000 1.046 266 M CB 0.558 33.198 32.600 0.067 0.000 1.532 266 M HN 0.085 nan 8.290 nan 0.000 0.497 267 L N -1.177 120.049 121.223 0.005 0.000 3.289 267 L HA 0.243 4.583 4.340 0.000 0.000 0.291 267 L C 0.036 176.949 176.870 0.073 0.000 1.279 267 L CA -0.363 54.408 54.840 -0.115 0.000 1.025 267 L CB -0.088 41.839 42.059 -0.220 0.000 1.413 267 L HN 0.165 nan 8.230 nan 0.000 0.593 268 H N -1.175 117.925 119.070 0.050 0.000 2.722 268 H HA 0.037 4.594 4.556 0.000 0.000 0.328 268 H C 0.769 176.056 175.328 -0.069 0.000 1.067 268 H CA 0.103 56.145 56.048 -0.009 0.000 1.447 268 H CB 0.795 30.552 29.762 -0.009 0.000 1.469 268 H HN 0.064 nan 8.280 nan 0.000 0.544 269 Y N 1.957 122.225 120.300 -0.052 0.000 2.030 269 Y HA -0.244 4.306 4.550 0.000 0.000 0.274 269 Y C 1.373 176.685 175.900 -0.981 0.000 1.153 269 Y CA 1.963 59.855 58.100 -0.348 0.000 1.115 269 Y CB -0.348 38.062 38.460 -0.084 0.000 0.969 269 Y HN 0.696 nan 8.280 nan 0.000 0.488 270 D N 1.388 121.604 120.400 -0.307 0.000 2.389 270 D HA -0.015 4.625 4.640 0.000 0.000 0.263 270 D C -1.616 174.474 176.300 -0.349 0.000 1.255 270 D CA -1.693 51.937 54.000 -0.616 0.000 0.914 270 D CB 0.838 41.594 40.800 -0.073 0.000 1.116 270 D HN 0.090 nan 8.370 nan 0.000 0.502 271 P HA -0.204 nan 4.420 nan 0.000 0.215 271 P C 1.142 178.384 177.300 -0.096 0.000 1.153 271 P CA 0.960 63.985 63.100 -0.126 0.000 0.853 271 P CB 0.219 31.903 31.700 -0.026 0.000 0.788 272 N N -0.139 118.518 118.700 -0.072 0.000 2.417 272 N HA -0.160 4.580 4.740 0.000 0.000 0.187 272 N C 1.416 176.848 175.510 -0.130 0.000 1.027 272 N CA 1.310 54.331 53.050 -0.050 0.000 0.891 272 N CB -0.223 38.270 38.487 0.010 0.000 0.956 272 N HN 0.043 nan 8.380 nan 0.000 0.442 273 K N -0.228 119.987 120.400 -0.309 0.000 2.370 273 K HA 0.088 4.409 4.320 0.000 0.000 0.194 273 K C 0.312 176.688 176.600 -0.373 0.000 1.070 273 K CA -0.201 55.797 56.287 -0.481 0.000 0.998 273 K CB 0.283 32.104 32.500 -1.132 0.000 0.911 273 K HN 0.141 nan 8.250 nan 0.000 0.533 274 R N 2.411 122.762 120.500 -0.247 0.000 2.480 274 R HA 0.032 4.372 4.340 0.000 0.000 0.303 274 R C 0.387 176.709 176.300 0.035 0.000 0.985 274 R CA -0.011 56.086 56.100 -0.006 0.000 1.051 274 R CB -0.113 30.228 30.300 0.069 0.000 0.935 274 R HN 0.098 nan 8.270 nan 0.000 0.410 275 I N 3.007 123.624 120.570 0.078 0.000 3.185 275 I HA -0.199 3.972 4.170 0.000 0.000 0.300 275 I C 0.393 176.578 176.117 0.113 0.000 1.245 275 I CA 1.076 62.436 61.300 0.100 0.000 1.413 275 I CB 0.570 38.647 38.000 0.127 0.000 1.324 275 I HN 0.829 nan 8.210 nan 0.000 0.588 276 S N 4.967 120.742 115.700 0.124 0.000 2.681 276 S HA 0.610 5.080 4.470 0.000 0.000 0.299 276 S C 0.769 175.463 174.600 0.156 0.000 1.113 276 S CA -0.188 58.099 58.200 0.145 0.000 1.013 276 S CB 1.734 65.014 63.200 0.133 0.000 1.076 276 S HN 0.804 nan 8.310 nan 0.000 0.534 277 A N 1.877 124.799 122.820 0.171 0.000 1.902 277 A HA -0.012 4.308 4.320 0.000 0.000 0.217 277 A C 2.135 179.779 177.584 0.099 0.000 1.181 277 A CA 1.515 53.618 52.037 0.111 0.000 0.623 277 A CB -0.896 18.137 19.000 0.054 0.000 0.818 277 A HN 0.919 nan 8.150 nan 0.000 0.443 278 K N -0.469 119.999 120.400 0.113 0.000 2.063 278 K HA -0.097 4.223 4.320 0.000 0.000 0.208 278 K C 2.288 178.961 176.600 0.121 0.000 1.048 278 K CA 1.198 57.545 56.287 0.100 0.000 0.928 278 K CB -0.273 32.288 32.500 0.102 0.000 0.713 278 K HN 0.466 nan 8.250 nan 0.000 0.442 279 A N 1.162 124.066 122.820 0.139 0.000 1.872 279 A HA -0.021 4.299 4.320 0.000 0.000 0.214 279 A C 2.343 180.065 177.584 0.231 0.000 1.187 279 A CA 1.515 53.648 52.037 0.161 0.000 0.614 279 A CB -0.711 18.375 19.000 0.143 0.000 0.826 279 A HN 0.313 nan 8.150 nan 0.000 0.442 280 A N -0.079 122.888 122.820 0.244 0.000 1.948 280 A HA -0.149 4.171 4.320 0.000 0.000 0.220 280 A C 2.150 180.035 177.584 0.500 0.000 1.177 280 A CA 1.662 53.906 52.037 0.344 0.000 0.636 280 A CB -0.711 18.450 19.000 0.269 0.000 0.815 280 A HN 0.490 nan 8.150 nan 0.000 0.449 281 L N -1.122 120.289 121.223 0.313 0.000 2.079 281 L HA -0.228 4.112 4.340 0.000 0.000 0.210 281 L C 3.078 180.195 176.870 0.412 0.000 1.081 281 L CA 1.055 56.051 54.840 0.260 0.000 0.752 281 L CB -0.483 41.607 42.059 0.052 0.000 0.896 281 L HN 0.479 nan 8.230 nan 0.000 0.433 282 A N -1.629 121.386 122.820 0.325 0.000 1.872 282 A HA -0.176 4.144 4.320 0.000 0.000 0.214 282 A C 1.119 178.896 177.584 0.322 0.000 1.187 282 A CA 0.339 52.537 52.037 0.268 0.000 0.614 282 A CB -0.716 18.391 19.000 0.179 0.000 0.826 282 A HN 0.422 nan 8.150 nan 0.000 0.442 283 H N 1.271 120.509 119.070 0.281 0.000 3.185 283 H HA -0.085 4.471 4.556 0.000 0.000 0.292 283 H C -1.278 174.157 175.328 0.177 0.000 0.923 283 H CA 0.395 56.576 56.048 0.222 0.000 1.364 283 H CB 0.629 30.520 29.762 0.216 0.000 1.243 283 H HN 0.172 nan 8.280 nan 0.000 0.570 284 P HA -0.260 nan 4.420 nan 0.000 0.216 284 P C 1.706 179.098 177.300 0.153 0.000 1.157 284 P CA 1.400 64.480 63.100 -0.034 0.000 0.880 284 P CB -0.306 31.302 31.700 -0.153 0.000 0.791 285 F N 0.764 120.856 119.950 0.237 0.000 2.101 285 F HA -0.264 4.263 4.527 0.000 0.000 0.298 285 F C 1.819 177.466 175.800 -0.255 0.000 1.076 285 F CA 1.642 59.589 58.000 -0.089 0.000 1.248 285 F CB -1.303 37.468 39.000 -0.382 0.000 0.999 285 F HN -0.235 nan 8.300 nan 0.000 0.488 286 F N 1.364 121.250 119.950 -0.107 0.000 2.558 286 F HA -0.083 4.444 4.527 0.000 0.000 0.298 286 F C 2.567 178.153 175.800 -0.355 0.000 1.119 286 F CA 0.885 58.644 58.000 -0.402 0.000 1.451 286 F CB -1.379 37.432 39.000 -0.315 0.000 1.091 286 F HN 0.203 nan 8.300 nan 0.000 0.563 287 Q N 1.299 121.070 119.800 -0.049 0.000 2.362 287 Q HA -0.279 4.061 4.340 0.000 0.000 0.216 287 Q C -0.238 175.704 176.000 -0.097 0.000 1.002 287 Q CA 2.250 58.021 55.803 -0.053 0.000 0.937 287 Q CB -1.046 27.673 28.738 -0.033 0.000 0.937 287 Q HN 0.524 nan 8.270 nan 0.000 0.424 288 D N -0.149 120.160 120.400 -0.152 0.000 2.895 288 D HA 0.293 4.933 4.640 0.000 0.000 0.350 288 D C -0.308 175.878 176.300 -0.191 0.000 1.389 288 D CA -0.556 53.358 54.000 -0.143 0.000 0.812 288 D CB 0.032 40.766 40.800 -0.110 0.000 1.164 288 D HN -0.007 nan 8.370 nan 0.000 0.455 289 V N 0.953 120.707 119.914 -0.266 0.000 2.775 289 V HA 0.433 4.553 4.120 0.000 0.000 0.299 289 V C 1.337 177.319 176.094 -0.186 0.000 1.062 289 V CA 0.292 62.410 62.300 -0.304 0.000 1.063 289 V CB 1.262 32.713 31.823 -0.619 0.000 0.994 289 V HN 0.601 nan 8.190 nan 0.000 0.483 290 T N 0.837 115.315 114.554 -0.126 0.000 2.511 290 T HA 0.539 4.890 4.350 0.000 0.000 0.209 290 T C -0.272 174.408 174.700 -0.033 0.000 0.805 290 T CA -0.673 61.387 62.100 -0.067 0.000 1.241 290 T CB 1.242 70.075 68.868 -0.057 0.000 1.785 290 T HN 0.454 nan 8.240 nan 0.000 0.492 291 K N 1.796 122.182 120.400 -0.023 0.000 3.204 291 K HA 0.367 4.687 4.320 0.000 0.000 0.196 291 K C -3.029 173.556 176.600 -0.025 0.000 1.229 291 K CA -1.072 55.212 56.287 -0.006 0.000 0.820 291 K CB 0.722 33.235 32.500 0.022 0.000 1.130 291 K HN 0.339 nan 8.250 nan 0.000 0.569 292 P HA -0.003 nan 4.420 nan 0.000 0.268 292 P C -0.750 176.516 177.300 -0.057 0.000 1.208 292 P CA -0.479 62.587 63.100 -0.056 0.000 0.777 292 P CB 0.812 32.463 31.700 -0.082 0.000 0.875 293 V N 4.608 124.510 119.914 -0.020 0.000 2.439 293 V HA 0.327 4.447 4.120 0.000 0.000 0.282 293 V C -1.658 174.444 176.094 0.013 0.000 1.039 293 V CA -1.377 60.923 62.300 -0.001 0.000 0.913 293 V CB 0.886 32.721 31.823 0.020 0.000 0.983 293 V HN 0.648 nan 8.190 nan 0.000 0.460 294 P HA 0.166 nan 4.420 nan 0.000 0.281 294 P C -0.724 176.670 177.300 0.157 0.000 1.249 294 P CA -0.429 62.721 63.100 0.084 0.000 0.810 294 P CB 0.710 32.323 31.700 -0.145 0.000 1.008 295 H N 3.788 122.989 119.070 0.218 0.000 3.067 295 H HA 0.215 4.771 4.556 0.000 0.000 0.265 295 H C -0.356 175.101 175.328 0.214 0.000 1.234 295 H CA -0.148 55.998 56.048 0.163 0.000 1.452 295 H CB -0.275 29.557 29.762 0.117 0.000 1.527 295 H HN 0.306 nan 8.280 nan 0.000 0.486 296 L N 4.424 125.477 121.223 -0.284 0.000 2.475 296 L HA 0.239 4.580 4.340 0.000 0.000 0.253 296 L C 0.564 177.261 176.870 -0.289 0.000 1.198 296 L CA -0.392 54.368 54.840 -0.134 0.000 0.814 296 L CB 0.605 42.639 42.059 -0.043 0.000 1.134 296 L HN 0.634 nan 8.230 nan 0.000 0.478 297 R N 1.504 121.962 120.500 -0.070 0.000 2.674 297 R HA 0.479 4.819 4.340 0.000 0.000 0.270 297 R C -1.244 175.003 176.300 -0.089 0.000 1.492 297 R CA -0.186 55.899 56.100 -0.026 0.000 1.624 297 R CB 0.470 30.812 30.300 0.070 0.000 1.307 297 R HN 0.244 nan 8.270 nan 0.000 0.683 298 L N 0.000 121.112 121.223 -0.184 0.000 2.949 298 L HA 0.000 4.340 4.340 0.000 0.000 0.249 298 L CA 0.000 54.577 54.840 -0.438 0.000 0.813 298 L CB 0.000 41.471 42.059 -0.979 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502