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 2ogj_1_A DATA FIRST_RESID 14 DATA SEQUENCE QAPILLTNVK PVGFGKGASQ SSTDILIGGD GKIAAVGSAL QAPADTQRID DATA SEQUENCE AXXAFISPGW VDLHVHIWHG GTDISIRPSE CGAERGVTTL VDAGSAGEAN DATA SEQUENCE FHGFREYIIE PSRERIKAFL NLGSIGLVAC NRVPELRDIK DIDLDRILEC DATA SEQUENCE YAENSEHIVG LXVRASHVIT GSWGVTPVKL GKKIAKILKV PXXVHVGEPP DATA SEQUENCE ALYDEVLEIL GPGDVVTHCF NGKSGSSIXE DEDLFNLAER CXXEGIRLDI DATA SEQUENCE GHGGASFSFK VAEAAIARGL LPFSISTDLH GHSXNFPVWD LATTXSKLLS DATA SEQUENCE VDXPFENVVE AVTRNPASVI RLDXENRLDV GQRADFTVFD LVDADLEATD DATA SEQUENCE SNGDVSRLKR LFEPRYAVIG AEAIAASRYI PRA 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 14 Q HA 0.000 nan 4.340 nan 0.000 0.214 14 Q C 0.000 176.000 176.000 0.000 0.000 1.003 14 Q CA 0.000 55.803 55.803 -0.000 0.000 1.022 14 Q CB 0.000 28.737 28.738 -0.001 0.000 1.108 15 A N 3.735 126.555 122.820 0.001 0.000 2.425 15 A HA 0.701 5.022 4.320 0.001 0.000 0.242 15 A C -1.944 175.641 177.584 0.001 0.000 1.077 15 A CA -0.704 51.333 52.037 0.001 0.000 0.781 15 A CB -0.213 18.787 19.000 0.000 0.000 1.020 15 A HN 0.474 nan 8.150 nan 0.000 0.494 16 P HA 0.488 nan 4.420 nan 0.000 0.274 16 P C -0.813 176.486 177.300 -0.001 0.000 1.246 16 P CA 0.009 63.111 63.100 0.002 0.000 0.795 16 P CB 0.813 32.514 31.700 0.001 0.000 1.006 17 I N 0.380 120.952 120.570 0.002 0.000 2.730 17 I HA 0.376 4.547 4.170 0.001 0.000 0.298 17 I C -0.555 175.556 176.117 -0.010 0.000 1.089 17 I CA -1.127 60.169 61.300 -0.008 0.000 1.041 17 I CB 2.264 40.260 38.000 -0.006 0.000 1.235 17 I HN 0.141 nan 8.210 nan 0.000 0.423 18 L N 6.271 127.476 121.223 -0.030 0.000 2.377 18 L HA 0.517 4.857 4.340 0.001 0.000 0.270 18 L C -1.477 175.355 176.870 -0.064 0.000 0.991 18 L CA -0.332 54.486 54.840 -0.036 0.000 0.851 18 L CB 1.157 43.196 42.059 -0.034 0.000 1.218 18 L HN 0.354 nan 8.230 nan 0.000 0.420 19 L N 4.706 125.887 121.223 -0.070 0.000 2.260 19 L HA 0.598 4.939 4.340 0.001 0.000 0.289 19 L C 0.685 177.496 176.870 -0.099 0.000 1.057 19 L CA 0.162 54.937 54.840 -0.108 0.000 0.811 19 L CB 1.269 43.261 42.059 -0.113 0.000 1.184 19 L HN 0.763 nan 8.230 nan 0.000 0.429 20 T N -0.551 113.946 114.554 -0.095 0.000 2.945 20 T HA 0.522 4.872 4.350 0.001 0.000 0.286 20 T C 0.087 174.737 174.700 -0.083 0.000 1.025 20 T CA -0.864 61.188 62.100 -0.080 0.000 1.039 20 T CB 1.157 69.987 68.868 -0.064 0.000 1.068 20 T HN 0.503 nan 8.240 nan 0.000 0.497 21 N N -0.847 117.806 118.700 -0.079 0.000 2.708 21 N HA -0.118 4.622 4.740 0.001 0.000 0.255 21 N C -0.199 175.256 175.510 -0.093 0.000 1.046 21 N CA 0.871 53.873 53.050 -0.080 0.000 0.715 21 N CB -2.348 36.096 38.487 -0.071 0.000 0.895 21 N HN 1.092 nan 8.380 nan 0.000 0.545 22 V N -3.175 116.679 119.914 -0.099 0.000 2.815 22 V HA 0.640 4.761 4.120 0.001 0.000 0.314 22 V C 0.382 176.429 176.094 -0.079 0.000 1.064 22 V CA -0.979 61.261 62.300 -0.099 0.000 0.952 22 V CB 2.761 34.513 31.823 -0.118 0.000 1.020 22 V HN 0.154 nan 8.190 nan 0.000 0.439 23 K N 3.432 123.809 120.400 -0.039 0.000 2.473 23 K HA 0.458 4.779 4.320 0.001 0.000 0.246 23 K C -2.833 173.880 176.600 0.188 0.000 1.011 23 K CA -1.721 54.594 56.287 0.047 0.000 0.984 23 K CB 1.659 34.167 32.500 0.013 0.000 1.250 23 K HN 0.513 nan 8.250 nan 0.000 0.454 24 P HA -0.076 nan 4.420 nan 0.000 0.260 24 P C -0.830 176.709 177.300 0.398 0.000 1.185 24 P CA -0.025 63.197 63.100 0.204 0.000 0.763 24 P CB 0.690 32.324 31.700 -0.110 0.000 0.776 25 V N 3.134 123.392 119.914 0.575 0.000 3.049 25 V HA 0.708 4.828 4.120 0.001 0.000 0.309 25 V C 0.749 177.000 176.094 0.261 0.000 1.148 25 V CA 0.384 62.926 62.300 0.404 0.000 0.990 25 V CB 1.676 33.679 31.823 0.300 0.000 1.039 25 V HN 0.732 nan 8.190 nan 0.000 0.430 26 G N 3.700 112.580 108.800 0.134 0.000 2.162 26 G HA2 -0.267 3.693 3.960 0.001 0.000 0.260 26 G HA3 -0.267 3.693 3.960 0.001 0.000 0.260 26 G C -0.114 174.666 174.900 -0.199 0.000 0.976 26 G CA 0.804 45.862 45.100 -0.071 0.000 0.655 26 G HN 0.706 nan 8.290 nan 0.000 0.533 27 F N 0.653 120.663 119.950 0.099 0.000 2.484 27 F HA 0.663 5.191 4.527 0.001 0.000 0.260 27 F C 1.852 177.693 175.800 0.068 0.000 0.995 27 F CA 0.101 58.156 58.000 0.092 0.000 1.075 27 F CB -0.686 38.372 39.000 0.097 0.000 2.044 27 F HN 0.166 nan 8.300 nan 0.000 0.607 28 G N -0.256 108.724 108.800 0.301 0.000 2.699 28 G HA2 0.085 4.045 3.960 0.001 0.000 0.246 28 G HA3 0.085 4.045 3.960 0.001 0.000 0.246 28 G C 0.434 175.417 174.900 0.138 0.000 1.219 28 G CA -0.286 44.915 45.100 0.168 0.000 0.866 28 G HN 0.489 nan 8.290 nan 0.000 0.572 29 K N -0.228 120.229 120.400 0.096 0.000 2.439 29 K HA 0.051 4.371 4.320 0.001 0.000 0.197 29 K C 1.933 178.580 176.600 0.079 0.000 1.041 29 K CA 1.324 57.660 56.287 0.082 0.000 0.970 29 K CB -0.132 32.405 32.500 0.062 0.000 0.773 29 K HN 0.442 nan 8.250 nan 0.000 0.479 30 G N -0.966 107.881 108.800 0.078 0.000 3.393 30 G HA2 0.347 4.307 3.960 0.001 0.000 0.255 30 G HA3 0.347 4.307 3.960 0.001 0.000 0.255 30 G C -0.288 174.648 174.900 0.061 0.000 1.097 30 G CA 0.052 45.190 45.100 0.062 0.000 0.780 30 G HN 0.330 nan 8.290 nan 0.000 0.540 31 A N 0.517 123.389 122.820 0.086 0.000 2.409 31 A HA 0.598 4.918 4.320 0.001 0.000 0.262 31 A C 0.804 178.420 177.584 0.054 0.000 1.113 31 A CA -0.109 51.967 52.037 0.064 0.000 0.790 31 A CB 0.533 19.604 19.000 0.118 0.000 1.046 31 A HN 0.331 nan 8.150 nan 0.000 0.496 32 S N 1.180 116.887 115.700 0.012 0.000 2.537 32 S HA 0.048 4.518 4.470 0.001 0.000 0.286 32 S C 0.994 175.615 174.600 0.035 0.000 1.299 32 S CA -0.009 58.200 58.200 0.016 0.000 1.067 32 S CB 0.490 63.683 63.200 -0.011 0.000 0.864 32 S HN 0.713 nan 8.310 nan 0.000 0.494 33 Q N 2.851 122.688 119.800 0.062 0.000 2.398 33 Q HA 0.111 4.451 4.340 0.001 0.000 0.204 33 Q C 0.764 176.804 176.000 0.068 0.000 0.932 33 Q CA 0.336 56.197 55.803 0.097 0.000 0.916 33 Q CB 0.143 28.949 28.738 0.114 0.000 1.024 33 Q HN 0.806 nan 8.270 nan 0.000 0.504 34 S N -1.055 114.662 115.700 0.029 0.000 2.576 34 S HA 0.210 4.680 4.470 0.001 0.000 0.276 34 S C 0.317 174.907 174.600 -0.017 0.000 1.339 34 S CA -0.585 57.617 58.200 0.004 0.000 1.039 34 S CB 1.363 64.560 63.200 -0.005 0.000 0.902 34 S HN 0.194 nan 8.310 nan 0.000 0.516 35 S N 2.079 117.759 115.700 -0.032 0.000 2.561 35 S HA 0.361 4.831 4.470 0.001 0.000 0.294 35 S C 0.060 174.625 174.600 -0.059 0.000 1.294 35 S CA 0.284 58.453 58.200 -0.053 0.000 1.055 35 S CB -0.725 62.437 63.200 -0.063 0.000 0.819 35 S HN 0.956 nan 8.310 nan 0.000 0.503 36 T N 3.139 117.647 114.554 -0.076 0.000 2.671 36 T HA 0.510 4.861 4.350 0.001 0.000 0.300 36 T C -1.921 172.723 174.700 -0.094 0.000 1.238 36 T CA -0.948 61.101 62.100 -0.084 0.000 1.020 36 T CB 1.129 69.935 68.868 -0.104 0.000 1.503 36 T HN 0.540 nan 8.240 nan 0.000 0.497 37 D N 0.158 120.504 120.400 -0.091 0.000 2.619 37 D HA 0.687 5.327 4.640 0.001 0.000 0.241 37 D C -0.858 175.385 176.300 -0.095 0.000 1.087 37 D CA -0.377 53.570 54.000 -0.089 0.000 0.851 37 D CB 1.625 42.386 40.800 -0.065 0.000 1.474 37 D HN 0.441 nan 8.370 nan 0.000 0.478 38 I N 1.242 121.753 120.570 -0.097 0.000 2.498 38 I HA 0.340 4.511 4.170 0.001 0.000 0.290 38 I C -1.045 175.059 176.117 -0.021 0.000 1.032 38 I CA -1.113 60.143 61.300 -0.074 0.000 1.073 38 I CB 2.105 40.024 38.000 -0.135 0.000 1.251 38 I HN 0.049 nan 8.210 nan 0.000 0.426 39 L N 7.637 128.862 121.223 0.004 0.000 2.280 39 L HA 0.546 4.886 4.340 0.001 0.000 0.287 39 L C -0.757 176.139 176.870 0.044 0.000 1.023 39 L CA -0.255 54.594 54.840 0.014 0.000 0.819 39 L CB 0.849 42.909 42.059 0.002 0.000 1.212 39 L HN 0.314 nan 8.230 nan 0.000 0.420 40 I N 4.771 125.370 120.570 0.049 0.000 2.336 40 I HA 0.425 4.595 4.170 0.001 0.000 0.292 40 I C 0.990 177.123 176.117 0.026 0.000 0.991 40 I CA -0.353 60.980 61.300 0.055 0.000 1.227 40 I CB 0.903 38.942 38.000 0.066 0.000 1.366 40 I HN 0.689 nan 8.210 nan 0.000 0.466 41 G N 3.289 112.101 108.800 0.021 0.000 2.539 41 G HA2 0.359 4.319 3.960 0.001 0.000 0.258 41 G HA3 0.359 4.319 3.960 0.001 0.000 0.258 41 G C 1.022 175.926 174.900 0.006 0.000 1.202 41 G CA -0.193 44.914 45.100 0.011 0.000 0.851 41 G HN 0.848 nan 8.290 nan 0.000 0.556 42 G N 0.222 109.024 108.800 0.003 0.000 2.516 42 G HA2 -0.202 3.759 3.960 0.001 0.000 0.221 42 G HA3 -0.202 3.759 3.960 0.001 0.000 0.221 42 G C 1.062 175.962 174.900 -0.001 0.000 1.107 42 G CA 1.333 46.434 45.100 0.001 0.000 0.747 42 G HN 0.698 nan 8.290 nan 0.000 0.567 43 D N -0.621 119.778 120.400 -0.001 0.000 2.325 43 D HA 0.202 4.843 4.640 0.001 0.000 0.225 43 D C 1.573 177.868 176.300 -0.008 0.000 1.096 43 D CA 0.168 54.165 54.000 -0.004 0.000 0.844 43 D CB -0.683 40.115 40.800 -0.003 0.000 0.925 43 D HN 0.380 nan 8.370 nan 0.000 0.513 44 G N 0.495 109.291 108.800 -0.007 0.000 2.198 44 G HA2 -0.317 3.643 3.960 0.001 0.000 0.260 44 G HA3 -0.317 3.643 3.960 0.001 0.000 0.260 44 G C -0.082 174.807 174.900 -0.019 0.000 1.025 44 G CA 0.265 45.355 45.100 -0.015 0.000 0.769 44 G HN 0.474 nan 8.290 nan 0.000 0.507 45 K N -0.486 119.913 120.400 -0.003 0.000 2.259 45 K HA 0.562 4.882 4.320 0.001 0.000 0.252 45 K C 0.639 177.256 176.600 0.028 0.000 0.936 45 K CA -1.193 55.097 56.287 0.005 0.000 0.810 45 K CB 1.824 34.327 32.500 0.004 0.000 1.143 45 K HN 0.165 nan 8.250 nan 0.000 0.427 46 I N 3.111 123.712 120.570 0.051 0.000 2.792 46 I HA -0.149 4.022 4.170 0.001 0.000 0.284 46 I C 1.291 177.436 176.117 0.046 0.000 1.166 46 I CA 0.214 61.562 61.300 0.080 0.000 1.375 46 I CB 0.452 38.526 38.000 0.123 0.000 1.421 46 I HN 0.830 nan 8.210 nan 0.000 0.544 47 A N 5.759 128.600 122.820 0.036 0.000 1.903 47 A HA 0.494 4.815 4.320 0.001 0.000 0.213 47 A C 1.076 178.668 177.584 0.014 0.000 1.185 47 A CA 1.229 53.277 52.037 0.020 0.000 0.628 47 A CB 0.099 19.107 19.000 0.014 0.000 0.830 47 A HN 0.780 nan 8.150 nan 0.000 0.446 48 A N -2.055 120.773 122.820 0.012 0.000 2.612 48 A HA 0.598 4.918 4.320 0.001 0.000 0.293 48 A C -1.572 176.005 177.584 -0.012 0.000 1.075 48 A CA -0.308 51.728 52.037 -0.001 0.000 0.680 48 A CB 1.111 20.107 19.000 -0.007 0.000 1.279 48 A HN 0.640 nan 8.150 nan 0.000 0.411 49 V N 0.590 120.488 119.914 -0.027 0.000 2.567 49 V HA 0.812 4.932 4.120 0.001 0.000 0.298 49 V C 0.305 176.368 176.094 -0.051 0.000 1.047 49 V CA 0.386 62.655 62.300 -0.052 0.000 0.880 49 V CB 1.407 33.187 31.823 -0.072 0.000 1.009 49 V HN 1.938 nan 8.190 nan 0.000 0.429 50 G N 1.564 110.332 108.800 -0.055 0.000 2.576 50 G HA2 0.426 4.387 3.960 0.001 0.000 0.290 50 G HA3 0.426 4.387 3.960 0.001 0.000 0.290 50 G C 0.397 175.268 174.900 -0.048 0.000 1.442 50 G CA 0.341 45.413 45.100 -0.046 0.000 0.792 50 G HN 0.485 nan 8.290 nan 0.000 0.491 51 S N -1.152 114.524 115.700 -0.041 0.000 2.440 51 S HA 0.167 4.637 4.470 0.001 0.000 0.240 51 S C 1.118 175.695 174.600 -0.038 0.000 1.014 51 S CA 2.393 60.569 58.200 -0.039 0.000 0.980 51 S CB -0.288 62.893 63.200 -0.031 0.000 0.775 51 S HN 2.110 nan 8.310 nan 0.000 0.499 52 A N 0.368 123.167 122.820 -0.035 0.000 2.392 52 A HA 0.430 4.750 4.320 0.001 0.000 0.289 52 A C -0.510 177.057 177.584 -0.028 0.000 1.309 52 A CA -0.807 51.210 52.037 -0.032 0.000 0.920 52 A CB -0.268 18.715 19.000 -0.028 0.000 1.395 52 A HN 0.296 nan 8.150 nan 0.000 0.511 53 L N 0.086 121.291 121.223 -0.030 0.000 2.475 53 L HA 0.601 4.942 4.340 0.001 0.000 0.253 53 L C 0.478 177.335 176.870 -0.022 0.000 1.198 53 L CA -0.790 54.035 54.840 -0.024 0.000 0.814 53 L CB 0.365 42.409 42.059 -0.025 0.000 1.134 53 L HN 0.601 nan 8.230 nan 0.000 0.478 54 Q N 0.235 120.024 119.800 -0.017 0.000 2.345 54 Q HA 0.806 5.146 4.340 0.001 0.000 0.268 54 Q C -0.939 175.053 176.000 -0.014 0.000 1.054 54 Q CA -0.429 55.364 55.803 -0.015 0.000 0.835 54 Q CB 2.288 31.019 28.738 -0.013 0.000 1.339 54 Q HN 0.720 nan 8.270 nan 0.000 0.447 55 A N 1.584 124.396 122.820 -0.013 0.000 2.527 55 A HA 0.857 5.177 4.320 0.001 0.000 0.293 55 A C -2.218 175.361 177.584 -0.009 0.000 1.117 55 A CA -1.200 50.830 52.037 -0.011 0.000 0.723 55 A CB 0.323 19.316 19.000 -0.013 0.000 1.313 55 A HN 0.642 nan 8.150 nan 0.000 0.411 56 P HA 0.367 nan 4.420 nan 0.000 0.231 56 P C 0.027 177.323 177.300 -0.007 0.000 1.257 56 P CA 0.921 64.017 63.100 -0.006 0.000 0.656 56 P CB 0.204 31.902 31.700 -0.005 0.000 0.993 57 A N 0.685 123.502 122.820 -0.006 0.000 2.508 57 A HA 0.492 4.812 4.320 0.001 0.000 0.336 57 A C -0.871 176.709 177.584 -0.006 0.000 1.360 57 A CA -0.401 51.633 52.037 -0.005 0.000 0.841 57 A CB -0.479 18.518 19.000 -0.004 0.000 1.136 57 A HN 0.433 nan 8.150 nan 0.000 0.489 58 D N 0.696 121.092 120.400 -0.008 0.000 2.661 58 D HA 0.230 4.870 4.640 0.001 0.000 0.228 58 D C -0.772 175.520 176.300 -0.012 0.000 1.210 58 D CA -0.463 53.532 54.000 -0.008 0.000 0.826 58 D CB 0.778 41.573 40.800 -0.008 0.000 1.542 58 D HN 0.085 nan 8.370 nan 0.000 0.447 59 T N 1.679 116.225 114.554 -0.013 0.000 2.778 59 T HA 0.033 4.383 4.350 0.001 0.000 0.282 59 T C 0.047 174.727 174.700 -0.032 0.000 0.983 59 T CA 0.391 62.480 62.100 -0.018 0.000 1.193 59 T CB 0.086 68.944 68.868 -0.017 0.000 0.938 59 T HN 0.186 nan 8.240 nan 0.000 0.523 60 Q N 3.254 123.033 119.800 -0.034 0.000 2.307 60 Q HA 0.452 4.793 4.340 0.001 0.000 0.262 60 Q C -0.129 175.834 176.000 -0.061 0.000 0.961 60 Q CA -0.646 55.130 55.803 -0.046 0.000 0.882 60 Q CB 2.007 30.725 28.738 -0.034 0.000 1.264 60 Q HN 0.513 nan 8.270 nan 0.000 0.446 61 R N 2.296 122.736 120.500 -0.100 0.000 2.561 61 R HA 0.586 4.926 4.340 0.001 0.000 0.297 61 R C -0.750 175.477 176.300 -0.123 0.000 0.969 61 R CA -0.567 55.449 56.100 -0.140 0.000 0.879 61 R CB 2.071 32.183 30.300 -0.313 0.000 1.178 61 R HN 0.590 nan 8.270 nan 0.000 0.445 62 I N 1.407 121.935 120.570 -0.071 0.000 3.023 62 I HA 0.397 4.567 4.170 0.001 0.000 0.312 62 I C -0.716 175.391 176.117 -0.016 0.000 1.056 62 I CA -0.584 60.686 61.300 -0.050 0.000 1.033 62 I CB 1.922 39.903 38.000 -0.033 0.000 1.233 62 I HN 0.712 nan 8.210 nan 0.000 0.462 63 D N 3.236 123.623 120.400 -0.021 0.000 2.954 63 D HA 0.680 5.320 4.640 0.001 0.000 0.137 63 D C -0.699 175.581 176.300 -0.033 0.000 1.293 63 D CA 0.002 54.003 54.000 0.001 0.000 1.560 63 D CB 0.524 41.323 40.800 -0.001 0.000 1.654 63 D HN 0.680 nan 8.370 nan 0.000 0.193 68 F N 1.029 120.813 119.950 -0.277 0.000 2.563 68 F HA 0.502 5.029 4.527 0.001 0.000 0.363 68 F C 0.363 175.951 175.800 -0.353 0.000 1.123 68 F CA 0.790 58.544 58.000 -0.409 0.000 1.307 68 F CB 0.632 39.087 39.000 -0.908 0.000 1.115 68 F HN 0.338 nan 8.300 nan 0.000 0.592 69 I N 2.923 123.570 120.570 0.128 0.000 2.607 69 I HA 0.431 4.601 4.170 0.001 0.000 0.290 69 I C -0.935 175.437 176.117 0.425 0.000 1.129 69 I CA -0.051 61.367 61.300 0.198 0.000 1.042 69 I CB 1.541 39.562 38.000 0.035 0.000 1.242 69 I HN 0.685 nan 8.210 nan 0.000 0.421 70 S N 7.114 123.086 115.700 0.453 0.000 2.685 70 S HA 0.717 5.187 4.470 0.001 0.000 0.282 70 S C -3.046 171.645 174.600 0.153 0.000 1.159 70 S CA -1.440 56.890 58.200 0.217 0.000 0.833 70 S CB 2.053 65.448 63.200 0.324 0.000 1.151 70 S HN 0.387 nan 8.310 nan 0.000 0.485 71 P HA 0.196 nan 4.420 nan 0.000 0.269 71 P C 0.535 177.899 177.300 0.107 0.000 1.215 71 P CA 0.342 63.466 63.100 0.040 0.000 0.780 71 P CB -0.258 31.361 31.700 -0.135 0.000 0.898 72 G N 2.446 111.302 108.800 0.093 0.000 2.224 72 G HA2 -0.060 3.900 3.960 0.001 0.000 0.239 72 G HA3 -0.060 3.900 3.960 0.001 0.000 0.239 72 G C -0.277 174.714 174.900 0.153 0.000 1.240 72 G CA -0.443 44.693 45.100 0.059 0.000 0.896 72 G HN 0.367 nan 8.290 nan 0.000 0.496 73 W N 1.351 122.633 121.300 -0.029 0.000 2.231 73 W HA 0.315 4.976 4.660 0.001 0.000 0.341 73 W C 0.078 176.554 176.519 -0.071 0.000 1.298 73 W CA -0.739 56.551 57.345 -0.092 0.000 1.266 73 W CB 0.251 29.634 29.460 -0.127 0.000 1.172 73 W HN 0.194 nan 8.180 nan 0.000 0.568 74 V N 3.941 123.925 119.914 0.117 0.000 2.350 74 V HA 0.055 4.176 4.120 0.001 0.000 0.285 74 V C -0.298 175.798 176.094 0.003 0.000 1.014 74 V CA -0.795 61.534 62.300 0.049 0.000 0.831 74 V CB 1.345 33.178 31.823 0.017 0.000 1.000 74 V HN 0.307 nan 8.190 nan 0.000 0.433 75 D N 4.047 124.463 120.400 0.027 0.000 2.428 75 D HA 0.180 4.820 4.640 0.001 0.000 0.221 75 D C 0.618 176.948 176.300 0.050 0.000 1.123 75 D CA -0.439 53.564 54.000 0.005 0.000 0.869 75 D CB 1.739 42.545 40.800 0.011 0.000 1.032 75 D HN 0.404 nan 8.370 nan 0.000 0.506 76 L N 4.281 125.540 121.223 0.061 0.000 2.549 76 L HA 0.063 4.404 4.340 0.001 0.000 0.229 76 L C -0.022 176.957 176.870 0.181 0.000 1.158 76 L CA 1.159 56.080 54.840 0.135 0.000 0.842 76 L CB -0.499 41.642 42.059 0.136 0.000 0.952 76 L HN 0.537 nan 8.230 nan 0.000 0.452 77 H N -0.694 118.374 119.070 -0.003 0.000 3.162 77 H HA 0.554 5.110 4.556 0.001 0.000 0.309 77 H C -1.385 173.881 175.328 -0.103 0.000 1.156 77 H CA -0.485 55.527 56.048 -0.060 0.000 1.586 77 H CB 0.749 30.459 29.762 -0.087 0.000 1.740 77 H HN -0.048 nan 8.280 nan 0.000 0.525 78 V N 1.237 121.191 119.914 0.067 0.000 3.181 78 V HA 0.508 4.628 4.120 0.001 0.000 0.308 78 V C -1.106 174.838 176.094 -0.250 0.000 1.214 78 V CA -0.940 61.356 62.300 -0.006 0.000 1.053 78 V CB 2.596 34.458 31.823 0.065 0.000 1.069 78 V HN 0.719 nan 8.190 nan 0.000 0.441 79 H N 2.706 121.929 119.070 0.256 0.000 2.866 79 H HA 0.525 5.081 4.556 0.001 0.000 0.287 79 H C -0.115 175.379 175.328 0.278 0.000 1.106 79 H CA -0.081 56.122 56.048 0.258 0.000 1.396 79 H CB 1.610 31.528 29.762 0.259 0.000 1.469 79 H HN 0.859 nan 8.280 nan 0.000 0.500 80 I N -1.930 118.878 120.570 0.397 0.000 3.762 80 I HA 0.203 4.374 4.170 0.001 0.000 0.333 80 I C 0.254 176.744 176.117 0.622 0.000 1.566 80 I CA -0.306 61.244 61.300 0.416 0.000 1.129 80 I CB 0.141 38.319 38.000 0.296 0.000 1.218 80 I HN 0.311 nan 8.210 nan 0.000 0.456 81 W N 3.436 124.981 121.300 0.409 0.000 1.694 81 W HA 0.230 4.891 4.660 0.000 0.000 0.425 81 W C 0.637 177.293 176.519 0.228 0.000 0.615 81 W CA -0.995 56.599 57.345 0.415 0.000 2.237 81 W CB 0.005 29.620 29.460 0.259 0.000 1.478 81 W HN 0.338 nan 8.180 nan 0.000 0.427 82 H N 1.100 120.489 119.070 0.532 0.000 3.034 82 H HA 0.191 4.748 4.556 0.001 0.000 0.324 82 H C 1.371 176.797 175.328 0.163 0.000 1.015 82 H CA 2.233 58.431 56.048 0.251 0.000 1.429 82 H CB 0.861 30.727 29.762 0.173 0.000 1.429 82 H HN 0.578 nan 8.280 nan 0.000 0.585 83 G N 3.036 111.424 108.800 -0.686 0.000 2.708 83 G HA2 -0.399 3.562 3.960 0.001 0.000 0.229 83 G HA3 -0.399 3.562 3.960 0.001 0.000 0.229 83 G C 1.545 176.109 174.900 -0.560 0.000 1.236 83 G CA 0.488 45.255 45.100 -0.556 0.000 0.749 83 G HN 1.077 nan 8.290 nan 0.000 0.515 84 G N 0.438 108.670 108.800 -0.946 0.000 2.422 84 G HA2 0.306 4.267 3.960 0.001 0.000 0.218 84 G HA3 0.306 4.267 3.960 0.001 0.000 0.218 84 G C 1.034 175.232 174.900 -1.171 0.000 1.146 84 G CA 2.467 46.465 45.100 -1.836 0.000 0.769 84 G HN 1.778 nan 8.290 nan 0.000 0.547 85 T N -2.649 111.405 114.554 -0.832 0.000 2.926 85 T HA 0.451 4.801 4.350 0.001 0.000 0.289 85 T C 0.777 175.305 174.700 -0.287 0.000 1.054 85 T CA 0.196 62.028 62.100 -0.445 0.000 1.015 85 T CB 2.200 70.906 68.868 -0.270 0.000 1.167 85 T HN 0.062 nan 8.240 nan 0.000 0.526 86 D N 0.160 120.439 120.400 -0.201 0.000 2.240 86 D HA -0.032 4.608 4.640 0.001 0.000 0.206 86 D C 1.624 177.844 176.300 -0.134 0.000 0.963 86 D CA 0.255 54.161 54.000 -0.157 0.000 0.863 86 D CB -0.235 40.493 40.800 -0.120 0.000 0.973 86 D HN 0.355 nan 8.370 nan 0.000 0.501 87 I N 1.073 121.563 120.570 -0.133 0.000 3.059 87 I HA 0.035 4.205 4.170 0.001 0.000 0.270 87 I C 0.342 176.443 176.117 -0.026 0.000 1.238 87 I CA 0.140 61.350 61.300 -0.151 0.000 1.478 87 I CB -0.153 37.697 38.000 -0.250 0.000 1.097 87 I HN -0.201 nan 8.210 nan 0.000 0.455 88 S N 1.347 117.082 115.700 0.058 0.000 2.593 88 S HA 0.403 4.873 4.470 0.001 0.000 0.269 88 S C 0.339 175.072 174.600 0.223 0.000 1.334 88 S CA -0.318 58.011 58.200 0.215 0.000 1.015 88 S CB 0.565 63.948 63.200 0.305 0.000 0.912 88 S HN 0.287 nan 8.310 nan 0.000 0.541 89 I N -0.805 119.921 120.570 0.261 0.000 3.449 89 I HA 0.656 4.827 4.170 0.001 0.000 0.294 89 I C -0.172 176.080 176.117 0.225 0.000 1.163 89 I CA -1.512 59.922 61.300 0.222 0.000 1.010 89 I CB 0.986 39.068 38.000 0.138 0.000 1.307 89 I HN 0.339 nan 8.210 nan 0.000 0.518 90 R N 1.077 121.630 120.500 0.088 0.000 2.500 90 R HA 0.365 4.706 4.340 0.001 0.000 0.277 90 R C -1.809 174.513 176.300 0.036 0.000 1.026 90 R CA -1.502 54.593 56.100 -0.008 0.000 1.058 90 R CB 0.757 30.945 30.300 -0.188 0.000 1.078 90 R HN 0.475 nan 8.270 nan 0.000 0.509 91 P HA -0.156 nan 4.420 nan 0.000 0.221 91 P C 1.003 178.313 177.300 0.018 0.000 1.150 91 P CA 1.214 64.332 63.100 0.031 0.000 0.800 91 P CB 0.168 31.870 31.700 0.004 0.000 0.787 92 S N -0.123 115.575 115.700 -0.004 0.000 2.474 92 S HA -0.111 4.359 4.470 0.001 0.000 0.235 92 S C 1.668 176.282 174.600 0.024 0.000 0.997 92 S CA 0.816 59.017 58.200 0.002 0.000 0.949 92 S CB -0.955 62.235 63.200 -0.016 0.000 0.766 92 S HN 0.243 nan 8.310 nan 0.000 0.517 93 E N -0.057 120.161 120.200 0.030 0.000 2.447 93 E HA 0.092 4.443 4.350 0.001 0.000 0.195 93 E C 1.256 177.889 176.600 0.056 0.000 1.028 93 E CA 0.681 57.113 56.400 0.053 0.000 0.876 93 E CB 0.313 30.041 29.700 0.048 0.000 0.885 93 E HN 0.890 nan 8.360 nan 0.000 0.500 94 C N -2.930 116.401 119.300 0.051 0.000 3.722 94 C HA 0.533 4.994 4.460 0.001 0.000 0.279 94 C C 1.239 176.268 174.990 0.065 0.000 1.819 94 C CA -0.420 58.630 59.018 0.052 0.000 1.744 94 C CB -0.369 27.395 27.740 0.041 0.000 3.247 94 C HN 0.240 nan 8.230 nan 0.000 0.549 95 G N 1.285 110.120 108.800 0.058 0.000 3.365 95 G HA2 0.493 4.454 3.960 0.001 0.000 0.185 95 G HA3 0.493 4.454 3.960 0.001 0.000 0.185 95 G C 1.460 176.392 174.900 0.054 0.000 1.565 95 G CA 0.490 45.623 45.100 0.055 0.000 0.984 95 G HN 0.599 nan 8.290 nan 0.000 0.604 96 A N -0.260 122.581 122.820 0.036 0.000 1.873 96 A HA -0.144 4.177 4.320 0.001 0.000 0.218 96 A C 2.064 179.662 177.584 0.024 0.000 1.193 96 A CA 2.392 54.444 52.037 0.026 0.000 0.629 96 A CB -0.844 18.168 19.000 0.020 0.000 0.826 96 A HN 0.648 nan 8.150 nan 0.000 0.447 97 E N -1.050 119.167 120.200 0.028 0.000 2.455 97 E HA -0.184 4.166 4.350 0.001 0.000 0.202 97 E C 1.319 177.941 176.600 0.037 0.000 1.045 97 E CA 0.615 57.030 56.400 0.025 0.000 0.872 97 E CB 0.052 29.770 29.700 0.029 0.000 0.792 97 E HN 0.390 nan 8.360 nan 0.000 0.542 98 R N -1.512 119.022 120.500 0.057 0.000 2.437 98 R HA 0.140 4.480 4.340 0.001 0.000 0.257 98 R C 1.064 177.417 176.300 0.089 0.000 0.927 98 R CA 0.696 56.854 56.100 0.096 0.000 1.078 98 R CB 1.254 31.632 30.300 0.129 0.000 1.161 98 R HN 0.239 nan 8.270 nan 0.000 0.529 99 G N 0.978 109.780 108.800 0.002 0.000 2.157 99 G HA2 -0.236 3.724 3.960 0.001 0.000 0.239 99 G HA3 -0.236 3.724 3.960 0.001 0.000 0.239 99 G C -0.036 174.819 174.900 -0.075 0.000 0.982 99 G CA 0.099 45.101 45.100 -0.163 0.000 0.650 99 G HN 0.100 nan 8.290 nan 0.000 0.527 100 V N 1.308 121.279 119.914 0.095 0.000 2.350 100 V HA 0.530 4.651 4.120 0.001 0.000 0.276 100 V C 1.308 177.452 176.094 0.082 0.000 1.028 100 V CA 0.501 62.897 62.300 0.160 0.000 0.860 100 V CB 1.278 33.201 31.823 0.167 0.000 0.990 100 V HN 0.255 nan 8.190 nan 0.000 0.453 101 T N 2.335 116.935 114.554 0.076 0.000 3.031 101 T HA 0.034 4.384 4.350 0.001 0.000 0.254 101 T C 0.776 175.499 174.700 0.038 0.000 1.060 101 T CA 0.852 62.976 62.100 0.039 0.000 1.135 101 T CB 0.224 69.105 68.868 0.022 0.000 0.896 101 T HN 0.642 nan 8.240 nan 0.000 0.472 102 T N 2.293 116.879 114.554 0.054 0.000 2.812 102 T HA 0.662 5.013 4.350 0.001 0.000 0.282 102 T C -0.881 173.852 174.700 0.056 0.000 0.990 102 T CA -0.495 61.632 62.100 0.044 0.000 0.960 102 T CB 1.465 70.355 68.868 0.036 0.000 0.948 102 T HN 0.060 nan 8.240 nan 0.000 0.438 103 L N 3.041 124.298 121.223 0.057 0.000 2.346 103 L HA 0.726 5.067 4.340 0.001 0.000 0.276 103 L C -0.724 176.198 176.870 0.087 0.000 1.006 103 L CA -1.150 53.734 54.840 0.073 0.000 0.817 103 L CB 2.015 44.120 42.059 0.077 0.000 1.272 103 L HN 0.348 nan 8.230 nan 0.000 0.421 104 V N 1.594 121.565 119.914 0.096 0.000 2.349 104 V HA 0.191 4.312 4.120 0.001 0.000 0.284 104 V C -0.182 175.983 176.094 0.120 0.000 1.014 104 V CA -0.722 61.639 62.300 0.102 0.000 0.826 104 V CB 1.428 33.317 31.823 0.111 0.000 1.009 104 V HN 0.708 nan 8.190 nan 0.000 0.431 105 D N 4.262 124.738 120.400 0.126 0.000 2.390 105 D HA 0.253 4.893 4.640 0.001 0.000 0.249 105 D C 0.253 176.571 176.300 0.030 0.000 1.144 105 D CA -0.091 53.935 54.000 0.044 0.000 0.880 105 D CB 1.925 42.692 40.800 -0.055 0.000 1.182 105 D HN 0.668 nan 8.370 nan 0.000 0.451 106 A N 3.031 125.776 122.820 -0.124 0.000 3.095 106 A HA 0.509 4.829 4.320 0.001 0.000 0.301 106 A C 1.023 178.604 177.584 -0.006 0.000 1.432 106 A CA 0.080 52.023 52.037 -0.157 0.000 1.140 106 A CB -0.369 18.216 19.000 -0.691 0.000 1.174 106 A HN 0.800 nan 8.150 nan 0.000 0.546 107 G N 0.470 109.308 108.800 0.064 0.000 2.225 107 G HA2 -0.245 3.716 3.960 0.001 0.000 0.264 107 G HA3 -0.245 3.716 3.960 0.001 0.000 0.264 107 G C 0.865 175.847 174.900 0.136 0.000 1.060 107 G CA 0.561 45.710 45.100 0.081 0.000 0.833 107 G HN 0.711 nan 8.290 nan 0.000 0.498 108 S N -0.764 115.039 115.700 0.172 0.000 2.436 108 S HA 0.464 4.934 4.470 0.001 0.000 0.228 108 S C 1.445 176.243 174.600 0.330 0.000 1.014 108 S CA 1.175 59.538 58.200 0.272 0.000 0.950 108 S CB 0.268 63.702 63.200 0.390 0.000 0.784 108 S HN 1.658 nan 8.310 nan 0.000 0.504 109 A N 0.616 123.592 122.820 0.259 0.000 2.356 109 A HA 0.793 5.113 4.320 0.001 0.000 0.323 109 A C 0.372 178.097 177.584 0.234 0.000 1.119 109 A CA -0.379 51.870 52.037 0.354 0.000 0.790 109 A CB 1.153 20.297 19.000 0.240 0.000 1.273 109 A HN 0.329 nan 8.150 nan 0.000 0.452 110 G N -0.449 108.497 108.800 0.243 0.000 2.990 110 G HA2 0.489 4.450 3.960 0.001 0.000 0.208 110 G HA3 0.489 4.450 3.960 0.001 0.000 0.208 110 G C 0.370 175.395 174.900 0.208 0.000 1.334 110 G CA 0.305 45.509 45.100 0.174 0.000 1.024 110 G HN 0.762 nan 8.290 nan 0.000 0.574 111 E N -0.537 119.754 120.200 0.152 0.000 2.208 111 E HA 0.116 4.466 4.350 0.001 0.000 0.193 111 E C 2.229 178.961 176.600 0.221 0.000 0.988 111 E CA 1.420 57.918 56.400 0.163 0.000 0.828 111 E CB -0.520 29.239 29.700 0.098 0.000 0.763 111 E HN 0.404 nan 8.360 nan 0.000 0.478 112 A N 2.219 125.161 122.820 0.204 0.000 1.859 112 A HA -0.233 4.087 4.320 0.001 0.000 0.217 112 A C 1.693 179.478 177.584 0.336 0.000 1.198 112 A CA 2.010 54.178 52.037 0.219 0.000 0.629 112 A CB -0.788 18.311 19.000 0.166 0.000 0.830 112 A HN 0.488 nan 8.150 nan 0.000 0.446 113 N N -1.795 117.121 118.700 0.360 0.000 2.467 113 N HA 0.162 4.902 4.740 0.001 0.000 0.278 113 N C 0.247 175.958 175.510 0.335 0.000 1.306 113 N CA -0.355 52.923 53.050 0.379 0.000 0.905 113 N CB -0.446 38.276 38.487 0.392 0.000 1.236 113 N HN 0.306 nan 8.380 nan 0.000 0.509 114 F N 2.317 122.401 119.950 0.223 0.000 2.259 114 F HA -0.111 4.417 4.527 0.001 0.000 0.298 114 F C 2.455 178.271 175.800 0.025 0.000 1.088 114 F CA 1.414 59.469 58.000 0.091 0.000 1.358 114 F CB -0.028 39.025 39.000 0.089 0.000 1.040 114 F HN 0.300 nan 8.300 nan 0.000 0.505 115 H N -1.362 117.773 119.070 0.108 0.000 2.422 115 H HA -0.020 4.537 4.556 0.001 0.000 0.298 115 H C 2.242 177.445 175.328 -0.208 0.000 1.098 115 H CA 1.340 57.372 56.048 -0.027 0.000 1.315 115 H CB -1.459 28.331 29.762 0.047 0.000 1.382 115 H HN 0.356 nan 8.280 nan 0.000 0.523 116 G N 0.469 108.788 108.800 -0.802 0.000 2.402 116 G HA2 -0.253 3.708 3.960 0.001 0.000 0.216 116 G HA3 -0.253 3.708 3.960 0.001 0.000 0.216 116 G C 1.621 176.102 174.900 -0.698 0.000 1.162 116 G CA 0.538 45.330 45.100 -0.515 0.000 0.777 116 G HN 0.432 nan 8.290 nan 0.000 0.539 117 F N 1.437 120.633 119.950 -1.258 0.000 2.134 117 F HA 0.019 4.546 4.527 0.001 0.000 0.299 117 F C 2.669 177.835 175.800 -1.056 0.000 1.097 117 F CA 1.767 58.777 58.000 -1.649 0.000 1.264 117 F CB -0.171 37.787 39.000 -1.736 0.000 1.001 117 F HN 0.060 nan 8.300 nan 0.000 0.479 118 R N 0.326 120.254 120.500 -0.955 0.000 2.083 118 R HA -0.221 4.119 4.340 0.001 0.000 0.237 118 R C 2.378 178.312 176.300 -0.609 0.000 1.137 118 R CA 2.070 57.706 56.100 -0.774 0.000 0.951 118 R CB -0.556 29.441 30.300 -0.506 0.000 0.851 118 R HN 0.478 nan 8.270 nan 0.000 0.434 119 E N -0.977 118.885 120.200 -0.563 0.000 2.072 119 E HA -0.175 4.175 4.350 0.001 0.000 0.190 119 E C 1.506 177.834 176.600 -0.454 0.000 0.982 119 E CA 1.064 57.164 56.400 -0.500 0.000 0.803 119 E CB 0.034 29.385 29.700 -0.580 0.000 0.755 119 E HN 0.394 nan 8.360 nan 0.000 0.453 120 Y N -0.390 119.727 120.300 -0.304 0.000 2.397 120 Y HA -0.004 4.546 4.550 0.000 0.000 0.292 120 Y C 1.998 177.720 175.900 -0.297 0.000 1.115 120 Y CA 0.290 58.265 58.100 -0.209 0.000 1.208 120 Y CB 0.194 38.628 38.460 -0.044 0.000 1.046 120 Y HN 0.124 nan 8.280 nan 0.000 0.552 121 I N -1.077 119.228 120.570 -0.441 0.000 2.899 121 I HA -0.034 4.137 4.170 0.001 0.000 0.257 121 I C 2.102 177.872 176.117 -0.579 0.000 1.115 121 I CA 0.584 61.544 61.300 -0.567 0.000 1.451 121 I CB -1.139 36.254 38.000 -1.013 0.000 1.251 121 I HN 0.094 nan 8.210 nan 0.000 0.456 122 I N 1.369 121.474 120.570 -0.775 0.000 2.094 122 I HA -0.262 3.908 4.170 0.001 0.000 0.234 122 I C 2.511 178.425 176.117 -0.339 0.000 1.063 122 I CA 1.520 62.496 61.300 -0.541 0.000 1.328 122 I CB -0.478 37.139 38.000 -0.639 0.000 1.058 122 I HN 0.194 nan 8.210 nan 0.000 0.400 123 E N 0.877 120.880 120.200 -0.329 0.000 2.070 123 E HA -0.218 4.132 4.350 0.001 0.000 0.197 123 E C -0.653 175.865 176.600 -0.136 0.000 1.004 123 E CA 1.622 57.903 56.400 -0.198 0.000 0.805 123 E CB -1.059 28.532 29.700 -0.182 0.000 0.744 123 E HN 0.552 nan 8.360 nan 0.000 0.451 124 P HA 0.067 nan 4.420 nan 0.000 0.241 124 P C -0.105 177.147 177.300 -0.079 0.000 1.191 124 P CA 0.444 63.492 63.100 -0.085 0.000 0.771 124 P CB 0.484 32.148 31.700 -0.061 0.000 0.929 125 S N 0.683 116.320 115.700 -0.105 0.000 2.580 125 S HA 0.160 4.631 4.470 0.001 0.000 0.274 125 S C 1.523 176.089 174.600 -0.057 0.000 1.329 125 S CA -0.579 57.572 58.200 -0.082 0.000 1.036 125 S CB 0.936 64.074 63.200 -0.103 0.000 0.919 125 S HN 0.211 nan 8.310 nan 0.000 0.515 126 R N 0.988 121.465 120.500 -0.038 0.000 2.240 126 R HA 0.150 4.491 4.340 0.001 0.000 0.203 126 R C -0.177 176.110 176.300 -0.022 0.000 1.011 126 R CA 0.436 56.520 56.100 -0.026 0.000 1.007 126 R CB -0.101 30.190 30.300 -0.016 0.000 0.911 126 R HN 0.418 nan 8.270 nan 0.000 0.468 127 E N 1.414 121.601 120.200 -0.021 0.000 2.312 127 E HA 0.188 4.538 4.350 0.001 0.000 0.259 127 E C -0.721 175.870 176.600 -0.014 0.000 1.122 127 E CA -0.820 55.573 56.400 -0.011 0.000 0.922 127 E CB 0.724 30.426 29.700 0.002 0.000 1.109 127 E HN 0.031 nan 8.360 nan 0.000 0.442 128 R N 1.420 121.919 120.500 -0.001 0.000 2.234 128 R HA 0.321 4.662 4.340 0.001 0.000 0.324 128 R C -0.899 175.410 176.300 0.016 0.000 1.054 128 R CA -0.125 55.978 56.100 0.006 0.000 0.912 128 R CB 0.104 30.410 30.300 0.011 0.000 1.030 128 R HN 0.503 nan 8.270 nan 0.000 0.455 129 I N 5.854 126.433 120.570 0.015 0.000 2.410 129 I HA 0.315 4.485 4.170 0.001 0.000 0.286 129 I C -0.302 175.872 176.117 0.096 0.000 1.009 129 I CA -0.758 60.564 61.300 0.036 0.000 1.111 129 I CB 1.624 39.600 38.000 -0.040 0.000 1.262 129 I HN 0.458 nan 8.210 nan 0.000 0.443 130 K N 4.783 125.250 120.400 0.112 0.000 2.306 130 K HA 0.953 5.273 4.320 0.001 0.000 0.236 130 K C -0.878 175.802 176.600 0.133 0.000 1.013 130 K CA -0.959 55.395 56.287 0.112 0.000 0.857 130 K CB 2.747 35.244 32.500 -0.005 0.000 1.214 130 K HN 0.589 nan 8.250 nan 0.000 0.449 131 A N 0.850 123.717 122.820 0.079 0.000 2.574 131 A HA 0.670 4.991 4.320 0.001 0.000 0.297 131 A C -1.681 175.842 177.584 -0.102 0.000 1.062 131 A CA -0.737 51.327 52.037 0.044 0.000 0.686 131 A CB 0.737 19.835 19.000 0.164 0.000 1.285 131 A HN 0.484 nan 8.150 nan 0.000 0.403 132 F N 1.071 120.998 119.950 -0.038 0.000 2.410 132 F HA 0.494 5.022 4.527 0.001 0.000 0.349 132 F C 0.272 176.033 175.800 -0.064 0.000 1.117 132 F CA -0.343 57.620 58.000 -0.063 0.000 1.104 132 F CB 1.638 40.576 39.000 -0.105 0.000 1.122 132 F HN 0.479 nan 8.300 nan 0.000 0.483 133 L N 5.207 126.482 121.223 0.087 0.000 2.331 133 L HA 0.259 4.600 4.340 0.001 0.000 0.278 133 L C 0.158 177.060 176.870 0.053 0.000 1.106 133 L CA -0.041 54.815 54.840 0.028 0.000 0.824 133 L CB 0.160 42.183 42.059 -0.060 0.000 1.142 133 L HN 0.504 nan 8.230 nan 0.000 0.443 134 N N 3.913 122.648 118.700 0.057 0.000 2.518 134 N HA -0.023 4.718 4.740 0.001 0.000 0.266 134 N C 0.953 176.478 175.510 0.026 0.000 1.196 134 N CA 0.071 53.143 53.050 0.036 0.000 0.947 134 N CB 0.868 39.385 38.487 0.049 0.000 1.098 134 N HN 0.849 nan 8.380 nan 0.000 0.450 135 L N 2.052 123.277 121.223 0.004 0.000 2.131 135 L HA 0.028 4.368 4.340 0.001 0.000 0.210 135 L C 1.062 177.951 176.870 0.033 0.000 1.092 135 L CA 0.811 55.654 54.840 0.005 0.000 0.759 135 L CB -0.564 41.484 42.059 -0.018 0.000 0.903 135 L HN 0.542 nan 8.230 nan 0.000 0.435 136 G N -1.521 107.302 108.800 0.038 0.000 2.432 136 G HA2 0.207 4.167 3.960 0.001 0.000 0.257 136 G HA3 0.207 4.167 3.960 0.001 0.000 0.257 136 G C 0.740 175.678 174.900 0.063 0.000 1.238 136 G CA -0.098 45.036 45.100 0.056 0.000 0.838 136 G HN 0.193 nan 8.290 nan 0.000 0.547 137 S N 1.203 116.943 115.700 0.067 0.000 2.355 137 S HA -0.170 4.300 4.470 0.001 0.000 0.222 137 S C 2.292 176.946 174.600 0.091 0.000 1.031 137 S CA 1.358 59.605 58.200 0.079 0.000 0.993 137 S CB -0.311 62.931 63.200 0.069 0.000 0.859 137 S HN 0.739 nan 8.310 nan 0.000 0.453 138 I N 0.071 120.682 120.570 0.069 0.000 3.444 138 I HA 0.274 4.444 4.170 0.001 0.000 0.287 138 I C 1.225 177.378 176.117 0.059 0.000 1.302 138 I CA 0.172 61.508 61.300 0.060 0.000 1.368 138 I CB -1.408 36.610 38.000 0.030 0.000 1.048 138 I HN 0.289 nan 8.210 nan 0.000 0.487 139 G N 2.869 111.715 108.800 0.077 0.000 2.602 139 G HA2 -0.320 3.641 3.960 0.001 0.000 0.306 139 G HA3 -0.320 3.641 3.960 0.001 0.000 0.306 139 G C 0.158 175.074 174.900 0.028 0.000 1.301 139 G CA 0.534 45.682 45.100 0.081 0.000 0.974 139 G HN 0.444 nan 8.290 nan 0.000 0.547 140 L N 1.766 122.999 121.223 0.018 0.000 3.034 140 L HA 0.218 4.559 4.340 0.001 0.000 0.245 140 L C 2.218 179.032 176.870 -0.092 0.000 1.295 140 L CA -0.057 54.757 54.840 -0.045 0.000 1.068 140 L CB 0.078 42.097 42.059 -0.066 0.000 1.426 140 L HN 0.494 nan 8.230 nan 0.000 0.531 141 V N -0.829 119.024 119.914 -0.101 0.000 2.252 141 V HA -0.233 3.888 4.120 0.001 0.000 0.249 141 V C 1.602 177.622 176.094 -0.123 0.000 1.056 141 V CA 1.845 64.055 62.300 -0.151 0.000 1.022 141 V CB -0.751 30.997 31.823 -0.124 0.000 0.641 141 V HN 0.553 nan 8.190 nan 0.000 0.445 142 A N -1.000 121.770 122.820 -0.084 0.000 3.154 142 A HA 0.414 4.734 4.320 0.001 0.000 0.310 142 A C 0.434 177.982 177.584 -0.059 0.000 1.093 142 A CA -0.231 51.766 52.037 -0.066 0.000 1.006 142 A CB -0.702 18.270 19.000 -0.048 0.000 1.084 142 A HN 0.592 nan 8.150 nan 0.000 0.549 143 C N 1.827 121.078 119.300 -0.082 0.000 1.986 143 C HA -0.065 4.396 4.460 0.001 0.000 0.404 143 C C 1.395 176.348 174.990 -0.062 0.000 1.551 143 C CA 1.583 60.546 59.018 -0.093 0.000 1.457 143 C CB -1.535 26.111 27.740 -0.157 0.000 2.639 143 C HN 0.911 nan 8.230 nan 0.000 0.590 144 N N 2.636 121.306 118.700 -0.049 0.000 2.922 144 N HA -0.209 4.531 4.740 0.001 0.000 0.231 144 N C 0.970 176.474 175.510 -0.009 0.000 0.889 144 N CA 2.369 55.405 53.050 -0.024 0.000 1.027 144 N CB -0.774 37.700 38.487 -0.021 0.000 1.059 144 N HN 0.871 nan 8.380 nan 0.000 0.613 145 R N -0.117 120.375 120.500 -0.013 0.000 2.112 145 R HA 0.223 4.563 4.340 0.001 0.000 0.216 145 R C 0.243 176.540 176.300 -0.005 0.000 1.080 145 R CA 0.948 57.044 56.100 -0.006 0.000 0.996 145 R CB 0.672 30.967 30.300 -0.009 0.000 0.902 145 R HN -0.009 nan 8.270 nan 0.000 0.449 146 V N 3.076 122.983 119.914 -0.011 0.000 2.383 146 V HA 0.235 4.355 4.120 0.001 0.000 0.264 146 V C -2.437 173.655 176.094 -0.004 0.000 1.001 146 V CA -1.893 60.403 62.300 -0.007 0.000 0.828 146 V CB 1.101 32.916 31.823 -0.013 0.000 1.069 146 V HN 0.024 nan 8.190 nan 0.000 0.451 147 P HA -0.081 nan 4.420 nan 0.000 0.265 147 P C 0.962 178.273 177.300 0.019 0.000 1.167 147 P CA 0.451 63.560 63.100 0.014 0.000 0.760 147 P CB 0.662 32.384 31.700 0.037 0.000 0.783 148 E N 3.519 123.729 120.200 0.017 0.000 2.447 148 E HA -0.022 4.329 4.350 0.001 0.000 0.195 148 E C 0.274 176.912 176.600 0.062 0.000 1.028 148 E CA 0.806 57.223 56.400 0.029 0.000 0.876 148 E CB -0.030 29.681 29.700 0.017 0.000 0.885 148 E HN 0.460 nan 8.360 nan 0.000 0.500 149 L N 1.760 123.039 121.223 0.094 0.000 2.892 149 L HA 0.390 4.731 4.340 0.001 0.000 0.251 149 L C 1.195 178.236 176.870 0.284 0.000 1.339 149 L CA -0.302 54.655 54.840 0.195 0.000 0.900 149 L CB 0.531 42.698 42.059 0.180 0.000 1.246 149 L HN -0.106 nan 8.230 nan 0.000 0.524 150 R N 0.398 120.978 120.500 0.133 0.000 2.193 150 R HA 0.012 4.353 4.340 0.001 0.000 0.213 150 R C -0.386 175.803 176.300 -0.185 0.000 1.055 150 R CA 0.810 56.930 56.100 0.032 0.000 0.995 150 R CB 0.047 30.339 30.300 -0.014 0.000 0.893 150 R HN 0.614 nan 8.270 nan 0.000 0.459 151 D N -2.448 117.826 120.400 -0.212 0.000 2.871 151 D HA -0.048 4.592 4.640 0.001 0.000 0.330 151 D C 0.210 176.343 176.300 -0.280 0.000 1.364 151 D CA -0.740 52.878 54.000 -0.637 0.000 0.759 151 D CB -0.053 40.449 40.800 -0.497 0.000 1.325 151 D HN -0.136 nan 8.370 nan 0.000 0.452 152 I N -1.759 118.622 120.570 -0.315 0.000 2.916 152 I HA 0.071 4.241 4.170 0.001 0.000 0.267 152 I C 1.569 177.686 176.117 -0.000 0.000 1.263 152 I CA 0.566 61.859 61.300 -0.011 0.000 1.471 152 I CB -0.903 37.109 38.000 0.019 0.000 1.089 152 I HN 0.316 nan 8.210 nan 0.000 0.468 153 K N 0.917 121.289 120.400 -0.046 0.000 2.365 153 K HA -0.046 4.274 4.320 0.001 0.000 0.199 153 K C 0.978 177.585 176.600 0.011 0.000 1.045 153 K CA 0.952 57.229 56.287 -0.018 0.000 0.962 153 K CB -0.186 32.293 32.500 -0.035 0.000 0.759 153 K HN 0.439 nan 8.250 nan 0.000 0.469 154 D N 0.765 121.181 120.400 0.026 0.000 2.317 154 D HA 0.016 4.656 4.640 0.001 0.000 0.211 154 D C 0.480 176.824 176.300 0.073 0.000 0.966 154 D CA 0.727 54.759 54.000 0.053 0.000 0.876 154 D CB 0.319 41.163 40.800 0.072 0.000 0.927 154 D HN 0.182 nan 8.370 nan 0.000 0.519 155 I N 1.217 121.838 120.570 0.084 0.000 2.339 155 I HA 0.128 4.299 4.170 0.001 0.000 0.290 155 I C -0.160 175.992 176.117 0.058 0.000 0.994 155 I CA -0.472 60.877 61.300 0.081 0.000 1.191 155 I CB 1.780 39.848 38.000 0.114 0.000 1.343 155 I HN -0.333 nan 8.210 nan 0.000 0.458 156 D N 7.193 127.621 120.400 0.047 0.000 2.432 156 D HA 0.159 4.800 4.640 0.001 0.000 0.265 156 D C 0.757 177.075 176.300 0.030 0.000 1.160 156 D CA -0.323 53.700 54.000 0.037 0.000 0.911 156 D CB 1.392 42.215 40.800 0.039 0.000 1.052 156 D HN 0.543 nan 8.370 nan 0.000 0.508 157 L N 3.176 124.414 121.223 0.025 0.000 2.013 157 L HA -0.195 4.146 4.340 0.001 0.000 0.212 157 L C 1.391 178.268 176.870 0.012 0.000 1.073 157 L CA 1.657 56.505 54.840 0.013 0.000 0.753 157 L CB 0.182 42.246 42.059 0.010 0.000 0.890 157 L HN 0.264 nan 8.230 nan 0.000 0.432 158 D N -0.349 120.060 120.400 0.015 0.000 2.097 158 D HA -0.184 4.456 4.640 0.001 0.000 0.195 158 D C 2.328 178.641 176.300 0.021 0.000 0.989 158 D CA 1.275 55.285 54.000 0.015 0.000 0.827 158 D CB -0.107 40.701 40.800 0.014 0.000 0.966 158 D HN 0.388 nan 8.370 nan 0.000 0.456 159 R N 0.123 120.638 120.500 0.026 0.000 2.115 159 R HA 0.014 4.354 4.340 0.001 0.000 0.230 159 R C 2.527 178.849 176.300 0.037 0.000 1.111 159 R CA 0.419 56.539 56.100 0.033 0.000 0.976 159 R CB -0.108 30.217 30.300 0.040 0.000 0.870 159 R HN 0.255 nan 8.270 nan 0.000 0.445 160 I N 0.786 121.374 120.570 0.030 0.000 2.252 160 I HA -0.281 3.890 4.170 0.001 0.000 0.245 160 I C 2.178 178.317 176.117 0.037 0.000 1.102 160 I CA 1.228 62.543 61.300 0.025 0.000 1.385 160 I CB -0.181 37.824 38.000 0.007 0.000 1.064 160 I HN 0.160 nan 8.210 nan 0.000 0.414 161 L N 0.249 121.489 121.223 0.029 0.000 2.046 161 L HA -0.224 4.117 4.340 0.001 0.000 0.208 161 L C 2.603 179.514 176.870 0.069 0.000 1.077 161 L CA 1.457 56.324 54.840 0.045 0.000 0.747 161 L CB -0.645 41.426 42.059 0.021 0.000 0.896 161 L HN 0.351 nan 8.230 nan 0.000 0.432 162 E N -0.235 119.991 120.200 0.043 0.000 2.031 162 E HA -0.286 4.065 4.350 0.001 0.000 0.193 162 E C 2.392 179.010 176.600 0.030 0.000 0.994 162 E CA 1.718 58.137 56.400 0.033 0.000 0.800 162 E CB -0.087 29.628 29.700 0.024 0.000 0.752 162 E HN 0.522 nan 8.360 nan 0.000 0.447 163 C N 0.342 119.663 119.300 0.034 0.000 2.413 163 C HA -0.200 4.261 4.460 0.001 0.000 0.276 163 C C 2.642 177.602 174.990 -0.049 0.000 1.248 163 C CA 1.326 60.349 59.018 0.010 0.000 1.742 163 C CB -1.378 26.366 27.740 0.008 0.000 2.017 163 C HN 0.670 nan 8.230 nan 0.000 0.481 164 Y N 1.678 121.905 120.300 -0.122 0.000 2.242 164 Y HA 0.021 4.571 4.550 0.001 0.000 0.291 164 Y C 2.366 178.206 175.900 -0.100 0.000 1.137 164 Y CA 1.764 59.778 58.100 -0.144 0.000 1.181 164 Y CB -0.639 37.749 38.460 -0.120 0.000 0.989 164 Y HN 0.326 nan 8.280 nan 0.000 0.527 165 A N 0.283 123.070 122.820 -0.055 0.000 1.933 165 A HA -0.203 4.118 4.320 0.001 0.000 0.218 165 A C 1.974 179.464 177.584 -0.157 0.000 1.175 165 A CA 1.977 53.957 52.037 -0.095 0.000 0.628 165 A CB -0.608 18.394 19.000 0.003 0.000 0.814 165 A HN 0.648 nan 8.150 nan 0.000 0.444 166 E N -0.883 119.249 120.200 -0.113 0.000 2.481 166 E HA -0.023 4.327 4.350 0.001 0.000 0.195 166 E C -0.204 176.344 176.600 -0.087 0.000 1.047 166 E CA 0.599 56.956 56.400 -0.071 0.000 0.867 166 E CB -0.004 29.692 29.700 -0.007 0.000 0.858 166 E HN 0.738 nan 8.360 nan 0.000 0.513 167 N N -0.874 117.703 118.700 -0.205 0.000 2.475 167 N HA -0.008 4.732 4.740 0.001 0.000 0.272 167 N C 0.499 175.758 175.510 -0.418 0.000 1.482 167 N CA -0.006 52.939 53.050 -0.175 0.000 0.863 167 N CB 1.176 39.660 38.487 -0.004 0.000 1.400 167 N HN -0.059 nan 8.380 nan 0.000 0.489 168 S N -0.100 115.235 115.700 -0.609 0.000 2.440 168 S HA -0.185 4.285 4.470 0.001 0.000 0.238 168 S C 1.351 175.711 174.600 -0.400 0.000 1.010 168 S CA 1.029 58.779 58.200 -0.749 0.000 0.972 168 S CB -0.190 62.619 63.200 -0.651 0.000 0.774 168 S HN 0.313 nan 8.310 nan 0.000 0.501 169 E N 0.533 120.486 120.200 -0.412 0.000 2.427 169 E HA 0.021 4.371 4.350 0.001 0.000 0.196 169 E C 1.469 177.830 176.600 -0.398 0.000 1.028 169 E CA 0.927 57.072 56.400 -0.425 0.000 0.864 169 E CB -0.193 29.169 29.700 -0.563 0.000 0.813 169 E HN 0.684 nan 8.360 nan 0.000 0.514 170 H N -0.792 118.252 119.070 -0.043 0.000 2.800 170 H HA 0.321 4.878 4.556 0.001 0.000 0.257 170 H C 0.368 175.718 175.328 0.037 0.000 0.967 170 H CA -0.087 56.002 56.048 0.069 0.000 1.192 170 H CB 0.750 30.677 29.762 0.275 0.000 1.441 170 H HN 0.071 nan 8.280 nan 0.000 0.461 171 I N 3.185 123.749 120.570 -0.010 0.000 2.325 171 I HA 0.005 4.175 4.170 0.001 0.000 0.291 171 I C 1.318 177.421 176.117 -0.023 0.000 1.019 171 I CA -0.311 60.939 61.300 -0.083 0.000 1.302 171 I CB 1.809 39.692 38.000 -0.195 0.000 1.401 171 I HN -0.064 nan 8.210 nan 0.000 0.485 172 V N 2.633 122.448 119.914 -0.165 0.000 3.621 172 V HA 0.653 4.774 4.120 0.001 0.000 0.285 172 V C 0.627 176.566 176.094 -0.257 0.000 1.346 172 V CA 0.304 62.462 62.300 -0.237 0.000 1.104 172 V CB -0.481 31.086 31.823 -0.427 0.000 0.913 172 V HN 0.939 nan 8.190 nan 0.000 0.432 173 G N -0.187 108.518 108.800 -0.158 0.000 2.337 173 G HA2 0.409 4.369 3.960 0.001 0.000 0.298 173 G HA3 0.409 4.369 3.960 0.001 0.000 0.298 173 G C -1.771 173.226 174.900 0.163 0.000 1.335 173 G CA -0.650 44.463 45.100 0.021 0.000 0.875 173 G HN 0.112 nan 8.290 nan 0.000 0.579 177 R N 2.628 122.976 120.500 -0.253 0.000 2.369 177 R HA 0.663 5.004 4.340 0.001 0.000 0.310 177 R C 0.342 176.489 176.300 -0.255 0.000 1.141 177 R CA -0.147 55.645 56.100 -0.513 0.000 1.116 177 R CB 1.395 31.246 30.300 -0.749 0.000 1.135 177 R HN 0.881 nan 8.270 nan 0.000 0.529 178 A N 2.159 124.942 122.820 -0.061 0.000 2.915 178 A HA 0.326 4.646 4.320 0.001 0.000 0.292 178 A C -0.412 177.219 177.584 0.078 0.000 1.632 178 A CA 0.048 52.072 52.037 -0.022 0.000 1.337 178 A CB 0.131 19.102 19.000 -0.049 0.000 1.111 178 A HN 0.509 nan 8.150 nan 0.000 0.569 179 S N -0.314 115.424 115.700 0.063 0.000 2.535 179 S HA 0.318 4.788 4.470 0.001 0.000 0.272 179 S C 0.492 175.123 174.600 0.052 0.000 1.149 179 S CA -0.407 57.837 58.200 0.073 0.000 0.888 179 S CB 0.910 64.227 63.200 0.194 0.000 1.110 179 S HN 0.926 nan 8.310 nan 0.000 0.463 180 H N 0.608 119.721 119.070 0.071 0.000 2.518 180 H HA 0.037 4.593 4.556 0.001 0.000 0.292 180 H C 1.271 176.639 175.328 0.065 0.000 1.068 180 H CA 1.543 57.632 56.048 0.068 0.000 1.275 180 H CB -0.386 29.412 29.762 0.059 0.000 1.375 180 H HN 0.271 nan 8.280 nan 0.000 0.563 181 V N 0.001 119.900 119.914 -0.026 0.000 2.515 181 V HA -0.153 3.967 4.120 0.001 0.000 0.250 181 V C 1.924 178.056 176.094 0.064 0.000 1.058 181 V CA 1.723 64.049 62.300 0.043 0.000 1.064 181 V CB -0.335 31.461 31.823 -0.046 0.000 0.675 181 V HN 0.364 nan 8.190 nan 0.000 0.461 182 I N -0.118 120.479 120.570 0.046 0.000 2.726 182 I HA -0.055 4.115 4.170 0.001 0.000 0.243 182 I C 2.443 178.621 176.117 0.102 0.000 1.082 182 I CA 1.621 62.943 61.300 0.035 0.000 1.447 182 I CB -0.928 37.047 38.000 -0.042 0.000 1.250 182 I HN 0.307 nan 8.210 nan 0.000 0.453 183 T N -1.162 113.466 114.554 0.123 0.000 3.160 183 T HA 0.328 4.678 4.350 0.001 0.000 0.257 183 T C 1.528 176.421 174.700 0.321 0.000 1.147 183 T CA 0.378 62.622 62.100 0.240 0.000 1.064 183 T CB -0.776 68.143 68.868 0.086 0.000 0.949 183 T HN 0.535 nan 8.240 nan 0.000 0.526 184 G N 1.796 110.737 108.800 0.234 0.000 2.646 184 G HA2 -0.376 3.584 3.960 0.001 0.000 0.324 184 G HA3 -0.376 3.584 3.960 0.001 0.000 0.324 184 G C 1.191 176.215 174.900 0.205 0.000 1.195 184 G CA 0.670 45.897 45.100 0.211 0.000 0.976 184 G HN 0.580 nan 8.290 nan 0.000 0.546 185 S N 0.674 116.493 115.700 0.198 0.000 2.511 185 S HA 0.145 4.616 4.470 0.001 0.000 0.214 185 S C 1.238 175.994 174.600 0.259 0.000 0.997 185 S CA 0.934 59.234 58.200 0.168 0.000 0.908 185 S CB 0.007 63.260 63.200 0.089 0.000 0.803 185 S HN 0.807 nan 8.310 nan 0.000 0.504 186 W N 2.650 123.960 121.300 0.018 0.000 3.400 186 W HA 0.489 5.150 4.660 0.001 0.000 0.347 186 W C 0.748 177.277 176.519 0.017 0.000 1.218 186 W CA -0.605 56.748 57.345 0.013 0.000 1.837 186 W CB -1.737 27.727 29.460 0.007 0.000 1.067 186 W HN 0.225 nan 8.180 nan 0.000 0.701 187 G N 2.744 111.561 108.800 0.028 0.000 2.678 187 G HA2 -0.512 3.448 3.960 0.001 0.000 0.362 187 G HA3 -0.512 3.448 3.960 0.001 0.000 0.362 187 G C 1.139 175.890 174.900 -0.249 0.000 1.169 187 G CA 3.036 48.083 45.100 -0.089 0.000 0.933 187 G HN 0.783 nan 8.290 nan 0.000 0.587 188 V N -1.427 118.382 119.914 -0.176 0.000 2.759 188 V HA -0.029 4.091 4.120 0.001 0.000 0.256 188 V C 2.757 178.680 176.094 -0.284 0.000 1.080 188 V CA 2.822 65.005 62.300 -0.196 0.000 1.101 188 V CB -1.473 30.288 31.823 -0.104 0.000 0.698 188 V HN 0.716 nan 8.190 nan 0.000 0.477 189 T N 1.971 116.314 114.554 -0.351 0.000 2.597 189 T HA -0.154 4.197 4.350 0.001 0.000 0.267 189 T C 0.283 174.674 174.700 -0.514 0.000 1.053 189 T CA 2.678 64.556 62.100 -0.371 0.000 1.165 189 T CB -1.704 66.989 68.868 -0.292 0.000 0.863 189 T HN 0.580 nan 8.240 nan 0.000 0.427 190 P HA -0.035 nan 4.420 nan 0.000 0.217 190 P C 1.577 178.687 177.300 -0.318 0.000 1.148 190 P CA 0.931 63.658 63.100 -0.623 0.000 0.828 190 P CB -0.308 30.952 31.700 -0.733 0.000 0.783 191 V N 0.834 120.574 119.914 -0.291 0.000 2.358 191 V HA -0.184 3.936 4.120 0.001 0.000 0.246 191 V C 2.659 178.666 176.094 -0.145 0.000 1.047 191 V CA 1.720 63.909 62.300 -0.186 0.000 1.035 191 V CB -1.074 30.654 31.823 -0.158 0.000 0.658 191 V HN 0.129 nan 8.190 nan 0.000 0.452 192 K N -0.049 120.263 120.400 -0.147 0.000 2.025 192 K HA -0.094 4.226 4.320 0.001 0.000 0.207 192 K C 2.201 178.748 176.600 -0.089 0.000 1.049 192 K CA 1.311 57.537 56.287 -0.102 0.000 0.933 192 K CB -0.393 32.055 32.500 -0.086 0.000 0.714 192 K HN 0.327 nan 8.250 nan 0.000 0.438 193 L N 0.472 121.635 121.223 -0.100 0.000 2.042 193 L HA -0.185 4.156 4.340 0.001 0.000 0.210 193 L C 2.561 179.391 176.870 -0.066 0.000 1.076 193 L CA 1.534 56.336 54.840 -0.065 0.000 0.749 193 L CB -0.871 41.158 42.059 -0.050 0.000 0.893 193 L HN 0.365 nan 8.230 nan 0.000 0.432 194 G N -0.259 108.488 108.800 -0.088 0.000 2.446 194 G HA2 -0.364 3.596 3.960 0.001 0.000 0.217 194 G HA3 -0.364 3.596 3.960 0.001 0.000 0.217 194 G C 1.602 176.456 174.900 -0.077 0.000 1.168 194 G CA 1.106 46.157 45.100 -0.081 0.000 0.771 194 G HN 0.188 nan 8.290 nan 0.000 0.551 195 K N 0.765 121.117 120.400 -0.080 0.000 2.103 195 K HA -0.080 4.241 4.320 0.001 0.000 0.207 195 K C 2.319 178.879 176.600 -0.066 0.000 1.048 195 K CA 1.611 57.854 56.287 -0.073 0.000 0.930 195 K CB -0.265 32.193 32.500 -0.070 0.000 0.716 195 K HN 0.248 nan 8.250 nan 0.000 0.444 196 K N 0.610 120.974 120.400 -0.059 0.000 2.002 196 K HA -0.025 4.295 4.320 0.001 0.000 0.209 196 K C 1.887 178.452 176.600 -0.059 0.000 1.048 196 K CA 1.855 58.111 56.287 -0.051 0.000 0.930 196 K CB -0.410 32.066 32.500 -0.039 0.000 0.714 196 K HN 0.238 nan 8.250 nan 0.000 0.438 197 I N 0.476 121.009 120.570 -0.061 0.000 2.226 197 I HA -0.251 3.920 4.170 0.001 0.000 0.245 197 I C 2.302 178.354 176.117 -0.109 0.000 1.100 197 I CA 1.204 62.459 61.300 -0.075 0.000 1.374 197 I CB -0.425 37.537 38.000 -0.064 0.000 1.057 197 I HN 0.268 nan 8.210 nan 0.000 0.413 198 A N 0.846 123.603 122.820 -0.105 0.000 1.908 198 A HA -0.231 4.089 4.320 0.001 0.000 0.218 198 A C 2.343 179.853 177.584 -0.124 0.000 1.181 198 A CA 1.663 53.625 52.037 -0.124 0.000 0.627 198 A CB -0.468 18.476 19.000 -0.092 0.000 0.818 198 A HN 0.308 nan 8.150 nan 0.000 0.445 199 K N -0.582 119.762 120.400 -0.093 0.000 2.097 199 K HA -0.072 4.248 4.320 0.001 0.000 0.206 199 K C 1.866 178.415 176.600 -0.085 0.000 1.049 199 K CA 1.473 57.712 56.287 -0.080 0.000 0.933 199 K CB -0.383 32.080 32.500 -0.062 0.000 0.717 199 K HN 0.568 nan 8.250 nan 0.000 0.442 200 I N 1.142 121.658 120.570 -0.089 0.000 2.252 200 I HA -0.268 3.902 4.170 0.001 0.000 0.245 200 I C 2.127 178.174 176.117 -0.117 0.000 1.102 200 I CA 1.188 62.437 61.300 -0.084 0.000 1.385 200 I CB -0.179 37.778 38.000 -0.071 0.000 1.064 200 I HN 0.102 nan 8.210 nan 0.000 0.414 201 L N 0.285 121.393 121.223 -0.192 0.000 2.376 201 L HA -0.059 4.282 4.340 0.001 0.000 0.219 201 L C 0.531 177.234 176.870 -0.278 0.000 1.133 201 L CA 0.491 55.131 54.840 -0.335 0.000 0.816 201 L CB -0.322 41.371 42.059 -0.610 0.000 0.933 201 L HN 0.224 nan 8.230 nan 0.000 0.449 202 K N -0.201 120.093 120.400 -0.177 0.000 3.162 202 K HA -0.142 4.179 4.320 0.001 0.000 0.268 202 K C -0.676 175.847 176.600 -0.128 0.000 1.062 202 K CA 0.075 56.292 56.287 -0.117 0.000 0.769 202 K CB -1.564 30.893 32.500 -0.072 0.000 1.274 202 K HN 0.127 nan 8.250 nan 0.000 0.478 203 V N 0.216 120.035 119.914 -0.159 0.000 3.078 203 V HA 0.574 4.695 4.120 0.001 0.000 0.311 203 V C -1.857 174.189 176.094 -0.079 0.000 1.138 203 V CA -1.843 60.376 62.300 -0.134 0.000 1.007 203 V CB 2.195 33.873 31.823 -0.241 0.000 1.045 203 V HN 0.149 nan 8.190 nan 0.000 0.432 208 H N 4.078 123.004 119.070 -0.241 0.000 2.548 208 H HA 0.827 5.383 4.556 0.001 0.000 0.331 208 H C -0.487 174.763 175.328 -0.130 0.000 1.093 208 H CA -0.522 55.409 56.048 -0.196 0.000 1.367 208 H CB 1.976 31.689 29.762 -0.081 0.000 1.455 208 H HN 0.792 nan 8.280 nan 0.000 0.519 209 V N 2.941 122.743 119.914 -0.186 0.000 2.680 209 V HA 0.899 5.019 4.120 0.001 0.000 0.309 209 V C 0.057 175.964 176.094 -0.312 0.000 1.052 209 V CA 0.246 62.391 62.300 -0.258 0.000 0.908 209 V CB 1.204 32.644 31.823 -0.637 0.000 1.001 209 V HN 1.081 nan 8.190 nan 0.000 0.431 210 G N 3.125 111.822 108.800 -0.171 0.000 2.894 210 G HA2 0.496 4.457 3.960 0.001 0.000 0.164 210 G HA3 0.496 4.457 3.960 0.001 0.000 0.164 210 G C -0.983 173.875 174.900 -0.071 0.000 1.180 210 G CA -0.554 44.447 45.100 -0.164 0.000 0.997 210 G HN 0.832 nan 8.290 nan 0.000 0.572 211 E N 2.666 122.798 120.200 -0.113 0.000 2.905 211 E HA 0.113 4.463 4.350 0.001 0.000 0.240 211 E C -1.414 175.211 176.600 0.042 0.000 0.990 211 E CA -0.415 55.931 56.400 -0.090 0.000 0.954 211 E CB 0.237 29.668 29.700 -0.447 0.000 0.908 211 E HN 0.157 nan 8.360 nan 0.000 0.532 212 P HA -0.272 nan 4.420 nan 0.000 0.221 212 P C -1.610 175.762 177.300 0.120 0.000 0.967 212 P CA 1.621 64.789 63.100 0.114 0.000 1.038 212 P CB -1.678 30.088 31.700 0.110 0.000 0.731 213 P HA 0.095 nan 4.420 nan 0.000 0.212 213 P C -0.083 177.277 177.300 0.100 0.000 0.974 213 P CA 2.339 65.520 63.100 0.136 0.000 1.226 213 P CB -1.233 30.573 31.700 0.176 0.000 1.258 214 A N 2.298 125.150 122.820 0.053 0.000 4.917 214 A HA -0.074 4.247 4.320 0.001 0.000 0.151 214 A C 0.006 177.605 177.584 0.025 0.000 1.184 214 A CA -0.752 51.289 52.037 0.006 0.000 1.123 214 A CB -1.917 17.075 19.000 -0.014 0.000 0.701 214 A HN 0.304 nan 8.150 nan 0.000 0.536 215 L N 0.500 121.750 121.223 0.045 0.000 2.573 215 L HA -0.070 4.270 4.340 0.001 0.000 0.290 215 L C 1.851 178.790 176.870 0.115 0.000 1.247 215 L CA 0.331 55.218 54.840 0.079 0.000 0.876 215 L CB 0.191 42.292 42.059 0.070 0.000 1.123 215 L HN 0.694 nan 8.230 nan 0.000 0.505 216 Y N 2.016 122.316 120.300 0.000 0.000 2.151 216 Y HA -0.290 4.261 4.550 0.001 0.000 0.284 216 Y C 1.931 177.823 175.900 -0.015 0.000 1.166 216 Y CA 2.143 60.239 58.100 -0.007 0.000 1.163 216 Y CB -0.179 38.281 38.460 -0.000 0.000 0.974 216 Y HN 0.732 nan 8.280 nan 0.000 0.511 217 D N -0.485 120.039 120.400 0.207 0.000 2.117 217 D HA -0.163 4.477 4.640 0.001 0.000 0.197 217 D C 2.018 178.360 176.300 0.069 0.000 0.987 217 D CA 1.767 55.819 54.000 0.086 0.000 0.829 217 D CB -0.268 40.552 40.800 0.033 0.000 0.961 217 D HN 0.488 nan 8.370 nan 0.000 0.460 218 E N 0.151 120.387 120.200 0.060 0.000 2.072 218 E HA -0.110 4.240 4.350 0.001 0.000 0.191 218 E C 2.192 178.799 176.600 0.012 0.000 0.985 218 E CA 0.606 57.020 56.400 0.023 0.000 0.801 218 E CB 0.102 29.808 29.700 0.010 0.000 0.750 218 E HN 0.110 nan 8.360 nan 0.000 0.452 219 V N 1.198 121.126 119.914 0.023 0.000 2.295 219 V HA -0.247 3.873 4.120 0.001 0.000 0.246 219 V C 2.224 178.318 176.094 0.001 0.000 1.049 219 V CA 1.243 63.537 62.300 -0.010 0.000 1.024 219 V CB -0.395 31.404 31.823 -0.040 0.000 0.648 219 V HN 0.218 nan 8.190 nan 0.000 0.447 220 L N 0.066 121.323 121.223 0.056 0.000 2.127 220 L HA -0.154 4.187 4.340 0.001 0.000 0.211 220 L C 2.555 179.425 176.870 0.000 0.000 1.089 220 L CA 1.670 56.534 54.840 0.039 0.000 0.757 220 L CB -1.086 41.018 42.059 0.075 0.000 0.899 220 L HN 0.389 nan 8.230 nan 0.000 0.434 221 E N -0.805 119.395 120.200 0.001 0.000 2.028 221 E HA -0.213 4.137 4.350 0.001 0.000 0.191 221 E C 2.238 178.824 176.600 -0.024 0.000 0.988 221 E CA 1.356 57.749 56.400 -0.013 0.000 0.799 221 E CB -0.411 29.284 29.700 -0.009 0.000 0.755 221 E HN 0.473 nan 8.360 nan 0.000 0.447 222 I N 0.787 121.339 120.570 -0.030 0.000 2.676 222 I HA -0.101 4.069 4.170 0.001 0.000 0.259 222 I C 0.739 176.827 176.117 -0.049 0.000 1.194 222 I CA 0.415 61.690 61.300 -0.042 0.000 1.473 222 I CB 0.047 38.016 38.000 -0.052 0.000 1.096 222 I HN -0.135 nan 8.210 nan 0.000 0.443 223 L N 0.575 121.768 121.223 -0.050 0.000 2.475 223 L HA 0.544 4.884 4.340 0.001 0.000 0.250 223 L C 0.835 177.670 176.870 -0.057 0.000 1.224 223 L CA 0.764 55.568 54.840 -0.060 0.000 0.821 223 L CB 0.164 42.183 42.059 -0.066 0.000 1.141 223 L HN 0.283 nan 8.230 nan 0.000 0.494 224 G N -1.020 107.740 108.800 -0.066 0.000 2.663 224 G HA2 0.540 4.500 3.960 0.001 0.000 0.299 224 G HA3 0.540 4.500 3.960 0.001 0.000 0.299 224 G C -3.038 171.815 174.900 -0.078 0.000 1.372 224 G CA -1.097 43.965 45.100 -0.064 0.000 0.781 224 G HN 0.329 nan 8.290 nan 0.000 0.491 225 P HA 0.185 nan 4.420 nan 0.000 0.259 225 P C 1.072 178.312 177.300 -0.100 0.000 1.163 225 P CA 2.346 65.392 63.100 -0.089 0.000 0.760 225 P CB 0.740 32.400 31.700 -0.067 0.000 0.762 226 G N 2.341 111.056 108.800 -0.141 0.000 2.299 226 G HA2 -0.224 3.737 3.960 0.001 0.000 0.237 226 G HA3 -0.224 3.737 3.960 0.001 0.000 0.237 226 G C 0.221 175.042 174.900 -0.132 0.000 1.027 226 G CA -0.085 44.931 45.100 -0.141 0.000 0.619 226 G HN 0.501 nan 8.290 nan 0.000 0.513 227 D N 0.249 120.578 120.400 -0.118 0.000 2.378 227 D HA 0.486 5.126 4.640 0.001 0.000 0.238 227 D C 0.520 176.734 176.300 -0.143 0.000 1.180 227 D CA 0.421 54.357 54.000 -0.107 0.000 0.895 227 D CB 1.505 42.245 40.800 -0.099 0.000 1.192 227 D HN 0.368 nan 8.370 nan 0.000 0.438 228 V N 1.133 120.962 119.914 -0.142 0.000 2.656 228 V HA 0.358 4.478 4.120 0.001 0.000 0.307 228 V C -0.181 175.798 176.094 -0.192 0.000 1.051 228 V CA -0.880 61.319 62.300 -0.168 0.000 0.893 228 V CB 2.213 33.944 31.823 -0.154 0.000 0.999 228 V HN 0.210 nan 8.190 nan 0.000 0.426 229 V N 3.098 122.905 119.914 -0.178 0.000 2.334 229 V HA 0.422 4.542 4.120 0.001 0.000 0.281 229 V C 0.310 176.271 176.094 -0.222 0.000 1.016 229 V CA -0.164 62.015 62.300 -0.201 0.000 0.832 229 V CB 1.720 33.450 31.823 -0.154 0.000 0.999 229 V HN 0.976 nan 8.190 nan 0.000 0.439 230 T N 3.815 118.200 114.554 -0.282 0.000 2.909 230 T HA 0.458 4.808 4.350 0.001 0.000 0.286 230 T C 0.409 174.891 174.700 -0.363 0.000 1.002 230 T CA 0.108 62.018 62.100 -0.316 0.000 1.074 230 T CB 0.100 68.773 68.868 -0.325 0.000 0.984 230 T HN 0.911 nan 8.240 nan 0.000 0.495 231 H N 0.653 119.647 119.070 -0.127 0.000 3.071 231 H HA -0.169 4.387 4.556 0.001 0.000 0.243 231 H C 1.835 177.090 175.328 -0.122 0.000 1.221 231 H CA 0.547 56.510 56.048 -0.142 0.000 1.109 231 H CB -2.568 27.061 29.762 -0.222 0.000 1.236 231 H HN 0.808 nan 8.280 nan 0.000 0.332 232 C N -0.967 118.285 119.300 -0.081 0.000 2.396 232 C HA -0.166 4.294 4.460 0.001 0.000 0.277 232 C C 1.869 176.918 174.990 0.099 0.000 1.231 232 C CA 1.035 59.988 59.018 -0.108 0.000 1.775 232 C CB -1.356 26.099 27.740 -0.475 0.000 2.036 232 C HN 0.318 nan 8.230 nan 0.000 0.484 233 F N 3.623 123.651 119.950 0.130 0.000 2.923 233 F HA 0.335 4.862 4.527 0.001 0.000 0.314 233 F C 0.843 176.608 175.800 -0.059 0.000 1.196 233 F CA -1.883 56.150 58.000 0.056 0.000 1.320 233 F CB -1.153 37.882 39.000 0.057 0.000 0.953 233 F HN 0.459 nan 8.300 nan 0.000 0.505 234 N N -0.056 118.733 118.700 0.148 0.000 2.482 234 N HA 0.145 4.886 4.740 0.001 0.000 0.260 234 N C 0.801 176.300 175.510 -0.018 0.000 1.236 234 N CA 0.335 53.380 53.050 -0.008 0.000 0.938 234 N CB 1.775 40.236 38.487 -0.044 0.000 1.128 234 N HN 0.274 nan 8.380 nan 0.000 0.448 235 G N 1.161 109.904 108.800 -0.096 0.000 4.291 235 G HA2 0.090 4.051 3.960 0.001 0.000 0.304 235 G HA3 0.090 4.051 3.960 0.001 0.000 0.304 235 G C -0.154 174.713 174.900 -0.055 0.000 1.264 235 G CA -0.443 44.608 45.100 -0.081 0.000 1.039 235 G HN 0.398 nan 8.290 nan 0.000 0.578 236 K N 0.594 120.974 120.400 -0.035 0.000 2.138 236 K HA 0.410 4.731 4.320 0.001 0.000 0.263 236 K C 0.139 176.740 176.600 0.002 0.000 0.965 236 K CA -0.563 55.709 56.287 -0.026 0.000 0.868 236 K CB 1.847 34.320 32.500 -0.044 0.000 1.083 236 K HN 0.059 nan 8.250 nan 0.000 0.443 237 S N 0.587 116.290 115.700 0.004 0.000 2.546 237 S HA 0.225 4.696 4.470 0.001 0.000 0.290 237 S C 1.222 175.841 174.600 0.032 0.000 1.262 237 S CA 1.023 59.232 58.200 0.016 0.000 1.083 237 S CB -0.036 63.173 63.200 0.015 0.000 0.859 237 S HN 0.841 nan 8.310 nan 0.000 0.495 238 G N 2.167 110.992 108.800 0.041 0.000 2.176 238 G HA2 -0.273 3.687 3.960 0.001 0.000 0.232 238 G HA3 -0.273 3.687 3.960 0.001 0.000 0.232 238 G C 0.505 175.459 174.900 0.090 0.000 0.986 238 G CA 0.384 45.519 45.100 0.059 0.000 0.643 238 G HN 1.122 nan 8.290 nan 0.000 0.522 239 S N -1.466 114.295 115.700 0.102 0.000 2.661 239 S HA 0.537 5.008 4.470 0.001 0.000 0.275 239 S C 0.572 175.325 174.600 0.255 0.000 1.075 239 S CA 1.054 59.381 58.200 0.211 0.000 1.251 239 S CB 0.542 63.816 63.200 0.125 0.000 1.167 239 S HN 1.442 nan 8.310 nan 0.000 0.648 240 S N 3.059 118.828 115.700 0.114 0.000 2.531 240 S HA 0.489 4.959 4.470 0.001 0.000 0.279 240 S C 0.536 175.152 174.600 0.027 0.000 1.305 240 S CA -0.928 57.322 58.200 0.083 0.000 1.058 240 S CB -0.393 62.824 63.200 0.029 0.000 0.899 240 S HN 0.477 nan 8.310 nan 0.000 0.493 244 D N 1.173 121.568 120.400 -0.008 0.000 2.421 244 D HA 0.126 4.767 4.640 0.001 0.000 0.254 244 D C 0.507 176.820 176.300 0.021 0.000 1.238 244 D CA -0.243 53.755 54.000 -0.003 0.000 0.919 244 D CB 1.402 42.195 40.800 -0.012 0.000 1.152 244 D HN -0.003 nan 8.370 nan 0.000 0.552 245 E N 1.829 122.037 120.200 0.014 0.000 2.209 245 E HA -0.152 4.199 4.350 0.001 0.000 0.196 245 E C 0.646 177.292 176.600 0.078 0.000 0.993 245 E CA 0.968 57.394 56.400 0.043 0.000 0.819 245 E CB 0.425 30.124 29.700 -0.001 0.000 0.745 245 E HN 0.563 nan 8.360 nan 0.000 0.477 246 D N 0.737 121.158 120.400 0.034 0.000 2.117 246 D HA -0.115 4.526 4.640 0.001 0.000 0.198 246 D C 2.053 178.355 176.300 0.004 0.000 0.982 246 D CA 0.324 54.336 54.000 0.020 0.000 0.828 246 D CB -0.295 40.507 40.800 0.004 0.000 0.967 246 D HN 0.146 nan 8.370 nan 0.000 0.464 247 L N -0.157 121.055 121.223 -0.017 0.000 2.017 247 L HA -0.163 4.177 4.340 0.001 0.000 0.208 247 L C 2.298 179.109 176.870 -0.098 0.000 1.073 247 L CA 1.165 55.946 54.840 -0.099 0.000 0.745 247 L CB -0.345 41.616 42.059 -0.165 0.000 0.894 247 L HN -0.035 nan 8.230 nan 0.000 0.432 248 F N 1.440 121.316 119.950 -0.124 0.000 2.126 248 F HA -0.285 4.243 4.527 0.001 0.000 0.299 248 F C 2.370 178.136 175.800 -0.056 0.000 1.096 248 F CA 1.946 59.893 58.000 -0.088 0.000 1.255 248 F CB -0.288 38.673 39.000 -0.065 0.000 0.997 248 F HN 0.230 nan 8.300 nan 0.000 0.479 249 N N 0.533 119.298 118.700 0.108 0.000 2.223 249 N HA -0.166 4.574 4.740 0.001 0.000 0.185 249 N C 1.870 177.337 175.510 -0.071 0.000 1.016 249 N CA 1.346 54.420 53.050 0.041 0.000 0.863 249 N CB -0.641 37.894 38.487 0.081 0.000 0.983 249 N HN 0.336 nan 8.380 nan 0.000 0.429 250 L N 1.139 122.312 121.223 -0.083 0.000 2.072 250 L HA 0.105 4.446 4.340 0.001 0.000 0.205 250 L C 2.144 178.937 176.870 -0.128 0.000 1.079 250 L CA 1.222 56.010 54.840 -0.087 0.000 0.752 250 L CB -0.912 41.106 42.059 -0.068 0.000 0.906 250 L HN 0.084 nan 8.230 nan 0.000 0.436 251 A N -0.708 121.989 122.820 -0.205 0.000 1.902 251 A HA -0.278 4.042 4.320 0.001 0.000 0.217 251 A C 2.334 179.788 177.584 -0.218 0.000 1.181 251 A CA 1.865 53.778 52.037 -0.207 0.000 0.623 251 A CB -0.752 18.080 19.000 -0.281 0.000 0.818 251 A HN 0.616 nan 8.150 nan 0.000 0.443 252 E N -0.510 119.489 120.200 -0.336 0.000 2.106 252 E HA -0.217 4.134 4.350 0.001 0.000 0.192 252 E C 2.269 178.797 176.600 -0.120 0.000 0.984 252 E CA 1.075 57.319 56.400 -0.259 0.000 0.806 252 E CB -0.131 29.375 29.700 -0.323 0.000 0.750 252 E HN 0.607 nan 8.360 nan 0.000 0.458 253 R N 0.192 120.631 120.500 -0.101 0.000 2.057 253 R HA -0.029 4.312 4.340 0.001 0.000 0.229 253 R C 1.033 177.301 176.300 -0.054 0.000 1.136 253 R CA 0.965 57.031 56.100 -0.057 0.000 0.952 253 R CB -0.374 29.900 30.300 -0.045 0.000 0.848 253 R HN 0.217 nan 8.270 nan 0.000 0.430 258 G N 0.628 109.381 108.800 -0.079 0.000 2.796 258 G HA2 -0.177 3.783 3.960 0.001 0.000 0.198 258 G HA3 -0.177 3.783 3.960 0.001 0.000 0.198 258 G C -0.064 174.734 174.900 -0.170 0.000 1.062 258 G CA -0.305 44.729 45.100 -0.111 0.000 0.752 258 G HN 0.187 nan 8.290 nan 0.000 0.487 259 I N 3.768 124.252 120.570 -0.143 0.000 2.517 259 I HA 0.362 4.533 4.170 0.001 0.000 0.285 259 I C 0.609 176.592 176.117 -0.223 0.000 1.106 259 I CA -0.523 60.680 61.300 -0.162 0.000 1.402 259 I CB 0.712 38.649 38.000 -0.105 0.000 1.399 259 I HN 0.085 nan 8.210 nan 0.000 0.535 260 R N 7.346 127.655 120.500 -0.319 0.000 2.298 260 R HA 0.398 4.738 4.340 0.001 0.000 0.310 260 R C -0.660 175.535 176.300 -0.175 0.000 1.068 260 R CA -0.498 55.355 56.100 -0.413 0.000 0.957 260 R CB 0.085 29.996 30.300 -0.649 0.000 1.003 260 R HN 0.531 nan 8.270 nan 0.000 0.454 261 L N 2.532 123.713 121.223 -0.071 0.000 2.275 261 L HA 0.293 4.633 4.340 0.001 0.000 0.288 261 L C 0.112 176.931 176.870 -0.084 0.000 1.046 261 L CA -0.603 54.173 54.840 -0.106 0.000 0.805 261 L CB 1.169 43.135 42.059 -0.155 0.000 1.193 261 L HN 0.480 nan 8.230 nan 0.000 0.426 262 D N 1.996 122.313 120.400 -0.138 0.000 2.375 262 D HA 0.301 4.941 4.640 0.001 0.000 0.247 262 D C 0.631 176.833 176.300 -0.163 0.000 1.061 262 D CA -0.552 53.383 54.000 -0.109 0.000 0.834 262 D CB 1.787 42.548 40.800 -0.066 0.000 1.247 262 D HN 0.273 nan 8.370 nan 0.000 0.489 263 I N 3.023 123.504 120.570 -0.147 0.000 2.142 263 I HA 0.076 4.246 4.170 0.001 0.000 0.240 263 I C 1.855 177.955 176.117 -0.029 0.000 1.078 263 I CA 1.610 62.851 61.300 -0.098 0.000 1.343 263 I CB -0.696 37.235 38.000 -0.115 0.000 1.046 263 I HN 0.875 nan 8.210 nan 0.000 0.405 264 G N 0.667 109.422 108.800 -0.074 0.000 2.395 264 G HA2 -0.366 3.594 3.960 0.001 0.000 0.300 264 G HA3 -0.366 3.594 3.960 0.001 0.000 0.300 264 G C 0.403 175.293 174.900 -0.016 0.000 0.998 264 G CA 0.746 45.760 45.100 -0.143 0.000 1.046 264 G HN 0.707 nan 8.290 nan 0.000 0.513 265 H N -0.533 118.429 119.070 -0.180 0.000 3.070 265 H HA 0.387 4.943 4.556 0.001 0.000 0.313 265 H C 1.218 176.425 175.328 -0.200 0.000 0.997 265 H CA 0.596 56.536 56.048 -0.180 0.000 1.438 265 H CB 0.400 29.939 29.762 -0.373 0.000 1.455 265 H HN 0.442 nan 8.280 nan 0.000 0.575 266 G N 2.596 111.482 108.800 0.143 0.000 5.233 266 G HA2 0.377 4.337 3.960 0.001 0.000 0.203 266 G HA3 0.377 4.337 3.960 0.001 0.000 0.203 266 G C 0.697 175.610 174.900 0.020 0.000 0.734 266 G CA 0.091 45.204 45.100 0.023 0.000 0.662 266 G HN 1.096 nan 8.290 nan 0.000 0.468 267 G N -0.205 108.620 108.800 0.042 0.000 2.420 267 G HA2 0.041 4.001 3.960 0.001 0.000 0.221 267 G HA3 0.041 4.001 3.960 0.001 0.000 0.221 267 G C 1.149 176.045 174.900 -0.007 0.000 1.117 267 G CA 1.215 46.328 45.100 0.022 0.000 0.657 267 G HN 1.706 nan 8.290 nan 0.000 0.512 268 A N -0.519 122.261 122.820 -0.068 0.000 2.548 268 A HA 0.697 5.017 4.320 0.001 0.000 0.236 268 A C 1.602 179.056 177.584 -0.217 0.000 1.246 268 A CA 1.616 53.580 52.037 -0.122 0.000 0.993 268 A CB 0.291 19.225 19.000 -0.110 0.000 1.209 268 A HN 0.901 nan 8.150 nan 0.000 0.570 269 S N -0.510 115.021 115.700 -0.281 0.000 2.572 269 S HA 0.401 4.872 4.470 0.001 0.000 0.228 269 S C -0.541 173.964 174.600 -0.158 0.000 0.963 269 S CA -0.173 57.840 58.200 -0.311 0.000 0.939 269 S CB -0.317 62.506 63.200 -0.628 0.000 0.804 269 S HN 0.460 nan 8.310 nan 0.000 0.480 270 F N 1.842 121.503 119.950 -0.483 0.000 2.561 270 F HA 0.640 5.168 4.527 0.001 0.000 0.313 270 F C -0.627 174.883 175.800 -0.483 0.000 1.126 270 F CA -0.724 56.934 58.000 -0.569 0.000 0.918 270 F CB 1.731 40.034 39.000 -1.161 0.000 1.199 270 F HN -0.111 nan 8.300 nan 0.000 0.444 271 S N 5.297 120.271 115.700 -1.211 0.000 2.532 271 S HA 0.433 4.904 4.470 0.001 0.000 0.299 271 S C 0.456 174.397 174.600 -1.098 0.000 1.105 271 S CA -0.467 57.199 58.200 -0.891 0.000 1.018 271 S CB 0.590 63.540 63.200 -0.417 0.000 1.021 271 S HN 0.569 nan 8.310 nan 0.000 0.483 272 F N 3.585 123.174 119.950 -0.601 0.000 2.134 272 F HA 0.043 4.570 4.527 0.001 0.000 0.299 272 F C 2.308 177.942 175.800 -0.276 0.000 1.097 272 F CA 1.333 59.125 58.000 -0.346 0.000 1.264 272 F CB -0.204 38.735 39.000 -0.102 0.000 1.001 272 F HN 0.597 nan 8.300 nan 0.000 0.479 273 K N -0.060 120.323 120.400 -0.027 0.000 2.032 273 K HA -0.147 4.174 4.320 0.001 0.000 0.209 273 K C 2.086 178.597 176.600 -0.149 0.000 1.048 273 K CA 1.670 57.914 56.287 -0.072 0.000 0.927 273 K CB -0.853 31.611 32.500 -0.060 0.000 0.712 273 K HN 0.100 nan 8.250 nan 0.000 0.441 274 V N 1.617 121.402 119.914 -0.214 0.000 2.287 274 V HA -0.279 3.841 4.120 0.001 0.000 0.248 274 V C 2.440 178.306 176.094 -0.381 0.000 1.053 274 V CA 2.128 64.288 62.300 -0.234 0.000 1.027 274 V CB -0.749 30.965 31.823 -0.183 0.000 0.646 274 V HN 0.398 nan 8.190 nan 0.000 0.447 275 A N -0.947 121.600 122.820 -0.454 0.000 1.933 275 A HA -0.267 4.054 4.320 0.001 0.000 0.218 275 A C 2.266 179.684 177.584 -0.276 0.000 1.175 275 A CA 2.002 53.731 52.037 -0.513 0.000 0.628 275 A CB -0.488 18.442 19.000 -0.116 0.000 0.814 275 A HN 0.621 nan 8.150 nan 0.000 0.444 276 E N -0.270 119.849 120.200 -0.136 0.000 2.017 276 E HA -0.152 4.198 4.350 0.001 0.000 0.193 276 E C 2.303 178.843 176.600 -0.100 0.000 0.997 276 E CA 1.046 57.408 56.400 -0.064 0.000 0.804 276 E CB -0.257 29.424 29.700 -0.032 0.000 0.757 276 E HN 0.534 nan 8.360 nan 0.000 0.448 277 A N 1.196 123.936 122.820 -0.134 0.000 1.940 277 A HA -0.200 4.121 4.320 0.001 0.000 0.219 277 A C 2.341 179.848 177.584 -0.127 0.000 1.176 277 A CA 2.104 54.055 52.037 -0.143 0.000 0.631 277 A CB -0.756 18.139 19.000 -0.175 0.000 0.814 277 A HN 0.411 nan 8.150 nan 0.000 0.446 278 A N -0.083 122.640 122.820 -0.162 0.000 1.858 278 A HA -0.084 4.237 4.320 0.001 0.000 0.216 278 A C 2.118 179.709 177.584 0.011 0.000 1.190 278 A CA 1.576 53.584 52.037 -0.049 0.000 0.617 278 A CB -0.622 18.068 19.000 -0.517 0.000 0.827 278 A HN 0.497 nan 8.150 nan 0.000 0.443 279 I N -0.167 120.368 120.570 -0.058 0.000 2.394 279 I HA -0.236 3.934 4.170 0.001 0.000 0.251 279 I C 2.829 178.967 176.117 0.035 0.000 1.136 279 I CA 0.919 62.234 61.300 0.025 0.000 1.425 279 I CB -0.242 37.778 38.000 0.034 0.000 1.079 279 I HN 0.347 nan 8.210 nan 0.000 0.425 280 A N 0.560 123.383 122.820 0.006 0.000 2.015 280 A HA -0.103 4.218 4.320 0.001 0.000 0.219 280 A C 2.156 179.751 177.584 0.018 0.000 1.163 280 A CA 1.129 53.169 52.037 0.005 0.000 0.646 280 A CB -0.352 18.634 19.000 -0.024 0.000 0.806 280 A HN 0.326 nan 8.150 nan 0.000 0.448 281 R N -1.329 119.197 120.500 0.043 0.000 2.388 281 R HA 0.206 4.546 4.340 0.001 0.000 0.247 281 R C 1.152 177.533 176.300 0.135 0.000 0.931 281 R CA 0.561 56.712 56.100 0.086 0.000 1.082 281 R CB -0.037 30.332 30.300 0.115 0.000 1.135 281 R HN 0.662 nan 8.270 nan 0.000 0.525 282 G N 1.293 110.156 108.800 0.106 0.000 2.179 282 G HA2 -0.268 3.693 3.960 0.001 0.000 0.260 282 G HA3 -0.268 3.693 3.960 0.001 0.000 0.260 282 G C -0.129 174.842 174.900 0.119 0.000 0.977 282 G CA -0.116 45.045 45.100 0.101 0.000 0.641 282 G HN 0.261 nan 8.290 nan 0.000 0.533 283 L N 1.430 122.749 121.223 0.160 0.000 2.268 283 L HA 0.763 5.103 4.340 0.001 0.000 0.289 283 L C 0.048 177.062 176.870 0.241 0.000 1.064 283 L CA -0.892 54.048 54.840 0.168 0.000 0.824 283 L CB 0.594 42.736 42.059 0.139 0.000 1.202 283 L HN 0.092 nan 8.230 nan 0.000 0.433 284 L N 7.623 128.976 121.223 0.218 0.000 2.344 284 L HA 0.674 5.014 4.340 0.001 0.000 0.272 284 L C -1.934 175.091 176.870 0.258 0.000 1.035 284 L CA -1.547 53.440 54.840 0.245 0.000 0.807 284 L CB 1.049 43.188 42.059 0.134 0.000 1.237 284 L HN 0.513 nan 8.230 nan 0.000 0.442 285 P HA 0.082 nan 4.420 nan 0.000 0.278 285 P C 0.439 177.767 177.300 0.047 0.000 1.238 285 P CA -0.314 62.807 63.100 0.034 0.000 0.794 285 P CB 0.754 32.427 31.700 -0.044 0.000 0.955 286 F N 2.147 122.043 119.950 -0.090 0.000 2.186 286 F HA -0.077 4.451 4.527 0.001 0.000 0.299 286 F C 0.838 176.586 175.800 -0.088 0.000 1.090 286 F CA 1.294 59.251 58.000 -0.072 0.000 1.307 286 F CB 0.163 39.120 39.000 -0.071 0.000 1.019 286 F HN 0.392 nan 8.300 nan 0.000 0.489 287 S N -0.361 115.318 115.700 -0.034 0.000 2.564 287 S HA 0.590 5.061 4.470 0.001 0.000 0.274 287 S C -0.941 173.578 174.600 -0.135 0.000 1.124 287 S CA -0.904 57.213 58.200 -0.139 0.000 0.869 287 S CB 1.773 64.971 63.200 -0.003 0.000 1.105 287 S HN 0.073 nan 8.310 nan 0.000 0.472 288 I N 2.904 123.352 120.570 -0.203 0.000 2.339 288 I HA 0.550 4.721 4.170 0.001 0.000 0.290 288 I C 0.068 176.056 176.117 -0.216 0.000 0.994 288 I CA -0.312 60.851 61.300 -0.228 0.000 1.191 288 I CB 1.691 39.499 38.000 -0.320 0.000 1.343 288 I HN 0.925 nan 8.210 nan 0.000 0.458 289 S N 2.844 118.438 115.700 -0.176 0.000 2.627 289 S HA 0.642 5.113 4.470 0.001 0.000 0.283 289 S C -0.395 174.102 174.600 -0.172 0.000 1.127 289 S CA -0.711 57.405 58.200 -0.140 0.000 0.863 289 S CB 2.054 65.234 63.200 -0.034 0.000 1.121 289 S HN 0.612 nan 8.310 nan 0.000 0.479 290 T N -1.095 113.362 114.554 -0.162 0.000 2.821 290 T HA 0.378 4.729 4.350 0.001 0.000 0.307 290 T C -0.521 174.061 174.700 -0.196 0.000 1.034 290 T CA -0.482 61.498 62.100 -0.199 0.000 0.953 290 T CB 0.516 69.265 68.868 -0.198 0.000 0.968 290 T HN 0.627 nan 8.240 nan 0.000 0.462 291 D N 3.750 123.980 120.400 -0.282 0.000 2.736 291 D HA 0.052 4.693 4.640 0.001 0.000 0.228 291 D C -0.062 176.196 176.300 -0.071 0.000 1.077 291 D CA -0.489 53.314 54.000 -0.329 0.000 1.096 291 D CB -0.602 40.008 40.800 -0.315 0.000 1.138 291 D HN 0.399 nan 8.370 nan 0.000 0.461 292 L N 3.590 124.778 121.223 -0.059 0.000 2.410 292 L HA 0.268 4.608 4.340 0.001 0.000 0.273 292 L C -0.030 176.891 176.870 0.085 0.000 1.144 292 L CA 0.493 55.276 54.840 -0.096 0.000 0.863 292 L CB 0.166 42.182 42.059 -0.071 0.000 1.140 292 L HN 0.513 nan 8.230 nan 0.000 0.463 293 H N 0.605 119.745 119.070 0.117 0.000 2.905 293 H HA 0.454 5.011 4.556 0.001 0.000 0.280 293 H C 0.743 176.092 175.328 0.036 0.000 1.445 293 H CA -0.582 55.542 56.048 0.128 0.000 1.165 293 H CB 0.254 30.111 29.762 0.159 0.000 1.857 293 H HN 0.285 nan 8.280 nan 0.000 0.567 294 G N -1.149 107.799 108.800 0.246 0.000 2.564 294 G HA2 -0.205 3.756 3.960 0.001 0.000 0.216 294 G HA3 -0.205 3.756 3.960 0.001 0.000 0.216 294 G C 0.240 175.148 174.900 0.014 0.000 1.124 294 G CA 1.072 46.191 45.100 0.032 0.000 0.764 294 G HN 0.695 nan 8.290 nan 0.000 0.550 295 H N -0.984 118.348 119.070 0.437 0.000 3.058 295 H HA 0.229 4.786 4.556 0.001 0.000 0.266 295 H C 1.077 176.471 175.328 0.109 0.000 1.135 295 H CA 0.306 56.522 56.048 0.280 0.000 1.174 295 H CB 0.611 30.571 29.762 0.330 0.000 1.581 295 H HN 0.448 nan 8.280 nan 0.000 0.553 299 F N 2.213 122.297 119.950 0.223 0.000 2.324 299 F HA 0.554 5.082 4.527 0.001 0.000 0.260 299 F C -1.344 174.439 175.800 -0.029 0.000 1.073 299 F CA 0.575 58.699 58.000 0.206 0.000 1.073 299 F CB -1.284 37.800 39.000 0.140 0.000 1.114 299 F HN -0.118 nan 8.300 nan 0.000 0.588 300 P HA -0.151 nan 4.420 nan 0.000 0.202 300 P C -0.061 176.662 177.300 -0.962 0.000 1.121 300 P CA 1.576 64.029 63.100 -1.078 0.000 0.939 300 P CB -0.323 31.081 31.700 -0.494 0.000 0.761 301 V N 0.469 119.953 119.914 -0.716 0.000 2.488 301 V HA 0.002 4.122 4.120 0.001 0.000 0.277 301 V C 0.996 176.844 176.094 -0.410 0.000 1.046 301 V CA -0.036 61.835 62.300 -0.716 0.000 0.986 301 V CB 0.160 31.642 31.823 -0.568 0.000 0.989 301 V HN 0.238 nan 8.190 nan 0.000 0.475 302 W N 2.233 123.380 121.300 -0.255 0.000 2.644 302 W HA 0.198 4.858 4.660 0.001 0.000 0.279 302 W C 0.465 176.868 176.519 -0.194 0.000 1.164 302 W CA 0.722 57.979 57.345 -0.147 0.000 1.457 302 W CB -0.068 29.473 29.460 0.135 0.000 1.087 302 W HN 0.865 nan 8.180 nan 0.000 0.573 303 D N -3.202 117.258 120.400 0.100 0.000 2.725 303 D HA 0.104 4.744 4.640 0.001 0.000 0.292 303 D C 0.249 176.526 176.300 -0.039 0.000 1.288 303 D CA -0.686 53.338 54.000 0.039 0.000 0.784 303 D CB 0.804 41.701 40.800 0.161 0.000 1.308 303 D HN -0.204 nan 8.370 nan 0.000 0.429 304 L N 0.794 121.987 121.223 -0.050 0.000 2.042 304 L HA 0.022 4.363 4.340 0.001 0.000 0.210 304 L C 2.243 178.961 176.870 -0.253 0.000 1.076 304 L CA 2.783 57.519 54.840 -0.174 0.000 0.749 304 L CB -1.046 40.923 42.059 -0.150 0.000 0.893 304 L HN 0.690 nan 8.230 nan 0.000 0.432 305 A N -1.778 121.000 122.820 -0.070 0.000 1.883 305 A HA -0.240 4.081 4.320 0.001 0.000 0.217 305 A C 2.279 179.881 177.584 0.030 0.000 1.186 305 A CA 2.438 54.464 52.037 -0.019 0.000 0.624 305 A CB -1.228 17.960 19.000 0.315 0.000 0.822 305 A HN 0.507 nan 8.150 nan 0.000 0.444 306 T N -0.004 114.605 114.554 0.092 0.000 2.788 306 T HA -0.035 4.315 4.350 0.001 0.000 0.268 306 T C 1.217 175.883 174.700 -0.057 0.000 1.044 306 T CA 1.365 63.538 62.100 0.122 0.000 1.139 306 T CB -0.466 68.544 68.868 0.237 0.000 0.867 306 T HN 0.539 nan 8.240 nan 0.000 0.454 310 K N 1.591 122.087 120.400 0.161 0.000 2.103 310 K HA 0.175 4.496 4.320 0.001 0.000 0.204 310 K C 1.477 178.260 176.600 0.305 0.000 1.052 310 K CA 0.891 57.365 56.287 0.311 0.000 0.945 310 K CB -0.081 32.522 32.500 0.171 0.000 0.722 310 K HN 0.156 nan 8.250 nan 0.000 0.443 311 L N 0.777 122.077 121.223 0.128 0.000 2.056 311 L HA -0.105 4.236 4.340 0.001 0.000 0.207 311 L C 2.308 179.281 176.870 0.172 0.000 1.078 311 L CA 1.197 56.126 54.840 0.149 0.000 0.749 311 L CB -0.864 41.205 42.059 0.017 0.000 0.901 311 L HN 0.188 nan 8.230 nan 0.000 0.433 312 L N -0.008 121.328 121.223 0.188 0.000 2.131 312 L HA -0.179 4.162 4.340 0.001 0.000 0.210 312 L C 2.724 179.716 176.870 0.203 0.000 1.092 312 L CA 1.755 56.738 54.840 0.238 0.000 0.759 312 L CB -0.379 41.915 42.059 0.392 0.000 0.903 312 L HN 0.378 nan 8.230 nan 0.000 0.435 313 S N -1.347 114.479 115.700 0.209 0.000 2.453 313 S HA -0.048 4.422 4.470 0.001 0.000 0.231 313 S C 1.264 175.947 174.600 0.138 0.000 1.005 313 S CA 0.615 58.912 58.200 0.162 0.000 0.949 313 S CB -0.759 62.539 63.200 0.163 0.000 0.774 313 S HN 0.297 nan 8.310 nan 0.000 0.510 314 V N -0.829 119.196 119.914 0.184 0.000 3.110 314 V HA 0.421 4.541 4.120 0.001 0.000 0.368 314 V C -0.157 176.003 176.094 0.110 0.000 1.332 314 V CA -0.447 61.940 62.300 0.146 0.000 1.287 314 V CB -2.019 29.926 31.823 0.204 0.000 1.277 314 V HN 0.317 nan 8.190 nan 0.000 0.502 318 F N 2.469 122.476 119.950 0.096 0.000 2.045 318 F HA -0.270 4.257 4.527 0.001 0.000 0.297 318 F C 2.086 177.941 175.800 0.091 0.000 1.114 318 F CA 2.284 60.365 58.000 0.134 0.000 1.207 318 F CB 0.106 39.162 39.000 0.092 0.000 0.964 318 F HN 0.389 nan 8.300 nan 0.000 0.486 319 E N 0.285 120.556 120.200 0.118 0.000 2.219 319 E HA -0.234 4.116 4.350 0.001 0.000 0.198 319 E C 1.819 178.338 176.600 -0.136 0.000 0.998 319 E CA 1.339 57.719 56.400 -0.035 0.000 0.818 319 E CB -0.486 29.280 29.700 0.110 0.000 0.741 319 E HN 0.579 nan 8.360 nan 0.000 0.477 320 N N 0.009 118.653 118.700 -0.094 0.000 2.333 320 N HA -0.069 4.671 4.740 0.001 0.000 0.178 320 N C 1.992 177.378 175.510 -0.207 0.000 1.018 320 N CA 0.442 53.422 53.050 -0.118 0.000 0.882 320 N CB -0.067 38.392 38.487 -0.047 0.000 0.984 320 N HN 0.011 nan 8.380 nan 0.000 0.434 321 V N 1.005 120.772 119.914 -0.245 0.000 2.358 321 V HA -0.125 3.996 4.120 0.001 0.000 0.246 321 V C 2.428 178.202 176.094 -0.533 0.000 1.047 321 V CA 1.027 63.108 62.300 -0.365 0.000 1.035 321 V CB -0.407 31.203 31.823 -0.354 0.000 0.658 321 V HN 0.024 nan 8.190 nan 0.000 0.452 322 V N 0.281 119.859 119.914 -0.559 0.000 2.407 322 V HA -0.286 3.834 4.120 0.001 0.000 0.248 322 V C 2.445 178.315 176.094 -0.373 0.000 1.055 322 V CA 2.347 64.336 62.300 -0.518 0.000 1.049 322 V CB -0.584 30.992 31.823 -0.413 0.000 0.662 322 V HN 0.724 nan 8.190 nan 0.000 0.455 323 E N 0.805 120.819 120.200 -0.310 0.000 2.152 323 E HA -0.127 4.223 4.350 0.001 0.000 0.192 323 E C 1.827 178.230 176.600 -0.329 0.000 0.983 323 E CA 1.054 57.296 56.400 -0.264 0.000 0.818 323 E CB -0.180 29.393 29.700 -0.211 0.000 0.758 323 E HN 0.560 nan 8.360 nan 0.000 0.467 324 A N 0.654 123.256 122.820 -0.363 0.000 2.268 324 A HA 0.155 4.475 4.320 0.001 0.000 0.221 324 A C 1.212 178.573 177.584 -0.372 0.000 1.287 324 A CA 0.217 52.022 52.037 -0.386 0.000 0.902 324 A CB 0.371 19.177 19.000 -0.323 0.000 0.877 324 A HN 0.229 nan 8.150 nan 0.000 0.487 325 V N -1.314 118.371 119.914 -0.383 0.000 3.509 325 V HA 0.058 4.178 4.120 0.001 0.000 0.286 325 V C 1.205 177.148 176.094 -0.251 0.000 1.618 325 V CA 1.324 63.384 62.300 -0.400 0.000 1.088 325 V CB 0.511 31.907 31.823 -0.712 0.000 0.909 325 V HN 0.779 nan 8.190 nan 0.000 0.429 326 T N -3.048 111.384 114.554 -0.203 0.000 3.359 326 T HA 0.181 4.531 4.350 0.001 0.000 0.160 326 T C 1.636 176.273 174.700 -0.105 0.000 0.924 326 T CA 0.064 62.100 62.100 -0.107 0.000 0.951 326 T CB 0.029 68.843 68.868 -0.090 0.000 1.404 326 T HN 0.062 nan 8.240 nan 0.000 0.309 327 R N 1.919 122.343 120.500 -0.127 0.000 2.091 327 R HA 0.023 4.364 4.340 0.001 0.000 0.238 327 R C 2.197 178.432 176.300 -0.107 0.000 1.136 327 R CA 1.787 57.829 56.100 -0.097 0.000 0.959 327 R CB -0.914 29.330 30.300 -0.094 0.000 0.856 327 R HN 0.613 nan 8.270 nan 0.000 0.437 328 N N 0.318 118.867 118.700 -0.251 0.000 2.080 328 N HA -0.090 4.651 4.740 0.001 0.000 0.189 328 N C -1.177 174.306 175.510 -0.045 0.000 1.036 328 N CA 0.848 53.640 53.050 -0.430 0.000 0.846 328 N CB -0.602 37.147 38.487 -1.230 0.000 1.015 328 N HN 0.185 nan 8.380 nan 0.000 0.423 329 P HA -0.031 nan 4.420 nan 0.000 0.221 329 P C 0.759 178.110 177.300 0.085 0.000 1.150 329 P CA 1.138 64.288 63.100 0.083 0.000 0.800 329 P CB 0.150 31.854 31.700 0.005 0.000 0.787 330 A N 1.181 124.022 122.820 0.036 0.000 1.930 330 A HA -0.124 4.196 4.320 0.001 0.000 0.217 330 A C 2.456 180.073 177.584 0.056 0.000 1.175 330 A CA 2.033 54.090 52.037 0.033 0.000 0.627 330 A CB -1.455 17.550 19.000 0.010 0.000 0.815 330 A HN 0.367 nan 8.150 nan 0.000 0.443 331 S N -0.006 115.751 115.700 0.095 0.000 2.382 331 S HA -0.137 4.333 4.470 0.001 0.000 0.228 331 S C 1.713 176.371 174.600 0.096 0.000 1.027 331 S CA 1.415 59.680 58.200 0.109 0.000 0.991 331 S CB -1.013 62.297 63.200 0.182 0.000 0.823 331 S HN 0.260 nan 8.310 nan 0.000 0.469 332 V N 3.313 123.308 119.914 0.135 0.000 2.343 332 V HA -0.107 4.014 4.120 0.001 0.000 0.247 332 V C 2.275 178.389 176.094 0.032 0.000 1.051 332 V CA 1.872 64.228 62.300 0.092 0.000 1.036 332 V CB -0.986 30.933 31.823 0.160 0.000 0.654 332 V HN 0.778 nan 8.190 nan 0.000 0.451 333 I N -2.612 117.966 120.570 0.013 0.000 3.812 333 I HA 0.300 4.470 4.170 0.001 0.000 0.320 333 I C 0.943 177.041 176.117 -0.031 0.000 1.276 333 I CA -0.088 61.180 61.300 -0.053 0.000 1.164 333 I CB -0.421 37.533 38.000 -0.077 0.000 1.009 333 I HN 0.153 nan 8.210 nan 0.000 0.431 334 R N 0.882 121.381 120.500 -0.003 0.000 3.423 334 R HA -0.144 4.196 4.340 0.001 0.000 0.271 334 R C -0.443 175.857 176.300 -0.001 0.000 1.093 334 R CA 0.292 56.393 56.100 0.000 0.000 0.730 334 R CB -1.876 28.419 30.300 -0.008 0.000 1.190 334 R HN 0.420 nan 8.270 nan 0.000 0.437 335 L N 1.166 122.393 121.223 0.006 0.000 2.260 335 L HA 0.301 4.642 4.340 0.001 0.000 0.289 335 L C 0.460 177.338 176.870 0.013 0.000 1.057 335 L CA -0.237 54.606 54.840 0.005 0.000 0.811 335 L CB 1.103 43.165 42.059 0.006 0.000 1.184 335 L HN 0.122 nan 8.230 nan 0.000 0.429 339 N N 0.624 119.399 118.700 0.124 0.000 2.686 339 N HA -0.247 4.494 4.740 0.001 0.000 0.249 339 N C 0.734 176.334 175.510 0.150 0.000 1.082 339 N CA 0.895 54.016 53.050 0.118 0.000 0.725 339 N CB -0.576 37.957 38.487 0.077 0.000 1.009 339 N HN 0.297 nan 8.380 nan 0.000 0.545 340 R N -0.574 120.069 120.500 0.238 0.000 2.200 340 R HA -0.039 4.302 4.340 0.001 0.000 0.234 340 R C 1.334 177.817 176.300 0.305 0.000 1.127 340 R CA 0.679 56.956 56.100 0.295 0.000 0.989 340 R CB -0.151 30.407 30.300 0.430 0.000 0.869 340 R HN 0.285 nan 8.270 nan 0.000 0.459 341 L N 0.866 122.200 121.223 0.185 0.000 2.509 341 L HA 0.081 4.421 4.340 0.001 0.000 0.222 341 L C -0.115 176.782 176.870 0.045 0.000 1.123 341 L CA 0.374 55.236 54.840 0.036 0.000 0.856 341 L CB -0.757 41.156 42.059 -0.242 0.000 0.985 341 L HN -0.074 nan 8.230 nan 0.000 0.456 342 D N -1.011 119.426 120.400 0.063 0.000 2.406 342 D HA -0.008 4.633 4.640 0.001 0.000 0.234 342 D C 0.242 176.571 176.300 0.047 0.000 1.196 342 D CA 0.228 54.255 54.000 0.045 0.000 0.881 342 D CB 0.911 41.741 40.800 0.049 0.000 1.205 342 D HN -0.233 nan 8.370 nan 0.000 0.453 343 V N 1.297 121.230 119.914 0.031 0.000 2.686 343 V HA 0.415 4.535 4.120 0.001 0.000 0.295 343 V C 1.599 177.710 176.094 0.029 0.000 1.055 343 V CA 1.163 63.481 62.300 0.029 0.000 1.050 343 V CB 0.847 32.681 31.823 0.017 0.000 0.984 343 V HN 0.899 nan 8.190 nan 0.000 0.482 344 G N 2.916 111.733 108.800 0.028 0.000 2.268 344 G HA2 -0.207 3.754 3.960 0.001 0.000 0.240 344 G HA3 -0.207 3.754 3.960 0.001 0.000 0.240 344 G C 0.350 175.262 174.900 0.020 0.000 1.010 344 G CA -0.066 45.046 45.100 0.020 0.000 0.618 344 G HN 0.582 nan 8.290 nan 0.000 0.516 345 Q N 0.964 120.784 119.800 0.032 0.000 2.337 345 Q HA 0.195 4.535 4.340 0.001 0.000 0.270 345 Q C 0.860 176.862 176.000 0.003 0.000 1.002 345 Q CA -0.153 55.667 55.803 0.028 0.000 0.888 345 Q CB 0.701 29.474 28.738 0.059 0.000 1.222 345 Q HN 0.553 nan 8.270 nan 0.000 0.400 346 R N 1.357 121.842 120.500 -0.025 0.000 2.484 346 R HA 0.148 4.488 4.340 0.001 0.000 0.293 346 R C -0.548 175.661 176.300 -0.151 0.000 1.023 346 R CA -0.083 55.980 56.100 -0.063 0.000 1.037 346 R CB 0.394 30.658 30.300 -0.059 0.000 0.951 346 R HN 0.635 nan 8.270 nan 0.000 0.418 347 A N 4.076 126.776 122.820 -0.199 0.000 2.524 347 A HA 0.022 4.343 4.320 0.001 0.000 0.250 347 A C -0.205 177.023 177.584 -0.593 0.000 1.078 347 A CA 0.192 51.926 52.037 -0.504 0.000 0.761 347 A CB 0.246 19.090 19.000 -0.260 0.000 1.012 347 A HN 0.780 nan 8.150 nan 0.000 0.500 348 D N 2.662 122.477 120.400 -0.975 0.000 2.823 348 D HA 0.396 5.037 4.640 0.001 0.000 0.255 348 D C -0.995 175.044 176.300 -0.434 0.000 1.257 348 D CA -0.105 53.597 54.000 -0.497 0.000 0.803 348 D CB -0.199 40.458 40.800 -0.238 0.000 1.384 348 D HN 0.305 nan 8.370 nan 0.000 0.541 349 F N -0.104 119.895 119.950 0.080 0.000 2.611 349 F HA 0.671 5.199 4.527 0.001 0.000 0.374 349 F C 0.946 176.757 175.800 0.019 0.000 1.110 349 F CA -1.096 56.960 58.000 0.094 0.000 1.090 349 F CB 1.998 41.087 39.000 0.147 0.000 1.388 349 F HN -0.073 nan 8.300 nan 0.000 0.501 350 T N 0.775 115.471 114.554 0.238 0.000 3.335 350 T HA 0.449 4.800 4.350 0.001 0.000 0.321 350 T C -1.708 173.069 174.700 0.129 0.000 0.960 350 T CA -0.491 61.588 62.100 -0.036 0.000 1.034 350 T CB 0.477 69.007 68.868 -0.564 0.000 1.040 350 T HN 0.384 nan 8.240 nan 0.000 0.454 351 V N 7.599 127.615 119.914 0.170 0.000 2.432 351 V HA 0.763 4.883 4.120 0.001 0.000 0.275 351 V C -0.153 176.106 176.094 0.276 0.000 1.043 351 V CA -0.329 62.107 62.300 0.227 0.000 0.925 351 V CB -0.081 31.901 31.823 0.266 0.000 0.985 351 V HN 0.801 nan 8.190 nan 0.000 0.466 352 F N 1.795 121.844 119.950 0.164 0.000 2.645 352 F HA 0.769 5.297 4.527 0.001 0.000 0.310 352 F C -0.892 175.120 175.800 0.354 0.000 1.102 352 F CA -1.033 57.106 58.000 0.232 0.000 0.952 352 F CB 1.614 40.809 39.000 0.325 0.000 1.326 352 F HN 0.296 nan 8.300 nan 0.000 0.456 353 D N 1.497 122.146 120.400 0.415 0.000 2.340 353 D HA 0.419 5.060 4.640 0.001 0.000 0.243 353 D C -1.394 175.160 176.300 0.423 0.000 0.988 353 D CA -0.327 53.827 54.000 0.255 0.000 0.959 353 D CB 2.701 43.565 40.800 0.106 0.000 1.226 353 D HN 0.630 nan 8.370 nan 0.000 0.509 354 L N 2.773 124.158 121.223 0.270 0.000 2.417 354 L HA 0.280 4.620 4.340 0.001 0.000 0.259 354 L C -0.687 176.215 176.870 0.052 0.000 1.023 354 L CA -0.588 54.335 54.840 0.138 0.000 0.901 354 L CB 0.760 42.902 42.059 0.139 0.000 1.227 354 L HN 0.185 nan 8.230 nan 0.000 0.454 355 V N 0.751 120.699 119.914 0.057 0.000 2.834 355 V HA 0.584 4.704 4.120 0.001 0.000 0.313 355 V C 0.051 176.165 176.094 0.033 0.000 1.060 355 V CA -0.842 61.479 62.300 0.035 0.000 0.989 355 V CB 1.910 33.761 31.823 0.045 0.000 1.041 355 V HN 0.493 nan 8.190 nan 0.000 0.459 356 D N 2.016 122.429 120.400 0.022 0.000 2.350 356 D HA 0.694 5.334 4.640 0.001 0.000 0.249 356 D C 0.150 176.473 176.300 0.038 0.000 1.119 356 D CA 0.818 54.834 54.000 0.026 0.000 0.886 356 D CB 1.630 42.439 40.800 0.015 0.000 1.195 356 D HN 1.160 nan 8.370 nan 0.000 0.437 357 A N 1.492 124.340 122.820 0.048 0.000 2.515 357 A HA 0.527 4.848 4.320 0.001 0.000 0.299 357 A C -1.490 176.129 177.584 0.058 0.000 1.179 357 A CA -0.688 51.382 52.037 0.056 0.000 0.656 357 A CB 1.798 20.844 19.000 0.077 0.000 1.306 357 A HN 0.423 nan 8.150 nan 0.000 0.459 358 D N -0.379 120.058 120.400 0.063 0.000 2.586 358 D HA 0.469 5.110 4.640 0.001 0.000 0.254 358 D C -1.599 174.750 176.300 0.082 0.000 1.248 358 D CA 0.058 54.095 54.000 0.062 0.000 0.843 358 D CB 0.517 41.344 40.800 0.046 0.000 1.332 358 D HN 0.461 nan 8.370 nan 0.000 0.523 359 L N 1.215 122.505 121.223 0.112 0.000 2.346 359 L HA 0.597 4.937 4.340 0.001 0.000 0.274 359 L C -0.584 176.397 176.870 0.185 0.000 1.007 359 L CA -0.362 54.572 54.840 0.157 0.000 0.818 359 L CB 1.797 43.975 42.059 0.198 0.000 1.284 359 L HN 0.121 nan 8.230 nan 0.000 0.424 360 E N 3.604 123.935 120.200 0.218 0.000 2.156 360 E HA 0.656 5.006 4.350 0.001 0.000 0.279 360 E C -1.058 175.734 176.600 0.320 0.000 0.965 360 E CA -0.646 55.883 56.400 0.216 0.000 0.789 360 E CB 1.609 31.417 29.700 0.181 0.000 1.098 360 E HN 0.732 nan 8.360 nan 0.000 0.397 361 A N 2.599 125.561 122.820 0.236 0.000 2.380 361 A HA 0.648 4.968 4.320 0.001 0.000 0.315 361 A C -0.415 177.260 177.584 0.152 0.000 1.101 361 A CA -0.633 51.449 52.037 0.074 0.000 0.771 361 A CB 2.025 21.044 19.000 0.033 0.000 1.287 361 A HN 0.472 nan 8.150 nan 0.000 0.436 362 T N 0.267 114.804 114.554 -0.030 0.000 2.876 362 T HA 0.565 4.915 4.350 0.001 0.000 0.289 362 T C -0.462 174.204 174.700 -0.057 0.000 1.014 362 T CA -0.453 61.716 62.100 0.115 0.000 0.986 362 T CB 0.923 69.895 68.868 0.173 0.000 1.021 362 T HN 0.814 nan 8.240 nan 0.000 0.458 363 D N 2.432 122.850 120.400 0.030 0.000 2.440 363 D HA 0.261 4.902 4.640 0.001 0.000 0.269 363 D C 1.038 177.291 176.300 -0.079 0.000 1.249 363 D CA -0.595 53.335 54.000 -0.117 0.000 1.055 363 D CB -0.160 40.385 40.800 -0.425 0.000 1.104 363 D HN 0.399 nan 8.370 nan 0.000 0.561 364 S N -1.114 114.497 115.700 -0.149 0.000 2.603 364 S HA -0.019 4.452 4.470 0.001 0.000 0.229 364 S C 0.622 175.185 174.600 -0.062 0.000 0.972 364 S CA -0.002 58.136 58.200 -0.103 0.000 0.935 364 S CB -0.489 62.605 63.200 -0.177 0.000 0.769 364 S HN 0.386 nan 8.310 nan 0.000 0.536 365 N N 0.290 118.955 118.700 -0.058 0.000 2.204 365 N HA 0.204 4.945 4.740 0.001 0.000 0.219 365 N C 1.212 176.752 175.510 0.049 0.000 1.151 365 N CA 0.584 53.625 53.050 -0.016 0.000 0.867 365 N CB 0.873 39.330 38.487 -0.051 0.000 1.043 365 N HN 0.426 nan 8.380 nan 0.000 0.516 366 G N 0.480 109.340 108.800 0.101 0.000 2.257 366 G HA2 -0.267 3.693 3.960 0.001 0.000 0.267 366 G HA3 -0.267 3.693 3.960 0.001 0.000 0.267 366 G C 0.007 175.000 174.900 0.155 0.000 0.984 366 G CA 0.192 45.387 45.100 0.159 0.000 0.626 366 G HN 0.351 nan 8.290 nan 0.000 0.540 367 D N 0.673 121.159 120.400 0.143 0.000 2.458 367 D HA 0.359 5.000 4.640 0.001 0.000 0.243 367 D C 0.346 176.802 176.300 0.258 0.000 1.146 367 D CA 0.415 54.521 54.000 0.175 0.000 0.877 367 D CB 1.567 42.485 40.800 0.196 0.000 1.176 367 D HN 0.101 nan 8.370 nan 0.000 0.461 368 V N 2.372 122.386 119.914 0.166 0.000 2.435 368 V HA 0.316 4.437 4.120 0.001 0.000 0.290 368 V C 0.331 176.419 176.094 -0.008 0.000 1.030 368 V CA -0.320 62.071 62.300 0.152 0.000 0.881 368 V CB 1.798 33.699 31.823 0.131 0.000 0.983 368 V HN 0.477 nan 8.190 nan 0.000 0.445 369 S N 4.682 120.318 115.700 -0.107 0.000 2.548 369 S HA 0.689 5.159 4.470 0.001 0.000 0.286 369 S C -0.591 173.947 174.600 -0.104 0.000 1.098 369 S CA -0.980 57.021 58.200 -0.331 0.000 0.930 369 S CB 1.421 63.978 63.200 -1.071 0.000 1.070 369 S HN 0.834 nan 8.310 nan 0.000 0.480 370 R N 3.943 124.402 120.500 -0.069 0.000 2.272 370 R HA 0.502 4.842 4.340 0.001 0.000 0.323 370 R C -0.768 175.551 176.300 0.031 0.000 1.002 370 R CA -0.695 55.419 56.100 0.023 0.000 0.900 370 R CB 0.008 30.328 30.300 0.033 0.000 1.151 370 R HN 0.489 nan 8.270 nan 0.000 0.507 371 L N 3.404 124.678 121.223 0.084 0.000 2.499 371 L HA 0.086 4.427 4.340 0.001 0.000 0.273 371 L C 0.885 177.811 176.870 0.093 0.000 1.195 371 L CA -0.252 54.651 54.840 0.106 0.000 0.882 371 L CB 0.377 42.539 42.059 0.172 0.000 1.133 371 L HN 0.564 nan 8.230 nan 0.000 0.483 372 K N 2.996 123.442 120.400 0.076 0.000 2.379 372 K HA 0.209 4.529 4.320 0.001 0.000 0.194 372 K C 0.237 176.875 176.600 0.063 0.000 1.031 372 K CA 0.503 56.826 56.287 0.060 0.000 1.037 372 K CB 0.353 32.879 32.500 0.043 0.000 0.824 372 K HN 0.559 nan 8.250 nan 0.000 0.516 373 R N 0.113 120.662 120.500 0.081 0.000 2.621 373 R HA 0.515 4.855 4.340 0.001 0.000 0.284 373 R C -0.954 175.404 176.300 0.097 0.000 0.998 373 R CA -0.488 55.651 56.100 0.064 0.000 0.895 373 R CB 1.924 32.247 30.300 0.037 0.000 1.195 373 R HN -0.124 nan 8.270 nan 0.000 0.450 374 L N 3.249 124.524 121.223 0.087 0.000 2.381 374 L HA 0.500 4.841 4.340 0.001 0.000 0.274 374 L C -0.867 176.110 176.870 0.179 0.000 0.988 374 L CA -0.770 54.170 54.840 0.167 0.000 0.824 374 L CB 1.492 43.663 42.059 0.186 0.000 1.263 374 L HN 0.455 nan 8.230 nan 0.000 0.410 375 F N 1.843 121.949 119.950 0.259 0.000 2.504 375 F HA 0.175 4.702 4.527 0.001 0.000 0.369 375 F C 0.614 176.628 175.800 0.356 0.000 1.082 375 F CA 0.153 58.369 58.000 0.359 0.000 1.216 375 F CB 0.628 39.744 39.000 0.193 0.000 1.108 375 F HN 0.428 nan 8.300 nan 0.000 0.554 376 E N 5.792 126.326 120.200 0.557 0.000 2.325 376 E HA 0.291 4.642 4.350 0.001 0.000 0.248 376 E C -2.605 174.228 176.600 0.387 0.000 0.912 376 E CA -2.481 54.154 56.400 0.390 0.000 0.782 376 E CB 1.201 31.049 29.700 0.247 0.000 1.264 376 E HN 0.114 nan 8.360 nan 0.000 0.417 377 P HA 0.093 nan 4.420 nan 0.000 0.268 377 P C -0.210 177.119 177.300 0.049 0.000 1.205 377 P CA -0.147 63.030 63.100 0.128 0.000 0.771 377 P CB 1.875 33.559 31.700 -0.027 0.000 0.858 378 R N 1.949 122.455 120.500 0.009 0.000 2.144 378 R HA 0.291 4.632 4.340 0.001 0.000 0.195 378 R C -0.020 176.005 176.300 -0.459 0.000 1.077 378 R CA 1.139 57.127 56.100 -0.188 0.000 1.120 378 R CB -0.043 30.243 30.300 -0.023 0.000 1.060 378 R HN 0.507 nan 8.270 nan 0.000 0.520 379 Y N -1.197 119.114 120.300 0.017 0.000 2.504 379 Y HA 0.693 5.243 4.550 0.001 0.000 0.344 379 Y C -0.938 174.958 175.900 -0.005 0.000 1.023 379 Y CA -1.605 56.503 58.100 0.013 0.000 1.020 379 Y CB 2.193 40.673 38.460 0.033 0.000 1.282 379 Y HN 0.009 nan 8.280 nan 0.000 0.454 380 A N 2.282 125.196 122.820 0.157 0.000 2.291 380 A HA 0.758 5.078 4.320 0.001 0.000 0.311 380 A C -1.466 176.185 177.584 0.112 0.000 1.224 380 A CA -0.683 51.404 52.037 0.082 0.000 0.821 380 A CB 0.383 19.392 19.000 0.015 0.000 1.172 380 A HN 0.500 nan 8.150 nan 0.000 0.494 381 V N 4.519 124.502 119.914 0.115 0.000 2.313 381 V HA 0.342 4.463 4.120 0.001 0.000 0.278 381 V C -0.325 175.769 176.094 -0.001 0.000 1.017 381 V CA -0.057 62.295 62.300 0.087 0.000 0.823 381 V CB 0.686 32.605 31.823 0.161 0.000 1.010 381 V HN 0.733 nan 8.190 nan 0.000 0.443 382 I N 5.147 125.708 120.570 -0.015 0.000 2.337 382 I HA 0.641 4.811 4.170 0.001 0.000 0.285 382 I C 1.190 177.276 176.117 -0.052 0.000 1.041 382 I CA 0.151 61.419 61.300 -0.053 0.000 1.199 382 I CB 0.906 38.888 38.000 -0.029 0.000 1.370 382 I HN 0.843 nan 8.210 nan 0.000 0.470 383 G N 4.986 113.733 108.800 -0.088 0.000 2.556 383 G HA2 -0.352 3.609 3.960 0.001 0.000 0.283 383 G HA3 -0.352 3.609 3.960 0.001 0.000 0.283 383 G C 0.859 175.742 174.900 -0.029 0.000 1.177 383 G CA 0.378 45.441 45.100 -0.061 0.000 0.978 383 G HN 0.758 nan 8.290 nan 0.000 0.554 384 A N 0.150 122.962 122.820 -0.013 0.000 2.123 384 A HA 0.427 4.747 4.320 0.001 0.000 0.214 384 A C 1.175 178.764 177.584 0.007 0.000 1.152 384 A CA 1.773 53.810 52.037 0.001 0.000 0.728 384 A CB -0.164 18.836 19.000 0.000 0.000 0.814 384 A HN 0.699 nan 8.150 nan 0.000 0.464 385 E N 0.213 120.417 120.200 0.007 0.000 2.354 385 E HA 0.488 4.838 4.350 0.001 0.000 0.269 385 E C -0.662 175.959 176.600 0.035 0.000 1.036 385 E CA -0.196 56.215 56.400 0.018 0.000 0.876 385 E CB 0.777 30.486 29.700 0.014 0.000 1.009 385 E HN 0.273 nan 8.360 nan 0.000 0.416 386 A N 5.142 127.994 122.820 0.054 0.000 2.363 386 A HA 0.415 4.736 4.320 0.001 0.000 0.296 386 A C -1.064 176.608 177.584 0.145 0.000 1.237 386 A CA -0.650 51.444 52.037 0.095 0.000 0.773 386 A CB 0.266 19.297 19.000 0.052 0.000 1.153 386 A HN 0.480 nan 8.150 nan 0.000 0.473 387 I N 2.158 122.816 120.570 0.146 0.000 2.353 387 I HA 0.461 4.631 4.170 0.001 0.000 0.293 387 I C 0.948 177.137 176.117 0.119 0.000 0.992 387 I CA -0.032 61.336 61.300 0.114 0.000 1.268 387 I CB 1.789 39.825 38.000 0.059 0.000 1.387 387 I HN 0.670 nan 8.210 nan 0.000 0.478 388 A N 5.416 128.266 122.820 0.051 0.000 2.484 388 A HA 0.669 4.989 4.320 0.001 0.000 0.268 388 A C 0.340 177.856 177.584 -0.114 0.000 1.114 388 A CA -0.126 51.839 52.037 -0.120 0.000 0.780 388 A CB -0.367 18.576 19.000 -0.095 0.000 1.061 388 A HN 0.844 nan 8.150 nan 0.000 0.505 389 A N 2.454 125.167 122.820 -0.177 0.000 2.281 389 A HA 0.889 5.209 4.320 0.001 0.000 0.329 389 A C 0.223 177.757 177.584 -0.083 0.000 1.122 389 A CA 0.061 52.044 52.037 -0.089 0.000 0.850 389 A CB 1.202 20.159 19.000 -0.070 0.000 1.207 389 A HN 1.993 nan 8.150 nan 0.000 0.495 390 S N -0.157 115.535 115.700 -0.013 0.000 2.565 390 S HA 0.438 4.908 4.470 0.001 0.000 0.274 390 S C -0.861 173.778 174.600 0.065 0.000 1.144 390 S CA -0.753 57.453 58.200 0.010 0.000 0.849 390 S CB 0.889 64.075 63.200 -0.023 0.000 1.103 390 S HN 0.813 nan 8.310 nan 0.000 0.455 391 R N 1.291 121.841 120.500 0.083 0.000 2.694 391 R HA 0.180 4.520 4.340 0.001 0.000 0.268 391 R C -0.568 175.782 176.300 0.083 0.000 1.061 391 R CA -0.198 55.976 56.100 0.124 0.000 1.133 391 R CB 0.211 30.585 30.300 0.122 0.000 1.020 391 R HN 0.665 nan 8.270 nan 0.000 0.475 392 Y N 3.114 123.424 120.300 0.016 0.000 2.442 392 Y HA 0.083 4.633 4.550 0.001 0.000 0.330 392 Y C -0.383 175.425 175.900 -0.153 0.000 1.129 392 Y CA -0.183 57.901 58.100 -0.026 0.000 1.365 392 Y CB 0.524 39.010 38.460 0.042 0.000 1.233 392 Y HN 0.284 nan 8.280 nan 0.000 0.529 393 I N 9.354 129.394 120.570 -0.883 0.000 2.330 393 I HA 0.219 4.389 4.170 0.001 0.000 0.289 393 I C -2.314 173.139 176.117 -1.106 0.000 1.001 393 I CA -2.963 57.873 61.300 -0.773 0.000 1.193 393 I CB 1.047 38.789 38.000 -0.431 0.000 1.345 393 I HN 0.554 nan 8.210 nan 0.000 0.461 394 P HA 0.090 nan 4.420 nan 0.000 0.259 394 P C -0.108 177.089 177.300 -0.172 0.000 1.211 394 P CA -0.141 62.771 63.100 -0.313 0.000 0.810 394 P CB 0.145 31.800 31.700 -0.075 0.000 0.815 395 R N 2.808 123.254 120.500 -0.089 0.000 4.792 395 R HA 0.494 4.835 4.340 0.001 0.000 0.205 395 R C 0.422 176.756 176.300 0.056 0.000 1.875 395 R CA 0.021 56.106 56.100 -0.024 0.000 1.588 395 R CB -0.216 30.087 30.300 0.005 0.000 1.401 395 R HN 0.566 nan 8.270 nan 0.000 0.834 396 A N 0.000 122.856 122.820 0.061 0.000 2.254 396 A HA 0.000 4.320 4.320 0.001 0.000 0.244 396 A CA 0.000 52.090 52.037 0.088 0.000 0.836 396 A CB 0.000 19.083 19.000 0.138 0.000 0.831 396 A HN 0.000 nan 8.150 nan 0.000 0.486