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 2igk_1_A DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT 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 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.277 176.300 -0.038 0.000 1.140 43 M CA 0.000 55.321 55.300 0.036 0.000 0.988 43 M CB 0.000 32.477 32.600 -0.204 0.000 1.302 44 D N 1.965 122.368 120.400 0.005 0.000 2.352 44 D HA 0.252 4.892 4.640 -0.000 0.000 0.238 44 D C 1.141 177.372 176.300 -0.115 0.000 1.286 44 D CA 0.164 54.080 54.000 -0.139 0.000 0.923 44 D CB 0.779 41.341 40.800 -0.396 0.000 1.146 44 D HN 0.645 nan 8.370 nan 0.000 0.471 45 I N -3.021 117.470 120.570 -0.132 0.000 4.081 45 I HA 0.266 4.436 4.170 -0.000 0.000 0.333 45 I C 0.083 176.168 176.117 -0.053 0.000 1.413 45 I CA -0.426 60.860 61.300 -0.024 0.000 1.110 45 I CB -0.163 37.852 38.000 0.024 0.000 1.082 45 I HN -0.029 nan 8.210 nan 0.000 0.402 46 K N 0.893 121.110 120.400 -0.306 0.000 2.463 46 K HA 0.630 4.950 4.320 -0.000 0.000 0.255 46 K C -1.904 174.353 176.600 -0.572 0.000 0.942 46 K CA -0.503 55.628 56.287 -0.259 0.000 0.814 46 K CB 1.092 33.507 32.500 -0.142 0.000 1.122 46 K HN 0.125 nan 8.250 nan 0.000 0.425 47 Y N 1.139 121.430 120.300 -0.015 0.000 2.605 47 Y HA 0.260 4.810 4.550 -0.000 0.000 0.343 47 Y C 0.657 176.533 175.900 -0.039 0.000 1.036 47 Y CA -0.757 57.325 58.100 -0.030 0.000 1.065 47 Y CB 1.986 40.422 38.460 -0.039 0.000 1.288 47 Y HN 0.608 nan 8.280 nan 0.000 0.481 48 D N 0.103 120.589 120.400 0.143 0.000 2.123 48 D HA 0.023 4.662 4.640 -0.000 0.000 0.200 48 D C -0.312 175.984 176.300 -0.007 0.000 0.976 48 D CA 1.444 55.509 54.000 0.109 0.000 0.831 48 D CB 0.308 41.246 40.800 0.231 0.000 0.974 48 D HN 0.088 nan 8.370 nan 0.000 0.469 49 V N 0.969 120.868 119.914 -0.026 0.000 2.760 49 V HA 0.361 4.481 4.120 -0.000 0.000 0.309 49 V C -0.386 175.611 176.094 -0.161 0.000 1.077 49 V CA -1.030 61.160 62.300 -0.183 0.000 0.910 49 V CB 2.613 34.299 31.823 -0.229 0.000 1.008 49 V HN -0.023 nan 8.190 nan 0.000 0.424 50 V N 2.762 122.544 119.914 -0.220 0.000 2.555 50 V HA 0.755 4.875 4.120 -0.000 0.000 0.302 50 V C -0.672 175.369 176.094 -0.088 0.000 1.038 50 V CA -0.653 61.578 62.300 -0.115 0.000 0.887 50 V CB 1.815 33.654 31.823 0.026 0.000 0.991 50 V HN 0.686 nan 8.190 nan 0.000 0.434 51 I N 3.969 124.509 120.570 -0.050 0.000 2.418 51 I HA 0.456 4.626 4.170 -0.000 0.000 0.287 51 I C -0.566 175.574 176.117 0.039 0.000 1.008 51 I CA -0.933 60.325 61.300 -0.071 0.000 1.104 51 I CB 2.239 40.179 38.000 -0.100 0.000 1.264 51 I HN 0.435 nan 8.210 nan 0.000 0.438 52 V N 5.689 125.614 119.914 0.018 0.000 2.368 52 V HA 0.741 4.861 4.120 -0.000 0.000 0.266 52 V C 0.543 176.645 176.094 0.013 0.000 1.045 52 V CA -0.169 62.164 62.300 0.054 0.000 0.899 52 V CB 0.398 32.228 31.823 0.012 0.000 1.006 52 V HN 1.067 nan 8.190 nan 0.000 0.470 53 G N 4.020 112.844 108.800 0.040 0.000 2.906 53 G HA2 -0.031 3.928 3.960 -0.000 0.000 0.686 53 G HA3 -0.031 3.928 3.960 -0.000 0.000 0.686 53 G C -0.052 174.861 174.900 0.023 0.000 1.170 53 G CA -0.269 44.843 45.100 0.021 0.000 0.775 53 G HN 1.262 nan 8.290 nan 0.000 0.630 54 S N 1.046 116.763 115.700 0.028 0.000 2.588 54 S HA 0.606 5.076 4.470 -0.000 0.000 0.245 54 S C 1.320 175.930 174.600 0.017 0.000 1.021 54 S CA 0.690 58.914 58.200 0.039 0.000 1.006 54 S CB 0.653 63.889 63.200 0.060 0.000 0.830 54 S HN 1.921 nan 8.310 nan 0.000 0.468 55 G N 2.755 111.554 108.800 -0.002 0.000 2.583 55 G HA2 0.364 4.324 3.960 -0.000 0.000 0.275 55 G HA3 0.364 4.324 3.960 -0.000 0.000 0.275 55 G C -1.170 173.707 174.900 -0.037 0.000 1.342 55 G CA -1.188 43.893 45.100 -0.032 0.000 1.030 55 G HN 0.260 nan 8.290 nan 0.000 0.520 56 P HA -0.039 nan 4.420 nan 0.000 0.221 56 P C 1.697 178.948 177.300 -0.083 0.000 1.150 56 P CA 0.637 63.694 63.100 -0.072 0.000 0.800 56 P CB 0.202 31.885 31.700 -0.028 0.000 0.787 57 I N 0.158 120.709 120.570 -0.032 0.000 2.333 57 I HA -0.023 4.147 4.170 -0.000 0.000 0.246 57 I C 2.681 178.854 176.117 0.093 0.000 1.106 57 I CA 1.425 62.737 61.300 0.019 0.000 1.411 57 I CB -2.264 35.771 38.000 0.058 0.000 1.082 57 I HN -0.008 nan 8.210 nan 0.000 0.420 58 G N 0.252 109.082 108.800 0.050 0.000 2.442 58 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 58 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 58 G C 1.765 176.660 174.900 -0.008 0.000 1.141 58 G CA 1.015 46.134 45.100 0.033 0.000 0.763 58 G HN 0.407 nan 8.290 nan 0.000 0.554 59 C N 0.557 119.831 119.300 -0.044 0.000 2.432 59 C HA 0.044 4.504 4.460 -0.000 0.000 0.282 59 C C 3.175 178.042 174.990 -0.205 0.000 1.388 59 C CA 1.345 60.298 59.018 -0.108 0.000 1.777 59 C CB -0.945 26.780 27.740 -0.025 0.000 1.882 59 C HN 0.449 nan 8.230 nan 0.000 0.520 60 T N -0.073 114.387 114.554 -0.156 0.000 2.737 60 T HA -0.151 4.198 4.350 -0.000 0.000 0.265 60 T C 1.456 176.008 174.700 -0.246 0.000 1.038 60 T CA 1.579 63.558 62.100 -0.201 0.000 1.144 60 T CB -0.408 68.359 68.868 -0.168 0.000 0.866 60 T HN 0.569 nan 8.240 nan 0.000 0.434 61 Y N 1.469 121.628 120.300 -0.235 0.000 2.165 61 Y HA -0.085 4.465 4.550 -0.000 0.000 0.286 61 Y C 2.738 178.416 175.900 -0.370 0.000 1.155 61 Y CA 0.948 58.888 58.100 -0.268 0.000 1.164 61 Y CB -0.576 37.743 38.460 -0.234 0.000 0.978 61 Y HN 0.201 nan 8.280 nan 0.000 0.513 62 A N 0.170 122.789 122.820 -0.335 0.000 1.877 62 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 62 A C 2.269 179.258 177.584 -0.990 0.000 1.186 62 A CA 1.788 53.375 52.037 -0.749 0.000 0.620 62 A CB -0.745 17.554 19.000 -1.169 0.000 0.822 62 A HN 0.423 nan 8.150 nan 0.000 0.443 63 R N -0.428 119.560 120.500 -0.853 0.000 2.083 63 R HA -0.163 4.176 4.340 -0.000 0.000 0.237 63 R C 2.024 178.106 176.300 -0.364 0.000 1.137 63 R CA 1.751 57.504 56.100 -0.578 0.000 0.951 63 R CB -0.237 29.768 30.300 -0.492 0.000 0.851 63 R HN 0.553 nan 8.270 nan 0.000 0.434 64 E N 0.411 120.428 120.200 -0.305 0.000 2.047 64 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 64 E C 2.122 178.645 176.600 -0.128 0.000 0.987 64 E CA 1.211 57.506 56.400 -0.175 0.000 0.799 64 E CB -0.053 29.537 29.700 -0.184 0.000 0.752 64 E HN 0.428 nan 8.360 nan 0.000 0.449 65 L N 0.186 121.304 121.223 -0.175 0.000 2.202 65 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 65 L C 2.548 179.451 176.870 0.055 0.000 1.083 65 L CA 0.244 55.036 54.840 -0.080 0.000 0.790 65 L CB -0.318 41.579 42.059 -0.270 0.000 0.942 65 L HN -0.066 nan 8.230 nan 0.000 0.452 66 V N 0.743 120.592 119.914 -0.109 0.000 2.332 66 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 66 V C 2.645 178.744 176.094 0.008 0.000 1.055 66 V CA 2.165 64.435 62.300 -0.050 0.000 1.038 66 V CB -1.252 30.457 31.823 -0.190 0.000 0.651 66 V HN 0.573 nan 8.190 nan 0.000 0.450 67 G N -0.612 108.172 108.800 -0.028 0.000 2.432 67 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.219 67 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.219 67 G C 1.405 176.323 174.900 0.030 0.000 1.135 67 G CA 0.838 45.940 45.100 0.004 0.000 0.767 67 G HN 0.654 nan 8.290 nan 0.000 0.550 68 A N -0.518 122.343 122.820 0.069 0.000 2.307 68 A HA 0.510 4.830 4.320 -0.000 0.000 0.218 68 A C 1.823 179.408 177.584 0.001 0.000 1.228 68 A CA 1.104 53.189 52.037 0.080 0.000 0.857 68 A CB -0.375 18.737 19.000 0.188 0.000 0.897 68 A HN 1.541 nan 8.150 nan 0.000 0.495 69 G N -2.052 106.754 108.800 0.009 0.000 2.157 69 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.239 69 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.239 69 G C -0.072 174.745 174.900 -0.138 0.000 0.982 69 G CA 0.096 45.154 45.100 -0.070 0.000 0.650 69 G HN 0.395 nan 8.290 nan 0.000 0.527 70 Y N 0.501 120.785 120.300 -0.027 0.000 2.336 70 Y HA 0.448 4.998 4.550 -0.000 0.000 0.331 70 Y C 1.092 176.970 175.900 -0.036 0.000 1.211 70 Y CA -0.069 58.014 58.100 -0.028 0.000 1.346 70 Y CB 0.787 39.223 38.460 -0.040 0.000 1.271 70 Y HN 0.072 nan 8.280 nan 0.000 0.538 71 K N 2.936 123.405 120.400 0.115 0.000 2.292 71 K HA 0.397 4.717 4.320 -0.000 0.000 0.290 71 K C -1.544 175.151 176.600 0.158 0.000 1.083 71 K CA -0.127 56.206 56.287 0.077 0.000 0.918 71 K CB 0.028 32.547 32.500 0.031 0.000 1.089 71 K HN 0.496 nan 8.250 nan 0.000 0.473 72 V N 3.320 123.302 119.914 0.114 0.000 2.459 72 V HA 0.547 4.667 4.120 -0.000 0.000 0.295 72 V C -0.244 175.722 176.094 -0.213 0.000 1.029 72 V CA -0.922 61.394 62.300 0.026 0.000 0.874 72 V CB 1.453 33.343 31.823 0.112 0.000 0.985 72 V HN 0.884 nan 8.190 nan 0.000 0.438 73 A N 5.798 128.326 122.820 -0.487 0.000 2.337 73 A HA 0.931 5.250 4.320 -0.000 0.000 0.329 73 A C -0.594 176.624 177.584 -0.611 0.000 1.146 73 A CA -0.607 50.914 52.037 -0.860 0.000 0.800 73 A CB 1.428 19.564 19.000 -1.440 0.000 1.220 73 A HN 0.918 nan 8.150 nan 0.000 0.472 74 M N 2.346 121.515 119.600 -0.719 0.000 2.395 74 M HA 0.742 5.222 4.480 -0.000 0.000 0.307 74 M C -2.170 173.822 176.300 -0.513 0.000 1.091 74 M CA -0.411 54.663 55.300 -0.378 0.000 0.919 74 M CB 1.190 33.775 32.600 -0.025 0.000 1.662 74 M HN 0.591 nan 8.290 nan 0.000 0.440 75 F N 2.181 122.123 119.950 -0.013 0.000 2.508 75 F HA 0.584 5.111 4.527 -0.000 0.000 0.325 75 F C -0.176 175.623 175.800 -0.002 0.000 1.090 75 F CA -0.488 57.525 58.000 0.021 0.000 0.945 75 F CB 1.551 40.546 39.000 -0.009 0.000 1.156 75 F HN 0.467 nan 8.300 nan 0.000 0.463 76 D N 2.547 123.050 120.400 0.171 0.000 2.879 76 D HA 0.226 4.865 4.640 -0.000 0.000 0.236 76 D C 0.395 176.722 176.300 0.046 0.000 1.171 76 D CA -0.333 53.713 54.000 0.077 0.000 0.868 76 D CB 2.510 43.336 40.800 0.044 0.000 1.598 76 D HN 0.653 nan 8.370 nan 0.000 0.497 77 I N 1.927 122.476 120.570 -0.035 0.000 2.676 77 I HA 0.057 4.226 4.170 -0.000 0.000 0.259 77 I C 1.103 177.181 176.117 -0.066 0.000 1.194 77 I CA 0.724 61.960 61.300 -0.107 0.000 1.473 77 I CB 0.165 37.983 38.000 -0.303 0.000 1.096 77 I HN 0.335 nan 8.210 nan 0.000 0.443 78 G N -0.073 108.705 108.800 -0.037 0.000 2.532 78 G HA2 0.417 4.376 3.960 -0.000 0.000 0.291 78 G HA3 0.417 4.376 3.960 -0.000 0.000 0.291 78 G C -0.868 174.050 174.900 0.029 0.000 1.349 78 G CA -0.408 44.695 45.100 0.005 0.000 1.038 78 G HN 0.296 nan 8.290 nan 0.000 0.518 79 E N -1.518 118.705 120.200 0.038 0.000 2.378 79 E HA 0.379 4.728 4.350 -0.000 0.000 0.265 79 E C -0.568 176.056 176.600 0.040 0.000 0.932 79 E CA -0.777 55.648 56.400 0.041 0.000 0.795 79 E CB 2.556 32.283 29.700 0.045 0.000 1.296 79 E HN 0.257 nan 8.360 nan 0.000 0.438 80 I N 2.480 123.072 120.570 0.037 0.000 2.452 80 I HA 0.054 4.224 4.170 -0.000 0.000 0.287 80 I C -0.385 175.760 176.117 0.047 0.000 1.079 80 I CA 0.484 61.807 61.300 0.038 0.000 1.387 80 I CB 0.137 38.154 38.000 0.028 0.000 1.404 80 I HN 0.523 nan 8.210 nan 0.000 0.522 81 D N 2.709 123.144 120.400 0.058 0.000 3.671 81 D HA 0.033 4.673 4.640 -0.000 0.000 0.291 81 D C -0.248 176.108 176.300 0.093 0.000 1.373 81 D CA -0.359 53.683 54.000 0.070 0.000 0.753 81 D CB -0.132 40.708 40.800 0.066 0.000 1.338 81 D HN 0.217 nan 8.370 nan 0.000 0.690 82 S N -0.228 115.529 115.700 0.094 0.000 2.749 82 S HA 0.644 5.114 4.470 -0.000 0.000 0.246 82 S C 0.928 175.600 174.600 0.120 0.000 1.023 82 S CA 0.048 58.322 58.200 0.124 0.000 1.012 82 S CB 0.866 64.139 63.200 0.123 0.000 0.942 82 S HN 0.934 nan 8.310 nan 0.000 0.531 83 G N 1.476 110.334 108.800 0.096 0.000 2.615 83 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 83 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 83 G C 0.233 175.168 174.900 0.059 0.000 1.339 83 G CA -0.321 44.828 45.100 0.082 0.000 0.884 83 G HN 0.271 nan 8.290 nan 0.000 0.559 84 L N 0.321 121.573 121.223 0.047 0.000 2.313 84 L HA 0.141 4.481 4.340 -0.000 0.000 0.214 84 L C 1.442 178.325 176.870 0.020 0.000 1.119 84 L CA 0.821 55.677 54.840 0.027 0.000 0.809 84 L CB -0.295 41.775 42.059 0.018 0.000 0.933 84 L HN 0.317 nan 8.230 nan 0.000 0.449 85 K N 1.877 122.299 120.400 0.036 0.000 2.262 85 K HA 0.305 4.624 4.320 -0.000 0.000 0.288 85 K C -0.287 176.335 176.600 0.036 0.000 1.090 85 K CA -0.152 56.152 56.287 0.029 0.000 0.918 85 K CB 0.716 33.248 32.500 0.053 0.000 1.139 85 K HN 0.099 nan 8.250 nan 0.000 0.462 86 I N 1.851 122.426 120.570 0.008 0.000 2.618 86 I HA -0.041 4.129 4.170 -0.000 0.000 0.284 86 I C 1.360 177.495 176.117 0.030 0.000 1.146 86 I CA 0.668 61.979 61.300 0.018 0.000 1.425 86 I CB 0.499 38.498 38.000 -0.000 0.000 1.383 86 I HN 0.949 nan 8.210 nan 0.000 0.562 87 G N 4.270 113.099 108.800 0.049 0.000 2.153 87 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.252 87 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.252 87 G C 0.306 175.255 174.900 0.082 0.000 0.994 87 G CA 0.106 45.239 45.100 0.055 0.000 0.698 87 G HN 0.970 nan 8.290 nan 0.000 0.521 88 A N -0.489 122.396 122.820 0.108 0.000 2.272 88 A HA 0.627 4.947 4.320 -0.000 0.000 0.275 88 A C 0.576 178.285 177.584 0.208 0.000 1.096 88 A CA -0.319 51.818 52.037 0.166 0.000 0.822 88 A CB 0.291 19.390 19.000 0.166 0.000 1.088 88 A HN 0.633 nan 8.150 nan 0.000 0.495 89 H N 0.486 119.695 119.070 0.232 0.000 2.975 89 H HA 0.098 4.654 4.556 -0.000 0.000 0.303 89 H C 0.745 176.210 175.328 0.229 0.000 1.023 89 H CA 0.707 56.909 56.048 0.257 0.000 1.473 89 H CB 0.756 30.689 29.762 0.284 0.000 1.498 89 H HN 0.668 nan 8.280 nan 0.000 0.549 90 K N 3.386 124.015 120.400 0.382 0.000 2.362 90 K HA -0.106 4.214 4.320 -0.000 0.000 0.200 90 K C 1.665 178.544 176.600 0.465 0.000 1.046 90 K CA 0.948 57.511 56.287 0.459 0.000 0.952 90 K CB 0.279 33.069 32.500 0.483 0.000 0.753 90 K HN 0.539 nan 8.250 nan 0.000 0.466 91 K N 0.187 120.728 120.400 0.234 0.000 2.444 91 K HA 0.039 4.359 4.320 -0.000 0.000 0.193 91 K C 0.250 176.870 176.600 0.034 0.000 1.024 91 K CA 0.416 56.504 56.287 -0.331 0.000 1.077 91 K CB 0.218 31.847 32.500 -1.452 0.000 0.833 91 K HN -0.105 nan 8.250 nan 0.000 0.517 92 N N 2.522 121.362 118.700 0.233 0.000 2.484 92 N HA -0.003 4.737 4.740 -0.000 0.000 0.245 92 N C -0.667 175.118 175.510 0.458 0.000 1.184 92 N CA 0.324 53.557 53.050 0.304 0.000 0.884 92 N CB 0.754 39.463 38.487 0.371 0.000 1.182 92 N HN 0.424 nan 8.380 nan 0.000 0.493 93 T N -4.209 110.583 114.554 0.397 0.000 2.925 93 T HA 0.334 4.683 4.350 -0.000 0.000 0.285 93 T C 1.565 176.489 174.700 0.374 0.000 1.021 93 T CA -0.770 61.540 62.100 0.351 0.000 1.042 93 T CB 1.709 70.721 68.868 0.239 0.000 1.037 93 T HN -0.190 nan 8.240 nan 0.000 0.481 94 V N 1.245 121.341 119.914 0.303 0.000 2.392 94 V HA -0.131 3.989 4.120 -0.000 0.000 0.249 94 V C 2.818 178.997 176.094 0.142 0.000 1.059 94 V CA 2.332 64.788 62.300 0.259 0.000 1.051 94 V CB -1.041 30.858 31.823 0.126 0.000 0.658 94 V HN 1.043 nan 8.190 nan 0.000 0.455 95 E N -0.335 119.888 120.200 0.039 0.000 2.085 95 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 95 E C 1.964 178.518 176.600 -0.076 0.000 0.994 95 E CA 1.771 58.125 56.400 -0.077 0.000 0.801 95 E CB -0.280 29.299 29.700 -0.203 0.000 0.743 95 E HN 0.706 nan 8.360 nan 0.000 0.453 96 Y N 0.428 120.810 120.300 0.136 0.000 2.475 96 Y HA 0.061 4.610 4.550 -0.000 0.000 0.289 96 Y C 2.036 177.971 175.900 0.058 0.000 1.121 96 Y CA 0.878 59.048 58.100 0.117 0.000 1.257 96 Y CB 0.031 38.572 38.460 0.135 0.000 1.026 96 Y HN 0.137 nan 8.280 nan 0.000 0.555 97 Q N -0.171 119.735 119.800 0.177 0.000 2.378 97 Q HA -0.084 4.256 4.340 -0.000 0.000 0.205 97 Q C 1.590 177.655 176.000 0.109 0.000 0.954 97 Q CA 0.772 56.635 55.803 0.099 0.000 0.901 97 Q CB 0.017 28.756 28.738 0.002 0.000 0.981 97 Q HN 0.466 nan 8.270 nan 0.000 0.483 98 K N 0.377 120.845 120.400 0.113 0.000 2.314 98 K HA 0.061 4.381 4.320 -0.000 0.000 0.198 98 K C 0.500 177.152 176.600 0.087 0.000 1.045 98 K CA 0.420 56.759 56.287 0.086 0.000 0.988 98 K CB 0.431 32.970 32.500 0.066 0.000 0.783 98 K HN 0.069 nan 8.250 nan 0.000 0.484 99 N N 1.308 120.079 118.700 0.118 0.000 2.765 99 N HA 0.063 4.803 4.740 -0.000 0.000 0.277 99 N C 0.098 175.738 175.510 0.216 0.000 1.750 99 N CA 0.015 53.149 53.050 0.140 0.000 0.827 99 N CB 1.085 39.646 38.487 0.123 0.000 1.200 99 N HN 0.003 nan 8.380 nan 0.000 0.494 100 I N 1.022 121.702 120.570 0.183 0.000 2.361 100 I HA -0.185 3.985 4.170 -0.000 0.000 0.251 100 I C 1.167 177.413 176.117 0.216 0.000 1.133 100 I CA 1.516 62.929 61.300 0.188 0.000 1.413 100 I CB -0.007 38.062 38.000 0.115 0.000 1.073 100 I HN 0.244 nan 8.210 nan 0.000 0.424 101 D N 0.690 121.213 120.400 0.205 0.000 2.263 101 D HA -0.161 4.479 4.640 -0.000 0.000 0.208 101 D C 1.915 178.310 176.300 0.160 0.000 0.971 101 D CA 0.616 54.731 54.000 0.192 0.000 0.867 101 D CB 0.001 40.945 40.800 0.241 0.000 0.929 101 D HN 0.286 nan 8.370 nan 0.000 0.492 102 K N 0.248 120.780 120.400 0.220 0.000 2.280 102 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 102 K C 1.777 178.488 176.600 0.185 0.000 1.047 102 K CA 0.057 56.486 56.287 0.235 0.000 0.942 102 K CB -0.467 32.242 32.500 0.347 0.000 0.739 102 K HN 0.216 nan 8.250 nan 0.000 0.457 103 F N 1.193 121.128 119.950 -0.024 0.000 2.293 103 F HA -0.150 4.377 4.527 -0.000 0.000 0.300 103 F C 2.108 177.790 175.800 -0.197 0.000 1.086 103 F CA 0.431 58.248 58.000 -0.304 0.000 1.375 103 F CB -0.217 38.588 39.000 -0.325 0.000 1.045 103 F HN -0.230 nan 8.300 nan 0.000 0.516 104 V N 0.702 120.535 119.914 -0.134 0.000 2.453 104 V HA -0.381 3.738 4.120 -0.000 0.000 0.252 104 V C 1.751 177.668 176.094 -0.296 0.000 1.068 104 V CA 2.791 64.963 62.300 -0.214 0.000 1.070 104 V CB -0.627 31.092 31.823 -0.172 0.000 0.664 104 V HN 0.465 nan 8.190 nan 0.000 0.461 105 N N -0.674 117.876 118.700 -0.249 0.000 2.244 105 N HA -0.112 4.627 4.740 -0.000 0.000 0.183 105 N C 1.635 176.969 175.510 -0.294 0.000 1.016 105 N CA 1.433 54.355 53.050 -0.213 0.000 0.866 105 N CB -0.187 38.237 38.487 -0.104 0.000 0.980 105 N HN 0.424 nan 8.380 nan 0.000 0.430 106 V N 1.298 120.917 119.914 -0.491 0.000 2.295 106 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 106 V C 2.048 177.804 176.094 -0.564 0.000 1.049 106 V CA 1.409 63.360 62.300 -0.582 0.000 1.024 106 V CB -0.533 30.672 31.823 -1.031 0.000 0.648 106 V HN 0.295 nan 8.190 nan 0.000 0.447 107 I N -0.181 119.958 120.570 -0.719 0.000 2.127 107 I HA -0.354 3.816 4.170 -0.000 0.000 0.241 107 I C 2.742 178.614 176.117 -0.410 0.000 1.075 107 I CA 1.884 62.826 61.300 -0.597 0.000 1.334 107 I CB -0.495 37.197 38.000 -0.512 0.000 1.040 107 I HN 0.350 nan 8.210 nan 0.000 0.405 108 Q N 0.441 120.054 119.800 -0.310 0.000 2.135 108 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 108 Q C 2.321 178.224 176.000 -0.162 0.000 0.981 108 Q CA 1.540 57.217 55.803 -0.211 0.000 0.856 108 Q CB -0.478 28.154 28.738 -0.178 0.000 0.902 108 Q HN 0.669 nan 8.270 nan 0.000 0.425 109 G N 1.245 109.946 108.800 -0.165 0.000 2.498 109 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.219 109 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.219 109 G C 0.960 175.814 174.900 -0.077 0.000 1.119 109 G CA 0.904 45.940 45.100 -0.107 0.000 0.766 109 G HN 0.508 nan 8.290 nan 0.000 0.552 110 Q N -0.789 118.950 119.800 -0.101 0.000 2.115 110 Q HA 0.463 4.803 4.340 -0.000 0.000 0.249 110 Q C -0.414 175.573 176.000 -0.021 0.000 0.830 110 Q CA -0.308 55.475 55.803 -0.034 0.000 1.104 110 Q CB 0.158 28.901 28.738 0.010 0.000 1.207 110 Q HN 0.241 nan 8.270 nan 0.000 0.464 111 L N 2.107 123.294 121.223 -0.060 0.000 2.298 111 L HA 0.554 4.894 4.340 -0.000 0.000 0.284 111 L C -0.677 176.194 176.870 0.002 0.000 1.013 111 L CA -0.760 54.066 54.840 -0.023 0.000 0.824 111 L CB 1.529 43.544 42.059 -0.074 0.000 1.221 111 L HN 0.240 nan 8.230 nan 0.000 0.418 112 M N 2.089 121.716 119.600 0.045 0.000 2.167 112 M HA 0.327 4.807 4.480 -0.000 0.000 0.333 112 M C 0.026 176.364 176.300 0.063 0.000 1.030 112 M CA -0.512 54.821 55.300 0.054 0.000 0.963 112 M CB 1.278 33.931 32.600 0.088 0.000 1.589 112 M HN 0.363 nan 8.290 nan 0.000 0.431 113 S N 1.857 117.581 115.700 0.040 0.000 2.558 113 S HA 0.120 4.590 4.470 -0.000 0.000 0.293 113 S C 1.649 176.288 174.600 0.065 0.000 1.292 113 S CA -0.495 57.730 58.200 0.043 0.000 1.063 113 S CB 0.813 64.024 63.200 0.019 0.000 0.831 113 S HN 0.541 nan 8.310 nan 0.000 0.499 114 V N 2.315 122.282 119.914 0.089 0.000 2.323 114 V HA 0.016 4.135 4.120 -0.000 0.000 0.244 114 V C 1.199 177.299 176.094 0.010 0.000 1.041 114 V CA 1.457 63.803 62.300 0.076 0.000 1.025 114 V CB 0.086 32.000 31.823 0.152 0.000 0.656 114 V HN 0.808 nan 8.190 nan 0.000 0.451 115 S N -0.463 115.262 115.700 0.042 0.000 2.750 115 S HA 0.527 4.997 4.470 -0.000 0.000 0.276 115 S C -1.158 173.444 174.600 0.003 0.000 1.165 115 S CA -0.474 57.711 58.200 -0.025 0.000 1.047 115 S CB 1.455 64.605 63.200 -0.084 0.000 1.056 115 S HN 0.003 nan 8.310 nan 0.000 0.481 116 V N 7.681 127.584 119.914 -0.019 0.000 2.384 116 V HA 0.572 4.691 4.120 -0.000 0.000 0.287 116 V C -1.996 174.078 176.094 -0.033 0.000 1.020 116 V CA -1.825 60.463 62.300 -0.021 0.000 0.850 116 V CB 1.482 33.293 31.823 -0.021 0.000 0.987 116 V HN 0.707 nan 8.190 nan 0.000 0.436 117 P HA 0.188 nan 4.420 nan 0.000 0.274 117 P C -0.158 177.115 177.300 -0.045 0.000 1.246 117 P CA -0.183 62.895 63.100 -0.037 0.000 0.795 117 P CB 0.912 32.591 31.700 -0.035 0.000 1.006 118 V N 2.335 122.225 119.914 -0.039 0.000 2.673 118 V HA -0.035 4.085 4.120 -0.000 0.000 0.303 118 V C 1.251 177.292 176.094 -0.087 0.000 1.046 118 V CA 0.221 62.495 62.300 -0.043 0.000 1.126 118 V CB -0.564 31.256 31.823 -0.005 0.000 0.934 118 V HN 0.618 nan 8.190 nan 0.000 0.487 119 N N 3.482 122.122 118.700 -0.100 0.000 2.458 119 N HA 0.108 4.847 4.740 -0.000 0.000 0.270 119 N C 0.554 175.886 175.510 -0.297 0.000 1.102 119 N CA 0.380 53.342 53.050 -0.147 0.000 0.967 119 N CB 1.546 39.977 38.487 -0.094 0.000 1.078 119 N HN 0.860 nan 8.380 nan 0.000 0.471 120 T N 0.779 115.027 114.554 -0.509 0.000 3.252 120 T HA 0.271 4.621 4.350 -0.000 0.000 0.286 120 T C 0.806 175.001 174.700 -0.842 0.000 1.013 120 T CA -0.424 60.917 62.100 -1.265 0.000 0.914 120 T CB -0.414 67.863 68.868 -0.986 0.000 1.131 120 T HN 0.272 nan 8.240 nan 0.000 0.529 121 L N 2.010 123.029 121.223 -0.340 0.000 2.453 121 L HA 0.346 4.686 4.340 -0.000 0.000 0.272 121 L C 0.041 176.955 176.870 0.073 0.000 1.182 121 L CA -0.592 54.182 54.840 -0.110 0.000 0.858 121 L CB 0.851 42.877 42.059 -0.054 0.000 1.120 121 L HN 0.081 nan 8.230 nan 0.000 0.474 122 V N 4.783 124.760 119.914 0.105 0.000 2.383 122 V HA 0.192 4.312 4.120 -0.000 0.000 0.275 122 V C 0.108 176.270 176.094 0.113 0.000 1.036 122 V CA -0.486 61.930 62.300 0.194 0.000 0.889 122 V CB 1.606 33.528 31.823 0.167 0.000 0.985 122 V HN 0.403 nan 8.190 nan 0.000 0.459 123 V N 5.400 125.382 119.914 0.114 0.000 2.294 123 V HA 0.337 4.457 4.120 -0.000 0.000 0.272 123 V C 0.235 176.360 176.094 0.052 0.000 1.027 123 V CA -0.436 61.906 62.300 0.070 0.000 0.823 123 V CB 1.287 33.152 31.823 0.070 0.000 1.030 123 V HN 1.058 nan 8.190 nan 0.000 0.457 124 D N 2.009 122.432 120.400 0.038 0.000 2.501 124 D HA 0.007 4.647 4.640 -0.000 0.000 0.224 124 D C 1.100 177.409 176.300 0.016 0.000 1.202 124 D CA 0.201 54.215 54.000 0.022 0.000 0.829 124 D CB 0.397 41.209 40.800 0.021 0.000 1.023 124 D HN 0.543 nan 8.370 nan 0.000 0.499 125 T N -1.679 112.887 114.554 0.020 0.000 3.248 125 T HA 0.339 4.689 4.350 -0.000 0.000 0.271 125 T C 0.683 175.394 174.700 0.019 0.000 1.005 125 T CA -0.572 61.538 62.100 0.017 0.000 0.902 125 T CB -0.308 68.570 68.868 0.017 0.000 1.102 125 T HN 0.020 nan 8.240 nan 0.000 0.548 126 L N 1.849 123.085 121.223 0.022 0.000 2.467 126 L HA 0.298 4.638 4.340 -0.000 0.000 0.270 126 L C 1.168 178.049 176.870 0.018 0.000 1.205 126 L CA -0.527 54.329 54.840 0.027 0.000 0.828 126 L CB 0.384 42.463 42.059 0.033 0.000 1.101 126 L HN 0.259 nan 8.230 nan 0.000 0.479 127 S N 1.722 117.436 115.700 0.023 0.000 2.560 127 S HA 0.081 4.551 4.470 -0.000 0.000 0.284 127 S C -1.425 173.183 174.600 0.012 0.000 1.327 127 S CA -0.987 57.224 58.200 0.018 0.000 1.055 127 S CB 0.819 64.033 63.200 0.023 0.000 0.868 127 S HN 0.395 nan 8.310 nan 0.000 0.506 128 P HA -0.102 nan 4.420 nan 0.000 0.218 128 P C 1.351 178.651 177.300 0.001 0.000 1.146 128 P CA 1.493 64.590 63.100 -0.006 0.000 0.813 128 P CB -0.111 31.585 31.700 -0.006 0.000 0.778 129 T N -5.667 108.896 114.554 0.015 0.000 3.055 129 T HA 0.080 4.430 4.350 -0.000 0.000 0.265 129 T C 1.026 175.757 174.700 0.053 0.000 1.111 129 T CA 0.126 62.243 62.100 0.028 0.000 1.118 129 T CB -0.551 68.335 68.868 0.031 0.000 0.909 129 T HN -0.101 nan 8.240 nan 0.000 0.501 130 S N 1.367 117.101 115.700 0.057 0.000 2.564 130 S HA 0.287 4.757 4.470 -0.000 0.000 0.278 130 S C -0.572 174.110 174.600 0.137 0.000 1.333 130 S CA -0.986 57.277 58.200 0.105 0.000 1.048 130 S CB 0.156 63.412 63.200 0.094 0.000 0.900 130 S HN 0.591 nan 8.310 nan 0.000 0.505 131 W N 3.272 124.580 121.300 0.014 0.000 2.251 131 W HA 0.221 4.880 4.660 -0.000 0.000 0.327 131 W C 0.243 176.777 176.519 0.026 0.000 1.361 131 W CA 0.288 57.641 57.345 0.013 0.000 1.234 131 W CB 0.217 29.685 29.460 0.013 0.000 1.212 131 W HN 0.537 nan 8.180 nan 0.000 0.557 132 Q N 4.840 124.322 119.800 -0.530 0.000 2.331 132 Q HA 0.616 4.955 4.340 -0.000 0.000 0.272 132 Q C -0.968 174.577 176.000 -0.758 0.000 1.062 132 Q CA -0.887 54.691 55.803 -0.374 0.000 0.806 132 Q CB 1.881 30.487 28.738 -0.219 0.000 1.312 132 Q HN 0.592 nan 8.270 nan 0.000 0.431 133 A N 1.968 124.563 122.820 -0.375 0.000 2.340 133 A HA 0.379 4.698 4.320 -0.000 0.000 0.268 133 A C 0.397 177.817 177.584 -0.274 0.000 1.100 133 A CA -0.210 51.658 52.037 -0.282 0.000 0.803 133 A CB 1.046 20.181 19.000 0.225 0.000 1.043 133 A HN 0.843 nan 8.150 nan 0.000 0.488 134 S N -0.591 114.966 115.700 -0.238 0.000 2.503 134 S HA 0.111 4.580 4.470 -0.000 0.000 0.217 134 S C 0.866 175.350 174.600 -0.194 0.000 0.999 134 S CA 0.923 59.001 58.200 -0.203 0.000 0.914 134 S CB -0.120 62.984 63.200 -0.160 0.000 0.782 134 S HN 1.095 nan 8.310 nan 0.000 0.520 135 T N -1.486 112.988 114.554 -0.133 0.000 2.865 135 T HA 0.634 4.984 4.350 -0.000 0.000 0.294 135 T C -0.945 173.675 174.700 -0.133 0.000 1.119 135 T CA -0.737 61.279 62.100 -0.140 0.000 1.007 135 T CB 0.747 69.639 68.868 0.040 0.000 1.225 135 T HN -0.087 nan 8.240 nan 0.000 0.515 136 F N 2.936 122.959 119.950 0.122 0.000 2.499 136 F HA 0.408 4.935 4.527 -0.000 0.000 0.353 136 F C 0.363 176.205 175.800 0.071 0.000 1.196 136 F CA -1.782 56.250 58.000 0.053 0.000 1.244 136 F CB -0.773 38.231 39.000 0.006 0.000 1.577 136 F HN 0.567 nan 8.300 nan 0.000 0.614 137 F N -0.506 119.544 119.950 0.167 0.000 2.399 137 F HA 0.581 5.108 4.527 -0.000 0.000 0.313 137 F C -0.029 175.845 175.800 0.122 0.000 1.202 137 F CA -1.624 56.452 58.000 0.127 0.000 1.192 137 F CB -0.106 38.959 39.000 0.109 0.000 1.256 137 F HN -0.142 nan 8.300 nan 0.000 0.558 138 V N 3.024 123.076 119.914 0.230 0.000 2.409 138 V HA 0.204 4.323 4.120 -0.000 0.000 0.270 138 V C 0.170 176.282 176.094 0.030 0.000 1.019 138 V CA 0.140 62.496 62.300 0.093 0.000 1.066 138 V CB -1.017 30.883 31.823 0.128 0.000 1.021 138 V HN 0.709 nan 8.190 nan 0.000 0.476 139 R N 3.908 124.322 120.500 -0.143 0.000 2.807 139 R HA 0.481 4.820 4.340 -0.000 0.000 0.276 139 R C 0.258 176.513 176.300 -0.074 0.000 0.979 139 R CA -0.933 55.060 56.100 -0.179 0.000 0.928 139 R CB 1.260 31.325 30.300 -0.393 0.000 1.191 139 R HN 0.666 nan 8.270 nan 0.000 0.471 140 N N 0.613 119.294 118.700 -0.031 0.000 2.725 140 N HA -0.189 4.550 4.740 -0.000 0.000 0.249 140 N C 0.484 175.984 175.510 -0.018 0.000 1.103 140 N CA 1.546 54.582 53.050 -0.024 0.000 0.707 140 N CB -1.170 37.294 38.487 -0.038 0.000 1.043 140 N HN 1.079 nan 8.380 nan 0.000 0.553 141 G N -1.755 107.041 108.800 -0.007 0.000 2.159 141 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.256 141 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.256 141 G C 0.258 175.154 174.900 -0.007 0.000 0.977 141 G CA 0.955 46.054 45.100 -0.002 0.000 0.652 141 G HN 1.372 nan 8.290 nan 0.000 0.531 142 S N -0.517 115.173 115.700 -0.017 0.000 2.579 142 S HA 0.453 4.923 4.470 -0.000 0.000 0.275 142 S C 0.109 174.700 174.600 -0.016 0.000 1.345 142 S CA 0.189 58.375 58.200 -0.023 0.000 1.031 142 S CB 1.739 64.917 63.200 -0.037 0.000 0.892 142 S HN 0.756 nan 8.310 nan 0.000 0.529 143 N N 2.100 120.783 118.700 -0.029 0.000 2.501 143 N HA 0.388 5.128 4.740 -0.000 0.000 0.245 143 N C -1.746 173.748 175.510 -0.027 0.000 0.974 143 N CA -2.543 50.484 53.050 -0.039 0.000 0.941 143 N CB 1.395 39.829 38.487 -0.087 0.000 1.122 143 N HN 0.349 nan 8.380 nan 0.000 0.507 144 P HA -0.040 nan 4.420 nan 0.000 0.233 144 P C 0.335 177.656 177.300 0.036 0.000 1.167 144 P CA 0.809 63.926 63.100 0.029 0.000 0.770 144 P CB 0.570 32.303 31.700 0.055 0.000 0.837 145 E N -0.074 120.131 120.200 0.010 0.000 2.274 145 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 145 E C 0.937 177.539 176.600 0.004 0.000 0.996 145 E CA 0.595 57.017 56.400 0.037 0.000 0.840 145 E CB -0.209 29.445 29.700 -0.076 0.000 0.772 145 E HN 0.305 nan 8.360 nan 0.000 0.491 146 Q N 2.337 122.103 119.800 -0.057 0.000 2.307 146 Q HA 0.006 4.345 4.340 -0.000 0.000 0.261 146 Q C -0.776 175.228 176.000 0.006 0.000 1.051 146 Q CA -0.102 55.668 55.803 -0.055 0.000 0.911 146 Q CB 0.565 29.256 28.738 -0.078 0.000 1.227 146 Q HN -0.185 nan 8.270 nan 0.000 0.418 147 D N 6.223 126.648 120.400 0.041 0.000 2.382 147 D HA 0.020 4.660 4.640 -0.000 0.000 0.259 147 D C -1.666 174.648 176.300 0.023 0.000 1.224 147 D CA -1.770 52.256 54.000 0.043 0.000 0.894 147 D CB 1.242 42.082 40.800 0.067 0.000 1.127 147 D HN 0.435 nan 8.370 nan 0.000 0.487 148 P HA -0.093 nan 4.420 nan 0.000 0.222 148 P C 1.250 178.550 177.300 -0.000 0.000 1.147 148 P CA 0.734 63.829 63.100 -0.007 0.000 0.790 148 P CB 0.297 31.981 31.700 -0.027 0.000 0.780 149 L N -1.301 119.927 121.223 0.008 0.000 2.607 149 L HA 0.182 4.522 4.340 -0.000 0.000 0.228 149 L C 1.497 178.381 176.870 0.023 0.000 1.123 149 L CA 0.212 55.058 54.840 0.010 0.000 0.890 149 L CB -0.150 41.913 42.059 0.006 0.000 1.103 149 L HN -0.178 nan 8.230 nan 0.000 0.468 150 R N -0.096 120.427 120.500 0.038 0.000 2.734 150 R HA 0.217 4.557 4.340 -0.000 0.000 0.395 150 R C -0.391 175.962 176.300 0.090 0.000 1.096 150 R CA -0.277 55.859 56.100 0.061 0.000 1.071 150 R CB 0.287 30.627 30.300 0.067 0.000 1.348 150 R HN 0.049 nan 8.270 nan 0.000 0.600 151 N N 0.651 119.379 118.700 0.046 0.000 2.477 151 N HA 0.348 5.088 4.740 -0.000 0.000 0.284 151 N C -0.639 174.771 175.510 -0.167 0.000 1.182 151 N CA -0.592 52.465 53.050 0.011 0.000 0.949 151 N CB 1.153 39.645 38.487 0.008 0.000 1.204 151 N HN 0.101 nan 8.380 nan 0.000 0.526 152 L N 2.038 122.989 121.223 -0.452 0.000 2.417 152 L HA 0.210 4.549 4.340 -0.000 0.000 0.258 152 L C 1.464 178.132 176.870 -0.337 0.000 1.088 152 L CA -0.293 54.158 54.840 -0.648 0.000 0.975 152 L CB 0.408 41.677 42.059 -1.317 0.000 1.341 152 L HN 0.635 nan 8.230 nan 0.000 0.431 153 S N -0.157 115.446 115.700 -0.161 0.000 2.419 153 S HA -0.116 4.354 4.470 -0.000 0.000 0.233 153 S C 1.811 176.370 174.600 -0.069 0.000 1.016 153 S CA 0.969 59.125 58.200 -0.073 0.000 0.974 153 S CB -0.192 62.979 63.200 -0.047 0.000 0.786 153 S HN 0.636 nan 8.310 nan 0.000 0.492 154 G N 0.497 109.238 108.800 -0.098 0.000 2.650 154 G HA2 0.069 4.029 3.960 -0.000 0.000 0.214 154 G HA3 0.069 4.029 3.960 -0.000 0.000 0.214 154 G C 0.618 175.478 174.900 -0.067 0.000 1.136 154 G CA -0.228 44.828 45.100 -0.074 0.000 0.789 154 G HN 0.381 nan 8.290 nan 0.000 0.536 155 Q N 0.466 120.203 119.800 -0.105 0.000 2.364 155 Q HA 0.518 4.858 4.340 -0.000 0.000 0.267 155 Q C -0.166 175.863 176.000 0.050 0.000 0.999 155 Q CA 0.281 56.057 55.803 -0.045 0.000 0.886 155 Q CB 1.442 30.123 28.738 -0.093 0.000 1.243 155 Q HN 0.272 nan 8.270 nan 0.000 0.415 156 A N 1.823 124.686 122.820 0.072 0.000 2.606 156 A HA 0.709 5.029 4.320 -0.000 0.000 0.293 156 A C -1.045 176.610 177.584 0.119 0.000 1.082 156 A CA -0.543 51.545 52.037 0.085 0.000 0.685 156 A CB 1.285 20.314 19.000 0.048 0.000 1.284 156 A HN 0.477 nan 8.150 nan 0.000 0.408 157 V N -1.872 118.124 119.914 0.137 0.000 2.960 157 V HA 0.948 5.068 4.120 -0.000 0.000 0.315 157 V C -0.416 175.765 176.094 0.145 0.000 1.087 157 V CA -0.509 61.894 62.300 0.171 0.000 0.982 157 V CB 1.632 33.615 31.823 0.266 0.000 1.039 157 V HN 0.889 nan 8.190 nan 0.000 0.437 158 T N 2.915 117.555 114.554 0.142 0.000 2.792 158 T HA 0.588 4.938 4.350 -0.000 0.000 0.280 158 T C -0.333 174.408 174.700 0.068 0.000 0.990 158 T CA -0.478 61.693 62.100 0.119 0.000 0.960 158 T CB 1.108 70.079 68.868 0.172 0.000 0.939 158 T HN 0.775 nan 8.240 nan 0.000 0.439 159 R N 2.486 123.011 120.500 0.042 0.000 2.396 159 R HA 0.607 4.947 4.340 -0.000 0.000 0.292 159 R C -0.720 175.591 176.300 0.018 0.000 1.240 159 R CA -0.623 55.473 56.100 -0.007 0.000 1.270 159 R CB 0.824 31.084 30.300 -0.068 0.000 1.108 159 R HN 0.520 nan 8.270 nan 0.000 0.573 160 V N -1.647 118.281 119.914 0.023 0.000 3.120 160 V HA 0.444 4.564 4.120 -0.000 0.000 0.303 160 V C -0.118 175.992 176.094 0.027 0.000 1.238 160 V CA -1.139 61.181 62.300 0.034 0.000 1.008 160 V CB 1.961 33.815 31.823 0.051 0.000 1.064 160 V HN 0.153 nan 8.190 nan 0.000 0.434 161 V N 3.403 123.336 119.914 0.032 0.000 2.599 161 V HA 0.513 4.633 4.120 -0.000 0.000 0.300 161 V C 1.726 177.837 176.094 0.030 0.000 1.034 161 V CA 1.935 64.254 62.300 0.033 0.000 1.115 161 V CB 0.157 32.003 31.823 0.037 0.000 0.934 161 V HN 2.120 nan 8.190 nan 0.000 0.485 162 G N 3.257 112.069 108.800 0.021 0.000 2.194 162 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.236 162 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.236 162 G C 0.987 175.863 174.900 -0.040 0.000 0.987 162 G CA 0.260 45.360 45.100 0.001 0.000 0.635 162 G HN 2.127 nan 8.290 nan 0.000 0.520 163 G N 0.096 108.882 108.800 -0.023 0.000 2.581 163 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.291 163 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.291 163 G C 1.177 176.020 174.900 -0.094 0.000 1.277 163 G CA 1.189 46.267 45.100 -0.037 0.000 0.959 163 G HN 1.089 nan 8.290 nan 0.000 0.554 164 M N 1.414 120.925 119.600 -0.149 0.000 2.549 164 M HA -0.015 4.465 4.480 -0.000 0.000 0.260 164 M C 2.684 178.642 176.300 -0.570 0.000 1.076 164 M CA 1.746 56.827 55.300 -0.366 0.000 1.090 164 M CB -0.247 32.233 32.600 -0.201 0.000 1.418 164 M HN 0.727 nan 8.290 nan 0.000 0.486 165 S N -0.514 114.903 115.700 -0.470 0.000 2.603 165 S HA -0.055 4.415 4.470 -0.000 0.000 0.229 165 S C 1.632 176.091 174.600 -0.235 0.000 0.972 165 S CA 1.086 58.894 58.200 -0.654 0.000 0.935 165 S CB -0.922 61.911 63.200 -0.612 0.000 0.769 165 S HN 0.568 nan 8.310 nan 0.000 0.536 166 T N -0.744 113.682 114.554 -0.213 0.000 3.113 166 T HA 0.062 4.412 4.350 -0.000 0.000 0.256 166 T C 1.344 175.889 174.700 -0.258 0.000 1.131 166 T CA 0.761 62.762 62.100 -0.165 0.000 1.074 166 T CB -0.665 68.201 68.868 -0.003 0.000 0.944 166 T HN 0.901 nan 8.240 nan 0.000 0.516 167 H N -1.840 117.175 119.070 -0.093 0.000 3.535 167 H HA 0.206 4.762 4.556 -0.000 0.000 0.260 167 H C 0.568 176.128 175.328 0.386 0.000 1.173 167 H CA -1.017 55.129 56.048 0.165 0.000 1.168 167 H CB -0.372 29.476 29.762 0.144 0.000 1.568 167 H HN 0.474 nan 8.280 nan 0.000 0.602 168 W N 2.714 123.963 121.300 -0.084 0.000 2.034 168 W HA 0.274 4.934 4.660 -0.000 0.000 0.357 168 W C 0.081 176.716 176.519 0.193 0.000 1.326 168 W CA -0.111 57.299 57.345 0.109 0.000 1.318 168 W CB -0.279 29.169 29.460 -0.020 0.000 1.193 168 W HN -0.189 nan 8.180 nan 0.000 0.620 169 T N 0.788 115.346 114.554 0.008 0.000 3.088 169 T HA -0.012 4.338 4.350 -0.000 0.000 0.259 169 T C 1.039 175.339 174.700 -0.666 0.000 1.122 169 T CA 1.181 63.105 62.100 -0.292 0.000 1.095 169 T CB -0.565 68.291 68.868 -0.020 0.000 0.930 169 T HN 0.648 nan 8.240 nan 0.000 0.508 170 C N 0.936 119.450 119.300 -1.310 0.000 4.465 170 C HA -0.108 4.352 4.460 -0.000 0.000 0.274 170 C C 1.115 175.625 174.990 -0.800 0.000 1.337 170 C CA -0.809 57.162 59.018 -1.745 0.000 1.822 170 C CB -2.791 24.410 27.740 -0.900 0.000 1.357 170 C HN 0.765 nan 8.230 nan 0.000 0.753 171 A N 1.120 123.681 122.820 -0.430 0.000 2.404 171 A HA 0.565 4.885 4.320 -0.000 0.000 0.273 171 A C 0.776 178.283 177.584 -0.129 0.000 1.144 171 A CA 1.076 53.006 52.037 -0.179 0.000 0.806 171 A CB 0.197 19.158 19.000 -0.065 0.000 1.080 171 A HN 1.380 nan 8.150 nan 0.000 0.509 172 T N 1.587 116.082 114.554 -0.099 0.000 3.466 172 T HA 0.515 4.865 4.350 -0.000 0.000 0.297 172 T C -2.709 171.949 174.700 -0.070 0.000 1.640 172 T CA -1.531 60.546 62.100 -0.039 0.000 1.631 172 T CB 0.517 69.398 68.868 0.021 0.000 0.928 172 T HN 0.448 nan 8.240 nan 0.000 0.688 173 P HA 0.382 nan 4.420 nan 0.000 0.277 173 P C -0.141 177.020 177.300 -0.232 0.000 1.240 173 P CA -0.626 62.378 63.100 -0.160 0.000 0.798 173 P CB 1.163 32.739 31.700 -0.206 0.000 0.979 174 R N 0.806 121.088 120.500 -0.364 0.000 2.560 174 R HA 0.418 4.757 4.340 -0.000 0.000 0.270 174 R C 0.026 176.195 176.300 -0.218 0.000 1.074 174 R CA -0.444 55.234 56.100 -0.703 0.000 1.140 174 R CB 0.217 29.932 30.300 -0.975 0.000 1.073 174 R HN 0.379 nan 8.270 nan 0.000 0.527 175 F N 1.800 121.508 119.950 -0.403 0.000 2.394 175 F HA 0.071 4.598 4.527 -0.000 0.000 0.340 175 F C 0.878 176.488 175.800 -0.317 0.000 1.105 175 F CA -1.696 56.102 58.000 -0.337 0.000 1.124 175 F CB 0.435 39.230 39.000 -0.341 0.000 1.145 175 F HN 0.542 nan 8.300 nan 0.000 0.505 176 D N 2.428 122.748 120.400 -0.134 0.000 2.384 176 D HA 0.089 4.728 4.640 -0.000 0.000 0.244 176 D C 1.105 177.314 176.300 -0.152 0.000 1.251 176 D CA -0.365 53.556 54.000 -0.131 0.000 0.961 176 D CB 0.552 41.286 40.800 -0.109 0.000 1.116 176 D HN 0.478 nan 8.370 nan 0.000 0.484 177 R N -0.343 120.094 120.500 -0.106 0.000 2.103 177 R HA -0.183 4.156 4.340 -0.000 0.000 0.242 177 R C 2.024 178.265 176.300 -0.098 0.000 1.142 177 R CA 2.007 58.054 56.100 -0.089 0.000 0.960 177 R CB -0.349 29.934 30.300 -0.030 0.000 0.858 177 R HN 0.746 nan 8.270 nan 0.000 0.439 178 E N 0.391 120.526 120.200 -0.108 0.000 2.338 178 E HA -0.208 4.142 4.350 -0.000 0.000 0.197 178 E C 1.272 177.761 176.600 -0.186 0.000 1.007 178 E CA 0.945 57.290 56.400 -0.091 0.000 0.849 178 E CB -0.013 29.674 29.700 -0.021 0.000 0.774 178 E HN 0.465 nan 8.360 nan 0.000 0.506 179 Q N 0.187 119.786 119.800 -0.335 0.000 2.319 179 Q HA 0.177 4.517 4.340 -0.000 0.000 0.209 179 Q C 0.360 176.256 176.000 -0.174 0.000 0.884 179 Q CA -0.186 55.355 55.803 -0.437 0.000 0.938 179 Q CB 0.652 28.823 28.738 -0.946 0.000 1.098 179 Q HN 0.035 nan 8.270 nan 0.000 0.517 180 R N 2.183 122.621 120.500 -0.102 0.000 2.460 180 R HA 0.296 4.636 4.340 -0.000 0.000 0.303 180 R C -2.513 173.767 176.300 -0.033 0.000 0.968 180 R CA -2.100 53.938 56.100 -0.104 0.000 0.889 180 R CB 0.996 31.055 30.300 -0.401 0.000 1.123 180 R HN -0.108 nan 8.270 nan 0.000 0.455 181 P HA 0.031 nan 4.420 nan 0.000 0.272 181 P C -0.562 176.904 177.300 0.277 0.000 1.223 181 P CA -0.072 63.115 63.100 0.144 0.000 0.784 181 P CB 0.719 32.514 31.700 0.159 0.000 0.923 182 L N 2.719 124.066 121.223 0.207 0.000 2.380 182 L HA 0.144 4.484 4.340 -0.000 0.000 0.273 182 L C 1.710 178.728 176.870 0.248 0.000 1.138 182 L CA -0.187 54.845 54.840 0.320 0.000 0.832 182 L CB 0.281 42.576 42.059 0.393 0.000 1.124 182 L HN 0.368 nan 8.230 nan 0.000 0.454 183 L N 3.506 124.908 121.223 0.298 0.000 2.575 183 L HA 0.208 4.548 4.340 -0.000 0.000 0.228 183 L C -0.285 176.747 176.870 0.270 0.000 1.075 183 L CA 0.153 55.052 54.840 0.098 0.000 0.867 183 L CB 0.712 42.614 42.059 -0.262 0.000 1.097 183 L HN 0.319 nan 8.230 nan 0.000 0.485 184 V N 0.481 120.573 119.914 0.298 0.000 2.577 184 V HA 0.261 4.381 4.120 -0.000 0.000 0.303 184 V C -0.430 175.761 176.094 0.160 0.000 1.042 184 V CA -1.110 61.306 62.300 0.192 0.000 0.872 184 V CB 1.853 33.735 31.823 0.099 0.000 0.998 184 V HN 0.109 nan 8.190 nan 0.000 0.423 185 K N 2.512 122.879 120.400 -0.056 0.000 2.202 185 K HA 0.353 4.673 4.320 -0.000 0.000 0.264 185 K C -0.060 176.514 176.600 -0.044 0.000 1.010 185 K CA -0.492 55.720 56.287 -0.125 0.000 0.940 185 K CB 0.335 32.603 32.500 -0.387 0.000 0.983 185 K HN 0.704 nan 8.250 nan 0.000 0.475 186 D N 1.473 121.866 120.400 -0.012 0.000 2.751 186 D HA -0.175 4.465 4.640 -0.000 0.000 0.233 186 D C -0.731 175.575 176.300 0.009 0.000 1.149 186 D CA 1.356 55.353 54.000 -0.005 0.000 0.682 186 D CB -0.694 40.088 40.800 -0.030 0.000 1.068 186 D HN 0.655 nan 8.370 nan 0.000 0.429 187 D N -1.558 118.861 120.400 0.031 0.000 2.881 187 D HA 0.317 4.957 4.640 -0.000 0.000 0.238 187 D C 0.888 177.224 176.300 0.060 0.000 1.368 187 D CA 0.252 54.274 54.000 0.037 0.000 0.871 187 D CB 0.145 40.960 40.800 0.026 0.000 1.516 187 D HN 0.009 nan 8.370 nan 0.000 0.544 188 A N 1.702 124.559 122.820 0.061 0.000 1.933 188 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 188 A C 1.652 179.284 177.584 0.081 0.000 1.175 188 A CA 1.386 53.469 52.037 0.077 0.000 0.628 188 A CB 0.011 19.047 19.000 0.061 0.000 0.814 188 A HN 0.451 nan 8.150 nan 0.000 0.444 189 D N 0.003 120.440 120.400 0.062 0.000 2.183 189 D HA -0.003 4.637 4.640 -0.000 0.000 0.203 189 D C 2.188 178.528 176.300 0.065 0.000 0.969 189 D CA 1.292 55.328 54.000 0.060 0.000 0.842 189 D CB -0.228 40.599 40.800 0.044 0.000 0.957 189 D HN 0.455 nan 8.370 nan 0.000 0.484 190 A N 1.162 124.017 122.820 0.059 0.000 1.929 190 A HA -0.185 4.134 4.320 -0.000 0.000 0.216 190 A C 1.946 179.573 177.584 0.073 0.000 1.176 190 A CA 1.794 53.861 52.037 0.052 0.000 0.628 190 A CB -0.470 18.553 19.000 0.038 0.000 0.816 190 A HN 0.139 nan 8.150 nan 0.000 0.444 191 D N -0.150 120.316 120.400 0.110 0.000 2.097 191 D HA -0.178 4.462 4.640 -0.000 0.000 0.195 191 D C 1.309 177.762 176.300 0.255 0.000 0.989 191 D CA 1.653 55.761 54.000 0.180 0.000 0.827 191 D CB -0.152 40.783 40.800 0.225 0.000 0.966 191 D HN 0.324 nan 8.370 nan 0.000 0.456 192 D N -0.249 120.277 120.400 0.210 0.000 2.116 192 D HA -0.168 4.472 4.640 -0.000 0.000 0.193 192 D C 1.999 178.410 176.300 0.184 0.000 0.998 192 D CA 1.678 55.801 54.000 0.206 0.000 0.836 192 D CB -0.650 40.226 40.800 0.127 0.000 0.951 192 D HN 0.345 nan 8.370 nan 0.000 0.449 193 A N 0.436 123.325 122.820 0.115 0.000 1.933 193 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 193 A C 2.130 179.746 177.584 0.054 0.000 1.175 193 A CA 1.966 54.050 52.037 0.078 0.000 0.628 193 A CB -0.522 18.506 19.000 0.046 0.000 0.814 193 A HN 0.217 nan 8.150 nan 0.000 0.444 194 E N -0.906 119.307 120.200 0.021 0.000 2.047 194 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 194 E C 1.691 178.216 176.600 -0.125 0.000 0.987 194 E CA 1.505 57.848 56.400 -0.095 0.000 0.799 194 E CB -0.469 29.123 29.700 -0.179 0.000 0.752 194 E HN 0.715 nan 8.360 nan 0.000 0.449 195 W N 0.835 122.106 121.300 -0.049 0.000 2.358 195 W HA -0.122 4.538 4.660 -0.000 0.000 0.303 195 W C 2.158 178.682 176.519 0.008 0.000 1.208 195 W CA 1.281 58.565 57.345 -0.101 0.000 1.274 195 W CB -0.410 29.034 29.460 -0.026 0.000 1.138 195 W HN 0.267 nan 8.180 nan 0.000 0.515 196 D N 0.006 120.589 120.400 0.306 0.000 2.123 196 D HA -0.236 4.404 4.640 -0.000 0.000 0.196 196 D C 2.162 178.539 176.300 0.130 0.000 0.992 196 D CA 1.650 55.788 54.000 0.230 0.000 0.833 196 D CB -0.198 40.690 40.800 0.147 0.000 0.954 196 D HN -0.035 nan 8.370 nan 0.000 0.455 197 R N -0.376 120.151 120.500 0.045 0.000 2.073 197 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 197 R C 2.429 178.690 176.300 -0.065 0.000 1.134 197 R CA 1.224 57.311 56.100 -0.021 0.000 0.952 197 R CB -0.275 29.991 30.300 -0.056 0.000 0.850 197 R HN 0.275 nan 8.270 nan 0.000 0.433 198 L N -0.714 120.435 121.223 -0.124 0.000 2.027 198 L HA -0.159 4.181 4.340 -0.000 0.000 0.206 198 L C 2.339 179.135 176.870 -0.123 0.000 1.074 198 L CA 1.095 55.804 54.840 -0.218 0.000 0.745 198 L CB -0.638 41.185 42.059 -0.395 0.000 0.898 198 L HN 0.189 nan 8.230 nan 0.000 0.433 199 Y N 0.474 120.778 120.300 0.008 0.000 2.165 199 Y HA -0.247 4.303 4.550 -0.000 0.000 0.286 199 Y C 2.892 178.769 175.900 -0.039 0.000 1.155 199 Y CA 1.585 59.692 58.100 0.012 0.000 1.164 199 Y CB -1.197 37.301 38.460 0.064 0.000 0.978 199 Y HN 0.135 nan 8.280 nan 0.000 0.513 200 T N -0.338 114.292 114.554 0.126 0.000 2.788 200 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 200 T C 1.974 176.641 174.700 -0.056 0.000 1.044 200 T CA 1.727 63.849 62.100 0.037 0.000 1.139 200 T CB -0.155 68.728 68.868 0.024 0.000 0.867 200 T HN 0.249 nan 8.240 nan 0.000 0.454 201 K N 0.801 121.112 120.400 -0.149 0.000 2.031 201 K HA 0.060 4.380 4.320 -0.000 0.000 0.205 201 K C 2.565 178.837 176.600 -0.548 0.000 1.049 201 K CA 1.010 57.083 56.287 -0.356 0.000 0.939 201 K CB -0.309 31.940 32.500 -0.419 0.000 0.717 201 K HN 0.243 nan 8.250 nan 0.000 0.438 202 A N 1.452 124.050 122.820 -0.370 0.000 1.917 202 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 202 A C 1.841 179.422 177.584 -0.006 0.000 1.182 202 A CA 1.983 53.877 52.037 -0.239 0.000 0.633 202 A CB -0.597 18.383 19.000 -0.034 0.000 0.819 202 A HN 0.491 nan 8.150 nan 0.000 0.448 203 E N -0.705 119.536 120.200 0.069 0.000 2.153 203 E HA -0.141 4.208 4.350 -0.000 0.000 0.194 203 E C 2.248 178.928 176.600 0.133 0.000 0.988 203 E CA 1.129 57.616 56.400 0.144 0.000 0.811 203 E CB -0.157 29.601 29.700 0.096 0.000 0.746 203 E HN 0.610 nan 8.360 nan 0.000 0.466 204 S N -0.447 115.281 115.700 0.046 0.000 2.368 204 S HA -0.146 4.324 4.470 -0.000 0.000 0.224 204 S C 1.769 176.513 174.600 0.241 0.000 1.029 204 S CA 0.822 59.081 58.200 0.098 0.000 0.988 204 S CB -0.162 63.063 63.200 0.043 0.000 0.838 204 S HN 0.273 nan 8.310 nan 0.000 0.462 205 Y N 0.166 120.475 120.300 0.015 0.000 2.224 205 Y HA 0.067 4.617 4.550 -0.000 0.000 0.289 205 Y C 1.968 177.892 175.900 0.040 0.000 1.146 205 Y CA 0.254 58.329 58.100 -0.042 0.000 1.182 205 Y CB -0.982 37.363 38.460 -0.191 0.000 0.983 205 Y HN 0.333 nan 8.280 nan 0.000 0.524 206 F N 0.196 120.305 119.950 0.265 0.000 2.743 206 F HA 0.042 4.568 4.527 -0.000 0.000 0.297 206 F C 0.813 176.726 175.800 0.189 0.000 1.131 206 F CA 0.164 58.310 58.000 0.242 0.000 1.426 206 F CB -0.278 38.885 39.000 0.272 0.000 1.116 206 F HN -0.023 nan 8.300 nan 0.000 0.583 207 Q N 0.587 120.577 119.800 0.317 0.000 2.463 207 Q HA -0.192 4.148 4.340 -0.000 0.000 0.299 207 Q C 0.080 176.169 176.000 0.149 0.000 1.353 207 Q CA 0.716 56.632 55.803 0.188 0.000 0.828 207 Q CB -2.628 26.196 28.738 0.144 0.000 1.157 207 Q HN 0.201 nan 8.270 nan 0.000 0.436 208 T N -0.069 114.587 114.554 0.170 0.000 2.916 208 T HA 0.479 4.829 4.350 -0.000 0.000 0.303 208 T C 0.762 175.495 174.700 0.055 0.000 1.025 208 T CA 0.569 62.734 62.100 0.107 0.000 1.142 208 T CB 1.310 70.251 68.868 0.121 0.000 0.947 208 T HN 0.502 nan 8.240 nan 0.000 0.544 209 G N 0.605 109.420 108.800 0.026 0.000 2.684 209 G HA2 0.550 4.510 3.960 -0.000 0.000 0.290 209 G HA3 0.550 4.510 3.960 -0.000 0.000 0.290 209 G C -0.105 174.803 174.900 0.014 0.000 1.425 209 G CA -0.647 44.460 45.100 0.011 0.000 0.822 209 G HN 0.624 nan 8.290 nan 0.000 0.482 210 T N -2.144 112.419 114.554 0.015 0.000 3.442 210 T HA 0.309 4.659 4.350 -0.000 0.000 0.295 210 T C -0.056 174.660 174.700 0.026 0.000 1.007 210 T CA 0.319 62.438 62.100 0.032 0.000 0.962 210 T CB 0.348 69.240 68.868 0.041 0.000 1.187 210 T HN 0.515 nan 8.240 nan 0.000 0.490 211 D N 0.074 120.470 120.400 -0.006 0.000 2.520 211 D HA 0.044 4.684 4.640 -0.000 0.000 0.223 211 D C 1.276 177.514 176.300 -0.104 0.000 1.186 211 D CA -0.086 53.890 54.000 -0.039 0.000 0.821 211 D CB -0.073 40.697 40.800 -0.050 0.000 1.072 211 D HN 0.275 nan 8.370 nan 0.000 0.518 212 Q N -0.365 119.367 119.800 -0.113 0.000 2.437 212 Q HA 0.142 4.481 4.340 -0.000 0.000 0.210 212 Q C 0.290 175.919 176.000 -0.618 0.000 0.972 212 Q CA 0.908 56.511 55.803 -0.333 0.000 0.903 212 Q CB -0.256 28.259 28.738 -0.372 0.000 0.967 212 Q HN 0.284 nan 8.270 nan 0.000 0.486 213 F N -0.181 119.606 119.950 -0.271 0.000 2.698 213 F HA 0.225 4.752 4.527 -0.000 0.000 0.304 213 F C 1.237 176.844 175.800 -0.322 0.000 1.108 213 F CA -0.519 57.280 58.000 -0.336 0.000 1.263 213 F CB 0.376 39.090 39.000 -0.476 0.000 1.013 213 F HN -0.003 nan 8.300 nan 0.000 0.532 214 K N 0.266 120.584 120.400 -0.137 0.000 2.211 214 K HA -0.115 4.205 4.320 -0.000 0.000 0.203 214 K C 0.966 177.490 176.600 -0.127 0.000 1.050 214 K CA 1.605 57.860 56.287 -0.054 0.000 0.945 214 K CB -0.193 32.256 32.500 -0.086 0.000 0.732 214 K HN 0.299 nan 8.250 nan 0.000 0.451 215 E N 1.683 121.699 120.200 -0.307 0.000 2.451 215 E HA 0.051 4.401 4.350 -0.000 0.000 0.194 215 E C -0.668 175.803 176.600 -0.214 0.000 1.027 215 E CA -0.364 55.666 56.400 -0.618 0.000 0.914 215 E CB 0.761 30.010 29.700 -0.752 0.000 1.054 215 E HN 0.234 nan 8.360 nan 0.000 0.461 216 S N 0.369 116.082 115.700 0.021 0.000 2.528 216 S HA 0.148 4.618 4.470 -0.000 0.000 0.277 216 S C 1.213 175.910 174.600 0.162 0.000 1.297 216 S CA -0.448 57.820 58.200 0.114 0.000 1.052 216 S CB 0.525 63.842 63.200 0.196 0.000 0.917 216 S HN 0.235 nan 8.310 nan 0.000 0.492 217 I N 4.684 125.231 120.570 -0.039 0.000 2.252 217 I HA -0.139 4.030 4.170 -0.000 0.000 0.245 217 I C 2.703 178.645 176.117 -0.291 0.000 1.102 217 I CA 1.098 62.132 61.300 -0.443 0.000 1.385 217 I CB -0.179 37.331 38.000 -0.817 0.000 1.064 217 I HN 0.703 nan 8.210 nan 0.000 0.414 218 R N -0.589 119.838 120.500 -0.123 0.000 2.092 218 R HA -0.202 4.137 4.340 -0.000 0.000 0.231 218 R C 2.341 178.667 176.300 0.044 0.000 1.119 218 R CA 1.412 57.485 56.100 -0.046 0.000 0.970 218 R CB -0.517 29.771 30.300 -0.019 0.000 0.864 218 R HN 0.411 nan 8.270 nan 0.000 0.440 219 H N 1.199 120.288 119.070 0.031 0.000 2.293 219 H HA -0.041 4.515 4.556 -0.000 0.000 0.300 219 H C 1.772 177.169 175.328 0.116 0.000 1.082 219 H CA 1.862 57.950 56.048 0.068 0.000 1.308 219 H CB -0.101 29.733 29.762 0.119 0.000 1.375 219 H HN 0.095 nan 8.280 nan 0.000 0.495 220 N N 0.110 118.903 118.700 0.155 0.000 2.188 220 N HA -0.129 4.611 4.740 -0.000 0.000 0.184 220 N C 2.067 177.720 175.510 0.238 0.000 1.018 220 N CA 1.053 54.241 53.050 0.231 0.000 0.858 220 N CB -0.256 38.576 38.487 0.574 0.000 0.989 220 N HN 0.324 nan 8.380 nan 0.000 0.426 221 L N 1.262 122.632 121.223 0.245 0.000 2.012 221 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 221 L C 2.116 179.041 176.870 0.092 0.000 1.073 221 L CA 1.405 56.393 54.840 0.247 0.000 0.748 221 L CB -0.537 41.618 42.059 0.161 0.000 0.891 221 L HN -0.124 nan 8.230 nan 0.000 0.431 222 V N -0.765 119.152 119.914 0.005 0.000 2.323 222 V HA -0.227 3.893 4.120 -0.000 0.000 0.244 222 V C 2.429 178.451 176.094 -0.120 0.000 1.041 222 V CA 1.548 63.819 62.300 -0.048 0.000 1.025 222 V CB -0.632 31.139 31.823 -0.086 0.000 0.656 222 V HN 0.514 nan 8.190 nan 0.000 0.451 223 L N 1.115 122.230 121.223 -0.181 0.000 2.012 223 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 223 L C 2.198 179.005 176.870 -0.105 0.000 1.073 223 L CA 2.126 56.851 54.840 -0.192 0.000 0.748 223 L CB -0.994 40.906 42.059 -0.264 0.000 0.891 223 L HN 0.323 nan 8.230 nan 0.000 0.431 224 N N -0.157 118.528 118.700 -0.025 0.000 2.142 224 N HA -0.201 4.539 4.740 -0.000 0.000 0.186 224 N C 1.828 177.324 175.510 -0.023 0.000 1.023 224 N CA 1.345 54.399 53.050 0.007 0.000 0.852 224 N CB -0.326 38.193 38.487 0.052 0.000 0.998 224 N HN 0.316 nan 8.380 nan 0.000 0.424 225 K N 1.505 121.888 120.400 -0.027 0.000 2.026 225 K HA 0.033 4.353 4.320 -0.000 0.000 0.208 225 K C 1.965 178.519 176.600 -0.078 0.000 1.048 225 K CA 0.966 57.234 56.287 -0.032 0.000 0.929 225 K CB -0.487 32.013 32.500 0.000 0.000 0.713 225 K HN 0.111 nan 8.250 nan 0.000 0.439 226 L N 0.137 121.241 121.223 -0.199 0.000 2.046 226 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 226 L C 2.305 178.988 176.870 -0.313 0.000 1.077 226 L CA 1.689 56.283 54.840 -0.410 0.000 0.747 226 L CB -0.878 40.509 42.059 -1.119 0.000 0.896 226 L HN 0.276 nan 8.230 nan 0.000 0.432 227 T N -0.671 113.756 114.554 -0.212 0.000 2.635 227 T HA -0.273 4.077 4.350 -0.000 0.000 0.267 227 T C 1.780 176.541 174.700 0.102 0.000 1.040 227 T CA 1.972 64.117 62.100 0.074 0.000 1.156 227 T CB -0.147 68.768 68.868 0.078 0.000 0.863 227 T HN 0.277 nan 8.240 nan 0.000 0.430 228 E N 1.062 121.282 120.200 0.033 0.000 2.031 228 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 228 E C 2.290 178.897 176.600 0.011 0.000 0.994 228 E CA 1.259 57.672 56.400 0.021 0.000 0.800 228 E CB -0.209 29.486 29.700 -0.009 0.000 0.752 228 E HN 0.355 nan 8.360 nan 0.000 0.447 229 E N -0.670 119.521 120.200 -0.015 0.000 2.171 229 E HA -0.198 4.152 4.350 -0.000 0.000 0.197 229 E C 0.977 177.444 176.600 -0.221 0.000 0.997 229 E CA 1.118 57.440 56.400 -0.130 0.000 0.810 229 E CB -0.182 29.413 29.700 -0.176 0.000 0.738 229 E HN 0.489 nan 8.360 nan 0.000 0.467 230 Y N 0.886 121.232 120.300 0.077 0.000 2.681 230 Y HA 0.108 4.658 4.550 -0.000 0.000 0.267 230 Y C 0.367 176.340 175.900 0.122 0.000 1.166 230 Y CA -0.552 57.633 58.100 0.141 0.000 1.209 230 Y CB 0.138 38.785 38.460 0.312 0.000 1.161 230 Y HN -0.134 nan 8.280 nan 0.000 0.534 231 K N -0.015 120.488 120.400 0.172 0.000 2.484 231 K HA 0.239 4.559 4.320 -0.000 0.000 0.280 231 K C 1.181 177.845 176.600 0.107 0.000 1.013 231 K CA 0.956 57.321 56.287 0.129 0.000 1.029 231 K CB 0.279 32.822 32.500 0.072 0.000 0.902 231 K HN 0.424 nan 8.250 nan 0.000 0.481 232 G N 2.444 111.306 108.800 0.103 0.000 2.168 232 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.263 232 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.263 232 G C 0.568 175.523 174.900 0.092 0.000 0.977 232 G CA 0.805 45.953 45.100 0.080 0.000 0.659 232 G HN 0.760 nan 8.290 nan 0.000 0.533 233 Q N -1.636 118.246 119.800 0.135 0.000 2.527 233 Q HA 0.258 4.598 4.340 -0.000 0.000 0.252 233 Q C 1.101 177.183 176.000 0.136 0.000 0.827 233 Q CA 0.105 55.997 55.803 0.147 0.000 0.979 233 Q CB 1.057 29.916 28.738 0.201 0.000 1.248 233 Q HN 0.485 nan 8.270 nan 0.000 0.578 234 R N 0.462 121.051 120.500 0.148 0.000 2.740 234 R HA 0.398 4.738 4.340 -0.000 0.000 0.273 234 R C -1.648 174.643 176.300 -0.016 0.000 0.998 234 R CA -0.747 55.337 56.100 -0.028 0.000 0.900 234 R CB 1.712 31.784 30.300 -0.381 0.000 1.223 234 R HN -0.061 nan 8.270 nan 0.000 0.466 235 D N 1.201 121.516 120.400 -0.142 0.000 2.163 235 D HA 0.415 5.055 4.640 -0.000 0.000 0.248 235 D C -0.813 175.304 176.300 -0.305 0.000 1.035 235 D CA 0.085 54.043 54.000 -0.070 0.000 0.872 235 D CB 1.197 41.978 40.800 -0.032 0.000 1.183 235 D HN 0.138 nan 8.370 nan 0.000 0.445 236 F N 0.658 120.611 119.950 0.005 0.000 2.561 236 F HA 0.418 4.944 4.527 -0.000 0.000 0.321 236 F C 0.563 176.375 175.800 0.019 0.000 1.065 236 F CA -0.634 57.362 58.000 -0.007 0.000 0.934 236 F CB 1.817 40.807 39.000 -0.017 0.000 1.215 236 F HN 0.211 nan 8.300 nan 0.000 0.471 237 Q N -0.053 119.862 119.800 0.191 0.000 2.737 237 Q HA 0.326 4.666 4.340 -0.000 0.000 0.307 237 Q C -1.617 174.494 176.000 0.184 0.000 0.905 237 Q CA -1.288 54.610 55.803 0.159 0.000 0.753 237 Q CB 1.734 30.530 28.738 0.097 0.000 1.463 237 Q HN 0.613 nan 8.270 nan 0.000 0.455 238 Q N 0.930 120.859 119.800 0.214 0.000 2.364 238 Q HA 0.234 4.574 4.340 -0.000 0.000 0.267 238 Q C -0.481 175.585 176.000 0.110 0.000 0.999 238 Q CA -0.227 55.712 55.803 0.227 0.000 0.886 238 Q CB 0.516 29.352 28.738 0.163 0.000 1.243 238 Q HN 0.591 nan 8.270 nan 0.000 0.415 239 I N 6.372 126.984 120.570 0.071 0.000 2.906 239 I HA -0.108 4.062 4.170 -0.000 0.000 0.302 239 I C -1.978 174.155 176.117 0.027 0.000 1.220 239 I CA -1.102 60.216 61.300 0.031 0.000 1.441 239 I CB 0.052 38.037 38.000 -0.024 0.000 1.336 239 I HN 0.451 nan 8.210 nan 0.000 0.565 240 P HA 0.213 nan 4.420 nan 0.000 0.271 240 P C -0.922 176.373 177.300 -0.010 0.000 1.233 240 P CA 0.189 63.292 63.100 0.005 0.000 0.764 240 P CB 0.415 32.105 31.700 -0.017 0.000 0.825 241 L N 2.524 123.751 121.223 0.007 0.000 2.365 241 L HA 0.641 4.981 4.340 -0.000 0.000 0.273 241 L C 0.335 177.197 176.870 -0.014 0.000 1.000 241 L CA -1.184 53.657 54.840 0.002 0.000 0.819 241 L CB 2.086 44.216 42.059 0.118 0.000 1.284 241 L HN 0.240 nan 8.230 nan 0.000 0.418 242 A N 3.182 125.956 122.820 -0.078 0.000 2.539 242 A HA 0.759 5.078 4.320 -0.000 0.000 0.306 242 A C 0.035 177.635 177.584 0.026 0.000 1.392 242 A CA 0.123 52.159 52.037 -0.002 0.000 1.060 242 A CB -0.284 18.680 19.000 -0.061 0.000 1.134 242 A HN 0.830 nan 8.150 nan 0.000 0.542 243 A N 2.060 124.862 122.820 -0.030 0.000 2.581 243 A HA 0.698 5.018 4.320 -0.000 0.000 0.294 243 A C -0.535 176.924 177.584 -0.207 0.000 1.035 243 A CA -0.467 51.446 52.037 -0.207 0.000 0.684 243 A CB 0.590 19.267 19.000 -0.539 0.000 1.282 243 A HN 0.743 nan 8.150 nan 0.000 0.417 244 T N 1.400 115.802 114.554 -0.253 0.000 2.879 244 T HA 0.513 4.863 4.350 -0.000 0.000 0.290 244 T C -0.058 174.481 174.700 -0.268 0.000 0.993 244 T CA -0.451 61.529 62.100 -0.199 0.000 0.975 244 T CB 1.326 70.137 68.868 -0.094 0.000 0.981 244 T HN 0.760 nan 8.240 nan 0.000 0.439 245 R N 2.101 122.431 120.500 -0.284 0.000 2.491 245 R HA 0.268 4.608 4.340 -0.000 0.000 0.283 245 R C 0.734 176.947 176.300 -0.144 0.000 1.072 245 R CA -0.323 55.605 56.100 -0.288 0.000 1.048 245 R CB 0.400 30.496 30.300 -0.341 0.000 0.983 245 R HN 0.403 nan 8.270 nan 0.000 0.450 246 R N 1.000 121.469 120.500 -0.052 0.000 2.250 246 R HA 0.148 4.488 4.340 -0.000 0.000 0.194 246 R C 0.192 176.480 176.300 -0.020 0.000 0.927 246 R CA 0.659 56.758 56.100 -0.002 0.000 1.052 246 R CB 0.366 30.712 30.300 0.076 0.000 1.055 246 R HN 0.765 nan 8.270 nan 0.000 0.537 247 S N -1.283 114.413 115.700 -0.005 0.000 2.643 247 S HA 0.404 4.874 4.470 -0.000 0.000 0.270 247 S C -2.594 171.975 174.600 -0.053 0.000 1.166 247 S CA -1.062 57.123 58.200 -0.025 0.000 0.815 247 S CB 2.165 65.368 63.200 0.006 0.000 1.139 247 S HN -0.259 nan 8.310 nan 0.000 0.472 248 P HA 0.028 nan 4.420 nan 0.000 0.223 248 P C 0.986 178.259 177.300 -0.044 0.000 1.144 248 P CA 1.636 64.694 63.100 -0.069 0.000 0.783 248 P CB -0.186 31.491 31.700 -0.039 0.000 0.771 249 T N -6.819 107.742 114.554 0.011 0.000 3.091 249 T HA 0.283 4.633 4.350 -0.000 0.000 0.277 249 T C -0.208 174.555 174.700 0.105 0.000 0.996 249 T CA -0.337 61.792 62.100 0.048 0.000 0.897 249 T CB -0.503 68.410 68.868 0.076 0.000 1.109 249 T HN -0.119 nan 8.240 nan 0.000 0.534 250 F N 1.550 121.443 119.950 -0.095 0.000 2.585 250 F HA 0.649 5.176 4.527 -0.000 0.000 0.319 250 F C -1.588 174.091 175.800 -0.201 0.000 1.165 250 F CA -1.133 56.807 58.000 -0.099 0.000 0.949 250 F CB 1.975 40.934 39.000 -0.069 0.000 1.218 250 F HN -0.122 nan 8.300 nan 0.000 0.453 251 V N 5.313 124.799 119.914 -0.714 0.000 2.409 251 V HA 0.274 4.394 4.120 -0.000 0.000 0.291 251 V C -0.330 175.217 176.094 -0.912 0.000 1.020 251 V CA -0.829 61.010 62.300 -0.768 0.000 0.848 251 V CB 1.629 32.834 31.823 -1.031 0.000 0.990 251 V HN 0.723 nan 8.190 nan 0.000 0.430 252 E N 4.569 124.516 120.200 -0.421 0.000 2.070 252 E HA 0.141 4.491 4.350 -0.000 0.000 0.282 252 E C -1.073 175.336 176.600 -0.319 0.000 1.104 252 E CA -0.517 55.780 56.400 -0.172 0.000 0.876 252 E CB 0.438 30.201 29.700 0.105 0.000 1.055 252 E HN 0.620 nan 8.360 nan 0.000 0.401 253 W N 3.045 124.255 121.300 -0.149 0.000 2.218 253 W HA 0.147 4.807 4.660 -0.000 0.000 0.326 253 W C 0.606 177.161 176.519 0.060 0.000 1.276 253 W CA -0.508 56.727 57.345 -0.183 0.000 1.210 253 W CB 1.000 30.113 29.460 -0.577 0.000 1.143 253 W HN 0.338 nan 8.180 nan 0.000 0.563 254 S N 1.530 117.439 115.700 0.348 0.000 2.645 254 S HA 0.647 5.117 4.470 -0.000 0.000 0.266 254 S C 0.116 175.148 174.600 0.720 0.000 1.258 254 S CA -0.543 57.929 58.200 0.454 0.000 0.990 254 S CB 1.175 64.650 63.200 0.457 0.000 0.967 254 S HN 0.518 nan 8.310 nan 0.000 0.556 255 S N -0.555 115.519 115.700 0.624 0.000 2.724 255 S HA 0.657 5.126 4.470 -0.000 0.000 0.278 255 S C 0.763 175.570 174.600 0.345 0.000 1.190 255 S CA -0.315 58.196 58.200 0.519 0.000 0.860 255 S CB 0.455 63.876 63.200 0.369 0.000 1.206 255 S HN 0.743 nan 8.310 nan 0.000 0.507 256 A N 1.580 124.494 122.820 0.157 0.000 1.958 256 A HA -0.206 4.114 4.320 -0.000 0.000 0.221 256 A C 1.998 179.633 177.584 0.085 0.000 1.178 256 A CA 2.232 54.319 52.037 0.084 0.000 0.642 256 A CB -1.554 17.461 19.000 0.026 0.000 0.816 256 A HN 0.856 nan 8.150 nan 0.000 0.453 257 N N -0.651 118.107 118.700 0.096 0.000 2.149 257 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 257 N C 1.553 177.088 175.510 0.041 0.000 1.019 257 N CA 1.993 55.072 53.050 0.048 0.000 0.857 257 N CB -0.225 38.304 38.487 0.069 0.000 0.997 257 N HN 0.474 nan 8.380 nan 0.000 0.426 258 T N 0.612 115.240 114.554 0.124 0.000 2.746 258 T HA -0.074 4.275 4.350 -0.000 0.000 0.267 258 T C 2.076 176.811 174.700 0.059 0.000 1.039 258 T CA 1.271 63.450 62.100 0.131 0.000 1.142 258 T CB -0.259 68.767 68.868 0.264 0.000 0.866 258 T HN 0.060 nan 8.240 nan 0.000 0.444 259 V N -0.458 119.478 119.914 0.036 0.000 2.358 259 V HA 0.126 4.246 4.120 -0.000 0.000 0.246 259 V C 0.530 176.581 176.094 -0.071 0.000 1.047 259 V CA 1.000 63.240 62.300 -0.099 0.000 1.035 259 V CB -0.396 31.325 31.823 -0.169 0.000 0.658 259 V HN 0.489 nan 8.190 nan 0.000 0.452 260 F N 0.930 120.753 119.950 -0.212 0.000 2.623 260 F HA 0.371 4.897 4.527 -0.000 0.000 0.323 260 F C 0.173 175.853 175.800 -0.200 0.000 1.158 260 F CA -1.670 56.173 58.000 -0.261 0.000 1.030 260 F CB 1.321 40.112 39.000 -0.348 0.000 1.280 260 F HN 0.154 nan 8.300 nan 0.000 0.474 261 D N 4.892 124.832 120.400 -0.766 0.000 2.371 261 D HA -0.054 4.586 4.640 -0.000 0.000 0.221 261 D C 1.226 177.233 176.300 -0.488 0.000 0.986 261 D CA 1.142 54.849 54.000 -0.489 0.000 0.899 261 D CB -0.029 40.543 40.800 -0.380 0.000 0.902 261 D HN 0.695 nan 8.370 nan 0.000 0.530 262 L N -2.052 118.677 121.223 -0.823 0.000 4.696 262 L HA -0.243 4.096 4.340 -0.000 0.000 0.425 262 L C -0.162 176.663 176.870 -0.075 0.000 1.115 262 L CA 0.485 55.162 54.840 -0.273 0.000 0.996 262 L CB -1.328 40.733 42.059 0.003 0.000 2.077 262 L HN 0.231 nan 8.230 nan 0.000 0.792 263 Q N 0.965 120.614 119.800 -0.252 0.000 2.352 263 Q HA 0.220 4.560 4.340 -0.000 0.000 0.260 263 Q C 0.378 176.439 176.000 0.101 0.000 0.976 263 Q CA -0.088 55.667 55.803 -0.080 0.000 0.881 263 Q CB 0.610 29.267 28.738 -0.135 0.000 1.235 263 Q HN 0.141 nan 8.270 nan 0.000 0.419 264 N N 1.883 120.631 118.700 0.081 0.000 2.441 264 N HA 0.120 4.860 4.740 -0.000 0.000 0.251 264 N C -0.293 175.269 175.510 0.086 0.000 1.242 264 N CA 0.350 53.451 53.050 0.085 0.000 0.898 264 N CB 0.617 39.058 38.487 -0.077 0.000 1.100 264 N HN 0.266 nan 8.380 nan 0.000 0.443 265 R N 0.987 121.560 120.500 0.120 0.000 2.744 265 R HA 0.482 4.822 4.340 -0.000 0.000 0.279 265 R C -2.500 173.823 176.300 0.038 0.000 0.977 265 R CA -1.596 54.558 56.100 0.090 0.000 0.906 265 R CB 1.905 32.290 30.300 0.143 0.000 1.197 265 R HN 0.363 nan 8.270 nan 0.000 0.463 266 P HA 0.124 nan 4.420 nan 0.000 0.272 266 P C -1.303 176.034 177.300 0.062 0.000 1.223 266 P CA -0.313 62.838 63.100 0.085 0.000 0.784 266 P CB 0.624 32.429 31.700 0.175 0.000 0.923 267 N N -1.478 117.252 118.700 0.050 0.000 2.853 267 N HA 0.249 4.989 4.740 -0.000 0.000 0.258 267 N C 0.522 176.046 175.510 0.023 0.000 1.444 267 N CA -0.775 52.291 53.050 0.026 0.000 0.837 267 N CB -0.521 37.968 38.487 0.003 0.000 1.489 267 N HN 0.031 nan 8.380 nan 0.000 0.529 268 T N -0.706 113.854 114.554 0.010 0.000 2.699 268 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 268 T C 0.409 175.111 174.700 0.003 0.000 1.036 268 T CA 1.767 63.871 62.100 0.007 0.000 1.147 268 T CB -0.449 68.418 68.868 -0.001 0.000 0.862 268 T HN 0.525 nan 8.240 nan 0.000 0.446 269 D N 0.684 121.080 120.400 -0.006 0.000 2.289 269 D HA 0.186 4.825 4.640 -0.000 0.000 0.207 269 D C 0.831 177.129 176.300 -0.003 0.000 0.966 269 D CA 0.449 54.442 54.000 -0.012 0.000 0.868 269 D CB 0.193 40.974 40.800 -0.032 0.000 0.943 269 D HN 0.384 nan 8.370 nan 0.000 0.514 270 A N 1.185 124.011 122.820 0.010 0.000 3.370 270 A HA 0.317 4.637 4.320 -0.000 0.000 0.295 270 A C -2.015 175.608 177.584 0.065 0.000 1.030 270 A CA -0.817 51.238 52.037 0.030 0.000 0.883 270 A CB 0.911 19.923 19.000 0.021 0.000 1.191 270 A HN -0.154 nan 8.150 nan 0.000 0.507 271 P HA -0.052 nan 4.420 nan 0.000 0.233 271 P C 0.452 177.874 177.300 0.203 0.000 1.167 271 P CA 1.098 64.263 63.100 0.108 0.000 0.770 271 P CB 0.477 32.216 31.700 0.066 0.000 0.837 272 E N -0.228 120.087 120.200 0.192 0.000 2.481 272 E HA 0.138 4.488 4.350 -0.000 0.000 0.198 272 E C 0.336 177.080 176.600 0.239 0.000 1.027 272 E CA 0.097 56.682 56.400 0.310 0.000 0.900 272 E CB 0.432 30.243 29.700 0.185 0.000 0.993 272 E HN 0.493 nan 8.360 nan 0.000 0.482 273 E N 0.909 121.184 120.200 0.124 0.000 2.250 273 E HA 0.461 4.811 4.350 -0.000 0.000 0.269 273 E C -0.200 176.370 176.600 -0.050 0.000 1.018 273 E CA -0.495 55.930 56.400 0.041 0.000 0.873 273 E CB 1.386 31.133 29.700 0.077 0.000 1.134 273 E HN -0.177 nan 8.360 nan 0.000 0.403 274 R N 1.808 122.271 120.500 -0.062 0.000 2.473 274 R HA 0.434 4.773 4.340 -0.000 0.000 0.303 274 R C -1.592 174.769 176.300 0.102 0.000 1.002 274 R CA -0.546 55.497 56.100 -0.095 0.000 0.884 274 R CB 1.010 31.144 30.300 -0.277 0.000 1.173 274 R HN 0.408 nan 8.270 nan 0.000 0.464 275 F N 2.210 122.123 119.950 -0.061 0.000 2.622 275 F HA 0.425 4.952 4.527 -0.000 0.000 0.318 275 F C -1.804 173.918 175.800 -0.130 0.000 1.135 275 F CA -0.640 57.325 58.000 -0.058 0.000 1.015 275 F CB 1.954 40.995 39.000 0.068 0.000 1.275 275 F HN 0.391 nan 8.300 nan 0.000 0.457 276 N N 4.695 122.678 118.700 -1.196 0.000 2.296 276 N HA 0.600 5.340 4.740 -0.000 0.000 0.294 276 N C -2.003 172.435 175.510 -1.787 0.000 1.033 276 N CA -0.653 51.633 53.050 -1.273 0.000 0.839 276 N CB 2.362 40.271 38.487 -0.964 0.000 1.395 276 N HN 0.602 nan 8.380 nan 0.000 0.479 277 L N 2.555 122.957 121.223 -1.369 0.000 2.282 277 L HA 0.633 4.973 4.340 -0.000 0.000 0.288 277 L C -1.637 174.669 176.870 -0.940 0.000 1.033 277 L CA -0.255 54.047 54.840 -0.896 0.000 0.807 277 L CB 0.131 42.031 42.059 -0.265 0.000 1.209 277 L HN 0.454 nan 8.230 nan 0.000 0.423 278 F N 6.498 126.193 119.950 -0.425 0.000 2.359 278 F HA 0.539 5.065 4.527 -0.000 0.000 0.370 278 F C -2.116 173.640 175.800 -0.073 0.000 1.077 278 F CA -2.111 55.741 58.000 -0.246 0.000 1.136 278 F CB 0.674 39.490 39.000 -0.307 0.000 1.387 278 F HN 0.419 nan 8.300 nan 0.000 0.468 279 P HA 0.310 nan 4.420 nan 0.000 0.276 279 P C -0.051 177.311 177.300 0.103 0.000 1.252 279 P CA -0.263 62.885 63.100 0.079 0.000 0.802 279 P CB 1.088 32.811 31.700 0.038 0.000 1.035 280 A N -0.637 122.227 122.820 0.074 0.000 2.791 280 A HA -0.097 4.223 4.320 -0.000 0.000 0.292 280 A C -0.079 177.541 177.584 0.061 0.000 1.487 280 A CA 0.687 52.760 52.037 0.059 0.000 0.760 280 A CB -2.398 16.636 19.000 0.056 0.000 1.031 280 A HN 0.264 nan 8.150 nan 0.000 0.503 281 V N -0.111 119.854 119.914 0.086 0.000 2.409 281 V HA 0.650 4.770 4.120 -0.000 0.000 0.290 281 V C 0.654 176.756 176.094 0.013 0.000 1.017 281 V CA -0.347 62.001 62.300 0.079 0.000 0.841 281 V CB 1.510 33.468 31.823 0.225 0.000 1.003 281 V HN 1.508 nan 8.190 nan 0.000 0.426 282 A N 4.342 127.142 122.820 -0.032 0.000 2.444 282 A HA 0.382 4.701 4.320 -0.000 0.000 0.273 282 A C 0.232 177.790 177.584 -0.043 0.000 1.136 282 A CA -0.088 51.918 52.037 -0.052 0.000 0.799 282 A CB -0.274 18.733 19.000 0.012 0.000 1.081 282 A HN 0.873 nan 8.150 nan 0.000 0.509 283 C N 2.978 122.230 119.300 -0.081 0.000 2.415 283 C HA 0.343 4.802 4.460 -0.000 0.000 0.369 283 C C 1.380 176.336 174.990 -0.057 0.000 1.279 283 C CA -0.317 58.642 59.018 -0.099 0.000 1.886 283 C CB -0.287 27.387 27.740 -0.111 0.000 2.468 283 C HN 0.998 nan 8.230 nan 0.000 0.553 284 E N 1.182 121.365 120.200 -0.027 0.000 2.290 284 E HA 0.091 4.441 4.350 -0.000 0.000 0.199 284 E C 0.476 177.051 176.600 -0.043 0.000 0.912 284 E CA 0.300 56.691 56.400 -0.015 0.000 0.924 284 E CB 0.479 30.194 29.700 0.025 0.000 0.901 284 E HN 0.782 nan 8.360 nan 0.000 0.487 285 R N 0.096 120.568 120.500 -0.046 0.000 2.690 285 R HA 0.419 4.759 4.340 -0.000 0.000 0.269 285 R C -0.914 175.323 176.300 -0.105 0.000 1.037 285 R CA -0.790 55.256 56.100 -0.090 0.000 0.877 285 R CB 1.037 31.261 30.300 -0.126 0.000 1.255 285 R HN -0.072 nan 8.270 nan 0.000 0.467 286 V N -0.614 119.228 119.914 -0.120 0.000 2.532 286 V HA 0.670 4.790 4.120 -0.000 0.000 0.295 286 V C -0.083 175.907 176.094 -0.172 0.000 1.041 286 V CA -0.869 61.332 62.300 -0.166 0.000 0.926 286 V CB 1.728 33.426 31.823 -0.208 0.000 0.992 286 V HN 0.503 nan 8.190 nan 0.000 0.457 287 V N 5.151 124.947 119.914 -0.196 0.000 2.370 287 V HA 0.480 4.600 4.120 -0.000 0.000 0.279 287 V C 0.549 176.590 176.094 -0.089 0.000 1.029 287 V CA -0.481 61.722 62.300 -0.163 0.000 0.870 287 V CB 0.982 32.718 31.823 -0.145 0.000 0.984 287 V HN 0.945 nan 8.190 nan 0.000 0.451 288 R N 3.683 124.149 120.500 -0.057 0.000 2.490 288 R HA 0.321 4.660 4.340 -0.000 0.000 0.278 288 R C 0.330 176.653 176.300 0.039 0.000 1.069 288 R CA -0.598 55.541 56.100 0.066 0.000 1.080 288 R CB 0.681 30.998 30.300 0.030 0.000 1.030 288 R HN 0.863 nan 8.270 nan 0.000 0.491 289 N N 1.322 120.063 118.700 0.068 0.000 2.317 289 N HA 0.002 4.742 4.740 -0.000 0.000 0.245 289 N C 0.545 176.047 175.510 -0.012 0.000 1.294 289 N CA 0.111 53.171 53.050 0.016 0.000 0.924 289 N CB 0.417 38.911 38.487 0.012 0.000 1.186 289 N HN 0.571 nan 8.380 nan 0.000 0.495 290 A N 0.266 123.073 122.820 -0.022 0.000 1.972 290 A HA -0.058 4.261 4.320 -0.000 0.000 0.219 290 A C 2.165 179.721 177.584 -0.048 0.000 1.169 290 A CA 0.948 52.966 52.037 -0.032 0.000 0.635 290 A CB -0.826 18.159 19.000 -0.025 0.000 0.810 290 A HN 0.643 nan 8.150 nan 0.000 0.446 291 L N -0.576 120.609 121.223 -0.062 0.000 2.610 291 L HA -0.028 4.312 4.340 -0.000 0.000 0.232 291 L C 0.015 176.791 176.870 -0.156 0.000 1.149 291 L CA -0.063 54.724 54.840 -0.090 0.000 0.872 291 L CB -0.493 41.515 42.059 -0.086 0.000 0.992 291 L HN 0.398 nan 8.230 nan 0.000 0.447 292 N N 0.277 118.877 118.700 -0.167 0.000 2.714 292 N HA -0.193 4.547 4.740 -0.000 0.000 0.252 292 N C 0.945 175.895 175.510 -0.933 0.000 1.014 292 N CA 1.065 53.920 53.050 -0.325 0.000 0.735 292 N CB -1.029 37.405 38.487 -0.088 0.000 0.924 292 N HN 0.547 nan 8.380 nan 0.000 0.540 293 S N -2.088 113.172 115.700 -0.734 0.000 2.632 293 S HA 0.240 4.710 4.470 -0.000 0.000 0.237 293 S C 0.289 174.619 174.600 -0.450 0.000 1.037 293 S CA -0.194 57.609 58.200 -0.662 0.000 1.009 293 S CB 1.546 64.584 63.200 -0.271 0.000 0.974 293 S HN 0.399 nan 8.310 nan 0.000 0.544 294 E N 0.324 120.388 120.200 -0.227 0.000 2.375 294 E HA 0.421 4.771 4.350 -0.000 0.000 0.280 294 E C -1.613 175.184 176.600 0.328 0.000 0.972 294 E CA -0.866 55.629 56.400 0.159 0.000 0.782 294 E CB 1.344 31.109 29.700 0.107 0.000 1.229 294 E HN 0.102 nan 8.360 nan 0.000 0.439 295 I N 3.463 124.202 120.570 0.281 0.000 2.428 295 I HA 0.110 4.280 4.170 -0.000 0.000 0.289 295 I C 0.920 176.997 176.117 -0.067 0.000 1.019 295 I CA 0.163 61.445 61.300 -0.030 0.000 1.351 295 I CB 1.184 38.912 38.000 -0.453 0.000 1.412 295 I HN 0.691 nan 8.210 nan 0.000 0.513 296 E N 3.194 123.349 120.200 -0.074 0.000 2.389 296 E HA 0.085 4.435 4.350 -0.000 0.000 0.199 296 E C 0.299 176.956 176.600 0.095 0.000 0.978 296 E CA 0.320 56.752 56.400 0.053 0.000 0.912 296 E CB 0.610 30.344 29.700 0.058 0.000 0.907 296 E HN 0.734 nan 8.360 nan 0.000 0.494 297 S N -0.431 115.239 115.700 -0.051 0.000 2.643 297 S HA 0.498 4.968 4.470 -0.000 0.000 0.266 297 S C -1.638 172.988 174.600 0.043 0.000 1.130 297 S CA -1.070 57.214 58.200 0.140 0.000 0.817 297 S CB 1.224 64.553 63.200 0.214 0.000 1.107 297 S HN 0.013 nan 8.310 nan 0.000 0.471 298 L N 1.678 123.045 121.223 0.239 0.000 2.349 298 L HA 0.579 4.918 4.340 -0.000 0.000 0.278 298 L C -0.986 175.987 176.870 0.172 0.000 0.996 298 L CA -0.165 54.765 54.840 0.150 0.000 0.825 298 L CB 1.299 43.465 42.059 0.178 0.000 1.243 298 L HN 0.915 nan 8.230 nan 0.000 0.412 299 H N 6.327 125.358 119.070 -0.064 0.000 2.562 299 H HA 0.502 5.058 4.556 -0.000 0.000 0.314 299 H C -0.391 174.883 175.328 -0.090 0.000 1.079 299 H CA -0.420 55.593 56.048 -0.059 0.000 1.349 299 H CB 1.339 31.072 29.762 -0.048 0.000 1.432 299 H HN 0.695 nan 8.280 nan 0.000 0.479 300 I N 0.154 120.709 120.570 -0.025 0.000 2.846 300 I HA 0.410 4.579 4.170 -0.000 0.000 0.307 300 I C -0.796 175.381 176.117 0.099 0.000 1.053 300 I CA -0.936 60.326 61.300 -0.063 0.000 1.050 300 I CB 2.961 40.775 38.000 -0.309 0.000 1.239 300 I HN 0.583 nan 8.210 nan 0.000 0.439 301 H N 3.130 122.196 119.070 -0.008 0.000 2.906 301 H HA 0.232 4.787 4.556 -0.000 0.000 0.324 301 H C -1.529 173.842 175.328 0.072 0.000 0.973 301 H CA -0.710 55.358 56.048 0.034 0.000 1.321 301 H CB 1.446 31.225 29.762 0.028 0.000 1.535 301 H HN 0.778 nan 8.280 nan 0.000 0.518 302 D N 5.569 126.053 120.400 0.141 0.000 2.339 302 D HA 0.005 4.645 4.640 -0.000 0.000 0.256 302 D C 1.057 177.278 176.300 -0.131 0.000 1.214 302 D CA -0.079 53.958 54.000 0.061 0.000 0.877 302 D CB 1.046 41.975 40.800 0.214 0.000 1.111 302 D HN 0.682 nan 8.370 nan 0.000 0.478 303 L N 4.181 125.307 121.223 -0.162 0.000 2.395 303 L HA -0.081 4.259 4.340 -0.000 0.000 0.218 303 L C 1.795 178.628 176.870 -0.061 0.000 1.130 303 L CA 0.087 54.807 54.840 -0.200 0.000 0.826 303 L CB -0.027 41.982 42.059 -0.083 0.000 0.941 303 L HN 0.507 nan 8.230 nan 0.000 0.451 304 I N -0.595 119.973 120.570 -0.003 0.000 2.368 304 I HA -0.130 4.040 4.170 -0.000 0.000 0.238 304 I C 2.774 178.916 176.117 0.041 0.000 1.076 304 I CA 1.570 62.886 61.300 0.027 0.000 1.397 304 I CB -1.325 36.702 38.000 0.045 0.000 1.141 304 I HN 0.241 nan 8.210 nan 0.000 0.430 305 S N 0.898 116.638 115.700 0.066 0.000 2.423 305 S HA -0.025 4.445 4.470 -0.000 0.000 0.231 305 S C 1.914 176.562 174.600 0.080 0.000 1.014 305 S CA 1.197 59.446 58.200 0.081 0.000 0.965 305 S CB -0.464 62.809 63.200 0.122 0.000 0.785 305 S HN 0.674 nan 8.310 nan 0.000 0.495 306 G N 1.053 109.909 108.800 0.093 0.000 2.205 306 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.261 306 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.261 306 G C -0.295 174.711 174.900 0.176 0.000 0.980 306 G CA 0.251 45.453 45.100 0.171 0.000 0.632 306 G HN 0.591 nan 8.290 nan 0.000 0.533 307 D N 0.440 120.901 120.400 0.101 0.000 2.382 307 D HA 0.481 5.121 4.640 -0.000 0.000 0.240 307 D C 1.021 177.268 176.300 -0.090 0.000 1.146 307 D CA 0.346 54.295 54.000 -0.085 0.000 0.897 307 D CB 0.551 41.243 40.800 -0.179 0.000 1.197 307 D HN 0.439 nan 8.370 nan 0.000 0.432 308 R N 0.523 120.797 120.500 -0.378 0.000 2.711 308 R HA 0.644 4.983 4.340 -0.000 0.000 0.284 308 R C -0.798 175.132 176.300 -0.616 0.000 0.968 308 R CA -0.631 55.301 56.100 -0.280 0.000 0.924 308 R CB 1.356 31.537 30.300 -0.198 0.000 1.162 308 R HN 0.283 nan 8.270 nan 0.000 0.465 309 F N -0.102 119.764 119.950 -0.141 0.000 2.626 309 F HA 0.291 4.818 4.527 -0.000 0.000 0.311 309 F C -0.390 175.237 175.800 -0.287 0.000 1.088 309 F CA -1.030 56.865 58.000 -0.174 0.000 0.949 309 F CB 2.024 40.943 39.000 -0.135 0.000 1.322 309 F HN 0.435 nan 8.300 nan 0.000 0.461 310 E N 2.172 122.323 120.200 -0.082 0.000 2.145 310 E HA 0.556 4.906 4.350 -0.000 0.000 0.270 310 E C -1.366 175.255 176.600 0.034 0.000 0.906 310 E CA -0.667 55.639 56.400 -0.157 0.000 0.761 310 E CB 1.675 31.226 29.700 -0.249 0.000 1.116 310 E HN 0.294 nan 8.360 nan 0.000 0.408 311 I N 2.790 123.400 120.570 0.067 0.000 2.385 311 I HA 0.287 4.457 4.170 -0.000 0.000 0.294 311 I C 0.345 176.598 176.117 0.226 0.000 0.988 311 I CA -0.727 60.656 61.300 0.138 0.000 1.265 311 I CB 1.184 39.247 38.000 0.106 0.000 1.388 311 I HN 0.576 nan 8.210 nan 0.000 0.480 312 K N 4.070 124.593 120.400 0.205 0.000 2.164 312 K HA 0.839 5.159 4.320 -0.000 0.000 0.258 312 K C -0.821 175.856 176.600 0.128 0.000 0.951 312 K CA -0.510 55.907 56.287 0.218 0.000 0.844 312 K CB 2.648 35.237 32.500 0.149 0.000 1.099 312 K HN 0.818 nan 8.250 nan 0.000 0.435 313 A N 1.791 124.606 122.820 -0.009 0.000 2.609 313 A HA 0.314 4.634 4.320 -0.000 0.000 0.291 313 A C -0.394 177.064 177.584 -0.211 0.000 1.096 313 A CA -0.631 51.266 52.037 -0.232 0.000 0.684 313 A CB 1.029 19.671 19.000 -0.596 0.000 1.282 313 A HN 0.679 nan 8.150 nan 0.000 0.412 314 D N -0.471 119.854 120.400 -0.124 0.000 2.149 314 D HA 0.105 4.745 4.640 -0.000 0.000 0.201 314 D C 0.345 176.541 176.300 -0.174 0.000 0.972 314 D CA 1.685 55.676 54.000 -0.015 0.000 0.835 314 D CB 0.168 41.032 40.800 0.106 0.000 0.966 314 D HN 0.222 nan 8.370 nan 0.000 0.476 315 V N 0.554 120.212 119.914 -0.427 0.000 2.638 315 V HA 0.287 4.407 4.120 -0.000 0.000 0.306 315 V C -1.301 174.526 176.094 -0.445 0.000 1.052 315 V CA -0.869 61.177 62.300 -0.424 0.000 0.885 315 V CB 1.908 33.355 31.823 -0.627 0.000 0.999 315 V HN -0.063 nan 8.190 nan 0.000 0.424 316 Y N 2.900 123.188 120.300 -0.020 0.000 2.331 316 Y HA 0.700 5.250 4.550 -0.000 0.000 0.334 316 Y C -0.136 175.730 175.900 -0.057 0.000 0.960 316 Y CA -0.861 57.217 58.100 -0.036 0.000 1.130 316 Y CB 2.163 40.608 38.460 -0.025 0.000 1.164 316 Y HN 0.353 nan 8.280 nan 0.000 0.458 317 V N 5.458 125.342 119.914 -0.051 0.000 2.540 317 V HA 0.435 4.555 4.120 -0.000 0.000 0.302 317 V C -0.539 175.423 176.094 -0.221 0.000 1.035 317 V CA -0.921 61.235 62.300 -0.240 0.000 0.873 317 V CB 1.919 33.391 31.823 -0.585 0.000 0.992 317 V HN 0.589 nan 8.190 nan 0.000 0.428 318 L N 5.011 126.095 121.223 -0.231 0.000 2.294 318 L HA 0.571 4.911 4.340 -0.000 0.000 0.283 318 L C 0.196 176.959 176.870 -0.179 0.000 1.015 318 L CA -0.233 54.497 54.840 -0.183 0.000 0.831 318 L CB 1.778 43.708 42.059 -0.214 0.000 1.217 318 L HN 0.815 nan 8.230 nan 0.000 0.420 319 T N -1.662 112.822 114.554 -0.116 0.000 3.584 319 T HA 0.328 4.678 4.350 -0.000 0.000 0.259 319 T C 0.649 175.352 174.700 0.003 0.000 1.009 319 T CA -0.132 61.941 62.100 -0.046 0.000 1.103 319 T CB 0.982 69.824 68.868 -0.044 0.000 1.099 319 T HN 0.526 nan 8.240 nan 0.000 0.539 320 A N 0.847 123.676 122.820 0.016 0.000 2.337 320 A HA 0.755 5.075 4.320 -0.000 0.000 0.227 320 A C 1.386 179.039 177.584 0.116 0.000 1.259 320 A CA 0.093 52.161 52.037 0.052 0.000 0.870 320 A CB -0.832 18.195 19.000 0.045 0.000 0.927 320 A HN 1.691 nan 8.150 nan 0.000 0.497 321 G N -2.564 106.307 108.800 0.119 0.000 2.699 321 G HA2 0.256 4.216 3.960 -0.000 0.000 0.686 321 G HA3 0.256 4.216 3.960 -0.000 0.000 0.686 321 G C 0.759 175.766 174.900 0.178 0.000 1.301 321 G CA -0.307 44.880 45.100 0.144 0.000 0.816 321 G HN 1.298 nan 8.290 nan 0.000 0.595 322 A N -0.268 122.644 122.820 0.154 0.000 1.940 322 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 322 A C 2.647 180.319 177.584 0.147 0.000 1.176 322 A CA 3.276 55.396 52.037 0.139 0.000 0.631 322 A CB -0.351 18.700 19.000 0.086 0.000 0.814 322 A HN 1.596 nan 8.150 nan 0.000 0.446 323 V N -1.143 118.819 119.914 0.081 0.000 2.379 323 V HA -0.175 3.944 4.120 -0.000 0.000 0.243 323 V C 2.231 178.284 176.094 -0.068 0.000 1.035 323 V CA 2.112 64.406 62.300 -0.010 0.000 1.035 323 V CB -0.983 30.735 31.823 -0.175 0.000 0.673 323 V HN 0.724 nan 8.190 nan 0.000 0.457 324 H N -0.030 119.111 119.070 0.118 0.000 2.462 324 H HA -0.038 4.518 4.556 -0.000 0.000 0.292 324 H C 2.260 177.580 175.328 -0.014 0.000 1.049 324 H CA 1.158 57.228 56.048 0.038 0.000 1.334 324 H CB 0.053 29.817 29.762 0.004 0.000 1.404 324 H HN 0.318 nan 8.280 nan 0.000 0.544 325 N N -0.305 118.455 118.700 0.100 0.000 2.120 325 N HA -0.112 4.628 4.740 -0.000 0.000 0.188 325 N C 1.712 177.193 175.510 -0.049 0.000 1.024 325 N CA 1.633 54.674 53.050 -0.015 0.000 0.852 325 N CB -0.398 38.051 38.487 -0.063 0.000 1.003 325 N HN 0.327 nan 8.380 nan 0.000 0.424 326 T N 0.773 115.369 114.554 0.070 0.000 2.777 326 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 326 T C 1.854 176.404 174.700 -0.250 0.000 1.040 326 T CA 0.989 63.130 62.100 0.069 0.000 1.141 326 T CB -0.148 68.912 68.868 0.319 0.000 0.868 326 T HN 0.339 nan 8.240 nan 0.000 0.444 327 Q N 0.364 119.898 119.800 -0.444 0.000 2.061 327 Q HA -0.064 4.276 4.340 -0.000 0.000 0.204 327 Q C 2.307 178.028 176.000 -0.465 0.000 0.984 327 Q CA 1.222 56.463 55.803 -0.936 0.000 0.846 327 Q CB -0.280 28.209 28.738 -0.415 0.000 0.902 327 Q HN 0.493 nan 8.270 nan 0.000 0.421 328 L N 0.193 121.278 121.223 -0.230 0.000 2.093 328 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 328 L C 2.156 178.934 176.870 -0.153 0.000 1.085 328 L CA 0.786 55.531 54.840 -0.158 0.000 0.755 328 L CB -0.071 41.918 42.059 -0.117 0.000 0.904 328 L HN 0.328 nan 8.230 nan 0.000 0.435 329 L N -1.376 119.738 121.223 -0.182 0.000 2.056 329 L HA -0.205 4.134 4.340 -0.000 0.000 0.207 329 L C 2.442 179.332 176.870 0.034 0.000 1.078 329 L CA 0.861 55.622 54.840 -0.133 0.000 0.749 329 L CB -0.545 41.329 42.059 -0.309 0.000 0.901 329 L HN 0.086 nan 8.230 nan 0.000 0.433 330 V N -0.048 119.813 119.914 -0.089 0.000 2.427 330 V HA -0.255 3.864 4.120 -0.000 0.000 0.248 330 V C 2.079 178.140 176.094 -0.054 0.000 1.051 330 V CA 1.909 64.183 62.300 -0.043 0.000 1.048 330 V CB -0.684 31.076 31.823 -0.105 0.000 0.666 330 V HN 0.479 nan 8.190 nan 0.000 0.456 331 N N -0.009 118.616 118.700 -0.126 0.000 2.520 331 N HA -0.100 4.640 4.740 -0.000 0.000 0.185 331 N C 1.507 176.981 175.510 -0.060 0.000 1.068 331 N CA 1.094 54.092 53.050 -0.087 0.000 0.911 331 N CB -0.032 38.392 38.487 -0.106 0.000 0.961 331 N HN 0.384 nan 8.380 nan 0.000 0.446 332 S N -1.686 114.002 115.700 -0.021 0.000 2.540 332 S HA 0.334 4.804 4.470 -0.000 0.000 0.218 332 S C 1.036 175.586 174.600 -0.083 0.000 0.977 332 S CA 0.231 58.416 58.200 -0.024 0.000 0.918 332 S CB 0.691 63.939 63.200 0.080 0.000 0.806 332 S HN 0.526 nan 8.310 nan 0.000 0.496 333 G N 1.072 109.835 108.800 -0.061 0.000 2.159 333 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.227 333 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.227 333 G C -0.079 174.702 174.900 -0.198 0.000 0.986 333 G CA -0.579 44.436 45.100 -0.142 0.000 0.651 333 G HN 0.404 nan 8.290 nan 0.000 0.523 334 F N 0.831 120.739 119.950 -0.070 0.000 2.370 334 F HA 0.557 5.084 4.527 -0.000 0.000 0.324 334 F C 1.629 177.429 175.800 -0.000 0.000 1.116 334 F CA 0.942 58.914 58.000 -0.045 0.000 1.123 334 F CB 0.971 39.913 39.000 -0.095 0.000 1.238 334 F HN 0.752 nan 8.300 nan 0.000 0.536 335 G N 1.718 110.657 108.800 0.231 0.000 2.582 335 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.288 335 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.288 335 G C -0.757 174.214 174.900 0.119 0.000 1.247 335 G CA 0.199 45.402 45.100 0.171 0.000 0.972 335 G HN 0.862 nan 8.290 nan 0.000 0.557 336 Q N -1.218 118.658 119.800 0.127 0.000 2.305 336 Q HA 0.641 4.981 4.340 -0.000 0.000 0.271 336 Q C -1.028 175.053 176.000 0.135 0.000 1.046 336 Q CA -1.013 54.846 55.803 0.093 0.000 0.798 336 Q CB 1.787 30.560 28.738 0.059 0.000 1.286 336 Q HN 0.886 nan 8.270 nan 0.000 0.435 337 L N 3.350 124.641 121.223 0.113 0.000 2.395 337 L HA 0.792 5.132 4.340 -0.000 0.000 0.269 337 L C 0.321 177.270 176.870 0.133 0.000 1.133 337 L CA 1.883 56.818 54.840 0.158 0.000 0.812 337 L CB 1.082 43.208 42.059 0.112 0.000 1.125 337 L HN 0.860 nan 8.230 nan 0.000 0.452 338 G N 3.482 112.414 108.800 0.220 0.000 2.710 338 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.668 338 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.668 338 G C -0.560 174.233 174.900 -0.178 0.000 1.320 338 G CA -0.254 44.928 45.100 0.135 0.000 0.860 338 G HN 0.922 nan 8.290 nan 0.000 0.538 339 R N 0.673 120.841 120.500 -0.553 0.000 2.538 339 R HA 0.338 4.677 4.340 -0.000 0.000 0.282 339 R C -1.942 173.914 176.300 -0.741 0.000 1.009 339 R CA -0.488 54.845 56.100 -1.279 0.000 1.063 339 R CB -0.043 29.776 30.300 -0.800 0.000 0.945 339 R HN 0.333 nan 8.270 nan 0.000 0.414 340 P HA -0.066 nan 4.420 nan 0.000 0.262 340 P C -1.301 175.837 177.300 -0.271 0.000 1.182 340 P CA 0.511 63.369 63.100 -0.404 0.000 0.761 340 P CB 0.357 31.834 31.700 -0.371 0.000 0.795 341 N N 4.204 122.804 118.700 -0.167 0.000 2.609 341 N HA 0.170 4.910 4.740 -0.000 0.000 0.268 341 N C -1.892 173.574 175.510 -0.074 0.000 1.106 341 N CA -1.905 51.073 53.050 -0.119 0.000 0.823 341 N CB 1.430 39.853 38.487 -0.107 0.000 1.263 341 N HN 0.149 nan 8.380 nan 0.000 0.533 342 P HA -0.029 nan 4.420 nan 0.000 0.230 342 P C 0.905 178.188 177.300 -0.028 0.000 1.158 342 P CA 0.524 63.600 63.100 -0.041 0.000 0.769 342 P CB 0.288 31.964 31.700 -0.041 0.000 0.807 343 A N -0.484 122.317 122.820 -0.032 0.000 2.168 343 A HA -0.036 4.283 4.320 -0.000 0.000 0.215 343 A C 1.461 179.033 177.584 -0.020 0.000 1.152 343 A CA 0.688 52.711 52.037 -0.024 0.000 0.716 343 A CB -0.673 18.312 19.000 -0.026 0.000 0.794 343 A HN 0.126 nan 8.150 nan 0.000 0.465 344 N N 0.193 118.880 118.700 -0.023 0.000 2.703 344 N HA 0.241 4.981 4.740 -0.000 0.000 0.283 344 N C -3.261 172.243 175.510 -0.010 0.000 1.851 344 N CA -1.093 51.946 53.050 -0.017 0.000 0.826 344 N CB 0.728 39.202 38.487 -0.023 0.000 1.239 344 N HN 0.036 nan 8.380 nan 0.000 0.495 345 P HA 0.175 nan 4.420 nan 0.000 0.269 345 P C -2.399 174.912 177.300 0.018 0.000 1.209 345 P CA -0.575 62.532 63.100 0.011 0.000 0.776 345 P CB 0.140 31.850 31.700 0.017 0.000 0.876 346 P HA 0.106 nan 4.420 nan 0.000 0.274 346 P C 0.637 177.960 177.300 0.039 0.000 1.231 346 P CA -0.088 63.034 63.100 0.036 0.000 0.790 346 P CB 1.082 32.819 31.700 0.061 0.000 0.951 347 E N 0.289 120.504 120.200 0.025 0.000 2.077 347 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 347 E C 0.186 176.817 176.600 0.052 0.000 0.989 347 E CA 0.927 57.342 56.400 0.024 0.000 0.800 347 E CB 0.040 29.740 29.700 -0.000 0.000 0.746 347 E HN 0.417 nan 8.360 nan 0.000 0.452 348 L N 0.646 121.911 121.223 0.070 0.000 2.346 348 L HA 0.292 4.632 4.340 -0.000 0.000 0.276 348 L C 0.043 177.042 176.870 0.215 0.000 1.006 348 L CA -0.757 54.172 54.840 0.148 0.000 0.817 348 L CB 1.841 43.964 42.059 0.106 0.000 1.272 348 L HN 0.062 nan 8.230 nan 0.000 0.421 349 L N 3.182 124.555 121.223 0.250 0.000 3.823 349 L HA -0.183 4.157 4.340 -0.000 0.000 0.525 349 L C -1.431 175.552 176.870 0.187 0.000 1.247 349 L CA -0.491 54.491 54.840 0.237 0.000 0.776 349 L CB -0.857 41.362 42.059 0.267 0.000 1.443 349 L HN 0.606 nan 8.230 nan 0.000 0.831 350 P HA -0.112 nan 4.420 nan 0.000 0.225 350 P C 1.230 178.628 177.300 0.163 0.000 1.148 350 P CA 1.027 64.206 63.100 0.132 0.000 0.779 350 P CB 0.337 32.097 31.700 0.100 0.000 0.780 351 S N -0.594 115.223 115.700 0.195 0.000 2.593 351 S HA 0.066 4.536 4.470 -0.000 0.000 0.217 351 S C 0.846 175.604 174.600 0.263 0.000 0.966 351 S CA -0.413 57.949 58.200 0.270 0.000 0.914 351 S CB -0.694 62.657 63.200 0.252 0.000 0.776 351 S HN 0.078 nan 8.310 nan 0.000 0.523 352 L N 2.201 123.555 121.223 0.219 0.000 2.513 352 L HA 0.418 4.757 4.340 -0.000 0.000 0.272 352 L C 1.153 178.160 176.870 0.228 0.000 1.187 352 L CA 1.208 56.177 54.840 0.216 0.000 0.895 352 L CB -0.236 41.934 42.059 0.187 0.000 1.147 352 L HN 0.323 nan 8.230 nan 0.000 0.483 353 G N 2.357 111.301 108.800 0.240 0.000 2.179 353 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.260 353 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.260 353 G C 0.424 175.445 174.900 0.201 0.000 0.977 353 G CA 0.332 45.571 45.100 0.233 0.000 0.641 353 G HN 0.839 nan 8.290 nan 0.000 0.533 354 S N -1.521 114.305 115.700 0.210 0.000 2.718 354 S HA 0.657 5.127 4.470 -0.000 0.000 0.300 354 S C 0.360 175.103 174.600 0.239 0.000 1.117 354 S CA 0.119 58.385 58.200 0.110 0.000 1.002 354 S CB 0.920 64.099 63.200 -0.035 0.000 1.092 354 S HN 0.931 nan 8.310 nan 0.000 0.542 355 Y N -0.993 119.375 120.300 0.114 0.000 4.272 355 Y HA -0.197 4.353 4.550 -0.000 0.000 0.232 355 Y C 0.489 176.469 175.900 0.135 0.000 1.149 355 Y CA 0.183 58.348 58.100 0.108 0.000 1.961 355 Y CB -2.162 36.358 38.460 0.099 0.000 1.611 355 Y HN 0.616 nan 8.280 nan 0.000 0.682 356 I N 0.033 120.751 120.570 0.247 0.000 2.634 356 I HA 0.480 4.650 4.170 -0.000 0.000 0.284 356 I C 0.659 176.946 176.117 0.285 0.000 1.124 356 I CA 0.449 61.899 61.300 0.250 0.000 1.417 356 I CB 1.296 39.442 38.000 0.244 0.000 1.396 356 I HN 0.204 nan 8.210 nan 0.000 0.571 357 T N 1.866 116.551 114.554 0.218 0.000 2.876 357 T HA 0.677 5.026 4.350 -0.000 0.000 0.289 357 T C -0.663 174.082 174.700 0.075 0.000 1.014 357 T CA -0.693 61.526 62.100 0.198 0.000 0.986 357 T CB 2.128 71.053 68.868 0.095 0.000 1.021 357 T HN 0.810 nan 8.240 nan 0.000 0.458 358 E N 1.083 121.317 120.200 0.058 0.000 2.314 358 E HA 0.344 4.693 4.350 -0.000 0.000 0.272 358 E C -1.055 175.686 176.600 0.236 0.000 0.884 358 E CA -0.577 55.816 56.400 -0.012 0.000 0.753 358 E CB 2.040 31.514 29.700 -0.377 0.000 1.213 358 E HN 0.712 nan 8.360 nan 0.000 0.432 359 Q N 1.145 121.089 119.800 0.239 0.000 2.327 359 Q HA 0.407 4.747 4.340 -0.000 0.000 0.254 359 Q C -0.371 175.858 176.000 0.381 0.000 0.952 359 Q CA -0.284 55.709 55.803 0.317 0.000 0.884 359 Q CB 1.125 30.085 28.738 0.369 0.000 1.224 359 Q HN 0.455 nan 8.270 nan 0.000 0.422 360 S N 1.557 117.404 115.700 0.245 0.000 2.564 360 S HA 0.318 4.787 4.470 -0.000 0.000 0.278 360 S C -0.636 174.017 174.600 0.088 0.000 1.333 360 S CA -0.478 57.719 58.200 -0.005 0.000 1.048 360 S CB 0.397 63.474 63.200 -0.204 0.000 0.900 360 S HN 0.377 nan 8.310 nan 0.000 0.505 361 L N 4.481 125.724 121.223 0.033 0.000 2.409 361 L HA 0.688 5.028 4.340 -0.000 0.000 0.272 361 L C -0.756 175.966 176.870 -0.246 0.000 0.980 361 L CA -0.676 54.078 54.840 -0.144 0.000 0.826 361 L CB 1.565 43.512 42.059 -0.188 0.000 1.268 361 L HN 0.477 nan 8.230 nan 0.000 0.407 362 V N 2.053 121.737 119.914 -0.383 0.000 2.769 362 V HA 0.761 4.881 4.120 -0.000 0.000 0.312 362 V C -0.859 175.081 176.094 -0.257 0.000 1.058 362 V CA -0.682 61.312 62.300 -0.511 0.000 0.952 362 V CB 1.648 32.985 31.823 -0.811 0.000 1.019 362 V HN 0.825 nan 8.190 nan 0.000 0.445 363 F N 4.002 123.725 119.950 -0.378 0.000 2.619 363 F HA 0.856 5.383 4.527 -0.000 0.000 0.308 363 F C -0.448 175.208 175.800 -0.240 0.000 1.097 363 F CA -0.193 57.663 58.000 -0.240 0.000 0.953 363 F CB 1.481 40.380 39.000 -0.167 0.000 1.287 363 F HN 1.215 nan 8.300 nan 0.000 0.446 364 C N 2.601 121.221 119.300 -1.134 0.000 3.320 364 C HA 0.794 5.254 4.460 -0.000 0.000 0.335 364 C C -1.741 172.655 174.990 -0.991 0.000 1.430 364 C CA -0.692 57.641 59.018 -1.141 0.000 1.271 364 C CB 1.657 29.008 27.740 -0.649 0.000 1.609 364 C HN 0.996 nan 8.230 nan 0.000 0.457 365 Q N 0.534 120.011 119.800 -0.538 0.000 2.387 365 Q HA 0.767 5.106 4.340 -0.000 0.000 0.273 365 Q C -0.506 175.522 176.000 0.048 0.000 1.089 365 Q CA -0.247 55.473 55.803 -0.139 0.000 0.824 365 Q CB 2.711 31.358 28.738 -0.152 0.000 1.367 365 Q HN 0.936 nan 8.270 nan 0.000 0.443 366 T N -2.520 112.140 114.554 0.178 0.000 2.932 366 T HA 0.704 5.054 4.350 -0.000 0.000 0.289 366 T C -0.516 174.236 174.700 0.088 0.000 1.039 366 T CA -0.724 61.444 62.100 0.113 0.000 1.024 366 T CB 1.245 70.192 68.868 0.132 0.000 1.090 366 T HN 0.259 nan 8.240 nan 0.000 0.496 367 V N 2.588 122.521 119.914 0.031 0.000 2.384 367 V HA 0.402 4.522 4.120 -0.000 0.000 0.287 367 V C 0.278 176.378 176.094 0.010 0.000 1.020 367 V CA -0.923 61.388 62.300 0.018 0.000 0.850 367 V CB 1.214 33.037 31.823 0.001 0.000 0.987 367 V HN 1.024 nan 8.190 nan 0.000 0.436 368 M N 4.731 124.344 119.600 0.022 0.000 2.245 368 M HA 0.101 4.581 4.480 -0.000 0.000 0.335 368 M C 0.863 177.165 176.300 0.003 0.000 1.155 368 M CA 0.708 56.023 55.300 0.024 0.000 1.055 368 M CB 0.660 33.273 32.600 0.021 0.000 1.670 368 M HN 0.919 nan 8.290 nan 0.000 0.447 369 S N 2.491 118.190 115.700 -0.001 0.000 2.572 369 S HA 0.082 4.552 4.470 -0.000 0.000 0.279 369 S C 0.985 175.582 174.600 -0.004 0.000 1.341 369 S CA -0.139 58.051 58.200 -0.016 0.000 1.043 369 S CB 0.594 63.779 63.200 -0.024 0.000 0.887 369 S HN 0.811 nan 8.310 nan 0.000 0.516 370 T N 2.053 116.601 114.554 -0.009 0.000 2.699 370 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 370 T C 1.637 176.341 174.700 0.007 0.000 1.036 370 T CA 1.940 64.039 62.100 -0.001 0.000 1.147 370 T CB -0.482 68.383 68.868 -0.006 0.000 0.862 370 T HN 0.775 nan 8.240 nan 0.000 0.446 371 E N 0.436 120.637 120.200 0.001 0.000 2.058 371 E HA -0.090 4.259 4.350 -0.000 0.000 0.194 371 E C 2.276 178.890 176.600 0.025 0.000 0.997 371 E CA 0.963 57.367 56.400 0.007 0.000 0.801 371 E CB -0.254 29.444 29.700 -0.004 0.000 0.746 371 E HN 0.433 nan 8.360 nan 0.000 0.450 372 L N 0.739 121.978 121.223 0.028 0.000 2.056 372 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 372 L C 2.446 179.353 176.870 0.061 0.000 1.078 372 L CA 0.473 55.345 54.840 0.052 0.000 0.749 372 L CB -0.284 41.805 42.059 0.050 0.000 0.901 372 L HN 0.207 nan 8.230 nan 0.000 0.433 373 I N 0.037 120.630 120.570 0.038 0.000 2.163 373 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 373 I C 2.194 178.340 176.117 0.049 0.000 1.085 373 I CA 1.567 62.887 61.300 0.033 0.000 1.347 373 I CB -1.134 36.876 38.000 0.016 0.000 1.044 373 I HN 0.293 nan 8.210 nan 0.000 0.408 374 D N 0.668 121.095 120.400 0.045 0.000 2.149 374 D HA -0.151 4.489 4.640 -0.000 0.000 0.198 374 D C 2.368 178.714 176.300 0.078 0.000 0.990 374 D CA 1.724 55.755 54.000 0.051 0.000 0.839 374 D CB -0.161 40.661 40.800 0.036 0.000 0.948 374 D HN 0.382 nan 8.370 nan 0.000 0.460 375 S N 0.143 115.898 115.700 0.092 0.000 2.400 375 S HA -0.144 4.326 4.470 -0.000 0.000 0.232 375 S C 2.189 176.937 174.600 0.248 0.000 1.025 375 S CA 1.015 59.303 58.200 0.146 0.000 0.993 375 S CB -0.608 62.672 63.200 0.133 0.000 0.808 375 S HN 0.100 nan 8.310 nan 0.000 0.478 376 V N 3.088 123.125 119.914 0.204 0.000 2.392 376 V HA -0.183 3.937 4.120 -0.000 0.000 0.249 376 V C 2.297 178.529 176.094 0.230 0.000 1.059 376 V CA 2.203 64.650 62.300 0.244 0.000 1.051 376 V CB -0.871 31.001 31.823 0.082 0.000 0.658 376 V HN 0.841 nan 8.190 nan 0.000 0.455 377 K N 0.392 120.881 120.400 0.149 0.000 2.440 377 K HA 0.161 4.481 4.320 -0.000 0.000 0.206 377 K C 1.671 178.333 176.600 0.102 0.000 1.025 377 K CA 0.693 57.050 56.287 0.117 0.000 1.135 377 K CB 0.150 32.699 32.500 0.083 0.000 0.856 377 K HN 0.435 nan 8.250 nan 0.000 0.502 378 S N 1.058 116.833 115.700 0.125 0.000 2.400 378 S HA -0.174 4.296 4.470 -0.000 0.000 0.232 378 S C 0.987 175.605 174.600 0.030 0.000 1.025 378 S CA 1.342 59.581 58.200 0.065 0.000 0.993 378 S CB -0.292 62.930 63.200 0.037 0.000 0.808 378 S HN 0.315 nan 8.310 nan 0.000 0.478 379 D N 0.830 121.256 120.400 0.043 0.000 2.340 379 D HA 0.218 4.858 4.640 -0.000 0.000 0.220 379 D C 0.055 176.388 176.300 0.054 0.000 1.039 379 D CA 0.295 54.304 54.000 0.016 0.000 0.866 379 D CB -0.063 40.728 40.800 -0.015 0.000 0.913 379 D HN 0.365 nan 8.370 nan 0.000 0.523 380 M N 0.524 120.157 119.600 0.055 0.000 2.233 380 M HA 0.207 4.687 4.480 -0.000 0.000 0.355 380 M C 0.193 176.514 176.300 0.035 0.000 1.191 380 M CA -0.077 55.261 55.300 0.062 0.000 1.101 380 M CB 1.182 33.812 32.600 0.050 0.000 1.592 380 M HN -0.321 nan 8.290 nan 0.000 0.461 381 T N 4.828 119.398 114.554 0.026 0.000 2.767 381 T HA 0.636 4.985 4.350 -0.000 0.000 0.288 381 T C 0.156 174.824 174.700 -0.053 0.000 0.963 381 T CA -0.303 61.792 62.100 -0.009 0.000 1.019 381 T CB 0.412 69.272 68.868 -0.013 0.000 0.923 381 T HN 0.434 nan 8.240 nan 0.000 0.468 382 I N 3.988 124.521 120.570 -0.060 0.000 2.390 382 I HA 0.380 4.549 4.170 -0.000 0.000 0.283 382 I C 0.380 176.442 176.117 -0.093 0.000 1.016 382 I CA -0.621 60.606 61.300 -0.121 0.000 1.151 382 I CB 1.049 39.019 38.000 -0.051 0.000 1.293 382 I HN 0.295 nan 8.210 nan 0.000 0.458 383 R N 4.393 124.806 120.500 -0.145 0.000 2.346 383 R HA 0.754 5.093 4.340 -0.000 0.000 0.311 383 R C 0.417 176.708 176.300 -0.015 0.000 0.983 383 R CA -0.271 55.790 56.100 -0.065 0.000 0.880 383 R CB 1.793 32.058 30.300 -0.058 0.000 1.100 383 R HN 0.867 nan 8.270 nan 0.000 0.453 384 G N 1.056 109.896 108.800 0.067 0.000 2.615 384 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 384 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 384 G C -0.590 174.455 174.900 0.240 0.000 1.339 384 G CA -0.332 44.852 45.100 0.140 0.000 0.884 384 G HN 0.711 nan 8.290 nan 0.000 0.559 385 T N -0.777 113.906 114.554 0.214 0.000 2.829 385 T HA 0.718 5.067 4.350 -0.000 0.000 0.280 385 T C -2.693 171.949 174.700 -0.097 0.000 0.999 385 T CA -1.365 60.801 62.100 0.110 0.000 0.983 385 T CB 2.309 71.195 68.868 0.029 0.000 0.968 385 T HN 0.518 nan 8.240 nan 0.000 0.446 386 P HA 0.286 nan 4.420 nan 0.000 0.264 386 P C 1.214 178.258 177.300 -0.426 0.000 1.183 386 P CA 1.282 63.785 63.100 -0.994 0.000 0.763 386 P CB 0.242 31.538 31.700 -0.674 0.000 0.807 387 G N 1.452 110.043 108.800 -0.348 0.000 2.234 387 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.235 387 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.235 387 G C 0.083 174.937 174.900 -0.077 0.000 0.997 387 G CA -0.207 44.799 45.100 -0.157 0.000 0.623 387 G HN 0.551 nan 8.290 nan 0.000 0.514 388 E N 0.129 120.297 120.200 -0.054 0.000 2.222 388 E HA 0.571 4.921 4.350 -0.000 0.000 0.267 388 E C 1.513 178.140 176.600 0.046 0.000 0.963 388 E CA -1.022 55.379 56.400 0.003 0.000 0.837 388 E CB 0.833 30.538 29.700 0.010 0.000 1.183 388 E HN -0.018 nan 8.360 nan 0.000 0.403 389 L N 1.078 122.323 121.223 0.038 0.000 2.263 389 L HA -0.186 4.154 4.340 -0.000 0.000 0.216 389 L C 2.207 179.114 176.870 0.062 0.000 1.111 389 L CA 1.858 56.725 54.840 0.044 0.000 0.773 389 L CB -2.736 39.339 42.059 0.027 0.000 0.906 389 L HN 0.694 nan 8.230 nan 0.000 0.439 390 T N -3.343 111.254 114.554 0.072 0.000 2.708 390 T HA -0.238 4.112 4.350 -0.000 0.000 0.266 390 T C 1.029 175.793 174.700 0.106 0.000 1.037 390 T CA 0.015 62.159 62.100 0.074 0.000 1.146 390 T CB -0.925 67.983 68.868 0.066 0.000 0.865 390 T HN 0.132 nan 8.240 nan 0.000 0.435 391 Y N 2.633 122.932 120.300 -0.003 0.000 2.954 391 Y HA 0.239 4.789 4.550 -0.000 0.000 0.351 391 Y C 0.333 176.232 175.900 -0.002 0.000 1.282 391 Y CA 0.070 58.168 58.100 -0.002 0.000 1.614 391 Y CB -0.168 38.289 38.460 -0.006 0.000 1.183 391 Y HN 0.250 nan 8.280 nan 0.000 0.566 392 S N 4.268 119.725 115.700 -0.405 0.000 2.547 392 S HA 0.707 5.177 4.470 -0.000 0.000 0.281 392 S C -1.641 172.669 174.600 -0.484 0.000 1.118 392 S CA -0.774 57.227 58.200 -0.332 0.000 0.947 392 S CB 1.014 64.123 63.200 -0.153 0.000 1.053 392 S HN 0.407 nan 8.310 nan 0.000 0.482 393 V N 4.354 124.071 119.914 -0.329 0.000 2.407 393 V HA 0.668 4.787 4.120 -0.000 0.000 0.291 393 V C -0.004 176.061 176.094 -0.049 0.000 1.018 393 V CA -0.568 61.612 62.300 -0.199 0.000 0.842 393 V CB 1.245 32.986 31.823 -0.137 0.000 0.996 393 V HN 0.988 nan 8.190 nan 0.000 0.426 394 T N 1.737 116.285 114.554 -0.009 0.000 2.906 394 T HA 0.876 5.226 4.350 -0.000 0.000 0.295 394 T C -0.978 173.807 174.700 0.141 0.000 1.075 394 T CA -0.777 61.346 62.100 0.037 0.000 1.005 394 T CB 2.337 71.180 68.868 -0.041 0.000 1.136 394 T HN 0.750 nan 8.240 nan 0.000 0.498 395 Y N -1.749 118.539 120.300 -0.021 0.000 2.615 395 Y HA 0.761 5.310 4.550 -0.000 0.000 0.341 395 Y C -0.827 175.063 175.900 -0.016 0.000 1.089 395 Y CA -1.371 56.719 58.100 -0.016 0.000 1.049 395 Y CB 0.765 39.222 38.460 -0.005 0.000 1.296 395 Y HN 0.639 nan 8.280 nan 0.000 0.470 396 T N 4.187 118.730 114.554 -0.018 0.000 2.762 396 T HA 0.367 4.717 4.350 -0.000 0.000 0.303 396 T C -2.784 171.909 174.700 -0.011 0.000 0.977 396 T CA -1.303 60.739 62.100 -0.097 0.000 0.961 396 T CB 0.430 69.281 68.868 -0.028 0.000 0.944 396 T HN 0.364 nan 8.240 nan 0.000 0.481 397 P HA 0.219 nan 4.420 nan 0.000 0.264 397 P C 1.184 178.514 177.300 0.050 0.000 1.193 397 P CA 0.825 63.960 63.100 0.058 0.000 0.763 397 P CB 0.337 32.027 31.700 -0.018 0.000 0.810 398 G N 2.167 111.011 108.800 0.073 0.000 2.253 398 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.251 398 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.251 398 G C 0.536 175.444 174.900 0.014 0.000 0.998 398 G CA 0.038 45.159 45.100 0.035 0.000 0.621 398 G HN 0.859 nan 8.290 nan 0.000 0.524 399 A N 0.559 123.387 122.820 0.014 0.000 2.586 399 A HA 0.539 4.859 4.320 -0.000 0.000 0.231 399 A C 1.808 179.379 177.584 -0.021 0.000 1.055 399 A CA 1.649 53.684 52.037 -0.004 0.000 0.756 399 A CB 0.255 19.255 19.000 0.000 0.000 0.988 399 A HN 1.840 nan 8.150 nan 0.000 0.509 400 S N 0.358 116.041 115.700 -0.027 0.000 2.478 400 S HA -0.089 4.381 4.470 -0.000 0.000 0.222 400 S C 1.384 175.951 174.600 -0.056 0.000 1.008 400 S CA 1.213 59.390 58.200 -0.038 0.000 0.928 400 S CB -0.652 62.530 63.200 -0.030 0.000 0.781 400 S HN 1.017 nan 8.310 nan 0.000 0.518 401 T N 0.253 114.775 114.554 -0.053 0.000 3.085 401 T HA 0.148 4.498 4.350 -0.000 0.000 0.263 401 T C 0.489 175.129 174.700 -0.099 0.000 1.127 401 T CA -0.106 61.954 62.100 -0.068 0.000 1.103 401 T CB -0.704 68.133 68.868 -0.051 0.000 0.921 401 T HN 0.248 nan 8.240 nan 0.000 0.510 402 N N 2.561 121.203 118.700 -0.095 0.000 2.414 402 N HA 0.085 4.824 4.740 -0.000 0.000 0.268 402 N C 1.026 176.386 175.510 -0.251 0.000 1.286 402 N CA 0.007 52.973 53.050 -0.140 0.000 0.896 402 N CB 0.740 39.172 38.487 -0.091 0.000 1.093 402 N HN 0.300 nan 8.380 nan 0.000 0.480 403 K N 1.560 121.721 120.400 -0.398 0.000 2.365 403 K HA -0.020 4.300 4.320 -0.000 0.000 0.199 403 K C -0.060 175.962 176.600 -0.964 0.000 1.045 403 K CA 0.879 56.770 56.287 -0.660 0.000 0.962 403 K CB 0.084 32.098 32.500 -0.809 0.000 0.759 403 K HN 0.572 nan 8.250 nan 0.000 0.469 404 H N -0.201 118.553 119.070 -0.527 0.000 2.821 404 H HA 0.318 4.873 4.556 -0.000 0.000 0.373 404 H C -2.423 172.576 175.328 -0.549 0.000 1.165 404 H CA -2.552 53.010 56.048 -0.810 0.000 1.154 404 H CB 1.711 30.573 29.762 -1.501 0.000 1.765 404 H HN -0.144 nan 8.280 nan 0.000 0.549 405 P HA 0.042 nan 4.420 nan 0.000 0.274 405 P C 0.299 177.374 177.300 -0.375 0.000 1.246 405 P CA -0.263 62.632 63.100 -0.342 0.000 0.795 405 P CB 1.363 32.832 31.700 -0.385 0.000 1.006 406 D N 0.175 120.493 120.400 -0.136 0.000 2.117 406 D HA -0.138 4.501 4.640 -0.000 0.000 0.197 406 D C 1.930 178.218 176.300 -0.021 0.000 0.987 406 D CA 1.303 55.303 54.000 0.000 0.000 0.829 406 D CB -0.564 40.344 40.800 0.179 0.000 0.961 406 D HN 0.603 nan 8.370 nan 0.000 0.460 407 W N 0.373 121.744 121.300 0.118 0.000 2.342 407 W HA -0.168 4.491 4.660 -0.000 0.000 0.297 407 W C 1.954 178.544 176.519 0.120 0.000 1.213 407 W CA 0.302 57.712 57.345 0.108 0.000 1.251 407 W CB -1.388 28.130 29.460 0.097 0.000 1.136 407 W HN 0.079 nan 8.180 nan 0.000 0.526 408 W N 3.521 124.256 121.300 -0.941 0.000 2.378 408 W HA -0.158 4.502 4.660 -0.000 0.000 0.313 408 W C 1.954 178.179 176.519 -0.489 0.000 1.197 408 W CA 1.759 58.592 57.345 -0.854 0.000 1.304 408 W CB -1.078 27.661 29.460 -1.200 0.000 1.148 408 W HN -0.111 nan 8.180 nan 0.000 0.494 409 N N 1.004 119.599 118.700 -0.174 0.000 2.166 409 N HA -0.211 4.528 4.740 -0.000 0.000 0.186 409 N C 1.505 176.674 175.510 -0.568 0.000 1.019 409 N CA 1.978 54.737 53.050 -0.485 0.000 0.856 409 N CB -0.677 37.166 38.487 -1.074 0.000 0.993 409 N HN 0.272 nan 8.380 nan 0.000 0.426 410 E N 1.456 121.454 120.200 -0.336 0.000 2.110 410 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 410 E C 1.615 178.249 176.600 0.058 0.000 0.988 410 E CA 1.328 57.747 56.400 0.032 0.000 0.804 410 E CB 0.065 29.885 29.700 0.200 0.000 0.745 410 E HN 0.256 nan 8.360 nan 0.000 0.458 411 K N -0.611 119.809 120.400 0.034 0.000 2.057 411 K HA -0.060 4.259 4.320 -0.000 0.000 0.206 411 K C 2.082 178.687 176.600 0.010 0.000 1.050 411 K CA 1.271 57.580 56.287 0.037 0.000 0.935 411 K CB -0.035 32.479 32.500 0.023 0.000 0.715 411 K HN 0.013 nan 8.250 nan 0.000 0.439 412 V N 1.895 121.779 119.914 -0.051 0.000 2.307 412 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 412 V C 2.359 178.484 176.094 0.052 0.000 1.045 412 V CA 1.548 63.834 62.300 -0.023 0.000 1.024 412 V CB -0.381 31.418 31.823 -0.040 0.000 0.651 412 V HN 0.323 nan 8.190 nan 0.000 0.449 413 K N 0.395 120.816 120.400 0.036 0.000 2.032 413 K HA -0.246 4.074 4.320 -0.000 0.000 0.209 413 K C 1.984 178.640 176.600 0.094 0.000 1.048 413 K CA 2.065 58.407 56.287 0.092 0.000 0.927 413 K CB -0.266 32.352 32.500 0.197 0.000 0.712 413 K HN 0.426 nan 8.250 nan 0.000 0.441 414 N N 0.285 119.048 118.700 0.104 0.000 2.188 414 N HA -0.165 4.575 4.740 -0.000 0.000 0.184 414 N C 1.767 177.335 175.510 0.098 0.000 1.018 414 N CA 1.247 54.354 53.050 0.094 0.000 0.858 414 N CB -0.615 37.934 38.487 0.104 0.000 0.989 414 N HN 0.439 nan 8.380 nan 0.000 0.426 415 H N 0.705 119.803 119.070 0.046 0.000 2.321 415 H HA 0.092 4.648 4.556 -0.000 0.000 0.300 415 H C 2.034 177.406 175.328 0.073 0.000 1.087 415 H CA 1.751 57.837 56.048 0.063 0.000 1.319 415 H CB -0.121 29.592 29.762 -0.080 0.000 1.379 415 H HN 0.079 nan 8.280 nan 0.000 0.501 416 M N -0.836 118.728 119.600 -0.060 0.000 2.229 416 M HA -0.133 4.347 4.480 -0.000 0.000 0.264 416 M C 1.921 178.259 176.300 0.062 0.000 1.063 416 M CA 1.104 56.383 55.300 -0.036 0.000 1.114 416 M CB 0.066 32.726 32.600 0.100 0.000 1.387 416 M HN 0.374 nan 8.290 nan 0.000 0.420 417 M N -0.695 118.935 119.600 0.051 0.000 2.287 417 M HA -0.104 4.376 4.480 -0.000 0.000 0.266 417 M C 1.793 178.082 176.300 -0.019 0.000 1.079 417 M CA 1.632 56.981 55.300 0.081 0.000 1.146 417 M CB -0.545 32.083 32.600 0.046 0.000 1.374 417 M HN 0.297 nan 8.290 nan 0.000 0.435 418 Q N -1.022 118.692 119.800 -0.143 0.000 2.354 418 Q HA -0.031 4.309 4.340 -0.000 0.000 0.203 418 Q C -0.024 175.620 176.000 -0.595 0.000 0.933 418 Q CA 0.635 56.229 55.803 -0.347 0.000 0.901 418 Q CB 0.498 28.972 28.738 -0.441 0.000 1.007 418 Q HN 0.487 nan 8.270 nan 0.000 0.495 419 H N -0.016 118.973 119.070 -0.135 0.000 2.336 419 H HA 0.191 4.747 4.556 -0.000 0.000 0.230 419 H C 0.018 175.253 175.328 -0.154 0.000 1.426 419 H CA -0.080 55.890 56.048 -0.130 0.000 1.359 419 H CB 0.532 30.190 29.762 -0.172 0.000 1.555 419 H HN 0.255 nan 8.280 nan 0.000 0.512 420 Q N 0.680 120.444 119.800 -0.061 0.000 2.436 420 Q HA -0.106 4.234 4.340 -0.000 0.000 0.209 420 Q C 1.789 177.721 176.000 -0.114 0.000 0.965 420 Q CA 0.814 56.533 55.803 -0.140 0.000 0.910 420 Q CB 0.402 28.998 28.738 -0.236 0.000 0.980 420 Q HN 0.512 nan 8.270 nan 0.000 0.491 421 E N 1.070 121.256 120.200 -0.023 0.000 2.481 421 E HA -0.092 4.258 4.350 -0.000 0.000 0.195 421 E C -0.433 176.194 176.600 0.046 0.000 1.047 421 E CA 0.447 56.850 56.400 0.006 0.000 0.867 421 E CB 0.028 29.750 29.700 0.038 0.000 0.858 421 E HN 0.169 nan 8.360 nan 0.000 0.513 422 D N 1.841 122.280 120.400 0.066 0.000 2.198 422 D HA 0.150 4.790 4.640 -0.000 0.000 0.245 422 D C -1.659 174.680 176.300 0.066 0.000 1.079 422 D CA -2.148 51.919 54.000 0.112 0.000 0.854 422 D CB 1.653 42.558 40.800 0.175 0.000 1.148 422 D HN -0.181 nan 8.370 nan 0.000 0.456 423 P HA 0.134 nan 4.420 nan 0.000 0.255 423 P C -0.299 177.038 177.300 0.062 0.000 1.248 423 P CA 0.127 63.258 63.100 0.053 0.000 0.807 423 P CB 0.356 32.081 31.700 0.042 0.000 1.150 424 L N 1.667 122.940 121.223 0.083 0.000 2.330 424 L HA 0.390 4.730 4.340 -0.000 0.000 0.271 424 L C -1.379 175.538 176.870 0.078 0.000 1.013 424 L CA -2.259 52.609 54.840 0.048 0.000 0.816 424 L CB 2.567 44.627 42.059 0.000 0.000 1.287 424 L HN -0.304 nan 8.230 nan 0.000 0.435 425 P HA 0.087 nan 4.420 nan 0.000 0.251 425 P C 0.287 177.497 177.300 -0.149 0.000 1.223 425 P CA 0.482 63.605 63.100 0.039 0.000 0.796 425 P CB 0.513 32.227 31.700 0.024 0.000 1.068 426 I N 2.767 123.158 120.570 -0.299 0.000 2.471 426 I HA 0.165 4.335 4.170 -0.000 0.000 0.286 426 I C -2.034 173.599 176.117 -0.806 0.000 1.079 426 I CA -2.566 58.477 61.300 -0.429 0.000 1.398 426 I CB 0.367 38.192 38.000 -0.291 0.000 1.403 426 I HN -0.204 nan 8.210 nan 0.000 0.530 427 P HA -0.030 nan 4.420 nan 0.000 0.266 427 P C 0.359 177.384 177.300 -0.458 0.000 1.195 427 P CA 0.073 62.760 63.100 -0.689 0.000 0.768 427 P CB 0.313 31.870 31.700 -0.239 0.000 0.838 428 F N 1.030 120.817 119.950 -0.271 0.000 2.161 428 F HA -0.153 4.374 4.527 -0.000 0.000 0.300 428 F C 1.767 177.513 175.800 -0.090 0.000 1.089 428 F CA 1.610 59.517 58.000 -0.155 0.000 1.282 428 F CB -0.995 37.932 39.000 -0.121 0.000 1.010 428 F HN 0.408 nan 8.300 nan 0.000 0.485 429 E N -0.277 119.997 120.200 0.124 0.000 2.419 429 E HA -0.004 4.346 4.350 -0.000 0.000 0.190 429 E C -0.192 176.427 176.600 0.030 0.000 1.040 429 E CA -0.185 56.261 56.400 0.078 0.000 0.900 429 E CB -0.299 29.448 29.700 0.079 0.000 1.054 429 E HN 0.213 nan 8.360 nan 0.000 0.462 430 D N 2.540 122.934 120.400 -0.009 0.000 2.450 430 D HA 0.035 4.675 4.640 -0.000 0.000 0.247 430 D C -2.302 174.012 176.300 0.024 0.000 1.162 430 D CA -1.565 52.419 54.000 -0.027 0.000 0.879 430 D CB 0.807 41.550 40.800 -0.096 0.000 1.163 430 D HN -0.139 nan 8.370 nan 0.000 0.472 431 P HA 0.074 nan 4.420 nan 0.000 0.271 431 P C -0.426 176.988 177.300 0.190 0.000 1.233 431 P CA -0.372 62.822 63.100 0.156 0.000 0.789 431 P CB 0.387 32.184 31.700 0.162 0.000 0.951 432 E N 1.904 122.237 120.200 0.223 0.000 2.392 432 E HA 0.213 4.563 4.350 -0.000 0.000 0.256 432 E C -2.525 174.115 176.600 0.067 0.000 1.145 432 E CA -1.956 54.503 56.400 0.097 0.000 0.929 432 E CB -0.833 28.885 29.700 0.030 0.000 0.998 432 E HN 0.198 nan 8.360 nan 0.000 0.442 433 P HA 0.102 nan 4.420 nan 0.000 0.272 433 P C -0.592 176.710 177.300 0.004 0.000 1.223 433 P CA -0.048 63.121 63.100 0.116 0.000 0.784 433 P CB 0.416 32.127 31.700 0.019 0.000 0.923 434 Q N 0.953 120.846 119.800 0.154 0.000 3.662 434 Q HA 0.318 4.658 4.340 -0.000 0.000 0.237 434 Q C -1.234 174.844 176.000 0.129 0.000 0.895 434 Q CA -0.245 55.518 55.803 -0.067 0.000 0.767 434 Q CB 1.252 29.685 28.738 -0.509 0.000 1.469 434 Q HN 0.176 nan 8.270 nan 0.000 0.424 435 V N 0.645 120.599 119.914 0.067 0.000 2.628 435 V HA 0.738 4.858 4.120 -0.000 0.000 0.306 435 V C 0.067 176.178 176.094 0.028 0.000 1.045 435 V CA -0.408 61.939 62.300 0.078 0.000 0.905 435 V CB 2.140 33.948 31.823 -0.026 0.000 0.997 435 V HN 0.477 nan 8.190 nan 0.000 0.436 436 T N 1.710 116.313 114.554 0.082 0.000 2.900 436 T HA 0.503 4.853 4.350 -0.000 0.000 0.303 436 T C -0.928 173.740 174.700 -0.053 0.000 1.142 436 T CA -0.327 61.771 62.100 -0.004 0.000 1.007 436 T CB 1.908 70.751 68.868 -0.043 0.000 1.156 436 T HN 0.810 nan 8.240 nan 0.000 0.490 437 T N 4.332 118.708 114.554 -0.295 0.000 2.772 437 T HA 0.596 4.946 4.350 -0.000 0.000 0.288 437 T C -0.081 174.479 174.700 -0.233 0.000 0.994 437 T CA -0.623 61.134 62.100 -0.572 0.000 0.951 437 T CB -0.168 67.895 68.868 -1.341 0.000 0.933 437 T HN 0.527 nan 8.240 nan 0.000 0.447 438 L N 4.531 125.693 121.223 -0.101 0.000 2.467 438 L HA 0.359 4.698 4.340 -0.000 0.000 0.270 438 L C 0.775 177.656 176.870 0.019 0.000 1.205 438 L CA -0.864 54.000 54.840 0.041 0.000 0.828 438 L CB 0.154 42.230 42.059 0.029 0.000 1.101 438 L HN 0.626 nan 8.230 nan 0.000 0.479 439 F N 2.954 122.837 119.950 -0.113 0.000 2.568 439 F HA -0.113 4.413 4.527 -0.000 0.000 0.394 439 F C 0.341 175.880 175.800 -0.435 0.000 1.032 439 F CA 0.734 58.568 58.000 -0.277 0.000 1.242 439 F CB 0.103 38.996 39.000 -0.179 0.000 0.966 439 F HN 0.405 nan 8.300 nan 0.000 0.560 440 Q N 6.493 125.855 119.800 -0.729 0.000 2.456 440 Q HA 0.255 4.594 4.340 -0.000 0.000 0.284 440 Q C -1.985 173.635 176.000 -0.634 0.000 1.061 440 Q CA -1.750 53.696 55.803 -0.595 0.000 0.799 440 Q CB 1.462 29.698 28.738 -0.837 0.000 1.445 440 Q HN 0.230 nan 8.270 nan 0.000 0.411 441 P HA -0.207 nan 4.420 nan 0.000 0.216 441 P C 1.146 178.244 177.300 -0.337 0.000 1.154 441 P CA 2.122 65.076 63.100 -0.243 0.000 0.865 441 P CB 0.230 31.862 31.700 -0.113 0.000 0.789 442 S N -1.805 113.694 115.700 -0.335 0.000 2.562 442 S HA -0.091 4.379 4.470 -0.000 0.000 0.221 442 S C 0.473 174.881 174.600 -0.319 0.000 0.975 442 S CA 0.172 58.243 58.200 -0.215 0.000 0.918 442 S CB -1.237 61.941 63.200 -0.037 0.000 0.772 442 S HN 0.435 nan 8.310 nan 0.000 0.531 443 H N -1.338 117.286 119.070 -0.743 0.000 2.562 443 H HA 0.446 5.002 4.556 -0.000 0.000 0.230 443 H C -3.251 170.896 175.328 -1.969 0.000 1.415 443 H CA -1.719 53.484 56.048 -1.407 0.000 1.454 443 H CB 0.340 29.558 29.762 -0.906 0.000 1.716 443 H HN 0.066 nan 8.280 nan 0.000 0.538 444 P HA 0.078 nan 4.420 nan 0.000 0.230 444 P C -1.237 175.297 177.300 -1.277 0.000 1.791 444 P CA 0.217 62.139 63.100 -1.963 0.000 1.020 444 P CB -1.010 30.118 31.700 -0.954 0.000 1.977 445 W N -0.036 120.828 121.300 -0.727 0.000 3.213 445 W HA 0.517 5.177 4.660 -0.000 0.000 0.318 445 W C -0.834 175.750 176.519 0.108 0.000 1.248 445 W CA -1.248 56.051 57.345 -0.076 0.000 1.187 445 W CB 0.086 29.561 29.460 0.025 0.000 1.403 445 W HN 0.011 nan 8.180 nan 0.000 0.556 446 H N 1.024 120.361 119.070 0.446 0.000 2.505 446 H HA 0.713 5.269 4.556 -0.000 0.000 0.351 446 H C -0.210 175.269 175.328 0.253 0.000 1.151 446 H CA 0.378 56.591 56.048 0.276 0.000 1.339 446 H CB 1.472 31.357 29.762 0.204 0.000 1.483 446 H HN 0.562 nan 8.280 nan 0.000 0.558 447 T N 1.968 116.164 114.554 -0.596 0.000 2.893 447 T HA 0.511 4.860 4.350 -0.000 0.000 0.293 447 T C -0.767 173.639 174.700 -0.490 0.000 1.027 447 T CA -1.120 60.673 62.100 -0.512 0.000 0.988 447 T CB 1.660 70.124 68.868 -0.675 0.000 1.043 447 T HN 0.655 nan 8.240 nan 0.000 0.461 448 Q N 1.676 121.394 119.800 -0.136 0.000 2.304 448 Q HA 0.596 4.935 4.340 -0.000 0.000 0.270 448 Q C -1.220 174.687 176.000 -0.155 0.000 1.035 448 Q CA -0.654 54.986 55.803 -0.272 0.000 0.781 448 Q CB 2.653 31.093 28.738 -0.496 0.000 1.261 448 Q HN 0.710 nan 8.270 nan 0.000 0.444 449 I N 3.752 124.190 120.570 -0.221 0.000 2.495 449 I HA 0.360 4.530 4.170 -0.000 0.000 0.277 449 I C -0.403 175.605 176.117 -0.182 0.000 1.045 449 I CA -0.217 60.843 61.300 -0.398 0.000 1.135 449 I CB 0.410 38.043 38.000 -0.612 0.000 1.241 449 I HN 0.771 nan 8.210 nan 0.000 0.469 450 H N 3.663 122.546 119.070 -0.312 0.000 3.150 450 H HA 0.650 5.206 4.556 -0.000 0.000 0.270 450 H C -1.167 174.077 175.328 -0.139 0.000 1.573 450 H CA -1.330 54.602 56.048 -0.193 0.000 1.195 450 H CB 1.348 31.020 29.762 -0.149 0.000 1.874 450 H HN 0.086 nan 8.280 nan 0.000 0.691 451 R N 1.271 121.562 120.500 -0.347 0.000 2.575 451 R HA 0.279 4.619 4.340 -0.000 0.000 0.293 451 R C -1.423 174.584 176.300 -0.489 0.000 0.983 451 R CA -0.524 55.353 56.100 -0.372 0.000 0.887 451 R CB 1.778 32.004 30.300 -0.124 0.000 1.184 451 R HN 0.918 nan 8.270 nan 0.000 0.445 452 D N 0.620 120.756 120.400 -0.440 0.000 2.758 452 D HA 0.429 5.068 4.640 -0.000 0.000 0.262 452 D C -0.514 175.757 176.300 -0.049 0.000 1.113 452 D CA -0.802 53.061 54.000 -0.228 0.000 1.114 452 D CB 0.145 40.836 40.800 -0.182 0.000 1.363 452 D HN 0.369 nan 8.370 nan 0.000 0.617 453 A N -0.523 122.301 122.820 0.006 0.000 2.580 453 A HA 0.358 4.677 4.320 -0.000 0.000 0.244 453 A C -0.794 176.856 177.584 0.109 0.000 1.045 453 A CA 0.356 52.443 52.037 0.083 0.000 0.761 453 A CB -1.044 18.035 19.000 0.132 0.000 0.962 453 A HN 0.444 nan 8.150 nan 0.000 0.512 454 F N 1.928 121.801 119.950 -0.129 0.000 2.596 454 F HA 0.468 4.994 4.527 -0.000 0.000 0.311 454 F C 0.155 175.763 175.800 -0.320 0.000 1.116 454 F CA -0.353 57.467 58.000 -0.300 0.000 0.957 454 F CB 2.082 40.776 39.000 -0.510 0.000 1.250 454 F HN 0.529 nan 8.300 nan 0.000 0.444 455 S N 4.172 119.298 115.700 -0.955 0.000 2.464 455 S HA 0.411 4.880 4.470 -0.000 0.000 0.313 455 S C -1.039 173.190 174.600 -0.619 0.000 1.078 455 S CA -0.479 57.367 58.200 -0.589 0.000 1.096 455 S CB -0.448 62.483 63.200 -0.448 0.000 1.032 455 S HN 0.445 nan 8.310 nan 0.000 0.498 456 Y N 2.347 122.637 120.300 -0.015 0.000 2.442 456 Y HA 0.417 4.967 4.550 -0.000 0.000 0.330 456 Y C 1.593 177.528 175.900 0.058 0.000 1.129 456 Y CA 0.309 58.506 58.100 0.162 0.000 1.365 456 Y CB 0.207 38.801 38.460 0.222 0.000 1.233 456 Y HN 0.854 nan 8.280 nan 0.000 0.529 457 G N 1.336 110.274 108.800 0.231 0.000 2.562 457 G HA2 0.190 4.150 3.960 -0.000 0.000 0.233 457 G HA3 0.190 4.150 3.960 -0.000 0.000 0.233 457 G C 0.914 175.900 174.900 0.144 0.000 1.266 457 G CA -0.013 45.172 45.100 0.142 0.000 0.852 457 G HN 0.950 nan 8.290 nan 0.000 0.581 458 A N 1.076 123.948 122.820 0.088 0.000 2.019 458 A HA -0.009 4.310 4.320 -0.000 0.000 0.219 458 A C 2.434 180.058 177.584 0.067 0.000 1.164 458 A CA 1.890 53.969 52.037 0.071 0.000 0.644 458 A CB -0.255 18.773 19.000 0.046 0.000 0.805 458 A HN 0.601 nan 8.150 nan 0.000 0.449 459 V N -0.447 119.511 119.914 0.073 0.000 2.488 459 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 459 V C 2.481 178.620 176.094 0.075 0.000 1.046 459 V CA 1.852 64.190 62.300 0.063 0.000 1.053 459 V CB -0.901 30.957 31.823 0.058 0.000 0.679 459 V HN 0.618 nan 8.190 nan 0.000 0.458 460 Q N -0.274 119.600 119.800 0.124 0.000 2.119 460 Q HA -0.203 4.136 4.340 -0.000 0.000 0.201 460 Q C 2.244 178.263 176.000 0.033 0.000 0.972 460 Q CA 1.146 57.033 55.803 0.140 0.000 0.847 460 Q CB -0.227 28.715 28.738 0.339 0.000 0.903 460 Q HN 0.595 nan 8.270 nan 0.000 0.433 461 Q N -0.007 119.827 119.800 0.055 0.000 2.515 461 Q HA -0.116 4.224 4.340 -0.000 0.000 0.215 461 Q C 1.821 177.806 176.000 -0.025 0.000 0.983 461 Q CA 0.642 56.437 55.803 -0.013 0.000 0.905 461 Q CB -0.040 28.729 28.738 0.051 0.000 0.961 461 Q HN 0.201 nan 8.270 nan 0.000 0.503 462 S N -0.272 115.425 115.700 -0.005 0.000 2.461 462 S HA 0.001 4.470 4.470 -0.000 0.000 0.228 462 S C 0.838 175.425 174.600 -0.022 0.000 1.005 462 S CA 0.015 58.212 58.200 -0.005 0.000 0.942 462 S CB 0.268 63.474 63.200 0.011 0.000 0.776 462 S HN 0.140 nan 8.310 nan 0.000 0.514 463 I N 2.964 123.506 120.570 -0.047 0.000 2.342 463 I HA 0.239 4.409 4.170 -0.000 0.000 0.291 463 I C 0.360 176.426 176.117 -0.086 0.000 1.010 463 I CA -0.803 60.463 61.300 -0.056 0.000 1.308 463 I CB 0.644 38.613 38.000 -0.053 0.000 1.400 463 I HN 0.168 nan 8.210 nan 0.000 0.488 464 D N 4.071 124.443 120.400 -0.047 0.000 2.531 464 D HA -0.111 4.528 4.640 -0.000 0.000 0.239 464 D C 1.210 177.471 176.300 -0.066 0.000 1.144 464 D CA 0.419 54.397 54.000 -0.037 0.000 0.869 464 D CB 1.038 41.841 40.800 0.006 0.000 1.160 464 D HN 0.613 nan 8.370 nan 0.000 0.484 465 S N 4.049 119.700 115.700 -0.082 0.000 2.402 465 S HA -0.206 4.264 4.470 -0.000 0.000 0.233 465 S C 1.773 176.348 174.600 -0.041 0.000 1.030 465 S CA 1.167 59.308 58.200 -0.098 0.000 1.003 465 S CB 0.078 63.243 63.200 -0.058 0.000 0.813 465 S HN 0.530 nan 8.310 nan 0.000 0.477 466 R N 0.147 120.637 120.500 -0.017 0.000 2.193 466 R HA 0.040 4.379 4.340 -0.000 0.000 0.229 466 R C 1.933 178.218 176.300 -0.025 0.000 1.110 466 R CA 1.195 57.282 56.100 -0.021 0.000 0.988 466 R CB -0.313 29.967 30.300 -0.033 0.000 0.871 466 R HN 0.442 nan 8.270 nan 0.000 0.458 467 L N 0.225 121.435 121.223 -0.023 0.000 2.492 467 L HA 0.117 4.456 4.340 -0.000 0.000 0.223 467 L C 0.729 177.601 176.870 0.003 0.000 1.132 467 L CA 0.221 55.054 54.840 -0.011 0.000 0.850 467 L CB 0.108 42.160 42.059 -0.012 0.000 0.966 467 L HN 0.060 nan 8.230 nan 0.000 0.454 468 I N -0.053 120.514 120.570 -0.005 0.000 2.385 468 I HA 0.270 4.440 4.170 -0.000 0.000 0.294 468 I C -0.625 175.508 176.117 0.026 0.000 0.988 468 I CA -0.445 60.866 61.300 0.018 0.000 1.265 468 I CB 1.976 39.974 38.000 -0.004 0.000 1.388 468 I HN -0.312 nan 8.210 nan 0.000 0.480 469 V N 4.690 124.638 119.914 0.056 0.000 2.709 469 V HA 0.321 4.441 4.120 -0.000 0.000 0.308 469 V C -0.899 175.179 176.094 -0.026 0.000 1.062 469 V CA -0.871 61.416 62.300 -0.021 0.000 0.901 469 V CB 2.152 33.961 31.823 -0.023 0.000 1.003 469 V HN 0.588 nan 8.190 nan 0.000 0.425 470 D N 2.549 122.866 120.400 -0.138 0.000 2.210 470 D HA 0.443 5.083 4.640 -0.000 0.000 0.249 470 D C -0.986 175.217 176.300 -0.161 0.000 1.062 470 D CA 0.070 54.025 54.000 -0.075 0.000 0.891 470 D CB 1.313 42.094 40.800 -0.032 0.000 1.186 470 D HN 0.439 nan 8.370 nan 0.000 0.432 471 W N 1.291 122.555 121.300 -0.060 0.000 2.538 471 W HA 0.436 5.096 4.660 -0.000 0.000 0.322 471 W C 0.229 176.771 176.519 0.039 0.000 1.028 471 W CA -0.843 56.511 57.345 0.014 0.000 1.228 471 W CB 1.250 30.602 29.460 -0.180 0.000 1.356 471 W HN -0.079 nan 8.180 nan 0.000 0.452 472 R N 3.070 123.788 120.500 0.365 0.000 2.483 472 R HA 0.498 4.837 4.340 -0.000 0.000 0.303 472 R C -1.472 175.021 176.300 0.321 0.000 0.987 472 R CA -0.853 55.354 56.100 0.179 0.000 0.881 472 R CB 1.557 31.920 30.300 0.105 0.000 1.177 472 R HN 0.166 nan 8.270 nan 0.000 0.451 473 F N 2.955 122.777 119.950 -0.213 0.000 2.469 473 F HA 0.513 5.040 4.527 -0.000 0.000 0.332 473 F C -0.228 175.479 175.800 -0.155 0.000 1.103 473 F CA -1.518 56.447 58.000 -0.059 0.000 0.979 473 F CB 1.036 39.949 39.000 -0.145 0.000 1.137 473 F HN 0.291 nan 8.300 nan 0.000 0.463 474 F N 1.002 121.147 119.950 0.326 0.000 2.493 474 F HA 0.668 5.194 4.527 -0.000 0.000 0.329 474 F C 0.603 176.615 175.800 0.353 0.000 1.126 474 F CA -1.102 57.085 58.000 0.312 0.000 0.937 474 F CB 1.622 40.855 39.000 0.388 0.000 1.146 474 F HN 0.520 nan 8.300 nan 0.000 0.442 475 G N 1.919 110.977 108.800 0.429 0.000 2.462 475 G HA2 0.663 4.623 3.960 -0.000 0.000 0.319 475 G HA3 0.663 4.623 3.960 -0.000 0.000 0.319 475 G C -0.977 174.127 174.900 0.341 0.000 1.171 475 G CA -1.054 44.276 45.100 0.384 0.000 0.920 475 G HN 0.710 nan 8.290 nan 0.000 0.499 476 R N -0.905 119.792 120.500 0.327 0.000 2.540 476 R HA 0.676 5.016 4.340 -0.000 0.000 0.287 476 R C -1.063 175.344 176.300 0.177 0.000 0.980 476 R CA -0.591 55.626 56.100 0.194 0.000 0.966 476 R CB 1.420 31.858 30.300 0.229 0.000 1.106 476 R HN 0.269 nan 8.270 nan 0.000 0.480 477 T N 1.951 116.575 114.554 0.118 0.000 2.786 477 T HA 0.116 4.466 4.350 -0.000 0.000 0.283 477 T C -0.697 174.081 174.700 0.130 0.000 0.992 477 T CA -0.610 61.604 62.100 0.191 0.000 0.954 477 T CB 1.280 70.331 68.868 0.305 0.000 0.934 477 T HN 0.673 nan 8.240 nan 0.000 0.440 478 E N 4.827 125.106 120.200 0.132 0.000 2.415 478 E HA 0.085 4.434 4.350 -0.000 0.000 0.263 478 E C -2.116 174.558 176.600 0.123 0.000 0.995 478 E CA -1.490 54.977 56.400 0.113 0.000 0.915 478 E CB 0.504 30.263 29.700 0.097 0.000 0.951 478 E HN 0.199 nan 8.360 nan 0.000 0.449 479 P HA 0.109 nan 4.420 nan 0.000 0.276 479 P C -1.236 176.214 177.300 0.249 0.000 1.243 479 P CA 0.111 63.346 63.100 0.225 0.000 0.768 479 P CB 0.689 32.542 31.700 0.255 0.000 0.856 480 K N 2.603 123.096 120.400 0.156 0.000 2.427 480 K HA 0.138 4.458 4.320 -0.000 0.000 0.252 480 K C 0.959 177.399 176.600 -0.267 0.000 0.931 480 K CA -0.668 55.629 56.287 0.016 0.000 0.793 480 K CB 2.314 34.782 32.500 -0.054 0.000 1.211 480 K HN 0.410 nan 8.250 nan 0.000 0.426 481 E N 2.674 122.548 120.200 -0.543 0.000 2.160 481 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 481 E C 0.853 177.191 176.600 -0.437 0.000 0.991 481 E CA 1.523 57.329 56.400 -0.990 0.000 0.810 481 E CB 0.542 29.867 29.700 -0.624 0.000 0.742 481 E HN 0.628 nan 8.360 nan 0.000 0.466 482 E N 0.270 120.325 120.200 -0.242 0.000 2.347 482 E HA -0.083 4.267 4.350 -0.000 0.000 0.196 482 E C 0.036 176.578 176.600 -0.097 0.000 1.008 482 E CA 0.125 56.440 56.400 -0.141 0.000 0.852 482 E CB -0.394 29.241 29.700 -0.108 0.000 0.783 482 E HN 0.021 nan 8.360 nan 0.000 0.505 483 N N 1.994 120.627 118.700 -0.111 0.000 2.411 483 N HA 0.184 4.923 4.740 -0.000 0.000 0.259 483 N C -0.745 174.829 175.510 0.107 0.000 1.103 483 N CA 0.170 53.214 53.050 -0.011 0.000 0.954 483 N CB 1.117 39.565 38.487 -0.065 0.000 1.085 483 N HN 0.109 nan 8.380 nan 0.000 0.485 484 K N 1.156 121.675 120.400 0.198 0.000 2.469 484 K HA 0.440 4.759 4.320 -0.000 0.000 0.254 484 K C -1.232 175.515 176.600 0.244 0.000 0.939 484 K CA -0.884 55.530 56.287 0.212 0.000 0.812 484 K CB 2.373 35.007 32.500 0.222 0.000 1.301 484 K HN 0.185 nan 8.250 nan 0.000 0.433 485 L N 4.010 125.322 121.223 0.149 0.000 2.305 485 L HA 0.594 4.934 4.340 -0.000 0.000 0.284 485 L C -1.309 175.484 176.870 -0.130 0.000 1.013 485 L CA -0.065 54.695 54.840 -0.133 0.000 0.819 485 L CB 0.528 42.508 42.059 -0.132 0.000 1.227 485 L HN 0.699 nan 8.230 nan 0.000 0.417 486 W N 3.701 124.707 121.300 -0.491 0.000 2.992 486 W HA 0.634 5.293 4.660 -0.001 0.000 0.342 486 W C -2.193 173.893 176.519 -0.721 0.000 1.176 486 W CA -1.212 55.904 57.345 -0.382 0.000 1.118 486 W CB 0.918 30.307 29.460 -0.119 0.000 1.457 486 W HN 0.353 nan 8.180 nan 0.000 0.573 487 F N 1.628 121.754 119.950 0.293 0.000 2.507 487 F HA 0.339 4.866 4.527 -0.000 0.000 0.325 487 F C 0.822 176.779 175.800 0.261 0.000 1.116 487 F CA -0.920 57.142 58.000 0.103 0.000 0.930 487 F CB 2.090 41.125 39.000 0.059 0.000 1.146 487 F HN 0.267 nan 8.300 nan 0.000 0.447 488 S N 1.090 116.937 115.700 0.244 0.000 2.562 488 S HA 0.046 4.515 4.470 -0.000 0.000 0.281 488 S C 0.747 175.495 174.600 0.246 0.000 1.333 488 S CA -0.518 57.857 58.200 0.293 0.000 1.052 488 S CB 0.373 63.650 63.200 0.128 0.000 0.884 488 S HN 0.696 nan 8.310 nan 0.000 0.506 489 D N 2.771 123.302 120.400 0.220 0.000 2.339 489 D HA 0.122 4.761 4.640 -0.000 0.000 0.217 489 D C 0.941 177.303 176.300 0.104 0.000 1.050 489 D CA 0.404 54.488 54.000 0.140 0.000 0.856 489 D CB 0.172 41.037 40.800 0.107 0.000 0.922 489 D HN 0.498 nan 8.370 nan 0.000 0.518 490 K N -0.394 120.072 120.400 0.111 0.000 2.485 490 K HA 0.141 4.461 4.320 -0.000 0.000 0.200 490 K C 0.059 176.704 176.600 0.075 0.000 1.344 490 K CA -0.205 56.132 56.287 0.083 0.000 0.948 490 K CB 0.909 33.458 32.500 0.082 0.000 1.454 490 K HN -0.050 nan 8.250 nan 0.000 0.502 491 I N 3.331 123.948 120.570 0.079 0.000 2.472 491 I HA 0.110 4.280 4.170 -0.000 0.000 0.290 491 I C 0.524 176.679 176.117 0.063 0.000 1.016 491 I CA 0.066 61.401 61.300 0.059 0.000 1.348 491 I CB 1.082 39.106 38.000 0.039 0.000 1.417 491 I HN 0.248 nan 8.210 nan 0.000 0.521 492 T N 1.257 115.845 114.554 0.057 0.000 2.924 492 T HA 0.598 4.947 4.350 -0.000 0.000 0.291 492 T C -0.363 174.376 174.700 0.065 0.000 1.045 492 T CA -0.914 61.227 62.100 0.068 0.000 1.015 492 T CB 2.368 71.274 68.868 0.063 0.000 1.103 492 T HN 0.543 nan 8.240 nan 0.000 0.496 493 D N 0.647 121.103 120.400 0.093 0.000 2.507 493 D HA 0.478 5.118 4.640 -0.000 0.000 0.280 493 D C 1.540 177.888 176.300 0.080 0.000 1.219 493 D CA -0.495 53.568 54.000 0.103 0.000 1.085 493 D CB -0.034 40.865 40.800 0.165 0.000 1.134 493 D HN 0.650 nan 8.370 nan 0.000 0.583 494 A N -1.530 121.334 122.820 0.074 0.000 2.172 494 A HA -0.069 4.250 4.320 -0.000 0.000 0.216 494 A C 1.015 178.434 177.584 -0.274 0.000 1.154 494 A CA 0.741 52.724 52.037 -0.090 0.000 0.701 494 A CB -0.916 18.003 19.000 -0.135 0.000 0.789 494 A HN 0.533 nan 8.150 nan 0.000 0.465 495 Y N -1.309 119.011 120.300 0.034 0.000 2.607 495 Y HA 0.233 4.782 4.550 -0.000 0.000 0.266 495 Y C 0.701 176.631 175.900 0.050 0.000 1.178 495 Y CA -0.263 57.858 58.100 0.035 0.000 1.226 495 Y CB -0.207 38.259 38.460 0.010 0.000 1.144 495 Y HN 0.427 nan 8.280 nan 0.000 0.528 496 N N -0.219 118.555 118.700 0.122 0.000 2.747 496 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 496 N C -0.694 174.875 175.510 0.099 0.000 1.107 496 N CA 0.607 53.710 53.050 0.089 0.000 0.707 496 N CB -0.547 37.983 38.487 0.073 0.000 1.054 496 N HN 0.138 nan 8.380 nan 0.000 0.555 497 M N -0.286 119.390 119.600 0.127 0.000 2.598 497 M HA 0.436 4.916 4.480 -0.000 0.000 0.317 497 M C -2.114 174.253 176.300 0.112 0.000 1.201 497 M CA -2.001 53.361 55.300 0.103 0.000 0.971 497 M CB 0.670 33.336 32.600 0.110 0.000 1.657 497 M HN -0.263 nan 8.290 nan 0.000 0.470 498 P HA -0.007 nan 4.420 nan 0.000 0.261 498 P C -0.637 176.812 177.300 0.248 0.000 1.183 498 P CA 0.096 63.289 63.100 0.155 0.000 0.761 498 P CB 0.214 32.006 31.700 0.154 0.000 0.785 499 Q N 7.066 126.960 119.800 0.157 0.000 2.286 499 Q HA 0.162 4.502 4.340 -0.000 0.000 0.267 499 Q C -2.257 173.706 176.000 -0.062 0.000 1.028 499 Q CA -1.898 53.945 55.803 0.067 0.000 0.901 499 Q CB -0.174 28.559 28.738 -0.010 0.000 1.183 499 Q HN 0.294 nan 8.270 nan 0.000 0.392 500 P HA 0.131 nan 4.420 nan 0.000 0.271 500 P C -1.049 175.751 177.300 -0.834 0.000 1.216 500 P CA -0.174 62.499 63.100 -0.711 0.000 0.776 500 P CB 1.094 32.454 31.700 -0.567 0.000 0.881 501 T N 2.747 116.578 114.554 -1.205 0.000 2.971 501 T HA 0.498 4.848 4.350 -0.000 0.000 0.304 501 T C -0.707 173.315 174.700 -1.130 0.000 1.038 501 T CA -0.103 61.299 62.100 -1.163 0.000 1.007 501 T CB 0.489 68.325 68.868 -1.720 0.000 1.055 501 T HN 0.052 nan 8.240 nan 0.000 0.451 502 F N 1.984 121.648 119.950 -0.476 0.000 2.422 502 F HA 0.542 5.068 4.527 -0.000 0.000 0.333 502 F C 0.601 176.348 175.800 -0.088 0.000 1.095 502 F CA -0.949 56.902 58.000 -0.249 0.000 1.038 502 F CB 1.175 40.075 39.000 -0.167 0.000 1.156 502 F HN 0.392 nan 8.300 nan 0.000 0.483 503 D N 3.468 124.037 120.400 0.282 0.000 2.389 503 D HA 0.235 4.875 4.640 -0.000 0.000 0.256 503 D C -1.789 174.654 176.300 0.238 0.000 1.239 503 D CA -0.099 54.056 54.000 0.258 0.000 0.925 503 D CB 0.434 41.420 40.800 0.310 0.000 1.145 503 D HN 0.304 nan 8.370 nan 0.000 0.542 504 F N 3.214 123.161 119.950 -0.005 0.000 2.581 504 F HA 0.596 5.123 4.527 -0.000 0.000 0.311 504 F C -1.197 174.505 175.800 -0.164 0.000 1.113 504 F CA -0.604 57.328 58.000 -0.113 0.000 0.935 504 F CB 1.448 40.313 39.000 -0.225 0.000 1.232 504 F HN 0.040 nan 8.300 nan 0.000 0.445 505 R N 4.167 124.166 120.500 -0.834 0.000 2.698 505 R HA 0.344 4.684 4.340 -0.000 0.000 0.275 505 R C -1.668 173.991 176.300 -1.068 0.000 1.001 505 R CA -0.949 54.768 56.100 -0.639 0.000 0.896 505 R CB 1.781 31.916 30.300 -0.275 0.000 1.218 505 R HN 0.589 nan 8.270 nan 0.000 0.462 506 F N 2.804 122.518 119.950 -0.392 0.000 2.578 506 F HA 0.149 4.675 4.527 -0.000 0.000 0.381 506 F C -1.321 174.346 175.800 -0.221 0.000 1.069 506 F CA -0.983 56.872 58.000 -0.242 0.000 1.231 506 F CB -0.173 38.816 39.000 -0.020 0.000 1.086 506 F HN 0.127 nan 8.300 nan 0.000 0.564 507 P HA 0.109 nan 4.420 nan 0.000 0.266 507 P C -0.577 176.731 177.300 0.015 0.000 1.195 507 P CA -0.179 62.894 63.100 -0.044 0.000 0.768 507 P CB 0.538 32.228 31.700 -0.016 0.000 0.838 508 A N 2.756 125.573 122.820 -0.006 0.000 2.448 508 A HA 0.507 4.827 4.320 -0.000 0.000 0.239 508 A C 1.122 178.719 177.584 0.021 0.000 1.080 508 A CA 0.960 53.000 52.037 0.006 0.000 0.779 508 A CB -1.033 17.965 19.000 -0.005 0.000 1.026 508 A HN 0.844 nan 8.150 nan 0.000 0.499 509 G N 0.256 109.071 108.800 0.025 0.000 2.475 509 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.223 509 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.223 509 G C 0.963 175.893 174.900 0.050 0.000 1.201 509 G CA 0.697 45.818 45.100 0.035 0.000 0.962 509 G HN 1.071 nan 8.290 nan 0.000 0.586 510 R N -0.169 120.367 120.500 0.060 0.000 2.103 510 R HA -0.098 4.242 4.340 -0.000 0.000 0.242 510 R C 2.754 179.111 176.300 0.095 0.000 1.142 510 R CA 2.819 58.965 56.100 0.077 0.000 0.960 510 R CB -0.903 29.446 30.300 0.081 0.000 0.858 510 R HN 0.619 nan 8.270 nan 0.000 0.439 511 T N -0.020 114.593 114.554 0.099 0.000 2.684 511 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 511 T C 1.907 176.660 174.700 0.089 0.000 1.036 511 T CA 1.846 64.020 62.100 0.123 0.000 1.148 511 T CB -0.164 68.796 68.868 0.153 0.000 0.863 511 T HN 0.292 nan 8.240 nan 0.000 0.436 512 S N 0.547 116.283 115.700 0.060 0.000 2.387 512 S HA -0.006 4.464 4.470 -0.000 0.000 0.226 512 S C 2.008 176.617 174.600 0.016 0.000 1.026 512 S CA 0.851 59.057 58.200 0.009 0.000 0.972 512 S CB -0.145 63.056 63.200 0.001 0.000 0.814 512 S HN 0.499 nan 8.310 nan 0.000 0.477 513 K N 1.426 121.853 120.400 0.045 0.000 2.057 513 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 513 K C 1.877 178.532 176.600 0.092 0.000 1.050 513 K CA 1.287 57.608 56.287 0.057 0.000 0.935 513 K CB -0.098 32.440 32.500 0.063 0.000 0.715 513 K HN 0.329 nan 8.250 nan 0.000 0.439 514 E N 0.024 120.303 120.200 0.131 0.000 2.110 514 E HA -0.175 4.174 4.350 -0.000 0.000 0.193 514 E C 1.945 178.635 176.600 0.151 0.000 0.988 514 E CA 0.958 57.492 56.400 0.224 0.000 0.804 514 E CB -0.083 29.777 29.700 0.267 0.000 0.745 514 E HN 0.450 nan 8.360 nan 0.000 0.458 515 A N 1.330 124.205 122.820 0.093 0.000 1.902 515 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 515 A C 2.081 179.726 177.584 0.102 0.000 1.181 515 A CA 1.737 53.822 52.037 0.080 0.000 0.623 515 A CB -0.356 18.645 19.000 0.001 0.000 0.818 515 A HN 0.119 nan 8.150 nan 0.000 0.443 516 E N 0.599 120.842 120.200 0.072 0.000 2.072 516 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 516 E C 1.359 177.940 176.600 -0.032 0.000 0.985 516 E CA 1.517 57.958 56.400 0.068 0.000 0.801 516 E CB -0.357 29.361 29.700 0.030 0.000 0.750 516 E HN 0.516 nan 8.360 nan 0.000 0.452 517 D N -0.093 120.290 120.400 -0.028 0.000 2.149 517 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 517 D C 1.931 177.986 176.300 -0.408 0.000 0.990 517 D CA 1.302 55.267 54.000 -0.059 0.000 0.839 517 D CB -0.345 40.557 40.800 0.169 0.000 0.948 517 D HN 0.329 nan 8.370 nan 0.000 0.460 518 M N -0.385 118.776 119.600 -0.732 0.000 2.132 518 M HA -0.176 4.303 4.480 -0.000 0.000 0.263 518 M C 2.041 177.916 176.300 -0.709 0.000 1.065 518 M CA 1.140 55.656 55.300 -1.307 0.000 1.122 518 M CB 0.006 32.039 32.600 -0.945 0.000 1.365 518 M HN -0.038 nan 8.290 nan 0.000 0.411 519 M N 0.478 119.794 119.600 -0.473 0.000 2.082 519 M HA -0.172 4.308 4.480 -0.000 0.000 0.258 519 M C 1.785 177.870 176.300 -0.358 0.000 1.069 519 M CA 2.436 57.460 55.300 -0.461 0.000 1.102 519 M CB -0.988 31.421 32.600 -0.319 0.000 1.336 519 M HN 0.273 nan 8.290 nan 0.000 0.404 520 T N -0.081 114.330 114.554 -0.238 0.000 2.746 520 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 520 T C 1.489 176.114 174.700 -0.125 0.000 1.039 520 T CA 1.792 63.807 62.100 -0.142 0.000 1.142 520 T CB -0.608 68.222 68.868 -0.064 0.000 0.866 520 T HN 0.543 nan 8.240 nan 0.000 0.444 521 D N 0.594 120.919 120.400 -0.124 0.000 2.123 521 D HA -0.098 4.541 4.640 -0.000 0.000 0.196 521 D C 2.057 178.340 176.300 -0.029 0.000 0.992 521 D CA 0.956 54.988 54.000 0.052 0.000 0.833 521 D CB -0.205 40.749 40.800 0.256 0.000 0.954 521 D HN 0.315 nan 8.370 nan 0.000 0.455 522 M N -0.569 118.774 119.600 -0.428 0.000 2.132 522 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 522 M C 1.913 177.920 176.300 -0.489 0.000 1.065 522 M CA 1.268 56.046 55.300 -0.869 0.000 1.122 522 M CB -0.148 31.654 32.600 -1.331 0.000 1.365 522 M HN 0.189 nan 8.290 nan 0.000 0.411 523 C N -0.177 118.936 119.300 -0.312 0.000 2.432 523 C HA -0.116 4.344 4.460 -0.000 0.000 0.277 523 C C 2.680 177.580 174.990 -0.151 0.000 1.249 523 C CA 0.939 59.886 59.018 -0.118 0.000 1.725 523 C CB -1.012 26.709 27.740 -0.031 0.000 2.028 523 C HN 0.508 nan 8.230 nan 0.000 0.477 524 V N 0.629 120.483 119.914 -0.101 0.000 2.295 524 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 524 V C 2.399 178.468 176.094 -0.041 0.000 1.049 524 V CA 2.350 64.620 62.300 -0.051 0.000 1.024 524 V CB -0.676 31.166 31.823 0.031 0.000 0.648 524 V HN 0.596 nan 8.190 nan 0.000 0.447 525 M N 0.751 120.368 119.600 0.029 0.000 2.132 525 M HA -0.149 4.330 4.480 -0.000 0.000 0.263 525 M C 2.416 178.585 176.300 -0.218 0.000 1.065 525 M CA 2.223 57.606 55.300 0.139 0.000 1.122 525 M CB -0.177 32.666 32.600 0.406 0.000 1.365 525 M HN 0.552 nan 8.290 nan 0.000 0.411 526 S N 0.466 115.732 115.700 -0.724 0.000 2.423 526 S HA -0.026 4.444 4.470 -0.000 0.000 0.231 526 S C 1.969 176.166 174.600 -0.672 0.000 1.014 526 S CA 0.878 58.229 58.200 -1.415 0.000 0.965 526 S CB -0.799 61.311 63.200 -1.817 0.000 0.785 526 S HN 0.569 nan 8.310 nan 0.000 0.495 527 A N 2.126 124.657 122.820 -0.481 0.000 2.070 527 A HA -0.010 4.310 4.320 -0.000 0.000 0.220 527 A C 2.146 179.598 177.584 -0.220 0.000 1.159 527 A CA 1.336 53.148 52.037 -0.377 0.000 0.656 527 A CB -0.544 18.260 19.000 -0.327 0.000 0.800 527 A HN 0.621 nan 8.150 nan 0.000 0.453 528 K N -0.603 119.713 120.400 -0.140 0.000 2.362 528 K HA 0.016 4.336 4.320 -0.000 0.000 0.200 528 K C 1.164 177.756 176.600 -0.013 0.000 1.046 528 K CA 0.774 57.027 56.287 -0.057 0.000 0.952 528 K CB -0.008 32.494 32.500 0.004 0.000 0.753 528 K HN 0.418 nan 8.250 nan 0.000 0.466 529 I N -0.806 119.769 120.570 0.008 0.000 3.039 529 I HA 0.151 4.321 4.170 -0.000 0.000 0.270 529 I C 1.094 177.223 176.117 0.020 0.000 1.150 529 I CA 0.575 61.929 61.300 0.090 0.000 1.448 529 I CB -0.025 38.177 38.000 0.337 0.000 1.197 529 I HN 0.081 nan 8.210 nan 0.000 0.450 530 G N -0.515 108.243 108.800 -0.069 0.000 2.466 530 G HA2 0.480 4.440 3.960 -0.000 0.000 0.291 530 G HA3 0.480 4.440 3.960 -0.000 0.000 0.291 530 G C -0.664 174.090 174.900 -0.244 0.000 1.460 530 G CA -0.148 44.891 45.100 -0.103 0.000 0.791 530 G HN 0.274 nan 8.290 nan 0.000 0.505 531 G N -0.990 107.665 108.800 -0.242 0.000 2.572 531 G HA2 0.542 4.502 3.960 -0.000 0.000 0.261 531 G HA3 0.542 4.502 3.960 -0.000 0.000 0.261 531 G C -0.219 174.492 174.900 -0.315 0.000 1.197 531 G CA -0.528 44.336 45.100 -0.393 0.000 0.870 531 G HN 0.444 nan 8.290 nan 0.000 0.548 532 F N -0.709 119.150 119.950 -0.153 0.000 2.553 532 F HA 0.197 4.724 4.527 -0.000 0.000 0.356 532 F C 0.723 176.465 175.800 -0.096 0.000 1.142 532 F CA -0.661 57.244 58.000 -0.159 0.000 1.322 532 F CB 0.622 39.518 39.000 -0.173 0.000 1.126 532 F HN 0.200 nan 8.300 nan 0.000 0.599 533 L N 5.743 127.043 121.223 0.127 0.000 2.313 533 L HA 0.445 4.785 4.340 -0.000 0.000 0.282 533 L C -2.484 174.437 176.870 0.085 0.000 1.092 533 L CA -1.884 53.004 54.840 0.081 0.000 0.831 533 L CB 0.260 42.363 42.059 0.073 0.000 1.159 533 L HN 0.274 nan 8.230 nan 0.000 0.442 534 P HA 0.205 nan 4.420 nan 0.000 0.264 534 P C 0.591 177.944 177.300 0.088 0.000 1.183 534 P CA 1.053 64.194 63.100 0.070 0.000 0.763 534 P CB 0.705 32.439 31.700 0.058 0.000 0.807 535 G N 2.050 110.896 108.800 0.077 0.000 2.217 535 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.246 535 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.246 535 G C 0.459 175.450 174.900 0.152 0.000 0.990 535 G CA 0.181 45.347 45.100 0.111 0.000 0.627 535 G HN 0.521 nan 8.290 nan 0.000 0.522 536 S N 0.813 116.576 115.700 0.104 0.000 2.474 536 S HA 0.533 5.002 4.470 -0.000 0.000 0.224 536 S C 0.419 174.934 174.600 -0.142 0.000 1.209 536 S CA -0.537 57.709 58.200 0.076 0.000 1.212 536 S CB 0.319 63.541 63.200 0.036 0.000 1.137 536 S HN 0.461 nan 8.310 nan 0.000 0.446 537 L N 2.520 123.651 121.223 -0.154 0.000 2.466 537 L HA 0.380 4.720 4.340 -0.000 0.000 0.257 537 L C -2.020 174.551 176.870 -0.499 0.000 1.189 537 L CA -2.301 52.310 54.840 -0.381 0.000 0.813 537 L CB 0.032 41.932 42.059 -0.264 0.000 1.118 537 L HN 0.084 nan 8.230 nan 0.000 0.471 538 P HA 0.005 nan 4.420 nan 0.000 0.264 538 P C -1.457 175.610 177.300 -0.389 0.000 1.193 538 P CA 0.121 62.825 63.100 -0.660 0.000 0.763 538 P CB 0.491 31.701 31.700 -0.817 0.000 0.810 539 Q N 1.624 121.238 119.800 -0.309 0.000 2.472 539 Q HA 0.470 4.810 4.340 -0.000 0.000 0.281 539 Q C -1.431 174.426 176.000 -0.238 0.000 0.997 539 Q CA -0.882 54.822 55.803 -0.165 0.000 0.828 539 Q CB 0.668 29.389 28.738 -0.029 0.000 1.443 539 Q HN 0.106 nan 8.270 nan 0.000 0.390 540 F N 1.477 121.370 119.950 -0.095 0.000 2.429 540 F HA 0.321 4.848 4.527 -0.000 0.000 0.348 540 F C 0.816 176.583 175.800 -0.056 0.000 1.109 540 F CA -0.301 57.643 58.000 -0.093 0.000 1.232 540 F CB 0.959 39.893 39.000 -0.110 0.000 1.157 540 F HN 0.353 nan 8.300 nan 0.000 0.564 541 M N 1.692 121.339 119.600 0.079 0.000 2.247 541 M HA 0.104 4.583 4.480 -0.000 0.000 0.326 541 M C 0.303 176.645 176.300 0.070 0.000 1.134 541 M CA -0.292 55.026 55.300 0.031 0.000 1.136 541 M CB 0.716 33.289 32.600 -0.045 0.000 1.454 541 M HN 0.607 nan 8.290 nan 0.000 0.467 542 E N 2.671 122.887 120.200 0.026 0.000 2.608 542 E HA -0.005 4.345 4.350 -0.000 0.000 0.259 542 E C -2.192 174.429 176.600 0.035 0.000 0.951 542 E CA -1.197 55.216 56.400 0.022 0.000 0.945 542 E CB 0.370 30.058 29.700 -0.020 0.000 0.916 542 E HN 0.190 nan 8.360 nan 0.000 0.477 543 P HA 0.034 nan 4.420 nan 0.000 0.263 543 P C 0.260 177.494 177.300 -0.108 0.000 1.195 543 P CA 1.086 64.225 63.100 0.066 0.000 0.762 543 P CB 0.727 32.442 31.700 0.024 0.000 0.799 544 G N 2.619 111.360 108.800 -0.098 0.000 2.217 544 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.246 544 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.246 544 G C 0.771 175.627 174.900 -0.073 0.000 0.990 544 G CA 0.137 45.139 45.100 -0.164 0.000 0.627 544 G HN 0.514 nan 8.290 nan 0.000 0.522 545 L N 1.170 122.365 121.223 -0.046 0.000 2.187 545 L HA 0.129 4.469 4.340 -0.000 0.000 0.213 545 L C 2.880 179.739 176.870 -0.018 0.000 1.100 545 L CA 2.487 57.305 54.840 -0.037 0.000 0.765 545 L CB -0.418 41.610 42.059 -0.052 0.000 0.904 545 L HN 0.581 nan 8.230 nan 0.000 0.437 546 V N -0.093 119.814 119.914 -0.011 0.000 2.469 546 V HA -0.202 3.918 4.120 -0.000 0.000 0.251 546 V C 1.514 177.560 176.094 -0.080 0.000 1.064 546 V CA 1.455 63.738 62.300 -0.028 0.000 1.066 546 V CB -0.246 31.593 31.823 0.027 0.000 0.667 546 V HN 0.484 nan 8.190 nan 0.000 0.461 547 L N 0.123 121.360 121.223 0.024 0.000 3.548 547 L HA -0.217 4.123 4.340 -0.000 0.000 0.443 547 L C 0.234 177.287 176.870 0.305 0.000 1.286 547 L CA 0.870 55.789 54.840 0.132 0.000 0.863 547 L CB -2.544 39.618 42.059 0.171 0.000 1.734 547 L HN 0.583 nan 8.230 nan 0.000 0.873 548 H N -0.529 118.657 119.070 0.193 0.000 2.505 548 H HA 0.279 4.835 4.556 -0.000 0.000 0.260 548 H C 0.422 175.900 175.328 0.250 0.000 1.168 548 H CA -1.082 55.123 56.048 0.261 0.000 0.945 548 H CB 0.764 30.732 29.762 0.342 0.000 1.800 548 H HN 0.193 nan 8.280 nan 0.000 0.586 549 L N 1.979 123.357 121.223 0.258 0.000 2.559 549 L HA 0.195 4.535 4.340 -0.000 0.000 0.274 549 L C 0.611 177.615 176.870 0.223 0.000 1.205 549 L CA 0.740 55.678 54.840 0.165 0.000 0.907 549 L CB 0.308 42.431 42.059 0.108 0.000 1.153 549 L HN 0.309 nan 8.230 nan 0.000 0.490 550 G N 1.888 110.830 108.800 0.236 0.000 2.658 550 G HA2 0.559 4.519 3.960 -0.000 0.000 0.292 550 G HA3 0.559 4.519 3.960 -0.000 0.000 0.292 550 G C 0.286 175.290 174.900 0.174 0.000 1.320 550 G CA -0.239 45.020 45.100 0.265 0.000 0.933 550 G HN 1.281 nan 8.290 nan 0.000 0.476 551 G N -1.099 107.767 108.800 0.110 0.000 2.195 551 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.246 551 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.246 551 G C 1.381 176.340 174.900 0.098 0.000 0.984 551 G CA 1.343 46.520 45.100 0.129 0.000 0.633 551 G HN 1.836 nan 8.290 nan 0.000 0.525 552 T N -1.434 113.127 114.554 0.011 0.000 3.035 552 T HA 0.205 4.555 4.350 -0.000 0.000 0.268 552 T C 0.967 175.755 174.700 0.146 0.000 1.109 552 T CA 1.807 63.962 62.100 0.091 0.000 1.119 552 T CB -0.314 68.619 68.868 0.109 0.000 0.900 552 T HN 1.479 nan 8.240 nan 0.000 0.503 553 H N -0.200 118.941 119.070 0.117 0.000 2.600 553 H HA 0.469 5.024 4.556 -0.000 0.000 0.224 553 H C -0.169 175.197 175.328 0.063 0.000 1.413 553 H CA -1.352 54.740 56.048 0.073 0.000 1.401 553 H CB -0.245 29.523 29.762 0.011 0.000 1.772 553 H HN 0.335 nan 8.280 nan 0.000 0.528 554 R N 0.907 121.491 120.500 0.141 0.000 2.582 554 R HA 0.357 4.697 4.340 -0.000 0.000 0.271 554 R C -0.348 176.007 176.300 0.091 0.000 1.078 554 R CA -0.817 55.336 56.100 0.087 0.000 1.127 554 R CB 1.071 31.415 30.300 0.073 0.000 1.038 554 R HN 0.477 nan 8.270 nan 0.000 0.500 555 M N 1.351 120.981 119.600 0.049 0.000 2.274 555 M HA 0.439 4.918 4.480 -0.000 0.000 0.344 555 M C -0.500 175.793 176.300 -0.011 0.000 1.161 555 M CA 0.302 55.606 55.300 0.006 0.000 1.126 555 M CB 1.499 34.079 32.600 -0.032 0.000 1.522 555 M HN 0.953 nan 8.290 nan 0.000 0.461 556 G N 2.178 110.983 108.800 0.008 0.000 2.550 556 G HA2 0.387 4.347 3.960 -0.000 0.000 0.293 556 G HA3 0.387 4.347 3.960 -0.000 0.000 0.293 556 G C -0.890 174.010 174.900 0.001 0.000 1.402 556 G CA -0.704 44.349 45.100 -0.078 0.000 0.784 556 G HN 0.664 nan 8.290 nan 0.000 0.482 557 F N -0.014 120.036 119.950 0.166 0.000 2.293 557 F HA 0.257 4.784 4.527 -0.000 0.000 0.297 557 F C 1.095 177.016 175.800 0.201 0.000 1.089 557 F CA 1.139 59.239 58.000 0.166 0.000 1.377 557 F CB 0.382 39.438 39.000 0.092 0.000 1.051 557 F HN 0.388 nan 8.300 nan 0.000 0.511 558 D N -1.111 119.445 120.400 0.259 0.000 2.863 558 D HA 0.120 4.759 4.640 -0.000 0.000 0.245 558 D C 0.667 176.784 176.300 -0.305 0.000 1.211 558 D CA -0.257 53.730 54.000 -0.022 0.000 0.888 558 D CB 1.246 42.060 40.800 0.024 0.000 1.483 558 D HN 0.066 nan 8.370 nan 0.000 0.533 559 E N 3.211 122.866 120.200 -0.908 0.000 2.070 559 E HA -0.281 4.068 4.350 -0.000 0.000 0.197 559 E C 1.360 177.771 176.600 -0.315 0.000 1.004 559 E CA 1.259 57.110 56.400 -0.916 0.000 0.805 559 E CB 0.264 29.272 29.700 -1.154 0.000 0.744 559 E HN 0.456 nan 8.360 nan 0.000 0.451 560 K N 0.205 120.468 120.400 -0.228 0.000 2.021 560 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 560 K C 2.040 178.607 176.600 -0.056 0.000 1.047 560 K CA 1.450 57.677 56.287 -0.100 0.000 0.943 560 K CB 0.039 32.495 32.500 -0.075 0.000 0.725 560 K HN 0.079 nan 8.250 nan 0.000 0.439 561 E N 0.150 120.321 120.200 -0.049 0.000 2.152 561 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 561 E C 0.664 177.263 176.600 -0.002 0.000 0.983 561 E CA 0.960 57.355 56.400 -0.008 0.000 0.818 561 E CB 0.217 29.925 29.700 0.013 0.000 0.758 561 E HN 0.363 nan 8.360 nan 0.000 0.467 562 D N 0.299 120.693 120.400 -0.011 0.000 2.368 562 D HA 0.047 4.687 4.640 -0.000 0.000 0.218 562 D C -0.651 175.590 176.300 -0.097 0.000 1.112 562 D CA -0.014 53.975 54.000 -0.019 0.000 0.834 562 D CB 0.043 40.868 40.800 0.041 0.000 0.953 562 D HN 0.076 nan 8.370 nan 0.000 0.505 563 N N 0.694 119.336 118.700 -0.098 0.000 2.669 563 N HA -0.195 4.545 4.740 -0.000 0.000 0.266 563 N C -0.279 175.158 175.510 -0.122 0.000 1.024 563 N CA 0.578 53.549 53.050 -0.132 0.000 0.766 563 N CB -1.350 36.940 38.487 -0.327 0.000 0.898 563 N HN 0.417 nan 8.380 nan 0.000 0.548 564 C N -3.392 115.918 119.300 0.016 0.000 3.285 564 C HA 0.774 5.234 4.460 -0.000 0.000 0.320 564 C C 1.330 176.505 174.990 0.310 0.000 1.411 564 C CA -0.696 58.405 59.018 0.139 0.000 1.429 564 C CB 1.570 29.413 27.740 0.172 0.000 1.812 564 C HN 0.490 nan 8.230 nan 0.000 0.454 565 C N 0.237 119.739 119.300 0.337 0.000 2.937 565 C HA 0.483 4.943 4.460 -0.000 0.000 0.426 565 C C 0.702 175.763 174.990 0.119 0.000 1.321 565 C CA 0.614 59.819 59.018 0.313 0.000 2.082 565 C CB -0.330 27.512 27.740 0.171 0.000 2.834 565 C HN 0.953 nan 8.230 nan 0.000 0.593 566 V N 1.354 121.217 119.914 -0.084 0.000 3.001 566 V HA 0.714 4.834 4.120 -0.000 0.000 0.314 566 V C -0.711 174.995 176.094 -0.647 0.000 1.099 566 V CA -0.655 61.342 62.300 -0.504 0.000 0.989 566 V CB 1.481 33.154 31.823 -0.250 0.000 1.040 566 V HN 0.419 nan 8.190 nan 0.000 0.434 567 N N 0.642 118.825 118.700 -0.861 0.000 2.431 567 N HA 0.248 4.988 4.740 -0.000 0.000 0.289 567 N C 1.039 176.413 175.510 -0.227 0.000 1.277 567 N CA 0.202 52.991 53.050 -0.435 0.000 0.972 567 N CB -0.180 38.099 38.487 -0.348 0.000 1.143 567 N HN 0.925 nan 8.380 nan 0.000 0.578 568 T N -4.786 109.686 114.554 -0.137 0.000 3.163 568 T HA -0.001 4.348 4.350 -0.000 0.000 0.260 568 T C 0.090 174.717 174.700 -0.121 0.000 1.156 568 T CA 0.613 62.630 62.100 -0.138 0.000 1.072 568 T CB -0.423 68.383 68.868 -0.103 0.000 0.937 568 T HN 0.434 nan 8.240 nan 0.000 0.528 569 D N 1.119 121.439 120.400 -0.133 0.000 2.328 569 D HA 0.172 4.812 4.640 -0.000 0.000 0.221 569 D C 0.601 176.909 176.300 0.014 0.000 1.072 569 D CA 0.122 54.064 54.000 -0.098 0.000 0.850 569 D CB 0.071 40.705 40.800 -0.277 0.000 0.922 569 D HN 0.344 nan 8.370 nan 0.000 0.516 570 S N 0.273 115.948 115.700 -0.042 0.000 3.445 570 S HA -0.270 4.200 4.470 -0.000 0.000 0.319 570 S C 0.574 175.169 174.600 -0.009 0.000 1.209 570 S CA 0.512 58.720 58.200 0.013 0.000 0.934 570 S CB -1.380 61.906 63.200 0.144 0.000 0.999 570 S HN 0.477 nan 8.310 nan 0.000 0.582 571 R N 1.098 121.467 120.500 -0.219 0.000 2.308 571 R HA 0.466 4.806 4.340 -0.000 0.000 0.305 571 R C -0.055 175.916 176.300 -0.549 0.000 1.053 571 R CA -0.438 55.306 56.100 -0.592 0.000 0.957 571 R CB 0.681 30.586 30.300 -0.658 0.000 1.022 571 R HN 0.131 nan 8.270 nan 0.000 0.461 572 V N 6.209 125.836 119.914 -0.479 0.000 2.529 572 V HA 0.003 4.123 4.120 -0.000 0.000 0.292 572 V C 0.171 176.186 176.094 -0.132 0.000 1.028 572 V CA 0.217 62.323 62.300 -0.324 0.000 1.074 572 V CB -0.144 31.480 31.823 -0.332 0.000 0.958 572 V HN 0.567 nan 8.190 nan 0.000 0.481 573 F N 3.868 123.850 119.950 0.053 0.000 2.629 573 F HA 0.374 4.901 4.527 -0.000 0.000 0.377 573 F C 1.599 177.520 175.800 0.202 0.000 1.101 573 F CA 1.570 59.626 58.000 0.094 0.000 1.301 573 F CB -0.135 38.916 39.000 0.085 0.000 1.062 573 F HN 0.789 nan 8.300 nan 0.000 0.583 574 G N 1.997 110.976 108.800 0.298 0.000 2.268 574 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.240 574 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.240 574 G C -0.065 174.761 174.900 -0.123 0.000 1.010 574 G CA -0.403 44.762 45.100 0.108 0.000 0.618 574 G HN 0.435 nan 8.290 nan 0.000 0.516 575 F N 1.285 121.257 119.950 0.036 0.000 2.436 575 F HA 0.628 5.155 4.527 -0.000 0.000 0.340 575 F C 1.392 177.177 175.800 -0.025 0.000 1.113 575 F CA -0.965 57.041 58.000 0.011 0.000 1.022 575 F CB 1.678 40.680 39.000 0.002 0.000 1.128 575 F HN -0.239 nan 8.300 nan 0.000 0.466 576 K N 1.679 122.170 120.400 0.151 0.000 2.155 576 K HA -0.052 4.268 4.320 -0.000 0.000 0.203 576 K C 0.732 177.544 176.600 0.354 0.000 1.052 576 K CA 0.934 57.354 56.287 0.222 0.000 0.948 576 K CB -0.081 32.555 32.500 0.227 0.000 0.728 576 K HN 0.660 nan 8.250 nan 0.000 0.448 577 N N -0.058 118.819 118.700 0.295 0.000 2.387 577 N HA 0.043 4.783 4.740 -0.000 0.000 0.259 577 N C -0.729 174.904 175.510 0.205 0.000 1.369 577 N CA -0.347 52.930 53.050 0.378 0.000 0.867 577 N CB -0.106 38.654 38.487 0.455 0.000 1.341 577 N HN -0.061 nan 8.380 nan 0.000 0.495 578 L N 0.654 121.777 121.223 -0.166 0.000 2.356 578 L HA 0.719 5.059 4.340 -0.000 0.000 0.277 578 L C -1.754 174.740 176.870 -0.627 0.000 0.996 578 L CA -0.594 54.117 54.840 -0.215 0.000 0.822 578 L CB 0.953 42.869 42.059 -0.238 0.000 1.256 578 L HN -0.025 nan 8.230 nan 0.000 0.413 579 F N 4.687 124.555 119.950 -0.137 0.000 2.563 579 F HA 0.676 5.203 4.527 -0.000 0.000 0.316 579 F C -0.606 175.039 175.800 -0.259 0.000 1.076 579 F CA -0.675 57.224 58.000 -0.169 0.000 0.921 579 F CB 1.872 40.804 39.000 -0.114 0.000 1.209 579 F HN 0.197 nan 8.300 nan 0.000 0.462 580 L N 1.556 122.730 121.223 -0.082 0.000 2.346 580 L HA 0.911 5.251 4.340 -0.000 0.000 0.274 580 L C 0.001 176.869 176.870 -0.004 0.000 1.007 580 L CA -0.833 53.890 54.840 -0.195 0.000 0.818 580 L CB 1.987 43.783 42.059 -0.439 0.000 1.284 580 L HN 0.776 nan 8.230 nan 0.000 0.424 581 G N 0.098 108.909 108.800 0.018 0.000 2.519 581 G HA2 0.798 4.758 3.960 -0.000 0.000 0.307 581 G HA3 0.798 4.758 3.960 -0.000 0.000 0.307 581 G C -0.613 174.405 174.900 0.196 0.000 1.266 581 G CA -0.352 44.865 45.100 0.195 0.000 0.970 581 G HN 0.966 nan 8.290 nan 0.000 0.481 582 G N -1.399 107.507 108.800 0.176 0.000 2.355 582 G HA2 0.098 4.058 3.960 -0.000 0.000 0.619 582 G HA3 0.098 4.058 3.960 -0.000 0.000 0.619 582 G C 0.718 175.660 174.900 0.071 0.000 1.337 582 G CA 0.034 45.213 45.100 0.131 0.000 0.993 582 G HN 1.169 nan 8.290 nan 0.000 0.599 583 C N 0.527 119.848 119.300 0.034 0.000 2.419 583 C HA 0.155 4.615 4.460 -0.000 0.000 0.283 583 C C 3.053 178.017 174.990 -0.043 0.000 1.373 583 C CA 1.871 60.891 59.018 0.002 0.000 1.781 583 C CB -1.335 26.442 27.740 0.061 0.000 1.886 583 C HN 1.294 nan 8.230 nan 0.000 0.520 584 G N 1.149 109.830 108.800 -0.198 0.000 2.479 584 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 584 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 584 G C 1.423 175.945 174.900 -0.630 0.000 1.115 584 G CA 0.848 45.544 45.100 -0.673 0.000 0.757 584 G HN 0.564 nan 8.290 nan 0.000 0.560 585 N N 0.276 118.828 118.700 -0.247 0.000 2.409 585 N HA 0.034 4.774 4.740 -0.000 0.000 0.179 585 N C 0.902 176.423 175.510 0.018 0.000 1.032 585 N CA 0.132 53.185 53.050 0.005 0.000 0.898 585 N CB 0.068 38.609 38.487 0.091 0.000 0.971 585 N HN 0.304 nan 8.380 nan 0.000 0.441 586 I N 3.118 123.702 120.570 0.022 0.000 2.517 586 I HA 0.035 4.205 4.170 -0.000 0.000 0.285 586 I C -1.339 174.871 176.117 0.155 0.000 1.106 586 I CA -0.964 60.385 61.300 0.081 0.000 1.402 586 I CB 1.223 39.240 38.000 0.027 0.000 1.399 586 I HN -0.066 nan 8.210 nan 0.000 0.535 587 P HA 0.064 nan 4.420 nan 0.000 0.267 587 P C 0.233 177.620 177.300 0.145 0.000 1.289 587 P CA 0.183 63.352 63.100 0.114 0.000 0.866 587 P CB 0.218 31.943 31.700 0.042 0.000 1.309 588 T N -2.166 112.511 114.554 0.205 0.000 2.897 588 T HA 0.679 5.028 4.350 -0.000 0.000 0.278 588 T C 0.199 175.025 174.700 0.210 0.000 0.981 588 T CA -0.862 61.346 62.100 0.180 0.000 0.973 588 T CB 1.189 70.146 68.868 0.148 0.000 1.092 588 T HN 0.052 nan 8.240 nan 0.000 0.543 589 A N 1.777 124.656 122.820 0.099 0.000 2.302 589 A HA 0.608 4.928 4.320 -0.000 0.000 0.295 589 A C -0.655 176.892 177.584 -0.062 0.000 1.235 589 A CA -0.846 51.197 52.037 0.010 0.000 0.876 589 A CB -0.879 18.152 19.000 0.052 0.000 1.133 589 A HN 0.862 nan 8.150 nan 0.000 0.533 590 Y N -0.353 119.875 120.300 -0.121 0.000 2.512 590 Y HA 0.727 5.277 4.550 -0.000 0.000 0.348 590 Y C 0.723 176.523 175.900 -0.167 0.000 0.990 590 Y CA -0.713 57.134 58.100 -0.422 0.000 1.033 590 Y CB 1.433 39.404 38.460 -0.815 0.000 1.259 590 Y HN 0.388 nan 8.280 nan 0.000 0.461 591 G N 0.508 109.267 108.800 -0.068 0.000 2.724 591 G HA2 0.395 4.355 3.960 -0.000 0.000 0.205 591 G HA3 0.395 4.355 3.960 -0.000 0.000 0.205 591 G C 0.427 175.462 174.900 0.225 0.000 1.112 591 G CA 0.166 45.429 45.100 0.271 0.000 0.793 591 G HN 0.954 nan 8.290 nan 0.000 0.526 592 A N 0.770 123.542 122.820 -0.079 0.000 2.406 592 A HA 0.458 4.778 4.320 -0.000 0.000 0.243 592 A C -0.083 177.443 177.584 -0.097 0.000 1.082 592 A CA -0.439 51.428 52.037 -0.283 0.000 0.786 592 A CB 0.015 18.842 19.000 -0.287 0.000 1.029 592 A HN 0.373 nan 8.150 nan 0.000 0.495 593 N N 2.108 120.615 118.700 -0.322 0.000 2.468 593 N HA 0.242 4.982 4.740 -0.000 0.000 0.265 593 N C -1.996 173.420 175.510 -0.156 0.000 1.199 593 N CA -0.895 51.958 53.050 -0.330 0.000 0.928 593 N CB 0.540 38.894 38.487 -0.221 0.000 1.059 593 N HN 0.429 nan 8.380 nan 0.000 0.467 594 P HA -0.014 nan 4.420 nan 0.000 0.245 594 P C 0.417 177.585 177.300 -0.220 0.000 1.206 594 P CA 0.619 63.572 63.100 -0.245 0.000 0.781 594 P CB 0.316 31.819 31.700 -0.328 0.000 0.994 595 T N 0.936 115.439 114.554 -0.085 0.000 2.788 595 T HA -0.138 4.211 4.350 -0.000 0.000 0.268 595 T C 1.755 176.528 174.700 0.120 0.000 1.044 595 T CA 0.984 63.101 62.100 0.028 0.000 1.139 595 T CB -0.741 68.167 68.868 0.066 0.000 0.867 595 T HN 0.038 nan 8.240 nan 0.000 0.454 596 L N 0.930 122.238 121.223 0.142 0.000 2.141 596 L HA -0.038 4.301 4.340 -0.000 0.000 0.209 596 L C 2.485 179.422 176.870 0.113 0.000 1.094 596 L CA 1.621 56.607 54.840 0.244 0.000 0.763 596 L CB -0.911 41.279 42.059 0.218 0.000 0.908 596 L HN 0.166 nan 8.230 nan 0.000 0.437 597 T N -0.478 114.007 114.554 -0.115 0.000 2.777 597 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 597 T C 1.909 176.513 174.700 -0.161 0.000 1.040 597 T CA 1.159 63.096 62.100 -0.272 0.000 1.141 597 T CB -0.401 67.891 68.868 -0.960 0.000 0.868 597 T HN 0.499 nan 8.240 nan 0.000 0.444 598 A N 1.615 124.347 122.820 -0.147 0.000 1.933 598 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 598 A C 2.304 179.851 177.584 -0.061 0.000 1.175 598 A CA 1.804 53.797 52.037 -0.074 0.000 0.628 598 A CB -0.728 18.248 19.000 -0.040 0.000 0.814 598 A HN 0.537 nan 8.150 nan 0.000 0.444 599 M N -0.237 119.334 119.600 -0.047 0.000 2.159 599 M HA -0.139 4.340 4.480 -0.000 0.000 0.263 599 M C 2.051 178.258 176.300 -0.156 0.000 1.063 599 M CA 2.105 57.349 55.300 -0.094 0.000 1.110 599 M CB -0.165 32.375 32.600 -0.100 0.000 1.374 599 M HN 0.369 nan 8.290 nan 0.000 0.411 600 S N 1.245 116.852 115.700 -0.155 0.000 2.368 600 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 600 S C 1.770 176.179 174.600 -0.317 0.000 1.030 600 S CA 1.411 59.453 58.200 -0.265 0.000 0.999 600 S CB -0.544 62.443 63.200 -0.355 0.000 0.844 600 S HN 0.525 nan 8.310 nan 0.000 0.459 601 L N 1.169 122.246 121.223 -0.244 0.000 2.042 601 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 601 L C 2.805 179.542 176.870 -0.221 0.000 1.076 601 L CA 1.238 55.938 54.840 -0.234 0.000 0.749 601 L CB -0.742 41.250 42.059 -0.112 0.000 0.893 601 L HN 0.334 nan 8.230 nan 0.000 0.432 602 A N 0.268 122.955 122.820 -0.223 0.000 1.933 602 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 602 A C 2.214 179.478 177.584 -0.534 0.000 1.175 602 A CA 1.370 53.163 52.037 -0.406 0.000 0.628 602 A CB -0.603 18.171 19.000 -0.376 0.000 0.814 602 A HN 0.342 nan 8.150 nan 0.000 0.444 603 I N -0.405 119.943 120.570 -0.369 0.000 2.163 603 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 603 I C 2.545 178.492 176.117 -0.283 0.000 1.085 603 I CA 2.004 63.118 61.300 -0.309 0.000 1.347 603 I CB -0.257 37.580 38.000 -0.271 0.000 1.044 603 I HN 0.380 nan 8.210 nan 0.000 0.408 604 K N 0.531 120.762 120.400 -0.281 0.000 2.063 604 K HA -0.244 4.076 4.320 -0.000 0.000 0.208 604 K C 2.360 178.867 176.600 -0.155 0.000 1.048 604 K CA 1.922 58.075 56.287 -0.224 0.000 0.928 604 K CB -0.171 32.165 32.500 -0.274 0.000 0.713 604 K HN 0.153 nan 8.250 nan 0.000 0.442 605 S N -0.003 115.586 115.700 -0.185 0.000 2.370 605 S HA -0.187 4.283 4.470 -0.000 0.000 0.226 605 S C 2.053 176.545 174.600 -0.180 0.000 1.033 605 S CA 1.559 59.690 58.200 -0.115 0.000 1.011 605 S CB -0.509 62.667 63.200 -0.040 0.000 0.852 605 S HN 0.581 nan 8.310 nan 0.000 0.457 606 C N 1.402 120.507 119.300 -0.325 0.000 2.422 606 C HA 0.016 4.476 4.460 -0.000 0.000 0.279 606 C C 2.497 177.396 174.990 -0.151 0.000 1.305 606 C CA 0.685 59.529 59.018 -0.290 0.000 1.757 606 C CB -1.469 26.066 27.740 -0.341 0.000 1.962 606 C HN 0.683 nan 8.230 nan 0.000 0.499 607 E N -0.570 119.566 120.200 -0.106 0.000 2.077 607 E HA -0.243 4.106 4.350 -0.000 0.000 0.193 607 E C 1.837 178.443 176.600 0.010 0.000 0.989 607 E CA 1.419 57.791 56.400 -0.046 0.000 0.800 607 E CB -0.312 29.358 29.700 -0.050 0.000 0.746 607 E HN 0.824 nan 8.360 nan 0.000 0.452 608 Y N 1.326 121.591 120.300 -0.059 0.000 2.145 608 Y HA -0.235 4.315 4.550 -0.000 0.000 0.286 608 Y C 1.990 177.921 175.900 0.051 0.000 1.145 608 Y CA 1.540 59.651 58.100 0.018 0.000 1.148 608 Y CB -0.117 38.393 38.460 0.084 0.000 0.981 608 Y HN -0.055 nan 8.280 nan 0.000 0.507 609 I N 0.356 120.954 120.570 0.047 0.000 2.208 609 I HA -0.348 3.821 4.170 -0.000 0.000 0.245 609 I C 2.248 178.410 176.117 0.074 0.000 1.097 609 I CA 1.772 63.085 61.300 0.022 0.000 1.363 609 I CB -0.390 37.406 38.000 -0.339 0.000 1.051 609 I HN 0.175 nan 8.210 nan 0.000 0.413 610 K N 0.260 120.668 120.400 0.013 0.000 2.283 610 K HA -0.159 4.160 4.320 -0.000 0.000 0.202 610 K C 1.908 178.546 176.600 0.063 0.000 1.048 610 K CA 0.987 57.349 56.287 0.126 0.000 0.948 610 K CB -0.047 32.504 32.500 0.086 0.000 0.742 610 K HN 0.430 nan 8.250 nan 0.000 0.458 611 Q N -0.279 119.489 119.800 -0.055 0.000 2.425 611 Q HA 0.077 4.416 4.340 -0.000 0.000 0.204 611 Q C 0.841 176.708 176.000 -0.221 0.000 0.933 611 Q CA 0.461 56.187 55.803 -0.128 0.000 0.939 611 Q CB 0.483 29.128 28.738 -0.155 0.000 1.044 611 Q HN 0.255 nan 8.270 nan 0.000 0.513 612 N N -1.032 117.510 118.700 -0.263 0.000 2.113 612 N HA 0.150 4.890 4.740 -0.000 0.000 0.223 612 N C -0.988 174.103 175.510 -0.698 0.000 1.310 612 N CA 0.244 52.990 53.050 -0.506 0.000 0.896 612 N CB 1.106 39.119 38.487 -0.790 0.000 1.097 612 N HN 0.000 nan 8.380 nan 0.000 0.507 613 F N 0.592 120.563 119.950 0.035 0.000 2.569 613 F HA 0.341 4.868 4.527 -0.000 0.000 0.312 613 F C 0.118 176.037 175.800 0.198 0.000 1.109 613 F CA -0.631 57.449 58.000 0.133 0.000 0.919 613 F CB 1.895 40.990 39.000 0.159 0.000 1.211 613 F HN -0.383 nan 8.300 nan 0.000 0.446 614 T N 4.172 118.886 114.554 0.266 0.000 2.799 614 T HA 0.427 4.777 4.350 -0.000 0.000 0.286 614 T C -2.485 172.231 174.700 0.026 0.000 0.973 614 T CA -1.331 60.826 62.100 0.095 0.000 1.035 614 T CB 1.090 69.981 68.868 0.038 0.000 0.932 614 T HN 0.145 nan 8.240 nan 0.000 0.469 615 P HA 0.189 nan 4.420 nan 0.000 0.272 615 P C -0.169 177.059 177.300 -0.120 0.000 1.223 615 P CA -0.587 62.281 63.100 -0.388 0.000 0.784 615 P CB 0.305 31.584 31.700 -0.703 0.000 0.923 616 S N 2.328 118.002 115.700 -0.043 0.000 2.572 616 S HA 0.288 4.758 4.470 -0.000 0.000 0.279 616 S C -2.044 172.559 174.600 0.006 0.000 1.341 616 S CA -0.956 57.243 58.200 -0.002 0.000 1.043 616 S CB -0.771 62.438 63.200 0.015 0.000 0.887 616 S HN 0.329 nan 8.310 nan 0.000 0.516 617 P HA 0.168 nan 4.420 nan 0.000 0.271 617 P C -0.902 176.493 177.300 0.159 0.000 1.216 617 P CA -0.403 62.736 63.100 0.064 0.000 0.776 617 P CB 0.163 31.887 31.700 0.040 0.000 0.881 618 F N 3.444 123.378 119.950 -0.026 0.000 2.368 618 F HA 0.315 4.842 4.527 -0.000 0.000 0.362 618 F C -0.090 175.702 175.800 -0.012 0.000 1.137 618 F CA -0.374 57.617 58.000 -0.016 0.000 1.161 618 F CB -0.256 38.737 39.000 -0.012 0.000 1.265 618 F HN 0.146 nan 8.300 nan 0.000 0.530 619 T N 0.000 114.683 114.554 0.215 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 619 T CA 0.000 62.094 62.100 -0.009 0.000 1.349 619 T CB 0.000 68.888 68.868 0.034 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658