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 3n6r_1_K DATA FIRST_RESID 63 DATA SEQUENCE FNKILIANRG EIACRVIKTA RKMGISTVAI YSDADKQALH VQMADEAVHI DATA SEQUENCE GPPPANQSYI VIDKVMAAIR ATGAQAVHPG YGFLSENSKF AEALEAEGVI DATA SEQUENCE FVGPPKGAIE AMGDKITSKK IAQEANVSTV PGYMGLIEDA DEAVKISNQI DATA SEQUENCE GYPVMIKASA XXXXXXMRIA WNDQEAREGF QSSKNXXXXX XXXDRIFIEK DATA SEQUENCE FVTQPRHIEI QVLCDSHGNG IYLGERECSI QRRNQKVVEE APSPFLDEAT DATA SEQUENCE RRAMGEQAVA LAKAVGYASA GTVEFIVDGQ KNFYFLEMNT RLQVEHPVTE DATA SEQUENCE LITGVDLVEQ MIRVAAGEPL SITQGDVKLT GWAIENRLYA EDPYRGFXLP DATA SEQUENCE SIGRLTRYRE XXXXXAVRND TGVYEGGEIS MYYDPMIAKL CTWAPTRAAA DATA SEQUENCE IEAMRIALDS FEVEGIGHNL PFLSAVMDHP KFISGDMTTA FIAEEYPEGF DATA SEQUENCE EGVNLPETDL RRVAAAAAAM HRVAEIRRTR VSGRMDXNHE RRVGTEWVVT DATA SEQUENCE LQGADFPVTI AADHDGSTVS FDXDGSSMRV TSDWTPGDQL ANLMVDGAPL DATA SEQUENCE VLKVGKISXX GGFRIRTRGA DLKVHVRTPR QAELARLMPE KLPPDTSKML DATA SEQUENCE LCPMPGLIVK VDVEVGQEVQ EGQALCTIEA MKMENILRAE KKGVVAKINA DATA SEQUENCE SAGNSLAVDD VIMEFE 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 63 F HA 0.000 nan 4.527 nan 0.000 0.279 63 F C 0.000 175.811 175.800 0.019 0.000 0.967 63 F CA 0.000 58.012 58.000 0.020 0.000 1.383 63 F CB 0.000 39.012 39.000 0.020 0.000 1.145 64 N N -0.071 118.724 118.700 0.158 0.000 3.684 64 N HA 0.194 4.934 4.740 -0.000 0.000 0.318 64 N C -1.484 174.071 175.510 0.074 0.000 1.127 64 N CA -1.174 51.940 53.050 0.107 0.000 0.674 64 N CB 0.454 38.992 38.487 0.084 0.000 3.706 64 N HN 0.196 nan 8.380 nan 0.000 0.477 65 K N 1.699 122.132 120.400 0.055 0.000 2.160 65 K HA 0.123 4.443 4.320 -0.000 0.000 0.263 65 K C -0.240 176.386 176.600 0.044 0.000 1.120 65 K CA 0.190 56.505 56.287 0.047 0.000 1.115 65 K CB -0.852 31.671 32.500 0.039 0.000 0.971 65 K HN 0.430 nan 8.250 nan 0.000 0.400 66 I N 1.712 122.313 120.570 0.052 0.000 2.362 66 I HA 0.320 4.490 4.170 -0.000 0.000 0.289 66 I C -0.432 175.721 176.117 0.060 0.000 0.994 66 I CA -1.004 60.327 61.300 0.052 0.000 1.158 66 I CB 0.656 38.692 38.000 0.060 0.000 1.315 66 I HN 0.404 nan 8.210 nan 0.000 0.451 67 L N 6.572 127.833 121.223 0.064 0.000 2.479 67 L HA 0.568 4.908 4.340 -0.000 0.000 0.249 67 L C -0.836 176.082 176.870 0.081 0.000 1.178 67 L CA -0.327 54.557 54.840 0.074 0.000 0.811 67 L CB 1.120 43.226 42.059 0.079 0.000 1.187 67 L HN 0.621 nan 8.230 nan 0.000 0.480 68 I N 1.609 122.224 120.570 0.075 0.000 2.466 68 I HA 0.359 4.529 4.170 -0.000 0.000 0.289 68 I C 0.487 176.639 176.117 0.058 0.000 1.026 68 I CA 0.072 61.399 61.300 0.044 0.000 1.078 68 I CB 1.893 39.886 38.000 -0.010 0.000 1.249 68 I HN 0.635 nan 8.210 nan 0.000 0.429 69 A N 4.674 127.519 122.820 0.041 0.000 2.251 69 A HA 0.197 4.517 4.320 -0.000 0.000 0.209 69 A C 0.893 178.539 177.584 0.104 0.000 1.187 69 A CA 0.522 52.578 52.037 0.032 0.000 0.823 69 A CB -0.460 18.460 19.000 -0.133 0.000 0.846 69 A HN 0.780 nan 8.150 nan 0.000 0.486 70 N N -1.106 117.592 118.700 -0.003 0.000 2.823 70 N HA 0.584 5.324 4.740 -0.000 0.000 0.324 70 N C 0.471 175.775 175.510 -0.343 0.000 1.336 70 N CA -0.531 52.445 53.050 -0.122 0.000 0.861 70 N CB 0.864 39.141 38.487 -0.350 0.000 1.157 70 N HN 0.417 nan 8.380 nan 0.000 0.585 71 R N -1.378 118.766 120.500 -0.593 0.000 3.167 71 R HA 0.460 4.800 4.340 -0.000 0.000 0.112 71 R C 0.721 176.637 176.300 -0.641 0.000 0.610 71 R CA -0.125 55.439 56.100 -0.893 0.000 0.397 71 R CB -0.676 29.078 30.300 -0.910 0.000 0.732 71 R HN 0.641 nan 8.270 nan 0.000 0.329 72 G N 0.975 109.474 108.800 -0.502 0.000 2.551 72 G HA2 -0.473 3.487 3.960 -0.000 0.000 0.383 72 G HA3 -0.473 3.487 3.960 -0.000 0.000 0.383 72 G C 0.768 175.545 174.900 -0.205 0.000 1.370 72 G CA 1.525 46.449 45.100 -0.293 0.000 0.940 72 G HN 0.912 nan 8.290 nan 0.000 0.524 73 E N -0.679 119.430 120.200 -0.151 0.000 2.072 73 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 73 E C 2.535 179.066 176.600 -0.114 0.000 0.985 73 E CA 1.673 58.020 56.400 -0.089 0.000 0.801 73 E CB -0.221 29.460 29.700 -0.032 0.000 0.750 73 E HN 0.568 nan 8.360 nan 0.000 0.452 74 I N 1.545 121.999 120.570 -0.195 0.000 2.151 74 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 74 I C 2.312 178.255 176.117 -0.290 0.000 1.080 74 I CA 1.616 62.752 61.300 -0.274 0.000 1.339 74 I CB -0.879 36.716 38.000 -0.675 0.000 1.039 74 I HN 0.252 nan 8.210 nan 0.000 0.409 75 A N -0.413 122.211 122.820 -0.327 0.000 1.873 75 A HA -0.303 4.016 4.320 -0.000 0.000 0.218 75 A C 2.475 179.977 177.584 -0.136 0.000 1.193 75 A CA 2.278 54.152 52.037 -0.271 0.000 0.629 75 A CB -1.656 17.130 19.000 -0.358 0.000 0.826 75 A HN 0.626 nan 8.150 nan 0.000 0.447 76 C N -1.357 117.896 119.300 -0.079 0.000 2.413 76 C HA -0.065 4.395 4.460 -0.000 0.000 0.276 76 C C 2.737 177.705 174.990 -0.036 0.000 1.248 76 C CA 1.237 60.241 59.018 -0.024 0.000 1.742 76 C CB -1.363 26.373 27.740 -0.008 0.000 2.017 76 C HN 0.737 nan 8.230 nan 0.000 0.481 77 R N 1.299 121.768 120.500 -0.052 0.000 2.113 77 R HA -0.152 4.188 4.340 -0.000 0.000 0.244 77 R C 2.081 178.356 176.300 -0.042 0.000 1.142 77 R CA 2.298 58.386 56.100 -0.020 0.000 0.953 77 R CB -1.205 29.101 30.300 0.011 0.000 0.860 77 R HN 0.390 nan 8.270 nan 0.000 0.438 78 V N -0.083 119.759 119.914 -0.121 0.000 2.283 78 V HA -0.099 4.021 4.120 -0.000 0.000 0.243 78 V C 2.218 178.280 176.094 -0.054 0.000 1.039 78 V CA 1.868 64.087 62.300 -0.134 0.000 1.016 78 V CB -0.283 31.343 31.823 -0.327 0.000 0.650 78 V HN 0.419 nan 8.190 nan 0.000 0.449 79 I N 0.237 120.778 120.570 -0.048 0.000 2.145 79 I HA -0.351 3.819 4.170 -0.000 0.000 0.244 79 I C 2.576 178.697 176.117 0.007 0.000 1.075 79 I CA 2.435 63.732 61.300 -0.005 0.000 1.332 79 I CB -0.547 37.459 38.000 0.011 0.000 1.033 79 I HN 0.337 nan 8.210 nan 0.000 0.410 80 K N 0.223 120.625 120.400 0.003 0.000 2.281 80 K HA -0.161 4.159 4.320 -0.000 0.000 0.203 80 K C 1.804 178.412 176.600 0.014 0.000 1.046 80 K CA 1.616 57.910 56.287 0.011 0.000 0.938 80 K CB 0.050 32.557 32.500 0.011 0.000 0.737 80 K HN 0.332 nan 8.250 nan 0.000 0.458 81 T N 0.018 114.580 114.554 0.015 0.000 2.925 81 T HA 0.088 4.438 4.350 -0.000 0.000 0.245 81 T C 1.795 176.514 174.700 0.032 0.000 1.025 81 T CA 0.709 62.824 62.100 0.024 0.000 1.149 81 T CB -0.173 68.713 68.868 0.029 0.000 0.866 81 T HN 0.327 nan 8.240 nan 0.000 0.437 82 A N 2.233 125.075 122.820 0.037 0.000 1.859 82 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 82 A C 2.230 179.840 177.584 0.044 0.000 1.209 82 A CA 2.202 54.269 52.037 0.051 0.000 0.639 82 A CB -0.752 18.279 19.000 0.052 0.000 0.835 82 A HN 0.387 nan 8.150 nan 0.000 0.450 83 R N -0.396 120.125 120.500 0.034 0.000 2.241 83 R HA -0.103 4.237 4.340 -0.000 0.000 0.224 83 R C 2.065 178.377 176.300 0.020 0.000 1.101 83 R CA 1.559 57.676 56.100 0.028 0.000 0.995 83 R CB -0.183 30.132 30.300 0.024 0.000 0.870 83 R HN 0.595 nan 8.270 nan 0.000 0.463 84 K N -0.253 120.158 120.400 0.018 0.000 2.365 84 K HA -0.006 4.314 4.320 -0.000 0.000 0.199 84 K C 0.705 177.309 176.600 0.006 0.000 1.045 84 K CA 0.816 57.109 56.287 0.011 0.000 0.962 84 K CB 0.275 32.781 32.500 0.009 0.000 0.759 84 K HN 0.155 nan 8.250 nan 0.000 0.469 85 M N 0.708 120.315 119.600 0.013 0.000 2.869 85 M HA 0.208 4.688 4.480 -0.000 0.000 0.353 85 M C -0.089 176.214 176.300 0.004 0.000 1.224 85 M CA -0.276 55.026 55.300 0.002 0.000 0.917 85 M CB 1.408 34.014 32.600 0.011 0.000 1.322 85 M HN 0.187 nan 8.290 nan 0.000 0.516 86 G N 2.461 111.265 108.800 0.008 0.000 2.195 86 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.256 86 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.256 86 G C -0.508 174.411 174.900 0.032 0.000 0.817 86 G CA 0.197 45.305 45.100 0.013 0.000 1.235 86 G HN 0.658 nan 8.290 nan 0.000 0.358 87 I N 0.599 121.197 120.570 0.047 0.000 2.497 87 I HA 0.174 4.344 4.170 -0.000 0.000 0.284 87 I C 0.595 176.749 176.117 0.061 0.000 1.060 87 I CA -0.853 60.490 61.300 0.072 0.000 1.071 87 I CB 1.981 40.039 38.000 0.096 0.000 1.216 87 I HN 0.153 nan 8.210 nan 0.000 0.442 88 S N 4.164 119.899 115.700 0.060 0.000 3.184 88 S HA -0.007 4.463 4.470 -0.000 0.000 0.376 88 S C 0.497 175.128 174.600 0.052 0.000 1.163 88 S CA 0.226 58.456 58.200 0.051 0.000 1.314 88 S CB -0.495 62.735 63.200 0.049 0.000 0.962 88 S HN 0.583 nan 8.310 nan 0.000 0.543 89 T N 3.230 117.813 114.554 0.048 0.000 2.899 89 T HA 0.521 4.871 4.350 -0.000 0.000 0.295 89 T C 0.193 174.926 174.700 0.056 0.000 1.033 89 T CA -0.660 61.471 62.100 0.051 0.000 1.084 89 T CB 0.928 69.823 68.868 0.045 0.000 0.979 89 T HN 0.309 nan 8.240 nan 0.000 0.532 90 V N 0.317 120.269 119.914 0.064 0.000 3.087 90 V HA 0.854 4.974 4.120 -0.000 0.000 0.306 90 V C -0.365 175.788 176.094 0.098 0.000 1.187 90 V CA -1.045 61.300 62.300 0.076 0.000 0.999 90 V CB 1.988 33.851 31.823 0.066 0.000 1.049 90 V HN 1.236 nan 8.190 nan 0.000 0.431 91 A N 3.067 125.966 122.820 0.131 0.000 2.564 91 A HA 1.036 5.356 4.320 -0.000 0.000 0.288 91 A C -1.113 176.596 177.584 0.207 0.000 1.164 91 A CA -0.552 51.602 52.037 0.194 0.000 0.712 91 A CB 1.999 21.171 19.000 0.286 0.000 1.303 91 A HN 1.422 nan 8.150 nan 0.000 0.418 92 I N -2.713 118.015 120.570 0.264 0.000 3.145 92 I HA 0.977 5.147 4.170 -0.000 0.000 0.313 92 I C -1.285 175.044 176.117 0.353 0.000 1.122 92 I CA -1.225 60.154 61.300 0.131 0.000 0.987 92 I CB 2.464 40.462 38.000 -0.004 0.000 1.236 92 I HN 1.138 nan 8.210 nan 0.000 0.453 93 Y N 0.763 121.089 120.300 0.045 0.000 2.457 93 Y HA 0.568 5.118 4.550 -0.000 0.000 0.322 93 Y C -0.374 175.470 175.900 -0.094 0.000 1.218 93 Y CA -0.545 57.623 58.100 0.113 0.000 1.116 93 Y CB -0.137 38.432 38.460 0.181 0.000 1.335 93 Y HN 0.902 nan 8.280 nan 0.000 0.452 94 S N 0.822 116.530 115.700 0.014 0.000 2.562 94 S HA 0.193 4.663 4.470 -0.000 0.000 0.256 94 S C 0.228 174.948 174.600 0.199 0.000 1.248 94 S CA 0.711 58.907 58.200 -0.007 0.000 0.988 94 S CB 0.446 63.729 63.200 0.138 0.000 1.035 94 S HN 0.757 nan 8.310 nan 0.000 0.548 95 D N 1.346 121.824 120.400 0.130 0.000 2.107 95 D HA 0.128 4.768 4.640 -0.000 0.000 0.204 95 D C 1.422 177.791 176.300 0.116 0.000 0.978 95 D CA 1.596 55.670 54.000 0.125 0.000 0.852 95 D CB -0.980 39.846 40.800 0.042 0.000 1.008 95 D HN 0.706 nan 8.370 nan 0.000 0.458 96 A N 0.386 123.244 122.820 0.062 0.000 2.711 96 A HA 0.079 4.399 4.320 -0.000 0.000 0.242 96 A C 0.046 177.709 177.584 0.132 0.000 1.607 96 A CA 0.582 52.647 52.037 0.046 0.000 1.370 96 A CB -0.686 18.268 19.000 -0.078 0.000 0.934 96 A HN 0.112 nan 8.150 nan 0.000 0.628 97 D N -2.007 118.477 120.400 0.139 0.000 2.742 97 D HA 0.064 4.704 4.640 -0.000 0.000 0.302 97 D C 1.223 177.530 176.300 0.011 0.000 1.588 97 D CA -0.003 54.071 54.000 0.123 0.000 0.873 97 D CB 0.177 41.150 40.800 0.287 0.000 1.418 97 D HN 0.244 nan 8.370 nan 0.000 0.420 98 K N 0.611 120.984 120.400 -0.044 0.000 2.217 98 K HA -0.117 4.203 4.320 -0.000 0.000 0.202 98 K C 1.829 178.257 176.600 -0.287 0.000 1.051 98 K CA 1.623 57.732 56.287 -0.297 0.000 0.952 98 K CB 0.203 32.628 32.500 -0.125 0.000 0.736 98 K HN 0.317 nan 8.250 nan 0.000 0.453 99 Q N 0.219 119.937 119.800 -0.137 0.000 2.033 99 Q HA 0.169 4.509 4.340 -0.000 0.000 0.196 99 Q C 0.606 176.504 176.000 -0.170 0.000 0.970 99 Q CA 0.588 56.357 55.803 -0.056 0.000 0.828 99 Q CB -0.688 28.090 28.738 0.068 0.000 0.895 99 Q HN 0.161 nan 8.270 nan 0.000 0.440 100 A N 1.494 124.157 122.820 -0.262 0.000 2.534 100 A HA -0.174 4.146 4.320 -0.000 0.000 0.264 100 A C 0.857 178.193 177.584 -0.413 0.000 0.960 100 A CA 0.390 52.213 52.037 -0.357 0.000 1.000 100 A CB -0.054 18.813 19.000 -0.222 0.000 0.798 100 A HN 0.552 nan 8.150 nan 0.000 0.413 101 L N 3.242 124.235 121.223 -0.384 0.000 2.187 101 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 101 L C 2.498 179.290 176.870 -0.130 0.000 1.100 101 L CA 2.880 57.587 54.840 -0.221 0.000 0.765 101 L CB -0.768 41.179 42.059 -0.187 0.000 0.904 101 L HN 0.969 nan 8.230 nan 0.000 0.437 102 H N -2.461 116.540 119.070 -0.115 0.000 2.395 102 H HA -0.038 4.518 4.556 -0.000 0.000 0.299 102 H C 2.028 177.335 175.328 -0.036 0.000 1.070 102 H CA 1.543 57.550 56.048 -0.069 0.000 1.356 102 H CB -1.109 28.608 29.762 -0.075 0.000 1.401 102 H HN 0.239 nan 8.280 nan 0.000 0.524 103 V N 2.624 122.048 119.914 -0.816 0.000 2.220 103 V HA -0.376 3.744 4.120 -0.000 0.000 0.250 103 V C 3.022 178.995 176.094 -0.202 0.000 1.056 103 V CA 2.895 64.904 62.300 -0.484 0.000 1.016 103 V CB -0.999 30.462 31.823 -0.602 0.000 0.639 103 V HN 0.607 nan 8.190 nan 0.000 0.446 104 Q N -0.611 119.079 119.800 -0.183 0.000 2.291 104 Q HA -0.169 4.171 4.340 -0.000 0.000 0.206 104 Q C 1.998 177.978 176.000 -0.033 0.000 0.976 104 Q CA 1.769 57.523 55.803 -0.082 0.000 0.875 104 Q CB -0.378 28.332 28.738 -0.045 0.000 0.927 104 Q HN 0.589 nan 8.270 nan 0.000 0.450 105 M N 0.714 120.299 119.600 -0.025 0.000 2.349 105 M HA 0.116 4.596 4.480 -0.000 0.000 0.266 105 M C 0.980 177.292 176.300 0.020 0.000 1.076 105 M CA 0.539 55.843 55.300 0.007 0.000 1.126 105 M CB 0.093 32.705 32.600 0.020 0.000 1.392 105 M HN 0.268 nan 8.290 nan 0.000 0.440 106 A N 0.555 123.392 122.820 0.027 0.000 2.304 106 A HA 0.139 4.459 4.320 -0.000 0.000 0.271 106 A C 0.188 177.793 177.584 0.035 0.000 1.091 106 A CA -0.483 51.580 52.037 0.044 0.000 0.812 106 A CB 0.282 19.327 19.000 0.074 0.000 1.056 106 A HN 0.226 nan 8.150 nan 0.000 0.489 107 D N 0.274 120.698 120.400 0.040 0.000 2.349 107 D HA 0.143 4.782 4.640 -0.000 0.000 0.224 107 D C 0.159 176.484 176.300 0.042 0.000 1.029 107 D CA 1.022 55.044 54.000 0.036 0.000 0.879 107 D CB 0.251 41.072 40.800 0.035 0.000 0.906 107 D HN 0.691 nan 8.370 nan 0.000 0.528 108 E N -1.117 119.116 120.200 0.056 0.000 2.439 108 E HA 0.734 5.084 4.350 -0.000 0.000 0.279 108 E C -1.446 175.215 176.600 0.103 0.000 1.077 108 E CA -1.062 55.380 56.400 0.070 0.000 0.849 108 E CB 2.242 31.982 29.700 0.065 0.000 1.408 108 E HN -0.066 nan 8.360 nan 0.000 0.457 109 A N 0.406 123.311 122.820 0.140 0.000 2.583 109 A HA 0.586 4.906 4.320 -0.000 0.000 0.298 109 A C -1.633 176.106 177.584 0.259 0.000 1.055 109 A CA -0.642 51.541 52.037 0.243 0.000 0.714 109 A CB 1.163 20.340 19.000 0.295 0.000 1.277 109 A HN 0.609 nan 8.150 nan 0.000 0.406 110 V N 0.884 120.874 119.914 0.127 0.000 2.709 110 V HA 0.796 4.916 4.120 -0.000 0.000 0.308 110 V C 0.222 175.951 176.094 -0.608 0.000 1.062 110 V CA -0.730 61.514 62.300 -0.094 0.000 0.901 110 V CB 1.327 33.071 31.823 -0.131 0.000 1.003 110 V HN 1.422 nan 8.190 nan 0.000 0.425 111 H N 4.670 123.335 119.070 -0.675 0.000 2.830 111 H HA 0.403 4.959 4.556 -0.000 0.000 0.382 111 H C 0.331 175.334 175.328 -0.542 0.000 1.423 111 H CA 0.243 55.749 56.048 -0.904 0.000 1.464 111 H CB 1.264 30.791 29.762 -0.392 0.000 1.495 111 H HN 1.044 nan 8.280 nan 0.000 0.617 112 I N -4.448 115.774 120.570 -0.580 0.000 3.439 112 I HA 0.493 4.663 4.170 -0.000 0.000 0.321 112 I C 0.361 176.322 176.117 -0.260 0.000 1.435 112 I CA -0.038 60.969 61.300 -0.487 0.000 0.914 112 I CB 0.317 38.014 38.000 -0.505 0.000 1.807 112 I HN 0.999 nan 8.210 nan 0.000 0.681 113 G N 2.325 111.076 108.800 -0.082 0.000 2.500 113 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.209 113 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.209 113 G C -3.092 171.791 174.900 -0.029 0.000 1.283 113 G CA -0.326 44.758 45.100 -0.028 0.000 0.960 113 G HN 0.219 nan 8.290 nan 0.000 0.528 114 P HA 0.214 nan 4.420 nan 0.000 0.275 114 P C -1.776 175.539 177.300 0.025 0.000 1.270 114 P CA 0.044 63.148 63.100 0.007 0.000 0.791 114 P CB 0.711 32.425 31.700 0.024 0.000 1.089 115 P HA 0.032 nan 4.420 nan 0.000 0.216 115 P C -1.731 175.708 177.300 0.232 0.000 1.153 115 P CA 1.752 64.859 63.100 0.012 0.000 0.848 115 P CB -1.910 29.419 31.700 -0.620 0.000 0.787 116 P HA 0.063 nan 4.420 nan 0.000 0.268 116 P C 0.791 178.141 177.300 0.084 0.000 1.204 116 P CA 0.561 63.768 63.100 0.179 0.000 0.768 116 P CB 0.205 31.977 31.700 0.120 0.000 0.842 117 A N 4.142 126.993 122.820 0.050 0.000 2.066 117 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 117 A C 1.446 178.983 177.584 -0.078 0.000 1.157 117 A CA 0.878 52.934 52.037 0.033 0.000 0.670 117 A CB -0.982 17.973 19.000 -0.076 0.000 0.804 117 A HN 0.676 nan 8.150 nan 0.000 0.453 118 N N -0.354 118.312 118.700 -0.057 0.000 2.551 118 N HA -0.070 4.670 4.740 -0.000 0.000 0.199 118 N C 0.334 175.819 175.510 -0.043 0.000 1.277 118 N CA 0.674 53.691 53.050 -0.056 0.000 0.870 118 N CB -0.088 38.376 38.487 -0.038 0.000 1.028 118 N HN 0.691 nan 8.380 nan 0.000 0.452 119 Q N -1.140 118.632 119.800 -0.046 0.000 1.859 119 Q HA 0.095 4.435 4.340 -0.000 0.000 0.180 119 Q C 0.196 176.147 176.000 -0.081 0.000 0.765 119 Q CA 0.152 55.929 55.803 -0.043 0.000 0.888 119 Q CB 0.810 29.542 28.738 -0.011 0.000 1.230 119 Q HN 0.469 nan 8.270 nan 0.000 0.402 120 S N -2.092 113.531 115.700 -0.128 0.000 3.352 120 S HA 0.075 4.545 4.470 -0.000 0.000 0.242 120 S C 0.909 175.286 174.600 -0.372 0.000 1.075 120 S CA -0.160 57.885 58.200 -0.259 0.000 1.026 120 S CB -0.294 62.722 63.200 -0.308 0.000 1.009 120 S HN 0.164 nan 8.310 nan 0.000 0.429 121 Y N 1.756 121.939 120.300 -0.194 0.000 2.509 121 Y HA 0.539 5.089 4.550 0.000 0.000 0.270 121 Y C 1.984 177.606 175.900 -0.464 0.000 1.103 121 Y CA 0.076 57.973 58.100 -0.340 0.000 1.278 121 Y CB -0.013 38.143 38.460 -0.507 0.000 1.087 121 Y HN 0.273 nan 8.280 nan 0.000 0.542 122 I N -1.468 118.943 120.570 -0.265 0.000 2.731 122 I HA -0.040 4.130 4.170 -0.000 0.000 0.260 122 I C 0.249 176.286 176.117 -0.133 0.000 1.138 122 I CA 0.109 61.266 61.300 -0.238 0.000 1.461 122 I CB -0.039 37.844 38.000 -0.194 0.000 1.128 122 I HN -0.305 nan 8.210 nan 0.000 0.438 123 V N 4.253 124.104 119.914 -0.105 0.000 2.536 123 V HA -0.145 3.975 4.120 -0.000 0.000 0.287 123 V C 1.533 177.612 176.094 -0.024 0.000 0.979 123 V CA 0.780 63.046 62.300 -0.058 0.000 1.161 123 V CB -0.365 31.418 31.823 -0.067 0.000 0.915 123 V HN 0.281 nan 8.190 nan 0.000 0.467 124 I N 2.441 123.033 120.570 0.036 0.000 2.493 124 I HA -0.111 4.059 4.170 -0.000 0.000 0.254 124 I C 1.865 178.042 176.117 0.101 0.000 1.160 124 I CA 0.880 62.262 61.300 0.138 0.000 1.445 124 I CB -0.286 37.836 38.000 0.203 0.000 1.086 124 I HN 0.637 nan 8.210 nan 0.000 0.433 125 D N 1.610 122.035 120.400 0.042 0.000 2.077 125 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 125 D C 2.050 178.350 176.300 0.000 0.000 0.986 125 D CA 1.005 55.017 54.000 0.020 0.000 0.829 125 D CB -0.286 40.516 40.800 0.004 0.000 0.983 125 D HN 0.187 nan 8.370 nan 0.000 0.453 126 K N 0.992 121.374 120.400 -0.030 0.000 2.001 126 K HA -0.152 4.168 4.320 -0.000 0.000 0.223 126 K C 2.446 179.002 176.600 -0.073 0.000 1.055 126 K CA 0.741 56.980 56.287 -0.080 0.000 0.965 126 K CB -1.028 31.399 32.500 -0.122 0.000 0.730 126 K HN 0.072 nan 8.250 nan 0.000 0.449 127 V N 1.634 121.528 119.914 -0.034 0.000 2.218 127 V HA -0.349 3.771 4.120 -0.000 0.000 0.251 127 V C 2.535 178.665 176.094 0.060 0.000 1.057 127 V CA 2.418 64.733 62.300 0.026 0.000 1.022 127 V CB -0.576 31.327 31.823 0.133 0.000 0.645 127 V HN 0.274 nan 8.190 nan 0.000 0.451 128 M N 0.442 120.102 119.600 0.100 0.000 2.226 128 M HA -0.261 4.219 4.480 -0.000 0.000 0.257 128 M C 2.216 178.526 176.300 0.016 0.000 1.070 128 M CA 2.451 57.787 55.300 0.059 0.000 1.087 128 M CB -1.322 31.304 32.600 0.044 0.000 1.278 128 M HN 0.386 nan 8.290 nan 0.000 0.426 129 A N -0.854 121.964 122.820 -0.002 0.000 1.954 129 A HA -0.222 4.098 4.320 -0.000 0.000 0.222 129 A C 2.307 179.877 177.584 -0.024 0.000 1.199 129 A CA 2.962 54.988 52.037 -0.017 0.000 0.657 129 A CB -1.450 17.532 19.000 -0.031 0.000 0.823 129 A HN 0.674 nan 8.150 nan 0.000 0.463 130 A N -0.575 122.221 122.820 -0.040 0.000 1.930 130 A HA 0.111 4.431 4.320 -0.000 0.000 0.215 130 A C 2.054 179.634 177.584 -0.006 0.000 1.176 130 A CA 1.107 53.116 52.037 -0.046 0.000 0.632 130 A CB -0.511 18.433 19.000 -0.093 0.000 0.819 130 A HN 0.511 nan 8.150 nan 0.000 0.445 131 I N -0.831 119.748 120.570 0.015 0.000 2.264 131 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 131 I C 2.734 178.860 176.117 0.015 0.000 1.111 131 I CA 1.462 62.780 61.300 0.030 0.000 1.382 131 I CB -0.315 37.712 38.000 0.046 0.000 1.060 131 I HN 0.272 nan 8.210 nan 0.000 0.418 132 R N 0.506 121.010 120.500 0.006 0.000 2.090 132 R HA 0.127 4.467 4.340 -0.000 0.000 0.219 132 R C 2.521 178.824 176.300 0.006 0.000 1.100 132 R CA 0.938 57.040 56.100 0.003 0.000 0.991 132 R CB -0.345 29.954 30.300 -0.002 0.000 0.893 132 R HN 0.272 nan 8.270 nan 0.000 0.443 133 A N 0.819 123.641 122.820 0.003 0.000 2.042 133 A HA -0.204 4.116 4.320 -0.000 0.000 0.222 133 A C 1.929 179.521 177.584 0.013 0.000 1.167 133 A CA 2.266 54.307 52.037 0.006 0.000 0.649 133 A CB -0.634 18.364 19.000 -0.003 0.000 0.809 133 A HN 0.507 nan 8.150 nan 0.000 0.457 134 T N -4.807 109.756 114.554 0.015 0.000 3.040 134 T HA 0.459 4.809 4.350 -0.000 0.000 0.266 134 T C 0.844 175.558 174.700 0.022 0.000 1.005 134 T CA 0.821 62.934 62.100 0.023 0.000 0.906 134 T CB -0.020 68.866 68.868 0.030 0.000 1.082 134 T HN 1.913 nan 8.240 nan 0.000 0.531 135 G N 1.640 110.450 108.800 0.017 0.000 3.273 135 G HA2 0.255 4.215 3.960 -0.000 0.000 0.325 135 G HA3 0.255 4.215 3.960 -0.000 0.000 0.325 135 G C 0.238 175.147 174.900 0.015 0.000 0.960 135 G CA -0.413 44.696 45.100 0.014 0.000 0.808 135 G HN 0.948 nan 8.290 nan 0.000 0.387 136 A N 1.888 124.713 122.820 0.009 0.000 2.262 136 A HA 0.804 5.124 4.320 -0.000 0.000 0.275 136 A C 1.381 178.966 177.584 0.001 0.000 1.402 136 A CA 1.902 53.944 52.037 0.008 0.000 0.817 136 A CB 0.428 19.427 19.000 -0.002 0.000 1.271 136 A HN 2.527 nan 8.150 nan 0.000 0.520 137 Q N -4.538 115.256 119.800 -0.010 0.000 2.959 137 Q HA 0.243 4.583 4.340 -0.000 0.000 0.169 137 Q C -0.499 175.473 176.000 -0.047 0.000 0.839 137 Q CA 1.583 57.368 55.803 -0.030 0.000 0.578 137 Q CB -0.856 27.875 28.738 -0.012 0.000 0.943 137 Q HN 2.465 nan 8.270 nan 0.000 0.430 138 A N 0.159 122.967 122.820 -0.020 0.000 1.476 138 A HA 0.498 4.818 4.320 -0.000 0.000 0.244 138 A C -1.300 176.291 177.584 0.011 0.000 1.127 138 A CA 0.093 52.118 52.037 -0.020 0.000 0.900 138 A CB -0.027 18.951 19.000 -0.036 0.000 0.969 138 A HN 0.764 nan 8.150 nan 0.000 0.390 139 V N 3.743 123.666 119.914 0.015 0.000 2.732 139 V HA 0.673 4.793 4.120 -0.000 0.000 0.297 139 V C -0.086 176.009 176.094 0.001 0.000 1.060 139 V CA -0.140 62.193 62.300 0.054 0.000 1.038 139 V CB 1.353 33.250 31.823 0.124 0.000 1.003 139 V HN 0.962 nan 8.190 nan 0.000 0.481 140 H N 7.340 126.366 119.070 -0.073 0.000 2.538 140 H HA 0.587 5.143 4.556 -0.000 0.000 0.353 140 H C -2.431 172.787 175.328 -0.184 0.000 1.109 140 H CA -2.142 53.808 56.048 -0.163 0.000 1.192 140 H CB 2.738 32.435 29.762 -0.108 0.000 1.555 140 H HN 0.466 nan 8.280 nan 0.000 0.518 141 P HA 0.141 nan 4.420 nan 0.000 0.267 141 P C 0.872 178.207 177.300 0.059 0.000 1.289 141 P CA 1.109 64.223 63.100 0.022 0.000 0.866 141 P CB 1.168 32.758 31.700 -0.185 0.000 1.309 142 G N 1.110 110.028 108.800 0.198 0.000 3.181 142 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.322 142 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.322 142 G C -0.120 174.776 174.900 -0.007 0.000 1.246 142 G CA 1.089 46.042 45.100 -0.244 0.000 0.989 142 G HN 0.552 nan 8.290 nan 0.000 0.607 143 Y N -4.254 116.011 120.300 -0.057 0.000 2.852 143 Y HA 0.491 5.041 4.550 0.000 0.000 0.350 143 Y C 1.202 177.033 175.900 -0.115 0.000 1.272 143 Y CA -0.046 58.033 58.100 -0.034 0.000 1.086 143 Y CB 0.425 38.870 38.460 -0.025 0.000 1.408 143 Y HN 2.250 nan 8.280 nan 0.000 0.447 144 G N -0.262 108.716 108.800 0.296 0.000 2.219 144 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.271 144 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.271 144 G C 0.033 175.045 174.900 0.187 0.000 0.991 144 G CA 1.646 46.844 45.100 0.164 0.000 0.685 144 G HN 0.758 nan 8.290 nan 0.000 0.531 145 F N -2.242 117.741 119.950 0.055 0.000 2.056 145 F HA 0.427 4.954 4.527 0.000 0.000 0.210 145 F C 1.491 177.284 175.800 -0.012 0.000 1.238 145 F CA -0.589 57.407 58.000 -0.006 0.000 1.288 145 F CB 0.087 39.040 39.000 -0.078 0.000 1.811 145 F HN -0.066 nan 8.300 nan 0.000 0.251 146 L N 0.892 122.199 121.223 0.140 0.000 2.741 146 L HA 0.129 4.469 4.340 -0.000 0.000 0.237 146 L C 1.819 178.803 176.870 0.190 0.000 1.178 146 L CA 0.277 55.122 54.840 0.008 0.000 0.973 146 L CB -0.383 41.398 42.059 -0.462 0.000 1.255 146 L HN 0.185 nan 8.230 nan 0.000 0.498 147 S N -1.022 114.804 115.700 0.211 0.000 2.442 147 S HA -0.084 4.386 4.470 -0.000 0.000 0.236 147 S C 0.811 175.677 174.600 0.444 0.000 1.007 147 S CA 0.850 59.229 58.200 0.299 0.000 0.965 147 S CB -0.214 63.123 63.200 0.229 0.000 0.773 147 S HN 0.560 nan 8.310 nan 0.000 0.504 148 E N 1.137 121.518 120.200 0.301 0.000 4.090 148 E HA 0.273 4.623 4.350 -0.000 0.000 0.235 148 E C -1.180 175.515 176.600 0.159 0.000 1.187 148 E CA -0.229 56.297 56.400 0.210 0.000 1.308 148 E CB 0.390 30.186 29.700 0.160 0.000 1.222 148 E HN 0.277 nan 8.360 nan 0.000 0.414 149 N N 1.006 119.819 118.700 0.189 0.000 2.648 149 N HA 0.094 4.834 4.740 -0.000 0.000 0.261 149 N C 0.370 175.969 175.510 0.148 0.000 1.138 149 N CA -0.017 53.122 53.050 0.147 0.000 0.804 149 N CB 1.260 39.834 38.487 0.145 0.000 1.237 149 N HN -0.047 nan 8.380 nan 0.000 0.532 150 S N 2.532 118.268 115.700 0.059 0.000 2.406 150 S HA -0.254 4.216 4.470 -0.000 0.000 0.242 150 S C 1.645 176.267 174.600 0.036 0.000 1.079 150 S CA 1.486 59.689 58.200 0.005 0.000 1.133 150 S CB -0.034 63.156 63.200 -0.017 0.000 1.005 150 S HN 0.631 nan 8.310 nan 0.000 0.443 151 K N -0.197 120.245 120.400 0.069 0.000 2.052 151 K HA -0.225 4.095 4.320 -0.000 0.000 0.215 151 K C 1.878 178.547 176.600 0.115 0.000 1.053 151 K CA 2.088 58.420 56.287 0.076 0.000 0.934 151 K CB -0.465 32.087 32.500 0.087 0.000 0.717 151 K HN 0.460 nan 8.250 nan 0.000 0.450 152 F N 1.087 121.061 119.950 0.040 0.000 2.186 152 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 152 F C 2.161 178.015 175.800 0.090 0.000 1.090 152 F CA 1.187 59.235 58.000 0.080 0.000 1.307 152 F CB -0.132 38.948 39.000 0.133 0.000 1.019 152 F HN 0.000 nan 8.300 nan 0.000 0.489 153 A N -0.263 122.588 122.820 0.052 0.000 1.978 153 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 153 A C 2.014 179.467 177.584 -0.217 0.000 1.170 153 A CA 2.000 53.915 52.037 -0.202 0.000 0.636 153 A CB -0.716 18.074 19.000 -0.349 0.000 0.810 153 A HN 0.481 nan 8.150 nan 0.000 0.448 154 E N -0.281 119.833 120.200 -0.144 0.000 2.102 154 E HA 0.173 4.523 4.350 -0.000 0.000 0.190 154 E C 2.045 178.570 176.600 -0.124 0.000 0.971 154 E CA 1.135 57.463 56.400 -0.121 0.000 0.821 154 E CB -0.487 29.166 29.700 -0.078 0.000 0.777 154 E HN 0.398 nan 8.360 nan 0.000 0.460 155 A N 0.716 123.460 122.820 -0.127 0.000 2.032 155 A HA -0.175 4.145 4.320 -0.000 0.000 0.221 155 A C 2.198 179.676 177.584 -0.176 0.000 1.165 155 A CA 1.382 53.345 52.037 -0.125 0.000 0.645 155 A CB -0.701 18.240 19.000 -0.097 0.000 0.807 155 A HN 0.338 nan 8.150 nan 0.000 0.453 156 L N -1.353 119.711 121.223 -0.265 0.000 2.072 156 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 156 L C 2.631 179.419 176.870 -0.137 0.000 1.079 156 L CA 1.660 56.354 54.840 -0.243 0.000 0.752 156 L CB -0.442 41.441 42.059 -0.293 0.000 0.906 156 L HN 0.585 nan 8.230 nan 0.000 0.436 157 E N 0.751 120.877 120.200 -0.125 0.000 2.204 157 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 157 E C 1.847 178.402 176.600 -0.075 0.000 0.989 157 E CA 0.849 57.195 56.400 -0.091 0.000 0.824 157 E CB 0.056 29.700 29.700 -0.093 0.000 0.756 157 E HN 0.425 nan 8.360 nan 0.000 0.477 158 A N 0.488 123.261 122.820 -0.079 0.000 2.258 158 A HA -0.068 4.252 4.320 -0.000 0.000 0.206 158 A C 1.029 178.580 177.584 -0.055 0.000 1.222 158 A CA 0.697 52.697 52.037 -0.060 0.000 0.822 158 A CB -0.073 18.893 19.000 -0.058 0.000 0.804 158 A HN 0.250 nan 8.150 nan 0.000 0.483 159 E N -3.123 117.041 120.200 -0.060 0.000 2.614 159 E HA 0.179 4.529 4.350 -0.000 0.000 0.201 159 E C 1.125 177.698 176.600 -0.046 0.000 0.889 159 E CA 0.788 57.158 56.400 -0.051 0.000 1.564 159 E CB 0.002 29.667 29.700 -0.057 0.000 1.623 159 E HN 0.889 nan 8.360 nan 0.000 0.898 160 G N 1.636 110.404 108.800 -0.053 0.000 2.184 160 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.206 160 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.206 160 G C 0.361 175.232 174.900 -0.050 0.000 0.995 160 G CA 0.194 45.265 45.100 -0.048 0.000 0.651 160 G HN 0.091 nan 8.290 nan 0.000 0.511 161 V N 2.854 122.735 119.914 -0.055 0.000 2.390 161 V HA 0.235 4.355 4.120 -0.000 0.000 0.260 161 V C 1.437 177.511 176.094 -0.033 0.000 1.043 161 V CA -0.108 62.163 62.300 -0.048 0.000 1.047 161 V CB 0.281 32.068 31.823 -0.060 0.000 1.066 161 V HN 0.350 nan 8.190 nan 0.000 0.481 162 I N 6.074 126.626 120.570 -0.030 0.000 2.886 162 I HA -0.056 4.114 4.170 -0.000 0.000 0.293 162 I C 0.683 176.832 176.117 0.053 0.000 1.157 162 I CA 0.156 61.452 61.300 -0.007 0.000 1.472 162 I CB -0.454 37.520 38.000 -0.044 0.000 1.492 162 I HN 0.570 nan 8.210 nan 0.000 0.652 163 F N 8.195 128.086 119.950 -0.098 0.000 2.526 163 F HA 0.041 4.568 4.527 -0.000 0.000 0.327 163 F C 0.634 176.379 175.800 -0.092 0.000 1.271 163 F CA -0.129 57.828 58.000 -0.071 0.000 0.992 163 F CB 0.019 38.974 39.000 -0.075 0.000 1.284 163 F HN 0.198 nan 8.300 nan 0.000 0.635 164 V N 8.079 127.966 119.914 -0.046 0.000 2.441 164 V HA 0.443 4.563 4.120 -0.000 0.000 0.279 164 V C 0.492 176.520 176.094 -0.109 0.000 0.990 164 V CA 1.326 63.571 62.300 -0.092 0.000 1.116 164 V CB -0.538 31.172 31.823 -0.188 0.000 0.977 164 V HN 1.106 nan 8.190 nan 0.000 0.470 165 G N 7.219 116.086 108.800 0.111 0.000 2.553 165 G HA2 0.218 4.178 3.960 -0.000 0.000 0.106 165 G HA3 0.218 4.178 3.960 -0.000 0.000 0.106 165 G C -3.489 171.453 174.900 0.070 0.000 1.126 165 G CA -0.041 45.159 45.100 0.166 0.000 1.075 165 G HN 0.590 nan 8.290 nan 0.000 0.472 166 P HA 0.456 nan 4.420 nan 0.000 0.292 166 P C -2.729 174.353 177.300 -0.363 0.000 1.300 166 P CA -1.835 61.004 63.100 -0.434 0.000 0.900 166 P CB 1.617 32.851 31.700 -0.777 0.000 1.139 167 P HA 0.018 nan 4.420 nan 0.000 0.271 167 P C 0.792 177.922 177.300 -0.283 0.000 1.226 167 P CA -0.178 62.754 63.100 -0.282 0.000 0.765 167 P CB 0.750 32.331 31.700 -0.199 0.000 0.835 168 K N 2.759 122.973 120.400 -0.309 0.000 2.448 168 K HA -0.179 4.141 4.320 -0.000 0.000 0.200 168 K C 1.439 177.947 176.600 -0.153 0.000 1.045 168 K CA 2.031 58.170 56.287 -0.247 0.000 0.933 168 K CB -1.519 30.849 32.500 -0.219 0.000 0.755 168 K HN 0.522 nan 8.250 nan 0.000 0.481 169 G N 1.323 110.040 108.800 -0.137 0.000 2.499 169 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.213 169 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.213 169 G C 1.797 176.653 174.900 -0.073 0.000 1.230 169 G CA 1.137 46.184 45.100 -0.088 0.000 0.813 169 G HN 0.441 nan 8.290 nan 0.000 0.542 170 A N 0.600 123.365 122.820 -0.092 0.000 1.997 170 A HA -0.072 4.248 4.320 -0.000 0.000 0.221 170 A C 2.388 179.947 177.584 -0.042 0.000 1.172 170 A CA 1.492 53.493 52.037 -0.061 0.000 0.645 170 A CB -0.431 18.499 19.000 -0.117 0.000 0.813 170 A HN 0.424 nan 8.150 nan 0.000 0.454 171 I N -0.751 119.765 120.570 -0.090 0.000 2.142 171 I HA -0.261 3.909 4.170 -0.000 0.000 0.240 171 I C 2.382 178.499 176.117 0.001 0.000 1.078 171 I CA 1.826 63.099 61.300 -0.045 0.000 1.343 171 I CB -0.451 37.498 38.000 -0.085 0.000 1.046 171 I HN 0.401 nan 8.210 nan 0.000 0.405 172 E N 0.871 121.062 120.200 -0.014 0.000 2.347 172 E HA -0.100 4.250 4.350 -0.000 0.000 0.196 172 E C 2.177 178.790 176.600 0.021 0.000 1.008 172 E CA 0.833 57.236 56.400 0.005 0.000 0.852 172 E CB -0.089 29.606 29.700 -0.008 0.000 0.783 172 E HN 0.493 nan 8.360 nan 0.000 0.505 173 A N 1.664 124.497 122.820 0.021 0.000 1.828 173 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 173 A C 1.875 179.500 177.584 0.069 0.000 1.203 173 A CA 1.239 53.300 52.037 0.040 0.000 0.614 173 A CB -0.207 18.817 19.000 0.041 0.000 0.844 173 A HN 0.122 nan 8.150 nan 0.000 0.445 174 M N 0.546 120.202 119.600 0.095 0.000 2.639 174 M HA 0.114 4.594 4.480 -0.000 0.000 0.220 174 M C 1.682 178.043 176.300 0.103 0.000 1.155 174 M CA 0.450 55.827 55.300 0.129 0.000 1.003 174 M CB -1.574 31.132 32.600 0.177 0.000 1.725 174 M HN 0.469 nan 8.290 nan 0.000 0.489 175 G N 0.341 109.186 108.800 0.075 0.000 2.492 175 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.214 175 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.214 175 G C 0.113 175.047 174.900 0.056 0.000 1.147 175 G CA 0.031 45.169 45.100 0.062 0.000 0.809 175 G HN 0.465 nan 8.290 nan 0.000 0.533 176 D N -0.770 119.662 120.400 0.055 0.000 2.233 176 D HA 0.335 4.975 4.640 -0.000 0.000 0.240 176 D C 1.379 177.715 176.300 0.061 0.000 1.074 176 D CA -0.551 53.477 54.000 0.048 0.000 0.838 176 D CB 1.384 42.206 40.800 0.037 0.000 1.124 176 D HN -0.024 nan 8.370 nan 0.000 0.475 177 K N 2.560 122.993 120.400 0.056 0.000 2.000 177 K HA -0.195 4.125 4.320 -0.000 0.000 0.218 177 K C 1.729 178.373 176.600 0.072 0.000 1.053 177 K CA 1.600 57.927 56.287 0.067 0.000 0.946 177 K CB -0.312 32.216 32.500 0.047 0.000 0.723 177 K HN 0.476 nan 8.250 nan 0.000 0.446 178 I N 1.507 122.106 120.570 0.048 0.000 2.087 178 I HA -0.355 3.815 4.170 -0.000 0.000 0.240 178 I C 2.457 178.601 176.117 0.045 0.000 1.054 178 I CA 1.891 63.214 61.300 0.039 0.000 1.311 178 I CB -1.248 36.767 38.000 0.024 0.000 1.024 178 I HN 0.218 nan 8.210 nan 0.000 0.402 179 T N 0.203 114.783 114.554 0.044 0.000 2.635 179 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 179 T C 2.095 176.828 174.700 0.055 0.000 1.040 179 T CA 2.087 64.212 62.100 0.042 0.000 1.156 179 T CB -0.636 68.256 68.868 0.040 0.000 0.863 179 T HN 0.340 nan 8.240 nan 0.000 0.430 180 S N 1.411 117.164 115.700 0.088 0.000 2.365 180 S HA -0.161 4.309 4.470 -0.000 0.000 0.225 180 S C 2.140 176.805 174.600 0.108 0.000 1.039 180 S CA 1.022 59.301 58.200 0.133 0.000 1.033 180 S CB -0.282 63.050 63.200 0.220 0.000 0.887 180 S HN 0.394 nan 8.310 nan 0.000 0.447 181 K N 1.505 121.974 120.400 0.115 0.000 2.034 181 K HA -0.138 4.182 4.320 -0.000 0.000 0.214 181 K C 2.099 178.706 176.600 0.011 0.000 1.051 181 K CA 1.462 57.800 56.287 0.084 0.000 0.931 181 K CB -0.573 31.970 32.500 0.072 0.000 0.715 181 K HN 0.353 nan 8.250 nan 0.000 0.446 182 K N 0.709 121.116 120.400 0.013 0.000 1.984 182 K HA -0.017 4.303 4.320 -0.000 0.000 0.209 182 K C 2.207 178.790 176.600 -0.028 0.000 1.046 182 K CA 1.105 57.388 56.287 -0.006 0.000 0.934 182 K CB -0.191 32.312 32.500 0.004 0.000 0.717 182 K HN 0.048 nan 8.250 nan 0.000 0.438 183 I N 0.789 121.349 120.570 -0.017 0.000 2.730 183 I HA -0.288 3.882 4.170 -0.000 0.000 0.266 183 I C 2.039 178.107 176.117 -0.081 0.000 1.228 183 I CA 1.019 62.303 61.300 -0.027 0.000 1.445 183 I CB -0.285 37.719 38.000 0.007 0.000 1.102 183 I HN 0.235 nan 8.210 nan 0.000 0.464 184 A N -0.220 122.508 122.820 -0.154 0.000 2.035 184 A HA -0.009 4.311 4.320 -0.000 0.000 0.208 184 A C 2.161 179.637 177.584 -0.180 0.000 1.206 184 A CA 0.053 51.923 52.037 -0.278 0.000 0.773 184 A CB -0.080 18.533 19.000 -0.645 0.000 0.878 184 A HN 0.325 nan 8.150 nan 0.000 0.469 185 Q N 0.588 120.317 119.800 -0.118 0.000 1.857 185 Q HA -0.258 4.082 4.340 -0.000 0.000 0.237 185 Q C 1.968 177.934 176.000 -0.057 0.000 1.004 185 Q CA 1.730 57.489 55.803 -0.073 0.000 0.881 185 Q CB -0.460 28.254 28.738 -0.040 0.000 0.946 185 Q HN 0.787 nan 8.270 nan 0.000 0.421 186 E N 1.096 121.272 120.200 -0.040 0.000 2.219 186 E HA -0.178 4.172 4.350 -0.000 0.000 0.198 186 E C 1.560 178.141 176.600 -0.031 0.000 0.998 186 E CA 1.503 57.886 56.400 -0.028 0.000 0.818 186 E CB -0.389 29.300 29.700 -0.018 0.000 0.741 186 E HN 0.364 nan 8.360 nan 0.000 0.477 187 A N 2.015 124.808 122.820 -0.045 0.000 2.248 187 A HA -0.133 4.187 4.320 -0.000 0.000 0.210 187 A C 0.730 178.289 177.584 -0.042 0.000 1.174 187 A CA 0.895 52.907 52.037 -0.041 0.000 0.750 187 A CB -1.221 17.744 19.000 -0.060 0.000 0.780 187 A HN 0.579 nan 8.150 nan 0.000 0.478 188 N N -2.998 115.674 118.700 -0.048 0.000 2.735 188 N HA -0.140 4.600 4.740 -0.000 0.000 0.248 188 N C -0.712 174.765 175.510 -0.056 0.000 1.083 188 N CA 0.814 53.838 53.050 -0.044 0.000 0.703 188 N CB -2.561 35.912 38.487 -0.024 0.000 1.005 188 N HN 0.191 nan 8.380 nan 0.000 0.550 189 V N 0.244 120.099 119.914 -0.098 0.000 2.406 189 V HA 0.371 4.491 4.120 -0.000 0.000 0.272 189 V C 1.083 177.095 176.094 -0.136 0.000 1.043 189 V CA -0.265 61.958 62.300 -0.129 0.000 0.915 189 V CB 1.201 32.861 31.823 -0.273 0.000 0.988 189 V HN 0.557 nan 8.190 nan 0.000 0.466 190 S N 4.719 120.348 115.700 -0.118 0.000 2.542 190 S HA 0.153 4.623 4.470 -0.000 0.000 0.287 190 S C 0.115 174.710 174.600 -0.010 0.000 1.315 190 S CA 0.402 58.525 58.200 -0.128 0.000 1.037 190 S CB 0.175 63.158 63.200 -0.363 0.000 0.822 190 S HN 0.947 nan 8.310 nan 0.000 0.513 191 T N 2.584 117.196 114.554 0.097 0.000 2.957 191 T HA 0.196 4.546 4.350 -0.000 0.000 0.336 191 T C -1.010 173.711 174.700 0.035 0.000 1.462 191 T CA -0.735 61.446 62.100 0.135 0.000 1.073 191 T CB 1.082 69.990 68.868 0.066 0.000 1.319 191 T HN 0.521 nan 8.240 nan 0.000 0.485 192 V N 4.177 124.008 119.914 -0.139 0.000 2.486 192 V HA 0.085 4.205 4.120 -0.000 0.000 0.290 192 V C -1.854 174.093 176.094 -0.245 0.000 0.991 192 V CA -0.429 61.568 62.300 -0.505 0.000 1.142 192 V CB -0.549 31.043 31.823 -0.385 0.000 0.926 192 V HN 0.654 nan 8.190 nan 0.000 0.472 193 P HA 0.529 nan 4.420 nan 0.000 0.272 193 P C 0.216 177.462 177.300 -0.091 0.000 1.223 193 P CA 0.224 63.257 63.100 -0.112 0.000 0.784 193 P CB 0.929 32.572 31.700 -0.095 0.000 0.923 194 G N 0.356 109.148 108.800 -0.013 0.000 2.466 194 G HA2 0.446 4.406 3.960 -0.000 0.000 0.291 194 G HA3 0.446 4.406 3.960 -0.000 0.000 0.291 194 G C -2.578 172.404 174.900 0.136 0.000 1.460 194 G CA -0.331 44.760 45.100 -0.015 0.000 0.791 194 G HN 0.346 nan 8.290 nan 0.000 0.505 195 Y N 0.812 121.086 120.300 -0.044 0.000 2.346 195 Y HA 0.773 5.323 4.550 -0.000 0.000 0.332 195 Y C -0.836 175.211 175.900 0.245 0.000 0.985 195 Y CA -1.846 56.291 58.100 0.062 0.000 1.112 195 Y CB 2.230 40.684 38.460 -0.011 0.000 1.170 195 Y HN 0.611 nan 8.280 nan 0.000 0.447 196 M N 6.353 125.779 119.600 -0.289 0.000 2.078 196 M HA 0.778 5.258 4.480 -0.000 0.000 0.320 196 M C -0.587 175.353 176.300 -0.601 0.000 0.969 196 M CA -0.319 54.812 55.300 -0.282 0.000 0.929 196 M CB 0.668 33.221 32.600 -0.078 0.000 1.504 196 M HN 0.862 nan 8.290 nan 0.000 0.419 197 G N 2.932 111.312 108.800 -0.700 0.000 2.323 197 G HA2 0.400 4.360 3.960 -0.000 0.000 0.291 197 G HA3 0.400 4.360 3.960 -0.000 0.000 0.291 197 G C -2.641 172.172 174.900 -0.144 0.000 1.278 197 G CA -0.962 43.914 45.100 -0.374 0.000 0.860 197 G HN 0.721 nan 8.290 nan 0.000 0.504 198 L N 0.875 122.156 121.223 0.097 0.000 2.282 198 L HA 0.766 5.106 4.340 -0.000 0.000 0.288 198 L C -0.209 176.828 176.870 0.279 0.000 1.033 198 L CA -0.987 53.950 54.840 0.162 0.000 0.807 198 L CB 0.824 42.949 42.059 0.110 0.000 1.209 198 L HN 0.439 nan 8.230 nan 0.000 0.423 199 I N 4.732 125.492 120.570 0.317 0.000 2.331 199 I HA 0.218 4.388 4.170 -0.000 0.000 0.292 199 I C 1.101 177.361 176.117 0.239 0.000 0.998 199 I CA -0.319 61.148 61.300 0.278 0.000 1.267 199 I CB 1.636 39.811 38.000 0.291 0.000 1.386 199 I HN 0.766 nan 8.210 nan 0.000 0.476 200 E N 4.696 124.967 120.200 0.118 0.000 1.996 200 E HA -0.180 4.169 4.350 -0.000 0.000 0.197 200 E C 0.087 176.789 176.600 0.170 0.000 1.002 200 E CA 1.401 57.869 56.400 0.113 0.000 0.840 200 E CB 0.284 30.011 29.700 0.045 0.000 0.786 200 E HN 0.783 nan 8.360 nan 0.000 0.469 201 D N -2.077 118.334 120.400 0.019 0.000 2.525 201 D HA 0.261 4.901 4.640 -0.000 0.000 0.249 201 D C 0.510 176.493 176.300 -0.528 0.000 1.072 201 D CA 0.115 54.109 54.000 -0.010 0.000 1.067 201 D CB 0.872 41.673 40.800 0.001 0.000 1.282 201 D HN 0.182 nan 8.370 nan 0.000 0.587 202 A N -0.060 122.526 122.820 -0.390 0.000 2.024 202 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 202 A C 1.547 178.891 177.584 -0.400 0.000 1.164 202 A CA 1.682 53.364 52.037 -0.592 0.000 0.643 202 A CB -0.678 18.314 19.000 -0.014 0.000 0.806 202 A HN 0.542 nan 8.150 nan 0.000 0.451 203 D N -0.768 119.489 120.400 -0.238 0.000 2.144 203 D HA -0.131 4.509 4.640 -0.000 0.000 0.200 203 D C 1.908 178.091 176.300 -0.196 0.000 0.978 203 D CA 1.432 55.332 54.000 -0.166 0.000 0.833 203 D CB -0.160 40.580 40.800 -0.100 0.000 0.961 203 D HN 0.758 nan 8.370 nan 0.000 0.470 204 E N 0.013 120.065 120.200 -0.246 0.000 2.216 204 E HA -0.038 4.312 4.350 -0.000 0.000 0.192 204 E C 1.899 178.334 176.600 -0.275 0.000 0.988 204 E CA 0.568 56.834 56.400 -0.224 0.000 0.834 204 E CB 0.134 29.724 29.700 -0.185 0.000 0.772 204 E HN 0.131 nan 8.360 nan 0.000 0.479 205 A N 0.830 123.387 122.820 -0.438 0.000 1.842 205 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 205 A C 2.400 179.857 177.584 -0.213 0.000 1.206 205 A CA 1.885 53.684 52.037 -0.396 0.000 0.630 205 A CB -1.113 17.458 19.000 -0.715 0.000 0.839 205 A HN 0.210 nan 8.150 nan 0.000 0.447 206 V N 0.823 120.619 119.914 -0.197 0.000 2.324 206 V HA -0.298 3.822 4.120 -0.000 0.000 0.250 206 V C 2.640 178.676 176.094 -0.097 0.000 1.060 206 V CA 2.614 64.846 62.300 -0.113 0.000 1.042 206 V CB -0.797 30.969 31.823 -0.095 0.000 0.650 206 V HN 0.712 nan 8.190 nan 0.000 0.450 207 K N 0.853 121.180 120.400 -0.122 0.000 2.103 207 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 207 K C 1.669 178.199 176.600 -0.116 0.000 1.048 207 K CA 1.905 58.127 56.287 -0.109 0.000 0.930 207 K CB -0.599 31.828 32.500 -0.122 0.000 0.716 207 K HN 0.539 nan 8.250 nan 0.000 0.444 208 I N -0.279 120.201 120.570 -0.150 0.000 2.277 208 I HA -0.149 4.021 4.170 -0.000 0.000 0.243 208 I C 2.144 178.202 176.117 -0.097 0.000 1.094 208 I CA 0.758 61.959 61.300 -0.164 0.000 1.393 208 I CB -0.482 37.373 38.000 -0.240 0.000 1.078 208 I HN 0.012 nan 8.210 nan 0.000 0.417 209 S N 1.268 116.923 115.700 -0.074 0.000 2.359 209 S HA -0.249 4.221 4.470 -0.000 0.000 0.222 209 S C 1.811 176.403 174.600 -0.013 0.000 1.038 209 S CA 2.246 60.421 58.200 -0.041 0.000 1.051 209 S CB -0.603 62.579 63.200 -0.030 0.000 0.944 209 S HN 0.414 nan 8.310 nan 0.000 0.433 210 N N 0.730 119.429 118.700 -0.001 0.000 2.205 210 N HA -0.098 4.642 4.740 -0.000 0.000 0.186 210 N C 1.802 177.307 175.510 -0.009 0.000 1.015 210 N CA 0.762 53.829 53.050 0.029 0.000 0.862 210 N CB -0.142 38.360 38.487 0.024 0.000 0.986 210 N HN 0.203 nan 8.380 nan 0.000 0.429 211 Q N 0.297 120.073 119.800 -0.040 0.000 2.230 211 Q HA 0.019 4.359 4.340 -0.000 0.000 0.202 211 Q C 1.825 177.794 176.000 -0.052 0.000 0.963 211 Q CA 0.895 56.667 55.803 -0.053 0.000 0.866 211 Q CB 0.023 28.714 28.738 -0.079 0.000 0.931 211 Q HN 0.492 nan 8.270 nan 0.000 0.452 212 I N -0.930 119.609 120.570 -0.051 0.000 2.400 212 I HA -0.014 4.156 4.170 -0.000 0.000 0.248 212 I C 0.658 176.740 176.117 -0.058 0.000 1.109 212 I CA 0.916 62.182 61.300 -0.055 0.000 1.425 212 I CB 0.220 38.181 38.000 -0.066 0.000 1.094 212 I HN 0.302 nan 8.210 nan 0.000 0.425 213 G N 1.164 109.931 108.800 -0.055 0.000 3.224 213 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.684 213 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.684 213 G C -0.388 174.433 174.900 -0.131 0.000 1.180 213 G CA -0.438 44.592 45.100 -0.117 0.000 1.099 213 G HN 0.307 nan 8.290 nan 0.000 0.476 214 Y N 2.211 122.489 120.300 -0.037 0.000 2.511 214 Y HA 0.646 5.196 4.550 -0.000 0.000 0.347 214 Y C -1.372 174.498 175.900 -0.049 0.000 1.257 214 Y CA -1.609 56.440 58.100 -0.085 0.000 1.469 214 Y CB -0.076 38.343 38.460 -0.068 0.000 1.353 214 Y HN 0.463 nan 8.280 nan 0.000 0.617 215 P HA 0.321 nan 4.420 nan 0.000 0.276 215 P C -0.905 176.283 177.300 -0.188 0.000 1.244 215 P CA -0.281 62.644 63.100 -0.292 0.000 0.801 215 P CB 2.017 32.993 31.700 -1.206 0.000 1.006 216 V N -1.651 118.121 119.914 -0.237 0.000 3.181 216 V HA 0.678 4.798 4.120 -0.000 0.000 0.308 216 V C -0.567 175.415 176.094 -0.186 0.000 1.214 216 V CA -1.300 60.909 62.300 -0.152 0.000 1.053 216 V CB 2.066 33.818 31.823 -0.119 0.000 1.069 216 V HN 0.372 nan 8.190 nan 0.000 0.441 217 M N 3.335 122.854 119.600 -0.136 0.000 2.085 217 M HA 0.574 5.054 4.480 -0.000 0.000 0.309 217 M C -1.294 174.941 176.300 -0.109 0.000 0.947 217 M CA -0.467 54.771 55.300 -0.103 0.000 0.918 217 M CB 1.812 34.403 32.600 -0.016 0.000 1.504 217 M HN 0.445 nan 8.290 nan 0.000 0.420 218 I N 4.032 124.566 120.570 -0.059 0.000 2.312 218 I HA 0.378 4.548 4.170 -0.000 0.000 0.291 218 I C -0.100 176.036 176.117 0.033 0.000 1.031 218 I CA -0.162 61.131 61.300 -0.013 0.000 1.293 218 I CB 0.201 38.232 38.000 0.051 0.000 1.403 218 I HN 0.722 nan 8.210 nan 0.000 0.484 219 K N 4.415 124.860 120.400 0.075 0.000 2.371 219 K HA 0.730 5.050 4.320 -0.000 0.000 0.251 219 K C -0.504 176.171 176.600 0.125 0.000 0.934 219 K CA -0.793 55.563 56.287 0.115 0.000 0.798 219 K CB 2.681 35.293 32.500 0.186 0.000 1.204 219 K HN 0.643 nan 8.250 nan 0.000 0.427 220 A N 1.174 124.034 122.820 0.068 0.000 2.450 220 A HA 0.060 4.380 4.320 -0.000 0.000 0.255 220 A C 1.267 178.880 177.584 0.049 0.000 1.096 220 A CA -0.039 52.024 52.037 0.043 0.000 0.778 220 A CB 0.724 19.726 19.000 0.004 0.000 1.031 220 A HN 0.798 nan 8.150 nan 0.000 0.494 221 S N 1.437 117.158 115.700 0.035 0.000 2.440 221 S HA 0.047 4.517 4.470 -0.000 0.000 0.238 221 S C 1.072 175.651 174.600 -0.035 0.000 1.010 221 S CA 1.312 59.505 58.200 -0.012 0.000 0.972 221 S CB -0.476 62.699 63.200 -0.042 0.000 0.774 221 S HN 1.184 nan 8.310 nan 0.000 0.501 230 R N 2.384 122.888 120.500 0.007 0.000 5.208 230 R HA 0.391 4.731 4.340 -0.000 0.000 0.288 230 R C -2.510 173.735 176.300 -0.091 0.000 0.911 230 R CA -0.335 55.754 56.100 -0.019 0.000 1.439 230 R CB 0.338 30.639 30.300 0.001 0.000 1.266 230 R HN 0.799 nan 8.270 nan 0.000 0.620 231 I N 2.716 123.188 120.570 -0.162 0.000 2.612 231 I HA 0.662 4.832 4.170 -0.000 0.000 0.295 231 I C 0.785 176.698 176.117 -0.341 0.000 1.011 231 I CA -0.357 60.709 61.300 -0.390 0.000 1.326 231 I CB 1.551 39.122 38.000 -0.714 0.000 1.427 231 I HN 0.639 nan 8.210 nan 0.000 0.537 232 A N 4.122 126.642 122.820 -0.501 0.000 2.304 232 A HA 0.508 4.828 4.320 -0.000 0.000 0.314 232 A C -0.518 176.747 177.584 -0.531 0.000 1.187 232 A CA -0.538 51.308 52.037 -0.319 0.000 0.810 232 A CB 0.138 19.034 19.000 -0.173 0.000 1.183 232 A HN 0.852 nan 8.150 nan 0.000 0.487 233 W N 1.753 123.006 121.300 -0.078 0.000 2.907 233 W HA 0.147 4.807 4.660 0.000 0.000 0.271 233 W C 0.647 176.919 176.519 -0.412 0.000 1.253 233 W CA 0.370 57.638 57.345 -0.128 0.000 1.501 233 W CB 0.429 29.827 29.460 -0.102 0.000 1.047 233 W HN 0.794 nan 8.180 nan 0.000 0.610 234 N N 0.281 118.893 118.700 -0.146 0.000 2.329 234 N HA 0.030 4.770 4.740 -0.000 0.000 0.282 234 N C 0.145 175.583 175.510 -0.120 0.000 1.198 234 N CA -0.249 52.656 53.050 -0.242 0.000 0.790 234 N CB 1.033 39.427 38.487 -0.155 0.000 1.579 234 N HN -0.084 nan 8.380 nan 0.000 0.475 235 D N 0.175 120.516 120.400 -0.100 0.000 2.309 235 D HA -0.180 4.460 4.640 -0.000 0.000 0.212 235 D C 0.783 177.063 176.300 -0.033 0.000 0.968 235 D CA 1.202 55.172 54.000 -0.050 0.000 0.882 235 D CB 0.007 40.785 40.800 -0.037 0.000 0.918 235 D HN 0.445 nan 8.370 nan 0.000 0.503 236 Q N 0.123 119.902 119.800 -0.035 0.000 2.369 236 Q HA -0.015 4.325 4.340 -0.000 0.000 0.206 236 Q C 1.871 177.871 176.000 -0.000 0.000 0.963 236 Q CA 0.965 56.760 55.803 -0.015 0.000 0.894 236 Q CB 0.021 28.749 28.738 -0.017 0.000 0.965 236 Q HN 0.621 nan 8.270 nan 0.000 0.475 237 E N -0.932 119.265 120.200 -0.006 0.000 2.201 237 E HA 0.098 4.448 4.350 -0.000 0.000 0.193 237 E C 1.666 178.273 176.600 0.012 0.000 0.957 237 E CA 0.612 57.019 56.400 0.011 0.000 0.858 237 E CB -0.020 29.694 29.700 0.023 0.000 0.816 237 E HN 0.236 nan 8.360 nan 0.000 0.475 238 A N 1.699 124.516 122.820 -0.004 0.000 1.972 238 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 238 A C 2.075 179.700 177.584 0.068 0.000 1.169 238 A CA 1.043 53.087 52.037 0.011 0.000 0.635 238 A CB -0.443 18.548 19.000 -0.016 0.000 0.810 238 A HN 0.123 nan 8.150 nan 0.000 0.446 239 R N 0.006 120.539 120.500 0.056 0.000 2.097 239 R HA -0.190 4.150 4.340 -0.000 0.000 0.236 239 R C 1.898 178.291 176.300 0.155 0.000 1.135 239 R CA 2.002 58.165 56.100 0.105 0.000 0.934 239 R CB -0.842 29.495 30.300 0.061 0.000 0.846 239 R HN 0.744 nan 8.270 nan 0.000 0.431 240 E N -0.459 119.793 120.200 0.088 0.000 2.150 240 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 240 E C 2.047 178.682 176.600 0.058 0.000 0.985 240 E CA 0.957 57.395 56.400 0.064 0.000 0.814 240 E CB -0.243 29.480 29.700 0.038 0.000 0.752 240 E HN 0.509 nan 8.360 nan 0.000 0.466 241 G N 0.891 109.733 108.800 0.070 0.000 2.418 241 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 241 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 241 G C 1.354 176.308 174.900 0.090 0.000 1.158 241 G CA 0.520 45.655 45.100 0.058 0.000 0.771 241 G HN 0.257 nan 8.290 nan 0.000 0.545 242 F N 1.212 121.160 119.950 -0.002 0.000 2.113 242 F HA -0.020 4.507 4.527 -0.000 0.000 0.297 242 F C 2.798 178.605 175.800 0.011 0.000 1.103 242 F CA 1.884 59.889 58.000 0.008 0.000 1.248 242 F CB -0.414 38.591 39.000 0.010 0.000 0.999 242 F HN 0.169 nan 8.300 nan 0.000 0.475 243 Q N 0.639 120.343 119.800 -0.160 0.000 2.045 243 Q HA -0.219 4.121 4.340 -0.000 0.000 0.206 243 Q C 2.645 178.501 176.000 -0.240 0.000 0.991 243 Q CA 2.965 58.614 55.803 -0.255 0.000 0.851 243 Q CB -0.606 28.108 28.738 -0.040 0.000 0.911 243 Q HN 0.571 nan 8.270 nan 0.000 0.418 244 S N -1.334 114.292 115.700 -0.124 0.000 2.382 244 S HA -0.137 4.333 4.470 -0.000 0.000 0.228 244 S C 2.147 176.679 174.600 -0.115 0.000 1.027 244 S CA 1.365 59.511 58.200 -0.090 0.000 0.991 244 S CB -0.523 62.653 63.200 -0.042 0.000 0.823 244 S HN 0.255 nan 8.310 nan 0.000 0.469 245 S N 1.730 117.347 115.700 -0.139 0.000 2.382 245 S HA 0.010 4.480 4.470 -0.000 0.000 0.228 245 S C 1.708 176.205 174.600 -0.171 0.000 1.027 245 S CA 1.006 59.136 58.200 -0.118 0.000 0.991 245 S CB -0.375 62.790 63.200 -0.059 0.000 0.823 245 S HN 0.552 nan 8.310 nan 0.000 0.469 246 K N 1.023 121.227 120.400 -0.327 0.000 2.589 246 K HA -0.027 4.293 4.320 -0.000 0.000 0.195 246 K C -0.235 176.278 176.600 -0.145 0.000 1.040 246 K CA 0.503 56.626 56.287 -0.273 0.000 0.950 246 K CB -0.157 32.108 32.500 -0.392 0.000 0.781 246 K HN 0.380 nan 8.250 nan 0.000 0.486 257 R N 0.630 121.130 120.500 0.001 0.000 2.428 257 R HA 0.708 5.048 4.340 -0.000 0.000 0.294 257 R C -0.060 176.247 176.300 0.011 0.000 1.000 257 R CA -0.459 55.639 56.100 -0.004 0.000 0.960 257 R CB 1.648 31.927 30.300 -0.036 0.000 1.076 257 R HN 0.251 nan 8.270 nan 0.000 0.475 258 I N 2.597 123.182 120.570 0.026 0.000 2.648 258 I HA 0.370 4.540 4.170 -0.000 0.000 0.304 258 I C -0.930 175.229 176.117 0.071 0.000 1.009 258 I CA -0.893 60.455 61.300 0.079 0.000 1.114 258 I CB 1.705 39.807 38.000 0.170 0.000 1.293 258 I HN 0.447 nan 8.210 nan 0.000 0.449 259 F N 6.104 126.020 119.950 -0.056 0.000 2.518 259 F HA 0.611 5.138 4.527 0.000 0.000 0.323 259 F C -1.083 174.726 175.800 0.015 0.000 1.129 259 F CA -0.831 57.124 58.000 -0.075 0.000 0.920 259 F CB 1.121 40.080 39.000 -0.068 0.000 1.160 259 F HN 0.136 nan 8.300 nan 0.000 0.440 260 I N 5.294 125.560 120.570 -0.507 0.000 2.390 260 I HA 0.271 4.441 4.170 -0.000 0.000 0.283 260 I C -0.944 174.698 176.117 -0.792 0.000 1.016 260 I CA -0.663 60.369 61.300 -0.447 0.000 1.151 260 I CB 1.647 39.603 38.000 -0.075 0.000 1.293 260 I HN 0.530 nan 8.210 nan 0.000 0.458 261 E N 5.776 125.462 120.200 -0.856 0.000 2.191 261 E HA 0.301 4.651 4.350 -0.000 0.000 0.274 261 E C -0.586 175.856 176.600 -0.264 0.000 0.948 261 E CA -0.865 55.158 56.400 -0.628 0.000 0.802 261 E CB 1.222 30.629 29.700 -0.488 0.000 1.137 261 E HN 0.218 nan 8.360 nan 0.000 0.397 262 K N 4.282 124.560 120.400 -0.203 0.000 2.349 262 K HA 0.177 4.497 4.320 -0.000 0.000 0.289 262 K C -1.357 175.184 176.600 -0.098 0.000 1.064 262 K CA -0.225 55.971 56.287 -0.150 0.000 0.947 262 K CB -0.149 32.223 32.500 -0.213 0.000 1.007 262 K HN 0.488 nan 8.250 nan 0.000 0.478 263 F N 5.142 124.987 119.950 -0.175 0.000 2.427 263 F HA 0.328 4.855 4.527 0.000 0.000 0.352 263 F C -0.497 175.267 175.800 -0.060 0.000 1.100 263 F CA -0.560 57.364 58.000 -0.127 0.000 1.191 263 F CB 0.794 39.685 39.000 -0.182 0.000 1.128 263 F HN 0.231 nan 8.300 nan 0.000 0.533 264 V N 7.689 127.165 119.914 -0.730 0.000 2.368 264 V HA 0.041 4.161 4.120 -0.000 0.000 0.266 264 V C 0.893 176.819 176.094 -0.281 0.000 1.045 264 V CA 0.024 62.113 62.300 -0.351 0.000 0.899 264 V CB 0.438 32.129 31.823 -0.219 0.000 1.006 264 V HN 1.084 nan 8.190 nan 0.000 0.470 265 T N 3.886 118.527 114.554 0.146 0.000 2.450 265 T HA -0.276 4.074 4.350 -0.000 0.000 0.250 265 T C 0.599 175.429 174.700 0.216 0.000 1.264 265 T CA 1.673 63.972 62.100 0.332 0.000 1.191 265 T CB -0.158 68.887 68.868 0.295 0.000 0.862 265 T HN 0.737 nan 8.240 nan 0.000 0.411 266 Q N 1.494 121.358 119.800 0.106 0.000 2.695 266 Q HA 0.280 4.620 4.340 -0.000 0.000 0.246 266 Q C -2.861 173.125 176.000 -0.025 0.000 0.961 266 Q CA -1.929 53.901 55.803 0.045 0.000 0.708 266 Q CB 2.296 31.049 28.738 0.024 0.000 1.282 266 Q HN 0.329 nan 8.270 nan 0.000 0.482 267 P HA -0.073 nan 4.420 nan 0.000 0.260 267 P C -0.822 176.472 177.300 -0.011 0.000 1.185 267 P CA 0.375 63.469 63.100 -0.009 0.000 0.763 267 P CB 0.544 32.239 31.700 -0.008 0.000 0.776 268 R N 2.347 122.837 120.500 -0.015 0.000 2.476 268 R HA 0.283 4.623 4.340 -0.000 0.000 0.305 268 R C 0.089 176.442 176.300 0.088 0.000 0.965 268 R CA -0.764 55.330 56.100 -0.009 0.000 0.867 268 R CB 1.368 31.583 30.300 -0.142 0.000 1.176 268 R HN 0.581 nan 8.270 nan 0.000 0.447 269 H N 5.477 124.554 119.070 0.013 0.000 2.934 269 H HA 0.246 4.802 4.556 -0.000 0.000 0.273 269 H C -0.774 174.568 175.328 0.024 0.000 1.121 269 H CA 0.011 56.075 56.048 0.027 0.000 1.451 269 H CB 0.229 29.999 29.762 0.014 0.000 1.469 269 H HN 0.546 nan 8.280 nan 0.000 0.476 270 I N 6.230 126.850 120.570 0.083 0.000 2.439 270 I HA 0.156 4.326 4.170 -0.000 0.000 0.285 270 I C -0.013 176.052 176.117 -0.086 0.000 1.021 270 I CA -0.707 60.636 61.300 0.072 0.000 1.091 270 I CB 1.745 39.794 38.000 0.081 0.000 1.242 270 I HN 0.587 nan 8.210 nan 0.000 0.439 271 E N 6.405 126.553 120.200 -0.085 0.000 2.232 271 E HA 0.756 5.106 4.350 -0.000 0.000 0.264 271 E C -1.287 175.139 176.600 -0.290 0.000 0.973 271 E CA -0.918 55.343 56.400 -0.232 0.000 0.849 271 E CB 2.641 32.292 29.700 -0.081 0.000 1.198 271 E HN 0.291 nan 8.360 nan 0.000 0.407 272 I N 1.210 121.543 120.570 -0.395 0.000 2.465 272 I HA 0.119 4.289 4.170 -0.000 0.000 0.291 272 I C -0.801 175.195 176.117 -0.201 0.000 1.014 272 I CA -0.597 60.508 61.300 -0.325 0.000 1.093 272 I CB 2.007 39.718 38.000 -0.483 0.000 1.267 272 I HN 0.491 nan 8.210 nan 0.000 0.431 273 Q N 5.777 125.511 119.800 -0.110 0.000 2.331 273 Q HA 0.639 4.979 4.340 -0.000 0.000 0.257 273 Q C -1.109 174.867 176.000 -0.041 0.000 0.957 273 Q CA -0.454 55.306 55.803 -0.071 0.000 0.923 273 Q CB 1.183 29.900 28.738 -0.035 0.000 1.212 273 Q HN 0.528 nan 8.270 nan 0.000 0.443 274 V N 2.259 122.125 119.914 -0.080 0.000 2.864 274 V HA 0.774 4.894 4.120 -0.000 0.000 0.314 274 V C -1.088 174.950 176.094 -0.092 0.000 1.073 274 V CA -0.998 61.269 62.300 -0.055 0.000 0.956 274 V CB 1.972 33.751 31.823 -0.074 0.000 1.023 274 V HN 0.765 nan 8.190 nan 0.000 0.435 275 L N 2.625 123.824 121.223 -0.041 0.000 2.455 275 L HA 0.702 5.042 4.340 -0.000 0.000 0.264 275 L C -0.253 176.629 176.870 0.021 0.000 0.968 275 L CA -0.361 54.472 54.840 -0.011 0.000 0.827 275 L CB 2.038 44.101 42.059 0.006 0.000 1.317 275 L HN 1.086 nan 8.230 nan 0.000 0.407 276 C N 0.679 120.018 119.300 0.064 0.000 2.767 276 C HA 0.763 5.223 4.460 -0.000 0.000 0.072 276 C C -0.731 174.294 174.990 0.059 0.000 2.295 276 C CA 0.119 59.179 59.018 0.070 0.000 1.569 276 C CB 0.467 28.271 27.740 0.106 0.000 2.527 276 C HN 0.985 nan 8.230 nan 0.000 0.390 277 D N -1.464 118.955 120.400 0.032 0.000 3.302 277 D HA 0.006 4.646 4.640 -0.000 0.000 0.302 277 D C -0.731 175.452 176.300 -0.195 0.000 1.026 277 D CA -0.247 53.710 54.000 -0.072 0.000 0.712 277 D CB -0.438 40.351 40.800 -0.019 0.000 1.610 277 D HN 0.139 nan 8.370 nan 0.000 0.502 278 S N -0.786 114.647 115.700 -0.445 0.000 2.851 278 S HA 0.037 4.507 4.470 -0.000 0.000 0.227 278 S C 0.094 174.462 174.600 -0.387 0.000 0.958 278 S CA -0.143 57.830 58.200 -0.378 0.000 0.990 278 S CB -0.519 62.493 63.200 -0.313 0.000 0.790 278 S HN 0.409 nan 8.310 nan 0.000 0.509 279 H N -0.457 118.630 119.070 0.027 0.000 2.467 279 H HA 0.338 4.894 4.556 -0.000 0.000 0.275 279 H C 1.622 176.966 175.328 0.026 0.000 1.131 279 H CA 0.074 56.136 56.048 0.023 0.000 0.989 279 H CB -0.155 29.620 29.762 0.023 0.000 1.696 279 H HN 0.410 nan 8.280 nan 0.000 0.574 280 G N 1.385 110.230 108.800 0.075 0.000 2.412 280 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.252 280 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.252 280 G C 0.547 175.486 174.900 0.065 0.000 1.038 280 G CA 0.648 45.787 45.100 0.064 0.000 0.628 280 G HN 0.414 nan 8.290 nan 0.000 0.531 281 N N 1.189 119.937 118.700 0.080 0.000 2.371 281 N HA 0.521 5.261 4.740 -0.000 0.000 0.243 281 N C 0.425 175.969 175.510 0.057 0.000 1.287 281 N CA 1.422 54.511 53.050 0.066 0.000 0.911 281 N CB 0.942 39.473 38.487 0.074 0.000 1.142 281 N HN 1.191 nan 8.380 nan 0.000 0.451 282 G N -0.759 108.068 108.800 0.045 0.000 2.503 282 G HA2 0.472 4.432 3.960 -0.000 0.000 0.305 282 G HA3 0.472 4.432 3.960 -0.000 0.000 0.305 282 G C -1.374 173.545 174.900 0.031 0.000 1.575 282 G CA -0.761 44.364 45.100 0.041 0.000 0.890 282 G HN 0.633 nan 8.290 nan 0.000 0.612 283 I N -0.644 119.932 120.570 0.010 0.000 3.102 283 I HA 0.830 5.000 4.170 -0.000 0.000 0.310 283 I C -0.970 175.144 176.117 -0.005 0.000 1.246 283 I CA -1.791 59.491 61.300 -0.030 0.000 0.979 283 I CB 2.400 40.321 38.000 -0.131 0.000 1.267 283 I HN 0.651 nan 8.210 nan 0.000 0.451 284 Y N 2.437 122.707 120.300 -0.049 0.000 2.419 284 Y HA 0.801 5.351 4.550 -0.000 0.000 0.328 284 Y C -0.980 174.878 175.900 -0.069 0.000 1.162 284 Y CA -1.450 56.606 58.100 -0.073 0.000 1.174 284 Y CB 1.176 39.583 38.460 -0.088 0.000 1.228 284 Y HN 0.424 nan 8.280 nan 0.000 0.473 285 L N 3.702 124.955 121.223 0.049 0.000 2.784 285 L HA 0.685 5.025 4.340 -0.000 0.000 0.241 285 L C 0.530 177.410 176.870 0.017 0.000 1.352 285 L CA 0.081 54.906 54.840 -0.026 0.000 0.911 285 L CB 0.331 42.361 42.059 -0.048 0.000 1.227 285 L HN 1.207 nan 8.230 nan 0.000 0.501 286 G N 0.420 109.288 108.800 0.113 0.000 2.782 286 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.228 286 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.228 286 G C -0.696 174.180 174.900 -0.041 0.000 1.372 286 G CA -0.201 44.918 45.100 0.031 0.000 0.862 286 G HN 0.585 nan 8.290 nan 0.000 0.547 287 E N 0.037 120.182 120.200 -0.092 0.000 2.299 287 E HA 0.749 5.099 4.350 -0.000 0.000 0.265 287 E C -0.399 176.140 176.600 -0.102 0.000 0.911 287 E CA -1.016 55.312 56.400 -0.121 0.000 0.789 287 E CB 1.459 31.073 29.700 -0.143 0.000 1.246 287 E HN 0.782 nan 8.360 nan 0.000 0.427 288 R N 1.092 121.549 120.500 -0.071 0.000 2.561 288 R HA 0.353 4.693 4.340 -0.000 0.000 0.297 288 R C -0.549 175.769 176.300 0.029 0.000 0.969 288 R CA -0.693 55.386 56.100 -0.035 0.000 0.879 288 R CB 1.989 32.271 30.300 -0.029 0.000 1.178 288 R HN 0.608 nan 8.270 nan 0.000 0.445 289 E N 2.635 122.871 120.200 0.060 0.000 2.081 289 E HA 0.187 4.537 4.350 -0.000 0.000 0.276 289 E C -0.706 175.935 176.600 0.069 0.000 0.950 289 E CA -0.576 55.886 56.400 0.105 0.000 0.776 289 E CB 0.733 30.511 29.700 0.130 0.000 1.094 289 E HN 0.689 nan 8.360 nan 0.000 0.402 290 C N 3.983 123.302 119.300 0.032 0.000 2.429 290 C HA 0.240 4.700 4.460 -0.000 0.000 0.310 290 C C 1.613 176.506 174.990 -0.162 0.000 1.446 290 C CA -0.536 58.406 59.018 -0.128 0.000 1.747 290 C CB -1.306 26.249 27.740 -0.308 0.000 2.865 290 C HN 0.653 nan 8.230 nan 0.000 0.554 291 S N 1.914 117.600 115.700 -0.024 0.000 2.368 291 S HA -0.051 4.418 4.470 -0.000 0.000 0.224 291 S C 0.788 175.383 174.600 -0.008 0.000 1.029 291 S CA 0.946 59.152 58.200 0.009 0.000 0.988 291 S CB -0.218 62.997 63.200 0.025 0.000 0.838 291 S HN 0.715 nan 8.310 nan 0.000 0.462 292 I N 3.335 123.878 120.570 -0.045 0.000 2.472 292 I HA 0.134 4.304 4.170 -0.000 0.000 0.305 292 I C 0.205 176.327 176.117 0.008 0.000 1.196 292 I CA 0.080 61.365 61.300 -0.024 0.000 1.613 292 I CB -1.230 36.661 38.000 -0.182 0.000 1.501 292 I HN 0.246 nan 8.210 nan 0.000 0.754 293 Q N 4.718 124.543 119.800 0.042 0.000 2.359 293 Q HA 0.642 4.982 4.340 -0.000 0.000 0.274 293 Q C -0.719 175.299 176.000 0.029 0.000 1.074 293 Q CA -1.123 54.690 55.803 0.017 0.000 0.810 293 Q CB 2.434 31.145 28.738 -0.045 0.000 1.342 293 Q HN 0.607 nan 8.270 nan 0.000 0.427 294 R N 1.657 122.150 120.500 -0.011 0.000 2.393 294 R HA 0.439 4.779 4.340 -0.000 0.000 0.310 294 R C -0.387 175.846 176.300 -0.113 0.000 0.968 294 R CA -0.345 55.702 56.100 -0.089 0.000 0.867 294 R CB 0.929 31.083 30.300 -0.243 0.000 1.124 294 R HN 0.885 nan 8.270 nan 0.000 0.450 295 R N 2.937 123.377 120.500 -0.101 0.000 3.610 295 R HA -0.311 4.029 4.340 -0.000 0.000 0.274 295 R C -0.412 175.852 176.300 -0.060 0.000 1.123 295 R CA 1.020 57.069 56.100 -0.086 0.000 0.747 295 R CB -1.402 28.826 30.300 -0.121 0.000 1.149 295 R HN 1.068 nan 8.270 nan 0.000 0.471 296 N N -1.643 117.032 118.700 -0.041 0.000 2.936 296 N HA -0.257 4.483 4.740 -0.000 0.000 0.236 296 N C 0.018 175.506 175.510 -0.037 0.000 0.930 296 N CA 1.804 54.836 53.050 -0.029 0.000 0.966 296 N CB -0.481 37.996 38.487 -0.018 0.000 1.090 296 N HN 0.683 nan 8.380 nan 0.000 0.592 297 Q N 1.833 121.606 119.800 -0.046 0.000 2.296 297 Q HA 0.245 4.585 4.340 -0.000 0.000 0.257 297 Q C -0.512 175.493 176.000 0.009 0.000 0.942 297 Q CA -0.359 55.427 55.803 -0.029 0.000 0.939 297 Q CB 0.742 29.437 28.738 -0.071 0.000 1.198 297 Q HN 0.048 nan 8.270 nan 0.000 0.429 298 K N 2.470 122.875 120.400 0.009 0.000 2.451 298 K HA 0.009 4.329 4.320 -0.000 0.000 0.280 298 K C 0.207 176.847 176.600 0.066 0.000 1.020 298 K CA -0.194 56.087 56.287 -0.010 0.000 1.008 298 K CB 0.960 33.421 32.500 -0.066 0.000 0.917 298 K HN 0.507 nan 8.250 nan 0.000 0.478 299 V N 2.371 122.303 119.914 0.031 0.000 2.911 299 V HA 0.028 4.148 4.120 -0.000 0.000 0.237 299 V C 0.126 176.185 176.094 -0.058 0.000 1.156 299 V CA 0.232 62.560 62.300 0.047 0.000 1.180 299 V CB 0.901 32.785 31.823 0.102 0.000 0.932 299 V HN 0.452 nan 8.190 nan 0.000 0.483 300 V N 1.216 121.074 119.914 -0.094 0.000 2.577 300 V HA 0.617 4.737 4.120 -0.000 0.000 0.303 300 V C -1.223 174.827 176.094 -0.074 0.000 1.042 300 V CA -0.599 61.621 62.300 -0.132 0.000 0.872 300 V CB 1.839 33.500 31.823 -0.270 0.000 0.998 300 V HN 0.424 nan 8.190 nan 0.000 0.423 301 E N 2.769 122.947 120.200 -0.038 0.000 2.256 301 E HA 0.749 5.098 4.350 -0.000 0.000 0.267 301 E C -0.849 175.790 176.600 0.067 0.000 0.892 301 E CA -0.797 55.602 56.400 -0.002 0.000 0.775 301 E CB 2.376 32.057 29.700 -0.032 0.000 1.207 301 E HN 0.890 nan 8.360 nan 0.000 0.420 302 E N 0.236 120.500 120.200 0.107 0.000 2.408 302 E HA 0.862 5.212 4.350 -0.000 0.000 0.275 302 E C -1.511 175.108 176.600 0.031 0.000 0.935 302 E CA -1.564 54.944 56.400 0.180 0.000 0.775 302 E CB 1.981 31.933 29.700 0.420 0.000 1.277 302 E HN 0.428 nan 8.360 nan 0.000 0.455 303 A N 2.118 124.849 122.820 -0.149 0.000 2.488 303 A HA 0.611 4.931 4.320 -0.000 0.000 0.295 303 A C -2.769 174.208 177.584 -1.012 0.000 1.045 303 A CA -1.352 50.431 52.037 -0.424 0.000 0.703 303 A CB 1.581 20.449 19.000 -0.221 0.000 1.271 303 A HN 0.536 nan 8.150 nan 0.000 0.400 304 P HA 0.200 nan 4.420 nan 0.000 0.323 304 P C 0.265 177.245 177.300 -0.533 0.000 1.319 304 P CA -0.137 62.517 63.100 -0.743 0.000 0.741 304 P CB 0.667 32.068 31.700 -0.499 0.000 1.545 305 S N -0.638 115.037 115.700 -0.041 0.000 2.442 305 S HA 0.378 4.848 4.470 -0.000 0.000 0.297 305 S C -1.800 173.079 174.600 0.465 0.000 1.131 305 S CA -1.913 56.438 58.200 0.252 0.000 1.092 305 S CB 0.204 63.508 63.200 0.174 0.000 0.998 305 S HN 0.128 nan 8.310 nan 0.000 0.478 306 P HA -0.003 nan 4.420 nan 0.000 0.228 306 P C 0.472 177.935 177.300 0.272 0.000 1.151 306 P CA 0.599 63.884 63.100 0.309 0.000 0.770 306 P CB 0.091 31.832 31.700 0.068 0.000 0.786 307 F N 0.795 120.815 119.950 0.118 0.000 2.231 307 F HA 0.184 4.711 4.527 -0.000 0.000 0.267 307 F C 0.597 176.443 175.800 0.077 0.000 1.108 307 F CA -0.318 57.729 58.000 0.080 0.000 1.098 307 F CB -0.999 38.046 39.000 0.076 0.000 1.088 307 F HN -0.339 nan 8.300 nan 0.000 0.541 308 L N 2.090 123.366 121.223 0.088 0.000 2.525 308 L HA 0.212 4.552 4.340 -0.000 0.000 0.278 308 L C -0.435 176.408 176.870 -0.044 0.000 1.218 308 L CA -0.844 53.952 54.840 -0.074 0.000 0.878 308 L CB -0.649 41.454 42.059 0.072 0.000 1.127 308 L HN 0.404 nan 8.230 nan 0.000 0.492 309 D N 0.861 121.210 120.400 -0.086 0.000 2.506 309 D HA 0.195 4.835 4.640 -0.000 0.000 0.272 309 D C 0.715 177.007 176.300 -0.013 0.000 1.214 309 D CA -0.474 53.502 54.000 -0.039 0.000 1.067 309 D CB 0.387 41.152 40.800 -0.059 0.000 1.117 309 D HN 0.559 nan 8.370 nan 0.000 0.578 310 E N -0.207 119.994 120.200 0.001 0.000 2.065 310 E HA -0.279 4.071 4.350 -0.000 0.000 0.201 310 E C 2.011 178.618 176.600 0.012 0.000 1.016 310 E CA 1.912 58.319 56.400 0.012 0.000 0.818 310 E CB -0.857 28.854 29.700 0.018 0.000 0.749 310 E HN 0.598 nan 8.360 nan 0.000 0.453 311 A N 0.527 123.353 122.820 0.010 0.000 1.835 311 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 311 A C 2.479 180.076 177.584 0.022 0.000 1.199 311 A CA 2.689 54.737 52.037 0.019 0.000 0.615 311 A CB -1.262 17.748 19.000 0.017 0.000 0.838 311 A HN 0.376 nan 8.150 nan 0.000 0.444 312 T N -1.203 113.365 114.554 0.023 0.000 2.849 312 T HA -0.219 4.131 4.350 -0.000 0.000 0.270 312 T C 2.009 176.692 174.700 -0.028 0.000 1.066 312 T CA 1.970 64.102 62.100 0.054 0.000 1.130 312 T CB -0.357 68.547 68.868 0.060 0.000 0.864 312 T HN 0.544 nan 8.240 nan 0.000 0.481 313 R N -0.071 120.402 120.500 -0.045 0.000 2.062 313 R HA 0.075 4.415 4.340 -0.000 0.000 0.231 313 R C 2.754 178.963 176.300 -0.151 0.000 1.136 313 R CA 1.330 57.375 56.100 -0.092 0.000 0.948 313 R CB -0.154 30.124 30.300 -0.035 0.000 0.845 313 R HN 0.344 nan 8.270 nan 0.000 0.430 314 R N 0.061 120.520 120.500 -0.069 0.000 2.120 314 R HA -0.069 4.271 4.340 -0.000 0.000 0.234 314 R C 2.317 178.531 176.300 -0.143 0.000 1.123 314 R CA 1.154 57.208 56.100 -0.076 0.000 0.975 314 R CB -0.368 29.963 30.300 0.053 0.000 0.866 314 R HN 0.316 nan 8.270 nan 0.000 0.446 315 A N 1.325 124.105 122.820 -0.066 0.000 1.865 315 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 315 A C 2.177 179.685 177.584 -0.128 0.000 1.191 315 A CA 1.685 53.740 52.037 0.031 0.000 0.623 315 A CB -0.446 18.691 19.000 0.228 0.000 0.826 315 A HN 0.199 nan 8.150 nan 0.000 0.444 316 M N -0.764 118.539 119.600 -0.496 0.000 2.200 316 M HA -0.014 4.466 4.480 -0.000 0.000 0.265 316 M C 2.311 178.383 176.300 -0.380 0.000 1.066 316 M CA 1.247 56.190 55.300 -0.595 0.000 1.127 316 M CB -0.556 31.684 32.600 -0.599 0.000 1.379 316 M HN 0.482 nan 8.290 nan 0.000 0.420 317 G N 0.531 108.967 108.800 -0.606 0.000 2.414 317 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.215 317 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.215 317 G C 1.328 175.614 174.900 -1.023 0.000 1.188 317 G CA 0.716 45.078 45.100 -1.230 0.000 0.783 317 G HN 0.466 nan 8.290 nan 0.000 0.537 318 E N -0.094 119.775 120.200 -0.551 0.000 2.058 318 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 318 E C 2.450 179.030 176.600 -0.033 0.000 0.997 318 E CA 1.243 57.578 56.400 -0.109 0.000 0.801 318 E CB -0.179 29.527 29.700 0.010 0.000 0.746 318 E HN 0.595 nan 8.360 nan 0.000 0.450 319 Q N 0.436 120.232 119.800 -0.007 0.000 2.224 319 Q HA -0.134 4.206 4.340 -0.000 0.000 0.203 319 Q C 1.963 178.033 176.000 0.117 0.000 0.970 319 Q CA 0.979 56.837 55.803 0.090 0.000 0.865 319 Q CB -0.005 28.851 28.738 0.196 0.000 0.922 319 Q HN 0.243 nan 8.270 nan 0.000 0.445 320 A N 0.468 123.321 122.820 0.055 0.000 1.824 320 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 320 A C 2.144 179.750 177.584 0.036 0.000 1.209 320 A CA 1.540 53.605 52.037 0.046 0.000 0.614 320 A CB -1.433 17.451 19.000 -0.195 0.000 0.852 320 A HN 0.365 nan 8.150 nan 0.000 0.447 321 V N 0.065 119.994 119.914 0.024 0.000 2.380 321 V HA -0.249 3.871 4.120 -0.000 0.000 0.251 321 V C 2.649 178.784 176.094 0.069 0.000 1.063 321 V CA 2.646 64.993 62.300 0.077 0.000 1.055 321 V CB -1.062 30.871 31.823 0.183 0.000 0.657 321 V HN 0.673 nan 8.190 nan 0.000 0.455 322 A N 0.186 123.045 122.820 0.066 0.000 1.851 322 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 322 A C 2.197 179.809 177.584 0.048 0.000 1.195 322 A CA 2.241 54.312 52.037 0.056 0.000 0.622 322 A CB -0.967 18.064 19.000 0.051 0.000 0.831 322 A HN 0.743 nan 8.150 nan 0.000 0.444 323 L N -0.129 121.124 121.223 0.050 0.000 2.129 323 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 323 L C 2.467 179.371 176.870 0.057 0.000 1.087 323 L CA 2.110 56.972 54.840 0.037 0.000 0.757 323 L CB -0.927 41.161 42.059 0.049 0.000 0.896 323 L HN 0.425 nan 8.230 nan 0.000 0.434 324 A N 0.265 123.121 122.820 0.060 0.000 1.844 324 A HA -0.319 4.001 4.320 -0.000 0.000 0.214 324 A C 2.229 179.871 177.584 0.096 0.000 1.217 324 A CA 2.523 54.598 52.037 0.063 0.000 0.644 324 A CB -0.882 18.134 19.000 0.027 0.000 0.850 324 A HN 0.535 nan 8.150 nan 0.000 0.456 325 K N -0.324 120.123 120.400 0.079 0.000 2.052 325 K HA -0.237 4.083 4.320 -0.000 0.000 0.215 325 K C 2.116 178.754 176.600 0.064 0.000 1.053 325 K CA 1.615 57.946 56.287 0.073 0.000 0.934 325 K CB -0.630 31.904 32.500 0.057 0.000 0.717 325 K HN 0.532 nan 8.250 nan 0.000 0.450 326 A N 0.749 123.600 122.820 0.052 0.000 2.117 326 A HA -0.203 4.117 4.320 -0.000 0.000 0.224 326 A C 2.195 179.804 177.584 0.043 0.000 1.167 326 A CA 2.132 54.191 52.037 0.037 0.000 0.664 326 A CB -0.494 18.519 19.000 0.022 0.000 0.811 326 A HN 0.248 nan 8.150 nan 0.000 0.470 327 V N -2.009 117.947 119.914 0.069 0.000 3.556 327 V HA 0.466 4.586 4.120 -0.000 0.000 0.287 327 V C 1.084 177.216 176.094 0.063 0.000 1.422 327 V CA 1.227 63.569 62.300 0.071 0.000 1.038 327 V CB -0.297 31.590 31.823 0.107 0.000 0.850 327 V HN 1.541 nan 8.190 nan 0.000 0.437 328 G N 0.620 109.464 108.800 0.073 0.000 2.291 328 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.271 328 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.271 328 G C -0.351 174.582 174.900 0.054 0.000 1.099 328 G CA 0.365 45.493 45.100 0.047 0.000 0.919 328 G HN 0.630 nan 8.290 nan 0.000 0.496 329 Y N 0.406 120.709 120.300 0.005 0.000 2.304 329 Y HA 0.604 5.154 4.550 0.000 0.000 0.328 329 Y C 1.081 176.978 175.900 -0.006 0.000 1.123 329 Y CA 0.534 58.638 58.100 0.007 0.000 1.218 329 Y CB 1.358 39.835 38.460 0.027 0.000 1.207 329 Y HN 0.372 nan 8.280 nan 0.000 0.495 330 A N 2.824 125.696 122.820 0.087 0.000 2.179 330 A HA 0.144 4.464 4.320 -0.000 0.000 0.224 330 A C 1.616 179.335 177.584 0.226 0.000 1.759 330 A CA 0.866 52.955 52.037 0.088 0.000 0.688 330 A CB -1.012 17.949 19.000 -0.064 0.000 1.342 330 A HN 0.702 nan 8.150 nan 0.000 0.543 331 S N -0.352 115.473 115.700 0.210 0.000 2.465 331 S HA 0.368 4.838 4.470 -0.000 0.000 0.215 331 S C 0.750 175.525 174.600 0.292 0.000 1.438 331 S CA 0.385 58.721 58.200 0.228 0.000 1.223 331 S CB -0.372 62.935 63.200 0.178 0.000 0.636 331 S HN 1.036 nan 8.310 nan 0.000 0.421 332 A N -0.545 122.417 122.820 0.237 0.000 2.324 332 A HA 0.743 5.063 4.320 -0.000 0.000 0.330 332 A C 0.090 177.702 177.584 0.047 0.000 1.165 332 A CA -0.052 52.033 52.037 0.080 0.000 0.813 332 A CB 1.123 20.148 19.000 0.041 0.000 1.197 332 A HN 0.858 nan 8.150 nan 0.000 0.484 333 G N -0.766 107.879 108.800 -0.257 0.000 2.682 333 G HA2 0.591 4.551 3.960 -0.000 0.000 0.290 333 G HA3 0.591 4.551 3.960 -0.000 0.000 0.290 333 G C -1.079 173.683 174.900 -0.230 0.000 1.425 333 G CA -0.075 44.839 45.100 -0.310 0.000 0.807 333 G HN 0.906 nan 8.290 nan 0.000 0.482 334 T N -0.703 113.770 114.554 -0.135 0.000 2.841 334 T HA 0.558 4.908 4.350 -0.000 0.000 0.283 334 T C -0.524 174.112 174.700 -0.106 0.000 1.000 334 T CA -0.382 61.649 62.100 -0.114 0.000 0.977 334 T CB 1.165 69.994 68.868 -0.064 0.000 0.979 334 T HN 1.382 nan 8.240 nan 0.000 0.446 335 V N 2.894 122.713 119.914 -0.160 0.000 2.313 335 V HA 0.631 4.751 4.120 -0.000 0.000 0.278 335 V C -0.105 175.813 176.094 -0.293 0.000 1.017 335 V CA -0.866 61.357 62.300 -0.128 0.000 0.823 335 V CB 0.893 32.680 31.823 -0.060 0.000 1.010 335 V HN 0.898 nan 8.190 nan 0.000 0.443 336 E N 5.405 125.481 120.200 -0.206 0.000 2.289 336 E HA 0.510 4.860 4.350 -0.000 0.000 0.278 336 E C -0.967 175.632 176.600 -0.002 0.000 1.032 336 E CA -0.127 56.121 56.400 -0.254 0.000 0.854 336 E CB 1.467 30.993 29.700 -0.291 0.000 1.046 336 E HN 0.738 nan 8.360 nan 0.000 0.409 337 F N 1.392 121.194 119.950 -0.246 0.000 2.594 337 F HA 0.475 5.002 4.527 -0.000 0.000 0.335 337 F C 0.179 175.907 175.800 -0.119 0.000 1.058 337 F CA -1.434 56.507 58.000 -0.098 0.000 0.981 337 F CB 1.289 40.273 39.000 -0.026 0.000 1.289 337 F HN 0.248 nan 8.300 nan 0.000 0.490 338 I N 2.011 122.708 120.570 0.213 0.000 2.750 338 I HA 0.175 4.345 4.170 -0.000 0.000 0.279 338 I C -0.321 175.911 176.117 0.192 0.000 1.206 338 I CA -0.154 61.237 61.300 0.152 0.000 1.101 338 I CB 0.736 38.824 38.000 0.146 0.000 1.431 338 I HN 0.087 nan 8.210 nan 0.000 0.551 339 V N 4.255 124.269 119.914 0.167 0.000 2.872 339 V HA 0.092 4.212 4.120 -0.000 0.000 0.307 339 V C 0.537 176.698 176.094 0.111 0.000 1.072 339 V CA 0.119 62.515 62.300 0.159 0.000 1.148 339 V CB 0.613 32.581 31.823 0.241 0.000 0.954 339 V HN 0.767 nan 8.190 nan 0.000 0.490 340 D N 3.087 123.567 120.400 0.134 0.000 2.607 340 D HA 0.342 4.982 4.640 -0.000 0.000 0.253 340 D C 1.348 177.735 176.300 0.145 0.000 1.171 340 D CA 0.152 54.222 54.000 0.118 0.000 1.084 340 D CB 0.383 41.286 40.800 0.173 0.000 1.203 340 D HN 0.454 nan 8.370 nan 0.000 0.629 341 G N -1.424 107.480 108.800 0.173 0.000 2.471 341 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.219 341 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.219 341 G C 0.780 175.888 174.900 0.346 0.000 1.125 341 G CA 0.465 45.711 45.100 0.243 0.000 0.775 341 G HN 0.341 nan 8.290 nan 0.000 0.548 342 Q N -0.227 119.729 119.800 0.260 0.000 2.189 342 Q HA 0.274 4.614 4.340 -0.000 0.000 0.221 342 Q C 0.338 176.426 176.000 0.146 0.000 0.848 342 Q CA -0.215 55.694 55.803 0.177 0.000 1.007 342 Q CB 0.496 29.292 28.738 0.096 0.000 1.116 342 Q HN 0.498 nan 8.270 nan 0.000 0.481 343 K N 0.528 121.096 120.400 0.281 0.000 3.341 343 K HA -0.127 4.193 4.320 -0.000 0.000 0.305 343 K C -0.190 176.488 176.600 0.130 0.000 1.270 343 K CA 0.269 56.695 56.287 0.233 0.000 0.897 343 K CB -1.002 31.514 32.500 0.027 0.000 1.264 343 K HN 0.227 nan 8.250 nan 0.000 0.468 344 N N 1.492 120.206 118.700 0.022 0.000 2.402 344 N HA 0.078 4.818 4.740 -0.000 0.000 0.259 344 N C -0.342 174.844 175.510 -0.540 0.000 1.167 344 N CA 0.254 53.147 53.050 -0.263 0.000 0.949 344 N CB 0.125 38.509 38.487 -0.172 0.000 1.212 344 N HN 0.139 nan 8.380 nan 0.000 0.493 345 F N 2.455 122.061 119.950 -0.573 0.000 2.377 345 F HA 0.536 5.063 4.527 -0.000 0.000 0.328 345 F C -0.344 174.850 175.800 -1.012 0.000 1.094 345 F CA -0.733 56.904 58.000 -0.605 0.000 1.093 345 F CB 0.492 39.354 39.000 -0.230 0.000 1.214 345 F HN 0.253 nan 8.300 nan 0.000 0.518 346 Y N 0.931 121.249 120.300 0.029 0.000 3.300 346 Y HA 0.635 5.185 4.550 -0.000 0.000 0.297 346 Y C -1.200 174.619 175.900 -0.135 0.000 1.747 346 Y CA -0.998 57.046 58.100 -0.094 0.000 0.937 346 Y CB 1.163 39.601 38.460 -0.036 0.000 1.377 346 Y HN 0.633 nan 8.280 nan 0.000 0.662 347 F N 0.998 120.974 119.950 0.043 0.000 2.722 347 F HA 0.348 4.875 4.527 -0.000 0.000 0.336 347 F C -1.228 174.639 175.800 0.112 0.000 1.216 347 F CA -0.799 57.235 58.000 0.056 0.000 1.065 347 F CB 0.900 39.892 39.000 -0.014 0.000 1.325 347 F HN 0.396 nan 8.300 nan 0.000 0.524 348 L N 3.849 124.813 121.223 -0.432 0.000 2.200 348 L HA 0.337 4.677 4.340 -0.000 0.000 0.200 348 L C -0.071 176.379 176.870 -0.699 0.000 1.072 348 L CA 1.206 55.820 54.840 -0.376 0.000 0.787 348 L CB 0.096 42.032 42.059 -0.205 0.000 0.957 348 L HN 0.828 nan 8.230 nan 0.000 0.459 349 E N -1.380 118.212 120.200 -1.013 0.000 2.401 349 E HA 0.189 4.539 4.350 -0.000 0.000 0.276 349 E C -1.181 175.200 176.600 -0.365 0.000 1.184 349 E CA -0.760 55.204 56.400 -0.726 0.000 0.902 349 E CB 0.956 30.522 29.700 -0.223 0.000 1.356 349 E HN 0.002 nan 8.360 nan 0.000 0.420 350 M N 1.700 121.291 119.600 -0.016 0.000 2.393 350 M HA 0.475 4.955 4.480 -0.000 0.000 0.316 350 M C -1.782 174.574 176.300 0.094 0.000 1.087 350 M CA -0.709 54.644 55.300 0.088 0.000 0.937 350 M CB 1.729 34.467 32.600 0.230 0.000 1.668 350 M HN 0.499 nan 8.290 nan 0.000 0.438 351 N N 3.212 121.956 118.700 0.074 0.000 2.444 351 N HA 0.244 4.984 4.740 -0.000 0.000 0.262 351 N C -0.793 174.828 175.510 0.186 0.000 0.974 351 N CA -0.151 52.960 53.050 0.103 0.000 0.933 351 N CB 1.744 40.265 38.487 0.056 0.000 1.137 351 N HN 0.642 nan 8.380 nan 0.000 0.498 352 T N 0.744 115.456 114.554 0.263 0.000 3.688 352 T HA 0.428 4.778 4.350 -0.000 0.000 0.307 352 T C 0.500 175.388 174.700 0.314 0.000 1.382 352 T CA -0.560 61.793 62.100 0.422 0.000 1.136 352 T CB -0.341 68.674 68.868 0.245 0.000 1.207 352 T HN 0.730 nan 8.240 nan 0.000 0.854 353 R N 0.444 121.134 120.500 0.317 0.000 3.067 353 R HA 0.400 4.740 4.340 -0.000 0.000 0.276 353 R C -1.922 174.487 176.300 0.182 0.000 0.940 353 R CA -1.263 54.985 56.100 0.246 0.000 0.816 353 R CB 0.257 30.687 30.300 0.217 0.000 1.501 353 R HN 0.231 nan 8.270 nan 0.000 0.478 354 L N 2.317 123.644 121.223 0.172 0.000 2.276 354 L HA 0.366 4.706 4.340 -0.000 0.000 0.286 354 L C -0.577 176.324 176.870 0.050 0.000 1.061 354 L CA -0.172 54.724 54.840 0.094 0.000 0.807 354 L CB 1.497 43.612 42.059 0.093 0.000 1.177 354 L HN 0.624 nan 8.230 nan 0.000 0.429 355 Q N 3.285 123.083 119.800 -0.003 0.000 2.293 355 Q HA 0.138 4.478 4.340 -0.000 0.000 0.251 355 Q C 1.158 177.153 176.000 -0.007 0.000 0.930 355 Q CA -0.261 55.508 55.803 -0.057 0.000 0.893 355 Q CB 2.201 30.932 28.738 -0.012 0.000 1.215 355 Q HN 0.642 nan 8.270 nan 0.000 0.425 356 V N 2.240 122.002 119.914 -0.254 0.000 2.282 356 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 356 V C 1.848 177.953 176.094 0.018 0.000 1.057 356 V CA 2.303 64.501 62.300 -0.170 0.000 1.032 356 V CB -0.484 31.165 31.823 -0.291 0.000 0.645 356 V HN 0.796 nan 8.190 nan 0.000 0.447 357 E N 1.259 121.439 120.200 -0.032 0.000 2.438 357 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 357 E C 1.666 178.238 176.600 -0.045 0.000 1.110 357 E CA 0.610 56.978 56.400 -0.052 0.000 0.893 357 E CB -0.801 28.867 29.700 -0.053 0.000 0.990 357 E HN 0.919 nan 8.360 nan 0.000 0.490 358 H N 0.509 119.556 119.070 -0.037 0.000 2.423 358 H HA 0.079 4.635 4.556 -0.000 0.000 0.297 358 H C -0.969 174.344 175.328 -0.025 0.000 1.075 358 H CA 0.538 56.569 56.048 -0.027 0.000 1.342 358 H CB -1.648 28.110 29.762 -0.007 0.000 1.395 358 H HN 0.120 nan 8.280 nan 0.000 0.530 359 P HA -0.183 nan 4.420 nan 0.000 0.218 359 P C 2.057 179.242 177.300 -0.192 0.000 1.152 359 P CA 1.896 64.723 63.100 -0.456 0.000 0.857 359 P CB -0.111 31.369 31.700 -0.367 0.000 0.787 360 V N -1.340 118.492 119.914 -0.137 0.000 2.295 360 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 360 V C 2.252 178.299 176.094 -0.078 0.000 1.049 360 V CA 2.619 64.878 62.300 -0.068 0.000 1.024 360 V CB -2.120 29.675 31.823 -0.047 0.000 0.648 360 V HN 0.158 nan 8.190 nan 0.000 0.447 361 T N 0.176 114.688 114.554 -0.071 0.000 2.652 361 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 361 T C 1.840 176.493 174.700 -0.078 0.000 1.039 361 T CA 2.033 64.095 62.100 -0.063 0.000 1.153 361 T CB -0.389 68.469 68.868 -0.017 0.000 0.863 361 T HN 0.640 nan 8.240 nan 0.000 0.428 362 E N 0.790 120.951 120.200 -0.065 0.000 2.171 362 E HA -0.089 4.261 4.350 -0.000 0.000 0.197 362 E C 1.806 178.302 176.600 -0.173 0.000 0.997 362 E CA 0.815 57.164 56.400 -0.085 0.000 0.810 362 E CB -0.312 29.359 29.700 -0.049 0.000 0.738 362 E HN 0.448 nan 8.360 nan 0.000 0.467 363 L N 0.921 122.028 121.223 -0.194 0.000 2.627 363 L HA 0.071 4.411 4.340 -0.000 0.000 0.233 363 L C 1.892 178.454 176.870 -0.513 0.000 1.144 363 L CA 0.231 54.860 54.840 -0.351 0.000 0.892 363 L CB -0.139 41.818 42.059 -0.171 0.000 1.039 363 L HN 0.280 nan 8.230 nan 0.000 0.442 364 I N -6.141 114.251 120.570 -0.296 0.000 4.770 364 I HA 0.066 4.236 4.170 -0.000 0.000 0.327 364 I C 1.978 177.988 176.117 -0.178 0.000 1.271 364 I CA 0.472 61.644 61.300 -0.213 0.000 1.320 364 I CB -0.012 37.945 38.000 -0.072 0.000 1.319 364 I HN -0.024 nan 8.210 nan 0.000 0.462 365 T N -1.115 113.340 114.554 -0.164 0.000 3.009 365 T HA 0.295 4.645 4.350 -0.000 0.000 0.258 365 T C 1.631 176.251 174.700 -0.133 0.000 1.063 365 T CA 0.840 62.865 62.100 -0.124 0.000 1.139 365 T CB -0.252 68.559 68.868 -0.096 0.000 0.890 365 T HN 0.843 nan 8.240 nan 0.000 0.471 366 G N 0.749 109.447 108.800 -0.170 0.000 2.248 366 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.252 366 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.252 366 G C -0.221 174.619 174.900 -0.101 0.000 1.085 366 G CA -0.126 44.880 45.100 -0.156 0.000 0.845 366 G HN 0.827 nan 8.290 nan 0.000 0.494 367 V N -0.732 119.132 119.914 -0.084 0.000 3.078 367 V HA 0.738 4.858 4.120 -0.000 0.000 0.311 367 V C -0.851 175.232 176.094 -0.018 0.000 1.138 367 V CA -0.819 61.454 62.300 -0.045 0.000 1.007 367 V CB 2.238 34.038 31.823 -0.037 0.000 1.045 367 V HN 0.319 nan 8.190 nan 0.000 0.432 368 D N 1.693 122.095 120.400 0.003 0.000 2.464 368 D HA 0.374 5.014 4.640 -0.000 0.000 0.243 368 D C 0.933 177.258 176.300 0.041 0.000 1.104 368 D CA -0.298 53.722 54.000 0.032 0.000 0.883 368 D CB 1.207 42.022 40.800 0.025 0.000 1.050 368 D HN 0.453 nan 8.370 nan 0.000 0.524 369 L N 2.438 123.695 121.223 0.056 0.000 2.189 369 L HA -0.189 4.151 4.340 -0.000 0.000 0.214 369 L C 2.083 178.962 176.870 0.016 0.000 1.097 369 L CA 0.834 55.688 54.840 0.022 0.000 0.764 369 L CB -0.169 41.883 42.059 -0.012 0.000 0.900 369 L HN 0.342 nan 8.230 nan 0.000 0.436 370 V N -0.650 119.276 119.914 0.020 0.000 2.548 370 V HA -0.210 3.910 4.120 -0.000 0.000 0.249 370 V C 2.327 178.465 176.094 0.072 0.000 1.055 370 V CA 1.583 63.914 62.300 0.052 0.000 1.065 370 V CB -0.441 31.402 31.823 0.033 0.000 0.681 370 V HN 0.500 nan 8.190 nan 0.000 0.462 371 E N 0.579 120.813 120.200 0.056 0.000 1.998 371 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 371 E C 2.297 178.937 176.600 0.067 0.000 1.003 371 E CA 1.481 57.917 56.400 0.059 0.000 0.829 371 E CB -0.202 29.522 29.700 0.040 0.000 0.777 371 E HN 0.538 nan 8.360 nan 0.000 0.460 372 Q N 0.181 120.012 119.800 0.053 0.000 2.156 372 Q HA -0.262 4.078 4.340 -0.000 0.000 0.211 372 Q C 2.258 178.298 176.000 0.066 0.000 0.995 372 Q CA 1.862 57.699 55.803 0.056 0.000 0.877 372 Q CB -0.642 28.120 28.738 0.039 0.000 0.920 372 Q HN 0.507 nan 8.270 nan 0.000 0.416 373 M N 0.208 119.845 119.600 0.062 0.000 2.082 373 M HA -0.192 4.288 4.480 -0.000 0.000 0.258 373 M C 2.344 178.675 176.300 0.051 0.000 1.069 373 M CA 1.767 57.101 55.300 0.057 0.000 1.102 373 M CB -0.401 32.234 32.600 0.059 0.000 1.336 373 M HN 0.332 nan 8.290 nan 0.000 0.404 374 I N -2.252 118.362 120.570 0.074 0.000 2.286 374 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 374 I C 2.292 178.473 176.117 0.107 0.000 1.104 374 I CA 0.822 62.169 61.300 0.079 0.000 1.397 374 I CB -0.760 37.308 38.000 0.114 0.000 1.072 374 I HN 0.156 nan 8.210 nan 0.000 0.417 375 R N 2.066 122.652 120.500 0.144 0.000 2.136 375 R HA -0.187 4.153 4.340 -0.000 0.000 0.242 375 R C 2.630 179.023 176.300 0.154 0.000 1.131 375 R CA 2.336 58.548 56.100 0.188 0.000 0.937 375 R CB -1.516 28.866 30.300 0.138 0.000 0.863 375 R HN 0.612 nan 8.270 nan 0.000 0.435 376 V N -1.097 118.883 119.914 0.109 0.000 2.358 376 V HA -0.035 4.084 4.120 -0.000 0.000 0.246 376 V C 2.336 178.452 176.094 0.037 0.000 1.047 376 V CA 1.906 64.257 62.300 0.086 0.000 1.035 376 V CB -1.197 30.661 31.823 0.057 0.000 0.658 376 V HN 0.270 nan 8.190 nan 0.000 0.452 377 A N 0.503 123.336 122.820 0.022 0.000 2.272 377 A HA 0.437 4.757 4.320 -0.000 0.000 0.213 377 A C 1.655 179.221 177.584 -0.031 0.000 1.183 377 A CA 1.276 53.308 52.037 -0.009 0.000 0.719 377 A CB -0.839 18.155 19.000 -0.010 0.000 0.771 377 A HN 1.362 nan 8.150 nan 0.000 0.484 378 A N -0.307 122.506 122.820 -0.011 0.000 3.218 378 A HA 0.533 4.852 4.320 -0.000 0.000 0.321 378 A C 0.929 178.551 177.584 0.062 0.000 1.012 378 A CA 0.121 52.114 52.037 -0.073 0.000 0.948 378 A CB -1.030 17.840 19.000 -0.217 0.000 1.050 378 A HN 1.618 nan 8.150 nan 0.000 0.492 379 G N 0.698 109.570 108.800 0.119 0.000 2.376 379 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.226 379 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.226 379 G C -0.153 174.980 174.900 0.388 0.000 0.268 379 G CA 1.259 46.571 45.100 0.354 0.000 1.066 379 G HN 0.896 nan 8.290 nan 0.000 0.474 380 E N 2.573 123.128 120.200 0.592 0.000 2.392 380 E HA 0.541 4.891 4.350 -0.000 0.000 0.279 380 E C -2.582 174.187 176.600 0.282 0.000 0.964 380 E CA -1.867 54.685 56.400 0.253 0.000 0.777 380 E CB 2.774 32.596 29.700 0.204 0.000 1.249 380 E HN 0.304 nan 8.360 nan 0.000 0.449 381 P HA 0.321 nan 4.420 nan 0.000 0.306 381 P C -0.736 176.619 177.300 0.092 0.000 1.309 381 P CA -0.539 62.628 63.100 0.112 0.000 0.759 381 P CB 0.974 32.688 31.700 0.024 0.000 1.314 382 L N 0.856 122.116 121.223 0.063 0.000 2.280 382 L HA 0.199 4.539 4.340 -0.000 0.000 0.287 382 L C 1.851 178.731 176.870 0.017 0.000 1.023 382 L CA -0.397 54.467 54.840 0.039 0.000 0.819 382 L CB 1.322 43.398 42.059 0.028 0.000 1.212 382 L HN 0.429 nan 8.230 nan 0.000 0.420 383 S N 3.717 119.424 115.700 0.012 0.000 2.465 383 S HA -0.069 4.401 4.470 -0.000 0.000 0.241 383 S C 0.585 175.179 174.600 -0.011 0.000 1.000 383 S CA 0.480 58.680 58.200 -0.001 0.000 0.964 383 S CB -0.555 62.643 63.200 -0.004 0.000 0.763 383 S HN 0.608 nan 8.310 nan 0.000 0.512 384 I N -0.936 119.624 120.570 -0.017 0.000 2.647 384 I HA 0.657 4.827 4.170 -0.000 0.000 0.295 384 I C -0.233 175.860 176.117 -0.039 0.000 1.078 384 I CA -1.050 60.232 61.300 -0.031 0.000 1.048 384 I CB 2.195 40.170 38.000 -0.042 0.000 1.239 384 I HN 0.056 nan 8.210 nan 0.000 0.421 385 T N 0.480 115.007 114.554 -0.045 0.000 2.849 385 T HA 0.298 4.648 4.350 -0.000 0.000 0.276 385 T C 0.793 175.438 174.700 -0.091 0.000 0.971 385 T CA -0.536 61.532 62.100 -0.053 0.000 0.949 385 T CB 1.278 70.124 68.868 -0.037 0.000 1.093 385 T HN 0.693 nan 8.240 nan 0.000 0.545 386 Q N 0.101 119.834 119.800 -0.111 0.000 2.170 386 Q HA -0.022 4.318 4.340 -0.000 0.000 0.203 386 Q C 2.415 178.332 176.000 -0.139 0.000 0.976 386 Q CA 1.738 57.431 55.803 -0.184 0.000 0.858 386 Q CB -0.944 27.689 28.738 -0.175 0.000 0.907 386 Q HN 0.974 nan 8.270 nan 0.000 0.433 387 G N 1.081 109.833 108.800 -0.079 0.000 2.471 387 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.219 387 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.219 387 G C 0.794 175.661 174.900 -0.056 0.000 1.125 387 G CA 0.774 45.842 45.100 -0.054 0.000 0.775 387 G HN 0.281 nan 8.290 nan 0.000 0.548 388 D N 0.649 121.010 120.400 -0.065 0.000 2.146 388 D HA -0.041 4.599 4.640 -0.000 0.000 0.209 388 D C 1.643 177.900 176.300 -0.073 0.000 0.973 388 D CA 0.154 54.119 54.000 -0.058 0.000 0.860 388 D CB -0.979 39.790 40.800 -0.052 0.000 1.015 388 D HN 0.032 nan 8.370 nan 0.000 0.465 389 V N 2.710 122.562 119.914 -0.103 0.000 2.841 389 V HA -0.136 3.984 4.120 -0.000 0.000 0.252 389 V C 0.857 176.889 176.094 -0.103 0.000 0.951 389 V CA 0.438 62.666 62.300 -0.120 0.000 1.170 389 V CB -1.168 30.542 31.823 -0.188 0.000 0.936 389 V HN 0.073 nan 8.190 nan 0.000 0.473 390 K N 4.863 125.219 120.400 -0.072 0.000 2.098 390 K HA 0.515 4.835 4.320 -0.000 0.000 0.258 390 K C -0.552 176.017 176.600 -0.051 0.000 0.973 390 K CA -0.697 55.560 56.287 -0.050 0.000 0.898 390 K CB 1.543 34.025 32.500 -0.030 0.000 1.057 390 K HN 0.551 nan 8.250 nan 0.000 0.447 391 L N 3.906 125.109 121.223 -0.033 0.000 2.356 391 L HA 0.279 4.619 4.340 -0.000 0.000 0.264 391 L C -0.115 176.760 176.870 0.009 0.000 1.029 391 L CA -0.672 54.145 54.840 -0.039 0.000 0.897 391 L CB 1.331 43.357 42.059 -0.056 0.000 1.256 391 L HN 0.488 nan 8.230 nan 0.000 0.444 392 T N 0.930 115.511 114.554 0.046 0.000 2.909 392 T HA 0.572 4.922 4.350 -0.000 0.000 0.286 392 T C 0.848 175.803 174.700 0.425 0.000 1.002 392 T CA 0.280 62.488 62.100 0.179 0.000 1.074 392 T CB 1.800 70.780 68.868 0.188 0.000 0.984 392 T HN 0.845 nan 8.240 nan 0.000 0.495 393 G N 1.117 110.152 108.800 0.392 0.000 2.625 393 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.311 393 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.311 393 G C -0.807 174.286 174.900 0.322 0.000 1.324 393 G CA -0.115 45.172 45.100 0.312 0.000 0.918 393 G HN 0.717 nan 8.290 nan 0.000 0.556 394 W N -0.631 120.673 121.300 0.007 0.000 2.647 394 W HA 0.709 5.369 4.660 0.000 0.000 0.353 394 W C 0.322 176.972 176.519 0.217 0.000 1.080 394 W CA 0.323 57.726 57.345 0.097 0.000 1.208 394 W CB 2.259 31.703 29.460 -0.026 0.000 1.396 394 W HN 1.119 nan 8.180 nan 0.000 0.573 395 A N 2.699 125.747 122.820 0.380 0.000 2.427 395 A HA 0.806 5.126 4.320 -0.000 0.000 0.298 395 A C -1.761 175.989 177.584 0.278 0.000 1.036 395 A CA -0.520 51.711 52.037 0.324 0.000 0.701 395 A CB 0.785 19.920 19.000 0.225 0.000 1.250 395 A HN 0.421 nan 8.150 nan 0.000 0.412 396 I N 0.902 121.614 120.570 0.237 0.000 2.646 396 I HA 0.562 4.732 4.170 -0.000 0.000 0.299 396 I C -0.037 176.143 176.117 0.104 0.000 1.036 396 I CA -0.170 61.250 61.300 0.200 0.000 1.074 396 I CB 2.201 40.338 38.000 0.228 0.000 1.258 396 I HN 0.735 nan 8.210 nan 0.000 0.430 397 E N 4.750 124.981 120.200 0.053 0.000 2.265 397 E HA 0.418 4.768 4.350 -0.000 0.000 0.262 397 E C -1.543 175.025 176.600 -0.054 0.000 0.889 397 E CA -0.684 55.712 56.400 -0.006 0.000 0.789 397 E CB 1.101 30.780 29.700 -0.033 0.000 1.221 397 E HN 0.527 nan 8.360 nan 0.000 0.414 398 N N 2.686 121.340 118.700 -0.076 0.000 2.430 398 N HA 0.428 5.168 4.740 -0.000 0.000 0.298 398 N C -0.877 174.533 175.510 -0.167 0.000 1.130 398 N CA -0.485 52.488 53.050 -0.129 0.000 0.894 398 N CB 1.407 39.810 38.487 -0.140 0.000 1.209 398 N HN 0.388 nan 8.380 nan 0.000 0.503 399 R N 0.903 121.262 120.500 -0.234 0.000 2.265 399 R HA 0.375 4.715 4.340 -0.000 0.000 0.328 399 R C -0.365 175.669 176.300 -0.443 0.000 0.969 399 R CA -0.624 55.231 56.100 -0.408 0.000 0.832 399 R CB 1.406 31.320 30.300 -0.643 0.000 1.139 399 R HN 0.361 nan 8.270 nan 0.000 0.457 400 L N 4.948 125.943 121.223 -0.380 0.000 2.363 400 L HA 0.254 4.594 4.340 -0.000 0.000 0.286 400 L C -0.832 175.910 176.870 -0.213 0.000 1.106 400 L CA -0.115 54.548 54.840 -0.295 0.000 0.859 400 L CB 0.097 41.938 42.059 -0.362 0.000 1.223 400 L HN 0.574 nan 8.230 nan 0.000 0.446 401 Y N 2.167 122.462 120.300 -0.008 0.000 2.330 401 Y HA 0.299 4.849 4.550 -0.000 0.000 0.336 401 Y C 0.860 176.782 175.900 0.037 0.000 1.036 401 Y CA -1.135 56.980 58.100 0.025 0.000 1.125 401 Y CB 1.760 40.252 38.460 0.054 0.000 1.194 401 Y HN 0.637 nan 8.280 nan 0.000 0.469 402 A N 4.440 127.411 122.820 0.252 0.000 3.046 402 A HA 0.134 4.454 4.320 -0.000 0.000 0.259 402 A C -0.125 177.524 177.584 0.108 0.000 1.843 402 A CA 0.221 52.356 52.037 0.164 0.000 1.451 402 A CB -0.827 18.256 19.000 0.137 0.000 1.025 402 A HN 0.806 nan 8.150 nan 0.000 0.625 403 E N 0.097 120.343 120.200 0.077 0.000 2.312 403 E HA 0.272 4.622 4.350 -0.000 0.000 0.267 403 E C -1.459 175.041 176.600 -0.167 0.000 0.894 403 E CA -0.862 55.529 56.400 -0.015 0.000 0.773 403 E CB 1.693 31.416 29.700 0.039 0.000 1.241 403 E HN 0.320 nan 8.360 nan 0.000 0.432 404 D N 2.923 123.201 120.400 -0.203 0.000 2.467 404 D HA 0.197 4.837 4.640 -0.000 0.000 0.220 404 D C -1.961 174.030 176.300 -0.514 0.000 1.103 404 D CA -2.485 51.351 54.000 -0.273 0.000 0.886 404 D CB 1.313 42.057 40.800 -0.094 0.000 1.025 404 D HN 0.035 nan 8.370 nan 0.000 0.514 405 P HA -0.181 nan 4.420 nan 0.000 0.216 405 P C 0.864 177.878 177.300 -0.476 0.000 1.154 405 P CA 1.316 63.657 63.100 -1.265 0.000 0.865 405 P CB -0.031 31.051 31.700 -1.029 0.000 0.789 406 Y N -0.984 119.245 120.300 -0.117 0.000 2.421 406 Y HA -0.075 4.475 4.550 -0.000 0.000 0.292 406 Y C 1.153 177.028 175.900 -0.041 0.000 1.136 406 Y CA 0.645 58.714 58.100 -0.052 0.000 1.255 406 Y CB -0.287 38.136 38.460 -0.063 0.000 0.991 406 Y HN -0.167 nan 8.280 nan 0.000 0.552 407 R N 0.173 120.709 120.500 0.060 0.000 2.868 407 R HA 0.289 4.629 4.340 -0.000 0.000 0.289 407 R C 0.396 176.726 176.300 0.051 0.000 1.443 407 R CA -0.069 56.063 56.100 0.052 0.000 1.651 407 R CB 0.647 30.970 30.300 0.039 0.000 1.242 407 R HN 0.238 nan 8.270 nan 0.000 0.621 408 G N 2.396 111.255 108.800 0.098 0.000 2.395 408 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.292 408 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.292 408 G C 0.270 175.302 174.900 0.220 0.000 0.953 408 G CA 0.318 45.515 45.100 0.161 0.000 1.207 408 G HN 0.571 nan 8.290 nan 0.000 0.503 412 P HA 0.298 nan 4.420 nan 0.000 0.271 412 P C -1.333 175.982 177.300 0.026 0.000 1.233 412 P CA -0.092 63.017 63.100 0.015 0.000 0.789 412 P CB 0.801 32.506 31.700 0.008 0.000 0.951 413 S N 0.706 116.431 115.700 0.041 0.000 2.536 413 S HA 0.731 5.201 4.470 -0.000 0.000 0.298 413 S C -1.124 173.517 174.600 0.068 0.000 1.083 413 S CA -0.557 57.674 58.200 0.051 0.000 0.995 413 S CB 0.175 63.410 63.200 0.059 0.000 1.058 413 S HN 0.266 nan 8.310 nan 0.000 0.488 414 I N 2.818 123.430 120.570 0.069 0.000 2.582 414 I HA 0.870 5.040 4.170 -0.000 0.000 0.292 414 I C 0.089 176.256 176.117 0.083 0.000 1.066 414 I CA 0.573 61.922 61.300 0.082 0.000 1.053 414 I CB 1.555 39.602 38.000 0.080 0.000 1.241 414 I HN 0.949 nan 8.210 nan 0.000 0.421 415 G N 5.434 114.288 108.800 0.090 0.000 2.356 415 G HA2 0.235 4.195 3.960 -0.000 0.000 0.288 415 G HA3 0.235 4.195 3.960 -0.000 0.000 0.288 415 G C -1.715 173.238 174.900 0.088 0.000 1.302 415 G CA -1.115 44.037 45.100 0.086 0.000 0.887 415 G HN 0.664 nan 8.290 nan 0.000 0.521 416 R N -0.637 119.915 120.500 0.086 0.000 2.486 416 R HA 0.704 5.044 4.340 -0.000 0.000 0.286 416 R C -0.213 176.148 176.300 0.101 0.000 0.999 416 R CA -0.723 55.430 56.100 0.089 0.000 0.993 416 R CB 0.771 31.119 30.300 0.080 0.000 1.084 416 R HN 0.384 nan 8.270 nan 0.000 0.487 417 L N 4.423 125.711 121.223 0.110 0.000 2.282 417 L HA 0.188 4.528 4.340 -0.000 0.000 0.287 417 L C 0.945 177.901 176.870 0.143 0.000 1.075 417 L CA -0.358 54.565 54.840 0.138 0.000 0.839 417 L CB 1.345 43.482 42.059 0.130 0.000 1.219 417 L HN 0.908 nan 8.230 nan 0.000 0.434 418 T N 1.298 115.932 114.554 0.133 0.000 2.590 418 T HA -0.030 4.320 4.350 -0.000 0.000 0.257 418 T C 1.088 175.863 174.700 0.124 0.000 1.080 418 T CA 0.921 63.087 62.100 0.110 0.000 1.180 418 T CB 0.068 68.995 68.868 0.099 0.000 0.865 418 T HN 0.328 nan 8.240 nan 0.000 0.403 419 R N 0.754 121.338 120.500 0.139 0.000 2.407 419 R HA 0.397 4.737 4.340 -0.000 0.000 0.303 419 R C -1.722 174.704 176.300 0.209 0.000 0.981 419 R CA -0.439 55.739 56.100 0.130 0.000 0.905 419 R CB 1.087 31.443 30.300 0.094 0.000 1.099 419 R HN 0.412 nan 8.270 nan 0.000 0.459 420 Y N 3.861 124.203 120.300 0.071 0.000 2.317 420 Y HA 0.330 4.880 4.550 -0.000 0.000 0.329 420 Y C -1.157 174.754 175.900 0.019 0.000 1.101 420 Y CA -0.731 57.427 58.100 0.096 0.000 1.228 420 Y CB 0.611 39.146 38.460 0.125 0.000 1.123 420 Y HN 0.443 nan 8.280 nan 0.000 0.457 421 R N 4.446 124.643 120.500 -0.506 0.000 2.725 421 R HA 0.435 4.775 4.340 -0.000 0.000 0.277 421 R C -0.548 175.269 176.300 -0.805 0.000 0.987 421 R CA -0.232 55.575 56.100 -0.488 0.000 0.901 421 R CB 1.750 31.914 30.300 -0.227 0.000 1.207 421 R HN 0.981 nan 8.270 nan 0.000 0.463 429 V N 1.084 121.071 119.914 0.121 0.000 2.612 429 V HA 0.711 4.831 4.120 -0.000 0.000 0.301 429 V C -0.231 175.899 176.094 0.059 0.000 1.059 429 V CA -0.363 61.986 62.300 0.081 0.000 0.886 429 V CB 1.716 33.566 31.823 0.044 0.000 1.007 429 V HN 1.037 nan 8.190 nan 0.000 0.426 430 R N 4.106 124.642 120.500 0.059 0.000 2.561 430 R HA 0.521 4.861 4.340 -0.000 0.000 0.297 430 R C -1.107 175.218 176.300 0.040 0.000 0.969 430 R CA -0.522 55.600 56.100 0.036 0.000 0.879 430 R CB 1.620 31.933 30.300 0.021 0.000 1.178 430 R HN 0.778 nan 8.270 nan 0.000 0.445 431 N N 3.721 122.445 118.700 0.039 0.000 2.531 431 N HA 0.141 4.881 4.740 -0.000 0.000 0.268 431 N C -1.590 173.961 175.510 0.068 0.000 1.023 431 N CA -0.516 52.578 53.050 0.073 0.000 0.896 431 N CB 1.389 39.923 38.487 0.078 0.000 1.233 431 N HN 0.579 nan 8.380 nan 0.000 0.512 432 D N 2.240 122.674 120.400 0.056 0.000 2.313 432 D HA 0.324 4.964 4.640 -0.000 0.000 0.239 432 D C -0.494 175.846 176.300 0.067 0.000 1.142 432 D CA 0.493 54.519 54.000 0.043 0.000 0.847 432 D CB 1.468 42.279 40.800 0.018 0.000 1.082 432 D HN 0.291 nan 8.370 nan 0.000 0.480 433 T N 0.494 115.091 114.554 0.071 0.000 2.909 433 T HA 0.606 4.956 4.350 -0.000 0.000 0.299 433 T C 0.887 175.588 174.700 0.001 0.000 1.073 433 T CA -0.964 61.180 62.100 0.073 0.000 0.999 433 T CB 1.961 70.937 68.868 0.180 0.000 1.098 433 T HN 0.269 nan 8.240 nan 0.000 0.477 434 G N 0.661 109.428 108.800 -0.056 0.000 3.690 434 G HA2 0.507 4.467 3.960 -0.000 0.000 0.283 434 G HA3 0.507 4.467 3.960 -0.000 0.000 0.283 434 G C -0.251 174.528 174.900 -0.201 0.000 1.057 434 G CA -0.064 44.972 45.100 -0.106 0.000 0.821 434 G HN 0.584 nan 8.290 nan 0.000 0.526 435 V N 0.162 119.932 119.914 -0.239 0.000 3.160 435 V HA 0.862 4.982 4.120 -0.000 0.000 0.310 435 V C -1.505 174.372 176.094 -0.363 0.000 1.181 435 V CA -0.967 61.085 62.300 -0.414 0.000 1.047 435 V CB 2.455 34.007 31.823 -0.451 0.000 1.068 435 V HN 0.369 nan 8.190 nan 0.000 0.441 436 Y N 0.151 120.279 120.300 -0.287 0.000 2.689 436 Y HA 0.662 5.212 4.550 -0.000 0.000 0.333 436 Y C -0.516 175.349 175.900 -0.058 0.000 1.190 436 Y CA -2.387 55.650 58.100 -0.105 0.000 1.063 436 Y CB 0.691 39.144 38.460 -0.012 0.000 1.294 436 Y HN 0.716 nan 8.280 nan 0.000 0.466 437 E N 0.396 120.806 120.200 0.349 0.000 2.344 437 E HA 0.428 4.778 4.350 -0.000 0.000 0.270 437 E C 0.810 177.443 176.600 0.055 0.000 1.021 437 E CA 1.052 57.587 56.400 0.226 0.000 0.887 437 E CB 0.039 29.844 29.700 0.176 0.000 0.997 437 E HN 1.107 nan 8.360 nan 0.000 0.429 438 G N 2.871 111.729 108.800 0.097 0.000 2.232 438 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.226 438 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.226 438 G C 0.537 175.526 174.900 0.149 0.000 0.996 438 G CA -0.173 44.949 45.100 0.036 0.000 0.626 438 G HN 0.873 nan 8.290 nan 0.000 0.509 439 G N -0.307 108.717 108.800 0.374 0.000 2.621 439 G HA2 0.535 4.495 3.960 -0.000 0.000 0.271 439 G HA3 0.535 4.495 3.960 -0.000 0.000 0.271 439 G C -0.280 174.710 174.900 0.151 0.000 1.236 439 G CA 0.605 45.949 45.100 0.407 0.000 0.958 439 G HN 0.612 nan 8.290 nan 0.000 0.512 440 E N -1.497 118.753 120.200 0.085 0.000 2.343 440 E HA 0.477 4.827 4.350 -0.000 0.000 0.270 440 E C -0.989 175.645 176.600 0.056 0.000 0.895 440 E CA -0.775 55.668 56.400 0.072 0.000 0.767 440 E CB 2.044 31.793 29.700 0.083 0.000 1.248 440 E HN 0.274 nan 8.360 nan 0.000 0.440 441 I N 3.525 124.142 120.570 0.077 0.000 2.337 441 I HA 0.167 4.337 4.170 -0.000 0.000 0.285 441 I C -0.249 175.954 176.117 0.144 0.000 1.041 441 I CA -0.367 60.991 61.300 0.097 0.000 1.199 441 I CB 1.056 39.109 38.000 0.088 0.000 1.370 441 I HN 0.408 nan 8.210 nan 0.000 0.470 442 S N 5.265 121.088 115.700 0.205 0.000 2.584 442 S HA 0.270 4.740 4.470 -0.000 0.000 0.273 442 S C 1.163 175.954 174.600 0.319 0.000 1.311 442 S CA -0.897 57.472 58.200 0.283 0.000 1.034 442 S CB 1.340 64.742 63.200 0.338 0.000 0.939 442 S HN 0.723 nan 8.310 nan 0.000 0.513 443 M N -0.103 119.676 119.600 0.298 0.000 2.346 443 M HA -0.036 4.444 4.480 -0.000 0.000 0.263 443 M C 0.349 176.651 176.300 0.004 0.000 1.064 443 M CA 1.420 56.793 55.300 0.121 0.000 1.083 443 M CB -1.098 31.514 32.600 0.021 0.000 1.399 443 M HN 0.686 nan 8.290 nan 0.000 0.435 444 Y N -0.153 120.124 120.300 -0.040 0.000 2.542 444 Y HA 0.212 4.762 4.550 -0.000 0.000 0.326 444 Y C -0.426 174.999 175.900 -0.791 0.000 1.218 444 Y CA -0.148 57.749 58.100 -0.338 0.000 1.277 444 Y CB -1.149 37.094 38.460 -0.362 0.000 1.064 444 Y HN 0.227 nan 8.280 nan 0.000 0.499 445 Y N -2.589 117.816 120.300 0.175 0.000 2.914 445 Y HA 0.202 4.752 4.550 -0.000 0.000 0.327 445 Y C -0.695 175.248 175.900 0.072 0.000 1.440 445 Y CA -2.393 55.785 58.100 0.129 0.000 1.086 445 Y CB 0.300 38.831 38.460 0.118 0.000 1.544 445 Y HN -0.318 nan 8.280 nan 0.000 0.442 446 D N 3.169 123.719 120.400 0.250 0.000 2.383 446 D HA 0.188 4.828 4.640 -0.000 0.000 0.252 446 D C -1.551 174.840 176.300 0.152 0.000 1.166 446 D CA -1.778 52.307 54.000 0.142 0.000 0.879 446 D CB 0.983 41.855 40.800 0.121 0.000 1.164 446 D HN 0.180 nan 8.370 nan 0.000 0.462 447 P HA -0.139 nan 4.420 nan 0.000 0.234 447 P C 0.387 177.884 177.300 0.328 0.000 1.162 447 P CA 0.413 63.599 63.100 0.142 0.000 0.759 447 P CB -0.064 31.648 31.700 0.020 0.000 0.813 448 M N 1.099 120.947 119.600 0.413 0.000 2.188 448 M HA 0.149 4.629 4.480 -0.000 0.000 0.354 448 M C 1.374 177.746 176.300 0.119 0.000 1.342 448 M CA -0.082 55.434 55.300 0.359 0.000 1.117 448 M CB 0.531 33.301 32.600 0.283 0.000 1.670 448 M HN -0.127 nan 8.290 nan 0.000 0.466 449 I N 2.271 122.868 120.570 0.046 0.000 3.790 449 I HA 0.615 4.785 4.170 -0.000 0.000 0.305 449 I C 0.189 176.317 176.117 0.018 0.000 1.253 449 I CA 0.162 61.467 61.300 0.009 0.000 1.355 449 I CB 0.426 38.442 38.000 0.026 0.000 1.137 449 I HN 0.667 nan 8.210 nan 0.000 0.435 450 A N 0.781 123.592 122.820 -0.014 0.000 2.586 450 A HA 0.663 4.983 4.320 -0.000 0.000 0.291 450 A C -1.530 176.016 177.584 -0.065 0.000 1.062 450 A CA -0.757 51.299 52.037 0.030 0.000 0.666 450 A CB 1.119 20.246 19.000 0.212 0.000 1.281 450 A HN 0.146 nan 8.150 nan 0.000 0.421 451 K N 0.432 120.823 120.400 -0.015 0.000 2.394 451 K HA 0.540 4.860 4.320 -0.000 0.000 0.260 451 K C -1.451 175.153 176.600 0.006 0.000 0.967 451 K CA -0.451 55.804 56.287 -0.054 0.000 0.855 451 K CB 1.733 34.202 32.500 -0.051 0.000 1.101 451 K HN 0.463 nan 8.250 nan 0.000 0.433 452 L N 5.428 126.648 121.223 -0.005 0.000 2.287 452 L HA 0.348 4.688 4.340 -0.000 0.000 0.280 452 L C -1.204 175.685 176.870 0.033 0.000 1.055 452 L CA -0.327 54.547 54.840 0.058 0.000 0.863 452 L CB 0.053 42.158 42.059 0.077 0.000 1.245 452 L HN 0.678 nan 8.230 nan 0.000 0.432 453 C N 2.572 121.895 119.300 0.038 0.000 2.358 453 C HA 0.922 5.382 4.460 -0.000 0.000 0.342 453 C C 0.750 175.792 174.990 0.086 0.000 1.234 453 C CA -0.433 58.612 59.018 0.045 0.000 1.969 453 C CB 0.903 28.650 27.740 0.012 0.000 2.346 453 C HN 0.874 nan 8.230 nan 0.000 0.525 454 T N -0.427 114.200 114.554 0.122 0.000 2.864 454 T HA 0.869 5.219 4.350 -0.000 0.000 0.289 454 T C -1.115 173.750 174.700 0.275 0.000 1.082 454 T CA -0.495 61.702 62.100 0.162 0.000 1.009 454 T CB 2.139 71.074 68.868 0.111 0.000 1.234 454 T HN 1.190 nan 8.240 nan 0.000 0.526 455 W N 0.434 121.765 121.300 0.052 0.000 3.064 455 W HA 0.626 5.286 4.660 0.000 0.000 0.328 455 W C -2.188 174.371 176.519 0.066 0.000 1.210 455 W CA -0.503 56.882 57.345 0.067 0.000 1.178 455 W CB 0.667 30.148 29.460 0.035 0.000 1.416 455 W HN 1.314 nan 8.180 nan 0.000 0.568 456 A N 2.410 124.243 122.820 -1.646 0.000 3.287 456 A HA 0.685 5.005 4.320 -0.000 0.000 0.299 456 A C -2.702 174.031 177.584 -1.418 0.000 1.086 456 A CA -0.092 51.065 52.037 -1.466 0.000 0.586 456 A CB 0.639 19.303 19.000 -0.560 0.000 1.539 456 A HN 0.294 nan 8.150 nan 0.000 0.694 457 P HA 0.108 nan 4.420 nan 0.000 0.211 457 P C 0.851 178.054 177.300 -0.161 0.000 1.183 457 P CA 2.053 64.943 63.100 -0.350 0.000 0.901 457 P CB -0.511 31.084 31.700 -0.175 0.000 0.762 458 T N -2.597 111.877 114.554 -0.135 0.000 2.849 458 T HA 0.245 4.595 4.350 -0.000 0.000 0.284 458 T C 1.329 175.933 174.700 -0.160 0.000 1.004 458 T CA -0.601 61.436 62.100 -0.105 0.000 1.021 458 T CB 1.579 70.368 68.868 -0.132 0.000 1.013 458 T HN -0.016 nan 8.240 nan 0.000 0.527 459 R N 0.634 120.890 120.500 -0.406 0.000 2.073 459 R HA -0.008 4.332 4.340 -0.000 0.000 0.229 459 R C 2.538 178.621 176.300 -0.361 0.000 1.120 459 R CA 1.211 56.949 56.100 -0.602 0.000 0.967 459 R CB -0.991 28.356 30.300 -1.588 0.000 0.862 459 R HN 0.841 nan 8.270 nan 0.000 0.436 460 A N 0.964 123.586 122.820 -0.331 0.000 1.986 460 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 460 A C 2.288 179.781 177.584 -0.152 0.000 1.171 460 A CA 1.789 53.690 52.037 -0.226 0.000 0.640 460 A CB -0.650 18.238 19.000 -0.187 0.000 0.811 460 A HN 0.568 nan 8.150 nan 0.000 0.451 461 A N -0.017 122.712 122.820 -0.153 0.000 1.835 461 A HA 0.149 4.469 4.320 -0.000 0.000 0.215 461 A C 2.572 180.095 177.584 -0.101 0.000 1.199 461 A CA 2.300 54.259 52.037 -0.130 0.000 0.615 461 A CB -1.330 17.568 19.000 -0.170 0.000 0.838 461 A HN 1.195 nan 8.150 nan 0.000 0.444 462 A N -0.246 122.517 122.820 -0.095 0.000 1.948 462 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 462 A C 1.951 179.552 177.584 0.028 0.000 1.177 462 A CA 1.801 53.827 52.037 -0.019 0.000 0.636 462 A CB -0.604 18.442 19.000 0.076 0.000 0.815 462 A HN 0.456 nan 8.150 nan 0.000 0.449 463 I N -0.338 120.236 120.570 0.006 0.000 2.493 463 I HA -0.160 4.010 4.170 -0.000 0.000 0.254 463 I C 2.327 178.467 176.117 0.038 0.000 1.160 463 I CA 1.762 63.097 61.300 0.059 0.000 1.445 463 I CB -1.270 36.736 38.000 0.009 0.000 1.086 463 I HN 0.418 nan 8.210 nan 0.000 0.433 464 E N 1.612 121.808 120.200 -0.006 0.000 2.016 464 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 464 E C 2.296 178.897 176.600 0.003 0.000 0.985 464 E CA 1.602 57.998 56.400 -0.007 0.000 0.802 464 E CB -0.264 29.418 29.700 -0.030 0.000 0.762 464 E HN 0.307 nan 8.360 nan 0.000 0.448 465 A N 0.534 123.351 122.820 -0.005 0.000 1.927 465 A HA -0.283 4.037 4.320 -0.000 0.000 0.220 465 A C 2.262 179.862 177.584 0.027 0.000 1.185 465 A CA 2.502 54.543 52.037 0.006 0.000 0.639 465 A CB -0.760 18.242 19.000 0.004 0.000 0.820 465 A HN 0.448 nan 8.150 nan 0.000 0.451 466 M N -1.101 118.523 119.600 0.039 0.000 2.067 466 M HA -0.078 4.402 4.480 -0.000 0.000 0.260 466 M C 2.095 178.416 176.300 0.035 0.000 1.069 466 M CA 1.740 57.068 55.300 0.046 0.000 1.117 466 M CB -0.430 32.206 32.600 0.059 0.000 1.334 466 M HN 0.292 nan 8.290 nan 0.000 0.407 467 R N 0.643 121.163 120.500 0.034 0.000 2.091 467 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 467 R C 2.044 178.358 176.300 0.023 0.000 1.136 467 R CA 2.084 58.200 56.100 0.027 0.000 0.959 467 R CB -1.186 29.132 30.300 0.030 0.000 0.856 467 R HN 0.630 nan 8.270 nan 0.000 0.437 468 I N 0.100 120.682 120.570 0.019 0.000 2.142 468 I HA -0.235 3.935 4.170 -0.000 0.000 0.240 468 I C 2.562 178.692 176.117 0.022 0.000 1.078 468 I CA 1.301 62.609 61.300 0.014 0.000 1.343 468 I CB -0.823 37.180 38.000 0.006 0.000 1.046 468 I HN 0.061 nan 8.210 nan 0.000 0.405 469 A N 1.953 124.790 122.820 0.030 0.000 1.882 469 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 469 A C 2.366 179.997 177.584 0.078 0.000 1.253 469 A CA 2.198 54.262 52.037 0.044 0.000 0.664 469 A CB -1.306 17.729 19.000 0.059 0.000 0.838 469 A HN 0.420 nan 8.150 nan 0.000 0.460 470 L N -0.749 120.524 121.223 0.083 0.000 1.997 470 L HA -0.283 4.056 4.340 -0.000 0.000 0.216 470 L C 2.327 179.256 176.870 0.098 0.000 1.074 470 L CA 1.864 56.763 54.840 0.098 0.000 0.763 470 L CB -0.939 41.139 42.059 0.031 0.000 0.890 470 L HN 0.411 nan 8.230 nan 0.000 0.434 471 D N -0.431 120.004 120.400 0.058 0.000 2.254 471 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 471 D C 2.072 178.399 176.300 0.045 0.000 0.998 471 D CA 1.690 55.718 54.000 0.045 0.000 0.885 471 D CB 0.026 40.840 40.800 0.023 0.000 0.915 471 D HN 0.293 nan 8.370 nan 0.000 0.460 472 S N -0.840 114.884 115.700 0.041 0.000 2.524 472 S HA 0.085 4.555 4.470 -0.000 0.000 0.215 472 S C 0.465 175.062 174.600 -0.007 0.000 0.986 472 S CA -0.585 57.618 58.200 0.005 0.000 0.911 472 S CB 0.365 63.547 63.200 -0.030 0.000 0.805 472 S HN 0.181 nan 8.310 nan 0.000 0.501 473 F N 3.618 123.522 119.950 -0.078 0.000 2.494 473 F HA 0.117 4.644 4.527 -0.000 0.000 0.369 473 F C 0.382 176.103 175.800 -0.132 0.000 1.098 473 F CA -0.230 57.693 58.000 -0.128 0.000 1.154 473 F CB 0.310 39.233 39.000 -0.129 0.000 1.103 473 F HN 0.065 nan 8.300 nan 0.000 0.549 474 E N 4.898 125.155 120.200 0.094 0.000 2.134 474 E HA 0.449 4.799 4.350 -0.000 0.000 0.278 474 E C -1.106 175.559 176.600 0.108 0.000 0.959 474 E CA -0.708 55.738 56.400 0.077 0.000 0.783 474 E CB 2.377 32.074 29.700 -0.005 0.000 1.095 474 E HN 0.278 nan 8.360 nan 0.000 0.399 475 V N 3.771 123.735 119.914 0.082 0.000 2.612 475 V HA 0.260 4.380 4.120 -0.000 0.000 0.301 475 V C -0.703 175.500 176.094 0.182 0.000 1.059 475 V CA -0.730 61.622 62.300 0.087 0.000 0.886 475 V CB 1.929 33.623 31.823 -0.214 0.000 1.007 475 V HN 0.591 nan 8.190 nan 0.000 0.426 476 E N 2.271 122.592 120.200 0.201 0.000 2.293 476 E HA 0.742 5.092 4.350 -0.000 0.000 0.270 476 E C 0.692 177.398 176.600 0.178 0.000 0.879 476 E CA 0.235 56.750 56.400 0.192 0.000 0.756 476 E CB 2.015 31.801 29.700 0.144 0.000 1.208 476 E HN 0.895 nan 8.360 nan 0.000 0.428 477 G N 1.696 110.591 108.800 0.158 0.000 2.278 477 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.210 477 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.210 477 G C 0.237 175.215 174.900 0.129 0.000 1.000 477 G CA 0.169 45.347 45.100 0.130 0.000 0.635 477 G HN 0.500 nan 8.290 nan 0.000 0.495 478 I N -1.657 119.013 120.570 0.166 0.000 3.074 478 I HA 0.846 5.016 4.170 -0.000 0.000 0.310 478 I C 0.445 176.654 176.117 0.153 0.000 1.153 478 I CA -1.055 60.334 61.300 0.148 0.000 0.993 478 I CB 1.772 39.867 38.000 0.158 0.000 1.237 478 I HN 0.278 nan 8.210 nan 0.000 0.443 479 G N 1.782 110.629 108.800 0.078 0.000 2.395 479 G HA2 0.601 4.561 3.960 -0.000 0.000 0.283 479 G HA3 0.601 4.561 3.960 -0.000 0.000 0.283 479 G C -0.701 174.205 174.900 0.010 0.000 1.178 479 G CA -0.222 44.862 45.100 -0.025 0.000 0.837 479 G HN 1.023 nan 8.290 nan 0.000 0.518 480 H N -0.064 119.008 119.070 0.003 0.000 3.017 480 H HA 0.267 4.823 4.556 -0.000 0.000 0.346 480 H C -0.292 174.974 175.328 -0.103 0.000 1.286 480 H CA -0.850 55.180 56.048 -0.030 0.000 1.120 480 H CB 1.468 31.224 29.762 -0.011 0.000 1.860 480 H HN 0.458 nan 8.280 nan 0.000 0.542 481 N N 0.760 119.496 118.700 0.060 0.000 2.383 481 N HA -0.046 4.694 4.740 -0.000 0.000 0.192 481 N C 1.213 176.745 175.510 0.037 0.000 1.141 481 N CA -0.216 52.805 53.050 -0.049 0.000 0.851 481 N CB 0.014 38.537 38.487 0.060 0.000 0.976 481 N HN 0.448 nan 8.380 nan 0.000 0.465 482 L N 1.785 123.133 121.223 0.209 0.000 2.010 482 L HA -0.154 4.186 4.340 -0.000 0.000 0.219 482 L C -0.497 176.391 176.870 0.030 0.000 1.077 482 L CA 2.397 57.288 54.840 0.086 0.000 0.773 482 L CB -1.335 40.780 42.059 0.094 0.000 0.892 482 L HN 0.176 nan 8.230 nan 0.000 0.436 483 P HA -0.249 nan 4.420 nan 0.000 0.216 483 P C 1.850 179.015 177.300 -0.225 0.000 1.150 483 P CA 1.610 64.750 63.100 0.068 0.000 0.837 483 P CB -0.330 31.547 31.700 0.295 0.000 0.786 484 F N 1.290 120.832 119.950 -0.680 0.000 2.075 484 F HA -0.170 4.357 4.527 -0.000 0.000 0.297 484 F C 2.308 177.771 175.800 -0.561 0.000 1.113 484 F CA 1.333 58.667 58.000 -1.110 0.000 1.218 484 F CB -1.264 37.196 39.000 -0.899 0.000 0.984 484 F HN -0.299 nan 8.300 nan 0.000 0.472 485 L N -0.510 120.430 121.223 -0.471 0.000 1.956 485 L HA -0.308 4.032 4.340 -0.000 0.000 0.216 485 L C 2.623 179.262 176.870 -0.386 0.000 1.073 485 L CA 1.780 56.343 54.840 -0.462 0.000 0.762 485 L CB -1.447 40.468 42.059 -0.240 0.000 0.889 485 L HN 0.091 nan 8.230 nan 0.000 0.433 486 S N -0.263 115.303 115.700 -0.223 0.000 2.389 486 S HA -0.331 4.139 4.470 -0.000 0.000 0.231 486 S C 2.120 176.656 174.600 -0.106 0.000 1.052 486 S CA 1.619 59.752 58.200 -0.112 0.000 1.053 486 S CB -0.454 62.733 63.200 -0.021 0.000 0.886 486 S HN 0.541 nan 8.310 nan 0.000 0.456 487 A N 0.872 123.586 122.820 -0.177 0.000 1.883 487 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 487 A C 2.477 180.068 177.584 0.013 0.000 1.186 487 A CA 2.051 54.063 52.037 -0.042 0.000 0.624 487 A CB -1.129 17.828 19.000 -0.072 0.000 0.822 487 A HN 0.675 nan 8.150 nan 0.000 0.444 488 V N -2.260 117.522 119.914 -0.219 0.000 2.453 488 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 488 V C 2.144 178.196 176.094 -0.070 0.000 1.048 488 V CA 2.119 64.385 62.300 -0.058 0.000 1.049 488 V CB -0.752 30.875 31.823 -0.327 0.000 0.672 488 V HN 0.428 nan 8.190 nan 0.000 0.457 489 M N 0.705 120.192 119.600 -0.188 0.000 2.267 489 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 489 M C 1.473 177.904 176.300 0.218 0.000 1.063 489 M CA 1.765 57.059 55.300 -0.010 0.000 1.090 489 M CB -1.333 31.252 32.600 -0.025 0.000 1.392 489 M HN 0.467 nan 8.290 nan 0.000 0.422 490 D N -1.575 118.919 120.400 0.158 0.000 2.360 490 D HA -0.002 4.638 4.640 -0.000 0.000 0.210 490 D C 0.592 177.025 176.300 0.221 0.000 1.047 490 D CA 0.247 54.345 54.000 0.163 0.000 0.854 490 D CB -0.100 40.765 40.800 0.109 0.000 0.936 490 D HN 0.202 nan 8.370 nan 0.000 0.514 491 H N 2.135 121.329 119.070 0.207 0.000 2.955 491 H HA 0.039 4.595 4.556 -0.000 0.000 0.290 491 H C -1.461 174.011 175.328 0.240 0.000 1.047 491 H CA -1.638 54.558 56.048 0.247 0.000 1.484 491 H CB 1.309 31.298 29.762 0.379 0.000 1.501 491 H HN -0.066 nan 8.280 nan 0.000 0.521 492 P HA -0.267 nan 4.420 nan 0.000 0.217 492 P C 1.257 178.767 177.300 0.350 0.000 1.162 492 P CA 1.636 64.899 63.100 0.272 0.000 0.901 492 P CB 0.404 32.178 31.700 0.124 0.000 0.793 493 K N -1.446 119.306 120.400 0.587 0.000 2.160 493 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 493 K C 2.191 178.882 176.600 0.152 0.000 1.047 493 K CA 1.245 57.732 56.287 0.334 0.000 0.930 493 K CB -0.568 32.180 32.500 0.413 0.000 0.720 493 K HN 0.186 nan 8.250 nan 0.000 0.450 494 F N 1.108 121.065 119.950 0.013 0.000 2.206 494 F HA -0.080 4.447 4.527 0.000 0.000 0.298 494 F C 1.752 177.498 175.800 -0.089 0.000 1.090 494 F CA 0.874 58.764 58.000 -0.184 0.000 1.323 494 F CB 0.093 38.986 39.000 -0.178 0.000 1.028 494 F HN -0.120 nan 8.300 nan 0.000 0.492 495 I N 0.166 120.652 120.570 -0.140 0.000 2.315 495 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 495 I C 2.450 178.430 176.117 -0.229 0.000 1.117 495 I CA 1.359 62.520 61.300 -0.231 0.000 1.404 495 I CB -0.755 37.223 38.000 -0.037 0.000 1.071 495 I HN 0.233 nan 8.210 nan 0.000 0.419 496 S N 0.269 115.899 115.700 -0.116 0.000 2.496 496 S HA 0.156 4.626 4.470 -0.000 0.000 0.224 496 S C 1.857 176.386 174.600 -0.118 0.000 0.996 496 S CA 0.538 58.685 58.200 -0.088 0.000 0.927 496 S CB 0.231 63.427 63.200 -0.006 0.000 0.774 496 S HN 0.611 nan 8.310 nan 0.000 0.524 497 G N 1.397 110.090 108.800 -0.177 0.000 2.253 497 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.251 497 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.251 497 G C -0.015 174.856 174.900 -0.047 0.000 0.998 497 G CA 0.204 45.210 45.100 -0.157 0.000 0.621 497 G HN 0.657 nan 8.290 nan 0.000 0.524 498 D N 1.857 122.255 120.400 -0.003 0.000 2.489 498 D HA 0.461 5.101 4.640 -0.000 0.000 0.237 498 D C 1.105 177.432 176.300 0.046 0.000 1.212 498 D CA 0.336 54.358 54.000 0.037 0.000 1.058 498 D CB -0.663 40.177 40.800 0.066 0.000 1.098 498 D HN 0.618 nan 8.370 nan 0.000 0.509 499 M N 0.550 120.149 119.600 -0.002 0.000 2.518 499 M HA 0.562 5.042 4.480 -0.000 0.000 0.300 499 M C -0.353 175.957 176.300 0.016 0.000 1.175 499 M CA -0.875 54.440 55.300 0.024 0.000 0.890 499 M CB 2.102 34.600 32.600 -0.170 0.000 1.710 499 M HN 0.031 nan 8.290 nan 0.000 0.453 500 T N -2.547 112.070 114.554 0.105 0.000 2.797 500 T HA 0.516 4.866 4.350 -0.000 0.000 0.267 500 T C 0.932 175.694 174.700 0.103 0.000 0.986 500 T CA 0.123 62.264 62.100 0.068 0.000 0.999 500 T CB 0.946 69.864 68.868 0.083 0.000 1.508 500 T HN 0.808 nan 8.240 nan 0.000 0.595 501 T N -2.733 111.873 114.554 0.087 0.000 3.086 501 T HA 0.469 4.819 4.350 -0.000 0.000 0.250 501 T C 1.349 176.112 174.700 0.105 0.000 1.074 501 T CA 0.110 62.267 62.100 0.095 0.000 0.988 501 T CB -0.262 68.656 68.868 0.083 0.000 0.988 501 T HN 0.789 nan 8.240 nan 0.000 0.530 502 A N -0.068 122.823 122.820 0.118 0.000 2.431 502 A HA 0.498 4.818 4.320 -0.000 0.000 0.239 502 A C 1.263 178.911 177.584 0.108 0.000 1.230 502 A CA -0.554 51.540 52.037 0.095 0.000 0.928 502 A CB -0.698 18.344 19.000 0.070 0.000 1.006 502 A HN 0.423 nan 8.150 nan 0.000 0.520 503 F N 0.879 120.841 119.950 0.020 0.000 2.045 503 F HA -0.328 4.199 4.527 -0.000 0.000 0.297 503 F C 1.719 177.547 175.800 0.045 0.000 1.114 503 F CA 2.510 60.514 58.000 0.008 0.000 1.207 503 F CB -0.238 38.757 39.000 -0.008 0.000 0.964 503 F HN 0.265 nan 8.300 nan 0.000 0.486 504 I N 0.868 121.553 120.570 0.193 0.000 2.151 504 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 504 I C 2.389 178.550 176.117 0.074 0.000 1.080 504 I CA 1.902 63.318 61.300 0.193 0.000 1.339 504 I CB -1.155 36.990 38.000 0.241 0.000 1.039 504 I HN 0.268 nan 8.210 nan 0.000 0.409 505 A N -0.596 122.241 122.820 0.029 0.000 1.929 505 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 505 A C 2.236 179.805 177.584 -0.026 0.000 1.176 505 A CA 1.682 53.724 52.037 0.010 0.000 0.628 505 A CB -0.659 18.350 19.000 0.014 0.000 0.816 505 A HN 0.572 nan 8.150 nan 0.000 0.444 506 E N -0.425 119.727 120.200 -0.079 0.000 2.028 506 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 506 E C 1.940 178.431 176.600 -0.182 0.000 0.984 506 E CA 1.074 57.410 56.400 -0.106 0.000 0.800 506 E CB -0.087 29.553 29.700 -0.100 0.000 0.758 506 E HN 0.473 nan 8.360 nan 0.000 0.448 507 E N -0.082 119.893 120.200 -0.374 0.000 2.152 507 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 507 E C 0.248 176.490 176.600 -0.596 0.000 0.983 507 E CA 0.994 57.071 56.400 -0.538 0.000 0.818 507 E CB 0.048 29.164 29.700 -0.973 0.000 0.758 507 E HN 0.391 nan 8.360 nan 0.000 0.467 508 Y N 0.630 120.914 120.300 -0.027 0.000 2.495 508 Y HA 0.200 4.750 4.550 0.000 0.000 0.362 508 Y C -1.533 174.388 175.900 0.035 0.000 0.956 508 Y CA -1.617 56.531 58.100 0.081 0.000 1.127 508 Y CB 1.111 39.688 38.460 0.196 0.000 1.173 508 Y HN 0.000 nan 8.280 nan 0.000 0.639 509 P HA -0.132 nan 4.420 nan 0.000 0.223 509 P C 0.283 177.627 177.300 0.073 0.000 1.151 509 P CA 1.419 64.552 63.100 0.055 0.000 0.787 509 P CB 0.630 32.343 31.700 0.021 0.000 0.788 510 E N 0.212 120.477 120.200 0.108 0.000 2.499 510 E HA 0.335 4.685 4.350 -0.000 0.000 0.207 510 E C 1.189 177.877 176.600 0.146 0.000 1.034 510 E CA -0.010 56.452 56.400 0.104 0.000 1.098 510 E CB 0.052 29.805 29.700 0.088 0.000 1.148 510 E HN 0.233 nan 8.360 nan 0.000 0.447 511 G N 1.893 110.797 108.800 0.172 0.000 2.642 511 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.231 511 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.231 511 G C -0.701 174.413 174.900 0.356 0.000 1.338 511 G CA -0.436 44.790 45.100 0.210 0.000 0.883 511 G HN 0.262 nan 8.290 nan 0.000 0.570 512 F N 2.473 122.506 119.950 0.138 0.000 2.377 512 F HA 0.525 5.052 4.527 -0.000 0.000 0.360 512 F C 1.415 177.314 175.800 0.165 0.000 1.147 512 F CA -0.828 57.254 58.000 0.136 0.000 1.170 512 F CB 0.195 39.150 39.000 -0.076 0.000 1.339 512 F HN 0.462 nan 8.300 nan 0.000 0.552 513 E N 4.445 124.693 120.200 0.081 0.000 2.405 513 E HA 0.201 4.551 4.350 -0.000 0.000 0.194 513 E C 1.149 177.545 176.600 -0.339 0.000 1.149 513 E CA 0.361 56.712 56.400 -0.082 0.000 0.933 513 E CB -0.522 29.215 29.700 0.062 0.000 1.028 513 E HN 0.960 nan 8.360 nan 0.000 0.487 514 G N 0.114 108.233 108.800 -1.136 0.000 2.860 514 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.553 514 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.553 514 G C -0.392 174.336 174.900 -0.287 0.000 1.439 514 G CA -0.570 43.996 45.100 -0.890 0.000 0.879 514 G HN 0.127 nan 8.290 nan 0.000 0.545 515 V N 2.005 121.941 119.914 0.037 0.000 2.769 515 V HA 0.795 4.915 4.120 -0.000 0.000 0.312 515 V C -0.078 176.082 176.094 0.109 0.000 1.061 515 V CA -0.346 62.065 62.300 0.185 0.000 0.931 515 V CB 2.025 34.033 31.823 0.310 0.000 1.010 515 V HN 1.333 nan 8.190 nan 0.000 0.433 516 N N 3.708 122.464 118.700 0.093 0.000 2.371 516 N HA 0.318 5.058 4.740 -0.000 0.000 0.291 516 N C -1.392 174.157 175.510 0.065 0.000 1.053 516 N CA -0.666 52.426 53.050 0.069 0.000 0.870 516 N CB 1.794 40.311 38.487 0.051 0.000 1.503 516 N HN 0.325 nan 8.380 nan 0.000 0.485 517 L N 1.536 122.796 121.223 0.060 0.000 2.461 517 L HA 0.380 4.720 4.340 -0.000 0.000 0.272 517 L C -1.973 174.926 176.870 0.047 0.000 1.197 517 L CA -1.153 53.716 54.840 0.049 0.000 0.836 517 L CB -0.752 41.329 42.059 0.037 0.000 1.105 517 L HN 0.444 nan 8.230 nan 0.000 0.477 518 P HA 0.212 nan 4.420 nan 0.000 0.288 518 P C 0.536 177.855 177.300 0.031 0.000 1.267 518 P CA -0.540 62.578 63.100 0.031 0.000 0.815 518 P CB 1.090 32.800 31.700 0.018 0.000 0.989 519 E N 2.230 122.460 120.200 0.051 0.000 2.170 519 E HA -0.334 4.016 4.350 -0.000 0.000 0.229 519 E C 1.290 177.889 176.600 -0.003 0.000 1.074 519 E CA 3.298 59.740 56.400 0.070 0.000 0.930 519 E CB -1.215 28.524 29.700 0.066 0.000 0.806 519 E HN 0.563 nan 8.360 nan 0.000 0.478 520 T N -1.532 113.004 114.554 -0.031 0.000 2.946 520 T HA -0.139 4.211 4.350 -0.000 0.000 0.271 520 T C 1.207 175.858 174.700 -0.081 0.000 1.104 520 T CA 1.328 63.383 62.100 -0.075 0.000 1.114 520 T CB -0.188 68.646 68.868 -0.057 0.000 0.867 520 T HN 0.136 nan 8.240 nan 0.000 0.513 521 D N 0.939 121.308 120.400 -0.052 0.000 2.290 521 D HA 0.206 4.846 4.640 -0.000 0.000 0.224 521 D C 2.244 178.497 176.300 -0.079 0.000 0.967 521 D CA 0.311 54.282 54.000 -0.050 0.000 0.893 521 D CB -0.285 40.505 40.800 -0.016 0.000 1.037 521 D HN 0.284 nan 8.370 nan 0.000 0.477 522 L N 0.712 121.896 121.223 -0.064 0.000 2.013 522 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 522 L C 2.655 179.323 176.870 -0.337 0.000 1.073 522 L CA 1.294 56.065 54.840 -0.115 0.000 0.753 522 L CB -0.381 41.696 42.059 0.031 0.000 0.890 522 L HN 0.005 nan 8.230 nan 0.000 0.432 523 R N -0.222 120.036 120.500 -0.403 0.000 2.112 523 R HA -0.224 4.116 4.340 -0.000 0.000 0.242 523 R C 2.488 178.657 176.300 -0.219 0.000 1.137 523 R CA 1.962 57.762 56.100 -0.500 0.000 0.944 523 R CB -0.234 29.780 30.300 -0.477 0.000 0.857 523 R HN 0.246 nan 8.270 nan 0.000 0.435 524 R N -0.429 119.979 120.500 -0.153 0.000 2.083 524 R HA -0.136 4.204 4.340 -0.000 0.000 0.237 524 R C 2.292 178.556 176.300 -0.060 0.000 1.137 524 R CA 1.604 57.663 56.100 -0.069 0.000 0.951 524 R CB -0.451 29.809 30.300 -0.067 0.000 0.851 524 R HN 0.093 nan 8.270 nan 0.000 0.434 525 V N 0.699 120.557 119.914 -0.094 0.000 2.255 525 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 525 V C 2.361 178.403 176.094 -0.087 0.000 1.051 525 V CA 2.023 64.267 62.300 -0.093 0.000 1.018 525 V CB -0.741 31.034 31.823 -0.081 0.000 0.641 525 V HN 0.502 nan 8.190 nan 0.000 0.445 526 A N -0.043 122.703 122.820 -0.123 0.000 1.884 526 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 526 A C 2.433 179.990 177.584 -0.046 0.000 1.197 526 A CA 2.756 54.736 52.037 -0.095 0.000 0.637 526 A CB -1.060 17.783 19.000 -0.262 0.000 0.827 526 A HN 0.659 nan 8.150 nan 0.000 0.450 527 A N -0.514 122.318 122.820 0.020 0.000 1.908 527 A HA 0.112 4.432 4.320 -0.000 0.000 0.218 527 A C 2.526 180.083 177.584 -0.046 0.000 1.181 527 A CA 2.433 54.472 52.037 0.003 0.000 0.627 527 A CB -1.045 18.053 19.000 0.163 0.000 0.818 527 A HN 1.171 nan 8.150 nan 0.000 0.445 528 A N -0.274 122.509 122.820 -0.062 0.000 1.873 528 A HA 0.214 4.534 4.320 -0.000 0.000 0.215 528 A C 2.538 180.032 177.584 -0.150 0.000 1.186 528 A CA 2.027 53.995 52.037 -0.116 0.000 0.616 528 A CB -1.098 17.812 19.000 -0.150 0.000 0.823 528 A HN 1.070 nan 8.150 nan 0.000 0.442 529 A N 0.008 122.761 122.820 -0.112 0.000 1.883 529 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 529 A C 2.530 180.178 177.584 0.107 0.000 1.186 529 A CA 2.341 54.386 52.037 0.013 0.000 0.624 529 A CB -1.129 17.955 19.000 0.140 0.000 0.822 529 A HN 1.090 nan 8.150 nan 0.000 0.444 530 A N -0.165 122.644 122.820 -0.018 0.000 1.883 530 A HA 0.109 4.429 4.320 -0.000 0.000 0.217 530 A C 2.544 180.047 177.584 -0.135 0.000 1.186 530 A CA 2.389 54.352 52.037 -0.124 0.000 0.624 530 A CB -1.134 17.783 19.000 -0.138 0.000 0.822 530 A HN 1.124 nan 8.150 nan 0.000 0.444 531 A N -0.155 122.612 122.820 -0.090 0.000 1.877 531 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 531 A C 2.295 179.860 177.584 -0.031 0.000 1.186 531 A CA 2.026 54.022 52.037 -0.068 0.000 0.620 531 A CB -0.648 18.321 19.000 -0.051 0.000 0.822 531 A HN 0.596 nan 8.150 nan 0.000 0.443 532 M N -1.548 118.032 119.600 -0.033 0.000 2.067 532 M HA -0.145 4.335 4.480 -0.000 0.000 0.260 532 M C 2.336 178.748 176.300 0.187 0.000 1.069 532 M CA 1.859 57.175 55.300 0.026 0.000 1.117 532 M CB -1.007 31.385 32.600 -0.347 0.000 1.334 532 M HN 0.613 nan 8.290 nan 0.000 0.407 533 H N 1.518 120.690 119.070 0.170 0.000 2.325 533 H HA -0.213 4.343 4.556 -0.000 0.000 0.293 533 H C 2.213 177.427 175.328 -0.189 0.000 1.106 533 H CA 2.383 58.418 56.048 -0.022 0.000 1.247 533 H CB -0.266 29.328 29.762 -0.280 0.000 1.359 533 H HN 0.352 nan 8.280 nan 0.000 0.488 534 R N 0.391 120.779 120.500 -0.187 0.000 2.083 534 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 534 R C 2.554 178.795 176.300 -0.097 0.000 1.137 534 R CA 1.707 57.685 56.100 -0.204 0.000 0.951 534 R CB -0.415 29.796 30.300 -0.150 0.000 0.851 534 R HN 0.213 nan 8.270 nan 0.000 0.434 535 V N 1.217 121.118 119.914 -0.021 0.000 2.250 535 V HA -0.331 3.789 4.120 -0.000 0.000 0.250 535 V C 2.526 178.628 176.094 0.014 0.000 1.060 535 V CA 2.277 64.598 62.300 0.035 0.000 1.030 535 V CB -0.828 31.076 31.823 0.135 0.000 0.643 535 V HN 0.625 nan 8.190 nan 0.000 0.445 536 A N -1.019 121.809 122.820 0.013 0.000 1.968 536 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 536 A C 2.126 179.646 177.584 -0.106 0.000 1.169 536 A CA 1.673 53.700 52.037 -0.018 0.000 0.638 536 A CB -0.435 18.588 19.000 0.037 0.000 0.812 536 A HN 0.533 nan 8.150 nan 0.000 0.446 537 E N 0.156 120.232 120.200 -0.206 0.000 2.106 537 E HA -0.054 4.296 4.350 -0.000 0.000 0.192 537 E C 1.649 178.231 176.600 -0.030 0.000 0.984 537 E CA 0.847 57.154 56.400 -0.156 0.000 0.806 537 E CB -0.330 29.262 29.700 -0.180 0.000 0.750 537 E HN 0.646 nan 8.360 nan 0.000 0.458 538 I N 0.264 120.824 120.570 -0.015 0.000 2.394 538 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 538 I C 2.565 178.686 176.117 0.008 0.000 1.136 538 I CA 0.764 62.073 61.300 0.015 0.000 1.425 538 I CB -0.153 37.856 38.000 0.016 0.000 1.079 538 I HN 0.065 nan 8.210 nan 0.000 0.425 539 R N 1.371 121.867 120.500 -0.006 0.000 2.115 539 R HA -0.095 4.245 4.340 -0.000 0.000 0.226 539 R C 2.195 178.493 176.300 -0.004 0.000 1.100 539 R CA 1.090 57.186 56.100 -0.007 0.000 0.980 539 R CB -0.159 30.131 30.300 -0.016 0.000 0.875 539 R HN 0.333 nan 8.270 nan 0.000 0.445 540 R N -0.405 120.091 120.500 -0.006 0.000 2.105 540 R HA -0.067 4.273 4.340 -0.000 0.000 0.239 540 R C 2.007 178.315 176.300 0.013 0.000 1.135 540 R CA 1.823 57.925 56.100 0.002 0.000 0.967 540 R CB -0.714 29.588 30.300 0.003 0.000 0.861 540 R HN 0.215 nan 8.270 nan 0.000 0.442 541 T N 1.504 116.070 114.554 0.019 0.000 2.849 541 T HA -0.069 4.281 4.350 -0.000 0.000 0.270 541 T C 1.373 176.085 174.700 0.021 0.000 1.066 541 T CA 0.998 63.113 62.100 0.026 0.000 1.130 541 T CB -0.082 68.805 68.868 0.032 0.000 0.864 541 T HN 0.234 nan 8.240 nan 0.000 0.481 542 R N 1.688 122.196 120.500 0.014 0.000 2.547 542 R HA 0.243 4.583 4.340 -0.000 0.000 0.258 542 R C 0.030 176.336 176.300 0.010 0.000 1.115 542 R CA -0.083 56.024 56.100 0.011 0.000 1.152 542 R CB -0.836 29.468 30.300 0.007 0.000 1.221 542 R HN 0.280 nan 8.270 nan 0.000 0.539 543 V N 2.059 121.980 119.914 0.012 0.000 2.872 543 V HA -0.055 4.065 4.120 -0.000 0.000 0.307 543 V C 1.226 177.326 176.094 0.011 0.000 1.072 543 V CA 0.001 62.307 62.300 0.010 0.000 1.148 543 V CB 1.212 33.043 31.823 0.013 0.000 0.954 543 V HN 0.424 nan 8.190 nan 0.000 0.490 544 S N 2.383 118.088 115.700 0.009 0.000 2.603 544 S HA 0.565 5.034 4.470 -0.000 0.000 0.268 544 S C 1.048 175.655 174.600 0.011 0.000 1.317 544 S CA 0.089 58.295 58.200 0.009 0.000 1.012 544 S CB 1.208 64.412 63.200 0.006 0.000 0.926 544 S HN 2.259 nan 8.310 nan 0.000 0.539 545 G N 1.151 109.958 108.800 0.013 0.000 2.157 545 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.248 545 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.248 545 G C 0.077 174.988 174.900 0.018 0.000 0.979 545 G CA 0.039 45.147 45.100 0.014 0.000 0.650 545 G HN 1.074 nan 8.290 nan 0.000 0.529 546 R N -0.181 120.332 120.500 0.023 0.000 2.615 546 R HA 0.646 4.986 4.340 -0.000 0.000 0.270 546 R C 0.845 177.169 176.300 0.040 0.000 1.081 546 R CA -0.734 55.385 56.100 0.031 0.000 1.154 546 R CB 0.540 30.860 30.300 0.034 0.000 1.063 546 R HN 0.216 nan 8.270 nan 0.000 0.519 547 M N 1.987 121.620 119.600 0.056 0.000 2.251 547 M HA -0.049 4.431 4.480 -0.000 0.000 0.343 547 M C 0.655 177.012 176.300 0.096 0.000 1.245 547 M CA 0.739 56.086 55.300 0.078 0.000 1.061 547 M CB 0.211 32.875 32.600 0.107 0.000 1.723 547 M HN 0.658 nan 8.290 nan 0.000 0.449 551 H N 0.821 119.896 119.070 0.007 0.000 2.551 551 H HA 0.165 4.721 4.556 -0.000 0.000 0.238 551 H C -0.063 175.271 175.328 0.010 0.000 1.345 551 H CA -0.411 55.642 56.048 0.007 0.000 1.105 551 H CB 0.453 30.219 29.762 0.006 0.000 1.805 551 H HN 0.086 nan 8.280 nan 0.000 0.553 552 E N 0.439 120.672 120.200 0.056 0.000 2.410 552 E HA 0.071 4.421 4.350 -0.000 0.000 0.255 552 E C 0.531 177.160 176.600 0.048 0.000 1.194 552 E CA -0.658 55.771 56.400 0.048 0.000 0.955 552 E CB 1.352 31.068 29.700 0.027 0.000 0.988 552 E HN 0.363 nan 8.360 nan 0.000 0.461 553 R N 0.392 120.920 120.500 0.046 0.000 2.490 553 R HA 0.201 4.541 4.340 -0.000 0.000 0.278 553 R C -0.434 175.893 176.300 0.044 0.000 1.069 553 R CA -0.286 55.843 56.100 0.047 0.000 1.080 553 R CB 0.597 30.927 30.300 0.050 0.000 1.030 553 R HN 0.585 nan 8.270 nan 0.000 0.491 554 R N 2.418 122.945 120.500 0.045 0.000 2.393 554 R HA 0.437 4.777 4.340 -0.000 0.000 0.315 554 R C -1.067 175.274 176.300 0.069 0.000 0.952 554 R CA -1.087 55.039 56.100 0.045 0.000 0.842 554 R CB 1.399 31.715 30.300 0.027 0.000 1.163 554 R HN 0.300 nan 8.270 nan 0.000 0.450 555 V N 2.783 122.758 119.914 0.101 0.000 2.572 555 V HA 0.253 4.373 4.120 -0.000 0.000 0.291 555 V C 1.296 177.508 176.094 0.197 0.000 1.039 555 V CA -0.083 62.327 62.300 0.184 0.000 1.055 555 V CB 0.970 32.922 31.823 0.215 0.000 0.969 555 V HN 0.939 nan 8.190 nan 0.000 0.482 556 G N 3.280 112.203 108.800 0.204 0.000 2.699 556 G HA2 0.316 4.276 3.960 -0.000 0.000 0.246 556 G HA3 0.316 4.276 3.960 -0.000 0.000 0.246 556 G C 0.730 175.762 174.900 0.221 0.000 1.219 556 G CA 0.230 45.330 45.100 0.000 0.000 0.866 556 G HN 0.735 nan 8.290 nan 0.000 0.572 557 T N -0.071 114.500 114.554 0.029 0.000 2.978 557 T HA 0.147 4.497 4.350 -0.000 0.000 0.248 557 T C 0.647 175.407 174.700 0.100 0.000 1.018 557 T CA 0.319 62.522 62.100 0.171 0.000 1.026 557 T CB 0.153 69.063 68.868 0.070 0.000 1.032 557 T HN 0.594 nan 8.240 nan 0.000 0.485 558 E N 0.563 120.609 120.200 -0.257 0.000 2.227 558 E HA 0.427 4.777 4.350 -0.000 0.000 0.282 558 E C -1.347 174.828 176.600 -0.708 0.000 1.015 558 E CA -0.544 55.689 56.400 -0.279 0.000 0.823 558 E CB 1.099 30.663 29.700 -0.227 0.000 1.081 558 E HN 0.294 nan 8.360 nan 0.000 0.396 559 W N 0.841 122.112 121.300 -0.048 0.000 3.038 559 W HA 0.510 5.170 4.660 -0.000 0.000 0.347 559 W C -1.310 175.179 176.519 -0.051 0.000 1.219 559 W CA -0.694 56.615 57.345 -0.060 0.000 1.142 559 W CB 1.100 30.510 29.460 -0.083 0.000 1.484 559 W HN 0.128 nan 8.180 nan 0.000 0.586 560 V N 2.201 122.239 119.914 0.206 0.000 2.462 560 V HA 0.357 4.477 4.120 -0.000 0.000 0.288 560 V C -0.755 175.430 176.094 0.152 0.000 1.020 560 V CA -1.006 61.374 62.300 0.133 0.000 0.857 560 V CB 0.990 32.854 31.823 0.069 0.000 1.013 560 V HN 0.337 nan 8.190 nan 0.000 0.431 561 V N 3.654 123.678 119.914 0.182 0.000 2.432 561 V HA 0.376 4.496 4.120 -0.000 0.000 0.271 561 V C 0.573 176.824 176.094 0.262 0.000 1.046 561 V CA 0.129 62.540 62.300 0.186 0.000 0.945 561 V CB 1.501 33.419 31.823 0.157 0.000 0.992 561 V HN 0.923 nan 8.190 nan 0.000 0.471 562 T N 7.179 121.864 114.554 0.218 0.000 2.893 562 T HA 0.531 4.881 4.350 -0.000 0.000 0.324 562 T C 0.200 175.035 174.700 0.225 0.000 1.082 562 T CA -0.167 62.065 62.100 0.220 0.000 0.983 562 T CB 0.690 69.657 68.868 0.165 0.000 1.005 562 T HN 0.349 nan 8.240 nan 0.000 0.475 563 L N 1.568 122.946 121.223 0.259 0.000 2.826 563 L HA 0.415 4.755 4.340 -0.000 0.000 0.160 563 L C 1.360 178.328 176.870 0.164 0.000 1.810 563 L CA -0.863 54.101 54.840 0.207 0.000 2.452 563 L CB 0.106 42.318 42.059 0.254 0.000 2.919 563 L HN 0.471 nan 8.230 nan 0.000 0.622 564 Q N 0.538 120.428 119.800 0.149 0.000 2.574 564 Q HA -0.017 4.323 4.340 -0.000 0.000 0.236 564 Q C 0.767 176.825 176.000 0.096 0.000 1.343 564 Q CA 0.686 56.553 55.803 0.106 0.000 0.870 564 Q CB -0.756 28.045 28.738 0.105 0.000 1.655 564 Q HN 0.730 nan 8.270 nan 0.000 0.544 565 G N 1.539 110.388 108.800 0.081 0.000 2.225 565 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.272 565 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.272 565 G C 0.030 174.947 174.900 0.029 0.000 0.996 565 G CA 0.400 45.531 45.100 0.050 0.000 0.710 565 G HN 0.735 nan 8.290 nan 0.000 0.522 566 A N -0.429 122.423 122.820 0.054 0.000 2.331 566 A HA 0.670 4.990 4.320 -0.000 0.000 0.320 566 A C -0.635 176.879 177.584 -0.116 0.000 1.138 566 A CA -0.515 51.484 52.037 -0.064 0.000 0.790 566 A CB 1.201 20.177 19.000 -0.040 0.000 1.206 566 A HN 0.100 nan 8.150 nan 0.000 0.470 567 D N 0.866 121.102 120.400 -0.273 0.000 2.198 567 D HA 0.564 5.204 4.640 -0.000 0.000 0.245 567 D C -1.247 174.802 176.300 -0.418 0.000 1.079 567 D CA 0.543 54.433 54.000 -0.183 0.000 0.854 567 D CB 0.790 41.533 40.800 -0.095 0.000 1.148 567 D HN 0.303 nan 8.370 nan 0.000 0.456 568 F N 2.619 122.626 119.950 0.095 0.000 2.552 568 F HA 0.313 4.840 4.527 -0.000 0.000 0.369 568 F C -2.145 173.696 175.800 0.068 0.000 1.112 568 F CA -2.115 55.965 58.000 0.133 0.000 1.129 568 F CB 1.768 40.898 39.000 0.216 0.000 1.360 568 F HN -0.015 nan 8.300 nan 0.000 0.473 569 P HA 0.135 nan 4.420 nan 0.000 0.271 569 P C -0.632 176.703 177.300 0.059 0.000 1.233 569 P CA 0.214 63.366 63.100 0.086 0.000 0.764 569 P CB 1.359 33.091 31.700 0.052 0.000 0.825 570 V N 3.806 123.726 119.914 0.010 0.000 3.078 570 V HA 0.527 4.647 4.120 -0.000 0.000 0.311 570 V C -0.357 175.724 176.094 -0.021 0.000 1.138 570 V CA -0.305 61.922 62.300 -0.123 0.000 1.007 570 V CB 2.963 34.603 31.823 -0.304 0.000 1.045 570 V HN 0.342 nan 8.190 nan 0.000 0.432 571 T N 4.663 119.187 114.554 -0.050 0.000 2.841 571 T HA 0.672 5.022 4.350 -0.000 0.000 0.283 571 T C -0.816 173.908 174.700 0.039 0.000 1.000 571 T CA -0.205 61.914 62.100 0.033 0.000 0.977 571 T CB 0.947 69.826 68.868 0.018 0.000 0.979 571 T HN 0.411 nan 8.240 nan 0.000 0.446 572 I N 2.500 123.141 120.570 0.118 0.000 2.493 572 I HA 0.758 4.928 4.170 -0.000 0.000 0.298 572 I C -0.141 176.019 176.117 0.073 0.000 0.998 572 I CA -1.071 60.280 61.300 0.085 0.000 1.137 572 I CB 1.804 39.870 38.000 0.110 0.000 1.310 572 I HN 0.653 nan 8.210 nan 0.000 0.445 573 A N 4.729 127.573 122.820 0.040 0.000 2.402 573 A HA 0.888 5.208 4.320 -0.000 0.000 0.291 573 A C -1.043 176.549 177.584 0.014 0.000 1.051 573 A CA -0.425 51.630 52.037 0.030 0.000 0.716 573 A CB 1.544 20.559 19.000 0.026 0.000 1.223 573 A HN 0.847 nan 8.150 nan 0.000 0.425 574 A N 2.036 124.856 122.820 -0.000 0.000 2.475 574 A HA 0.791 5.111 4.320 -0.000 0.000 0.301 574 A C -0.395 177.149 177.584 -0.067 0.000 1.059 574 A CA -0.200 51.824 52.037 -0.021 0.000 0.710 574 A CB 1.668 20.658 19.000 -0.017 0.000 1.288 574 A HN 0.738 nan 8.150 nan 0.000 0.408 575 D N -1.333 119.015 120.400 -0.086 0.000 3.300 575 D HA 0.275 4.915 4.640 -0.000 0.000 0.214 575 D C 0.820 176.915 176.300 -0.340 0.000 1.227 575 D CA 0.387 54.265 54.000 -0.202 0.000 1.341 575 D CB 0.454 41.209 40.800 -0.075 0.000 0.921 575 D HN 0.535 nan 8.370 nan 0.000 0.175 576 H N -0.859 118.222 119.070 0.018 0.000 2.657 576 H HA 0.208 4.764 4.556 -0.000 0.000 0.262 576 H C 0.758 176.096 175.328 0.016 0.000 0.965 576 H CA 0.490 56.547 56.048 0.015 0.000 1.184 576 H CB 0.465 30.234 29.762 0.012 0.000 1.443 576 H HN 0.174 nan 8.280 nan 0.000 0.462 577 D N 0.601 121.078 120.400 0.128 0.000 2.075 577 D HA 0.010 4.650 4.640 -0.000 0.000 0.196 577 D C 1.564 177.895 176.300 0.052 0.000 0.985 577 D CA 1.644 55.691 54.000 0.078 0.000 0.834 577 D CB 0.208 41.044 40.800 0.061 0.000 0.987 577 D HN 0.396 nan 8.370 nan 0.000 0.452 578 G N -1.578 107.244 108.800 0.036 0.000 3.000 578 G HA2 0.499 4.459 3.960 -0.000 0.000 0.170 578 G HA3 0.499 4.459 3.960 -0.000 0.000 0.170 578 G C -1.254 173.654 174.900 0.014 0.000 1.160 578 G CA -0.084 45.032 45.100 0.027 0.000 0.945 578 G HN 0.154 nan 8.290 nan 0.000 0.593 579 S N -1.415 114.292 115.700 0.012 0.000 2.546 579 S HA 0.685 5.155 4.470 -0.000 0.000 0.274 579 S C -1.333 173.275 174.600 0.012 0.000 1.121 579 S CA -0.341 57.863 58.200 0.006 0.000 0.887 579 S CB 1.877 65.077 63.200 -0.001 0.000 1.094 579 S HN 0.609 nan 8.310 nan 0.000 0.474 580 T N 3.057 117.620 114.554 0.014 0.000 2.842 580 T HA 0.423 4.773 4.350 -0.000 0.000 0.308 580 T C -0.708 174.001 174.700 0.016 0.000 1.041 580 T CA -0.338 61.777 62.100 0.025 0.000 0.964 580 T CB 0.813 69.700 68.868 0.031 0.000 0.972 580 T HN 0.421 nan 8.240 nan 0.000 0.460 581 V N 4.029 123.948 119.914 0.009 0.000 2.432 581 V HA 0.434 4.554 4.120 -0.000 0.000 0.275 581 V C 0.248 176.315 176.094 -0.044 0.000 1.043 581 V CA -0.512 61.749 62.300 -0.064 0.000 0.925 581 V CB 1.246 32.986 31.823 -0.137 0.000 0.985 581 V HN 0.939 nan 8.190 nan 0.000 0.466 582 S N 5.160 120.804 115.700 -0.094 0.000 2.482 582 S HA 0.790 5.260 4.470 -0.000 0.000 0.303 582 S C -0.767 173.786 174.600 -0.078 0.000 1.091 582 S CA -0.503 57.715 58.200 0.030 0.000 1.057 582 S CB 1.244 64.478 63.200 0.057 0.000 1.031 582 S HN 0.376 nan 8.310 nan 0.000 0.485 583 F N 1.086 121.077 119.950 0.068 0.000 2.457 583 F HA 0.395 4.922 4.527 0.000 0.000 0.330 583 F C 1.179 177.024 175.800 0.075 0.000 1.069 583 F CA -1.224 56.832 58.000 0.094 0.000 1.009 583 F CB 0.363 39.434 39.000 0.118 0.000 1.276 583 F HN 0.441 nan 8.300 nan 0.000 0.492 587 G N 0.819 109.686 108.800 0.112 0.000 2.225 587 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.254 587 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.254 587 G C 0.428 175.391 174.900 0.106 0.000 0.988 587 G CA 0.685 45.841 45.100 0.093 0.000 0.625 587 G HN 1.275 nan 8.290 nan 0.000 0.527 588 S N -0.298 115.477 115.700 0.125 0.000 2.592 588 S HA 0.731 5.201 4.470 -0.000 0.000 0.271 588 S C 0.008 174.745 174.600 0.228 0.000 1.326 588 S CA 0.620 58.886 58.200 0.109 0.000 1.024 588 S CB 1.990 65.196 63.200 0.010 0.000 0.921 588 S HN 1.044 nan 8.310 nan 0.000 0.527 589 S N 2.230 118.036 115.700 0.177 0.000 2.575 589 S HA 0.484 4.954 4.470 -0.000 0.000 0.278 589 S C -0.612 174.092 174.600 0.174 0.000 1.139 589 S CA -0.792 57.544 58.200 0.227 0.000 0.954 589 S CB 1.184 64.466 63.200 0.137 0.000 1.054 589 S HN 0.778 nan 8.310 nan 0.000 0.483 590 M N 2.133 121.877 119.600 0.240 0.000 2.528 590 M HA 0.574 5.054 4.480 -0.000 0.000 0.318 590 M C -0.193 176.165 176.300 0.097 0.000 1.195 590 M CA -0.781 54.609 55.300 0.151 0.000 1.000 590 M CB 1.369 34.084 32.600 0.193 0.000 1.615 590 M HN 0.478 nan 8.290 nan 0.000 0.469 591 R N 1.453 121.987 120.500 0.058 0.000 2.337 591 R HA 0.552 4.892 4.340 -0.000 0.000 0.319 591 R C -1.955 174.361 176.300 0.026 0.000 0.954 591 R CA -0.401 55.722 56.100 0.038 0.000 0.840 591 R CB 0.791 31.109 30.300 0.031 0.000 1.164 591 R HN 0.547 nan 8.270 nan 0.000 0.472 592 V N 3.634 123.559 119.914 0.018 0.000 2.481 592 V HA 0.540 4.660 4.120 -0.000 0.000 0.286 592 V C 0.056 176.156 176.094 0.009 0.000 1.042 592 V CA -0.501 61.802 62.300 0.005 0.000 0.928 592 V CB 1.740 33.556 31.823 -0.011 0.000 0.986 592 V HN 0.798 nan 8.190 nan 0.000 0.462 593 T N 3.232 117.791 114.554 0.008 0.000 2.881 593 T HA 0.653 5.003 4.350 -0.000 0.000 0.290 593 T C -0.768 173.946 174.700 0.024 0.000 1.000 593 T CA -0.271 61.840 62.100 0.019 0.000 0.978 593 T CB 1.519 70.397 68.868 0.018 0.000 0.997 593 T HN 0.835 nan 8.240 nan 0.000 0.443 594 S N 1.699 117.425 115.700 0.044 0.000 2.552 594 S HA 0.358 4.828 4.470 -0.000 0.000 0.272 594 S C -0.093 174.562 174.600 0.091 0.000 1.150 594 S CA -0.510 57.731 58.200 0.068 0.000 0.849 594 S CB 1.951 65.202 63.200 0.085 0.000 1.113 594 S HN 0.709 nan 8.310 nan 0.000 0.458 595 D N 1.440 121.898 120.400 0.098 0.000 2.240 595 D HA 0.049 4.688 4.640 -0.000 0.000 0.206 595 D C 0.642 177.002 176.300 0.100 0.000 0.963 595 D CA 0.095 54.139 54.000 0.074 0.000 0.863 595 D CB -0.037 40.794 40.800 0.053 0.000 0.973 595 D HN 0.554 nan 8.370 nan 0.000 0.501 596 W N 1.726 123.003 121.300 -0.039 0.000 2.576 596 W HA 0.060 4.720 4.660 0.000 0.000 0.339 596 W C -0.349 176.148 176.519 -0.036 0.000 1.170 596 W CA 1.035 58.352 57.345 -0.047 0.000 1.370 596 W CB 0.232 29.650 29.460 -0.070 0.000 1.187 596 W HN -0.048 nan 8.180 nan 0.000 0.584 597 T N 5.501 119.206 114.554 -1.416 0.000 2.957 597 T HA 0.313 4.663 4.350 -0.000 0.000 0.336 597 T C -2.689 171.091 174.700 -1.533 0.000 1.462 597 T CA -1.099 60.338 62.100 -1.106 0.000 1.073 597 T CB 1.477 70.049 68.868 -0.495 0.000 1.319 597 T HN 0.137 nan 8.240 nan 0.000 0.485 598 P HA 0.250 nan 4.420 nan 0.000 0.263 598 P C 0.882 177.924 177.300 -0.431 0.000 1.175 598 P CA 1.875 64.742 63.100 -0.389 0.000 0.761 598 P CB 0.268 31.912 31.700 -0.094 0.000 0.794 599 G N 2.337 110.964 108.800 -0.288 0.000 2.284 599 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 599 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 599 G C -0.274 174.520 174.900 -0.177 0.000 1.009 599 G CA -0.374 44.629 45.100 -0.163 0.000 0.625 599 G HN 0.522 nan 8.290 nan 0.000 0.501 600 D N 1.424 121.539 120.400 -0.475 0.000 2.434 600 D HA 0.409 5.049 4.640 -0.000 0.000 0.252 600 D C 1.580 178.002 176.300 0.203 0.000 1.185 600 D CA 0.216 54.079 54.000 -0.229 0.000 0.886 600 D CB 0.879 41.416 40.800 -0.437 0.000 1.148 600 D HN 0.559 nan 8.370 nan 0.000 0.483 601 Q N 0.904 120.796 119.800 0.153 0.000 2.378 601 Q HA 0.050 4.390 4.340 -0.000 0.000 0.205 601 Q C 0.142 176.254 176.000 0.187 0.000 0.954 601 Q CA 0.411 56.324 55.803 0.184 0.000 0.901 601 Q CB 0.323 29.123 28.738 0.102 0.000 0.981 601 Q HN 0.341 nan 8.270 nan 0.000 0.483 602 L N -0.200 121.143 121.223 0.199 0.000 2.385 602 L HA 0.633 4.973 4.340 -0.000 0.000 0.273 602 L C -1.642 175.348 176.870 0.199 0.000 0.990 602 L CA -0.681 54.236 54.840 0.128 0.000 0.821 602 L CB 1.857 43.954 42.059 0.063 0.000 1.279 602 L HN -0.145 nan 8.230 nan 0.000 0.412 603 A N 3.940 126.802 122.820 0.069 0.000 2.291 603 A HA 0.639 4.959 4.320 -0.000 0.000 0.311 603 A C -1.024 176.559 177.584 -0.001 0.000 1.224 603 A CA -0.680 51.396 52.037 0.064 0.000 0.821 603 A CB 0.282 19.108 19.000 -0.290 0.000 1.172 603 A HN 0.689 nan 8.150 nan 0.000 0.494 604 N N 2.825 121.555 118.700 0.049 0.000 2.500 604 N HA 0.478 5.218 4.740 -0.000 0.000 0.236 604 N C -0.851 174.666 175.510 0.012 0.000 1.022 604 N CA 0.031 53.090 53.050 0.016 0.000 0.935 604 N CB 1.183 39.684 38.487 0.023 0.000 1.147 604 N HN 0.506 nan 8.380 nan 0.000 0.512 605 L N 1.047 122.257 121.223 -0.022 0.000 2.299 605 L HA 0.656 4.996 4.340 -0.000 0.000 0.268 605 L C 0.026 176.885 176.870 -0.018 0.000 1.012 605 L CA -0.827 53.999 54.840 -0.023 0.000 0.816 605 L CB 0.805 42.826 42.059 -0.063 0.000 1.355 605 L HN 0.267 nan 8.230 nan 0.000 0.457 606 M N 0.943 120.536 119.600 -0.013 0.000 2.073 606 M HA 0.470 4.950 4.480 -0.000 0.000 0.261 606 M C -1.747 174.548 176.300 -0.008 0.000 0.928 606 M CA -0.155 55.140 55.300 -0.008 0.000 1.006 606 M CB 1.266 33.866 32.600 0.000 0.000 1.893 606 M HN 0.147 nan 8.290 nan 0.000 0.440 607 V N 4.111 124.017 119.914 -0.013 0.000 2.394 607 V HA 0.406 4.526 4.120 -0.000 0.000 0.282 607 V C 0.035 176.127 176.094 -0.003 0.000 1.031 607 V CA -0.579 61.717 62.300 -0.006 0.000 0.881 607 V CB 1.572 33.388 31.823 -0.013 0.000 0.982 607 V HN 0.833 nan 8.190 nan 0.000 0.451 608 D N 4.397 124.801 120.400 0.007 0.000 2.697 608 D HA -0.197 4.443 4.640 -0.000 0.000 0.235 608 D C 1.441 177.740 176.300 -0.001 0.000 1.167 608 D CA 1.546 55.549 54.000 0.005 0.000 0.656 608 D CB -0.964 39.835 40.800 -0.003 0.000 1.025 608 D HN 1.316 nan 8.370 nan 0.000 0.419 609 G N -0.871 107.929 108.800 0.001 0.000 2.343 609 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.264 609 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.264 609 G C 0.530 175.426 174.900 -0.006 0.000 0.989 609 G CA 1.066 46.165 45.100 -0.002 0.000 0.627 609 G HN 1.296 nan 8.290 nan 0.000 0.549 610 A N 0.827 123.641 122.820 -0.010 0.000 2.290 610 A HA 0.739 5.059 4.320 -0.000 0.000 0.310 610 A C -2.045 175.530 177.584 -0.015 0.000 1.202 610 A CA -1.367 50.662 52.037 -0.014 0.000 0.837 610 A CB 1.017 20.007 19.000 -0.017 0.000 1.139 610 A HN 0.125 nan 8.150 nan 0.000 0.509 611 P HA 0.173 nan 4.420 nan 0.000 0.264 611 P C -0.882 176.406 177.300 -0.021 0.000 1.193 611 P CA 0.273 63.363 63.100 -0.016 0.000 0.763 611 P CB 0.378 32.070 31.700 -0.013 0.000 0.810 612 L N 5.915 127.121 121.223 -0.028 0.000 2.415 612 L HA 0.375 4.715 4.340 -0.000 0.000 0.268 612 L C -1.318 175.525 176.870 -0.046 0.000 0.984 612 L CA -0.472 54.345 54.840 -0.039 0.000 0.853 612 L CB 1.463 43.491 42.059 -0.051 0.000 1.215 612 L HN 0.003 nan 8.230 nan 0.000 0.419 613 V N 6.481 126.374 119.914 -0.035 0.000 2.370 613 V HA 0.530 4.650 4.120 -0.000 0.000 0.279 613 V C 0.129 176.195 176.094 -0.047 0.000 1.029 613 V CA -0.315 61.964 62.300 -0.036 0.000 0.870 613 V CB 1.418 33.232 31.823 -0.015 0.000 0.984 613 V HN 0.649 nan 8.190 nan 0.000 0.451 614 L N 4.747 125.922 121.223 -0.080 0.000 2.323 614 L HA 0.654 4.994 4.340 -0.000 0.000 0.265 614 L C -0.206 176.611 176.870 -0.088 0.000 1.012 614 L CA -0.882 53.895 54.840 -0.106 0.000 0.820 614 L CB 2.177 44.115 42.059 -0.201 0.000 1.334 614 L HN 0.427 nan 8.230 nan 0.000 0.427 615 K N 1.372 121.731 120.400 -0.068 0.000 2.339 615 K HA 0.576 4.896 4.320 -0.000 0.000 0.264 615 K C -1.261 175.296 176.600 -0.071 0.000 0.986 615 K CA -0.548 55.724 56.287 -0.026 0.000 0.866 615 K CB 2.060 34.578 32.500 0.029 0.000 1.103 615 K HN 0.232 nan 8.250 nan 0.000 0.441 616 V N 1.419 121.288 119.914 -0.075 0.000 2.630 616 V HA 0.714 4.834 4.120 -0.000 0.000 0.305 616 V C 0.481 176.615 176.094 0.066 0.000 1.046 616 V CA -0.822 61.405 62.300 -0.121 0.000 0.934 616 V CB 1.739 33.319 31.823 -0.406 0.000 1.003 616 V HN 0.928 nan 8.190 nan 0.000 0.451 617 G N 2.061 110.926 108.800 0.108 0.000 2.659 617 G HA2 0.594 4.554 3.960 -0.000 0.000 0.296 617 G HA3 0.594 4.554 3.960 -0.000 0.000 0.296 617 G C -1.334 173.715 174.900 0.247 0.000 1.369 617 G CA -0.870 44.328 45.100 0.164 0.000 0.937 617 G HN 0.585 nan 8.290 nan 0.000 0.485 618 K N -0.047 120.479 120.400 0.209 0.000 2.154 618 K HA 0.691 5.011 4.320 -0.000 0.000 0.264 618 K C -0.424 176.231 176.600 0.091 0.000 1.008 618 K CA -0.097 56.296 56.287 0.176 0.000 0.937 618 K CB 1.168 33.747 32.500 0.132 0.000 1.002 618 K HN 0.357 nan 8.250 nan 0.000 0.469 619 I N 0.097 120.684 120.570 0.028 0.000 2.918 619 I HA 0.061 4.231 4.170 -0.000 0.000 0.301 619 I C 0.071 176.185 176.117 -0.004 0.000 1.312 619 I CA -0.748 60.554 61.300 0.003 0.000 1.007 619 I CB 2.186 40.155 38.000 -0.051 0.000 1.281 619 I HN 0.612 nan 8.210 nan 0.000 0.440 624 G N -0.188 108.502 108.800 -0.183 0.000 2.470 624 G HA2 0.506 4.466 3.960 -0.000 0.000 0.145 624 G HA3 0.506 4.466 3.960 -0.000 0.000 0.145 624 G C -1.124 173.390 174.900 -0.644 0.000 1.223 624 G CA 0.156 44.928 45.100 -0.547 0.000 1.058 624 G HN 0.855 nan 8.290 nan 0.000 0.469 625 F N -0.544 119.361 119.950 -0.075 0.000 2.675 625 F HA 0.847 5.374 4.527 -0.000 0.000 0.324 625 F C 0.107 175.840 175.800 -0.111 0.000 1.106 625 F CA -1.355 56.600 58.000 -0.075 0.000 0.970 625 F CB 1.435 40.396 39.000 -0.064 0.000 1.385 625 F HN 0.542 nan 8.300 nan 0.000 0.489 626 R N 1.476 122.080 120.500 0.173 0.000 2.207 626 R HA 0.670 5.010 4.340 -0.000 0.000 0.334 626 R C -1.746 174.574 176.300 0.035 0.000 1.013 626 R CA -0.338 55.798 56.100 0.061 0.000 0.858 626 R CB 0.371 30.696 30.300 0.043 0.000 1.094 626 R HN 0.646 nan 8.270 nan 0.000 0.457 627 I N 3.765 124.337 120.570 0.003 0.000 2.493 627 I HA 0.429 4.599 4.170 -0.000 0.000 0.298 627 I C -0.182 175.925 176.117 -0.017 0.000 0.998 627 I CA -0.607 60.662 61.300 -0.052 0.000 1.137 627 I CB 1.921 39.869 38.000 -0.085 0.000 1.310 627 I HN 0.538 nan 8.210 nan 0.000 0.445 628 R N 3.202 123.692 120.500 -0.017 0.000 2.473 628 R HA 0.594 4.934 4.340 -0.000 0.000 0.303 628 R C -0.229 176.082 176.300 0.019 0.000 1.002 628 R CA -0.265 55.851 56.100 0.026 0.000 0.884 628 R CB 1.730 32.065 30.300 0.058 0.000 1.173 628 R HN 0.758 nan 8.270 nan 0.000 0.464 629 T N 0.918 115.490 114.554 0.030 0.000 3.422 629 T HA 0.242 4.591 4.350 -0.000 0.000 0.192 629 T C 0.847 175.578 174.700 0.051 0.000 0.857 629 T CA -0.179 61.935 62.100 0.023 0.000 1.400 629 T CB -0.023 68.848 68.868 0.006 0.000 1.864 629 T HN 0.204 nan 8.240 nan 0.000 0.415 630 R N 0.807 121.345 120.500 0.063 0.000 0.725 630 R HA 0.510 4.850 4.340 -0.000 0.000 0.054 630 R C 2.358 178.734 176.300 0.127 0.000 0.611 630 R CA 0.635 56.782 56.100 0.079 0.000 2.152 630 R CB -1.082 29.263 30.300 0.075 0.000 0.594 630 R HN 0.466 nan 8.270 nan 0.000 0.790 631 G N 0.221 109.126 108.800 0.175 0.000 2.653 631 G HA2 0.020 3.980 3.960 -0.000 0.000 0.212 631 G HA3 0.020 3.980 3.960 -0.000 0.000 0.212 631 G C 0.289 175.363 174.900 0.291 0.000 1.138 631 G CA 0.527 45.813 45.100 0.311 0.000 0.782 631 G HN 0.597 nan 8.290 nan 0.000 0.535 632 A N 0.101 123.029 122.820 0.180 0.000 2.507 632 A HA 0.443 4.763 4.320 -0.000 0.000 0.235 632 A C 0.135 177.790 177.584 0.119 0.000 1.070 632 A CA 0.359 52.473 52.037 0.127 0.000 0.768 632 A CB 0.359 19.408 19.000 0.082 0.000 1.011 632 A HN 0.228 nan 8.150 nan 0.000 0.502 633 D N 0.443 120.890 120.400 0.078 0.000 2.349 633 D HA 0.342 4.982 4.640 -0.000 0.000 0.224 633 D C -1.273 175.035 176.300 0.014 0.000 1.323 633 D CA -0.206 53.824 54.000 0.049 0.000 0.917 633 D CB -0.216 40.615 40.800 0.052 0.000 1.524 633 D HN 0.724 nan 8.370 nan 0.000 0.505 634 L N -0.618 120.614 121.223 0.013 0.000 2.434 634 L HA 0.667 5.007 4.340 -0.000 0.000 0.260 634 L C -0.458 176.410 176.870 -0.003 0.000 0.983 634 L CA -1.124 53.720 54.840 0.007 0.000 0.820 634 L CB 2.010 44.085 42.059 0.026 0.000 1.361 634 L HN -0.155 nan 8.230 nan 0.000 0.410 635 K N 1.819 122.206 120.400 -0.021 0.000 2.416 635 K HA 0.384 4.704 4.320 -0.000 0.000 0.283 635 K C -0.850 175.690 176.600 -0.100 0.000 1.037 635 K CA -0.338 55.892 56.287 -0.095 0.000 0.995 635 K CB 1.443 33.863 32.500 -0.133 0.000 0.938 635 K HN 0.419 nan 8.250 nan 0.000 0.475 636 V N 5.036 124.889 119.914 -0.102 0.000 2.313 636 V HA 0.086 4.206 4.120 -0.000 0.000 0.278 636 V C -0.148 175.877 176.094 -0.116 0.000 1.017 636 V CA -0.864 61.426 62.300 -0.016 0.000 0.823 636 V CB 0.584 32.461 31.823 0.089 0.000 1.010 636 V HN 0.687 nan 8.190 nan 0.000 0.443 637 H N 3.417 122.509 119.070 0.036 0.000 2.620 637 H HA 0.403 4.959 4.556 -0.000 0.000 0.313 637 H C -0.568 174.730 175.328 -0.050 0.000 1.075 637 H CA -0.168 55.868 56.048 -0.019 0.000 1.397 637 H CB 2.103 31.864 29.762 -0.000 0.000 1.446 637 H HN 0.385 nan 8.280 nan 0.000 0.493 638 V N 6.397 126.266 119.914 -0.075 0.000 2.293 638 V HA 0.303 4.423 4.120 -0.000 0.000 0.275 638 V C 0.471 176.451 176.094 -0.190 0.000 1.021 638 V CA -0.420 61.748 62.300 -0.220 0.000 0.815 638 V CB 0.620 32.100 31.823 -0.571 0.000 1.025 638 V HN 0.661 nan 8.190 nan 0.000 0.448 639 R N 1.770 122.313 120.500 0.070 0.000 2.923 639 R HA 0.744 5.084 4.340 -0.000 0.000 0.252 639 R C 0.182 176.607 176.300 0.208 0.000 1.130 639 R CA -0.647 55.541 56.100 0.147 0.000 1.043 639 R CB 1.964 32.301 30.300 0.062 0.000 1.205 639 R HN 0.707 nan 8.270 nan 0.000 0.495 640 T N -1.827 112.737 114.554 0.017 0.000 2.918 640 T HA 0.254 4.604 4.350 -0.000 0.000 0.283 640 T C -1.713 172.899 174.700 -0.145 0.000 1.001 640 T CA -1.774 60.170 62.100 -0.260 0.000 1.041 640 T CB 1.394 70.036 68.868 -0.376 0.000 1.028 640 T HN 0.303 nan 8.240 nan 0.000 0.511 641 P HA -0.202 nan 4.420 nan 0.000 0.217 641 P C 1.380 178.631 177.300 -0.082 0.000 1.151 641 P CA 1.218 64.254 63.100 -0.107 0.000 0.849 641 P CB 0.164 31.793 31.700 -0.118 0.000 0.787 642 R N -0.254 120.191 120.500 -0.092 0.000 2.119 642 R HA -0.049 4.291 4.340 -0.000 0.000 0.222 642 R C 2.560 178.829 176.300 -0.051 0.000 1.088 642 R CA 0.878 56.939 56.100 -0.065 0.000 0.984 642 R CB -0.219 30.043 30.300 -0.063 0.000 0.884 642 R HN 0.140 nan 8.270 nan 0.000 0.447 643 Q N -0.069 119.699 119.800 -0.052 0.000 1.993 643 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 643 Q C 2.090 178.069 176.000 -0.035 0.000 0.984 643 Q CA 2.161 57.946 55.803 -0.031 0.000 0.837 643 Q CB -0.174 28.559 28.738 -0.008 0.000 0.902 643 Q HN 0.400 nan 8.270 nan 0.000 0.423 644 A N 0.970 123.770 122.820 -0.033 0.000 1.873 644 A HA -0.341 3.979 4.320 -0.000 0.000 0.218 644 A C 1.933 179.492 177.584 -0.040 0.000 1.193 644 A CA 2.016 54.033 52.037 -0.034 0.000 0.629 644 A CB -0.939 18.049 19.000 -0.020 0.000 0.826 644 A HN 0.564 nan 8.150 nan 0.000 0.447 645 E N -0.268 119.909 120.200 -0.040 0.000 2.065 645 E HA -0.234 4.116 4.350 -0.000 0.000 0.201 645 E C 1.971 178.549 176.600 -0.036 0.000 1.016 645 E CA 1.702 58.080 56.400 -0.037 0.000 0.818 645 E CB -0.264 29.413 29.700 -0.038 0.000 0.749 645 E HN 0.643 nan 8.360 nan 0.000 0.453 646 L N 0.113 121.314 121.223 -0.036 0.000 2.072 646 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 646 L C 2.743 179.590 176.870 -0.039 0.000 1.079 646 L CA 0.813 55.632 54.840 -0.034 0.000 0.752 646 L CB -0.579 41.462 42.059 -0.030 0.000 0.906 646 L HN 0.231 nan 8.230 nan 0.000 0.436 647 A N 0.074 122.865 122.820 -0.049 0.000 2.032 647 A HA -0.254 4.066 4.320 -0.000 0.000 0.221 647 A C 2.361 179.907 177.584 -0.064 0.000 1.165 647 A CA 1.617 53.614 52.037 -0.067 0.000 0.645 647 A CB -0.619 18.321 19.000 -0.100 0.000 0.807 647 A HN 0.331 nan 8.150 nan 0.000 0.453 648 R N -0.886 119.583 120.500 -0.052 0.000 2.237 648 R HA 0.089 4.429 4.340 -0.000 0.000 0.219 648 R C 1.204 177.483 176.300 -0.035 0.000 1.080 648 R CA 0.704 56.778 56.100 -0.044 0.000 0.995 648 R CB -0.227 30.050 30.300 -0.037 0.000 0.875 648 R HN 0.568 nan 8.270 nan 0.000 0.462 649 L N 0.176 121.379 121.223 -0.033 0.000 2.592 649 L HA 0.135 4.475 4.340 -0.000 0.000 0.227 649 L C 0.234 177.089 176.870 -0.026 0.000 1.127 649 L CA -0.219 54.605 54.840 -0.027 0.000 0.884 649 L CB 0.041 42.085 42.059 -0.024 0.000 1.065 649 L HN 0.077 nan 8.230 nan 0.000 0.457 650 M N 1.085 120.665 119.600 -0.032 0.000 2.200 650 M HA 0.283 4.763 4.480 -0.000 0.000 0.355 650 M C -1.930 174.354 176.300 -0.026 0.000 1.283 650 M CA -1.987 53.295 55.300 -0.030 0.000 1.124 650 M CB -0.358 32.218 32.600 -0.040 0.000 1.625 650 M HN -0.234 nan 8.290 nan 0.000 0.463 651 P HA 0.043 nan 4.420 nan 0.000 0.269 651 P C -0.376 176.915 177.300 -0.016 0.000 1.217 651 P CA -0.144 62.947 63.100 -0.016 0.000 0.783 651 P CB 0.533 32.225 31.700 -0.012 0.000 0.898 652 E N 2.434 122.626 120.200 -0.013 0.000 2.130 652 E HA 0.044 4.394 4.350 -0.000 0.000 0.284 652 E C -0.027 176.568 176.600 -0.007 0.000 1.018 652 E CA -0.805 55.588 56.400 -0.011 0.000 0.817 652 E CB 0.577 30.271 29.700 -0.009 0.000 1.078 652 E HN 0.264 nan 8.360 nan 0.000 0.396 653 K N 4.803 125.199 120.400 -0.005 0.000 2.472 653 K HA 0.043 4.363 4.320 -0.000 0.000 0.280 653 K C -0.590 176.008 176.600 -0.004 0.000 1.028 653 K CA 0.222 56.507 56.287 -0.003 0.000 1.045 653 K CB 0.270 32.771 32.500 0.000 0.000 0.902 653 K HN 0.443 nan 8.250 nan 0.000 0.478 654 L N 5.410 126.630 121.223 -0.005 0.000 2.325 654 L HA 0.301 4.641 4.340 -0.000 0.000 0.281 654 L C -1.466 175.400 176.870 -0.006 0.000 1.004 654 L CA -2.150 52.686 54.840 -0.006 0.000 0.823 654 L CB 1.630 43.686 42.059 -0.006 0.000 1.236 654 L HN 0.715 nan 8.230 nan 0.000 0.415 655 P HA 0.052 nan 4.420 nan 0.000 0.272 655 P C -2.542 174.751 177.300 -0.010 0.000 1.225 655 P CA -0.607 62.486 63.100 -0.011 0.000 0.800 655 P CB -0.504 31.187 31.700 -0.015 0.000 0.894 656 P HA 0.228 nan 4.420 nan 0.000 0.279 656 P C -0.621 176.672 177.300 -0.013 0.000 1.276 656 P CA -0.257 62.837 63.100 -0.010 0.000 0.801 656 P CB 0.772 32.466 31.700 -0.010 0.000 1.127 657 D N -0.316 120.078 120.400 -0.011 0.000 2.253 657 D HA 0.329 4.969 4.640 -0.000 0.000 0.249 657 D C -0.169 176.121 176.300 -0.016 0.000 1.049 657 D CA 0.276 54.269 54.000 -0.012 0.000 0.929 657 D CB 1.045 41.841 40.800 -0.007 0.000 1.176 657 D HN 0.211 nan 8.370 nan 0.000 0.437 658 T N 0.334 114.875 114.554 -0.022 0.000 2.829 658 T HA 0.365 4.715 4.350 -0.000 0.000 0.280 658 T C 0.084 174.771 174.700 -0.022 0.000 0.999 658 T CA -0.741 61.340 62.100 -0.032 0.000 0.983 658 T CB 1.265 70.097 68.868 -0.060 0.000 0.968 658 T HN 0.370 nan 8.240 nan 0.000 0.446 659 S N 2.234 117.927 115.700 -0.013 0.000 2.586 659 S HA 0.385 4.855 4.470 -0.000 0.000 0.274 659 S C 0.476 175.087 174.600 0.019 0.000 1.281 659 S CA -0.769 57.438 58.200 0.012 0.000 1.035 659 S CB 0.989 64.204 63.200 0.025 0.000 0.962 659 S HN 0.645 nan 8.310 nan 0.000 0.512 660 K N 0.651 121.090 120.400 0.064 0.000 2.469 660 K HA 0.258 4.578 4.320 -0.000 0.000 0.201 660 K C -0.570 176.199 176.600 0.282 0.000 1.028 660 K CA 0.095 56.471 56.287 0.148 0.000 1.170 660 K CB -0.153 32.440 32.500 0.156 0.000 0.874 660 K HN 0.529 nan 8.250 nan 0.000 0.507 661 M N 1.689 121.400 119.600 0.184 0.000 2.085 661 M HA 0.192 4.672 4.480 -0.000 0.000 0.309 661 M C -1.289 175.108 176.300 0.163 0.000 0.947 661 M CA -0.932 54.472 55.300 0.174 0.000 0.918 661 M CB 1.352 34.008 32.600 0.092 0.000 1.504 661 M HN -0.084 nan 8.290 nan 0.000 0.420 662 L N 6.455 127.814 121.223 0.226 0.000 2.433 662 L HA 0.407 4.747 4.340 -0.000 0.000 0.284 662 L C -1.278 175.651 176.870 0.098 0.000 1.120 662 L CA 0.424 55.367 54.840 0.173 0.000 0.879 662 L CB -0.304 41.903 42.059 0.246 0.000 1.232 662 L HN 0.627 nan 8.230 nan 0.000 0.454 663 L N 4.553 125.817 121.223 0.068 0.000 2.375 663 L HA 0.287 4.627 4.340 -0.000 0.000 0.271 663 L C 0.318 177.213 176.870 0.041 0.000 1.107 663 L CA -0.590 54.278 54.840 0.047 0.000 0.806 663 L CB 1.062 43.143 42.059 0.036 0.000 1.146 663 L HN 0.618 nan 8.230 nan 0.000 0.447 664 C N 5.427 124.747 119.300 0.034 0.000 2.464 664 C HA 0.293 4.753 4.460 -0.000 0.000 0.370 664 C C -0.633 174.372 174.990 0.025 0.000 1.267 664 C CA -1.176 57.859 59.018 0.030 0.000 1.781 664 C CB -0.056 27.699 27.740 0.025 0.000 2.431 664 C HN 0.657 nan 8.230 nan 0.000 0.556 665 P HA 0.052 nan 4.420 nan 0.000 0.245 665 P C 0.053 177.364 177.300 0.018 0.000 1.203 665 P CA 0.792 63.904 63.100 0.020 0.000 0.792 665 P CB 0.050 31.762 31.700 0.020 0.000 0.997 666 M N -1.352 118.259 119.600 0.019 0.000 2.253 666 M HA 0.582 5.062 4.480 -0.000 0.000 0.314 666 M C -3.151 173.158 176.300 0.016 0.000 1.019 666 M CA -2.707 52.603 55.300 0.017 0.000 0.932 666 M CB 2.092 34.703 32.600 0.018 0.000 1.606 666 M HN -0.387 nan 8.290 nan 0.000 0.430 667 P HA 0.255 nan 4.420 nan 0.000 0.259 667 P C -0.152 177.156 177.300 0.013 0.000 1.635 667 P CA 0.462 63.570 63.100 0.013 0.000 1.199 667 P CB 0.018 31.725 31.700 0.012 0.000 1.850 668 G N 1.728 110.537 108.800 0.014 0.000 3.183 668 G HA2 0.606 4.566 3.960 -0.000 0.000 0.247 668 G HA3 0.606 4.566 3.960 -0.000 0.000 0.247 668 G C -1.640 173.268 174.900 0.014 0.000 1.211 668 G CA -0.606 44.502 45.100 0.014 0.000 0.835 668 G HN 0.441 nan 8.290 nan 0.000 0.604 669 L N 0.479 121.711 121.223 0.015 0.000 2.333 669 L HA 0.636 4.976 4.340 -0.000 0.000 0.280 669 L C -0.548 176.332 176.870 0.016 0.000 1.004 669 L CA -0.917 53.932 54.840 0.014 0.000 0.820 669 L CB 1.411 43.478 42.059 0.013 0.000 1.247 669 L HN 0.388 nan 8.230 nan 0.000 0.416 670 I N 6.026 126.605 120.570 0.015 0.000 2.494 670 I HA -0.013 4.157 4.170 -0.000 0.000 0.289 670 I C 0.970 177.097 176.117 0.017 0.000 1.106 670 I CA -0.050 61.260 61.300 0.016 0.000 1.369 670 I CB 1.241 39.249 38.000 0.014 0.000 1.410 670 I HN 0.604 nan 8.210 nan 0.000 0.523 671 V N 6.196 126.122 119.914 0.020 0.000 2.535 671 V HA -0.055 4.065 4.120 -0.000 0.000 0.246 671 V C 0.634 176.741 176.094 0.021 0.000 1.045 671 V CA 1.313 63.626 62.300 0.021 0.000 1.058 671 V CB -0.494 31.344 31.823 0.025 0.000 0.689 671 V HN 0.897 nan 8.190 nan 0.000 0.461 672 K N -0.950 119.463 120.400 0.022 0.000 2.598 672 K HA 0.485 4.805 4.320 -0.000 0.000 0.271 672 K C -2.120 174.492 176.600 0.020 0.000 0.947 672 K CA -0.684 55.615 56.287 0.020 0.000 0.854 672 K CB 2.187 34.701 32.500 0.024 0.000 1.401 672 K HN -0.199 nan 8.250 nan 0.000 0.415 673 V N 2.885 122.808 119.914 0.014 0.000 2.409 673 V HA 0.301 4.421 4.120 -0.000 0.000 0.291 673 V C -0.379 175.722 176.094 0.011 0.000 1.020 673 V CA -0.525 61.783 62.300 0.014 0.000 0.848 673 V CB 1.521 33.346 31.823 0.004 0.000 0.990 673 V HN 0.974 nan 8.190 nan 0.000 0.430 674 D N 3.175 123.585 120.400 0.018 0.000 2.559 674 D HA 0.216 4.856 4.640 -0.000 0.000 0.234 674 D C -0.262 176.047 176.300 0.015 0.000 1.226 674 D CA 0.054 54.062 54.000 0.013 0.000 0.830 674 D CB 1.440 42.251 40.800 0.018 0.000 1.028 674 D HN 0.293 nan 8.370 nan 0.000 0.492 675 V N 0.441 120.362 119.914 0.013 0.000 2.760 675 V HA 0.263 4.383 4.120 -0.000 0.000 0.309 675 V C -0.235 175.852 176.094 -0.011 0.000 1.077 675 V CA -0.895 61.412 62.300 0.012 0.000 0.910 675 V CB 2.831 34.673 31.823 0.032 0.000 1.008 675 V HN 0.019 nan 8.190 nan 0.000 0.424 676 E N 1.502 121.694 120.200 -0.014 0.000 2.232 676 E HA 0.590 4.940 4.350 -0.000 0.000 0.265 676 E C -0.979 175.595 176.600 -0.042 0.000 1.001 676 E CA -0.896 55.488 56.400 -0.026 0.000 0.870 676 E CB 2.338 32.027 29.700 -0.018 0.000 1.175 676 E HN 0.487 nan 8.360 nan 0.000 0.407 677 V N 0.929 120.813 119.914 -0.050 0.000 2.740 677 V HA 0.206 4.326 4.120 -0.000 0.000 0.303 677 V C 1.317 177.385 176.094 -0.043 0.000 1.054 677 V CA 0.783 63.044 62.300 -0.064 0.000 1.106 677 V CB 0.210 31.999 31.823 -0.057 0.000 0.957 677 V HN 1.062 nan 8.190 nan 0.000 0.486 678 G N 2.368 111.140 108.800 -0.046 0.000 2.153 678 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.252 678 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.252 678 G C 0.170 175.069 174.900 -0.002 0.000 0.994 678 G CA 0.682 45.771 45.100 -0.019 0.000 0.698 678 G HN 0.910 nan 8.290 nan 0.000 0.521 679 Q N -0.154 119.646 119.800 -0.000 0.000 2.256 679 Q HA 0.583 4.923 4.340 -0.000 0.000 0.232 679 Q C -0.021 176.012 176.000 0.054 0.000 0.965 679 Q CA -0.562 55.254 55.803 0.021 0.000 0.908 679 Q CB 0.665 29.415 28.738 0.020 0.000 1.209 679 Q HN 0.437 nan 8.270 nan 0.000 0.489 680 E N 1.490 121.725 120.200 0.059 0.000 2.171 680 E HA 0.420 4.770 4.350 -0.000 0.000 0.271 680 E C -1.393 175.258 176.600 0.085 0.000 0.916 680 E CA -0.808 55.639 56.400 0.078 0.000 0.774 680 E CB 1.499 31.232 29.700 0.054 0.000 1.128 680 E HN 0.456 nan 8.360 nan 0.000 0.403 681 V N 1.406 121.387 119.914 0.112 0.000 2.715 681 V HA 0.497 4.617 4.120 -0.000 0.000 0.310 681 V C -0.415 175.704 176.094 0.042 0.000 1.054 681 V CA -1.080 61.274 62.300 0.090 0.000 0.928 681 V CB 1.712 33.619 31.823 0.140 0.000 1.007 681 V HN 0.613 nan 8.190 nan 0.000 0.437 682 Q N 1.552 121.370 119.800 0.031 0.000 2.259 682 Q HA 0.288 4.628 4.340 -0.000 0.000 0.246 682 Q C 0.100 176.096 176.000 -0.006 0.000 0.920 682 Q CA -0.280 55.533 55.803 0.016 0.000 0.895 682 Q CB 1.379 30.131 28.738 0.023 0.000 1.220 682 Q HN 0.958 nan 8.270 nan 0.000 0.439 683 E N 0.532 120.721 120.200 -0.017 0.000 2.491 683 E HA 0.057 4.407 4.350 -0.000 0.000 0.250 683 E C 0.181 176.768 176.600 -0.021 0.000 1.061 683 E CA 0.896 57.275 56.400 -0.035 0.000 0.942 683 E CB -0.259 29.421 29.700 -0.033 0.000 0.957 683 E HN 0.838 nan 8.360 nan 0.000 0.480 684 G N 3.908 112.693 108.800 -0.026 0.000 2.144 684 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 684 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 684 G C 0.191 175.095 174.900 0.007 0.000 0.988 684 G CA 0.242 45.337 45.100 -0.009 0.000 0.659 684 G HN 0.590 nan 8.290 nan 0.000 0.522 685 Q N 0.461 120.267 119.800 0.011 0.000 2.327 685 Q HA 0.630 4.970 4.340 -0.000 0.000 0.254 685 Q C 0.839 176.863 176.000 0.039 0.000 0.952 685 Q CA 0.081 55.901 55.803 0.028 0.000 0.884 685 Q CB 0.840 29.599 28.738 0.036 0.000 1.224 685 Q HN 0.942 nan 8.270 nan 0.000 0.422 686 A N 4.769 127.614 122.820 0.042 0.000 2.545 686 A HA 0.072 4.392 4.320 -0.000 0.000 0.253 686 A C 0.410 178.030 177.584 0.059 0.000 1.074 686 A CA 0.197 52.263 52.037 0.047 0.000 0.760 686 A CB 0.022 19.049 19.000 0.044 0.000 1.005 686 A HN 0.940 nan 8.150 nan 0.000 0.506 687 L N 2.185 123.450 121.223 0.069 0.000 2.296 687 L HA 0.122 4.462 4.340 -0.000 0.000 0.193 687 L C 1.153 178.060 176.870 0.062 0.000 1.123 687 L CA 0.883 55.776 54.840 0.088 0.000 0.805 687 L CB -0.557 41.583 42.059 0.135 0.000 1.004 687 L HN 0.959 nan 8.230 nan 0.000 0.478 688 C N -2.739 116.595 119.300 0.057 0.000 3.277 688 C HA 0.794 5.254 4.460 -0.000 0.000 0.367 688 C C -0.168 174.846 174.990 0.040 0.000 1.949 688 C CA -0.603 58.440 59.018 0.042 0.000 1.428 688 C CB 1.704 29.467 27.740 0.038 0.000 2.409 688 C HN 0.285 nan 8.230 nan 0.000 0.460 689 T N 1.318 115.892 114.554 0.034 0.000 3.355 689 T HA 0.440 4.790 4.350 -0.000 0.000 0.324 689 T C -0.768 173.949 174.700 0.029 0.000 0.932 689 T CA 0.070 62.190 62.100 0.034 0.000 1.032 689 T CB 0.300 69.189 68.868 0.035 0.000 1.027 689 T HN 0.580 nan 8.240 nan 0.000 0.456 690 I N 2.267 122.854 120.570 0.028 0.000 2.396 690 I HA 0.360 4.530 4.170 -0.000 0.000 0.292 690 I C 0.668 176.799 176.117 0.023 0.000 0.999 690 I CA -0.688 60.627 61.300 0.024 0.000 1.310 690 I CB 1.307 39.321 38.000 0.024 0.000 1.404 690 I HN 0.516 nan 8.210 nan 0.000 0.496 691 E N 4.668 124.881 120.200 0.021 0.000 2.081 691 E HA 0.411 4.761 4.350 -0.000 0.000 0.281 691 E C 0.312 176.923 176.600 0.018 0.000 0.986 691 E CA -0.212 56.200 56.400 0.020 0.000 0.796 691 E CB 1.277 30.989 29.700 0.019 0.000 1.085 691 E HN 0.761 nan 8.360 nan 0.000 0.398 692 A N 4.837 127.667 122.820 0.018 0.000 1.833 692 A HA 0.031 4.351 4.320 -0.000 0.000 0.215 692 A C 0.979 178.572 177.584 0.014 0.000 1.275 692 A CA 0.906 52.953 52.037 0.016 0.000 0.602 692 A CB 0.130 19.140 19.000 0.017 0.000 0.929 692 A HN 0.715 nan 8.150 nan 0.000 0.462 693 M N -0.612 118.997 119.600 0.014 0.000 3.124 693 M HA 0.260 4.740 4.480 -0.000 0.000 0.298 693 M C -0.841 175.467 176.300 0.013 0.000 1.403 693 M CA -0.223 55.085 55.300 0.013 0.000 0.651 693 M CB 1.207 33.814 32.600 0.012 0.000 1.412 693 M HN 0.295 nan 8.290 nan 0.000 0.477 694 K N -0.536 119.873 120.400 0.014 0.000 3.299 694 K HA -0.114 4.206 4.320 -0.000 0.000 0.284 694 K C -0.854 175.756 176.600 0.016 0.000 1.235 694 K CA 0.662 56.958 56.287 0.014 0.000 0.833 694 K CB -1.498 31.010 32.500 0.013 0.000 1.330 694 K HN 0.591 nan 8.250 nan 0.000 0.510 695 M N 0.550 120.160 119.600 0.018 0.000 2.324 695 M HA 0.311 4.791 4.480 -0.000 0.000 0.288 695 M C -1.054 175.259 176.300 0.022 0.000 1.097 695 M CA -0.339 54.973 55.300 0.019 0.000 0.928 695 M CB 1.800 34.410 32.600 0.018 0.000 1.648 695 M HN 0.126 nan 8.290 nan 0.000 0.460 696 E N 2.341 122.556 120.200 0.025 0.000 2.259 696 E HA 0.368 4.718 4.350 -0.000 0.000 0.281 696 E C -1.065 175.553 176.600 0.028 0.000 1.027 696 E CA -0.165 56.251 56.400 0.028 0.000 0.838 696 E CB 0.733 30.452 29.700 0.032 0.000 1.066 696 E HN 0.568 nan 8.360 nan 0.000 0.401 697 N N 2.788 121.505 118.700 0.028 0.000 2.442 697 N HA 0.317 5.057 4.740 -0.000 0.000 0.274 697 N C -1.042 174.487 175.510 0.032 0.000 1.002 697 N CA -0.385 52.682 53.050 0.029 0.000 0.910 697 N CB 1.240 39.742 38.487 0.026 0.000 1.244 697 N HN 0.320 nan 8.380 nan 0.000 0.492 698 I N 2.914 123.505 120.570 0.034 0.000 2.312 698 I HA 0.199 4.369 4.170 -0.000 0.000 0.291 698 I C -0.261 175.877 176.117 0.036 0.000 1.031 698 I CA -0.490 60.832 61.300 0.037 0.000 1.293 698 I CB 0.529 38.552 38.000 0.040 0.000 1.403 698 I HN 0.291 nan 8.210 nan 0.000 0.484 699 L N 7.954 129.200 121.223 0.039 0.000 2.350 699 L HA 0.521 4.861 4.340 -0.000 0.000 0.275 699 L C 0.093 176.990 176.870 0.045 0.000 1.099 699 L CA -0.445 54.420 54.840 0.041 0.000 0.808 699 L CB 0.771 42.858 42.059 0.048 0.000 1.149 699 L HN 0.630 nan 8.230 nan 0.000 0.442 700 R N 2.442 122.963 120.500 0.035 0.000 2.808 700 R HA 0.758 5.098 4.340 -0.000 0.000 0.272 700 R C -0.927 175.375 176.300 0.003 0.000 0.995 700 R CA -1.088 55.030 56.100 0.029 0.000 0.917 700 R CB 1.316 31.629 30.300 0.021 0.000 1.217 700 R HN 0.554 nan 8.270 nan 0.000 0.471 701 A N 1.256 124.070 122.820 -0.010 0.000 2.584 701 A HA -0.066 4.254 4.320 -0.000 0.000 0.239 701 A C 0.923 178.440 177.584 -0.113 0.000 1.043 701 A CA 0.198 52.173 52.037 -0.103 0.000 0.756 701 A CB 0.100 19.045 19.000 -0.093 0.000 0.963 701 A HN 0.995 nan 8.150 nan 0.000 0.511 702 E N 1.670 121.768 120.200 -0.170 0.000 2.028 702 E HA -0.064 4.286 4.350 -0.000 0.000 0.190 702 E C 0.570 177.102 176.600 -0.114 0.000 0.984 702 E CA 1.733 58.060 56.400 -0.122 0.000 0.800 702 E CB 0.015 29.636 29.700 -0.131 0.000 0.758 702 E HN 0.778 nan 8.360 nan 0.000 0.448 703 K N -0.650 119.654 120.400 -0.160 0.000 2.482 703 K HA 0.431 4.751 4.320 -0.000 0.000 0.257 703 K C -1.157 175.361 176.600 -0.136 0.000 0.969 703 K CA -1.091 55.125 56.287 -0.118 0.000 0.842 703 K CB 1.440 33.879 32.500 -0.101 0.000 1.359 703 K HN -0.273 nan 8.250 nan 0.000 0.441 704 K N 0.472 120.827 120.400 -0.076 0.000 2.451 704 K HA 0.361 4.681 4.320 -0.000 0.000 0.280 704 K C 0.175 176.743 176.600 -0.055 0.000 1.020 704 K CA 0.336 56.594 56.287 -0.048 0.000 1.008 704 K CB 0.643 33.136 32.500 -0.011 0.000 0.917 704 K HN 0.821 nan 8.250 nan 0.000 0.478 705 G N 0.306 109.090 108.800 -0.027 0.000 2.548 705 G HA2 0.494 4.454 3.960 -0.000 0.000 0.301 705 G HA3 0.494 4.454 3.960 -0.000 0.000 0.301 705 G C -1.709 173.296 174.900 0.175 0.000 1.349 705 G CA -0.740 44.382 45.100 0.037 0.000 0.792 705 G HN 0.351 nan 8.290 nan 0.000 0.481 706 V N 0.350 120.423 119.914 0.265 0.000 2.588 706 V HA 0.429 4.549 4.120 -0.000 0.000 0.304 706 V C 0.261 176.496 176.094 0.235 0.000 1.042 706 V CA -0.738 61.698 62.300 0.227 0.000 0.877 706 V CB 1.684 33.573 31.823 0.110 0.000 0.996 706 V HN 0.668 nan 8.190 nan 0.000 0.425 707 V N 4.895 124.844 119.914 0.058 0.000 2.475 707 V HA 0.122 4.242 4.120 -0.000 0.000 0.292 707 V C 1.291 177.267 176.094 -0.196 0.000 1.003 707 V CA 1.086 63.208 62.300 -0.297 0.000 1.120 707 V CB 0.233 31.903 31.823 -0.255 0.000 0.937 707 V HN 1.118 nan 8.190 nan 0.000 0.476 708 A N 6.053 128.728 122.820 -0.243 0.000 1.832 708 A HA 0.147 4.467 4.320 -0.000 0.000 0.214 708 A C 0.888 178.390 177.584 -0.136 0.000 1.242 708 A CA 1.167 53.130 52.037 -0.123 0.000 0.603 708 A CB 0.085 19.037 19.000 -0.080 0.000 0.902 708 A HN 0.854 nan 8.150 nan 0.000 0.455 709 K N -1.260 119.036 120.400 -0.174 0.000 2.508 709 K HA 0.738 5.058 4.320 -0.000 0.000 0.260 709 K C -1.606 174.897 176.600 -0.160 0.000 0.949 709 K CA -0.654 55.553 56.287 -0.134 0.000 0.834 709 K CB 1.651 34.102 32.500 -0.082 0.000 1.365 709 K HN 0.213 nan 8.250 nan 0.000 0.437 710 I N 1.911 122.411 120.570 -0.116 0.000 2.562 710 I HA 0.306 4.476 4.170 -0.000 0.000 0.301 710 I C -0.597 175.484 176.117 -0.060 0.000 1.003 710 I CA -1.140 60.102 61.300 -0.097 0.000 1.127 710 I CB 1.837 39.789 38.000 -0.080 0.000 1.304 710 I HN 0.791 nan 8.210 nan 0.000 0.446 711 N N 5.170 123.843 118.700 -0.044 0.000 2.651 711 N HA 0.581 5.321 4.740 -0.000 0.000 0.277 711 N C -1.160 174.340 175.510 -0.017 0.000 1.787 711 N CA -0.397 52.637 53.050 -0.028 0.000 0.818 711 N CB 1.731 40.204 38.487 -0.024 0.000 1.316 711 N HN 0.644 nan 8.380 nan 0.000 0.503 712 A N 0.071 122.881 122.820 -0.016 0.000 2.586 712 A HA 0.664 4.984 4.320 -0.000 0.000 0.298 712 A C -1.153 176.426 177.584 -0.007 0.000 1.013 712 A CA -0.396 51.637 52.037 -0.007 0.000 0.707 712 A CB 0.528 19.526 19.000 -0.002 0.000 1.276 712 A HN 0.547 nan 8.150 nan 0.000 0.414 713 S N 0.383 116.081 115.700 -0.003 0.000 2.705 713 S HA 0.937 5.407 4.470 -0.000 0.000 0.280 713 S C 0.381 174.983 174.600 0.003 0.000 1.174 713 S CA -0.234 57.965 58.200 -0.002 0.000 0.823 713 S CB 0.818 64.016 63.200 -0.005 0.000 1.162 713 S HN 2.553 nan 8.310 nan 0.000 0.487 714 A N -0.089 122.733 122.820 0.004 0.000 2.614 714 A HA 0.432 4.752 4.320 -0.000 0.000 0.231 714 A C 1.730 179.318 177.584 0.007 0.000 1.076 714 A CA 0.797 52.839 52.037 0.007 0.000 0.767 714 A CB -1.580 17.424 19.000 0.008 0.000 1.012 714 A HN 2.659 nan 8.150 nan 0.000 0.512 715 G N 0.867 109.672 108.800 0.009 0.000 2.322 715 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.264 715 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.264 715 G C 0.377 175.282 174.900 0.007 0.000 0.992 715 G CA 0.899 46.004 45.100 0.008 0.000 0.624 715 G HN 1.052 nan 8.290 nan 0.000 0.543 716 N N 0.752 119.456 118.700 0.007 0.000 2.416 716 N HA 0.481 5.221 4.740 -0.000 0.000 0.246 716 N C -0.150 175.365 175.510 0.008 0.000 1.260 716 N CA 0.878 53.932 53.050 0.006 0.000 0.897 716 N CB 0.833 39.323 38.487 0.005 0.000 1.110 716 N HN 0.231 nan 8.380 nan 0.000 0.439 717 S N 0.986 116.691 115.700 0.008 0.000 2.745 717 S HA 0.445 4.915 4.470 -0.000 0.000 0.283 717 S C -0.659 173.947 174.600 0.009 0.000 1.170 717 S CA -0.820 57.385 58.200 0.009 0.000 1.119 717 S CB -0.056 63.148 63.200 0.008 0.000 1.035 717 S HN 0.394 nan 8.310 nan 0.000 0.483 718 L N 0.940 122.169 121.223 0.010 0.000 2.334 718 L HA 1.025 5.365 4.340 -0.000 0.000 0.273 718 L C 0.346 177.224 176.870 0.012 0.000 1.013 718 L CA -1.176 53.671 54.840 0.011 0.000 0.816 718 L CB 1.049 43.116 42.059 0.012 0.000 1.278 718 L HN 0.540 nan 8.230 nan 0.000 0.431 719 A N 2.051 124.877 122.820 0.011 0.000 2.275 719 A HA 0.593 4.913 4.320 -0.000 0.000 0.282 719 A C 0.254 177.846 177.584 0.013 0.000 1.275 719 A CA -0.432 51.612 52.037 0.011 0.000 0.842 719 A CB 0.673 19.679 19.000 0.010 0.000 1.280 719 A HN 0.582 nan 8.150 nan 0.000 0.508 720 V N -0.224 119.698 119.914 0.013 0.000 3.376 720 V HA 0.143 4.263 4.120 -0.000 0.000 0.303 720 V C 0.953 177.056 176.094 0.015 0.000 1.100 720 V CA 1.499 63.807 62.300 0.014 0.000 1.126 720 V CB 0.257 32.088 31.823 0.013 0.000 1.085 720 V HN 1.026 nan 8.190 nan 0.000 0.480 721 D N 0.280 120.691 120.400 0.017 0.000 2.601 721 D HA -0.180 4.460 4.640 -0.000 0.000 0.180 721 D C 0.309 176.621 176.300 0.020 0.000 1.213 721 D CA 1.744 55.755 54.000 0.019 0.000 1.112 721 D CB -0.958 39.851 40.800 0.016 0.000 1.132 721 D HN 0.832 nan 8.370 nan 0.000 0.418 722 D N 0.628 121.038 120.400 0.017 0.000 2.502 722 D HA 0.098 4.738 4.640 -0.000 0.000 0.249 722 D C 0.272 176.584 176.300 0.020 0.000 1.188 722 D CA 0.123 54.133 54.000 0.016 0.000 0.890 722 D CB 0.505 41.313 40.800 0.013 0.000 1.140 722 D HN -0.026 nan 8.370 nan 0.000 0.505 723 V N 4.622 124.548 119.914 0.020 0.000 2.475 723 V HA -0.076 4.044 4.120 -0.000 0.000 0.292 723 V C 1.754 177.859 176.094 0.018 0.000 1.003 723 V CA 0.322 62.637 62.300 0.025 0.000 1.120 723 V CB 0.161 31.997 31.823 0.021 0.000 0.937 723 V HN 0.495 nan 8.190 nan 0.000 0.476 724 I N 4.132 124.718 120.570 0.028 0.000 2.494 724 I HA 0.073 4.243 4.170 -0.000 0.000 0.250 724 I C 0.885 176.997 176.117 -0.008 0.000 1.112 724 I CA 1.213 62.524 61.300 0.017 0.000 1.438 724 I CB 0.070 38.091 38.000 0.035 0.000 1.111 724 I HN 0.519 nan 8.210 nan 0.000 0.431 725 M N -0.917 118.677 119.600 -0.009 0.000 2.683 725 M HA 0.404 4.884 4.480 -0.000 0.000 0.274 725 M C -1.353 174.880 176.300 -0.110 0.000 1.272 725 M CA -0.550 54.683 55.300 -0.112 0.000 0.833 725 M CB 3.186 35.667 32.600 -0.199 0.000 1.708 725 M HN -0.167 nan 8.290 nan 0.000 0.463 726 E N 0.546 120.589 120.200 -0.261 0.000 2.317 726 E HA 0.642 4.992 4.350 -0.000 0.000 0.270 726 E C -1.855 174.527 176.600 -0.364 0.000 0.885 726 E CA -0.555 55.760 56.400 -0.141 0.000 0.760 726 E CB 2.913 32.570 29.700 -0.071 0.000 1.227 726 E HN 0.333 nan 8.360 nan 0.000 0.434 727 F N 1.232 121.185 119.950 0.005 0.000 2.532 727 F HA 0.180 4.707 4.527 -0.000 0.000 0.321 727 F C 0.952 176.755 175.800 0.005 0.000 1.089 727 F CA -0.903 57.100 58.000 0.005 0.000 0.926 727 F CB 1.485 40.488 39.000 0.006 0.000 1.168 727 F HN 0.382 nan 8.300 nan 0.000 0.459 728 E N 0.000 120.292 120.200 0.153 0.000 2.725 728 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 728 E CA 0.000 56.455 56.400 0.092 0.000 0.976 728 E CB 0.000 29.735 29.700 0.058 0.000 0.812 728 E HN 0.000 nan 8.360 nan 0.000 0.440