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 3lpo_1_C DATA FIRST_RESID 29 DATA SEQUENCE KcPNVLNDPV NVRINcIPEQ FPTEGIcAQR GccWRPWNDS LIPWcFFVDN DATA SEQUENCE HGYNVQDMTT TSIGVEAKLN RIPSPTLFGN DINSVLFTTQ NQTPNRFRFK DATA SEQUENCE ITDPNNRRYE VPHQYVKEFT GPTVSDTLYD VKVAQNPFSI QVIRKSNGKT DATA SEQUENCE LFDTSIGPLV YSDQYLQISA RLPSDYIYGI GEQVHKRFRH DLSWKTWPIF DATA SEQUENCE TRDQLPGDNN NNLYGHQTFF MCIEDTSGKS FGVFLMNSNA MEIFIQPTPI DATA SEQUENCE VTYRVTGGIL DFYILLGDTP EQVVQQYQQL VGLPAMPAYW NLGFQLSRWN DATA SEQUENCE YKSLDVVKEV VRRNREAGIP FDTQVTDIDY MEDKKDFTYD QVAFNGLPQF DATA SEQUENCE VQDLHDHGQK YVIILDPAIS IGRRANGTTY ATYERGNTQH VWINESDGST DATA SEQUENCE PIIGEVWPGL TVYPDFTNPN CIDWWANECS IFHQEVQYDG LWIDMNEVSS DATA SEQUENCE FIQGSTKGCN VNKLNYPPFT PDILDKLMYS KTICMDAVQN WGKQYDVHSL DATA SEQUENCE YGYSMAIATE QAVQKVFPNK RSFILTRSTF AGSGRHAAHW LGDNTASWEQ DATA SEQUENCE MEWSITGMLE FSLFGIPLVG ADIcGFVAET TEELcRRWMQ LGAFYPFSRN DATA SEQUENCE HNSDGYEHQD PAFFGQNSLL VKSSRQYLTI RYTLLPFLYT LFYKAHVFGE DATA SEQUENCE TVARPVLHEF YEDTNSWIED TEFLWGPALL ITPVLKQGAD TVSAYIPDAI DATA SEQUENCE WYDYESGAKR PWRKQRVDMY LPADKIGLHL RGGYIIPIQE PDVTTTASRK DATA SEQUENCE NPLGLIVALG ENNTAKGDFF WDDGETKDTI QNGNYILYTF SVSNNTLDIV DATA SEQUENCE CTHSSYQEGT TLAFQTVKIL GLTDSVTEVR VAENNQPMNA HSNFTYDASN DATA SEQUENCE QVLLIADLKL NLGRNFSVQW 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 29 K HA 0.000 nan 4.320 nan 0.000 0.191 29 K C 0.000 176.590 176.600 -0.017 0.000 0.988 29 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 29 K CB 0.000 32.503 32.500 0.005 0.000 1.064 30 c N 2.365 120.962 118.600 -0.006 0.000 2.771 30 c HA 0.761 5.331 4.570 -0.001 0.000 0.333 30 c C -2.082 172.042 174.090 0.056 0.000 1.267 30 c CA -1.464 54.866 56.329 0.002 0.000 1.721 30 c CB 1.126 43.633 42.510 -0.006 0.000 2.222 30 c HN 0.881 nan 8.230 nan 0.000 0.485 31 P HA 0.184 nan 4.420 nan 0.000 0.266 31 P C 0.509 177.850 177.300 0.068 0.000 1.195 31 P CA 0.618 63.777 63.100 0.099 0.000 0.768 31 P CB 0.243 32.023 31.700 0.134 0.000 0.838 32 N N 2.704 121.434 118.700 0.050 0.000 2.069 32 N HA -0.116 4.624 4.740 -0.001 0.000 0.191 32 N C 1.069 176.602 175.510 0.038 0.000 1.031 32 N CA 1.356 54.428 53.050 0.037 0.000 0.852 32 N CB -0.779 37.725 38.487 0.028 0.000 1.018 32 N HN 0.465 nan 8.380 nan 0.000 0.423 33 V N 0.931 120.869 119.914 0.040 0.000 2.617 33 V HA 0.401 4.521 4.120 -0.001 0.000 0.304 33 V C 2.035 178.160 176.094 0.052 0.000 1.040 33 V CA 0.656 62.980 62.300 0.040 0.000 1.149 33 V CB 0.236 32.080 31.823 0.035 0.000 0.914 33 V HN 0.730 nan 8.190 nan 0.000 0.487 34 L N 4.707 125.958 121.223 0.047 0.000 1.988 34 L HA 0.077 4.417 4.340 -0.001 0.000 0.207 34 L C 2.018 178.931 176.870 0.072 0.000 1.071 34 L CA 2.352 57.224 54.840 0.054 0.000 0.744 34 L CB -2.079 40.004 42.059 0.039 0.000 0.893 34 L HN 1.083 nan 8.230 nan 0.000 0.433 35 N N 1.785 120.525 118.700 0.066 0.000 3.303 35 N HA 0.326 5.066 4.740 -0.001 0.000 0.304 35 N C 0.371 175.925 175.510 0.073 0.000 1.302 35 N CA 0.147 53.251 53.050 0.089 0.000 1.213 35 N CB -1.215 37.320 38.487 0.081 0.000 1.481 35 N HN 0.927 nan 8.380 nan 0.000 0.546 36 D N 0.161 120.597 120.400 0.059 0.000 2.362 36 D HA 0.085 4.725 4.640 -0.001 0.000 0.238 36 D C -2.332 173.942 176.300 -0.043 0.000 1.212 36 D CA -0.756 53.254 54.000 0.016 0.000 0.902 36 D CB 0.674 41.492 40.800 0.030 0.000 1.180 36 D HN 0.254 nan 8.370 nan 0.000 0.445 37 P HA 0.061 nan 4.420 nan 0.000 0.287 37 P C 1.026 178.208 177.300 -0.195 0.000 1.294 37 P CA -0.566 62.475 63.100 -0.097 0.000 0.776 37 P CB 1.530 33.196 31.700 -0.057 0.000 0.889 38 V N 0.933 120.687 119.914 -0.266 0.000 2.719 38 V HA -0.107 4.012 4.120 -0.001 0.000 0.252 38 V C 1.458 177.435 176.094 -0.195 0.000 1.065 38 V CA 1.173 63.221 62.300 -0.420 0.000 1.086 38 V CB -1.454 29.913 31.823 -0.759 0.000 0.700 38 V HN 0.370 nan 8.190 nan 0.000 0.467 39 N N 0.390 119.041 118.700 -0.081 0.000 2.573 39 N HA 0.020 4.760 4.740 -0.001 0.000 0.187 39 N C 1.157 176.623 175.510 -0.073 0.000 1.107 39 N CA 0.830 53.870 53.050 -0.017 0.000 0.918 39 N CB 0.269 38.717 38.487 -0.064 0.000 0.966 39 N HN 0.429 nan 8.380 nan 0.000 0.448 40 V N 0.654 120.514 119.914 -0.090 0.000 3.578 40 V HA 0.108 4.228 4.120 -0.001 0.000 0.290 40 V C 0.488 176.538 176.094 -0.072 0.000 1.376 40 V CA 0.046 62.300 62.300 -0.077 0.000 1.083 40 V CB -0.068 31.714 31.823 -0.069 0.000 0.911 40 V HN 0.148 nan 8.190 nan 0.000 0.433 41 R N 0.682 121.092 120.500 -0.150 0.000 2.370 41 R HA 0.300 4.640 4.340 -0.001 0.000 0.309 41 R C -0.799 175.522 176.300 0.034 0.000 1.059 41 R CA -0.147 55.799 56.100 -0.256 0.000 0.981 41 R CB 0.629 30.491 30.300 -0.729 0.000 0.972 41 R HN 0.131 nan 8.270 nan 0.000 0.437 42 I N 3.255 123.932 120.570 0.178 0.000 2.304 42 I HA 0.012 4.182 4.170 -0.001 0.000 0.291 42 I C 0.357 176.621 176.117 0.244 0.000 1.018 42 I CA -0.440 61.018 61.300 0.263 0.000 1.260 42 I CB 0.800 39.003 38.000 0.337 0.000 1.390 42 I HN 0.437 nan 8.210 nan 0.000 0.475 43 N N 4.869 123.626 118.700 0.095 0.000 2.411 43 N HA -0.102 4.638 4.740 -0.001 0.000 0.261 43 N C 0.772 176.128 175.510 -0.256 0.000 1.248 43 N CA 0.367 53.377 53.050 -0.067 0.000 0.885 43 N CB 0.745 39.137 38.487 -0.158 0.000 1.062 43 N HN 0.806 nan 8.380 nan 0.000 0.471 44 c N 4.374 122.657 118.600 -0.529 0.000 2.735 44 c HA 0.393 4.963 4.570 -0.001 0.000 0.271 44 c C 0.771 174.590 174.090 -0.453 0.000 1.281 44 c CA -0.230 55.510 56.329 -0.980 0.000 1.719 44 c CB -0.723 41.137 42.510 -1.084 0.000 2.024 44 c HN 0.686 nan 8.230 nan 0.000 0.566 45 I N 2.474 122.889 120.570 -0.259 0.000 2.621 45 I HA 0.288 4.458 4.170 -0.001 0.000 0.276 45 I C -1.877 174.182 176.117 -0.096 0.000 1.118 45 I CA -1.102 60.104 61.300 -0.156 0.000 1.159 45 I CB 1.301 39.228 38.000 -0.121 0.000 1.357 45 I HN 0.101 nan 8.210 nan 0.000 0.513 46 P HA 0.092 nan 4.420 nan 0.000 0.261 46 P C 0.298 177.670 177.300 0.120 0.000 1.268 46 P CA 0.523 63.623 63.100 0.000 0.000 0.833 46 P CB 0.318 32.035 31.700 0.027 0.000 1.231 47 E N -1.221 119.079 120.200 0.168 0.000 2.630 47 E HA 0.219 4.569 4.350 -0.001 0.000 0.218 47 E C 0.450 177.124 176.600 0.123 0.000 0.977 47 E CA -0.367 56.161 56.400 0.213 0.000 1.038 47 E CB 0.350 30.281 29.700 0.385 0.000 1.051 47 E HN 0.132 nan 8.360 nan 0.000 0.487 48 Q N 0.032 119.880 119.800 0.079 0.000 2.594 48 Q HA 0.255 4.595 4.340 -0.001 0.000 0.278 48 Q C -1.504 174.536 176.000 0.067 0.000 0.961 48 Q CA -0.972 54.879 55.803 0.080 0.000 0.844 48 Q CB 0.996 29.780 28.738 0.077 0.000 1.475 48 Q HN 0.132 nan 8.270 nan 0.000 0.389 49 F N 3.807 123.730 119.950 -0.045 0.000 2.578 49 F HA 0.293 4.820 4.527 -0.001 0.000 0.381 49 F C -1.995 173.784 175.800 -0.034 0.000 1.069 49 F CA -1.099 56.854 58.000 -0.078 0.000 1.231 49 F CB 0.638 39.602 39.000 -0.060 0.000 1.086 49 F HN 0.332 nan 8.300 nan 0.000 0.564 50 P HA 0.129 nan 4.420 nan 0.000 0.264 50 P C -1.030 176.197 177.300 -0.123 0.000 1.193 50 P CA 0.089 63.005 63.100 -0.308 0.000 0.763 50 P CB 0.534 32.050 31.700 -0.306 0.000 0.810 51 T N -1.572 112.965 114.554 -0.028 0.000 2.900 51 T HA 0.274 4.624 4.350 -0.001 0.000 0.295 51 T C 0.900 175.144 174.700 -0.761 0.000 1.044 51 T CA -0.808 61.175 62.100 -0.196 0.000 0.995 51 T CB 1.897 70.703 68.868 -0.103 0.000 1.072 51 T HN 0.416 nan 8.240 nan 0.000 0.473 52 E N 1.685 121.093 120.200 -1.320 0.000 2.118 52 E HA -0.122 4.228 4.350 -0.001 0.000 0.195 52 E C 1.975 178.115 176.600 -0.765 0.000 0.992 52 E CA 1.707 57.080 56.400 -1.712 0.000 0.804 52 E CB -0.785 28.069 29.700 -1.409 0.000 0.741 52 E HN 0.892 nan 8.360 nan 0.000 0.458 53 G N 1.093 109.616 108.800 -0.462 0.000 2.404 53 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.215 53 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.215 53 G C 1.594 176.366 174.900 -0.213 0.000 1.174 53 G CA 0.676 45.613 45.100 -0.271 0.000 0.780 53 G HN 0.254 nan 8.290 nan 0.000 0.537 54 I N -0.044 120.405 120.570 -0.201 0.000 2.353 54 I HA -0.121 4.049 4.170 -0.001 0.000 0.248 54 I C 2.840 178.868 176.117 -0.148 0.000 1.119 54 I CA 0.226 61.437 61.300 -0.149 0.000 1.417 54 I CB -0.158 37.771 38.000 -0.118 0.000 1.078 54 I HN 0.297 nan 8.210 nan 0.000 0.421 55 c N 0.798 119.297 118.600 -0.168 0.000 2.388 55 c HA -0.258 4.312 4.570 -0.001 0.000 0.277 55 c C 3.213 177.247 174.090 -0.094 0.000 1.210 55 c CA 1.466 57.741 56.329 -0.091 0.000 1.743 55 c CB -1.014 41.517 42.510 0.035 0.000 2.047 55 c HN 0.590 nan 8.230 nan 0.000 0.458 56 A N -0.905 121.834 122.820 -0.135 0.000 1.908 56 A HA -0.276 4.044 4.320 -0.001 0.000 0.218 56 A C 2.208 179.746 177.584 -0.077 0.000 1.181 56 A CA 1.999 53.977 52.037 -0.100 0.000 0.627 56 A CB -1.002 17.921 19.000 -0.128 0.000 0.818 56 A HN 0.831 nan 8.150 nan 0.000 0.445 57 Q N -0.707 119.038 119.800 -0.091 0.000 2.226 57 Q HA -0.135 4.204 4.340 -0.001 0.000 0.204 57 Q C 1.835 177.805 176.000 -0.051 0.000 0.975 57 Q CA 1.303 57.062 55.803 -0.072 0.000 0.866 57 Q CB -0.017 28.670 28.738 -0.084 0.000 0.915 57 Q HN 0.672 nan 8.270 nan 0.000 0.440 58 R N -1.445 119.026 120.500 -0.049 0.000 2.334 58 R HA 0.110 4.450 4.340 -0.001 0.000 0.216 58 R C 0.734 177.101 176.300 0.111 0.000 0.905 58 R CA 0.496 56.599 56.100 0.005 0.000 1.064 58 R CB 0.605 30.858 30.300 -0.078 0.000 1.046 58 R HN 0.333 nan 8.270 nan 0.000 0.508 59 G N 1.267 110.092 108.800 0.041 0.000 2.246 59 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.273 59 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.273 59 G C 0.061 175.017 174.900 0.093 0.000 1.055 59 G CA 0.075 45.205 45.100 0.050 0.000 0.851 59 G HN 0.329 nan 8.290 nan 0.000 0.500 60 c N -1.252 117.362 118.600 0.022 0.000 2.451 60 c HA 0.802 5.372 4.570 -0.001 0.000 0.391 60 c C 1.281 175.301 174.090 -0.117 0.000 1.286 60 c CA -0.342 55.956 56.329 -0.052 0.000 1.935 60 c CB 1.634 44.032 42.510 -0.185 0.000 2.188 60 c HN 0.919 nan 8.230 nan 0.000 0.523 61 c N 2.547 120.966 118.600 -0.301 0.000 2.347 61 c HA 0.523 5.093 4.570 -0.001 0.000 0.353 61 c C -0.264 173.603 174.090 -0.371 0.000 1.273 61 c CA -0.470 55.616 56.329 -0.404 0.000 1.861 61 c CB -0.916 41.149 42.510 -0.742 0.000 2.420 61 c HN 0.887 nan 8.230 nan 0.000 0.542 62 W N 8.087 129.215 121.300 -0.286 0.000 2.314 62 W HA 0.531 5.190 4.660 -0.000 0.000 0.310 62 W C -0.257 176.218 176.519 -0.073 0.000 1.075 62 W CA -0.576 56.678 57.345 -0.152 0.000 1.253 62 W CB 0.540 29.945 29.460 -0.093 0.000 1.238 62 W HN 0.795 nan 8.180 nan 0.000 0.440 63 R N 7.014 127.156 120.500 -0.595 0.000 3.107 63 R HA 0.220 4.560 4.340 -0.001 0.000 0.251 63 R C -2.644 173.395 176.300 -0.435 0.000 1.818 63 R CA -1.149 54.727 56.100 -0.372 0.000 1.228 63 R CB 1.349 31.663 30.300 0.023 0.000 1.459 63 R HN 0.183 nan 8.270 nan 0.000 0.520 64 P HA 0.077 nan 4.420 nan 0.000 0.271 64 P C -1.036 175.868 177.300 -0.660 0.000 1.244 64 P CA -0.253 62.157 63.100 -1.150 0.000 0.793 64 P CB 0.621 31.539 31.700 -1.303 0.000 0.984 65 W N 0.673 121.286 121.300 -1.147 0.000 3.029 65 W HA 0.169 4.829 4.660 -0.001 0.000 0.339 65 W C 0.928 177.301 176.519 -0.243 0.000 1.198 65 W CA -0.554 56.528 57.345 -0.437 0.000 1.148 65 W CB 1.763 31.136 29.460 -0.146 0.000 1.451 65 W HN 0.329 nan 8.180 nan 0.000 0.564 66 N N 1.185 119.362 118.700 -0.872 0.000 2.112 66 N HA -0.271 4.469 4.740 -0.001 0.000 0.200 66 N C 0.285 175.752 175.510 -0.071 0.000 1.011 66 N CA 2.726 55.446 53.050 -0.550 0.000 0.891 66 N CB -0.347 37.681 38.487 -0.766 0.000 1.060 66 N HN 0.639 nan 8.380 nan 0.000 0.478 67 D N -1.794 118.740 120.400 0.223 0.000 2.654 67 D HA 0.490 5.129 4.640 -0.001 0.000 0.255 67 D C 0.343 176.892 176.300 0.414 0.000 1.101 67 D CA 0.088 54.254 54.000 0.276 0.000 1.116 67 D CB 0.682 41.597 40.800 0.193 0.000 1.348 67 D HN 0.126 nan 8.370 nan 0.000 0.609 68 S N -1.209 114.605 115.700 0.190 0.000 2.602 68 S HA 0.213 4.683 4.470 -0.001 0.000 0.240 68 S C 1.293 175.776 174.600 -0.196 0.000 0.992 68 S CA -0.328 57.866 58.200 -0.011 0.000 0.971 68 S CB -0.301 62.870 63.200 -0.048 0.000 0.855 68 S HN 0.493 nan 8.310 nan 0.000 0.481 69 L N 0.253 121.337 121.223 -0.232 0.000 2.102 69 L HA 0.311 4.651 4.340 -0.001 0.000 0.202 69 L C 0.444 176.683 176.870 -1.052 0.000 1.076 69 L CA 0.584 55.094 54.840 -0.549 0.000 0.761 69 L CB -0.326 41.391 42.059 -0.571 0.000 0.921 69 L HN 0.314 nan 8.230 nan 0.000 0.444 70 I N 0.826 120.876 120.570 -0.867 0.000 2.556 70 I HA 0.066 4.236 4.170 -0.001 0.000 0.284 70 I C -2.019 173.797 176.117 -0.502 0.000 1.114 70 I CA -1.582 59.149 61.300 -0.948 0.000 1.418 70 I CB 0.133 37.643 38.000 -0.817 0.000 1.394 70 I HN -0.173 nan 8.210 nan 0.000 0.552 71 P HA -0.059 nan 4.420 nan 0.000 0.268 71 P C -0.359 176.990 177.300 0.083 0.000 1.204 71 P CA 0.013 62.997 63.100 -0.193 0.000 0.768 71 P CB 0.280 31.923 31.700 -0.094 0.000 0.842 72 W N 1.360 122.548 121.300 -0.186 0.000 2.872 72 W HA 0.208 4.867 4.660 -0.001 0.000 0.266 72 W C 0.421 176.796 176.519 -0.241 0.000 1.276 72 W CA -0.157 57.008 57.345 -0.302 0.000 1.471 72 W CB -0.582 28.535 29.460 -0.572 0.000 1.071 72 W HN 0.250 nan 8.180 nan 0.000 0.619 73 c N 2.646 121.345 118.600 0.164 0.000 2.346 73 c HA 0.707 5.277 4.570 -0.001 0.000 0.326 73 c C -0.697 173.412 174.090 0.032 0.000 1.224 73 c CA -0.911 55.477 56.329 0.098 0.000 1.408 73 c CB -1.392 41.239 42.510 0.201 0.000 2.089 73 c HN 0.093 nan 8.230 nan 0.000 0.456 74 F N 3.184 123.051 119.950 -0.139 0.000 2.591 74 F HA 0.751 5.278 4.527 -0.000 0.000 0.309 74 F C -0.899 174.812 175.800 -0.147 0.000 1.098 74 F CA -1.533 56.346 58.000 -0.201 0.000 0.937 74 F CB 0.500 39.460 39.000 -0.066 0.000 1.250 74 F HN 0.461 nan 8.300 nan 0.000 0.447 75 F N 2.202 122.227 119.950 0.125 0.000 2.506 75 F HA 0.510 5.037 4.527 -0.001 0.000 0.371 75 F C 1.216 177.127 175.800 0.185 0.000 1.078 75 F CA -0.296 57.762 58.000 0.097 0.000 1.195 75 F CB -0.161 38.896 39.000 0.095 0.000 1.099 75 F HN 0.681 nan 8.300 nan 0.000 0.548 76 V N 1.971 122.062 119.914 0.295 0.000 2.320 76 V HA 0.082 4.202 4.120 -0.001 0.000 0.219 76 V C 1.110 177.339 176.094 0.225 0.000 1.055 76 V CA 1.759 64.227 62.300 0.279 0.000 1.054 76 V CB -0.977 30.953 31.823 0.178 0.000 0.671 76 V HN 0.799 nan 8.190 nan 0.000 0.474 77 D N -0.024 120.472 120.400 0.160 0.000 2.963 77 D HA 0.390 5.030 4.640 -0.001 0.000 0.361 77 D C 0.483 176.850 176.300 0.112 0.000 1.317 77 D CA 0.224 54.295 54.000 0.118 0.000 0.832 77 D CB -0.742 40.101 40.800 0.071 0.000 1.135 77 D HN 0.648 nan 8.370 nan 0.000 0.476 78 N N -0.779 118.033 118.700 0.187 0.000 2.348 78 N HA 0.067 4.807 4.740 -0.001 0.000 0.183 78 N C -0.373 175.175 175.510 0.064 0.000 1.094 78 N CA 0.219 53.352 53.050 0.139 0.000 0.885 78 N CB 0.753 39.349 38.487 0.182 0.000 1.065 78 N HN 0.458 nan 8.380 nan 0.000 0.472 79 H N -0.565 118.550 119.070 0.076 0.000 2.670 79 H HA 0.729 5.285 4.556 -0.001 0.000 0.361 79 H C 0.636 175.948 175.328 -0.026 0.000 1.169 79 H CA 0.144 56.199 56.048 0.013 0.000 1.198 79 H CB 2.085 31.848 29.762 0.001 0.000 1.700 79 H HN 0.192 nan 8.280 nan 0.000 0.542 80 G N -0.330 108.524 108.800 0.089 0.000 2.350 80 G HA2 0.153 4.112 3.960 -0.001 0.000 0.282 80 G HA3 0.153 4.112 3.960 -0.001 0.000 0.282 80 G C -2.214 172.723 174.900 0.062 0.000 1.314 80 G CA -0.901 44.291 45.100 0.153 0.000 0.915 80 G HN 0.380 nan 8.290 nan 0.000 0.499 81 Y N 0.191 120.537 120.300 0.077 0.000 2.545 81 Y HA 0.668 5.218 4.550 -0.001 0.000 0.348 81 Y C 0.167 176.107 175.900 0.067 0.000 1.002 81 Y CA -1.078 57.049 58.100 0.044 0.000 1.039 81 Y CB 2.437 40.889 38.460 -0.013 0.000 1.271 81 Y HN 0.508 nan 8.280 nan 0.000 0.467 82 N N 0.561 119.354 118.700 0.155 0.000 2.370 82 N HA 0.418 5.158 4.740 -0.001 0.000 0.303 82 N C -1.229 174.337 175.510 0.093 0.000 1.103 82 N CA -0.652 52.466 53.050 0.114 0.000 0.848 82 N CB 2.558 41.075 38.487 0.050 0.000 1.235 82 N HN 0.477 nan 8.380 nan 0.000 0.496 83 V N 1.304 121.272 119.914 0.089 0.000 2.530 83 V HA 0.363 4.482 4.120 -0.001 0.000 0.282 83 V C -0.657 175.459 176.094 0.037 0.000 1.048 83 V CA -0.091 62.239 62.300 0.050 0.000 0.997 83 V CB 0.452 32.316 31.823 0.070 0.000 0.987 83 V HN 0.749 nan 8.190 nan 0.000 0.477 84 Q N 3.150 122.966 119.800 0.025 0.000 2.303 84 Q HA 0.664 5.004 4.340 -0.001 0.000 0.267 84 Q C -0.408 175.603 176.000 0.019 0.000 1.011 84 Q CA 0.278 56.094 55.803 0.021 0.000 0.740 84 Q CB 1.025 29.772 28.738 0.015 0.000 1.250 84 Q HN 1.829 nan 8.270 nan 0.000 0.458 85 D N 2.009 122.423 120.400 0.022 0.000 7.496 85 D HA 0.107 4.747 4.640 -0.001 0.000 0.252 85 D C -0.495 175.826 176.300 0.035 0.000 2.088 85 D CA 0.769 54.783 54.000 0.024 0.000 1.915 85 D CB -1.605 39.206 40.800 0.018 0.000 0.793 85 D HN 1.220 nan 8.370 nan 0.000 0.499 86 M N 0.422 120.048 119.600 0.043 0.000 2.446 86 M HA 0.843 5.323 4.480 -0.001 0.000 0.294 86 M C 0.034 176.367 176.300 0.054 0.000 1.158 86 M CA 0.103 55.440 55.300 0.062 0.000 0.899 86 M CB 2.515 35.169 32.600 0.091 0.000 1.687 86 M HN 1.189 nan 8.290 nan 0.000 0.455 87 T N -0.904 113.683 114.554 0.055 0.000 2.910 87 T HA 0.776 5.126 4.350 -0.001 0.000 0.287 87 T C -0.406 174.325 174.700 0.051 0.000 1.050 87 T CA -0.667 61.459 62.100 0.043 0.000 1.011 87 T CB 1.829 70.715 68.868 0.030 0.000 1.195 87 T HN 0.736 nan 8.240 nan 0.000 0.540 88 T N 2.075 116.654 114.554 0.042 0.000 2.829 88 T HA 0.654 5.004 4.350 -0.001 0.000 0.282 88 T C 0.472 175.194 174.700 0.036 0.000 0.990 88 T CA -0.633 61.494 62.100 0.045 0.000 1.028 88 T CB 1.261 70.154 68.868 0.041 0.000 0.951 88 T HN 1.027 nan 8.240 nan 0.000 0.460 89 T N -1.494 113.083 114.554 0.039 0.000 2.919 89 T HA 0.417 4.767 4.350 -0.001 0.000 0.282 89 T C 1.688 176.412 174.700 0.040 0.000 1.020 89 T CA -0.248 61.870 62.100 0.031 0.000 0.994 89 T CB 1.038 69.920 68.868 0.023 0.000 1.180 89 T HN 0.408 nan 8.240 nan 0.000 0.566 90 S N 0.264 115.984 115.700 0.033 0.000 2.399 90 S HA -0.084 4.386 4.470 -0.001 0.000 0.231 90 S C 1.771 176.414 174.600 0.071 0.000 1.022 90 S CA 1.118 59.342 58.200 0.039 0.000 0.983 90 S CB -0.868 62.343 63.200 0.019 0.000 0.803 90 S HN 0.644 nan 8.310 nan 0.000 0.480 91 I N 1.011 121.634 120.570 0.089 0.000 2.867 91 I HA 0.400 4.570 4.170 -0.001 0.000 0.265 91 I C 1.681 177.891 176.117 0.155 0.000 1.162 91 I CA 0.778 62.174 61.300 0.160 0.000 1.471 91 I CB -0.254 37.866 38.000 0.199 0.000 1.123 91 I HN 0.514 nan 8.210 nan 0.000 0.440 92 G N -0.446 108.421 108.800 0.111 0.000 3.074 92 G HA2 0.502 4.462 3.960 -0.001 0.000 0.127 92 G HA3 0.502 4.462 3.960 -0.001 0.000 0.127 92 G C -1.356 173.600 174.900 0.093 0.000 1.216 92 G CA -0.112 45.062 45.100 0.124 0.000 1.390 92 G HN -0.197 nan 8.290 nan 0.000 0.676 93 V N 0.819 120.779 119.914 0.077 0.000 2.668 93 V HA 0.596 4.716 4.120 -0.001 0.000 0.304 93 V C -0.973 175.141 176.094 0.033 0.000 1.071 93 V CA -0.674 61.678 62.300 0.087 0.000 0.894 93 V CB 1.731 33.657 31.823 0.172 0.000 1.008 93 V HN 0.537 nan 8.190 nan 0.000 0.425 94 E N 1.841 122.067 120.200 0.043 0.000 2.204 94 E HA 0.852 5.202 4.350 -0.001 0.000 0.276 94 E C -0.160 176.503 176.600 0.105 0.000 0.974 94 E CA -0.258 56.159 56.400 0.028 0.000 0.815 94 E CB 2.236 31.937 29.700 0.002 0.000 1.119 94 E HN 1.194 nan 8.360 nan 0.000 0.393 95 A N 0.958 123.862 122.820 0.140 0.000 2.437 95 A HA 0.700 5.019 4.320 -0.001 0.000 0.293 95 A C -0.197 177.416 177.584 0.048 0.000 1.038 95 A CA -0.612 51.506 52.037 0.136 0.000 0.708 95 A CB 1.243 20.384 19.000 0.235 0.000 1.251 95 A HN 0.666 nan 8.150 nan 0.000 0.409 96 K N 2.160 122.568 120.400 0.013 0.000 2.234 96 K HA 0.721 5.041 4.320 -0.001 0.000 0.282 96 K C -0.717 175.863 176.600 -0.034 0.000 1.039 96 K CA -0.125 56.152 56.287 -0.018 0.000 0.928 96 K CB 0.279 32.777 32.500 -0.005 0.000 1.039 96 K HN 0.734 nan 8.250 nan 0.000 0.470 97 L N 2.156 123.340 121.223 -0.065 0.000 2.346 97 L HA 0.486 4.825 4.340 -0.001 0.000 0.274 97 L C -0.080 176.859 176.870 0.115 0.000 1.007 97 L CA -0.995 53.825 54.840 -0.033 0.000 0.818 97 L CB 2.305 44.228 42.059 -0.227 0.000 1.284 97 L HN 0.841 nan 8.230 nan 0.000 0.424 98 N N 1.034 119.826 118.700 0.153 0.000 2.314 98 N HA 0.378 5.118 4.740 -0.001 0.000 0.294 98 N C -0.936 174.530 175.510 -0.073 0.000 1.029 98 N CA -0.936 52.170 53.050 0.094 0.000 0.845 98 N CB 2.216 40.714 38.487 0.018 0.000 1.321 98 N HN 0.450 nan 8.380 nan 0.000 0.481 99 R N 3.071 123.369 120.500 -0.336 0.000 2.404 99 R HA 0.139 4.478 4.340 -0.001 0.000 0.315 99 R C -0.381 175.685 176.300 -0.390 0.000 1.032 99 R CA -0.147 55.462 56.100 -0.818 0.000 0.992 99 R CB -0.002 29.906 30.300 -0.654 0.000 0.959 99 R HN 0.519 nan 8.270 nan 0.000 0.428 100 I N 8.238 128.601 120.570 -0.344 0.000 2.742 100 I HA 0.004 4.174 4.170 -0.001 0.000 0.287 100 I C -1.470 174.523 176.117 -0.206 0.000 1.186 100 I CA -1.407 59.776 61.300 -0.195 0.000 1.417 100 I CB 0.695 38.613 38.000 -0.138 0.000 1.377 100 I HN 0.569 nan 8.210 nan 0.000 0.556 101 P HA 0.066 nan 4.420 nan 0.000 0.218 101 P C -0.159 177.052 177.300 -0.148 0.000 1.793 101 P CA -0.330 62.690 63.100 -0.135 0.000 0.941 101 P CB -0.415 31.230 31.700 -0.090 0.000 1.919 102 S N 0.770 116.332 115.700 -0.230 0.000 2.626 102 S HA 0.487 4.957 4.470 -0.001 0.000 0.257 102 S C -2.109 172.384 174.600 -0.178 0.000 1.288 102 S CA -1.078 56.943 58.200 -0.299 0.000 0.980 102 S CB -0.993 61.760 63.200 -0.745 0.000 0.975 102 S HN 0.078 nan 8.310 nan 0.000 0.577 103 P HA 0.288 nan 4.420 nan 0.000 0.274 103 P C -0.039 177.306 177.300 0.075 0.000 1.246 103 P CA -0.436 62.658 63.100 -0.010 0.000 0.795 103 P CB 0.077 31.780 31.700 0.006 0.000 1.006 104 T N 0.307 114.894 114.554 0.055 0.000 2.860 104 T HA 0.140 4.489 4.350 -0.001 0.000 0.299 104 T C 1.114 175.825 174.700 0.017 0.000 1.045 104 T CA -0.085 62.059 62.100 0.074 0.000 1.071 104 T CB -0.030 68.868 68.868 0.050 0.000 0.985 104 T HN 0.118 nan 8.240 nan 0.000 0.537 105 L N 2.229 123.433 121.223 -0.030 0.000 2.194 105 L HA 0.407 4.747 4.340 -0.001 0.000 0.197 105 L C 1.137 177.632 176.870 -0.625 0.000 1.106 105 L CA 1.369 55.983 54.840 -0.377 0.000 0.785 105 L CB -0.121 41.710 42.059 -0.380 0.000 0.960 105 L HN 0.730 nan 8.230 nan 0.000 0.465 106 F N -0.349 119.591 119.950 -0.017 0.000 2.698 106 F HA 0.541 5.068 4.527 -0.001 0.000 0.304 106 F C 0.936 176.775 175.800 0.065 0.000 1.108 106 F CA -0.001 58.006 58.000 0.011 0.000 1.263 106 F CB -0.020 38.981 39.000 0.002 0.000 1.013 106 F HN 0.128 nan 8.300 nan 0.000 0.532 107 G N 0.768 109.664 108.800 0.161 0.000 2.814 107 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.677 107 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.677 107 G C -0.063 174.934 174.900 0.163 0.000 1.429 107 G CA -0.500 44.682 45.100 0.136 0.000 0.868 107 G HN 0.510 nan 8.290 nan 0.000 0.553 108 N N 0.231 119.007 118.700 0.128 0.000 2.714 108 N HA -0.157 4.582 4.740 -0.001 0.000 0.253 108 N C 0.155 175.764 175.510 0.164 0.000 1.024 108 N CA 1.300 54.428 53.050 0.130 0.000 0.726 108 N CB -0.638 37.922 38.487 0.122 0.000 0.908 108 N HN 0.790 nan 8.380 nan 0.000 0.542 109 D N 0.281 120.781 120.400 0.168 0.000 2.354 109 D HA 0.190 4.829 4.640 -0.001 0.000 0.238 109 D C 0.710 177.136 176.300 0.210 0.000 1.250 109 D CA 0.398 54.525 54.000 0.211 0.000 0.911 109 D CB 0.905 41.814 40.800 0.181 0.000 1.163 109 D HN 0.201 nan 8.370 nan 0.000 0.456 110 I N 2.030 122.771 120.570 0.284 0.000 2.382 110 I HA 0.073 4.242 4.170 -0.001 0.000 0.285 110 I C 1.305 177.579 176.117 0.261 0.000 1.007 110 I CA -0.527 60.925 61.300 0.253 0.000 1.142 110 I CB 1.073 39.255 38.000 0.303 0.000 1.289 110 I HN 0.131 nan 8.210 nan 0.000 0.453 111 N N 2.484 121.279 118.700 0.159 0.000 2.270 111 N HA -0.070 4.669 4.740 -0.001 0.000 0.181 111 N C 0.549 176.146 175.510 0.145 0.000 1.016 111 N CA 0.844 53.959 53.050 0.109 0.000 0.870 111 N CB 0.312 38.826 38.487 0.045 0.000 0.979 111 N HN 0.392 nan 8.380 nan 0.000 0.431 112 S N 0.851 116.622 115.700 0.118 0.000 2.566 112 S HA 0.492 4.961 4.470 -0.001 0.000 0.324 112 S C -0.687 173.922 174.600 0.015 0.000 1.081 112 S CA -0.511 57.730 58.200 0.069 0.000 1.105 112 S CB 0.753 63.975 63.200 0.037 0.000 0.981 112 S HN -0.170 nan 8.310 nan 0.000 0.464 113 V N 4.939 124.827 119.914 -0.042 0.000 2.962 113 V HA 0.634 4.754 4.120 -0.001 0.000 0.313 113 V C -0.945 175.021 176.094 -0.213 0.000 1.099 113 V CA -0.920 61.245 62.300 -0.225 0.000 0.971 113 V CB 2.057 33.590 31.823 -0.483 0.000 1.028 113 V HN 0.733 nan 8.190 nan 0.000 0.430 114 L N 3.918 125.007 121.223 -0.223 0.000 2.325 114 L HA 0.663 5.003 4.340 -0.001 0.000 0.281 114 L C -1.119 175.688 176.870 -0.105 0.000 1.004 114 L CA -0.109 54.650 54.840 -0.134 0.000 0.823 114 L CB 1.195 43.198 42.059 -0.093 0.000 1.236 114 L HN 0.570 nan 8.230 nan 0.000 0.415 115 F N 4.346 124.161 119.950 -0.225 0.000 2.408 115 F HA 0.761 5.287 4.527 -0.001 0.000 0.344 115 F C -0.453 175.314 175.800 -0.056 0.000 1.112 115 F CA 0.049 57.948 58.000 -0.168 0.000 1.096 115 F CB 1.382 40.212 39.000 -0.283 0.000 1.129 115 F HN 0.581 nan 8.300 nan 0.000 0.486 116 T N 4.154 118.262 114.554 -0.743 0.000 2.916 116 T HA 0.408 4.757 4.350 -0.001 0.000 0.298 116 T C -0.735 173.567 174.700 -0.664 0.000 1.031 116 T CA -0.643 61.131 62.100 -0.543 0.000 0.993 116 T CB 1.665 70.367 68.868 -0.276 0.000 1.045 116 T HN 0.582 nan 8.240 nan 0.000 0.454 117 T N 3.275 117.575 114.554 -0.423 0.000 2.856 117 T HA 0.560 4.910 4.350 -0.001 0.000 0.283 117 T C -0.901 173.726 174.700 -0.122 0.000 1.008 117 T CA -0.678 61.281 62.100 -0.235 0.000 0.997 117 T CB 1.347 70.263 68.868 0.081 0.000 0.992 117 T HN 0.503 nan 8.240 nan 0.000 0.454 118 Q N 2.486 122.168 119.800 -0.197 0.000 2.275 118 Q HA 0.329 4.669 4.340 -0.001 0.000 0.266 118 Q C -0.917 175.047 176.000 -0.061 0.000 1.002 118 Q CA -0.838 54.912 55.803 -0.089 0.000 0.761 118 Q CB 1.476 30.125 28.738 -0.148 0.000 1.255 118 Q HN 0.464 nan 8.270 nan 0.000 0.446 119 N N 3.238 122.027 118.700 0.149 0.000 2.663 119 N HA 0.029 4.768 4.740 -0.001 0.000 0.250 119 N C 0.341 175.874 175.510 0.037 0.000 1.129 119 N CA 0.267 53.483 53.050 0.277 0.000 0.995 119 N CB 0.871 39.568 38.487 0.350 0.000 1.324 119 N HN 0.605 nan 8.380 nan 0.000 0.512 120 Q N -0.015 119.647 119.800 -0.229 0.000 2.049 120 Q HA -0.044 4.295 4.340 -0.001 0.000 0.198 120 Q C 0.887 176.729 176.000 -0.265 0.000 0.971 120 Q CA 1.029 56.388 55.803 -0.741 0.000 0.833 120 Q CB 0.238 28.520 28.738 -0.759 0.000 0.896 120 Q HN 0.617 nan 8.270 nan 0.000 0.434 121 T N -3.692 110.856 114.554 -0.011 0.000 2.812 121 T HA 0.284 4.634 4.350 -0.001 0.000 0.294 121 T C -2.542 172.267 174.700 0.180 0.000 1.159 121 T CA -1.882 60.266 62.100 0.079 0.000 1.008 121 T CB 1.564 70.462 68.868 0.050 0.000 1.289 121 T HN -0.272 nan 8.240 nan 0.000 0.514 122 P HA 0.128 nan 4.420 nan 0.000 0.231 122 P C 0.751 178.166 177.300 0.191 0.000 1.158 122 P CA 0.748 63.888 63.100 0.068 0.000 0.763 122 P CB 0.053 31.766 31.700 0.021 0.000 0.805 123 N N -1.096 117.750 118.700 0.243 0.000 2.257 123 N HA 0.078 4.818 4.740 -0.001 0.000 0.200 123 N C 0.444 176.082 175.510 0.214 0.000 1.163 123 N CA 0.050 53.237 53.050 0.228 0.000 0.891 123 N CB 0.964 39.522 38.487 0.117 0.000 1.067 123 N HN 0.226 nan 8.380 nan 0.000 0.497 124 R N 0.050 120.659 120.500 0.182 0.000 2.513 124 R HA 0.370 4.709 4.340 -0.001 0.000 0.301 124 R C -1.489 174.755 176.300 -0.093 0.000 0.968 124 R CA -0.649 55.474 56.100 0.038 0.000 0.872 124 R CB 0.944 31.268 30.300 0.040 0.000 1.177 124 R HN -0.204 nan 8.270 nan 0.000 0.444 125 F N 2.973 122.611 119.950 -0.520 0.000 2.425 125 F HA 0.588 5.115 4.527 -0.001 0.000 0.331 125 F C -0.676 174.935 175.800 -0.315 0.000 1.085 125 F CA -1.056 56.580 58.000 -0.606 0.000 1.028 125 F CB 1.589 39.962 39.000 -1.044 0.000 1.177 125 F HN 0.617 nan 8.300 nan 0.000 0.487 126 R N 6.554 126.261 120.500 -1.321 0.000 2.574 126 R HA 0.460 4.800 4.340 -0.001 0.000 0.288 126 R C -2.100 173.457 176.300 -1.240 0.000 1.004 126 R CA -0.565 54.800 56.100 -1.226 0.000 0.895 126 R CB 1.479 31.167 30.300 -1.020 0.000 1.191 126 R HN 0.749 nan 8.270 nan 0.000 0.444 127 F N 1.962 121.314 119.950 -0.997 0.000 2.577 127 F HA 0.689 5.216 4.527 -0.001 0.000 0.318 127 F C -1.395 174.172 175.800 -0.388 0.000 1.065 127 F CA -0.901 56.716 58.000 -0.638 0.000 0.929 127 F CB 1.536 40.370 39.000 -0.276 0.000 1.237 127 F HN 0.487 nan 8.300 nan 0.000 0.468 128 K N 2.587 122.860 120.400 -0.211 0.000 2.532 128 K HA 0.763 5.083 4.320 -0.001 0.000 0.265 128 K C -2.097 174.507 176.600 0.008 0.000 0.948 128 K CA -0.878 55.318 56.287 -0.152 0.000 0.842 128 K CB 2.737 35.085 32.500 -0.253 0.000 1.392 128 K HN 0.847 nan 8.250 nan 0.000 0.436 129 I N 2.345 122.964 120.570 0.082 0.000 2.439 129 I HA 0.286 4.455 4.170 -0.001 0.000 0.285 129 I C -0.561 175.506 176.117 -0.084 0.000 1.021 129 I CA -0.508 60.800 61.300 0.013 0.000 1.091 129 I CB 2.165 40.217 38.000 0.086 0.000 1.242 129 I HN 0.917 nan 8.210 nan 0.000 0.439 130 T N 0.232 114.669 114.554 -0.194 0.000 2.907 130 T HA 0.421 4.771 4.350 -0.001 0.000 0.290 130 T C -0.839 173.738 174.700 -0.206 0.000 1.066 130 T CA -0.845 61.185 62.100 -0.116 0.000 1.012 130 T CB 2.366 71.204 68.868 -0.050 0.000 1.184 130 T HN 0.316 nan 8.240 nan 0.000 0.522 131 D N 1.165 121.540 120.400 -0.040 0.000 2.313 131 D HA 0.406 5.045 4.640 -0.001 0.000 0.239 131 D C -1.614 174.680 176.300 -0.009 0.000 1.142 131 D CA -2.421 51.572 54.000 -0.011 0.000 0.847 131 D CB 1.641 42.508 40.800 0.111 0.000 1.082 131 D HN 0.179 nan 8.370 nan 0.000 0.480 132 P HA 0.003 nan 4.420 nan 0.000 0.220 132 P C 0.354 177.656 177.300 0.002 0.000 1.152 132 P CA 0.625 63.715 63.100 -0.018 0.000 0.812 132 P CB 0.327 32.013 31.700 -0.024 0.000 0.792 133 N N -0.169 118.540 118.700 0.014 0.000 2.322 133 N HA 0.071 4.811 4.740 -0.001 0.000 0.216 133 N C -0.165 175.365 175.510 0.033 0.000 1.144 133 N CA 0.264 53.328 53.050 0.023 0.000 0.830 133 N CB -0.303 38.199 38.487 0.026 0.000 1.034 133 N HN 0.176 nan 8.380 nan 0.000 0.484 134 N N -0.272 118.450 118.700 0.038 0.000 2.827 134 N HA 0.104 4.844 4.740 -0.001 0.000 0.248 134 N C -1.015 174.526 175.510 0.051 0.000 1.074 134 N CA -0.353 52.727 53.050 0.049 0.000 1.042 134 N CB 0.720 39.246 38.487 0.065 0.000 1.684 134 N HN 0.059 nan 8.380 nan 0.000 0.542 135 R N 2.832 123.359 120.500 0.046 0.000 2.291 135 R HA 0.464 4.804 4.340 -0.001 0.000 0.333 135 R C 0.236 176.579 176.300 0.072 0.000 1.082 135 R CA -0.066 56.061 56.100 0.046 0.000 0.948 135 R CB -0.725 29.595 30.300 0.034 0.000 1.009 135 R HN 0.637 nan 8.270 nan 0.000 0.460 136 R N 1.232 121.784 120.500 0.086 0.000 2.577 136 R HA 0.234 4.574 4.340 -0.001 0.000 0.269 136 R C -0.236 176.141 176.300 0.129 0.000 1.084 136 R CA -0.704 55.470 56.100 0.124 0.000 1.163 136 R CB 0.611 31.000 30.300 0.148 0.000 1.100 136 R HN 0.728 nan 8.270 nan 0.000 0.547 137 Y N 1.516 121.847 120.300 0.052 0.000 2.717 137 Y HA -0.072 4.478 4.550 -0.001 0.000 0.330 137 Y C -0.469 175.440 175.900 0.015 0.000 1.217 137 Y CA 0.649 58.772 58.100 0.039 0.000 1.506 137 Y CB 0.469 38.966 38.460 0.061 0.000 1.268 137 Y HN 0.414 nan 8.280 nan 0.000 0.561 138 E N 5.003 124.803 120.200 -0.667 0.000 2.234 138 E HA 0.299 4.649 4.350 -0.001 0.000 0.266 138 E C -1.131 174.879 176.600 -0.982 0.000 0.877 138 E CA -1.201 54.801 56.400 -0.663 0.000 0.758 138 E CB 2.264 31.780 29.700 -0.307 0.000 1.170 138 E HN 0.462 nan 8.360 nan 0.000 0.415 139 V N 4.705 124.141 119.914 -0.796 0.000 2.539 139 V HA -0.016 4.104 4.120 -0.001 0.000 0.300 139 V C -1.653 174.225 176.094 -0.361 0.000 1.019 139 V CA -0.398 61.589 62.300 -0.522 0.000 1.160 139 V CB -0.305 31.418 31.823 -0.167 0.000 0.901 139 V HN 0.582 nan 8.190 nan 0.000 0.481 140 P HA 0.122 nan 4.420 nan 0.000 0.220 140 P C 0.174 177.187 177.300 -0.478 0.000 1.806 140 P CA -0.279 62.526 63.100 -0.492 0.000 0.976 140 P CB -0.098 31.127 31.700 -0.791 0.000 1.952 141 H N 2.163 121.081 119.070 -0.254 0.000 2.913 141 H HA 0.020 4.575 4.556 -0.001 0.000 0.365 141 H C 0.903 176.235 175.328 0.008 0.000 1.155 141 H CA 0.795 56.806 56.048 -0.061 0.000 1.417 141 H CB 1.034 30.812 29.762 0.027 0.000 1.386 141 H HN 0.210 nan 8.280 nan 0.000 0.614 142 Q N 3.132 123.028 119.800 0.160 0.000 2.319 142 Q HA -0.051 4.289 4.340 -0.001 0.000 0.209 142 Q C 0.681 176.890 176.000 0.348 0.000 0.884 142 Q CA 0.435 56.368 55.803 0.216 0.000 0.938 142 Q CB 0.416 29.256 28.738 0.169 0.000 1.098 142 Q HN 0.706 nan 8.270 nan 0.000 0.517 143 Y N -0.588 119.993 120.300 0.468 0.000 2.769 143 Y HA 0.168 4.718 4.550 -0.001 0.000 0.266 143 Y C 0.542 176.488 175.900 0.077 0.000 1.091 143 Y CA -0.085 58.157 58.100 0.237 0.000 1.272 143 Y CB 0.665 39.253 38.460 0.213 0.000 1.469 143 Y HN -0.333 nan 8.280 nan 0.000 0.475 144 V N 4.279 124.301 119.914 0.181 0.000 2.536 144 V HA 0.047 4.166 4.120 -0.001 0.000 0.287 144 V C 0.385 176.446 176.094 -0.055 0.000 0.979 144 V CA 1.040 63.300 62.300 -0.067 0.000 1.161 144 V CB -1.215 30.451 31.823 -0.262 0.000 0.915 144 V HN 0.323 nan 8.190 nan 0.000 0.467 145 K N 3.729 124.069 120.400 -0.100 0.000 2.144 145 K HA 0.651 4.971 4.320 -0.001 0.000 0.270 145 K C 0.479 177.082 176.600 0.005 0.000 1.005 145 K CA 0.080 56.323 56.287 -0.074 0.000 0.932 145 K CB 0.263 32.694 32.500 -0.114 0.000 1.021 145 K HN 1.045 nan 8.250 nan 0.000 0.462 146 E N 0.735 120.937 120.200 0.003 0.000 2.413 146 E HA 0.470 4.820 4.350 -0.001 0.000 0.263 146 E C -0.653 176.000 176.600 0.088 0.000 1.015 146 E CA -0.169 56.251 56.400 0.034 0.000 0.916 146 E CB 0.163 29.858 29.700 -0.008 0.000 0.947 146 E HN 0.765 nan 8.360 nan 0.000 0.440 147 F N 1.813 121.740 119.950 -0.039 0.000 2.469 147 F HA 0.538 5.065 4.527 -0.001 0.000 0.332 147 F C 1.241 177.020 175.800 -0.035 0.000 1.103 147 F CA 0.265 58.246 58.000 -0.032 0.000 0.979 147 F CB 2.674 41.663 39.000 -0.018 0.000 1.137 147 F HN 0.443 nan 8.300 nan 0.000 0.463 148 T N 0.594 114.709 114.554 -0.731 0.000 3.029 148 T HA 0.616 4.965 4.350 -0.001 0.000 0.256 148 T C 0.366 174.689 174.700 -0.628 0.000 0.914 148 T CA 0.159 61.967 62.100 -0.487 0.000 0.880 148 T CB 0.175 68.890 68.868 -0.255 0.000 1.246 148 T HN 1.021 nan 8.240 nan 0.000 0.523 149 G N 1.839 110.012 108.800 -1.044 0.000 2.320 149 G HA2 0.543 4.503 3.960 -0.001 0.000 0.296 149 G HA3 0.543 4.503 3.960 -0.001 0.000 0.296 149 G C -3.200 171.408 174.900 -0.486 0.000 1.306 149 G CA -0.722 44.007 45.100 -0.618 0.000 0.836 149 G HN 0.199 nan 8.290 nan 0.000 0.517 150 P HA 0.397 nan 4.420 nan 0.000 0.278 150 P C 0.277 177.621 177.300 0.073 0.000 1.258 150 P CA -0.156 62.914 63.100 -0.049 0.000 0.811 150 P CB 0.861 32.556 31.700 -0.007 0.000 1.063 151 T N -2.697 111.898 114.554 0.067 0.000 2.817 151 T HA 0.357 4.707 4.350 -0.001 0.000 0.295 151 T C 0.490 175.258 174.700 0.115 0.000 0.958 151 T CA -0.647 61.523 62.100 0.118 0.000 1.157 151 T CB -0.916 67.995 68.868 0.073 0.000 0.898 151 T HN 0.452 nan 8.240 nan 0.000 0.536 152 V N 4.024 124.026 119.914 0.148 0.000 2.461 152 V HA 0.624 4.744 4.120 -0.001 0.000 0.275 152 V C 0.649 176.771 176.094 0.047 0.000 1.047 152 V CA -0.633 61.724 62.300 0.096 0.000 0.955 152 V CB 0.618 32.504 31.823 0.105 0.000 0.988 152 V HN 1.226 nan 8.190 nan 0.000 0.471 153 S N 2.627 118.339 115.700 0.020 0.000 2.578 153 S HA 0.652 5.121 4.470 -0.001 0.000 0.301 153 S C -0.241 174.338 174.600 -0.035 0.000 1.091 153 S CA 0.161 58.355 58.200 -0.010 0.000 1.032 153 S CB 1.500 64.699 63.200 -0.001 0.000 1.064 153 S HN 1.485 nan 8.310 nan 0.000 0.508 154 D N 0.413 120.775 120.400 -0.064 0.000 3.515 154 D HA -0.128 4.512 4.640 -0.001 0.000 0.247 154 D C -0.060 176.163 176.300 -0.127 0.000 1.084 154 D CA 1.365 55.316 54.000 -0.082 0.000 1.030 154 D CB -1.153 39.619 40.800 -0.047 0.000 0.946 154 D HN 0.976 nan 8.370 nan 0.000 0.420 155 T N -1.062 113.350 114.554 -0.237 0.000 2.952 155 T HA 0.633 4.983 4.350 -0.001 0.000 0.286 155 T C 1.758 176.241 174.700 -0.362 0.000 1.024 155 T CA -1.032 60.823 62.100 -0.409 0.000 1.029 155 T CB 1.285 69.594 68.868 -0.931 0.000 1.094 155 T HN 0.178 nan 8.240 nan 0.000 0.515 156 L N 0.037 121.092 121.223 -0.280 0.000 2.418 156 L HA 0.202 4.542 4.340 -0.001 0.000 0.218 156 L C 0.588 177.426 176.870 -0.052 0.000 1.125 156 L CA 0.041 54.825 54.840 -0.094 0.000 0.835 156 L CB -0.569 41.506 42.059 0.027 0.000 0.953 156 L HN 0.715 nan 8.230 nan 0.000 0.454 157 Y N -2.397 117.881 120.300 -0.037 0.000 2.565 157 Y HA 0.720 5.270 4.550 -0.001 0.000 0.325 157 Y C -0.666 175.164 175.900 -0.116 0.000 1.221 157 Y CA -1.680 56.369 58.100 -0.085 0.000 1.316 157 Y CB 0.631 39.028 38.460 -0.104 0.000 1.404 157 Y HN -0.266 nan 8.280 nan 0.000 0.527 158 D N -0.195 120.245 120.400 0.067 0.000 2.738 158 D HA 0.366 5.006 4.640 -0.001 0.000 0.218 158 D C -1.934 174.302 176.300 -0.107 0.000 1.345 158 D CA -0.339 53.634 54.000 -0.044 0.000 0.943 158 D CB 2.101 42.866 40.800 -0.059 0.000 1.514 158 D HN 0.524 nan 8.370 nan 0.000 0.585 159 V N 2.598 122.428 119.914 -0.140 0.000 2.293 159 V HA 0.666 4.786 4.120 -0.001 0.000 0.275 159 V C 0.683 176.706 176.094 -0.119 0.000 1.021 159 V CA -0.770 61.395 62.300 -0.224 0.000 0.815 159 V CB 0.626 32.230 31.823 -0.364 0.000 1.025 159 V HN 0.571 nan 8.190 nan 0.000 0.448 160 K N 3.122 123.449 120.400 -0.121 0.000 2.172 160 K HA 0.757 5.076 4.320 -0.001 0.000 0.276 160 K C -0.622 175.902 176.600 -0.127 0.000 1.013 160 K CA -0.433 55.796 56.287 -0.097 0.000 0.913 160 K CB 1.711 34.155 32.500 -0.095 0.000 1.055 160 K HN 0.509 nan 8.250 nan 0.000 0.461 161 V N 2.274 122.127 119.914 -0.102 0.000 2.357 161 V HA 0.528 4.647 4.120 -0.001 0.000 0.281 161 V C 0.505 176.515 176.094 -0.140 0.000 1.015 161 V CA -1.265 60.945 62.300 -0.151 0.000 0.827 161 V CB 0.643 32.439 31.823 -0.045 0.000 1.018 161 V HN 1.133 nan 8.190 nan 0.000 0.432 162 A N 3.918 126.611 122.820 -0.212 0.000 2.466 162 A HA 0.354 4.673 4.320 -0.001 0.000 0.238 162 A C 1.001 178.527 177.584 -0.096 0.000 1.074 162 A CA 0.193 52.137 52.037 -0.154 0.000 0.774 162 A CB 0.439 19.329 19.000 -0.183 0.000 1.015 162 A HN 0.786 nan 8.150 nan 0.000 0.498 163 Q N 0.240 120.016 119.800 -0.040 0.000 2.387 163 Q HA 0.053 4.393 4.340 -0.001 0.000 0.208 163 Q C -0.476 175.542 176.000 0.030 0.000 0.935 163 Q CA 0.944 56.754 55.803 0.012 0.000 0.891 163 Q CB 0.113 28.855 28.738 0.007 0.000 1.007 163 Q HN 0.875 nan 8.270 nan 0.000 0.548 164 N N 1.809 120.512 118.700 0.006 0.000 2.581 164 N HA 0.266 5.006 4.740 -0.001 0.000 0.279 164 N C -2.612 172.897 175.510 -0.002 0.000 1.124 164 N CA -0.782 52.276 53.050 0.014 0.000 0.833 164 N CB 1.670 40.163 38.487 0.009 0.000 1.338 164 N HN 0.042 nan 8.380 nan 0.000 0.533 165 P HA 0.291 nan 4.420 nan 0.000 0.281 165 P C -0.606 176.709 177.300 0.025 0.000 1.264 165 P CA -0.623 62.500 63.100 0.037 0.000 0.824 165 P CB 0.739 32.464 31.700 0.041 0.000 1.092 166 F N 1.625 121.548 119.950 -0.045 0.000 2.629 166 F HA 0.269 4.796 4.527 -0.001 0.000 0.377 166 F C -0.012 175.700 175.800 -0.147 0.000 1.101 166 F CA 0.897 58.829 58.000 -0.113 0.000 1.301 166 F CB 0.278 39.206 39.000 -0.120 0.000 1.062 166 F HN 0.471 nan 8.300 nan 0.000 0.583 167 S N 6.935 121.870 115.700 -1.275 0.000 2.542 167 S HA 0.459 4.929 4.470 -0.001 0.000 0.276 167 S C -1.084 172.860 174.600 -1.093 0.000 1.148 167 S CA -1.123 56.324 58.200 -1.255 0.000 0.886 167 S CB 0.889 63.752 63.200 -0.561 0.000 1.109 167 S HN 0.999 nan 8.310 nan 0.000 0.458 168 I N 1.340 121.343 120.570 -0.945 0.000 2.566 168 I HA 0.634 4.803 4.170 -0.001 0.000 0.303 168 I C -0.683 175.243 176.117 -0.318 0.000 0.983 168 I CA -0.498 60.457 61.300 -0.575 0.000 1.235 168 I CB 1.614 39.274 38.000 -0.566 0.000 1.386 168 I HN 0.922 nan 8.210 nan 0.000 0.494 169 Q N 5.475 125.142 119.800 -0.223 0.000 2.275 169 Q HA 0.423 4.763 4.340 -0.001 0.000 0.258 169 Q C -2.073 173.841 176.000 -0.143 0.000 0.960 169 Q CA -0.641 55.073 55.803 -0.147 0.000 0.801 169 Q CB 2.203 30.845 28.738 -0.160 0.000 1.302 169 Q HN 0.584 nan 8.270 nan 0.000 0.433 170 V N 5.732 125.589 119.914 -0.095 0.000 2.398 170 V HA 0.555 4.674 4.120 -0.001 0.000 0.286 170 V C -0.264 175.752 176.094 -0.131 0.000 1.026 170 V CA -0.365 61.836 62.300 -0.166 0.000 0.868 170 V CB 1.376 33.086 31.823 -0.189 0.000 0.982 170 V HN 0.648 nan 8.190 nan 0.000 0.443 171 I N 4.440 124.945 120.570 -0.109 0.000 2.545 171 I HA 0.524 4.693 4.170 -0.001 0.000 0.292 171 I C 0.147 176.241 176.117 -0.038 0.000 1.040 171 I CA -0.687 60.567 61.300 -0.076 0.000 1.068 171 I CB 1.947 39.908 38.000 -0.065 0.000 1.251 171 I HN 0.492 nan 8.210 nan 0.000 0.424 172 R N 5.981 126.462 120.500 -0.032 0.000 2.248 172 R HA 0.169 4.508 4.340 -0.001 0.000 0.337 172 R C 1.141 177.437 176.300 -0.006 0.000 1.085 172 R CA -0.279 55.822 56.100 0.002 0.000 0.934 172 R CB 0.685 30.993 30.300 0.013 0.000 1.034 172 R HN 0.735 nan 8.270 nan 0.000 0.465 173 K N 2.153 122.545 120.400 -0.014 0.000 2.057 173 K HA -0.158 4.162 4.320 -0.001 0.000 0.206 173 K C 1.676 178.268 176.600 -0.014 0.000 1.050 173 K CA 1.415 57.687 56.287 -0.025 0.000 0.935 173 K CB -0.369 32.105 32.500 -0.044 0.000 0.715 173 K HN 0.537 nan 8.250 nan 0.000 0.439 174 S N 2.930 118.625 115.700 -0.009 0.000 2.490 174 S HA -0.281 4.188 4.470 -0.001 0.000 0.291 174 S C 1.566 176.170 174.600 0.006 0.000 1.182 174 S CA 2.452 60.653 58.200 0.001 0.000 1.215 174 S CB -0.618 62.589 63.200 0.011 0.000 1.176 174 S HN 0.767 nan 8.310 nan 0.000 0.440 175 N N -0.485 118.221 118.700 0.010 0.000 2.143 175 N HA 0.243 4.983 4.740 -0.001 0.000 0.229 175 N C 1.140 176.656 175.510 0.009 0.000 1.294 175 N CA 1.007 54.065 53.050 0.014 0.000 0.883 175 N CB -0.215 38.288 38.487 0.027 0.000 1.148 175 N HN 0.913 nan 8.380 nan 0.000 0.511 176 G N 1.230 110.029 108.800 -0.000 0.000 2.189 176 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.267 176 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.267 176 G C -0.015 174.880 174.900 -0.009 0.000 0.975 176 G CA 0.758 45.852 45.100 -0.008 0.000 0.644 176 G HN 0.715 nan 8.290 nan 0.000 0.537 177 K N 1.539 121.939 120.400 0.001 0.000 2.416 177 K HA 0.435 4.755 4.320 -0.001 0.000 0.283 177 K C 0.861 177.447 176.600 -0.023 0.000 1.037 177 K CA 0.493 56.782 56.287 0.004 0.000 0.995 177 K CB 0.344 32.863 32.500 0.031 0.000 0.938 177 K HN 0.305 nan 8.250 nan 0.000 0.475 178 T N 3.813 118.348 114.554 -0.032 0.000 2.780 178 T HA 0.242 4.592 4.350 -0.001 0.000 0.294 178 T C 0.954 175.601 174.700 -0.088 0.000 0.949 178 T CA -0.678 61.383 62.100 -0.064 0.000 1.074 178 T CB 0.490 69.319 68.868 -0.065 0.000 0.910 178 T HN 0.640 nan 8.240 nan 0.000 0.501 179 L N 3.097 124.214 121.223 -0.177 0.000 2.286 179 L HA 0.444 4.784 4.340 -0.001 0.000 0.203 179 L C 0.395 177.133 176.870 -0.220 0.000 1.068 179 L CA 0.153 54.757 54.840 -0.393 0.000 0.811 179 L CB 0.130 41.668 42.059 -0.867 0.000 0.989 179 L HN 0.629 nan 8.230 nan 0.000 0.467 180 F N 0.882 120.671 119.950 -0.269 0.000 2.577 180 F HA 0.341 4.867 4.527 -0.001 0.000 0.344 180 F C -0.999 174.723 175.800 -0.130 0.000 1.145 180 F CA -0.991 56.927 58.000 -0.137 0.000 0.996 180 F CB 0.996 39.928 39.000 -0.112 0.000 1.248 180 F HN -0.218 nan 8.300 nan 0.000 0.447 181 D N 4.042 124.242 120.400 -0.334 0.000 2.462 181 D HA 0.212 4.851 4.640 -0.001 0.000 0.249 181 D C 0.745 176.846 176.300 -0.331 0.000 1.117 181 D CA -0.032 53.811 54.000 -0.260 0.000 0.900 181 D CB 1.576 42.271 40.800 -0.175 0.000 1.039 181 D HN 0.520 nan 8.370 nan 0.000 0.516 182 T N 0.405 114.757 114.554 -0.336 0.000 3.007 182 T HA -0.129 4.221 4.350 -0.001 0.000 0.270 182 T C 1.897 176.449 174.700 -0.246 0.000 1.107 182 T CA 1.381 63.297 62.100 -0.307 0.000 1.118 182 T CB 0.014 68.693 68.868 -0.316 0.000 0.889 182 T HN 0.488 nan 8.240 nan 0.000 0.506 183 S N 0.931 116.489 115.700 -0.237 0.000 2.493 183 S HA -0.067 4.403 4.470 -0.001 0.000 0.243 183 S C 1.771 176.299 174.600 -0.119 0.000 0.991 183 S CA 0.406 58.495 58.200 -0.185 0.000 0.957 183 S CB -0.542 62.560 63.200 -0.164 0.000 0.756 183 S HN 0.342 nan 8.310 nan 0.000 0.521 184 I N 1.504 122.006 120.570 -0.113 0.000 3.059 184 I HA 0.339 4.509 4.170 -0.001 0.000 0.270 184 I C 1.134 177.237 176.117 -0.024 0.000 1.238 184 I CA 0.153 61.413 61.300 -0.067 0.000 1.478 184 I CB -0.150 37.802 38.000 -0.081 0.000 1.097 184 I HN 0.504 nan 8.210 nan 0.000 0.455 185 G N -0.555 108.221 108.800 -0.040 0.000 2.663 185 G HA2 0.510 4.470 3.960 -0.001 0.000 0.299 185 G HA3 0.510 4.470 3.960 -0.001 0.000 0.299 185 G C -2.971 171.884 174.900 -0.075 0.000 1.372 185 G CA -0.670 44.414 45.100 -0.026 0.000 0.781 185 G HN -0.153 nan 8.290 nan 0.000 0.491 186 P HA 0.500 nan 4.420 nan 0.000 0.277 186 P C -0.976 176.315 177.300 -0.016 0.000 1.271 186 P CA -0.563 62.462 63.100 -0.124 0.000 0.795 186 P CB 1.561 33.045 31.700 -0.361 0.000 1.101 187 L N 0.830 122.139 121.223 0.143 0.000 2.296 187 L HA 0.434 4.773 4.340 -0.001 0.000 0.286 187 L C -1.046 175.996 176.870 0.287 0.000 1.023 187 L CA -0.543 54.417 54.840 0.199 0.000 0.812 187 L CB 1.250 43.446 42.059 0.228 0.000 1.223 187 L HN 0.021 nan 8.230 nan 0.000 0.421 188 V N 6.068 126.117 119.914 0.225 0.000 2.378 188 V HA 0.339 4.459 4.120 -0.001 0.000 0.288 188 V C -1.191 175.091 176.094 0.312 0.000 1.016 188 V CA -0.437 62.061 62.300 0.329 0.000 0.840 188 V CB 1.164 33.171 31.823 0.307 0.000 0.994 188 V HN 0.695 nan 8.190 nan 0.000 0.431 189 Y N 4.588 125.042 120.300 0.257 0.000 2.646 189 Y HA 0.567 5.117 4.550 -0.001 0.000 0.334 189 Y C 0.380 176.413 175.900 0.222 0.000 1.004 189 Y CA -0.265 57.923 58.100 0.146 0.000 1.301 189 Y CB 1.426 39.872 38.460 -0.023 0.000 1.093 189 Y HN 0.729 nan 8.280 nan 0.000 0.530 190 S N 1.445 117.269 115.700 0.208 0.000 2.600 190 S HA 0.245 4.715 4.470 -0.001 0.000 0.300 190 S C 0.582 175.255 174.600 0.122 0.000 1.087 190 S CA -0.623 57.717 58.200 0.233 0.000 0.965 190 S CB 1.713 65.095 63.200 0.302 0.000 1.089 190 S HN 0.669 nan 8.310 nan 0.000 0.496 191 D N 0.777 121.266 120.400 0.147 0.000 2.170 191 D HA -0.211 4.428 4.640 -0.001 0.000 0.193 191 D C 1.379 177.739 176.300 0.101 0.000 1.004 191 D CA 2.000 56.065 54.000 0.109 0.000 0.860 191 D CB 0.053 40.919 40.800 0.109 0.000 0.931 191 D HN 0.725 nan 8.370 nan 0.000 0.448 192 Q N -2.149 117.741 119.800 0.150 0.000 2.171 192 Q HA 0.130 4.470 4.340 -0.001 0.000 0.218 192 Q C -0.972 175.171 176.000 0.238 0.000 0.822 192 Q CA -0.314 55.603 55.803 0.190 0.000 0.987 192 Q CB 1.316 30.165 28.738 0.185 0.000 1.144 192 Q HN 0.320 nan 8.270 nan 0.000 0.494 193 Y N 0.475 120.806 120.300 0.052 0.000 2.386 193 Y HA 0.443 4.993 4.550 -0.001 0.000 0.334 193 Y C -1.957 173.929 175.900 -0.025 0.000 1.002 193 Y CA -1.267 56.825 58.100 -0.014 0.000 1.068 193 Y CB 1.140 39.588 38.460 -0.020 0.000 1.203 193 Y HN -0.129 nan 8.280 nan 0.000 0.443 194 L N 5.828 126.714 121.223 -0.561 0.000 2.356 194 L HA 0.563 4.903 4.340 -0.001 0.000 0.277 194 L C -0.892 175.654 176.870 -0.541 0.000 0.996 194 L CA -0.589 53.992 54.840 -0.431 0.000 0.822 194 L CB 2.019 43.893 42.059 -0.309 0.000 1.256 194 L HN 0.713 nan 8.230 nan 0.000 0.413 195 Q N 3.599 123.232 119.800 -0.279 0.000 2.305 195 Q HA 0.722 5.061 4.340 -0.001 0.000 0.271 195 Q C -1.832 174.207 176.000 0.064 0.000 1.046 195 Q CA -0.478 55.240 55.803 -0.141 0.000 0.798 195 Q CB 3.052 31.721 28.738 -0.115 0.000 1.286 195 Q HN 0.692 nan 8.270 nan 0.000 0.435 196 I N 1.377 122.041 120.570 0.157 0.000 2.775 196 I HA 0.459 4.629 4.170 -0.001 0.000 0.295 196 I C -1.484 174.758 176.117 0.208 0.000 1.287 196 I CA -0.232 61.170 61.300 0.170 0.000 1.029 196 I CB 2.495 40.619 38.000 0.206 0.000 1.282 196 I HN 0.593 nan 8.210 nan 0.000 0.426 197 S N 4.618 120.371 115.700 0.088 0.000 2.600 197 S HA 0.945 5.414 4.470 -0.001 0.000 0.300 197 S C -0.967 173.563 174.600 -0.117 0.000 1.087 197 S CA -0.640 57.593 58.200 0.055 0.000 0.965 197 S CB 1.921 65.140 63.200 0.033 0.000 1.089 197 S HN 0.762 nan 8.310 nan 0.000 0.496 198 A N 1.822 124.532 122.820 -0.183 0.000 2.427 198 A HA 0.674 4.994 4.320 -0.001 0.000 0.298 198 A C -0.593 176.826 177.584 -0.275 0.000 1.036 198 A CA -0.712 51.045 52.037 -0.466 0.000 0.701 198 A CB 1.134 19.506 19.000 -1.048 0.000 1.250 198 A HN 0.708 nan 8.150 nan 0.000 0.412 199 R N 2.914 123.263 120.500 -0.252 0.000 2.340 199 R HA 0.558 4.897 4.340 -0.001 0.000 0.300 199 R C -1.176 175.072 176.300 -0.087 0.000 1.069 199 R CA -0.191 55.822 56.100 -0.145 0.000 0.984 199 R CB 0.316 30.544 30.300 -0.120 0.000 1.003 199 R HN 0.735 nan 8.270 nan 0.000 0.459 200 L N 6.361 127.578 121.223 -0.009 0.000 2.334 200 L HA 0.437 4.776 4.340 -0.001 0.000 0.270 200 L C -1.289 175.644 176.870 0.106 0.000 1.018 200 L CA -2.129 52.787 54.840 0.127 0.000 0.811 200 L CB 2.049 44.223 42.059 0.192 0.000 1.271 200 L HN 0.551 nan 8.230 nan 0.000 0.443 201 P HA -0.026 nan 4.420 nan 0.000 0.227 201 P C 0.244 177.627 177.300 0.139 0.000 1.161 201 P CA 0.587 63.771 63.100 0.140 0.000 0.788 201 P CB 0.481 32.288 31.700 0.178 0.000 0.822 202 S N -1.361 114.432 115.700 0.155 0.000 2.740 202 S HA 0.414 4.883 4.470 -0.001 0.000 0.300 202 S C -0.046 174.604 174.600 0.084 0.000 1.147 202 S CA -0.647 57.652 58.200 0.166 0.000 0.871 202 S CB 1.231 64.577 63.200 0.243 0.000 1.173 202 S HN -0.305 nan 8.310 nan 0.000 0.510 203 D N 0.183 120.645 120.400 0.102 0.000 2.358 203 D HA 0.225 4.865 4.640 -0.001 0.000 0.224 203 D C -1.125 174.855 176.300 -0.534 0.000 1.123 203 D CA 0.450 54.319 54.000 -0.218 0.000 0.833 203 D CB -0.206 40.425 40.800 -0.282 0.000 0.946 203 D HN 0.488 nan 8.370 nan 0.000 0.505 204 Y N 0.572 120.785 120.300 -0.145 0.000 2.464 204 Y HA 0.433 4.983 4.550 -0.001 0.000 0.326 204 Y C 0.177 175.791 175.900 -0.477 0.000 0.969 204 Y CA -0.626 57.295 58.100 -0.299 0.000 1.270 204 Y CB 0.835 39.211 38.460 -0.140 0.000 1.103 204 Y HN -0.256 nan 8.280 nan 0.000 0.491 205 I N 3.801 123.982 120.570 -0.649 0.000 2.474 205 I HA 0.448 4.618 4.170 -0.001 0.000 0.294 205 I C -1.183 174.437 176.117 -0.828 0.000 1.005 205 I CA -1.056 59.895 61.300 -0.581 0.000 1.113 205 I CB 1.727 39.373 38.000 -0.590 0.000 1.289 205 I HN 0.388 nan 8.210 nan 0.000 0.436 206 Y N 3.424 123.552 120.300 -0.285 0.000 2.442 206 Y HA 0.793 5.343 4.550 -0.001 0.000 0.344 206 Y C 0.605 176.322 175.900 -0.305 0.000 0.976 206 Y CA -0.568 57.264 58.100 -0.447 0.000 1.040 206 Y CB 2.187 40.208 38.460 -0.732 0.000 1.228 206 Y HN 0.831 nan 8.280 nan 0.000 0.451 207 G N 1.458 110.186 108.800 -0.120 0.000 2.297 207 G HA2 0.173 4.132 3.960 -0.001 0.000 0.209 207 G HA3 0.173 4.132 3.960 -0.001 0.000 0.209 207 G C -1.139 173.827 174.900 0.109 0.000 1.267 207 G CA -0.573 44.528 45.100 0.001 0.000 1.127 207 G HN 0.986 nan 8.290 nan 0.000 0.498 208 I N -0.994 119.743 120.570 0.279 0.000 8.785 208 I HA 0.199 4.369 4.170 -0.001 0.000 0.126 208 I C 0.616 176.910 176.117 0.296 0.000 1.862 208 I CA 1.245 62.647 61.300 0.171 0.000 2.038 208 I CB -0.726 37.255 38.000 -0.032 0.000 3.895 208 I HN 2.358 nan 8.210 nan 0.000 0.169 209 G N 4.181 113.020 108.800 0.064 0.000 2.559 209 G HA2 0.549 4.509 3.960 -0.001 0.000 0.291 209 G HA3 0.549 4.509 3.960 -0.001 0.000 0.291 209 G C -1.893 172.974 174.900 -0.056 0.000 1.424 209 G CA -0.670 44.455 45.100 0.043 0.000 0.786 209 G HN 0.786 nan 8.290 nan 0.000 0.485 210 E N -0.213 120.000 120.200 0.021 0.000 2.146 210 E HA 0.567 4.917 4.350 -0.001 0.000 0.282 210 E C -0.461 176.144 176.600 0.010 0.000 0.989 210 E CA -0.165 56.303 56.400 0.114 0.000 0.799 210 E CB 0.878 30.736 29.700 0.263 0.000 1.088 210 E HN 0.383 nan 8.360 nan 0.000 0.397 211 Q N 1.397 121.117 119.800 -0.133 0.000 2.605 211 Q HA 0.444 4.784 4.340 -0.001 0.000 0.296 211 Q C -1.437 174.348 176.000 -0.359 0.000 1.056 211 Q CA -0.852 54.805 55.803 -0.244 0.000 0.778 211 Q CB 2.200 30.748 28.738 -0.316 0.000 1.497 211 Q HN 0.334 nan 8.270 nan 0.000 0.443 212 V N 1.993 121.747 119.914 -0.266 0.000 2.353 212 V HA 0.136 4.256 4.120 -0.001 0.000 0.264 212 V C -0.106 175.757 176.094 -0.386 0.000 1.049 212 V CA 0.126 62.255 62.300 -0.285 0.000 0.896 212 V CB 0.367 32.045 31.823 -0.242 0.000 1.025 212 V HN 0.728 nan 8.190 nan 0.000 0.475 213 H N 2.932 121.850 119.070 -0.254 0.000 2.497 213 H HA 0.106 4.662 4.556 -0.001 0.000 0.282 213 H C 1.566 176.743 175.328 -0.252 0.000 1.003 213 H CA 0.689 56.546 56.048 -0.318 0.000 1.307 213 H CB 0.211 29.683 29.762 -0.483 0.000 1.437 213 H HN 0.692 nan 8.280 nan 0.000 0.544 214 K N -1.309 118.946 120.400 -0.242 0.000 5.503 214 K HA -0.187 4.133 4.320 -0.001 0.000 0.447 214 K C -0.032 176.609 176.600 0.069 0.000 0.396 214 K CA 1.493 57.613 56.287 -0.278 0.000 1.904 214 K CB -0.574 31.707 32.500 -0.364 0.000 0.786 214 K HN 0.076 nan 8.250 nan 0.000 0.639 215 R N 0.028 120.553 120.500 0.042 0.000 2.637 215 R HA 0.256 4.596 4.340 -0.001 0.000 0.291 215 R C 0.481 176.810 176.300 0.048 0.000 0.963 215 R CA -0.399 55.748 56.100 0.078 0.000 0.901 215 R CB 0.968 31.291 30.300 0.038 0.000 1.160 215 R HN 0.024 nan 8.270 nan 0.000 0.457 216 F N 2.731 122.667 119.950 -0.025 0.000 2.128 216 F HA -0.031 4.496 4.527 -0.001 0.000 0.295 216 F C 1.104 176.865 175.800 -0.064 0.000 1.100 216 F CA 0.952 58.943 58.000 -0.014 0.000 1.260 216 F CB 0.116 39.182 39.000 0.110 0.000 1.009 216 F HN 0.401 nan 8.300 nan 0.000 0.476 217 R N 0.603 121.037 120.500 -0.110 0.000 2.308 217 R HA 0.190 4.530 4.340 -0.001 0.000 0.305 217 R C -1.177 174.862 176.300 -0.434 0.000 1.053 217 R CA -0.165 55.652 56.100 -0.472 0.000 0.957 217 R CB -0.347 29.822 30.300 -0.218 0.000 1.022 217 R HN 0.199 nan 8.270 nan 0.000 0.461 218 H N 1.374 120.107 119.070 -0.562 0.000 2.928 218 H HA 0.026 4.582 4.556 -0.001 0.000 0.338 218 H C -0.511 174.643 175.328 -0.290 0.000 1.047 218 H CA 0.926 56.726 56.048 -0.415 0.000 1.435 218 H CB 0.569 30.036 29.762 -0.491 0.000 1.428 218 H HN 0.674 nan 8.280 nan 0.000 0.590 219 D N 2.971 123.343 120.400 -0.046 0.000 2.417 219 D HA -0.030 4.610 4.640 -0.001 0.000 0.250 219 D C 0.458 176.704 176.300 -0.091 0.000 1.166 219 D CA 0.120 54.088 54.000 -0.053 0.000 0.881 219 D CB 0.718 41.524 40.800 0.011 0.000 1.164 219 D HN 0.491 nan 8.370 nan 0.000 0.467 220 L N 2.354 123.466 121.223 -0.185 0.000 2.592 220 L HA 0.100 4.439 4.340 -0.001 0.000 0.227 220 L C 1.367 178.026 176.870 -0.352 0.000 1.127 220 L CA -0.062 54.604 54.840 -0.290 0.000 0.884 220 L CB -0.037 41.831 42.059 -0.318 0.000 1.065 220 L HN 0.247 nan 8.230 nan 0.000 0.457 221 S N 0.451 116.024 115.700 -0.212 0.000 4.183 221 S HA 0.094 4.563 4.470 -0.001 0.000 0.195 221 S C -0.592 174.000 174.600 -0.012 0.000 1.421 221 S CA -0.484 57.646 58.200 -0.117 0.000 0.920 221 S CB -0.848 62.372 63.200 0.032 0.000 1.525 221 S HN 0.427 nan 8.310 nan 0.000 0.447 222 W N 1.472 122.612 121.300 -0.267 0.000 5.655 222 W HA -0.180 4.479 4.660 -0.001 0.000 0.428 222 W C -0.135 176.077 176.519 -0.510 0.000 1.712 222 W CA -0.003 57.118 57.345 -0.374 0.000 0.956 222 W CB -1.553 27.867 29.460 -0.067 0.000 2.931 222 W HN 0.284 nan 8.180 nan 0.000 1.293 223 K N 0.793 120.807 120.400 -0.644 0.000 2.292 223 K HA 0.602 4.922 4.320 -0.001 0.000 0.257 223 K C 0.358 176.518 176.600 -0.734 0.000 0.940 223 K CA -0.767 55.174 56.287 -0.577 0.000 0.811 223 K CB 1.813 34.046 32.500 -0.445 0.000 1.120 223 K HN -0.004 nan 8.250 nan 0.000 0.428 224 T N -0.475 113.773 114.554 -0.510 0.000 2.875 224 T HA 0.503 4.853 4.350 -0.001 0.000 0.284 224 T C -0.496 173.853 174.700 -0.585 0.000 0.995 224 T CA -0.721 61.223 62.100 -0.260 0.000 1.060 224 T CB 0.656 69.557 68.868 0.055 0.000 0.967 224 T HN 0.512 nan 8.240 nan 0.000 0.476 225 W N 3.147 124.471 121.300 0.039 0.000 2.521 225 W HA 0.371 5.031 4.660 -0.001 0.000 0.310 225 W C -2.586 173.955 176.519 0.035 0.000 1.000 225 W CA -2.459 54.907 57.345 0.036 0.000 1.353 225 W CB 1.529 31.023 29.460 0.057 0.000 1.276 225 W HN 0.479 nan 8.180 nan 0.000 0.417 226 P HA 0.291 nan 4.420 nan 0.000 0.280 226 P C -0.453 176.929 177.300 0.136 0.000 1.244 226 P CA 0.171 63.357 63.100 0.143 0.000 0.784 226 P CB 1.633 33.384 31.700 0.085 0.000 0.913 227 I N 4.334 124.960 120.570 0.094 0.000 2.410 227 I HA 0.506 4.676 4.170 -0.001 0.000 0.286 227 I C -0.601 175.614 176.117 0.163 0.000 1.009 227 I CA -0.564 60.736 61.300 0.000 0.000 1.111 227 I CB 0.944 38.804 38.000 -0.235 0.000 1.262 227 I HN 0.224 nan 8.210 nan 0.000 0.443 228 F N 4.245 124.211 119.950 0.026 0.000 2.684 228 F HA 0.159 4.686 4.527 -0.001 0.000 0.329 228 F C -0.135 175.787 175.800 0.202 0.000 1.094 228 F CA -0.458 57.656 58.000 0.190 0.000 1.116 228 F CB 1.259 40.321 39.000 0.103 0.000 1.366 228 F HN 0.299 nan 8.300 nan 0.000 0.567 229 T N 5.101 119.604 114.554 -0.085 0.000 2.908 229 T HA 0.429 4.778 4.350 -0.001 0.000 0.301 229 T C -0.481 174.154 174.700 -0.108 0.000 1.019 229 T CA 0.696 62.736 62.100 -0.101 0.000 1.152 229 T CB -0.028 68.719 68.868 -0.202 0.000 0.966 229 T HN 0.740 nan 8.240 nan 0.000 0.540 230 R N 3.106 123.594 120.500 -0.019 0.000 2.579 230 R HA 0.308 4.648 4.340 -0.001 0.000 0.260 230 R C -2.048 174.242 176.300 -0.016 0.000 1.103 230 R CA -0.719 55.378 56.100 -0.005 0.000 0.942 230 R CB 1.179 31.480 30.300 0.002 0.000 1.251 230 R HN 0.485 nan 8.270 nan 0.000 0.450 231 D N 2.532 122.963 120.400 0.052 0.000 2.339 231 D HA 0.314 4.954 4.640 -0.001 0.000 0.241 231 D C -1.282 175.040 176.300 0.037 0.000 1.183 231 D CA 0.447 54.526 54.000 0.131 0.000 0.859 231 D CB 1.089 41.994 40.800 0.175 0.000 1.067 231 D HN 0.458 nan 8.370 nan 0.000 0.484 232 Q N 3.196 122.959 119.800 -0.062 0.000 2.468 232 Q HA 0.292 4.632 4.340 -0.001 0.000 0.263 232 Q C -1.683 174.298 176.000 -0.031 0.000 0.979 232 Q CA -0.540 55.231 55.803 -0.054 0.000 0.932 232 Q CB 0.862 29.535 28.738 -0.110 0.000 1.462 232 Q HN 0.463 nan 8.270 nan 0.000 0.403 233 L N 5.134 126.419 121.223 0.104 0.000 2.513 233 L HA 0.310 4.650 4.340 -0.001 0.000 0.272 233 L C -1.839 175.097 176.870 0.109 0.000 1.187 233 L CA -1.558 53.386 54.840 0.173 0.000 0.895 233 L CB 0.167 42.352 42.059 0.211 0.000 1.147 233 L HN 0.553 nan 8.230 nan 0.000 0.483 234 P HA 0.123 nan 4.420 nan 0.000 0.267 234 P C -0.013 177.402 177.300 0.192 0.000 1.205 234 P CA 0.077 63.252 63.100 0.125 0.000 0.765 234 P CB 1.006 32.821 31.700 0.191 0.000 0.828 235 G N 1.307 110.194 108.800 0.144 0.000 2.921 235 G HA2 0.315 4.275 3.960 -0.001 0.000 0.291 235 G HA3 0.315 4.275 3.960 -0.001 0.000 0.291 235 G C -1.253 173.696 174.900 0.083 0.000 1.370 235 G CA -0.422 44.797 45.100 0.197 0.000 0.847 235 G HN 0.319 nan 8.290 nan 0.000 0.532 236 D N 1.107 121.580 120.400 0.122 0.000 2.608 236 D HA 0.212 4.852 4.640 -0.001 0.000 0.224 236 D C 0.257 176.546 176.300 -0.018 0.000 1.123 236 D CA -0.194 53.792 54.000 -0.023 0.000 1.030 236 D CB -0.847 40.054 40.800 0.168 0.000 1.093 236 D HN 0.493 nan 8.370 nan 0.000 0.497 237 N N 0.491 119.164 118.700 -0.045 0.000 3.308 237 N HA 0.040 4.779 4.740 -0.001 0.000 0.276 237 N C -0.355 175.155 175.510 0.001 0.000 1.533 237 N CA -0.650 52.386 53.050 -0.023 0.000 0.878 237 N CB 0.125 38.610 38.487 -0.004 0.000 1.566 237 N HN 0.043 nan 8.380 nan 0.000 0.546 238 N N -0.577 118.106 118.700 -0.029 0.000 2.279 238 N HA 0.024 4.763 4.740 -0.001 0.000 0.226 238 N C -1.006 174.548 175.510 0.074 0.000 1.126 238 N CA -0.315 52.746 53.050 0.017 0.000 0.846 238 N CB -0.844 37.449 38.487 -0.322 0.000 1.050 238 N HN 0.428 nan 8.380 nan 0.000 0.502 239 N N 1.978 120.702 118.700 0.039 0.000 2.412 239 N HA -0.068 4.671 4.740 -0.001 0.000 0.254 239 N C -0.140 175.395 175.510 0.042 0.000 1.232 239 N CA -0.124 52.941 53.050 0.026 0.000 0.880 239 N CB 0.345 38.830 38.487 -0.002 0.000 1.076 239 N HN 0.417 nan 8.380 nan 0.000 0.458 240 N N 3.278 122.009 118.700 0.051 0.000 2.447 240 N HA 0.021 4.761 4.740 -0.001 0.000 0.263 240 N C -0.469 175.025 175.510 -0.027 0.000 1.226 240 N CA 0.398 53.479 53.050 0.052 0.000 0.906 240 N CB 1.032 39.586 38.487 0.112 0.000 1.060 240 N HN 0.401 nan 8.380 nan 0.000 0.468 241 L N 0.878 122.060 121.223 -0.069 0.000 2.755 241 L HA 0.302 4.641 4.340 -0.001 0.000 0.243 241 L C 1.297 178.081 176.870 -0.144 0.000 1.579 241 L CA -1.034 53.656 54.840 -0.249 0.000 1.669 241 L CB -0.306 41.549 42.059 -0.340 0.000 2.294 241 L HN 0.307 nan 8.230 nan 0.000 0.588 242 Y N 0.366 120.702 120.300 0.059 0.000 2.165 242 Y HA -0.046 4.504 4.550 -0.001 0.000 0.286 242 Y C 1.510 177.452 175.900 0.070 0.000 1.155 242 Y CA 0.819 58.947 58.100 0.047 0.000 1.164 242 Y CB -0.951 37.524 38.460 0.025 0.000 0.978 242 Y HN 0.438 nan 8.280 nan 0.000 0.513 243 G N -1.856 107.097 108.800 0.255 0.000 2.491 243 G HA2 0.382 4.342 3.960 -0.001 0.000 0.327 243 G HA3 0.382 4.342 3.960 -0.001 0.000 0.327 243 G C -1.614 173.388 174.900 0.170 0.000 1.189 243 G CA -0.547 44.674 45.100 0.201 0.000 0.956 243 G HN 0.392 nan 8.290 nan 0.000 0.491 244 H N 0.164 119.271 119.070 0.062 0.000 2.866 244 H HA 0.405 4.961 4.556 -0.001 0.000 0.287 244 H C -0.803 174.433 175.328 -0.153 0.000 1.106 244 H CA -0.570 55.516 56.048 0.063 0.000 1.396 244 H CB 0.512 30.433 29.762 0.264 0.000 1.469 244 H HN 0.208 nan 8.280 nan 0.000 0.500 245 Q N 3.758 123.404 119.800 -0.258 0.000 2.337 245 Q HA 0.131 4.470 4.340 -0.001 0.000 0.264 245 Q C 0.426 176.233 176.000 -0.322 0.000 1.007 245 Q CA -0.410 55.068 55.803 -0.541 0.000 0.727 245 Q CB 1.828 29.695 28.738 -1.452 0.000 1.256 245 Q HN 0.846 nan 8.270 nan 0.000 0.467 246 T N -1.485 113.044 114.554 -0.042 0.000 3.107 246 T HA 0.135 4.485 4.350 -0.001 0.000 0.249 246 T C 0.426 175.285 174.700 0.266 0.000 1.096 246 T CA -0.202 61.979 62.100 0.135 0.000 1.012 246 T CB -0.130 68.851 68.868 0.188 0.000 0.977 246 T HN 0.295 nan 8.240 nan 0.000 0.527 247 F N 3.926 123.880 119.950 0.007 0.000 2.504 247 F HA 0.496 5.022 4.527 -0.001 0.000 0.369 247 F C -0.564 175.300 175.800 0.106 0.000 1.082 247 F CA -2.522 55.443 58.000 -0.058 0.000 1.216 247 F CB 0.048 38.698 39.000 -0.583 0.000 1.108 247 F HN 0.261 nan 8.300 nan 0.000 0.554 248 F N 6.437 125.987 119.950 -0.666 0.000 2.603 248 F HA 0.717 5.244 4.527 -0.001 0.000 0.317 248 F C -1.231 173.979 175.800 -0.982 0.000 1.066 248 F CA -1.543 55.998 58.000 -0.765 0.000 0.941 248 F CB 1.460 40.232 39.000 -0.381 0.000 1.291 248 F HN 0.538 nan 8.300 nan 0.000 0.472 249 M N 3.070 122.387 119.600 -0.471 0.000 2.690 249 M HA 0.741 5.220 4.480 -0.001 0.000 0.302 249 M C -2.060 174.145 176.300 -0.158 0.000 1.234 249 M CA -0.543 54.504 55.300 -0.422 0.000 0.853 249 M CB 2.271 34.670 32.600 -0.334 0.000 1.748 249 M HN 1.097 nan 8.290 nan 0.000 0.469 250 C N 4.382 123.468 119.300 -0.356 0.000 2.931 250 C HA 0.596 5.056 4.460 -0.001 0.000 0.370 250 C C -1.387 173.371 174.990 -0.387 0.000 1.071 250 C CA -0.801 57.997 59.018 -0.367 0.000 1.266 250 C CB 0.792 28.150 27.740 -0.637 0.000 1.691 250 C HN 0.979 nan 8.230 nan 0.000 0.511 251 I N 5.578 126.008 120.570 -0.234 0.000 2.336 251 I HA 0.423 4.593 4.170 -0.001 0.000 0.292 251 I C 0.858 176.838 176.117 -0.228 0.000 0.991 251 I CA -0.002 61.105 61.300 -0.322 0.000 1.227 251 I CB 1.453 39.101 38.000 -0.587 0.000 1.366 251 I HN 0.877 nan 8.210 nan 0.000 0.466 252 E N 4.476 124.632 120.200 -0.072 0.000 2.086 252 E HA -0.019 4.330 4.350 -0.001 0.000 0.190 252 E C -0.659 176.012 176.600 0.117 0.000 0.975 252 E CA 0.799 57.249 56.400 0.084 0.000 0.813 252 E CB 0.151 29.945 29.700 0.157 0.000 0.768 252 E HN 0.875 nan 8.360 nan 0.000 0.457 253 D N -2.886 117.583 120.400 0.114 0.000 2.779 253 D HA 0.017 4.657 4.640 -0.001 0.000 0.331 253 D C 0.196 176.719 176.300 0.372 0.000 1.331 253 D CA -0.574 53.595 54.000 0.281 0.000 0.866 253 D CB 0.481 41.398 40.800 0.196 0.000 1.409 253 D HN -0.244 nan 8.370 nan 0.000 0.486 254 T N -1.231 113.560 114.554 0.394 0.000 2.929 254 T HA -0.092 4.258 4.350 -0.001 0.000 0.271 254 T C 1.597 176.514 174.700 0.361 0.000 1.085 254 T CA 1.972 64.316 62.100 0.405 0.000 1.125 254 T CB -0.600 68.395 68.868 0.212 0.000 0.874 254 T HN 0.471 nan 8.240 nan 0.000 0.494 255 S N -0.427 115.419 115.700 0.244 0.000 2.561 255 S HA 0.263 4.732 4.470 -0.001 0.000 0.225 255 S C 1.825 176.502 174.600 0.127 0.000 0.977 255 S CA 1.024 59.346 58.200 0.203 0.000 0.926 255 S CB -0.262 63.012 63.200 0.123 0.000 0.769 255 S HN 0.761 nan 8.310 nan 0.000 0.533 256 G N 0.591 109.390 108.800 -0.001 0.000 2.194 256 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.236 256 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.236 256 G C -0.026 174.666 174.900 -0.346 0.000 0.987 256 G CA -0.049 44.737 45.100 -0.522 0.000 0.635 256 G HN 0.578 nan 8.290 nan 0.000 0.520 257 K N 1.481 121.803 120.400 -0.131 0.000 2.472 257 K HA 0.466 4.785 4.320 -0.001 0.000 0.280 257 K C 0.129 176.698 176.600 -0.052 0.000 1.028 257 K CA 0.884 57.134 56.287 -0.061 0.000 1.045 257 K CB 0.479 32.990 32.500 0.019 0.000 0.902 257 K HN 0.277 nan 8.250 nan 0.000 0.478 258 S N 1.875 117.557 115.700 -0.030 0.000 2.651 258 S HA 0.715 5.185 4.470 -0.001 0.000 0.279 258 S C -1.217 173.465 174.600 0.136 0.000 1.148 258 S CA -1.001 57.179 58.200 -0.033 0.000 0.837 258 S CB 0.918 64.007 63.200 -0.185 0.000 1.138 258 S HN 0.542 nan 8.310 nan 0.000 0.478 259 F N -1.412 118.534 119.950 -0.007 0.000 2.692 259 F HA 0.982 5.509 4.527 -0.001 0.000 0.320 259 F C -0.212 175.597 175.800 0.014 0.000 1.123 259 F CA -0.933 57.082 58.000 0.025 0.000 0.961 259 F CB 0.977 40.007 39.000 0.050 0.000 1.383 259 F HN 0.771 nan 8.300 nan 0.000 0.483 260 G N 0.147 109.070 108.800 0.206 0.000 2.612 260 G HA2 0.624 4.584 3.960 -0.001 0.000 0.298 260 G HA3 0.624 4.584 3.960 -0.001 0.000 0.298 260 G C -2.401 172.574 174.900 0.125 0.000 1.336 260 G CA -1.148 43.982 45.100 0.050 0.000 0.953 260 G HN 0.749 nan 8.290 nan 0.000 0.482 261 V N 1.458 121.225 119.914 -0.245 0.000 2.482 261 V HA 0.552 4.672 4.120 -0.001 0.000 0.295 261 V C -1.339 174.796 176.094 0.069 0.000 1.026 261 V CA -0.710 61.522 62.300 -0.115 0.000 0.856 261 V CB 1.310 32.964 31.823 -0.281 0.000 1.001 261 V HN 0.695 nan 8.190 nan 0.000 0.424 262 F N 6.676 126.698 119.950 0.120 0.000 2.493 262 F HA 0.789 5.315 4.527 -0.001 0.000 0.329 262 F C -0.999 174.775 175.800 -0.044 0.000 1.126 262 F CA -1.391 56.686 58.000 0.129 0.000 0.937 262 F CB 1.734 40.861 39.000 0.211 0.000 1.146 262 F HN 0.432 nan 8.300 nan 0.000 0.442 263 L N 8.135 128.883 121.223 -0.791 0.000 2.265 263 L HA 0.529 4.869 4.340 -0.001 0.000 0.289 263 L C -0.701 175.432 176.870 -1.229 0.000 1.033 263 L CA -0.620 53.519 54.840 -1.168 0.000 0.814 263 L CB 1.210 42.677 42.059 -0.987 0.000 1.203 263 L HN 0.778 nan 8.230 nan 0.000 0.423 264 M N 6.382 125.331 119.600 -1.084 0.000 2.435 264 M HA 0.435 4.914 4.480 -0.001 0.000 0.344 264 M C -1.168 174.981 176.300 -0.251 0.000 1.329 264 M CA 0.539 55.476 55.300 -0.605 0.000 1.320 264 M CB -0.697 31.724 32.600 -0.299 0.000 1.309 264 M HN 0.667 nan 8.290 nan 0.000 0.451 265 N N 1.469 120.139 118.700 -0.049 0.000 2.521 265 N HA 0.228 4.968 4.740 -0.001 0.000 0.269 265 N C -0.976 174.683 175.510 0.247 0.000 1.079 265 N CA 0.118 53.202 53.050 0.058 0.000 0.980 265 N CB 1.600 40.067 38.487 -0.034 0.000 1.667 265 N HN 0.532 nan 8.380 nan 0.000 0.498 266 S N 1.253 117.079 115.700 0.210 0.000 2.593 266 S HA 0.271 4.740 4.470 -0.001 0.000 0.236 266 S C 0.207 174.886 174.600 0.133 0.000 0.991 266 S CA -0.595 57.619 58.200 0.023 0.000 0.963 266 S CB -0.225 62.849 63.200 -0.209 0.000 0.865 266 S HN 0.497 nan 8.310 nan 0.000 0.488 267 N N 2.077 120.907 118.700 0.217 0.000 2.424 267 N HA 0.436 5.176 4.740 -0.001 0.000 0.257 267 N C 0.077 175.719 175.510 0.221 0.000 1.250 267 N CA 0.087 53.212 53.050 0.126 0.000 0.946 267 N CB 0.798 39.299 38.487 0.022 0.000 1.175 267 N HN 0.430 nan 8.380 nan 0.000 0.477 268 A N 1.187 123.954 122.820 -0.087 0.000 2.511 268 A HA 0.331 4.650 4.320 -0.001 0.000 0.242 268 A C 0.346 177.908 177.584 -0.037 0.000 1.069 268 A CA 0.304 52.197 52.037 -0.239 0.000 0.763 268 A CB -0.232 18.176 19.000 -0.986 0.000 1.001 268 A HN 0.748 nan 8.150 nan 0.000 0.498 269 M N 0.593 120.231 119.600 0.063 0.000 2.644 269 M HA 0.673 5.153 4.480 -0.001 0.000 0.273 269 M C -1.302 175.085 176.300 0.145 0.000 1.253 269 M CA -0.559 54.823 55.300 0.136 0.000 0.852 269 M CB 1.725 34.431 32.600 0.176 0.000 1.708 269 M HN 0.521 nan 8.290 nan 0.000 0.471 270 E N 1.490 121.816 120.200 0.210 0.000 2.183 270 E HA 0.649 4.999 4.350 -0.001 0.000 0.271 270 E C -1.446 175.256 176.600 0.171 0.000 0.919 270 E CA -0.736 55.788 56.400 0.206 0.000 0.781 270 E CB 2.847 32.713 29.700 0.277 0.000 1.140 270 E HN 0.582 nan 8.360 nan 0.000 0.402 271 I N 3.533 124.185 120.570 0.137 0.000 2.330 271 I HA 0.260 4.429 4.170 -0.001 0.000 0.289 271 I C -0.804 175.369 176.117 0.095 0.000 1.001 271 I CA -0.647 60.657 61.300 0.007 0.000 1.193 271 I CB 0.674 38.604 38.000 -0.117 0.000 1.345 271 I HN 0.400 nan 8.210 nan 0.000 0.461 272 F N 8.048 127.945 119.950 -0.088 0.000 2.415 272 F HA 0.604 5.131 4.527 -0.001 0.000 0.348 272 F C -0.427 175.282 175.800 -0.152 0.000 1.119 272 F CA -0.491 57.466 58.000 -0.072 0.000 1.069 272 F CB 0.847 39.843 39.000 -0.006 0.000 1.124 272 F HN 0.212 nan 8.300 nan 0.000 0.472 273 I N 6.307 126.481 120.570 -0.659 0.000 2.378 273 I HA 0.352 4.522 4.170 -0.001 0.000 0.291 273 I C -0.766 174.881 176.117 -0.783 0.000 0.992 273 I CA -0.536 60.420 61.300 -0.574 0.000 1.154 273 I CB 1.672 39.393 38.000 -0.465 0.000 1.315 273 I HN 0.611 nan 8.210 nan 0.000 0.448 274 Q N 6.698 126.116 119.800 -0.637 0.000 2.495 274 Q HA 0.641 4.980 4.340 -0.001 0.000 0.287 274 Q C -2.988 172.574 176.000 -0.730 0.000 1.078 274 Q CA -2.261 52.980 55.803 -0.936 0.000 0.793 274 Q CB 2.531 30.616 28.738 -1.088 0.000 1.459 274 Q HN 0.172 nan 8.270 nan 0.000 0.422 275 P HA 0.172 nan 4.420 nan 0.000 0.269 275 P C -0.520 176.584 177.300 -0.327 0.000 1.215 275 P CA 0.540 63.366 63.100 -0.456 0.000 0.780 275 P CB 0.910 32.398 31.700 -0.354 0.000 0.898 276 T N -2.110 112.312 114.554 -0.220 0.000 5.601 276 T HA -0.023 4.327 4.350 -0.001 0.000 0.270 276 T C -2.710 171.920 174.700 -0.118 0.000 2.207 276 T CA -0.148 61.864 62.100 -0.147 0.000 3.784 276 T CB -2.266 66.520 68.868 -0.138 0.000 0.428 276 T HN 0.421 nan 8.240 nan 0.000 0.338 277 P HA 0.819 nan 4.420 nan 0.000 0.290 277 P C -1.273 175.916 177.300 -0.185 0.000 1.283 277 P CA -0.613 62.358 63.100 -0.215 0.000 0.869 277 P CB 1.057 32.605 31.700 -0.253 0.000 1.100 278 I N 1.458 121.899 120.570 -0.215 0.000 2.410 278 I HA 0.292 4.462 4.170 -0.001 0.000 0.286 278 I C 0.067 176.090 176.117 -0.156 0.000 1.009 278 I CA -1.065 60.140 61.300 -0.157 0.000 1.111 278 I CB 2.125 40.055 38.000 -0.117 0.000 1.262 278 I HN 0.058 nan 8.210 nan 0.000 0.443 279 V N 6.179 126.012 119.914 -0.136 0.000 2.539 279 V HA 0.613 4.732 4.120 -0.001 0.000 0.292 279 V C -0.243 175.837 176.094 -0.024 0.000 1.045 279 V CA 0.308 62.515 62.300 -0.156 0.000 0.945 279 V CB 1.860 33.525 31.823 -0.264 0.000 0.993 279 V HN 0.804 nan 8.190 nan 0.000 0.464 280 T N 6.647 121.192 114.554 -0.015 0.000 2.879 280 T HA 0.509 4.859 4.350 -0.001 0.000 0.290 280 T C -1.257 173.481 174.700 0.063 0.000 0.993 280 T CA -0.036 62.135 62.100 0.118 0.000 0.975 280 T CB 0.960 69.935 68.868 0.179 0.000 0.981 280 T HN 0.549 nan 8.240 nan 0.000 0.439 281 Y N 2.526 122.938 120.300 0.185 0.000 2.341 281 Y HA 0.479 5.029 4.550 -0.001 0.000 0.340 281 Y C 1.050 176.981 175.900 0.052 0.000 0.997 281 Y CA -1.020 57.186 58.100 0.176 0.000 1.149 281 Y CB 0.986 39.609 38.460 0.272 0.000 1.171 281 Y HN 0.255 nan 8.280 nan 0.000 0.494 282 R N 3.173 123.762 120.500 0.149 0.000 2.360 282 R HA 0.602 4.942 4.340 -0.001 0.000 0.318 282 R C -1.333 174.987 176.300 0.033 0.000 0.950 282 R CA -0.841 55.214 56.100 -0.075 0.000 0.837 282 R CB 2.095 32.400 30.300 0.008 0.000 1.165 282 R HN 0.498 nan 8.270 nan 0.000 0.458 283 V N 1.934 121.773 119.914 -0.125 0.000 2.735 283 V HA 0.328 4.448 4.120 -0.001 0.000 0.310 283 V C 0.847 176.954 176.094 0.022 0.000 1.061 283 V CA -0.397 61.917 62.300 0.023 0.000 0.913 283 V CB 2.240 34.090 31.823 0.046 0.000 1.005 283 V HN 0.909 nan 8.190 nan 0.000 0.428 284 T N 1.834 116.442 114.554 0.090 0.000 3.107 284 T HA 0.597 4.946 4.350 -0.001 0.000 0.249 284 T C 0.723 175.525 174.700 0.171 0.000 1.096 284 T CA 0.580 62.763 62.100 0.139 0.000 1.012 284 T CB -0.148 68.721 68.868 0.003 0.000 0.977 284 T HN 1.628 nan 8.240 nan 0.000 0.527 285 G N -1.187 107.676 108.800 0.105 0.000 2.427 285 G HA2 0.559 4.518 3.960 -0.001 0.000 0.306 285 G HA3 0.559 4.518 3.960 -0.001 0.000 0.306 285 G C 0.040 175.002 174.900 0.103 0.000 1.280 285 G CA -0.130 45.065 45.100 0.159 0.000 0.837 285 G HN 1.001 nan 8.290 nan 0.000 0.482 286 G N -1.024 107.881 108.800 0.175 0.000 2.562 286 G HA2 0.254 4.214 3.960 -0.001 0.000 0.250 286 G HA3 0.254 4.214 3.960 -0.001 0.000 0.250 286 G C 0.220 175.140 174.900 0.033 0.000 1.269 286 G CA 0.951 46.156 45.100 0.175 0.000 0.919 286 G HN 2.093 nan 8.290 nan 0.000 0.574 287 I N -2.695 117.881 120.570 0.010 0.000 3.264 287 I HA 0.823 4.993 4.170 -0.001 0.000 0.309 287 I C 0.048 176.160 176.117 -0.008 0.000 1.099 287 I CA -1.548 59.783 61.300 0.053 0.000 0.989 287 I CB 1.803 39.860 38.000 0.096 0.000 1.250 287 I HN 0.545 nan 8.210 nan 0.000 0.478 288 L N 1.814 123.099 121.223 0.102 0.000 2.265 288 L HA 0.446 4.786 4.340 -0.001 0.000 0.289 288 L C -1.172 175.612 176.870 -0.143 0.000 1.033 288 L CA -0.034 54.815 54.840 0.014 0.000 0.814 288 L CB 0.803 43.048 42.059 0.309 0.000 1.203 288 L HN 0.599 nan 8.230 nan 0.000 0.423 289 D N 3.888 124.021 120.400 -0.445 0.000 2.375 289 D HA 0.339 4.979 4.640 -0.001 0.000 0.259 289 D C -1.121 174.684 176.300 -0.825 0.000 1.235 289 D CA -0.178 53.501 54.000 -0.535 0.000 0.924 289 D CB 0.607 41.176 40.800 -0.385 0.000 1.143 289 D HN 0.044 nan 8.370 nan 0.000 0.529 290 F N 2.341 121.689 119.950 -1.004 0.000 2.421 290 F HA 0.460 4.987 4.527 -0.001 0.000 0.337 290 F C -0.173 175.050 175.800 -0.963 0.000 1.105 290 F CA -0.642 56.768 58.000 -0.984 0.000 1.049 290 F CB 1.242 39.448 39.000 -1.323 0.000 1.139 290 F HN 0.164 nan 8.300 nan 0.000 0.479 291 Y N 3.292 123.420 120.300 -0.287 0.000 2.393 291 Y HA 0.642 5.192 4.550 -0.001 0.000 0.341 291 Y C -0.384 175.474 175.900 -0.070 0.000 0.988 291 Y CA -0.851 57.142 58.100 -0.178 0.000 1.078 291 Y CB 1.614 40.065 38.460 -0.014 0.000 1.203 291 Y HN 0.316 nan 8.280 nan 0.000 0.453 292 I N 4.538 125.135 120.570 0.045 0.000 2.436 292 I HA 0.346 4.515 4.170 -0.001 0.000 0.289 292 I C -1.461 174.714 176.117 0.096 0.000 1.010 292 I CA -0.656 60.684 61.300 0.067 0.000 1.098 292 I CB 1.400 39.385 38.000 -0.025 0.000 1.266 292 I HN 0.326 nan 8.210 nan 0.000 0.434 293 L N 7.577 128.909 121.223 0.181 0.000 2.342 293 L HA 0.479 4.818 4.340 -0.001 0.000 0.276 293 L C -0.635 176.356 176.870 0.202 0.000 0.997 293 L CA -0.225 54.716 54.840 0.169 0.000 0.838 293 L CB 1.175 43.345 42.059 0.184 0.000 1.224 293 L HN 0.360 nan 8.230 nan 0.000 0.416 294 L N 2.399 123.724 121.223 0.169 0.000 2.375 294 L HA 0.915 5.255 4.340 -0.001 0.000 0.271 294 L C 0.766 177.708 176.870 0.119 0.000 1.107 294 L CA 0.194 55.139 54.840 0.174 0.000 0.806 294 L CB 1.546 43.707 42.059 0.170 0.000 1.146 294 L HN 0.690 nan 8.230 nan 0.000 0.447 295 G N 0.221 109.074 108.800 0.088 0.000 2.698 295 G HA2 0.344 4.303 3.960 -0.001 0.000 0.293 295 G HA3 0.344 4.303 3.960 -0.001 0.000 0.293 295 G C -0.456 174.435 174.900 -0.015 0.000 1.437 295 G CA -0.409 44.706 45.100 0.025 0.000 0.852 295 G HN 0.460 nan 8.290 nan 0.000 0.499 296 D N -0.353 120.024 120.400 -0.038 0.000 2.194 296 D HA 0.066 4.706 4.640 -0.001 0.000 0.204 296 D C 1.661 177.859 176.300 -0.170 0.000 0.964 296 D CA 1.800 55.760 54.000 -0.066 0.000 0.846 296 D CB 0.382 41.160 40.800 -0.036 0.000 0.962 296 D HN 0.603 nan 8.370 nan 0.000 0.490 297 T N -3.711 110.716 114.554 -0.212 0.000 2.887 297 T HA 0.403 4.752 4.350 -0.001 0.000 0.292 297 T C -2.353 172.140 174.700 -0.344 0.000 1.087 297 T CA -1.786 60.075 62.100 -0.398 0.000 1.009 297 T CB 2.397 71.072 68.868 -0.321 0.000 1.203 297 T HN -0.374 nan 8.240 nan 0.000 0.518 298 P HA -0.064 nan 4.420 nan 0.000 0.215 298 P C 1.618 178.626 177.300 -0.487 0.000 1.153 298 P CA 0.876 63.679 63.100 -0.494 0.000 0.853 298 P CB 0.091 31.373 31.700 -0.696 0.000 0.788 299 E N -0.212 119.708 120.200 -0.467 0.000 2.114 299 E HA -0.269 4.080 4.350 -0.001 0.000 0.199 299 E C 2.063 178.610 176.600 -0.088 0.000 1.008 299 E CA 1.331 57.619 56.400 -0.188 0.000 0.810 299 E CB -0.467 29.214 29.700 -0.031 0.000 0.739 299 E HN 0.406 nan 8.360 nan 0.000 0.456 300 Q N 0.212 119.951 119.800 -0.102 0.000 2.167 300 Q HA -0.098 4.242 4.340 -0.001 0.000 0.202 300 Q C 2.203 178.188 176.000 -0.025 0.000 0.970 300 Q CA 0.959 56.730 55.803 -0.053 0.000 0.855 300 Q CB 0.271 28.976 28.738 -0.054 0.000 0.911 300 Q HN 0.088 nan 8.270 nan 0.000 0.438 301 V N -0.214 119.681 119.914 -0.032 0.000 2.307 301 V HA -0.230 3.890 4.120 -0.001 0.000 0.245 301 V C 2.265 178.410 176.094 0.084 0.000 1.045 301 V CA 1.418 63.742 62.300 0.041 0.000 1.024 301 V CB -0.453 31.393 31.823 0.040 0.000 0.651 301 V HN 0.231 nan 8.190 nan 0.000 0.449 302 V N -0.329 119.634 119.914 0.081 0.000 2.332 302 V HA -0.359 3.761 4.120 -0.001 0.000 0.248 302 V C 2.490 178.599 176.094 0.024 0.000 1.055 302 V CA 2.153 64.513 62.300 0.101 0.000 1.038 302 V CB -0.757 31.159 31.823 0.154 0.000 0.651 302 V HN 0.596 nan 8.190 nan 0.000 0.450 303 Q N -1.006 118.795 119.800 0.002 0.000 2.084 303 Q HA -0.231 4.109 4.340 -0.001 0.000 0.202 303 Q C 2.470 178.432 176.000 -0.064 0.000 0.978 303 Q CA 1.389 57.173 55.803 -0.031 0.000 0.844 303 Q CB -0.181 28.549 28.738 -0.013 0.000 0.898 303 Q HN 0.585 nan 8.270 nan 0.000 0.426 304 Q N -0.517 119.262 119.800 -0.035 0.000 2.119 304 Q HA -0.173 4.167 4.340 -0.001 0.000 0.201 304 Q C 1.801 177.731 176.000 -0.116 0.000 0.972 304 Q CA 1.160 56.935 55.803 -0.047 0.000 0.847 304 Q CB -0.225 28.520 28.738 0.011 0.000 0.903 304 Q HN 0.481 nan 8.270 nan 0.000 0.433 305 Y N 1.425 121.551 120.300 -0.291 0.000 2.200 305 Y HA -0.199 4.350 4.550 -0.001 0.000 0.290 305 Y C 2.197 177.794 175.900 -0.505 0.000 1.137 305 Y CA 1.776 59.560 58.100 -0.526 0.000 1.163 305 Y CB -0.088 37.786 38.460 -0.976 0.000 0.988 305 Y HN 0.093 nan 8.280 nan 0.000 0.518 306 Q N -0.347 119.159 119.800 -0.490 0.000 2.119 306 Q HA -0.212 4.128 4.340 -0.001 0.000 0.201 306 Q C 2.324 178.042 176.000 -0.471 0.000 0.972 306 Q CA 1.437 56.923 55.803 -0.530 0.000 0.847 306 Q CB -0.086 28.467 28.738 -0.309 0.000 0.903 306 Q HN 0.527 nan 8.270 nan 0.000 0.433 307 Q N 0.264 119.871 119.800 -0.323 0.000 2.045 307 Q HA -0.217 4.123 4.340 -0.001 0.000 0.206 307 Q C 2.250 178.098 176.000 -0.253 0.000 0.991 307 Q CA 1.291 56.954 55.803 -0.232 0.000 0.851 307 Q CB -0.431 28.225 28.738 -0.137 0.000 0.911 307 Q HN 0.335 nan 8.270 nan 0.000 0.418 308 L N -0.118 120.894 121.223 -0.350 0.000 1.989 308 L HA -0.133 4.207 4.340 -0.001 0.000 0.211 308 L C 2.123 178.719 176.870 -0.458 0.000 1.071 308 L CA 1.672 56.275 54.840 -0.396 0.000 0.749 308 L CB -0.499 41.236 42.059 -0.540 0.000 0.890 308 L HN -0.027 nan 8.230 nan 0.000 0.431 309 V N -0.587 118.872 119.914 -0.758 0.000 3.174 309 V HA 0.454 4.573 4.120 -0.001 0.000 0.254 309 V C 0.856 176.481 176.094 -0.781 0.000 1.120 309 V CA 0.620 62.431 62.300 -0.816 0.000 1.114 309 V CB -0.359 30.733 31.823 -1.219 0.000 0.756 309 V HN 0.713 nan 8.190 nan 0.000 0.467 310 G N -0.039 108.182 108.800 -0.964 0.000 2.521 310 G HA2 0.076 4.035 3.960 -0.001 0.000 0.589 310 G HA3 0.076 4.035 3.960 -0.001 0.000 0.589 310 G C -1.140 173.341 174.900 -0.698 0.000 1.501 310 G CA -1.002 43.359 45.100 -1.230 0.000 0.887 310 G HN 0.121 nan 8.290 nan 0.000 0.654 311 L N 3.397 124.271 121.223 -0.582 0.000 2.395 311 L HA 0.475 4.815 4.340 -0.001 0.000 0.269 311 L C -1.261 175.413 176.870 -0.327 0.000 1.133 311 L CA -1.761 52.830 54.840 -0.415 0.000 0.812 311 L CB 0.973 42.773 42.059 -0.432 0.000 1.125 311 L HN 0.406 nan 8.230 nan 0.000 0.452 312 P HA 0.067 nan 4.420 nan 0.000 0.269 312 P C -0.772 176.525 177.300 -0.006 0.000 1.215 312 P CA -0.443 62.592 63.100 -0.108 0.000 0.780 312 P CB 0.667 32.347 31.700 -0.032 0.000 0.898 313 A N 2.908 125.720 122.820 -0.012 0.000 2.445 313 A HA 0.267 4.586 4.320 -0.001 0.000 0.242 313 A C 0.493 178.074 177.584 -0.006 0.000 1.075 313 A CA -0.193 51.861 52.037 0.029 0.000 0.777 313 A CB -0.406 18.563 19.000 -0.051 0.000 1.013 313 A HN 0.626 nan 8.150 nan 0.000 0.493 314 M N 4.647 124.126 119.600 -0.202 0.000 2.162 314 M HA 0.375 4.854 4.480 -0.001 0.000 0.356 314 M C -2.076 174.054 176.300 -0.283 0.000 1.303 314 M CA -1.730 53.347 55.300 -0.372 0.000 1.116 314 M CB 0.699 32.840 32.600 -0.764 0.000 1.632 314 M HN 0.480 nan 8.290 nan 0.000 0.469 315 P HA 0.321 nan 4.420 nan 0.000 0.276 315 P C -1.353 175.818 177.300 -0.215 0.000 1.261 315 P CA -0.568 62.332 63.100 -0.335 0.000 0.800 315 P CB 0.447 31.799 31.700 -0.580 0.000 1.066 316 A N 0.601 123.254 122.820 -0.277 0.000 2.371 316 A HA 0.073 4.393 4.320 -0.001 0.000 0.257 316 A C 1.059 178.505 177.584 -0.230 0.000 1.089 316 A CA -0.284 51.616 52.037 -0.229 0.000 0.794 316 A CB -0.595 18.148 19.000 -0.428 0.000 1.029 316 A HN 0.663 nan 8.150 nan 0.000 0.488 317 Y N 1.658 121.836 120.300 -0.203 0.000 2.151 317 Y HA -0.269 4.281 4.550 -0.001 0.000 0.284 317 Y C 2.155 177.939 175.900 -0.194 0.000 1.166 317 Y CA 2.976 60.896 58.100 -0.300 0.000 1.163 317 Y CB -0.098 38.074 38.460 -0.480 0.000 0.974 317 Y HN 0.882 nan 8.280 nan 0.000 0.511 318 W N -0.012 121.284 121.300 -0.006 0.000 2.525 318 W HA -0.121 4.539 4.660 -0.001 0.000 0.259 318 W C 0.981 177.393 176.519 -0.179 0.000 1.253 318 W CA 0.851 58.157 57.345 -0.065 0.000 1.262 318 W CB -1.188 28.249 29.460 -0.039 0.000 1.122 318 W HN 0.130 nan 8.180 nan 0.000 0.607 319 N N 1.963 120.169 118.700 -0.824 0.000 2.272 319 N HA -0.142 4.598 4.740 -0.001 0.000 0.185 319 N C 1.767 177.039 175.510 -0.397 0.000 1.014 319 N CA 1.669 54.238 53.050 -0.802 0.000 0.870 319 N CB -0.818 37.266 38.487 -0.672 0.000 0.975 319 N HN 0.334 nan 8.380 nan 0.000 0.433 320 L N -0.571 120.440 121.223 -0.354 0.000 2.558 320 L HA 0.214 4.554 4.340 -0.001 0.000 0.225 320 L C 1.333 178.060 176.870 -0.239 0.000 1.128 320 L CA -0.304 54.367 54.840 -0.281 0.000 0.868 320 L CB -0.510 41.321 42.059 -0.381 0.000 1.006 320 L HN 0.012 nan 8.230 nan 0.000 0.454 321 G N -0.294 108.395 108.800 -0.185 0.000 2.569 321 G HA2 0.108 4.067 3.960 -0.001 0.000 0.249 321 G HA3 0.108 4.067 3.960 -0.001 0.000 0.249 321 G C -0.738 174.236 174.900 0.124 0.000 1.216 321 G CA -0.396 44.679 45.100 -0.042 0.000 0.845 321 G HN -0.071 nan 8.290 nan 0.000 0.568 322 F N 0.287 120.356 119.950 0.199 0.000 2.471 322 F HA 0.315 4.841 4.527 -0.001 0.000 0.353 322 F C 0.681 176.575 175.800 0.155 0.000 1.113 322 F CA -0.073 58.016 58.000 0.149 0.000 1.262 322 F CB 0.821 39.975 39.000 0.257 0.000 1.146 322 F HN 0.374 nan 8.300 nan 0.000 0.578 323 Q N 6.085 125.421 119.800 -0.774 0.000 2.353 323 Q HA 0.523 4.863 4.340 -0.001 0.000 0.268 323 Q C -1.327 174.206 176.000 -0.780 0.000 1.045 323 Q CA -0.945 54.538 55.803 -0.533 0.000 0.811 323 Q CB 2.801 31.296 28.738 -0.405 0.000 1.305 323 Q HN 0.625 nan 8.270 nan 0.000 0.447 324 L N 1.059 122.110 121.223 -0.287 0.000 2.331 324 L HA 0.725 5.065 4.340 -0.001 0.000 0.275 324 L C -0.167 176.749 176.870 0.076 0.000 1.022 324 L CA -0.437 54.310 54.840 -0.155 0.000 0.812 324 L CB 1.927 43.924 42.059 -0.103 0.000 1.257 324 L HN 0.607 nan 8.230 nan 0.000 0.435 325 S N 1.984 117.787 115.700 0.170 0.000 2.578 325 S HA 0.761 5.230 4.470 -0.001 0.000 0.272 325 S C -1.675 173.096 174.600 0.285 0.000 1.145 325 S CA -0.793 57.613 58.200 0.343 0.000 0.835 325 S CB 1.750 65.089 63.200 0.232 0.000 1.104 325 S HN 0.767 nan 8.310 nan 0.000 0.458 326 R N 1.082 121.676 120.500 0.156 0.000 2.664 326 R HA 0.466 4.805 4.340 -0.001 0.000 0.266 326 R C -2.208 174.091 176.300 -0.002 0.000 1.046 326 R CA -0.881 55.097 56.100 -0.203 0.000 0.885 326 R CB 0.032 29.987 30.300 -0.576 0.000 1.254 326 R HN 0.520 nan 8.270 nan 0.000 0.465 327 W N 4.503 125.687 121.300 -0.193 0.000 2.345 327 W HA 0.350 5.010 4.660 -0.001 0.000 0.308 327 W C -0.351 176.060 176.519 -0.180 0.000 1.273 327 W CA -0.118 57.193 57.345 -0.055 0.000 1.243 327 W CB 0.021 29.507 29.460 0.044 0.000 1.260 327 W HN 0.888 nan 8.180 nan 0.000 0.509 328 N N 5.209 123.955 118.700 0.077 0.000 2.531 328 N HA -0.284 4.456 4.740 -0.001 0.000 0.279 328 N C -0.363 175.079 175.510 -0.113 0.000 1.267 328 N CA 0.619 53.609 53.050 -0.100 0.000 0.663 328 N CB -1.484 36.731 38.487 -0.452 0.000 0.886 328 N HN 0.523 nan 8.380 nan 0.000 0.544 329 Y N 1.317 121.697 120.300 0.135 0.000 2.519 329 Y HA 0.067 4.616 4.550 -0.001 0.000 0.287 329 Y C 2.178 178.120 175.900 0.071 0.000 1.128 329 Y CA 1.951 60.125 58.100 0.124 0.000 1.282 329 Y CB -0.200 38.386 38.460 0.211 0.000 1.027 329 Y HN 0.739 nan 8.280 nan 0.000 0.551 330 K N 0.054 120.597 120.400 0.238 0.000 4.018 330 K HA -0.265 4.054 4.320 -0.001 0.000 0.416 330 K C 0.675 177.348 176.600 0.122 0.000 0.464 330 K CA 1.393 57.765 56.287 0.142 0.000 1.816 330 K CB -2.313 30.210 32.500 0.038 0.000 0.928 330 K HN 0.706 nan 8.250 nan 0.000 0.497 331 S N -1.830 113.837 115.700 -0.054 0.000 2.570 331 S HA 0.669 5.139 4.470 -0.001 0.000 0.270 331 S C 0.455 174.563 174.600 -0.820 0.000 1.149 331 S CA -0.005 57.923 58.200 -0.455 0.000 0.837 331 S CB 1.658 64.716 63.200 -0.237 0.000 1.124 331 S HN 1.448 nan 8.310 nan 0.000 0.465 332 L N 1.347 121.795 121.223 -1.291 0.000 2.187 332 L HA -0.000 4.339 4.340 -0.001 0.000 0.213 332 L C 1.384 177.919 176.870 -0.559 0.000 1.100 332 L CA 2.132 56.378 54.840 -0.989 0.000 0.765 332 L CB -1.030 40.605 42.059 -0.707 0.000 0.904 332 L HN 0.822 nan 8.230 nan 0.000 0.437 333 D N -1.307 118.864 120.400 -0.381 0.000 2.144 333 D HA -0.134 4.506 4.640 -0.001 0.000 0.200 333 D C 2.290 178.470 176.300 -0.199 0.000 0.978 333 D CA 1.416 55.276 54.000 -0.234 0.000 0.833 333 D CB -0.192 40.516 40.800 -0.153 0.000 0.961 333 D HN 0.258 nan 8.370 nan 0.000 0.470 334 V N 0.369 120.173 119.914 -0.183 0.000 2.379 334 V HA -0.160 3.960 4.120 -0.001 0.000 0.245 334 V C 2.550 178.546 176.094 -0.162 0.000 1.044 334 V CA 0.763 63.015 62.300 -0.080 0.000 1.036 334 V CB -0.409 31.458 31.823 0.073 0.000 0.664 334 V HN 0.064 nan 8.190 nan 0.000 0.453 335 V N 0.107 119.800 119.914 -0.369 0.000 2.252 335 V HA -0.363 3.756 4.120 -0.001 0.000 0.249 335 V C 2.463 178.335 176.094 -0.370 0.000 1.056 335 V CA 2.373 64.297 62.300 -0.626 0.000 1.022 335 V CB -0.822 30.588 31.823 -0.688 0.000 0.641 335 V HN 0.509 nan 8.190 nan 0.000 0.445 336 K N -0.025 120.158 120.400 -0.362 0.000 2.044 336 K HA -0.245 4.074 4.320 -0.001 0.000 0.210 336 K C 2.500 179.066 176.600 -0.057 0.000 1.049 336 K CA 2.146 58.344 56.287 -0.148 0.000 0.927 336 K CB -0.461 31.951 32.500 -0.147 0.000 0.713 336 K HN 0.676 nan 8.250 nan 0.000 0.443 337 E N 0.828 120.976 120.200 -0.087 0.000 2.118 337 E HA -0.144 4.206 4.350 -0.001 0.000 0.195 337 E C 2.041 178.617 176.600 -0.039 0.000 0.992 337 E CA 1.740 58.108 56.400 -0.054 0.000 0.804 337 E CB -1.017 28.645 29.700 -0.063 0.000 0.741 337 E HN 0.143 nan 8.360 nan 0.000 0.458 338 V N 0.659 120.540 119.914 -0.054 0.000 2.295 338 V HA -0.243 3.877 4.120 -0.001 0.000 0.246 338 V C 2.677 178.776 176.094 0.009 0.000 1.049 338 V CA 1.731 64.018 62.300 -0.021 0.000 1.024 338 V CB -0.287 31.554 31.823 0.031 0.000 0.648 338 V HN 0.514 nan 8.190 nan 0.000 0.447 339 V N 1.372 121.320 119.914 0.057 0.000 2.255 339 V HA -0.320 3.799 4.120 -0.001 0.000 0.247 339 V C 2.650 178.826 176.094 0.136 0.000 1.051 339 V CA 2.757 65.165 62.300 0.179 0.000 1.018 339 V CB -0.947 31.031 31.823 0.258 0.000 0.641 339 V HN 0.748 nan 8.190 nan 0.000 0.445 340 R N 1.865 122.406 120.500 0.069 0.000 2.115 340 R HA -0.151 4.189 4.340 -0.001 0.000 0.226 340 R C 2.263 178.587 176.300 0.040 0.000 1.100 340 R CA 1.657 57.782 56.100 0.042 0.000 0.980 340 R CB -0.691 29.621 30.300 0.021 0.000 0.875 340 R HN 0.621 nan 8.270 nan 0.000 0.445 341 R N 0.139 120.656 120.500 0.027 0.000 2.148 341 R HA 0.071 4.411 4.340 -0.001 0.000 0.223 341 R C 1.385 177.703 176.300 0.030 0.000 1.088 341 R CA 1.492 57.603 56.100 0.020 0.000 0.985 341 R CB -0.449 29.855 30.300 0.007 0.000 0.880 341 R HN 0.268 nan 8.270 nan 0.000 0.451 342 N N 0.734 119.451 118.700 0.029 0.000 2.290 342 N HA 0.008 4.747 4.740 -0.001 0.000 0.179 342 N C 1.624 177.210 175.510 0.126 0.000 1.016 342 N CA 0.577 53.635 53.050 0.014 0.000 0.871 342 N CB -0.009 38.364 38.487 -0.189 0.000 0.987 342 N HN 0.296 nan 8.380 nan 0.000 0.431 343 R N 1.311 121.933 120.500 0.203 0.000 2.091 343 R HA -0.134 4.206 4.340 -0.001 0.000 0.238 343 R C 1.955 178.313 176.300 0.097 0.000 1.136 343 R CA 1.101 57.312 56.100 0.185 0.000 0.959 343 R CB -0.234 30.127 30.300 0.101 0.000 0.856 343 R HN 0.411 nan 8.270 nan 0.000 0.437 344 E N 0.541 120.782 120.200 0.067 0.000 2.106 344 E HA -0.127 4.223 4.350 -0.001 0.000 0.192 344 E C 1.443 178.065 176.600 0.035 0.000 0.984 344 E CA 1.050 57.475 56.400 0.043 0.000 0.806 344 E CB 0.032 29.750 29.700 0.030 0.000 0.750 344 E HN 0.344 nan 8.360 nan 0.000 0.458 345 A N 0.013 122.857 122.820 0.039 0.000 2.238 345 A HA 0.241 4.561 4.320 -0.001 0.000 0.208 345 A C 1.631 179.230 177.584 0.026 0.000 1.177 345 A CA 0.823 52.877 52.037 0.028 0.000 0.804 345 A CB -0.475 18.542 19.000 0.029 0.000 0.823 345 A HN 0.465 nan 8.150 nan 0.000 0.482 346 G N -0.542 108.282 108.800 0.040 0.000 2.153 346 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.252 346 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.252 346 G C 0.056 174.969 174.900 0.021 0.000 0.994 346 G CA 0.170 45.287 45.100 0.028 0.000 0.698 346 G HN 0.354 nan 8.290 nan 0.000 0.521 347 I N 1.448 122.051 120.570 0.054 0.000 2.517 347 I HA 0.169 4.339 4.170 -0.001 0.000 0.285 347 I C -1.799 174.395 176.117 0.129 0.000 1.106 347 I CA -2.200 59.127 61.300 0.046 0.000 1.402 347 I CB 0.407 38.428 38.000 0.034 0.000 1.399 347 I HN -0.088 nan 8.210 nan 0.000 0.535 348 P HA 0.210 nan 4.420 nan 0.000 0.276 348 P C -0.906 176.513 177.300 0.199 0.000 1.264 348 P CA 0.133 63.117 63.100 -0.193 0.000 0.769 348 P CB -0.080 31.157 31.700 -0.771 0.000 0.840 349 F N 0.405 120.403 119.950 0.079 0.000 2.605 349 F HA 0.479 5.006 4.527 -0.001 0.000 0.320 349 F C -0.050 175.875 175.800 0.210 0.000 1.159 349 F CA -0.888 57.288 58.000 0.293 0.000 0.999 349 F CB 1.414 40.644 39.000 0.384 0.000 1.258 349 F HN -0.012 nan 8.300 nan 0.000 0.464 350 D N 1.124 121.648 120.400 0.207 0.000 2.201 350 D HA 0.055 4.695 4.640 -0.001 0.000 0.209 350 D C 0.619 176.887 176.300 -0.052 0.000 0.961 350 D CA 1.680 55.718 54.000 0.064 0.000 0.861 350 D CB 0.514 41.455 40.800 0.233 0.000 0.997 350 D HN 0.668 nan 8.370 nan 0.000 0.486 351 T N -1.136 113.460 114.554 0.070 0.000 2.900 351 T HA 0.498 4.848 4.350 -0.001 0.000 0.295 351 T C -1.491 173.318 174.700 0.182 0.000 1.044 351 T CA -0.877 61.267 62.100 0.074 0.000 0.995 351 T CB 1.824 70.771 68.868 0.132 0.000 1.072 351 T HN -0.205 nan 8.240 nan 0.000 0.473 352 Q N 3.201 123.120 119.800 0.199 0.000 2.341 352 Q HA 0.613 4.952 4.340 -0.001 0.000 0.268 352 Q C -1.323 174.840 176.000 0.272 0.000 1.013 352 Q CA -0.565 55.420 55.803 0.305 0.000 0.798 352 Q CB 1.349 30.317 28.738 0.384 0.000 1.253 352 Q HN 0.667 nan 8.270 nan 0.000 0.457 353 V N 2.817 122.866 119.914 0.225 0.000 2.863 353 V HA 0.685 4.804 4.120 -0.001 0.000 0.307 353 V C -0.015 176.283 176.094 0.341 0.000 1.061 353 V CA -0.657 61.758 62.300 0.191 0.000 1.024 353 V CB 1.868 33.755 31.823 0.107 0.000 1.049 353 V HN 0.827 nan 8.190 nan 0.000 0.471 354 T N 2.017 116.744 114.554 0.288 0.000 3.031 354 T HA 0.240 4.589 4.350 -0.001 0.000 0.305 354 T C -0.545 174.389 174.700 0.389 0.000 0.985 354 T CA -0.462 61.872 62.100 0.391 0.000 1.008 354 T CB 0.900 69.962 68.868 0.324 0.000 1.005 354 T HN 0.865 nan 8.240 nan 0.000 0.444 355 D N 1.805 122.476 120.400 0.453 0.000 2.376 355 D HA 0.186 4.826 4.640 -0.001 0.000 0.268 355 D C 1.971 178.384 176.300 0.189 0.000 1.252 355 D CA -0.405 53.767 54.000 0.287 0.000 1.041 355 D CB 0.617 41.629 40.800 0.354 0.000 1.109 355 D HN 0.668 nan 8.370 nan 0.000 0.552 356 I N -1.245 119.272 120.570 -0.088 0.000 2.850 356 I HA -0.161 4.009 4.170 -0.001 0.000 0.266 356 I C 1.312 177.304 176.117 -0.209 0.000 1.257 356 I CA 0.889 62.028 61.300 -0.269 0.000 1.465 356 I CB -0.443 37.286 38.000 -0.450 0.000 1.091 356 I HN 0.173 nan 8.210 nan 0.000 0.467 357 D N 1.827 122.233 120.400 0.009 0.000 2.310 357 D HA -0.287 4.353 4.640 -0.001 0.000 0.212 357 D C 2.015 178.200 176.300 -0.191 0.000 0.965 357 D CA 1.242 55.269 54.000 0.044 0.000 0.879 357 D CB -0.773 40.172 40.800 0.243 0.000 0.921 357 D HN 0.753 nan 8.370 nan 0.000 0.510 358 Y N 0.783 120.809 120.300 -0.458 0.000 2.439 358 Y HA 0.146 4.695 4.550 -0.001 0.000 0.292 358 Y C 1.261 176.944 175.900 -0.362 0.000 1.130 358 Y CA -0.373 57.148 58.100 -0.964 0.000 1.254 358 Y CB -0.508 37.623 38.460 -0.548 0.000 1.000 358 Y HN -0.198 nan 8.280 nan 0.000 0.554 359 M N 1.568 120.683 119.600 -0.807 0.000 2.227 359 M HA 0.102 4.581 4.480 -0.001 0.000 0.316 359 M C 0.150 176.328 176.300 -0.204 0.000 1.144 359 M CA -0.272 54.690 55.300 -0.564 0.000 1.121 359 M CB 0.677 32.867 32.600 -0.682 0.000 1.440 359 M HN 0.155 nan 8.290 nan 0.000 0.473 360 E N 1.627 121.759 120.200 -0.113 0.000 2.129 360 E HA -0.019 4.330 4.350 -0.001 0.000 0.283 360 E C -0.840 175.699 176.600 -0.102 0.000 1.080 360 E CA -0.189 56.170 56.400 -0.068 0.000 0.867 360 E CB 0.240 29.910 29.700 -0.049 0.000 1.056 360 E HN 0.593 nan 8.360 nan 0.000 0.404 361 D N 4.877 125.236 120.400 -0.069 0.000 2.701 361 D HA -0.220 4.420 4.640 -0.001 0.000 0.235 361 D C -0.361 175.888 176.300 -0.084 0.000 1.155 361 D CA 1.332 55.296 54.000 -0.061 0.000 0.649 361 D CB -0.732 40.027 40.800 -0.068 0.000 1.050 361 D HN 0.795 nan 8.370 nan 0.000 0.425 362 K N -3.982 116.351 120.400 -0.112 0.000 3.088 362 K HA -0.252 4.068 4.320 -0.001 0.000 0.273 362 K C 0.565 177.076 176.600 -0.149 0.000 1.111 362 K CA 1.604 57.812 56.287 -0.132 0.000 0.803 362 K CB -2.077 30.418 32.500 -0.008 0.000 1.226 362 K HN 0.623 nan 8.250 nan 0.000 0.485 363 K N 1.709 121.990 120.400 -0.197 0.000 2.201 363 K HA 0.242 4.561 4.320 -0.001 0.000 0.278 363 K C -0.185 176.322 176.600 -0.155 0.000 1.027 363 K CA -0.506 55.658 56.287 -0.205 0.000 0.909 363 K CB 0.610 32.869 32.500 -0.403 0.000 1.062 363 K HN 0.139 nan 8.250 nan 0.000 0.465 364 D N 1.045 121.402 120.400 -0.071 0.000 2.506 364 D HA 0.190 4.830 4.640 -0.001 0.000 0.234 364 D C 0.077 176.273 176.300 -0.174 0.000 1.143 364 D CA 0.694 54.532 54.000 -0.270 0.000 0.871 364 D CB -0.290 40.371 40.800 -0.231 0.000 1.190 364 D HN 0.556 nan 8.370 nan 0.000 0.459 365 F N -1.560 118.132 119.950 -0.430 0.000 3.018 365 F HA -0.269 4.257 4.527 -0.001 0.000 0.287 365 F C 0.896 176.412 175.800 -0.472 0.000 0.813 365 F CA 0.882 58.360 58.000 -0.869 0.000 1.209 365 F CB -2.547 36.204 39.000 -0.414 0.000 1.321 365 F HN 0.337 nan 8.300 nan 0.000 0.477 366 T N -2.472 112.027 114.554 -0.091 0.000 2.864 366 T HA 0.827 5.177 4.350 -0.001 0.000 0.289 366 T C -0.755 174.221 174.700 0.460 0.000 1.082 366 T CA -0.393 61.868 62.100 0.268 0.000 1.009 366 T CB 3.166 72.115 68.868 0.136 0.000 1.234 366 T HN 0.579 nan 8.240 nan 0.000 0.526 367 Y N -1.161 119.331 120.300 0.321 0.000 2.581 367 Y HA 0.682 5.231 4.550 -0.001 0.000 0.345 367 Y C -0.876 175.122 175.900 0.164 0.000 1.036 367 Y CA -1.384 56.867 58.100 0.253 0.000 1.042 367 Y CB 1.122 39.838 38.460 0.426 0.000 1.289 367 Y HN 0.607 nan 8.280 nan 0.000 0.471 368 D N 2.656 123.179 120.400 0.205 0.000 2.346 368 D HA 0.020 4.660 4.640 -0.001 0.000 0.267 368 D C 0.642 177.036 176.300 0.157 0.000 1.320 368 D CA 0.364 54.451 54.000 0.144 0.000 0.951 368 D CB 0.995 41.931 40.800 0.226 0.000 1.079 368 D HN 0.663 nan 8.370 nan 0.000 0.509 369 Q N 2.544 122.315 119.800 -0.048 0.000 2.364 369 Q HA -0.059 4.281 4.340 -0.001 0.000 0.207 369 Q C 1.514 177.555 176.000 0.070 0.000 0.970 369 Q CA 0.685 56.454 55.803 -0.057 0.000 0.888 369 Q CB 0.274 28.942 28.738 -0.116 0.000 0.951 369 Q HN 0.443 nan 8.270 nan 0.000 0.469 370 V N 0.371 120.338 119.914 0.087 0.000 2.465 370 V HA 0.002 4.121 4.120 -0.001 0.000 0.230 370 V C 2.130 178.285 176.094 0.103 0.000 1.084 370 V CA 1.461 63.809 62.300 0.080 0.000 1.092 370 V CB -1.062 30.795 31.823 0.056 0.000 0.730 370 V HN 0.243 nan 8.190 nan 0.000 0.491 371 A N -1.411 121.490 122.820 0.135 0.000 2.119 371 A HA 0.045 4.364 4.320 -0.001 0.000 0.217 371 A C 1.463 179.051 177.584 0.007 0.000 1.153 371 A CA 1.185 53.270 52.037 0.080 0.000 0.692 371 A CB -0.450 18.619 19.000 0.115 0.000 0.799 371 A HN 0.503 nan 8.150 nan 0.000 0.458 372 F N 0.107 120.133 119.950 0.127 0.000 2.928 372 F HA 0.280 4.806 4.527 -0.001 0.000 0.337 372 F C 0.368 176.302 175.800 0.222 0.000 1.259 372 F CA -1.068 57.032 58.000 0.166 0.000 1.267 372 F CB -0.146 39.016 39.000 0.271 0.000 0.986 372 F HN 0.104 nan 8.300 nan 0.000 0.507 373 N N 0.776 119.614 118.700 0.230 0.000 2.483 373 N HA 0.375 5.115 4.740 -0.001 0.000 0.264 373 N C 0.972 176.574 175.510 0.154 0.000 1.197 373 N CA 1.487 54.663 53.050 0.210 0.000 0.927 373 N CB 0.730 39.286 38.487 0.115 0.000 1.065 373 N HN 0.514 nan 8.380 nan 0.000 0.461 374 G N 2.424 111.339 108.800 0.191 0.000 2.131 374 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.223 374 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.223 374 G C 0.654 175.614 174.900 0.100 0.000 0.990 374 G CA 0.236 45.408 45.100 0.119 0.000 0.671 374 G HN 0.577 nan 8.290 nan 0.000 0.521 375 L N 1.090 122.370 121.223 0.095 0.000 1.989 375 L HA 0.091 4.431 4.340 -0.001 0.000 0.211 375 L C 0.351 177.176 176.870 -0.074 0.000 1.071 375 L CA 3.306 58.136 54.840 -0.017 0.000 0.749 375 L CB -0.853 41.054 42.059 -0.254 0.000 0.890 375 L HN 0.226 nan 8.230 nan 0.000 0.431 376 P HA -0.125 nan 4.420 nan 0.000 0.221 376 P C 1.298 178.559 177.300 -0.064 0.000 1.150 376 P CA 1.033 64.058 63.100 -0.125 0.000 0.800 376 P CB 0.068 31.707 31.700 -0.101 0.000 0.787 377 Q N -1.573 118.223 119.800 -0.006 0.000 2.083 377 Q HA -0.097 4.243 4.340 -0.001 0.000 0.198 377 Q C 1.890 177.899 176.000 0.014 0.000 0.969 377 Q CA 1.246 57.055 55.803 0.010 0.000 0.838 377 Q CB -1.266 27.495 28.738 0.037 0.000 0.900 377 Q HN 0.243 nan 8.270 nan 0.000 0.436 378 F N 0.127 120.011 119.950 -0.110 0.000 2.102 378 F HA -0.188 4.339 4.527 -0.001 0.000 0.298 378 F C 1.812 177.486 175.800 -0.209 0.000 1.105 378 F CA 0.931 58.847 58.000 -0.140 0.000 1.239 378 F CB -0.371 38.542 39.000 -0.146 0.000 0.991 378 F HN -0.135 nan 8.300 nan 0.000 0.474 379 V N 0.622 120.313 119.914 -0.371 0.000 2.282 379 V HA -0.375 3.745 4.120 -0.001 0.000 0.249 379 V C 2.467 178.356 176.094 -0.342 0.000 1.057 379 V CA 2.318 64.301 62.300 -0.527 0.000 1.032 379 V CB -0.926 30.687 31.823 -0.350 0.000 0.645 379 V HN 0.416 nan 8.190 nan 0.000 0.447 380 Q N 0.403 120.118 119.800 -0.141 0.000 2.096 380 Q HA -0.259 4.081 4.340 -0.001 0.000 0.204 380 Q C 1.811 177.756 176.000 -0.093 0.000 0.982 380 Q CA 2.433 58.214 55.803 -0.035 0.000 0.850 380 Q CB -0.664 28.052 28.738 -0.037 0.000 0.901 380 Q HN 0.745 nan 8.270 nan 0.000 0.422 381 D N -1.117 119.178 120.400 -0.176 0.000 2.144 381 D HA -0.129 4.511 4.640 -0.001 0.000 0.199 381 D C 1.740 177.953 176.300 -0.145 0.000 0.984 381 D CA 1.018 54.946 54.000 -0.121 0.000 0.834 381 D CB -0.082 40.644 40.800 -0.122 0.000 0.955 381 D HN 0.356 nan 8.370 nan 0.000 0.465 382 L N -0.642 120.305 121.223 -0.458 0.000 1.994 382 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 382 L C 2.323 179.002 176.870 -0.318 0.000 1.071 382 L CA 1.457 56.006 54.840 -0.485 0.000 0.745 382 L CB -0.568 41.061 42.059 -0.717 0.000 0.892 382 L HN 0.229 nan 8.230 nan 0.000 0.431 383 H N -0.810 118.147 119.070 -0.187 0.000 2.422 383 H HA -0.176 4.379 4.556 -0.001 0.000 0.298 383 H C 1.782 177.039 175.328 -0.118 0.000 1.098 383 H CA 1.309 57.268 56.048 -0.148 0.000 1.315 383 H CB 0.004 29.682 29.762 -0.141 0.000 1.382 383 H HN 0.297 nan 8.280 nan 0.000 0.523 384 D N -0.152 120.248 120.400 -0.001 0.000 2.218 384 D HA -0.101 4.538 4.640 -0.001 0.000 0.204 384 D C 1.067 177.241 176.300 -0.209 0.000 0.976 384 D CA 1.231 55.174 54.000 -0.095 0.000 0.853 384 D CB -0.117 40.610 40.800 -0.121 0.000 0.939 384 D HN 0.587 nan 8.370 nan 0.000 0.481 385 H N -1.209 117.790 119.070 -0.118 0.000 2.529 385 H HA 0.341 4.897 4.556 -0.001 0.000 0.277 385 H C 1.293 176.546 175.328 -0.124 0.000 1.004 385 H CA 0.459 56.435 56.048 -0.120 0.000 1.167 385 H CB 0.517 30.188 29.762 -0.152 0.000 1.445 385 H HN 0.089 nan 8.280 nan 0.000 0.554 386 G N 0.754 109.535 108.800 -0.030 0.000 2.176 386 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.252 386 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.252 386 G C 0.085 174.923 174.900 -0.103 0.000 1.024 386 G CA 0.066 45.136 45.100 -0.050 0.000 0.755 386 G HN 0.454 nan 8.290 nan 0.000 0.507 387 Q N -0.845 118.855 119.800 -0.167 0.000 2.194 387 Q HA 0.708 5.047 4.340 -0.001 0.000 0.245 387 Q C 0.082 175.876 176.000 -0.343 0.000 0.993 387 Q CA -0.784 54.863 55.803 -0.260 0.000 0.930 387 Q CB 1.221 29.757 28.738 -0.338 0.000 1.238 387 Q HN 0.138 nan 8.270 nan 0.000 0.486 388 K N 0.587 120.786 120.400 -0.334 0.000 2.340 388 K HA 0.417 4.736 4.320 -0.001 0.000 0.244 388 K C -1.549 174.966 176.600 -0.141 0.000 0.973 388 K CA -0.755 55.294 56.287 -0.396 0.000 0.828 388 K CB 1.753 33.787 32.500 -0.777 0.000 1.226 388 K HN 0.536 nan 8.250 nan 0.000 0.437 389 Y N 0.575 120.745 120.300 -0.215 0.000 2.329 389 Y HA 0.346 4.896 4.550 -0.001 0.000 0.328 389 Y C -1.321 174.653 175.900 0.124 0.000 0.992 389 Y CA -0.846 57.227 58.100 -0.045 0.000 1.151 389 Y CB 1.196 39.601 38.460 -0.092 0.000 1.150 389 Y HN 0.203 nan 8.280 nan 0.000 0.450 390 V N 8.004 127.772 119.914 -0.243 0.000 2.459 390 V HA 0.510 4.630 4.120 -0.001 0.000 0.295 390 V C -0.027 175.837 176.094 -0.383 0.000 1.029 390 V CA -0.746 61.488 62.300 -0.110 0.000 0.874 390 V CB 1.417 33.352 31.823 0.186 0.000 0.985 390 V HN 0.690 nan 8.190 nan 0.000 0.438 391 I N 2.465 122.853 120.570 -0.304 0.000 2.648 391 I HA 0.653 4.823 4.170 -0.001 0.000 0.304 391 I C -0.240 175.846 176.117 -0.052 0.000 1.009 391 I CA -0.730 60.370 61.300 -0.333 0.000 1.114 391 I CB 1.758 39.458 38.000 -0.501 0.000 1.293 391 I HN 0.529 nan 8.210 nan 0.000 0.449 392 I N 4.644 125.209 120.570 -0.007 0.000 2.519 392 I HA 0.410 4.580 4.170 -0.001 0.000 0.287 392 I C -1.013 174.997 176.117 -0.180 0.000 1.047 392 I CA -0.458 60.701 61.300 -0.234 0.000 1.381 392 I CB 0.877 38.513 38.000 -0.606 0.000 1.417 392 I HN 0.531 nan 8.210 nan 0.000 0.540 393 L N 6.802 127.883 121.223 -0.237 0.000 2.410 393 L HA 0.473 4.813 4.340 -0.001 0.000 0.270 393 L C -1.195 175.636 176.870 -0.066 0.000 0.983 393 L CA -0.846 53.898 54.840 -0.159 0.000 0.822 393 L CB 1.900 43.911 42.059 -0.080 0.000 1.285 393 L HN 0.549 nan 8.230 nan 0.000 0.409 394 D N 3.568 123.959 120.400 -0.015 0.000 2.217 394 D HA 0.300 4.939 4.640 -0.001 0.000 0.248 394 D C -1.860 174.578 176.300 0.229 0.000 1.008 394 D CA -1.363 52.685 54.000 0.080 0.000 0.914 394 D CB 2.322 43.173 40.800 0.085 0.000 1.182 394 D HN 0.226 nan 8.370 nan 0.000 0.451 395 P HA 0.024 nan 4.420 nan 0.000 0.221 395 P C 0.082 177.605 177.300 0.371 0.000 1.155 395 P CA 0.540 63.880 63.100 0.400 0.000 0.812 395 P CB 0.238 32.267 31.700 0.548 0.000 0.801 396 A N 0.923 123.859 122.820 0.193 0.000 2.520 396 A HA 0.263 4.583 4.320 -0.001 0.000 0.245 396 A C 0.121 177.712 177.584 0.013 0.000 1.072 396 A CA 0.454 52.449 52.037 -0.070 0.000 0.761 396 A CB -0.691 18.162 19.000 -0.245 0.000 1.004 396 A HN -0.012 nan 8.150 nan 0.000 0.499 397 I N 2.289 122.823 120.570 -0.060 0.000 2.378 397 I HA 0.218 4.387 4.170 -0.001 0.000 0.291 397 I C 0.822 176.864 176.117 -0.125 0.000 0.992 397 I CA -0.164 61.205 61.300 0.115 0.000 1.154 397 I CB 1.204 39.426 38.000 0.370 0.000 1.315 397 I HN 0.636 nan 8.210 nan 0.000 0.448 398 S N 5.218 120.904 115.700 -0.024 0.000 2.549 398 S HA 0.163 4.632 4.470 -0.001 0.000 0.286 398 S C 1.475 175.819 174.600 -0.426 0.000 1.314 398 S CA -0.424 57.636 58.200 -0.233 0.000 1.062 398 S CB 0.245 63.282 63.200 -0.271 0.000 0.865 398 S HN 0.507 nan 8.310 nan 0.000 0.498 399 I N 3.328 123.534 120.570 -0.607 0.000 3.111 399 I HA 0.321 4.490 4.170 -0.001 0.000 0.272 399 I C 1.225 177.075 176.117 -0.447 0.000 1.268 399 I CA -0.114 60.640 61.300 -0.911 0.000 1.467 399 I CB -0.825 36.815 38.000 -0.601 0.000 1.087 399 I HN 0.540 nan 8.210 nan 0.000 0.467 400 G N 1.685 110.326 108.800 -0.265 0.000 2.570 400 G HA2 0.383 4.342 3.960 -0.001 0.000 0.276 400 G HA3 0.383 4.342 3.960 -0.001 0.000 0.276 400 G C -0.133 174.751 174.900 -0.028 0.000 1.346 400 G CA -0.776 44.247 45.100 -0.129 0.000 1.034 400 G HN 0.288 nan 8.290 nan 0.000 0.512 401 R N -0.348 120.144 120.500 -0.014 0.000 2.643 401 R HA 0.398 4.738 4.340 -0.001 0.000 0.272 401 R C 0.222 176.512 176.300 -0.017 0.000 0.995 401 R CA -0.794 55.332 56.100 0.044 0.000 1.032 401 R CB 1.409 31.737 30.300 0.047 0.000 1.126 401 R HN 0.448 nan 8.270 nan 0.000 0.505 402 R N 0.204 120.726 120.500 0.037 0.000 2.840 402 R HA 0.078 4.418 4.340 -0.001 0.000 0.282 402 R C 1.386 177.683 176.300 -0.006 0.000 1.133 402 R CA 0.367 56.468 56.100 0.002 0.000 1.208 402 R CB 0.173 30.523 30.300 0.083 0.000 1.160 402 R HN 0.783 nan 8.270 nan 0.000 0.576 403 A N 1.892 124.704 122.820 -0.012 0.000 1.829 403 A HA -0.224 4.095 4.320 -0.001 0.000 0.216 403 A C 1.217 178.804 177.584 0.004 0.000 1.207 403 A CA 1.973 54.004 52.037 -0.010 0.000 0.622 403 A CB -0.930 18.063 19.000 -0.010 0.000 0.846 403 A HN 0.855 nan 8.150 nan 0.000 0.447 404 N N 0.408 119.115 118.700 0.012 0.000 2.747 404 N HA 0.229 4.968 4.740 -0.001 0.000 0.252 404 N C 0.875 176.401 175.510 0.026 0.000 1.352 404 N CA 1.109 54.170 53.050 0.018 0.000 0.960 404 N CB -0.996 37.502 38.487 0.019 0.000 1.303 404 N HN 1.081 nan 8.380 nan 0.000 0.518 405 G N -0.860 107.955 108.800 0.026 0.000 2.228 405 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.270 405 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.270 405 G C 0.272 175.201 174.900 0.049 0.000 0.976 405 G CA 0.944 46.064 45.100 0.032 0.000 0.636 405 G HN 0.643 nan 8.290 nan 0.000 0.542 406 T N 1.356 115.944 114.554 0.058 0.000 2.898 406 T HA 0.462 4.812 4.350 -0.001 0.000 0.301 406 T C 1.046 175.812 174.700 0.110 0.000 1.049 406 T CA 0.327 62.472 62.100 0.075 0.000 1.095 406 T CB 1.182 70.095 68.868 0.076 0.000 0.976 406 T HN 1.171 nan 8.240 nan 0.000 0.539 407 T N 0.064 114.687 114.554 0.115 0.000 2.946 407 T HA 0.029 4.379 4.350 -0.001 0.000 0.311 407 T C -0.342 174.495 174.700 0.228 0.000 1.063 407 T CA -0.609 61.587 62.100 0.160 0.000 1.139 407 T CB -0.141 68.799 68.868 0.119 0.000 0.994 407 T HN 0.542 nan 8.240 nan 0.000 0.547 408 Y N 3.444 123.829 120.300 0.142 0.000 2.556 408 Y HA 0.513 5.062 4.550 -0.001 0.000 0.352 408 Y C 1.101 177.120 175.900 0.199 0.000 1.006 408 Y CA -1.483 56.716 58.100 0.165 0.000 1.277 408 Y CB -0.142 38.426 38.460 0.180 0.000 1.136 408 Y HN 0.896 nan 8.280 nan 0.000 0.523 409 A N 3.786 126.619 122.820 0.022 0.000 1.940 409 A HA -0.179 4.141 4.320 -0.001 0.000 0.219 409 A C 2.101 179.609 177.584 -0.126 0.000 1.176 409 A CA 2.338 54.352 52.037 -0.038 0.000 0.631 409 A CB -0.868 18.133 19.000 0.001 0.000 0.814 409 A HN 0.785 nan 8.150 nan 0.000 0.446 410 T N -1.481 112.847 114.554 -0.376 0.000 2.708 410 T HA -0.186 4.164 4.350 -0.001 0.000 0.266 410 T C 1.847 176.636 174.700 0.148 0.000 1.037 410 T CA 1.665 63.648 62.100 -0.195 0.000 1.146 410 T CB -0.450 68.215 68.868 -0.338 0.000 0.865 410 T HN 0.572 nan 8.240 nan 0.000 0.435 411 Y N 2.278 122.454 120.300 -0.206 0.000 2.200 411 Y HA -0.098 4.452 4.550 -0.001 0.000 0.290 411 Y C 2.348 178.361 175.900 0.188 0.000 1.137 411 Y CA 1.113 59.332 58.100 0.198 0.000 1.163 411 Y CB -0.407 38.207 38.460 0.257 0.000 0.988 411 Y HN 0.030 nan 8.280 nan 0.000 0.518 412 E N 0.529 120.695 120.200 -0.057 0.000 2.038 412 E HA -0.200 4.149 4.350 -0.001 0.000 0.195 412 E C 2.361 178.860 176.600 -0.168 0.000 1.000 412 E CA 1.543 57.839 56.400 -0.174 0.000 0.803 412 E CB -0.403 29.260 29.700 -0.062 0.000 0.750 412 E HN 0.512 nan 8.360 nan 0.000 0.448 413 R N -0.202 120.265 120.500 -0.055 0.000 2.120 413 R HA -0.058 4.281 4.340 -0.001 0.000 0.234 413 R C 2.430 178.594 176.300 -0.226 0.000 1.123 413 R CA 1.079 57.157 56.100 -0.037 0.000 0.975 413 R CB -0.544 29.831 30.300 0.126 0.000 0.866 413 R HN 0.217 nan 8.270 nan 0.000 0.446 414 G N 1.521 110.117 108.800 -0.341 0.000 2.446 414 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.217 414 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.217 414 G C 1.206 175.443 174.900 -1.105 0.000 1.168 414 G CA 0.756 45.123 45.100 -1.223 0.000 0.771 414 G HN 0.235 nan 8.290 nan 0.000 0.551 415 N N 0.535 118.898 118.700 -0.562 0.000 2.043 415 N HA -0.114 4.626 4.740 -0.001 0.000 0.193 415 N C 2.458 177.593 175.510 -0.624 0.000 1.037 415 N CA 1.862 54.643 53.050 -0.448 0.000 0.851 415 N CB -0.998 37.291 38.487 -0.330 0.000 1.027 415 N HN 0.272 nan 8.380 nan 0.000 0.422 416 T N 1.598 115.856 114.554 -0.494 0.000 2.665 416 T HA -0.169 4.181 4.350 -0.001 0.000 0.268 416 T C 1.658 176.006 174.700 -0.586 0.000 1.035 416 T CA 1.317 63.144 62.100 -0.455 0.000 1.151 416 T CB -0.230 68.484 68.868 -0.257 0.000 0.862 416 T HN 0.411 nan 8.240 nan 0.000 0.438 417 Q N -0.349 119.131 119.800 -0.534 0.000 2.403 417 Q HA 0.096 4.436 4.340 -0.001 0.000 0.203 417 Q C -0.562 175.201 176.000 -0.396 0.000 0.932 417 Q CA -0.078 55.486 55.803 -0.397 0.000 0.945 417 Q CB 0.042 28.603 28.738 -0.295 0.000 1.045 417 Q HN 0.722 nan 8.270 nan 0.000 0.511 418 H N -1.957 116.842 119.070 -0.452 0.000 2.765 418 H HA -0.131 4.425 4.556 -0.001 0.000 0.332 418 H C 0.370 175.378 175.328 -0.533 0.000 1.180 418 H CA 0.037 55.829 56.048 -0.428 0.000 1.142 418 H CB -1.639 27.985 29.762 -0.229 0.000 1.576 418 H HN 0.050 nan 8.280 nan 0.000 0.420 419 V N -0.532 118.844 119.914 -0.896 0.000 3.590 419 V HA -0.006 4.114 4.120 -0.001 0.000 0.265 419 V C 1.154 176.873 176.094 -0.626 0.000 1.239 419 V CA 0.558 62.320 62.300 -0.896 0.000 1.117 419 V CB -0.077 30.901 31.823 -1.407 0.000 0.818 419 V HN 0.478 nan 8.190 nan 0.000 0.451 420 W N -0.675 120.481 121.300 -0.240 0.000 2.141 420 W HA 0.479 5.139 4.660 -0.001 0.000 0.354 420 W C 0.086 176.552 176.519 -0.087 0.000 1.297 420 W CA -0.942 56.307 57.345 -0.159 0.000 1.380 420 W CB 0.523 29.927 29.460 -0.094 0.000 1.168 420 W HN -0.085 nan 8.180 nan 0.000 0.639 421 I N 2.952 123.684 120.570 0.269 0.000 2.371 421 I HA 0.063 4.233 4.170 -0.001 0.000 0.290 421 I C -0.063 176.137 176.117 0.138 0.000 1.028 421 I CA -0.510 60.883 61.300 0.156 0.000 1.345 421 I CB 0.188 38.283 38.000 0.157 0.000 1.407 421 I HN 0.349 nan 8.210 nan 0.000 0.501 422 N N 5.579 124.333 118.700 0.089 0.000 2.489 422 N HA 0.309 5.048 4.740 -0.001 0.000 0.284 422 N C -0.183 175.352 175.510 0.042 0.000 1.158 422 N CA -0.612 52.479 53.050 0.068 0.000 0.965 422 N CB 0.903 39.419 38.487 0.049 0.000 1.195 422 N HN 0.492 nan 8.380 nan 0.000 0.506 423 E N -0.471 119.747 120.200 0.029 0.000 2.585 423 E HA 0.025 4.374 4.350 -0.001 0.000 0.256 423 E C 0.900 177.505 176.600 0.007 0.000 1.383 423 E CA -0.095 56.312 56.400 0.011 0.000 1.029 423 E CB 0.391 30.093 29.700 0.003 0.000 1.044 423 E HN 0.640 nan 8.360 nan 0.000 0.595 424 S N 0.602 116.300 115.700 -0.002 0.000 2.419 424 S HA -0.194 4.276 4.470 -0.001 0.000 0.233 424 S C 1.294 175.894 174.600 0.000 0.000 1.016 424 S CA 1.479 59.677 58.200 -0.002 0.000 0.974 424 S CB -0.390 62.804 63.200 -0.010 0.000 0.786 424 S HN 0.650 nan 8.310 nan 0.000 0.492 425 D N 1.617 122.017 120.400 0.001 0.000 2.218 425 D HA -0.010 4.629 4.640 -0.001 0.000 0.204 425 D C 1.550 177.851 176.300 0.002 0.000 0.976 425 D CA 0.961 54.962 54.000 0.001 0.000 0.853 425 D CB -0.972 39.829 40.800 0.001 0.000 0.939 425 D HN 0.708 nan 8.370 nan 0.000 0.481 426 G N -0.050 108.754 108.800 0.006 0.000 2.132 426 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.228 426 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.228 426 G C 0.750 175.650 174.900 0.000 0.000 1.000 426 G CA 0.589 45.692 45.100 0.005 0.000 0.693 426 G HN 0.507 nan 8.290 nan 0.000 0.515 427 S N -1.558 114.147 115.700 0.008 0.000 3.472 427 S HA 0.219 4.689 4.470 -0.001 0.000 0.247 427 S C 0.761 175.381 174.600 0.034 0.000 1.084 427 S CA 0.734 58.938 58.200 0.007 0.000 0.795 427 S CB 0.265 63.464 63.200 -0.001 0.000 0.892 427 S HN 0.586 nan 8.310 nan 0.000 0.513 428 T N 5.845 120.419 114.554 0.033 0.000 2.799 428 T HA 0.290 4.639 4.350 -0.001 0.000 0.296 428 T C -2.672 172.061 174.700 0.056 0.000 0.947 428 T CA -0.833 61.293 62.100 0.043 0.000 1.141 428 T CB 0.512 69.394 68.868 0.025 0.000 0.891 428 T HN 0.174 nan 8.240 nan 0.000 0.533 429 P HA 0.206 nan 4.420 nan 0.000 0.271 429 P C 0.000 177.311 177.300 0.018 0.000 1.216 429 P CA -0.480 62.669 63.100 0.082 0.000 0.771 429 P CB 0.697 32.456 31.700 0.099 0.000 0.864 430 I N 3.448 124.038 120.570 0.032 0.000 2.638 430 I HA 0.159 4.329 4.170 -0.001 0.000 0.286 430 I C -0.013 176.096 176.117 -0.013 0.000 1.088 430 I CA -0.466 60.849 61.300 0.025 0.000 1.397 430 I CB 0.316 38.350 38.000 0.058 0.000 1.414 430 I HN 0.142 nan 8.210 nan 0.000 0.566 431 I N 7.359 127.912 120.570 -0.029 0.000 2.382 431 I HA 0.414 4.584 4.170 -0.001 0.000 0.286 431 I C 0.520 176.620 176.117 -0.029 0.000 1.002 431 I CA -0.206 61.039 61.300 -0.093 0.000 1.135 431 I CB 0.335 38.269 38.000 -0.110 0.000 1.288 431 I HN 0.646 nan 8.210 nan 0.000 0.448 432 G N 4.932 113.714 108.800 -0.029 0.000 2.828 432 G HA2 0.604 4.564 3.960 -0.001 0.000 0.244 432 G HA3 0.604 4.564 3.960 -0.001 0.000 0.244 432 G C -0.957 173.870 174.900 -0.122 0.000 1.365 432 G CA -0.313 44.819 45.100 0.052 0.000 1.041 432 G HN 0.644 nan 8.290 nan 0.000 0.560 433 E N -1.355 118.766 120.200 -0.131 0.000 2.291 433 E HA 0.509 4.859 4.350 -0.001 0.000 0.276 433 E C -1.097 175.176 176.600 -0.545 0.000 0.896 433 E CA -0.695 55.552 56.400 -0.255 0.000 0.774 433 E CB 2.012 31.640 29.700 -0.119 0.000 1.227 433 E HN 0.264 nan 8.360 nan 0.000 0.413 434 V N 3.141 122.631 119.914 -0.707 0.000 6.094 434 V HA 0.315 4.435 4.120 -0.001 0.000 0.284 434 V C 0.756 176.257 176.094 -0.988 0.000 1.600 434 V CA -0.701 60.823 62.300 -1.295 0.000 0.675 434 V CB -0.207 31.130 31.823 -0.811 0.000 1.453 434 V HN 0.896 nan 8.190 nan 0.000 0.402 435 W N 1.076 122.119 121.300 -0.428 0.000 2.355 435 W HA -0.005 4.655 4.660 -0.001 0.000 0.309 435 W C -0.756 175.716 176.519 -0.079 0.000 1.206 435 W CA 1.442 58.715 57.345 -0.119 0.000 1.284 435 W CB -1.219 28.203 29.460 -0.064 0.000 1.145 435 W HN 0.443 nan 8.180 nan 0.000 0.502 436 P HA 0.304 nan 4.420 nan 0.000 0.243 436 P C 0.554 177.811 177.300 -0.072 0.000 1.672 436 P CA 0.973 64.063 63.100 -0.016 0.000 1.000 436 P CB 0.055 31.700 31.700 -0.093 0.000 1.562 437 G N 0.865 109.626 108.800 -0.065 0.000 2.553 437 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.242 437 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.242 437 G C -0.625 174.174 174.900 -0.169 0.000 1.277 437 G CA -0.518 44.529 45.100 -0.088 0.000 0.910 437 G HN 0.313 nan 8.290 nan 0.000 0.576 438 L N 1.602 122.729 121.223 -0.161 0.000 2.514 438 L HA 0.485 4.825 4.340 -0.001 0.000 0.280 438 L C 1.264 177.953 176.870 -0.301 0.000 1.223 438 L CA 1.001 55.717 54.840 -0.208 0.000 0.864 438 L CB 0.319 42.276 42.059 -0.170 0.000 1.118 438 L HN 1.157 nan 8.230 nan 0.000 0.494 439 T N -0.555 113.768 114.554 -0.384 0.000 2.853 439 T HA 0.710 5.060 4.350 -0.001 0.000 0.311 439 T C -0.504 173.789 174.700 -0.679 0.000 1.307 439 T CA -0.925 60.857 62.100 -0.530 0.000 1.019 439 T CB 1.554 70.083 68.868 -0.564 0.000 1.264 439 T HN 0.414 nan 8.240 nan 0.000 0.497 440 V N -0.817 118.615 119.914 -0.805 0.000 2.994 440 V HA 0.798 4.917 4.120 -0.001 0.000 0.318 440 V C -1.409 174.198 176.094 -0.813 0.000 1.085 440 V CA -1.352 60.429 62.300 -0.865 0.000 0.998 440 V CB 0.975 32.042 31.823 -1.260 0.000 1.063 440 V HN 0.948 nan 8.190 nan 0.000 0.447 441 Y N 1.168 121.347 120.300 -0.201 0.000 2.341 441 Y HA 0.601 5.150 4.550 -0.001 0.000 0.338 441 Y C -2.509 173.519 175.900 0.213 0.000 0.965 441 Y CA -2.527 55.588 58.100 0.026 0.000 1.108 441 Y CB 2.216 40.672 38.460 -0.008 0.000 1.180 441 Y HN 0.465 nan 8.280 nan 0.000 0.458 442 P HA -0.001 nan 4.420 nan 0.000 0.271 442 P C -0.627 176.504 177.300 -0.281 0.000 1.216 442 P CA -0.138 62.916 63.100 -0.077 0.000 0.771 442 P CB 0.701 32.094 31.700 -0.512 0.000 0.864 443 D N 2.686 122.912 120.400 -0.290 0.000 2.494 443 D HA 0.123 4.763 4.640 -0.001 0.000 0.217 443 D C -0.006 176.041 176.300 -0.421 0.000 1.153 443 D CA -0.322 53.525 54.000 -0.254 0.000 0.954 443 D CB -0.687 40.025 40.800 -0.147 0.000 1.034 443 D HN 0.139 nan 8.370 nan 0.000 0.518 444 F N 1.070 120.769 119.950 -0.418 0.000 2.773 444 F HA -0.007 4.520 4.527 -0.001 0.000 0.299 444 F C 2.447 177.901 175.800 -0.576 0.000 1.204 444 F CA 0.769 58.479 58.000 -0.483 0.000 1.454 444 F CB -0.332 38.284 39.000 -0.639 0.000 1.117 444 F HN 0.377 nan 8.300 nan 0.000 0.590 445 T N -4.001 110.209 114.554 -0.574 0.000 3.081 445 T HA 0.023 4.372 4.350 -0.001 0.000 0.250 445 T C 0.802 175.230 174.700 -0.453 0.000 1.100 445 T CA -0.182 61.344 62.100 -0.957 0.000 1.038 445 T CB -0.229 67.603 68.868 -1.727 0.000 0.962 445 T HN 0.028 nan 8.240 nan 0.000 0.516 446 N N 2.552 121.083 118.700 -0.283 0.000 2.422 446 N HA 0.241 4.980 4.740 -0.001 0.000 0.264 446 N C -2.110 173.352 175.510 -0.080 0.000 1.063 446 N CA -1.881 51.080 53.050 -0.148 0.000 0.959 446 N CB 1.991 40.382 38.487 -0.159 0.000 1.087 446 N HN 0.001 nan 8.380 nan 0.000 0.483 447 P HA -0.039 nan 4.420 nan 0.000 0.219 447 P C 0.518 177.827 177.300 0.015 0.000 1.146 447 P CA 1.254 64.360 63.100 0.011 0.000 0.808 447 P CB 0.370 32.087 31.700 0.028 0.000 0.779 448 N N -1.796 116.897 118.700 -0.011 0.000 2.244 448 N HA -0.128 4.611 4.740 -0.001 0.000 0.183 448 N C 1.730 177.251 175.510 0.018 0.000 1.016 448 N CA 0.607 53.651 53.050 -0.010 0.000 0.866 448 N CB -0.481 37.974 38.487 -0.054 0.000 0.980 448 N HN 0.154 nan 8.380 nan 0.000 0.430 449 C N 0.917 120.206 119.300 -0.019 0.000 2.466 449 C HA 0.043 4.503 4.460 -0.001 0.000 0.278 449 C C 2.563 177.697 174.990 0.239 0.000 1.288 449 C CA 0.145 59.180 59.018 0.028 0.000 1.722 449 C CB -1.125 26.502 27.740 -0.188 0.000 2.017 449 C HN 0.520 nan 8.230 nan 0.000 0.488 450 I N 0.236 120.905 120.570 0.166 0.000 2.264 450 I HA -0.136 4.034 4.170 -0.001 0.000 0.248 450 I C 1.888 178.149 176.117 0.239 0.000 1.111 450 I CA 2.304 63.745 61.300 0.234 0.000 1.382 450 I CB -0.902 37.176 38.000 0.129 0.000 1.060 450 I HN 0.181 nan 8.210 nan 0.000 0.418 451 D N 0.822 121.323 120.400 0.167 0.000 2.084 451 D HA -0.212 4.427 4.640 -0.001 0.000 0.196 451 D C 1.661 178.049 176.300 0.145 0.000 0.985 451 D CA 1.659 55.734 54.000 0.124 0.000 0.826 451 D CB -0.616 40.234 40.800 0.082 0.000 0.978 451 D HN 0.696 nan 8.370 nan 0.000 0.456 452 W N 1.185 122.485 121.300 -0.000 0.000 2.321 452 W HA -0.211 4.449 4.660 -0.001 0.000 0.306 452 W C 2.310 178.864 176.519 0.058 0.000 1.217 452 W CA 1.600 58.928 57.345 -0.029 0.000 1.257 452 W CB -0.611 28.784 29.460 -0.107 0.000 1.145 452 W HN 0.124 nan 8.180 nan 0.000 0.509 453 W N 1.031 122.226 121.300 -0.176 0.000 2.378 453 W HA -0.215 4.444 4.660 -0.001 0.000 0.313 453 W C 2.273 178.645 176.519 -0.244 0.000 1.197 453 W CA 2.510 59.657 57.345 -0.330 0.000 1.304 453 W CB -0.923 28.640 29.460 0.171 0.000 1.148 453 W HN 0.017 nan 8.180 nan 0.000 0.494 454 A N 0.913 123.744 122.820 0.019 0.000 1.892 454 A HA -0.361 3.958 4.320 -0.001 0.000 0.218 454 A C 1.688 179.159 177.584 -0.189 0.000 1.188 454 A CA 2.452 54.448 52.037 -0.069 0.000 0.631 454 A CB -1.493 17.525 19.000 0.030 0.000 0.822 454 A HN 0.530 nan 8.150 nan 0.000 0.447 455 N N -0.422 118.155 118.700 -0.204 0.000 2.084 455 N HA -0.166 4.573 4.740 -0.001 0.000 0.190 455 N C 1.651 176.932 175.510 -0.380 0.000 1.030 455 N CA 1.755 54.664 53.050 -0.235 0.000 0.849 455 N CB -0.194 38.183 38.487 -0.183 0.000 1.012 455 N HN 0.421 nan 8.380 nan 0.000 0.423 456 E N -0.196 119.596 120.200 -0.681 0.000 2.110 456 E HA -0.121 4.229 4.350 -0.001 0.000 0.193 456 E C 2.106 178.209 176.600 -0.828 0.000 0.988 456 E CA 0.779 56.558 56.400 -1.035 0.000 0.804 456 E CB -0.639 27.944 29.700 -1.862 0.000 0.745 456 E HN 0.496 nan 8.360 nan 0.000 0.458 457 C N 0.200 119.176 119.300 -0.539 0.000 2.446 457 C HA 0.033 4.493 4.460 -0.001 0.000 0.279 457 C C 3.012 178.081 174.990 0.132 0.000 1.366 457 C CA 0.730 59.731 59.018 -0.027 0.000 1.763 457 C CB -0.707 27.000 27.740 -0.055 0.000 1.929 457 C HN 0.398 nan 8.230 nan 0.000 0.509 458 S N 0.661 116.323 115.700 -0.064 0.000 2.362 458 S HA 0.003 4.472 4.470 -0.001 0.000 0.221 458 S C 1.687 176.277 174.600 -0.016 0.000 1.032 458 S CA 1.080 59.239 58.200 -0.067 0.000 0.973 458 S CB -0.220 62.913 63.200 -0.110 0.000 0.849 458 S HN 0.564 nan 8.310 nan 0.000 0.465 459 I N 0.482 121.028 120.570 -0.041 0.000 2.226 459 I HA -0.139 4.031 4.170 -0.001 0.000 0.245 459 I C 2.135 178.325 176.117 0.122 0.000 1.100 459 I CA 1.373 62.674 61.300 0.001 0.000 1.374 459 I CB -0.408 37.559 38.000 -0.055 0.000 1.057 459 I HN 0.320 nan 8.210 nan 0.000 0.413 460 F N 0.873 120.850 119.950 0.044 0.000 2.234 460 F HA -0.230 4.297 4.527 -0.001 0.000 0.299 460 F C 2.654 178.598 175.800 0.239 0.000 1.087 460 F CA 1.645 59.775 58.000 0.217 0.000 1.340 460 F CB -0.637 38.612 39.000 0.414 0.000 1.031 460 F HN 0.145 nan 8.300 nan 0.000 0.500 461 H N 0.102 119.198 119.070 0.043 0.000 2.456 461 H HA -0.132 4.424 4.556 -0.001 0.000 0.296 461 H C 1.825 176.983 175.328 -0.284 0.000 1.079 461 H CA 1.747 57.599 56.048 -0.325 0.000 1.322 461 H CB 0.071 29.461 29.762 -0.619 0.000 1.388 461 H HN 0.430 nan 8.280 nan 0.000 0.538 462 Q N -0.014 119.667 119.800 -0.199 0.000 2.224 462 Q HA -0.114 4.225 4.340 -0.001 0.000 0.203 462 Q C 2.080 177.960 176.000 -0.199 0.000 0.970 462 Q CA 1.075 56.763 55.803 -0.193 0.000 0.865 462 Q CB 0.212 28.901 28.738 -0.082 0.000 0.922 462 Q HN 0.593 nan 8.270 nan 0.000 0.445 463 E N -0.121 119.960 120.200 -0.198 0.000 2.102 463 E HA 0.003 4.353 4.350 -0.001 0.000 0.190 463 E C -0.401 176.033 176.600 -0.277 0.000 0.971 463 E CA 0.426 56.737 56.400 -0.148 0.000 0.821 463 E CB 0.820 30.515 29.700 -0.008 0.000 0.777 463 E HN -0.030 nan 8.360 nan 0.000 0.460 464 V N 2.047 121.657 119.914 -0.507 0.000 2.443 464 V HA 0.188 4.308 4.120 -0.001 0.000 0.293 464 V C -0.703 175.149 176.094 -0.404 0.000 1.021 464 V CA -0.533 61.493 62.300 -0.456 0.000 0.848 464 V CB 1.527 33.023 31.823 -0.544 0.000 0.998 464 V HN 0.111 nan 8.190 nan 0.000 0.424 465 Q N 4.074 123.672 119.800 -0.337 0.000 3.181 465 Q HA 0.222 4.561 4.340 -0.001 0.000 0.293 465 Q C -0.323 175.759 176.000 0.137 0.000 1.406 465 Q CA -0.361 55.175 55.803 -0.444 0.000 1.026 465 Q CB -0.101 28.422 28.738 -0.358 0.000 1.630 465 Q HN 0.815 nan 8.270 nan 0.000 0.553 466 Y N -1.755 118.769 120.300 0.372 0.000 2.652 466 Y HA -0.016 4.534 4.550 -0.001 0.000 0.344 466 Y C 0.488 176.742 175.900 0.589 0.000 1.254 466 Y CA -0.082 58.306 58.100 0.480 0.000 1.480 466 Y CB 0.644 39.302 38.460 0.331 0.000 1.345 466 Y HN 0.176 nan 8.280 nan 0.000 0.617 467 D N 0.992 121.723 120.400 0.551 0.000 2.423 467 D HA 0.238 4.877 4.640 -0.001 0.000 0.212 467 D C 0.497 176.951 176.300 0.257 0.000 1.060 467 D CA 0.885 55.045 54.000 0.267 0.000 0.872 467 D CB 0.906 41.649 40.800 -0.094 0.000 1.012 467 D HN 0.829 nan 8.370 nan 0.000 0.503 468 G N 0.265 109.365 108.800 0.501 0.000 2.660 468 G HA2 0.577 4.537 3.960 -0.001 0.000 0.290 468 G HA3 0.577 4.537 3.960 -0.001 0.000 0.290 468 G C -1.711 173.414 174.900 0.375 0.000 1.432 468 G CA -0.623 44.782 45.100 0.508 0.000 0.807 468 G HN -0.030 nan 8.290 nan 0.000 0.485 469 L N -0.242 121.131 121.223 0.250 0.000 2.342 469 L HA 0.681 5.020 4.340 -0.001 0.000 0.271 469 L C -1.213 175.723 176.870 0.109 0.000 1.008 469 L CA -0.880 54.024 54.840 0.106 0.000 0.818 469 L CB 2.683 44.773 42.059 0.051 0.000 1.296 469 L HN 0.615 nan 8.230 nan 0.000 0.427 470 W N 5.572 126.805 121.300 -0.112 0.000 2.391 470 W HA 0.541 5.201 4.660 -0.001 0.000 0.312 470 W C -0.911 175.548 176.519 -0.100 0.000 1.003 470 W CA -1.830 55.414 57.345 -0.168 0.000 1.375 470 W CB 0.733 30.080 29.460 -0.187 0.000 1.253 470 W HN 0.330 nan 8.180 nan 0.000 0.416 471 I N 3.590 124.236 120.570 0.127 0.000 2.337 471 I HA 0.398 4.567 4.170 -0.001 0.000 0.291 471 I C -0.060 176.073 176.117 0.026 0.000 1.046 471 I CA 0.001 61.312 61.300 0.018 0.000 1.324 471 I CB 0.870 38.890 38.000 0.033 0.000 1.409 471 I HN 0.199 nan 8.210 nan 0.000 0.494 472 D N 5.628 125.946 120.400 -0.137 0.000 2.506 472 D HA 0.475 5.115 4.640 -0.001 0.000 0.254 472 D C 0.654 176.980 176.300 0.043 0.000 1.089 472 D CA -0.310 53.660 54.000 -0.050 0.000 1.050 472 D CB 1.183 41.782 40.800 -0.335 0.000 1.221 472 D HN 0.637 nan 8.370 nan 0.000 0.589 473 M N 0.179 119.836 119.600 0.096 0.000 2.703 473 M HA -0.251 4.228 4.480 -0.001 0.000 0.186 473 M C 0.544 176.893 176.300 0.083 0.000 0.582 473 M CA 0.324 55.686 55.300 0.103 0.000 0.578 473 M CB -2.566 30.093 32.600 0.099 0.000 2.115 473 M HN 0.424 nan 8.290 nan 0.000 0.611 474 N N 1.444 120.205 118.700 0.102 0.000 2.205 474 N HA -0.139 4.600 4.740 -0.001 0.000 0.186 474 N C 1.163 176.728 175.510 0.091 0.000 1.015 474 N CA 1.850 54.979 53.050 0.132 0.000 0.862 474 N CB -0.012 38.545 38.487 0.117 0.000 0.986 474 N HN 0.585 nan 8.380 nan 0.000 0.429 475 E N 0.432 120.646 120.200 0.024 0.000 2.396 475 E HA 0.026 4.376 4.350 -0.001 0.000 0.200 475 E C 0.896 177.323 176.600 -0.289 0.000 1.023 475 E CA 0.706 57.054 56.400 -0.087 0.000 0.857 475 E CB -0.523 29.173 29.700 -0.008 0.000 0.775 475 E HN 0.299 nan 8.360 nan 0.000 0.525 476 V N 0.280 119.989 119.914 -0.343 0.000 5.198 476 V HA -0.210 3.910 4.120 -0.001 0.000 0.348 476 V C 0.360 176.282 176.094 -0.287 0.000 0.661 476 V CA 0.471 62.426 62.300 -0.575 0.000 1.358 476 V CB -2.234 28.986 31.823 -1.004 0.000 1.628 476 V HN 0.189 nan 8.190 nan 0.000 0.466 477 S N 2.843 118.458 115.700 -0.143 0.000 2.562 477 S HA 0.872 5.342 4.470 -0.001 0.000 0.275 477 S C 0.086 174.652 174.600 -0.056 0.000 1.281 477 S CA 0.085 58.258 58.200 -0.045 0.000 1.045 477 S CB 1.898 65.122 63.200 0.040 0.000 0.962 477 S HN 2.487 nan 8.310 nan 0.000 0.503 478 S N 0.866 116.564 115.700 -0.003 0.000 2.536 478 S HA 0.586 5.055 4.470 -0.001 0.000 0.287 478 S C -0.002 174.689 174.600 0.151 0.000 1.101 478 S CA -0.765 57.447 58.200 0.021 0.000 0.950 478 S CB 0.366 63.596 63.200 0.052 0.000 1.056 478 S HN 0.511 nan 8.310 nan 0.000 0.481 479 F N 2.843 122.735 119.950 -0.098 0.000 2.325 479 F HA 0.218 4.745 4.527 -0.001 0.000 0.299 479 F C 1.119 176.894 175.800 -0.042 0.000 1.090 479 F CA -0.047 57.892 58.000 -0.103 0.000 1.392 479 F CB -0.663 38.246 39.000 -0.152 0.000 1.053 479 F HN 0.576 nan 8.300 nan 0.000 0.521 480 I N -1.507 119.161 120.570 0.163 0.000 2.577 480 I HA 0.369 4.538 4.170 -0.001 0.000 0.305 480 I C -0.094 176.089 176.117 0.111 0.000 0.986 480 I CA -1.064 60.303 61.300 0.111 0.000 1.189 480 I CB 0.996 39.043 38.000 0.079 0.000 1.355 480 I HN -0.284 nan 8.210 nan 0.000 0.476 481 Q N 4.259 124.137 119.800 0.129 0.000 2.307 481 Q HA 0.337 4.677 4.340 -0.001 0.000 0.261 481 Q C 0.768 176.916 176.000 0.246 0.000 1.051 481 Q CA 0.830 56.759 55.803 0.210 0.000 0.911 481 Q CB 0.873 29.746 28.738 0.224 0.000 1.227 481 Q HN 1.133 nan 8.270 nan 0.000 0.418 482 G N 3.014 111.945 108.800 0.219 0.000 4.933 482 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.285 482 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.285 482 G C 0.078 174.963 174.900 -0.025 0.000 1.596 482 G CA 0.258 45.368 45.100 0.017 0.000 1.081 482 G HN 1.085 nan 8.290 nan 0.000 0.710 483 S N -2.319 113.362 115.700 -0.032 0.000 2.656 483 S HA 0.646 5.116 4.470 -0.001 0.000 0.273 483 S C 0.723 175.318 174.600 -0.008 0.000 1.168 483 S CA 1.055 59.246 58.200 -0.015 0.000 0.817 483 S CB 1.097 64.274 63.200 -0.038 0.000 1.146 483 S HN 1.236 nan 8.310 nan 0.000 0.475 484 T N 0.824 115.371 114.554 -0.012 0.000 2.778 484 T HA -0.084 4.266 4.350 -0.001 0.000 0.269 484 T C 1.030 175.722 174.700 -0.012 0.000 1.050 484 T CA 2.041 64.132 62.100 -0.016 0.000 1.137 484 T CB -0.671 68.177 68.868 -0.033 0.000 0.860 484 T HN 0.694 nan 8.240 nan 0.000 0.468 485 K N 0.084 120.473 120.400 -0.019 0.000 2.726 485 K HA 0.530 4.850 4.320 -0.001 0.000 0.209 485 K C 0.948 177.532 176.600 -0.026 0.000 1.082 485 K CA -0.150 56.127 56.287 -0.017 0.000 1.081 485 K CB 0.542 33.032 32.500 -0.017 0.000 0.830 485 K HN 0.270 nan 8.250 nan 0.000 0.470 486 G N 0.922 109.702 108.800 -0.034 0.000 2.598 486 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.244 486 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.244 486 G C -0.651 174.154 174.900 -0.159 0.000 1.302 486 G CA -0.291 44.770 45.100 -0.064 0.000 0.903 486 G HN 0.388 nan 8.290 nan 0.000 0.575 487 C N 0.843 120.011 119.300 -0.220 0.000 2.634 487 C HA 0.628 5.088 4.460 -0.001 0.000 0.313 487 C C 0.342 175.265 174.990 -0.112 0.000 1.198 487 C CA -1.088 57.749 59.018 -0.302 0.000 1.605 487 C CB 1.254 28.544 27.740 -0.749 0.000 2.196 487 C HN 0.742 nan 8.230 nan 0.000 0.486 488 N N 0.966 119.620 118.700 -0.078 0.000 2.492 488 N HA 0.145 4.885 4.740 -0.001 0.000 0.260 488 N C -0.569 174.991 175.510 0.084 0.000 1.215 488 N CA 0.023 53.071 53.050 -0.002 0.000 0.923 488 N CB 0.884 39.365 38.487 -0.011 0.000 1.092 488 N HN 0.428 nan 8.380 nan 0.000 0.448 489 V N 3.043 123.025 119.914 0.112 0.000 2.322 489 V HA 0.144 4.263 4.120 -0.001 0.000 0.258 489 V C 0.004 176.189 176.094 0.150 0.000 1.074 489 V CA -0.438 61.975 62.300 0.188 0.000 0.909 489 V CB -0.818 31.024 31.823 0.032 0.000 1.090 489 V HN 0.788 nan 8.190 nan 0.000 0.486 490 N N 2.602 121.436 118.700 0.222 0.000 2.853 490 N HA 0.363 5.103 4.740 -0.001 0.000 0.258 490 N C 0.611 176.201 175.510 0.132 0.000 1.444 490 N CA -0.897 52.225 53.050 0.120 0.000 0.837 490 N CB 0.959 39.473 38.487 0.046 0.000 1.489 490 N HN 0.235 nan 8.380 nan 0.000 0.529 491 K N -0.348 120.083 120.400 0.052 0.000 2.218 491 K HA -0.073 4.247 4.320 -0.001 0.000 0.205 491 K C 0.852 177.415 176.600 -0.062 0.000 1.046 491 K CA 1.413 57.711 56.287 0.018 0.000 0.933 491 K CB -0.440 32.050 32.500 -0.017 0.000 0.728 491 K HN 0.510 nan 8.250 nan 0.000 0.454 492 L N 0.565 121.716 121.223 -0.121 0.000 2.162 492 L HA -0.020 4.320 4.340 -0.001 0.000 0.205 492 L C 1.710 178.589 176.870 0.015 0.000 1.086 492 L CA 1.179 55.885 54.840 -0.223 0.000 0.778 492 L CB -0.327 41.601 42.059 -0.218 0.000 0.928 492 L HN 0.311 nan 8.230 nan 0.000 0.446 493 N N -1.480 117.210 118.700 -0.017 0.000 2.368 493 N HA -0.049 4.690 4.740 -0.001 0.000 0.176 493 N C -0.377 174.885 175.510 -0.413 0.000 1.021 493 N CA 0.483 53.437 53.050 -0.160 0.000 0.888 493 N CB 0.342 38.677 38.487 -0.253 0.000 0.995 493 N HN 0.170 nan 8.380 nan 0.000 0.437 494 Y N 0.837 121.200 120.300 0.105 0.000 2.748 494 Y HA 0.367 4.917 4.550 -0.001 0.000 0.359 494 Y C -2.348 173.582 175.900 0.051 0.000 1.030 494 Y CA -2.343 55.800 58.100 0.073 0.000 1.169 494 Y CB 0.669 39.170 38.460 0.068 0.000 1.127 494 Y HN -0.029 nan 8.280 nan 0.000 0.644 495 P HA 0.151 nan 4.420 nan 0.000 0.274 495 P C -2.175 175.184 177.300 0.098 0.000 1.237 495 P CA -1.480 61.691 63.100 0.117 0.000 0.793 495 P CB 1.367 33.161 31.700 0.157 0.000 0.977 496 P HA -0.001 nan 4.420 nan 0.000 0.218 496 P C -0.001 177.350 177.300 0.086 0.000 1.149 496 P CA 1.220 64.418 63.100 0.163 0.000 0.817 496 P CB 0.007 31.849 31.700 0.236 0.000 0.785 497 F N 0.065 119.845 119.950 -0.284 0.000 2.507 497 F HA 0.470 4.997 4.527 -0.001 0.000 0.328 497 F C -0.986 174.691 175.800 -0.205 0.000 1.136 497 F CA -0.686 57.023 58.000 -0.485 0.000 0.930 497 F CB 1.243 39.560 39.000 -1.139 0.000 1.166 497 F HN -0.408 nan 8.300 nan 0.000 0.436 498 T N 7.953 121.976 114.554 -0.885 0.000 2.771 498 T HA 0.447 4.797 4.350 -0.001 0.000 0.281 498 T C -2.547 171.442 174.700 -1.185 0.000 0.982 498 T CA -1.266 60.348 62.100 -0.811 0.000 0.978 498 T CB 1.321 69.952 68.868 -0.396 0.000 0.930 498 T HN 0.392 nan 8.240 nan 0.000 0.447 499 P HA 0.215 nan 4.420 nan 0.000 0.277 499 P C 0.071 177.212 177.300 -0.266 0.000 1.276 499 P CA -0.395 62.392 63.100 -0.521 0.000 0.788 499 P CB 0.688 32.280 31.700 -0.180 0.000 1.114 500 D N -0.366 119.975 120.400 -0.098 0.000 2.490 500 D HA 0.036 4.676 4.640 -0.001 0.000 0.255 500 D C 0.338 176.608 176.300 -0.050 0.000 1.248 500 D CA -0.074 53.889 54.000 -0.061 0.000 0.887 500 D CB -1.510 39.282 40.800 -0.013 0.000 0.978 500 D HN 0.267 nan 8.370 nan 0.000 0.491 501 I N -2.120 118.405 120.570 -0.076 0.000 2.692 501 I HA 0.107 4.277 4.170 -0.001 0.000 0.284 501 I C 0.443 176.540 176.117 -0.034 0.000 1.159 501 I CA -1.077 60.206 61.300 -0.028 0.000 1.423 501 I CB 0.543 38.528 38.000 -0.026 0.000 1.380 501 I HN -0.193 nan 8.210 nan 0.000 0.580 502 L N 6.776 127.996 121.223 -0.005 0.000 2.593 502 L HA -0.064 4.276 4.340 -0.001 0.000 0.287 502 L C 0.575 177.423 176.870 -0.036 0.000 1.243 502 L CA 1.310 56.141 54.840 -0.016 0.000 0.890 502 L CB -0.528 41.530 42.059 -0.003 0.000 1.134 502 L HN 0.902 nan 8.230 nan 0.000 0.502 503 D N 1.184 121.559 120.400 -0.042 0.000 2.978 503 D HA -0.313 4.327 4.640 -0.001 0.000 0.205 503 D C 0.791 177.041 176.300 -0.084 0.000 1.093 503 D CA 1.421 55.385 54.000 -0.060 0.000 1.006 503 D CB -1.491 39.266 40.800 -0.072 0.000 1.116 503 D HN 1.075 nan 8.370 nan 0.000 0.419 504 K N -0.515 119.831 120.400 -0.090 0.000 3.078 504 K HA -0.174 4.145 4.320 -0.001 0.000 0.261 504 K C 0.127 176.641 176.600 -0.143 0.000 0.947 504 K CA 1.732 57.949 56.287 -0.117 0.000 0.702 504 K CB -1.973 30.471 32.500 -0.094 0.000 1.318 504 K HN 0.605 nan 8.250 nan 0.000 0.473 505 L N 0.786 121.899 121.223 -0.183 0.000 2.568 505 L HA 0.340 4.679 4.340 -0.001 0.000 0.262 505 L C 1.259 177.935 176.870 -0.323 0.000 0.980 505 L CA -0.747 53.919 54.840 -0.290 0.000 0.882 505 L CB 1.084 42.936 42.059 -0.345 0.000 1.198 505 L HN 0.365 nan 8.230 nan 0.000 0.425 506 M N 3.753 123.180 119.600 -0.289 0.000 2.113 506 M HA -0.263 4.216 4.480 -0.001 0.000 0.255 506 M C 1.572 177.837 176.300 -0.058 0.000 1.073 506 M CA 2.342 57.535 55.300 -0.177 0.000 1.091 506 M CB -1.226 31.276 32.600 -0.164 0.000 1.309 506 M HN 0.779 nan 8.290 nan 0.000 0.407 507 Y N -0.719 119.504 120.300 -0.127 0.000 2.529 507 Y HA 0.375 4.924 4.550 -0.001 0.000 0.290 507 Y C 1.133 176.994 175.900 -0.065 0.000 1.177 507 Y CA -0.291 57.743 58.100 -0.109 0.000 1.305 507 Y CB -0.864 37.521 38.460 -0.126 0.000 1.047 507 Y HN 0.036 nan 8.280 nan 0.000 0.522 508 S N 1.980 117.552 115.700 -0.212 0.000 2.525 508 S HA 0.312 4.781 4.470 -0.001 0.000 0.285 508 S C 1.090 175.681 174.600 -0.015 0.000 1.283 508 S CA 0.653 58.775 58.200 -0.129 0.000 1.072 508 S CB -0.256 62.856 63.200 -0.147 0.000 0.867 508 S HN 0.904 nan 8.310 nan 0.000 0.492 509 K N 0.952 121.366 120.400 0.024 0.000 3.016 509 K HA -0.169 4.151 4.320 -0.001 0.000 0.262 509 K C 0.446 177.068 176.600 0.037 0.000 1.043 509 K CA 1.984 58.300 56.287 0.050 0.000 0.761 509 K CB -2.754 29.775 32.500 0.048 0.000 1.230 509 K HN 1.082 nan 8.250 nan 0.000 0.485 510 T N -2.378 112.192 114.554 0.026 0.000 2.606 510 T HA 0.792 5.142 4.350 -0.001 0.000 0.289 510 T C -0.484 174.190 174.700 -0.042 0.000 1.113 510 T CA 0.124 62.207 62.100 -0.028 0.000 1.106 510 T CB 0.734 69.603 68.868 0.001 0.000 1.611 510 T HN 1.339 nan 8.240 nan 0.000 0.471 511 I N -0.358 120.145 120.570 -0.111 0.000 2.947 511 I HA 0.719 4.888 4.170 -0.001 0.000 0.314 511 I C 0.164 176.250 176.117 -0.053 0.000 1.028 511 I CA -1.073 60.163 61.300 -0.105 0.000 1.077 511 I CB 1.074 38.942 38.000 -0.221 0.000 1.274 511 I HN 0.579 nan 8.210 nan 0.000 0.485 512 C N 3.633 122.887 119.300 -0.077 0.000 2.634 512 C HA 0.041 4.501 4.460 -0.001 0.000 0.417 512 C C 1.979 176.944 174.990 -0.042 0.000 1.334 512 C CA -0.305 58.647 59.018 -0.111 0.000 1.829 512 C CB 0.038 27.692 27.740 -0.144 0.000 2.665 512 C HN 0.788 nan 8.230 nan 0.000 0.614 513 M N 2.417 122.008 119.600 -0.015 0.000 2.476 513 M HA -0.029 4.451 4.480 -0.001 0.000 0.262 513 M C 1.485 177.823 176.300 0.063 0.000 1.079 513 M CA 1.283 56.623 55.300 0.067 0.000 1.104 513 M CB -0.933 31.759 32.600 0.152 0.000 1.409 513 M HN 0.815 nan 8.290 nan 0.000 0.467 514 D N -0.373 120.029 120.400 0.004 0.000 2.349 514 D HA 0.184 4.823 4.640 -0.001 0.000 0.214 514 D C 0.472 176.773 176.300 0.002 0.000 1.063 514 D CA -0.059 53.939 54.000 -0.002 0.000 0.847 514 D CB -0.457 40.329 40.800 -0.024 0.000 0.933 514 D HN 0.065 nan 8.370 nan 0.000 0.513 515 A N 0.484 123.307 122.820 0.004 0.000 2.511 515 A HA 0.455 4.775 4.320 -0.001 0.000 0.242 515 A C 0.577 178.177 177.584 0.026 0.000 1.069 515 A CA 0.046 52.089 52.037 0.011 0.000 0.763 515 A CB -0.040 18.963 19.000 0.004 0.000 1.001 515 A HN 0.482 nan 8.150 nan 0.000 0.498 516 V N 2.401 122.332 119.914 0.027 0.000 2.439 516 V HA 0.623 4.743 4.120 -0.001 0.000 0.282 516 V C 0.113 176.228 176.094 0.035 0.000 1.039 516 V CA -0.447 61.872 62.300 0.032 0.000 0.913 516 V CB 0.799 32.638 31.823 0.026 0.000 0.983 516 V HN 0.987 nan 8.190 nan 0.000 0.460 517 Q N 2.113 121.936 119.800 0.039 0.000 2.496 517 Q HA 0.295 4.635 4.340 -0.001 0.000 0.286 517 Q C 0.877 176.896 176.000 0.032 0.000 1.103 517 Q CA -0.644 55.170 55.803 0.018 0.000 0.813 517 Q CB 2.198 30.941 28.738 0.008 0.000 1.444 517 Q HN 0.926 nan 8.270 nan 0.000 0.443 518 N N 0.053 118.744 118.700 -0.015 0.000 2.120 518 N HA -0.144 4.596 4.740 -0.001 0.000 0.188 518 N C 0.726 176.369 175.510 0.220 0.000 1.024 518 N CA 1.314 54.391 53.050 0.045 0.000 0.852 518 N CB 0.166 38.640 38.487 -0.021 0.000 1.003 518 N HN 0.568 nan 8.380 nan 0.000 0.424 519 W N 0.820 122.144 121.300 0.039 0.000 2.595 519 W HA 0.276 4.936 4.660 -0.001 0.000 0.257 519 W C 1.382 177.957 176.519 0.093 0.000 1.267 519 W CA 0.947 58.336 57.345 0.073 0.000 1.300 519 W CB -0.811 28.699 29.460 0.083 0.000 1.120 519 W HN 0.202 nan 8.180 nan 0.000 0.618 520 G N -1.595 107.354 108.800 0.248 0.000 2.352 520 G HA2 0.330 4.290 3.960 -0.001 0.000 0.283 520 G HA3 0.330 4.290 3.960 -0.001 0.000 0.283 520 G C -0.798 174.140 174.900 0.063 0.000 1.308 520 G CA -0.527 44.653 45.100 0.134 0.000 0.892 520 G HN 0.021 nan 8.290 nan 0.000 0.504 521 K N -0.305 120.107 120.400 0.020 0.000 2.295 521 K HA 0.582 4.902 4.320 -0.001 0.000 0.270 521 K C 1.312 177.932 176.600 0.033 0.000 1.011 521 K CA 0.855 57.159 56.287 0.028 0.000 0.953 521 K CB 0.582 33.101 32.500 0.032 0.000 0.956 521 K HN 0.999 nan 8.250 nan 0.000 0.477 522 Q N 0.469 120.309 119.800 0.066 0.000 2.112 522 Q HA -0.225 4.115 4.340 -0.001 0.000 0.206 522 Q C 1.790 177.871 176.000 0.135 0.000 0.987 522 Q CA 2.618 58.478 55.803 0.095 0.000 0.858 522 Q CB -0.711 28.073 28.738 0.077 0.000 0.905 522 Q HN 0.879 nan 8.270 nan 0.000 0.420 523 Y N 0.268 120.568 120.300 -0.000 0.000 2.283 523 Y HA -0.284 4.266 4.550 -0.001 0.000 0.285 523 Y C 1.233 177.119 175.900 -0.024 0.000 1.176 523 Y CA 2.131 60.232 58.100 0.000 0.000 1.229 523 Y CB 0.108 38.547 38.460 -0.035 0.000 0.975 523 Y HN 0.249 nan 8.280 nan 0.000 0.537 524 D N -1.398 118.975 120.400 -0.045 0.000 2.490 524 D HA -0.020 4.619 4.640 -0.001 0.000 0.244 524 D C 1.722 177.776 176.300 -0.411 0.000 0.979 524 D CA 1.528 55.273 54.000 -0.425 0.000 0.924 524 D CB -0.272 39.947 40.800 -0.968 0.000 1.075 524 D HN 0.280 nan 8.370 nan 0.000 0.488 525 V N -0.571 119.216 119.914 -0.212 0.000 3.421 525 V HA 0.142 4.262 4.120 -0.001 0.000 0.316 525 V C 1.748 177.867 176.094 0.042 0.000 1.347 525 V CA 0.091 62.376 62.300 -0.025 0.000 1.183 525 V CB -0.499 31.398 31.823 0.124 0.000 1.092 525 V HN 0.190 nan 8.190 nan 0.000 0.433 526 H N 1.423 120.472 119.070 -0.035 0.000 2.319 526 H HA -0.116 4.439 4.556 -0.001 0.000 0.299 526 H C 1.936 177.193 175.328 -0.118 0.000 1.092 526 H CA 2.097 58.103 56.048 -0.070 0.000 1.302 526 H CB 0.112 29.825 29.762 -0.083 0.000 1.373 526 H HN 0.545 nan 8.280 nan 0.000 0.497 527 S N 0.234 115.804 115.700 -0.215 0.000 2.603 527 S HA 0.069 4.539 4.470 -0.001 0.000 0.229 527 S C 1.898 176.371 174.600 -0.212 0.000 0.972 527 S CA 0.062 58.112 58.200 -0.249 0.000 0.935 527 S CB 0.068 63.176 63.200 -0.154 0.000 0.769 527 S HN 0.359 nan 8.310 nan 0.000 0.536 528 L N -0.810 120.304 121.223 -0.182 0.000 2.640 528 L HA 0.206 4.545 4.340 -0.001 0.000 0.230 528 L C 1.688 178.604 176.870 0.076 0.000 1.123 528 L CA 0.183 54.970 54.840 -0.089 0.000 0.900 528 L CB -0.235 41.826 42.059 0.002 0.000 1.146 528 L HN 0.305 nan 8.230 nan 0.000 0.484 529 Y N 1.354 121.587 120.300 -0.111 0.000 2.114 529 Y HA -0.194 4.356 4.550 -0.001 0.000 0.284 529 Y C 2.384 178.229 175.900 -0.092 0.000 1.143 529 Y CA 1.933 59.967 58.100 -0.110 0.000 1.135 529 Y CB -0.270 38.092 38.460 -0.164 0.000 0.980 529 Y HN 0.117 nan 8.280 nan 0.000 0.499 530 G N -1.034 107.857 108.800 0.152 0.000 2.440 530 G HA2 -0.388 3.572 3.960 -0.001 0.000 0.218 530 G HA3 -0.388 3.572 3.960 -0.001 0.000 0.218 530 G C 1.532 176.440 174.900 0.015 0.000 1.154 530 G CA 1.159 46.307 45.100 0.080 0.000 0.767 530 G HN 0.593 nan 8.290 nan 0.000 0.552 531 Y N 2.809 123.083 120.300 -0.043 0.000 2.097 531 Y HA -0.235 4.315 4.550 -0.001 0.000 0.282 531 Y C 3.119 178.928 175.900 -0.151 0.000 1.152 531 Y CA 2.117 60.200 58.100 -0.028 0.000 1.136 531 Y CB -0.534 37.955 38.460 0.049 0.000 0.975 531 Y HN 0.308 nan 8.280 nan 0.000 0.498 532 S N -0.239 115.301 115.700 -0.265 0.000 2.423 532 S HA -0.229 4.241 4.470 -0.001 0.000 0.231 532 S C 2.152 176.402 174.600 -0.583 0.000 1.014 532 S CA 1.275 59.188 58.200 -0.480 0.000 0.965 532 S CB -0.698 62.158 63.200 -0.573 0.000 0.785 532 S HN 0.652 nan 8.310 nan 0.000 0.495 533 M N 1.251 120.435 119.600 -0.693 0.000 2.254 533 M HA 0.078 4.557 4.480 -0.001 0.000 0.265 533 M C 2.348 178.279 176.300 -0.616 0.000 1.066 533 M CA 1.322 56.000 55.300 -1.036 0.000 1.123 533 M CB -0.529 31.412 32.600 -1.098 0.000 1.388 533 M HN 0.535 nan 8.290 nan 0.000 0.425 534 A N 0.728 123.312 122.820 -0.395 0.000 1.902 534 A HA -0.155 4.165 4.320 -0.001 0.000 0.217 534 A C 1.900 179.304 177.584 -0.300 0.000 1.181 534 A CA 1.467 53.356 52.037 -0.246 0.000 0.623 534 A CB -0.875 18.051 19.000 -0.124 0.000 0.818 534 A HN 0.558 nan 8.150 nan 0.000 0.443 535 I N -0.209 120.047 120.570 -0.524 0.000 2.179 535 I HA -0.277 3.892 4.170 -0.001 0.000 0.242 535 I C 2.976 178.949 176.117 -0.241 0.000 1.088 535 I CA 1.079 62.061 61.300 -0.530 0.000 1.357 535 I CB -0.333 37.268 38.000 -0.665 0.000 1.051 535 I HN 0.346 nan 8.210 nan 0.000 0.409 536 A N 0.259 122.928 122.820 -0.252 0.000 1.908 536 A HA -0.217 4.103 4.320 -0.001 0.000 0.218 536 A C 2.373 180.029 177.584 0.120 0.000 1.181 536 A CA 2.548 54.539 52.037 -0.076 0.000 0.627 536 A CB -1.131 17.745 19.000 -0.206 0.000 0.818 536 A HN 0.414 nan 8.150 nan 0.000 0.445 537 T N -0.775 113.817 114.554 0.062 0.000 2.951 537 T HA -0.072 4.278 4.350 -0.001 0.000 0.268 537 T C 1.774 176.562 174.700 0.146 0.000 1.073 537 T CA 1.200 63.445 62.100 0.242 0.000 1.134 537 T CB -0.122 68.871 68.868 0.208 0.000 0.884 537 T HN 0.666 nan 8.240 nan 0.000 0.479 538 E N 0.858 121.098 120.200 0.066 0.000 2.110 538 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 538 E C 2.258 178.920 176.600 0.102 0.000 0.988 538 E CA 1.020 57.470 56.400 0.084 0.000 0.804 538 E CB 0.033 29.786 29.700 0.089 0.000 0.745 538 E HN 0.430 nan 8.360 nan 0.000 0.458 539 Q N 0.021 119.878 119.800 0.094 0.000 2.050 539 Q HA -0.111 4.229 4.340 -0.001 0.000 0.202 539 Q C 2.030 178.099 176.000 0.115 0.000 0.980 539 Q CA 1.795 57.658 55.803 0.100 0.000 0.840 539 Q CB -0.248 28.548 28.738 0.095 0.000 0.898 539 Q HN 0.345 nan 8.270 nan 0.000 0.424 540 A N -0.311 122.602 122.820 0.154 0.000 1.948 540 A HA -0.197 4.123 4.320 -0.001 0.000 0.220 540 A C 2.266 179.920 177.584 0.116 0.000 1.177 540 A CA 1.666 53.770 52.037 0.112 0.000 0.636 540 A CB -0.879 18.181 19.000 0.100 0.000 0.815 540 A HN 0.270 nan 8.150 nan 0.000 0.449 541 V N -0.242 119.781 119.914 0.183 0.000 2.407 541 V HA -0.234 3.886 4.120 -0.001 0.000 0.248 541 V C 2.716 178.943 176.094 0.223 0.000 1.055 541 V CA 2.038 64.508 62.300 0.283 0.000 1.049 541 V CB -0.610 31.374 31.823 0.268 0.000 0.662 541 V HN 0.535 nan 8.190 nan 0.000 0.455 542 Q N -0.342 119.541 119.800 0.139 0.000 2.167 542 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 542 Q C 2.272 178.303 176.000 0.051 0.000 0.970 542 Q CA 1.263 57.126 55.803 0.100 0.000 0.855 542 Q CB -0.369 28.418 28.738 0.081 0.000 0.911 542 Q HN 0.494 nan 8.270 nan 0.000 0.438 543 K N 0.091 120.505 120.400 0.023 0.000 2.001 543 K HA -0.054 4.266 4.320 -0.001 0.000 0.208 543 K C 2.068 178.602 176.600 -0.110 0.000 1.048 543 K CA 1.015 57.283 56.287 -0.031 0.000 0.932 543 K CB 0.003 32.484 32.500 -0.033 0.000 0.715 543 K HN 0.058 nan 8.250 nan 0.000 0.437 544 V N 0.510 120.314 119.914 -0.184 0.000 2.323 544 V HA -0.152 3.967 4.120 -0.001 0.000 0.244 544 V C 0.912 176.570 176.094 -0.728 0.000 1.041 544 V CA 1.332 63.314 62.300 -0.531 0.000 1.025 544 V CB -0.307 31.061 31.823 -0.759 0.000 0.656 544 V HN 0.092 nan 8.190 nan 0.000 0.451 545 F N 0.949 120.830 119.950 -0.113 0.000 2.363 545 F HA 0.479 5.006 4.527 -0.001 0.000 0.366 545 F C -2.587 173.199 175.800 -0.024 0.000 1.083 545 F CA -2.849 55.102 58.000 -0.082 0.000 1.176 545 F CB 0.079 39.055 39.000 -0.040 0.000 1.432 545 F HN 0.016 nan 8.300 nan 0.000 0.482 546 P HA -0.001 nan 4.420 nan 0.000 0.263 546 P C 0.487 177.840 177.300 0.089 0.000 1.195 546 P CA 0.560 63.700 63.100 0.067 0.000 0.762 546 P CB 0.484 32.200 31.700 0.027 0.000 0.799 547 N N 0.468 119.219 118.700 0.084 0.000 2.732 547 N HA -0.193 4.546 4.740 -0.001 0.000 0.250 547 N C -0.269 175.290 175.510 0.083 0.000 1.097 547 N CA 1.284 54.379 53.050 0.075 0.000 0.812 547 N CB -0.666 37.857 38.487 0.060 0.000 1.148 547 N HN 0.308 nan 8.380 nan 0.000 0.572 548 K N -0.020 120.448 120.400 0.114 0.000 2.132 548 K HA 0.350 4.670 4.320 -0.001 0.000 0.241 548 K C 1.275 177.920 176.600 0.075 0.000 1.000 548 K CA -0.509 55.838 56.287 0.101 0.000 0.911 548 K CB 0.545 33.122 32.500 0.127 0.000 1.093 548 K HN 0.150 nan 8.250 nan 0.000 0.460 549 R N 0.178 120.704 120.500 0.043 0.000 2.128 549 R HA 0.001 4.341 4.340 -0.001 0.000 0.211 549 R C 0.891 177.185 176.300 -0.009 0.000 1.067 549 R CA 0.595 56.699 56.100 0.006 0.000 1.010 549 R CB 0.175 30.455 30.300 -0.033 0.000 0.922 549 R HN 0.865 nan 8.270 nan 0.000 0.457 550 S N -0.695 115.003 115.700 -0.005 0.000 3.525 550 S HA -0.313 4.157 4.470 -0.001 0.000 0.629 550 S C -0.687 173.949 174.600 0.060 0.000 2.621 550 S CA 1.220 59.423 58.200 0.005 0.000 3.752 550 S CB -0.785 62.283 63.200 -0.220 0.000 0.260 550 S HN 0.252 nan 8.310 nan 0.000 1.214 551 F N 0.879 120.770 119.950 -0.099 0.000 2.604 551 F HA 0.725 5.252 4.527 -0.001 0.000 0.316 551 F C -1.182 174.580 175.800 -0.062 0.000 1.136 551 F CA -0.739 57.145 58.000 -0.195 0.000 0.989 551 F CB 1.077 39.928 39.000 -0.248 0.000 1.258 551 F HN 0.533 nan 8.300 nan 0.000 0.451 552 I N 7.317 127.501 120.570 -0.643 0.000 2.468 552 I HA 0.351 4.521 4.170 -0.001 0.000 0.284 552 I C -1.580 174.056 176.117 -0.801 0.000 1.038 552 I CA -0.858 60.118 61.300 -0.540 0.000 1.083 552 I CB 1.843 39.720 38.000 -0.206 0.000 1.223 552 I HN 0.427 nan 8.210 nan 0.000 0.443 553 L N 6.341 127.088 121.223 -0.793 0.000 2.287 553 L HA 0.602 4.941 4.340 -0.001 0.000 0.287 553 L C -0.104 176.740 176.870 -0.044 0.000 1.022 553 L CA 0.373 54.860 54.840 -0.588 0.000 0.814 553 L CB 1.636 43.213 42.059 -0.804 0.000 1.217 553 L HN 0.566 nan 8.230 nan 0.000 0.420 554 T N 3.800 118.386 114.554 0.053 0.000 2.918 554 T HA 0.434 4.783 4.350 -0.001 0.000 0.286 554 T C 0.728 175.631 174.700 0.338 0.000 1.026 554 T CA -0.416 61.808 62.100 0.205 0.000 1.031 554 T CB 1.546 70.478 68.868 0.106 0.000 1.046 554 T HN 0.829 nan 8.240 nan 0.000 0.479 555 R N 1.728 122.400 120.500 0.286 0.000 2.051 555 R HA 0.259 4.598 4.340 -0.001 0.000 0.218 555 R C 0.994 177.360 176.300 0.111 0.000 1.188 555 R CA 0.264 56.361 56.100 -0.005 0.000 0.992 555 R CB -0.404 29.791 30.300 -0.175 0.000 0.883 555 R HN 0.596 nan 8.270 nan 0.000 0.444 556 S N 0.412 116.188 115.700 0.127 0.000 2.572 556 S HA 0.128 4.598 4.470 -0.001 0.000 0.279 556 S C -0.711 173.982 174.600 0.155 0.000 1.341 556 S CA -0.053 58.240 58.200 0.156 0.000 1.043 556 S CB 0.760 64.035 63.200 0.125 0.000 0.887 556 S HN 0.423 nan 8.310 nan 0.000 0.516 557 T N 2.696 117.349 114.554 0.165 0.000 2.956 557 T HA 0.622 4.972 4.350 -0.001 0.000 0.312 557 T C -1.005 173.849 174.700 0.256 0.000 1.151 557 T CA -0.644 61.568 62.100 0.187 0.000 1.024 557 T CB 1.039 69.968 68.868 0.102 0.000 1.140 557 T HN 0.542 nan 8.240 nan 0.000 0.473 558 F N 1.562 121.560 119.950 0.081 0.000 2.661 558 F HA 0.774 5.300 4.527 -0.001 0.000 0.347 558 F C 0.093 175.869 175.800 -0.039 0.000 1.086 558 F CA -1.201 56.785 58.000 -0.023 0.000 1.016 558 F CB 1.104 39.981 39.000 -0.206 0.000 1.368 558 F HN 0.949 nan 8.300 nan 0.000 0.505 559 A N 1.371 123.634 122.820 -0.929 0.000 2.563 559 A HA 0.385 4.705 4.320 -0.001 0.000 0.256 559 A C 1.017 178.521 177.584 -0.133 0.000 1.056 559 A CA 0.866 52.576 52.037 -0.545 0.000 0.775 559 A CB -1.580 17.006 19.000 -0.690 0.000 0.973 559 A HN 2.074 nan 8.150 nan 0.000 0.516 560 G N 2.275 111.004 108.800 -0.117 0.000 2.176 560 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.252 560 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.252 560 G C 0.868 175.853 174.900 0.141 0.000 1.024 560 G CA 0.608 45.668 45.100 -0.067 0.000 0.755 560 G HN 1.191 nan 8.290 nan 0.000 0.507 561 S N -0.340 115.504 115.700 0.240 0.000 2.507 561 S HA 0.094 4.563 4.470 -0.001 0.000 0.235 561 S C 2.512 177.205 174.600 0.154 0.000 0.988 561 S CA 1.285 59.689 58.200 0.340 0.000 0.944 561 S CB -0.098 63.297 63.200 0.324 0.000 0.762 561 S HN 1.205 nan 8.310 nan 0.000 0.526 562 G N 1.886 110.725 108.800 0.066 0.000 2.462 562 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.220 562 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.220 562 G C 1.321 176.165 174.900 -0.094 0.000 1.121 562 G CA 0.626 45.732 45.100 0.011 0.000 0.758 562 G HN 0.467 nan 8.290 nan 0.000 0.559 563 R N -0.620 119.739 120.500 -0.234 0.000 2.193 563 R HA -0.061 4.278 4.340 -0.001 0.000 0.229 563 R C 1.910 177.918 176.300 -0.487 0.000 1.110 563 R CA 1.347 57.181 56.100 -0.443 0.000 0.988 563 R CB -0.088 29.802 30.300 -0.683 0.000 0.871 563 R HN 0.501 nan 8.270 nan 0.000 0.458 564 H N -2.395 116.667 119.070 -0.015 0.000 2.800 564 H HA 0.399 4.955 4.556 -0.001 0.000 0.257 564 H C 0.102 175.392 175.328 -0.062 0.000 0.967 564 H CA 0.654 56.680 56.048 -0.037 0.000 1.192 564 H CB 0.929 30.655 29.762 -0.061 0.000 1.441 564 H HN 0.219 nan 8.280 nan 0.000 0.461 565 A N 0.676 123.521 122.820 0.041 0.000 2.583 565 A HA 0.746 5.066 4.320 -0.001 0.000 0.289 565 A C -1.034 176.498 177.584 -0.086 0.000 1.151 565 A CA -0.126 51.879 52.037 -0.054 0.000 0.695 565 A CB 1.242 20.223 19.000 -0.032 0.000 1.290 565 A HN 0.232 nan 8.150 nan 0.000 0.419 566 A N -0.309 122.382 122.820 -0.215 0.000 2.282 566 A HA 0.739 5.059 4.320 -0.001 0.000 0.319 566 A C -0.557 176.938 177.584 -0.147 0.000 1.121 566 A CA -0.189 51.716 52.037 -0.220 0.000 0.836 566 A CB 0.534 19.277 19.000 -0.428 0.000 1.146 566 A HN 1.466 nan 8.150 nan 0.000 0.494 567 H N -0.603 118.334 119.070 -0.221 0.000 2.717 567 H HA 0.581 5.137 4.556 -0.001 0.000 0.366 567 H C -1.197 174.028 175.328 -0.171 0.000 1.132 567 H CA -0.705 55.227 56.048 -0.194 0.000 1.180 567 H CB 1.102 30.695 29.762 -0.282 0.000 1.678 567 H HN 0.861 nan 8.280 nan 0.000 0.537 568 W N 5.497 126.209 121.300 -0.981 0.000 2.719 568 W HA 0.422 5.082 4.660 -0.001 0.000 0.352 568 W C -0.955 174.964 176.519 -1.000 0.000 1.085 568 W CA -1.208 55.694 57.345 -0.737 0.000 1.187 568 W CB 0.959 30.191 29.460 -0.380 0.000 1.417 568 W HN 0.520 nan 8.180 nan 0.000 0.557 569 L N 4.181 124.959 121.223 -0.742 0.000 2.711 569 L HA 0.230 4.570 4.340 -0.001 0.000 0.242 569 L C 1.271 177.806 176.870 -0.558 0.000 1.153 569 L CA 0.994 55.504 54.840 -0.550 0.000 0.898 569 L CB -1.430 40.539 42.059 -0.150 0.000 1.044 569 L HN 1.021 nan 8.230 nan 0.000 0.437 570 G N 0.288 108.264 108.800 -1.373 0.000 2.568 570 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.222 570 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.222 570 G C -0.666 174.117 174.900 -0.194 0.000 1.321 570 G CA -0.455 44.026 45.100 -1.031 0.000 0.893 570 G HN 0.233 nan 8.290 nan 0.000 0.569 571 D N 2.430 122.859 120.400 0.048 0.000 2.558 571 D HA 0.342 4.981 4.640 -0.001 0.000 0.221 571 D C 1.155 177.645 176.300 0.315 0.000 1.143 571 D CA 0.006 54.075 54.000 0.114 0.000 1.010 571 D CB -0.314 40.611 40.800 0.208 0.000 1.068 571 D HN 0.651 nan 8.370 nan 0.000 0.511 572 N N -0.054 118.836 118.700 0.317 0.000 2.328 572 N HA 0.251 4.990 4.740 -0.001 0.000 0.277 572 N C -0.298 175.429 175.510 0.362 0.000 1.286 572 N CA -0.308 52.954 53.050 0.354 0.000 0.949 572 N CB 0.243 38.958 38.487 0.381 0.000 1.136 572 N HN -0.084 nan 8.380 nan 0.000 0.550 573 T N -1.443 113.305 114.554 0.322 0.000 2.886 573 T HA 0.659 5.008 4.350 -0.001 0.000 0.292 573 T C -0.470 174.371 174.700 0.235 0.000 1.012 573 T CA -0.682 61.551 62.100 0.221 0.000 0.982 573 T CB 1.412 70.395 68.868 0.190 0.000 1.018 573 T HN 0.739 nan 8.240 nan 0.000 0.451 574 A N 2.729 125.624 122.820 0.124 0.000 2.535 574 A HA 0.518 4.837 4.320 -0.001 0.000 0.290 574 A C 0.619 178.275 177.584 0.120 0.000 1.270 574 A CA -0.026 52.104 52.037 0.155 0.000 0.937 574 A CB -0.961 18.053 19.000 0.024 0.000 1.096 574 A HN 1.044 nan 8.150 nan 0.000 0.534 575 S N 1.705 117.470 115.700 0.109 0.000 2.560 575 S HA 0.348 4.817 4.470 -0.001 0.000 0.283 575 S C -0.095 174.402 174.600 -0.172 0.000 1.141 575 S CA -0.643 57.562 58.200 0.008 0.000 0.902 575 S CB 0.024 63.237 63.200 0.022 0.000 1.104 575 S HN 0.526 nan 8.310 nan 0.000 0.454 576 W N 2.403 123.588 121.300 -0.192 0.000 2.381 576 W HA 0.106 4.766 4.660 -0.001 0.000 0.301 576 W C 2.201 178.448 176.519 -0.454 0.000 1.205 576 W CA 1.345 58.514 57.345 -0.295 0.000 1.285 576 W CB -0.399 28.942 29.460 -0.198 0.000 1.133 576 W HN 0.855 nan 8.180 nan 0.000 0.521 577 E N 0.081 120.085 120.200 -0.327 0.000 2.048 577 E HA -0.309 4.041 4.350 -0.001 0.000 0.202 577 E C 2.118 177.918 176.600 -1.334 0.000 1.021 577 E CA 1.775 57.621 56.400 -0.924 0.000 0.825 577 E CB -0.483 28.542 29.700 -1.125 0.000 0.756 577 E HN 0.351 nan 8.360 nan 0.000 0.454 578 Q N -0.276 119.012 119.800 -0.853 0.000 2.226 578 Q HA -0.140 4.199 4.340 -0.001 0.000 0.204 578 Q C 2.099 177.965 176.000 -0.223 0.000 0.975 578 Q CA 0.855 56.463 55.803 -0.326 0.000 0.866 578 Q CB -0.137 28.641 28.738 0.067 0.000 0.915 578 Q HN 0.420 nan 8.270 nan 0.000 0.440 579 M N 0.402 119.621 119.600 -0.636 0.000 2.156 579 M HA -0.166 4.313 4.480 -0.001 0.000 0.264 579 M C 2.059 178.113 176.300 -0.411 0.000 1.067 579 M CA 1.389 56.103 55.300 -0.977 0.000 1.131 579 M CB -0.053 31.603 32.600 -1.573 0.000 1.368 579 M HN 0.142 nan 8.290 nan 0.000 0.416 580 E N -0.237 119.768 120.200 -0.326 0.000 2.058 580 E HA -0.245 4.104 4.350 -0.001 0.000 0.194 580 E C 1.649 178.314 176.600 0.109 0.000 0.997 580 E CA 1.659 57.993 56.400 -0.110 0.000 0.801 580 E CB -0.162 29.463 29.700 -0.126 0.000 0.746 580 E HN 0.623 nan 8.360 nan 0.000 0.450 581 W N 0.971 122.287 121.300 0.027 0.000 2.468 581 W HA -0.075 4.585 4.660 -0.001 0.000 0.262 581 W C 2.640 179.200 176.519 0.069 0.000 1.241 581 W CA 1.158 58.541 57.345 0.062 0.000 1.232 581 W CB -1.130 28.379 29.460 0.082 0.000 1.124 581 W HN 0.223 nan 8.180 nan 0.000 0.597 582 S N -0.242 115.624 115.700 0.278 0.000 2.428 582 S HA -0.123 4.347 4.470 -0.001 0.000 0.230 582 S C 1.761 176.431 174.600 0.117 0.000 1.014 582 S CA 0.912 59.243 58.200 0.218 0.000 0.957 582 S CB -0.671 62.713 63.200 0.306 0.000 0.784 582 S HN 0.216 nan 8.310 nan 0.000 0.499 583 I N 1.918 122.549 120.570 0.102 0.000 2.163 583 I HA -0.134 4.036 4.170 -0.001 0.000 0.240 583 I C 3.117 179.187 176.117 -0.078 0.000 1.081 583 I CA 1.683 62.962 61.300 -0.034 0.000 1.353 583 I CB -0.808 37.191 38.000 -0.002 0.000 1.054 583 I HN 0.454 nan 8.210 nan 0.000 0.407 584 T N -0.080 114.491 114.554 0.029 0.000 2.962 584 T HA -0.060 4.290 4.350 -0.001 0.000 0.270 584 T C 1.799 176.551 174.700 0.087 0.000 1.088 584 T CA 1.442 63.561 62.100 0.031 0.000 1.127 584 T CB -0.456 68.513 68.868 0.168 0.000 0.883 584 T HN 0.470 nan 8.240 nan 0.000 0.493 585 G N 0.997 109.869 108.800 0.121 0.000 2.394 585 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.215 585 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.215 585 G C 1.597 176.605 174.900 0.181 0.000 1.165 585 G CA 0.772 45.981 45.100 0.182 0.000 0.784 585 G HN 0.557 nan 8.290 nan 0.000 0.535 586 M N 0.180 119.802 119.600 0.036 0.000 2.086 586 M HA 0.035 4.515 4.480 -0.001 0.000 0.261 586 M C 2.425 178.695 176.300 -0.050 0.000 1.067 586 M CA 1.362 56.648 55.300 -0.023 0.000 1.116 586 M CB -0.284 32.217 32.600 -0.165 0.000 1.348 586 M HN 0.188 nan 8.290 nan 0.000 0.407 587 L N 0.206 121.311 121.223 -0.197 0.000 2.079 587 L HA -0.223 4.116 4.340 -0.001 0.000 0.210 587 L C 2.244 178.986 176.870 -0.213 0.000 1.081 587 L CA 1.570 56.200 54.840 -0.350 0.000 0.752 587 L CB -0.736 40.832 42.059 -0.819 0.000 0.896 587 L HN 0.412 nan 8.230 nan 0.000 0.433 588 E N -0.572 119.581 120.200 -0.079 0.000 2.150 588 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 588 E C 2.003 178.146 176.600 -0.761 0.000 0.985 588 E CA 1.094 57.335 56.400 -0.264 0.000 0.814 588 E CB -0.005 29.607 29.700 -0.147 0.000 0.752 588 E HN 0.353 nan 8.360 nan 0.000 0.466 589 F N 0.201 119.964 119.950 -0.312 0.000 2.367 589 F HA -0.070 4.457 4.527 -0.001 0.000 0.298 589 F C 2.440 178.184 175.800 -0.093 0.000 1.094 589 F CA 0.547 58.468 58.000 -0.131 0.000 1.409 589 F CB 0.085 39.142 39.000 0.095 0.000 1.064 589 F HN -0.095 nan 8.300 nan 0.000 0.528 590 S N 0.637 116.344 115.700 0.012 0.000 2.359 590 S HA -0.197 4.273 4.470 -0.001 0.000 0.224 590 S C 2.177 176.758 174.600 -0.031 0.000 1.035 590 S CA 1.310 59.494 58.200 -0.026 0.000 1.018 590 S CB -0.605 62.541 63.200 -0.089 0.000 0.876 590 S HN 0.299 nan 8.310 nan 0.000 0.448 591 L N 0.025 121.183 121.223 -0.109 0.000 2.079 591 L HA -0.119 4.220 4.340 -0.001 0.000 0.210 591 L C 1.720 178.640 176.870 0.083 0.000 1.081 591 L CA 1.169 56.007 54.840 -0.003 0.000 0.752 591 L CB -0.755 41.270 42.059 -0.056 0.000 0.896 591 L HN 0.290 nan 8.230 nan 0.000 0.433 592 F N 0.414 120.382 119.950 0.031 0.000 2.802 592 F HA 0.219 4.746 4.527 -0.001 0.000 0.300 592 F C 1.815 177.653 175.800 0.063 0.000 1.168 592 F CA 0.063 58.052 58.000 -0.019 0.000 1.433 592 F CB -1.284 37.585 39.000 -0.219 0.000 1.115 592 F HN 0.191 nan 8.300 nan 0.000 0.582 593 G N 1.326 110.239 108.800 0.188 0.000 2.246 593 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.273 593 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.273 593 G C 0.128 175.082 174.900 0.090 0.000 1.055 593 G CA 0.053 45.199 45.100 0.076 0.000 0.851 593 G HN 0.415 nan 8.290 nan 0.000 0.500 594 I N 0.751 121.429 120.570 0.181 0.000 2.697 594 I HA 0.192 4.362 4.170 -0.001 0.000 0.279 594 I C -0.989 175.238 176.117 0.184 0.000 1.171 594 I CA -2.138 59.285 61.300 0.204 0.000 1.135 594 I CB 1.442 39.651 38.000 0.347 0.000 1.445 594 I HN -0.048 nan 8.210 nan 0.000 0.541 595 P HA -0.119 nan 4.420 nan 0.000 0.219 595 P C 0.738 178.170 177.300 0.220 0.000 1.150 595 P CA 0.627 63.771 63.100 0.073 0.000 0.814 595 P CB 0.603 32.255 31.700 -0.080 0.000 0.787 596 L N 1.243 122.679 121.223 0.355 0.000 2.404 596 L HA 0.312 4.651 4.340 -0.001 0.000 0.277 596 L C -0.461 176.507 176.870 0.165 0.000 1.184 596 L CA -0.211 54.827 54.840 0.330 0.000 1.013 596 L CB -0.456 41.674 42.059 0.117 0.000 1.318 596 L HN -0.258 nan 8.230 nan 0.000 0.435 597 V N 3.980 124.014 119.914 0.199 0.000 2.841 597 V HA 1.009 5.128 4.120 -0.001 0.000 0.310 597 V C -0.122 176.055 176.094 0.139 0.000 1.090 597 V CA 0.287 62.652 62.300 0.109 0.000 0.930 597 V CB 1.919 33.775 31.823 0.056 0.000 1.014 597 V HN 0.727 nan 8.190 nan 0.000 0.425 598 G N 3.223 112.091 108.800 0.113 0.000 2.682 598 G HA2 0.873 4.832 3.960 -0.001 0.000 0.290 598 G HA3 0.873 4.832 3.960 -0.001 0.000 0.290 598 G C -1.036 173.750 174.900 -0.189 0.000 1.425 598 G CA -0.129 44.888 45.100 -0.138 0.000 0.807 598 G HN 1.353 nan 8.290 nan 0.000 0.482 599 A N -0.560 121.974 122.820 -0.477 0.000 2.263 599 A HA 0.743 5.062 4.320 -0.001 0.000 0.318 599 A C -0.817 176.865 177.584 0.163 0.000 1.111 599 A CA -0.567 51.452 52.037 -0.030 0.000 0.901 599 A CB 0.945 20.008 19.000 0.105 0.000 1.280 599 A HN 0.428 nan 8.150 nan 0.000 0.503 600 D N 1.357 121.869 120.400 0.187 0.000 2.393 600 D HA 0.330 4.970 4.640 -0.001 0.000 0.232 600 D C -0.080 176.043 176.300 -0.295 0.000 1.192 600 D CA 0.420 54.451 54.000 0.052 0.000 0.882 600 D CB 0.274 41.180 40.800 0.176 0.000 1.038 600 D HN 0.359 nan 8.370 nan 0.000 0.499 601 I N 1.799 122.198 120.570 -0.286 0.000 2.741 601 I HA -0.137 4.033 4.170 -0.001 0.000 0.288 601 I C 1.075 176.699 176.117 -0.821 0.000 1.192 601 I CA 0.009 60.901 61.300 -0.680 0.000 1.426 601 I CB 0.244 38.155 38.000 -0.150 0.000 1.367 601 I HN 0.588 nan 8.210 nan 0.000 0.563 602 c N 3.959 121.704 118.600 -1.424 0.000 5.630 602 c HA -0.096 4.473 4.570 -0.001 0.000 0.238 602 c C 0.830 174.589 174.090 -0.552 0.000 1.548 602 c CA 0.216 56.178 56.329 -0.612 0.000 1.383 602 c CB -2.394 40.008 42.510 -0.180 0.000 2.325 602 c HN 1.557 nan 8.230 nan 0.000 0.594 603 G N -1.010 107.297 108.800 -0.823 0.000 3.338 603 G HA2 0.089 4.049 3.960 -0.001 0.000 0.686 603 G HA3 0.089 4.049 3.960 -0.001 0.000 0.686 603 G C -0.307 174.549 174.900 -0.074 0.000 1.053 603 G CA 0.104 45.034 45.100 -0.283 0.000 0.852 603 G HN 0.957 nan 8.290 nan 0.000 0.545 604 F N 3.098 122.997 119.950 -0.084 0.000 1.990 604 F HA 0.206 4.732 4.527 -0.001 0.000 0.294 604 F C 1.894 177.638 175.800 -0.092 0.000 1.177 604 F CA 1.955 59.940 58.000 -0.026 0.000 1.167 604 F CB -0.443 38.643 39.000 0.142 0.000 0.971 604 F HN 0.523 nan 8.300 nan 0.000 0.483 605 V N 1.385 121.287 119.914 -0.021 0.000 2.740 605 V HA 0.401 4.521 4.120 -0.001 0.000 0.303 605 V C 0.350 176.136 176.094 -0.513 0.000 1.054 605 V CA -0.551 61.584 62.300 -0.274 0.000 1.106 605 V CB -0.424 31.436 31.823 0.061 0.000 0.957 605 V HN 0.846 nan 8.190 nan 0.000 0.486 606 A N 3.518 125.625 122.820 -1.188 0.000 2.441 606 A HA -0.098 4.222 4.320 -0.001 0.000 0.686 606 A C -0.113 177.037 177.584 -0.723 0.000 0.143 606 A CA -0.025 51.464 52.037 -0.913 0.000 0.029 606 A CB -0.915 17.926 19.000 -0.265 0.000 3.973 606 A HN 0.864 nan 8.150 nan 0.000 0.548 607 E N 0.175 120.219 120.200 -0.260 0.000 2.331 607 E HA 0.429 4.779 4.350 -0.001 0.000 0.272 607 E C 0.443 177.039 176.600 -0.007 0.000 1.036 607 E CA 0.330 56.700 56.400 -0.051 0.000 0.864 607 E CB 1.235 30.985 29.700 0.082 0.000 1.035 607 E HN 0.749 nan 8.360 nan 0.000 0.408 608 T N 1.430 116.009 114.554 0.042 0.000 2.918 608 T HA 0.205 4.555 4.350 -0.001 0.000 0.283 608 T C -0.088 174.719 174.700 0.179 0.000 1.001 608 T CA -0.499 61.660 62.100 0.099 0.000 1.041 608 T CB 0.953 69.888 68.868 0.111 0.000 1.028 608 T HN 0.329 nan 8.240 nan 0.000 0.511 609 T N 3.309 117.962 114.554 0.166 0.000 2.882 609 T HA 0.195 4.545 4.350 -0.001 0.000 0.287 609 T C 1.399 176.227 174.700 0.213 0.000 1.014 609 T CA -0.744 61.479 62.100 0.204 0.000 1.049 609 T CB 1.207 70.202 68.868 0.211 0.000 1.001 609 T HN 0.713 nan 8.240 nan 0.000 0.525 610 E N 1.226 121.574 120.200 0.247 0.000 2.058 610 E HA -0.200 4.150 4.350 -0.001 0.000 0.194 610 E C 1.931 178.524 176.600 -0.012 0.000 0.997 610 E CA 1.548 58.009 56.400 0.101 0.000 0.801 610 E CB -0.045 29.766 29.700 0.184 0.000 0.746 610 E HN 0.830 nan 8.360 nan 0.000 0.450 611 E N 0.048 120.313 120.200 0.109 0.000 2.051 611 E HA -0.198 4.151 4.350 -0.001 0.000 0.192 611 E C 2.461 179.136 176.600 0.126 0.000 0.991 611 E CA 1.145 57.646 56.400 0.168 0.000 0.799 611 E CB -0.180 29.695 29.700 0.292 0.000 0.748 611 E HN 0.190 nan 8.360 nan 0.000 0.449 612 L N 0.816 122.071 121.223 0.053 0.000 1.994 612 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 612 L C 2.554 179.276 176.870 -0.247 0.000 1.071 612 L CA 2.017 56.591 54.840 -0.444 0.000 0.745 612 L CB -0.867 40.919 42.059 -0.456 0.000 0.892 612 L HN 0.339 nan 8.230 nan 0.000 0.431 613 c N -0.099 118.439 118.600 -0.103 0.000 2.432 613 c HA -0.089 4.481 4.570 -0.001 0.000 0.280 613 c C 3.054 177.060 174.090 -0.139 0.000 1.353 613 c CA 0.886 57.163 56.329 -0.086 0.000 1.766 613 c CB -1.042 41.380 42.510 -0.146 0.000 1.924 613 c HN 0.691 nan 8.230 nan 0.000 0.509 614 R N 0.073 120.467 120.500 -0.177 0.000 2.081 614 R HA -0.076 4.264 4.340 -0.001 0.000 0.235 614 R C 2.420 178.689 176.300 -0.051 0.000 1.131 614 R CA 1.341 57.365 56.100 -0.126 0.000 0.960 614 R CB -0.245 29.999 30.300 -0.093 0.000 0.856 614 R HN 0.370 nan 8.270 nan 0.000 0.436 615 R N -0.041 120.430 120.500 -0.049 0.000 2.066 615 R HA -0.147 4.193 4.340 -0.001 0.000 0.232 615 R C 1.927 178.209 176.300 -0.029 0.000 1.131 615 R CA 1.038 57.107 56.100 -0.051 0.000 0.955 615 R CB -1.131 29.134 30.300 -0.059 0.000 0.851 615 R HN 0.423 nan 8.270 nan 0.000 0.432 616 W N 0.949 122.117 121.300 -0.221 0.000 2.374 616 W HA -0.087 4.573 4.660 -0.001 0.000 0.288 616 W C 1.731 178.167 176.519 -0.139 0.000 1.218 616 W CA 0.851 58.091 57.345 -0.176 0.000 1.245 616 W CB -0.162 29.198 29.460 -0.168 0.000 1.126 616 W HN 0.025 nan 8.180 nan 0.000 0.545 617 M N 0.014 119.682 119.600 0.113 0.000 2.175 617 M HA -0.181 4.299 4.480 -0.001 0.000 0.264 617 M C 1.925 178.218 176.300 -0.012 0.000 1.063 617 M CA 1.545 56.852 55.300 0.012 0.000 1.119 617 M CB -1.262 31.310 32.600 -0.046 0.000 1.377 617 M HN 0.131 nan 8.290 nan 0.000 0.415 618 Q N -0.343 119.446 119.800 -0.019 0.000 2.016 618 Q HA -0.175 4.164 4.340 -0.001 0.000 0.200 618 Q C 2.061 178.050 176.000 -0.018 0.000 0.978 618 Q CA 1.258 57.009 55.803 -0.087 0.000 0.833 618 Q CB -0.370 28.238 28.738 -0.215 0.000 0.895 618 Q HN 0.337 nan 8.270 nan 0.000 0.427 619 L N 0.607 121.813 121.223 -0.030 0.000 2.017 619 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 619 L C 2.113 178.914 176.870 -0.114 0.000 1.073 619 L CA 2.358 57.185 54.840 -0.022 0.000 0.745 619 L CB -1.049 40.964 42.059 -0.076 0.000 0.894 619 L HN 0.217 nan 8.230 nan 0.000 0.432 620 G N -1.067 107.615 108.800 -0.197 0.000 2.462 620 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.220 620 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.220 620 G C 1.563 176.396 174.900 -0.111 0.000 1.121 620 G CA 0.698 45.589 45.100 -0.348 0.000 0.758 620 G HN 0.681 nan 8.290 nan 0.000 0.559 621 A N -0.278 122.472 122.820 -0.116 0.000 2.186 621 A HA 0.210 4.529 4.320 -0.001 0.000 0.219 621 A C 1.516 178.809 177.584 -0.484 0.000 1.159 621 A CA 0.851 52.704 52.037 -0.307 0.000 0.680 621 A CB -0.343 18.384 19.000 -0.454 0.000 0.787 621 A HN 0.364 nan 8.150 nan 0.000 0.467 622 F N -2.908 117.104 119.950 0.104 0.000 2.724 622 F HA 0.311 4.838 4.527 -0.001 0.000 0.310 622 F C -0.250 175.972 175.800 0.704 0.000 1.107 622 F CA -1.050 57.125 58.000 0.291 0.000 1.218 622 F CB 0.218 39.158 39.000 -0.100 0.000 1.042 622 F HN 0.022 nan 8.300 nan 0.000 0.540 623 Y N 2.142 122.780 120.300 0.563 0.000 2.511 623 Y HA 0.147 4.697 4.550 -0.001 0.000 0.332 623 Y C -1.203 174.953 175.900 0.427 0.000 1.177 623 Y CA -3.062 55.301 58.100 0.437 0.000 1.422 623 Y CB -0.092 38.534 38.460 0.276 0.000 1.271 623 Y HN -0.096 nan 8.280 nan 0.000 0.550 624 P HA -0.206 nan 4.420 nan 0.000 0.215 624 P C -0.100 177.423 177.300 0.372 0.000 1.157 624 P CA 1.498 64.798 63.100 0.332 0.000 0.874 624 P CB 0.120 31.976 31.700 0.261 0.000 0.790 625 F N -0.083 119.992 119.950 0.208 0.000 2.388 625 F HA 0.528 5.054 4.527 -0.001 0.000 0.358 625 F C -0.188 175.732 175.800 0.199 0.000 1.122 625 F CA -1.111 56.965 58.000 0.127 0.000 1.056 625 F CB 0.940 39.981 39.000 0.070 0.000 1.155 625 F HN -0.325 nan 8.300 nan 0.000 0.461 626 S N 7.910 123.379 115.700 -0.385 0.000 2.601 626 S HA 0.525 4.994 4.470 -0.001 0.000 0.312 626 S C -0.835 173.528 174.600 -0.396 0.000 1.107 626 S CA -0.618 57.510 58.200 -0.121 0.000 1.129 626 S CB 0.035 63.348 63.200 0.189 0.000 0.982 626 S HN 0.882 nan 8.310 nan 0.000 0.469 627 R N 4.088 124.306 120.500 -0.471 0.000 2.564 627 R HA 0.328 4.668 4.340 -0.001 0.000 0.284 627 R C -1.483 174.655 176.300 -0.270 0.000 1.031 627 R CA -0.641 55.105 56.100 -0.590 0.000 0.904 627 R CB 0.989 30.811 30.300 -0.797 0.000 1.199 627 R HN 0.586 nan 8.270 nan 0.000 0.443 628 N N 2.748 121.286 118.700 -0.269 0.000 2.444 628 N HA 0.129 4.868 4.740 -0.001 0.000 0.271 628 N C -1.550 173.956 175.510 -0.006 0.000 1.069 628 N CA 0.158 53.176 53.050 -0.053 0.000 0.965 628 N CB 0.911 39.469 38.487 0.117 0.000 1.092 628 N HN 0.665 nan 8.380 nan 0.000 0.476 629 H N 2.075 121.096 119.070 -0.082 0.000 2.996 629 H HA 0.507 5.062 4.556 -0.001 0.000 0.368 629 H C -1.502 173.902 175.328 0.126 0.000 1.185 629 H CA -0.673 55.379 56.048 0.007 0.000 1.160 629 H CB 1.161 30.895 29.762 -0.048 0.000 1.820 629 H HN 0.537 nan 8.280 nan 0.000 0.547 630 N N 1.143 119.595 118.700 -0.414 0.000 2.277 630 N HA 0.315 5.054 4.740 -0.001 0.000 0.286 630 N C -1.280 173.922 175.510 -0.514 0.000 1.140 630 N CA -0.460 52.388 53.050 -0.336 0.000 0.799 630 N CB 2.609 40.931 38.487 -0.275 0.000 1.596 630 N HN 0.530 nan 8.380 nan 0.000 0.473 631 S N 0.392 115.602 115.700 -0.816 0.000 2.632 631 S HA 0.186 4.655 4.470 -0.001 0.000 0.267 631 S C -0.436 173.980 174.600 -0.306 0.000 1.276 631 S CA -0.397 57.341 58.200 -0.770 0.000 0.998 631 S CB 0.404 62.992 63.200 -1.020 0.000 0.953 631 S HN 0.561 nan 8.310 nan 0.000 0.547 632 D N 0.515 120.612 120.400 -0.504 0.000 2.493 632 D HA 0.364 5.004 4.640 -0.001 0.000 0.240 632 D C 1.267 177.163 176.300 -0.674 0.000 1.142 632 D CA 1.874 55.326 54.000 -0.913 0.000 0.872 632 D CB 0.159 39.864 40.800 -1.825 0.000 1.173 632 D HN 0.797 nan 8.370 nan 0.000 0.467 633 G N 2.535 110.979 108.800 -0.593 0.000 2.336 633 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.233 633 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.233 633 G C 0.140 174.712 174.900 -0.547 0.000 1.053 633 G CA 0.321 45.073 45.100 -0.579 0.000 0.625 633 G HN 0.531 nan 8.290 nan 0.000 0.511 634 Y N 1.867 121.977 120.300 -0.317 0.000 2.397 634 Y HA 0.532 5.082 4.550 -0.001 0.000 0.335 634 Y C 0.990 176.693 175.900 -0.328 0.000 1.213 634 Y CA -0.153 57.788 58.100 -0.265 0.000 1.391 634 Y CB 0.480 38.798 38.460 -0.237 0.000 1.293 634 Y HN 0.337 nan 8.280 nan 0.000 0.557 635 E N 1.454 121.580 120.200 -0.123 0.000 2.508 635 E HA -0.102 4.248 4.350 -0.001 0.000 0.266 635 E C -0.912 175.423 176.600 -0.443 0.000 1.010 635 E CA 0.135 56.377 56.400 -0.264 0.000 0.955 635 E CB 0.170 29.780 29.700 -0.150 0.000 0.946 635 E HN 0.525 nan 8.360 nan 0.000 0.454 636 H N 1.512 120.163 119.070 -0.699 0.000 3.016 636 H HA 0.009 4.565 4.556 -0.001 0.000 0.345 636 H C 0.363 175.241 175.328 -0.750 0.000 1.066 636 H CA 1.552 57.133 56.048 -0.778 0.000 1.390 636 H CB 0.506 29.657 29.762 -1.018 0.000 1.344 636 H HN 0.492 nan 8.280 nan 0.000 0.605 637 Q N 1.504 121.190 119.800 -0.191 0.000 2.055 637 Q HA 0.100 4.440 4.340 -0.001 0.000 0.226 637 Q C -0.923 175.240 176.000 0.271 0.000 0.805 637 Q CA -0.553 55.296 55.803 0.077 0.000 1.072 637 Q CB 0.435 29.231 28.738 0.097 0.000 1.219 637 Q HN 0.718 nan 8.270 nan 0.000 0.451 638 D N 0.695 121.215 120.400 0.200 0.000 2.362 638 D HA 0.073 4.712 4.640 -0.001 0.000 0.242 638 D C -1.784 174.736 176.300 0.365 0.000 1.132 638 D CA -1.290 52.853 54.000 0.238 0.000 0.907 638 D CB 1.560 42.456 40.800 0.160 0.000 1.195 638 D HN -0.159 nan 8.370 nan 0.000 0.429 639 P HA -0.163 nan 4.420 nan 0.000 0.215 639 P C 1.277 178.773 177.300 0.327 0.000 1.157 639 P CA 2.181 65.451 63.100 0.283 0.000 0.874 639 P CB -0.043 31.717 31.700 0.099 0.000 0.790 640 A N -1.842 121.097 122.820 0.198 0.000 2.168 640 A HA -0.108 4.212 4.320 -0.001 0.000 0.215 640 A C 1.877 179.544 177.584 0.139 0.000 1.152 640 A CA 0.565 52.684 52.037 0.136 0.000 0.716 640 A CB -1.777 17.262 19.000 0.064 0.000 0.794 640 A HN 0.187 nan 8.150 nan 0.000 0.465 641 F N -0.965 119.004 119.950 0.031 0.000 2.502 641 F HA 0.037 4.564 4.527 -0.001 0.000 0.298 641 F C 1.106 176.808 175.800 -0.165 0.000 1.111 641 F CA 0.817 58.753 58.000 -0.107 0.000 1.445 641 F CB -0.093 38.791 39.000 -0.193 0.000 1.081 641 F HN 0.216 nan 8.300 nan 0.000 0.558 642 F N 1.026 120.998 119.950 0.037 0.000 2.797 642 F HA 0.371 4.898 4.527 -0.001 0.000 0.302 642 F C 1.026 176.772 175.800 -0.090 0.000 1.130 642 F CA 0.696 58.682 58.000 -0.024 0.000 1.387 642 F CB -0.181 38.865 39.000 0.076 0.000 1.107 642 F HN 0.025 nan 8.300 nan 0.000 0.577 643 G N 0.276 109.087 108.800 0.018 0.000 2.841 643 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.684 643 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.684 643 G C 0.080 174.992 174.900 0.019 0.000 1.273 643 G CA -0.845 44.245 45.100 -0.017 0.000 0.811 643 G HN -0.098 nan 8.290 nan 0.000 0.631 644 Q N 0.525 120.323 119.800 -0.004 0.000 2.170 644 Q HA -0.083 4.256 4.340 -0.001 0.000 0.203 644 Q C 1.604 177.610 176.000 0.010 0.000 0.976 644 Q CA 1.805 57.611 55.803 0.006 0.000 0.858 644 Q CB 0.044 28.780 28.738 -0.004 0.000 0.907 644 Q HN 0.653 nan 8.270 nan 0.000 0.433 645 N N 0.078 118.783 118.700 0.008 0.000 2.328 645 N HA 0.021 4.760 4.740 -0.001 0.000 0.247 645 N C -0.712 174.809 175.510 0.017 0.000 1.165 645 N CA -0.116 52.940 53.050 0.009 0.000 0.873 645 N CB 0.825 39.314 38.487 0.004 0.000 1.125 645 N HN 0.050 nan 8.380 nan 0.000 0.513 646 S N -0.399 115.319 115.700 0.030 0.000 2.592 646 S HA 0.152 4.621 4.470 -0.001 0.000 0.271 646 S C 1.162 175.780 174.600 0.029 0.000 1.326 646 S CA -0.735 57.491 58.200 0.043 0.000 1.024 646 S CB 1.181 64.433 63.200 0.086 0.000 0.921 646 S HN 0.107 nan 8.310 nan 0.000 0.527 647 L N 2.159 123.397 121.223 0.025 0.000 2.083 647 L HA 0.019 4.358 4.340 -0.001 0.000 0.209 647 L C 2.110 178.981 176.870 0.001 0.000 1.083 647 L CA 1.528 56.377 54.840 0.015 0.000 0.752 647 L CB -1.035 41.036 42.059 0.019 0.000 0.899 647 L HN 0.930 nan 8.230 nan 0.000 0.433 648 L N -1.798 119.413 121.223 -0.020 0.000 2.012 648 L HA -0.209 4.131 4.340 -0.001 0.000 0.210 648 L C 2.314 179.163 176.870 -0.034 0.000 1.073 648 L CA 1.449 56.245 54.840 -0.074 0.000 0.748 648 L CB -0.217 41.710 42.059 -0.220 0.000 0.891 648 L HN 0.096 nan 8.230 nan 0.000 0.431 649 V N 0.390 120.308 119.914 0.006 0.000 2.358 649 V HA -0.289 3.831 4.120 -0.001 0.000 0.246 649 V C 3.131 179.220 176.094 -0.008 0.000 1.047 649 V CA 2.286 64.593 62.300 0.011 0.000 1.035 649 V CB -0.983 30.861 31.823 0.035 0.000 0.658 649 V HN 0.620 nan 8.190 nan 0.000 0.452 650 K N -0.254 120.143 120.400 -0.006 0.000 2.032 650 K HA -0.271 4.049 4.320 -0.001 0.000 0.209 650 K C 2.447 179.031 176.600 -0.027 0.000 1.048 650 K CA 2.231 58.508 56.287 -0.018 0.000 0.927 650 K CB -1.355 31.139 32.500 -0.011 0.000 0.712 650 K HN 0.499 nan 8.250 nan 0.000 0.441 651 S N 0.201 115.903 115.700 0.003 0.000 2.348 651 S HA -0.145 4.324 4.470 -0.001 0.000 0.221 651 S C 2.418 177.067 174.600 0.081 0.000 1.033 651 S CA 1.954 60.191 58.200 0.061 0.000 1.010 651 S CB -0.508 62.754 63.200 0.104 0.000 0.891 651 S HN 0.617 nan 8.310 nan 0.000 0.442 652 S N 1.360 117.075 115.700 0.024 0.000 2.359 652 S HA -0.133 4.337 4.470 -0.001 0.000 0.224 652 S C 1.964 176.524 174.600 -0.067 0.000 1.035 652 S CA 1.508 59.692 58.200 -0.027 0.000 1.018 652 S CB -0.553 62.594 63.200 -0.088 0.000 0.876 652 S HN 0.601 nan 8.310 nan 0.000 0.448 653 R N 1.106 121.564 120.500 -0.070 0.000 2.083 653 R HA -0.129 4.210 4.340 -0.001 0.000 0.237 653 R C 2.557 178.797 176.300 -0.100 0.000 1.137 653 R CA 1.578 57.627 56.100 -0.084 0.000 0.951 653 R CB -0.332 29.932 30.300 -0.061 0.000 0.851 653 R HN 0.432 nan 8.270 nan 0.000 0.434 654 Q N -0.618 119.099 119.800 -0.138 0.000 2.061 654 Q HA -0.222 4.118 4.340 -0.001 0.000 0.204 654 Q C 1.579 177.392 176.000 -0.311 0.000 0.984 654 Q CA 1.986 57.634 55.803 -0.260 0.000 0.846 654 Q CB -0.075 28.419 28.738 -0.408 0.000 0.902 654 Q HN 0.539 nan 8.270 nan 0.000 0.421 655 Y N -0.434 119.854 120.300 -0.021 0.000 2.448 655 Y HA -0.023 4.527 4.550 -0.001 0.000 0.289 655 Y C 2.066 177.882 175.900 -0.141 0.000 1.114 655 Y CA 0.194 58.279 58.100 -0.026 0.000 1.235 655 Y CB 0.258 38.739 38.460 0.034 0.000 1.045 655 Y HN 0.073 nan 8.280 nan 0.000 0.554 656 L N -0.869 120.340 121.223 -0.024 0.000 2.093 656 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 656 L C 2.196 179.114 176.870 0.080 0.000 1.085 656 L CA 1.353 56.169 54.840 -0.040 0.000 0.755 656 L CB -0.645 41.322 42.059 -0.153 0.000 0.904 656 L HN 0.197 nan 8.230 nan 0.000 0.435 657 T N 0.173 114.731 114.554 0.007 0.000 2.746 657 T HA -0.153 4.197 4.350 -0.001 0.000 0.267 657 T C 1.917 176.692 174.700 0.125 0.000 1.039 657 T CA 1.245 63.372 62.100 0.045 0.000 1.142 657 T CB -0.151 68.709 68.868 -0.014 0.000 0.866 657 T HN 0.176 nan 8.240 nan 0.000 0.444 658 I N 0.691 121.313 120.570 0.087 0.000 2.208 658 I HA -0.205 3.965 4.170 -0.001 0.000 0.245 658 I C 2.817 178.999 176.117 0.110 0.000 1.097 658 I CA 1.268 62.644 61.300 0.127 0.000 1.363 658 I CB -0.321 37.771 38.000 0.153 0.000 1.051 658 I HN 0.158 nan 8.210 nan 0.000 0.413 659 R N 0.384 120.886 120.500 0.004 0.000 2.097 659 R HA -0.255 4.084 4.340 -0.001 0.000 0.236 659 R C 2.478 178.909 176.300 0.218 0.000 1.135 659 R CA 2.178 58.284 56.100 0.011 0.000 0.934 659 R CB -0.580 29.664 30.300 -0.095 0.000 0.846 659 R HN 0.219 nan 8.270 nan 0.000 0.431 660 Y N 0.894 121.261 120.300 0.112 0.000 2.256 660 Y HA -0.184 4.365 4.550 -0.001 0.000 0.288 660 Y C 2.633 178.666 175.900 0.221 0.000 1.155 660 Y CA 2.001 60.201 58.100 0.167 0.000 1.203 660 Y CB -0.527 38.016 38.460 0.138 0.000 0.980 660 Y HN 0.213 nan 8.280 nan 0.000 0.530 661 T N -0.040 114.721 114.554 0.346 0.000 2.788 661 T HA -0.151 4.199 4.350 -0.001 0.000 0.268 661 T C 1.756 176.666 174.700 0.350 0.000 1.044 661 T CA 1.254 63.539 62.100 0.308 0.000 1.139 661 T CB -0.433 68.599 68.868 0.273 0.000 0.867 661 T HN 0.260 nan 8.240 nan 0.000 0.454 662 L N 0.413 121.867 121.223 0.385 0.000 2.591 662 L HA 0.248 4.587 4.340 -0.001 0.000 0.228 662 L C 1.996 179.204 176.870 0.564 0.000 1.133 662 L CA 0.011 55.163 54.840 0.520 0.000 0.880 662 L CB -0.504 41.916 42.059 0.601 0.000 1.033 662 L HN 0.221 nan 8.230 nan 0.000 0.450 663 L N 0.416 121.886 121.223 0.411 0.000 2.081 663 L HA -0.182 4.158 4.340 -0.001 0.000 0.212 663 L C -0.167 176.981 176.870 0.463 0.000 1.080 663 L CA 1.616 56.622 54.840 0.276 0.000 0.754 663 L CB -1.517 40.556 42.059 0.025 0.000 0.893 663 L HN 0.261 nan 8.230 nan 0.000 0.433 664 P HA -0.239 nan 4.420 nan 0.000 0.216 664 P C 1.505 179.329 177.300 0.874 0.000 1.153 664 P CA 1.403 65.065 63.100 0.937 0.000 0.858 664 P CB -0.091 32.116 31.700 0.845 0.000 0.789 665 F N 0.564 120.856 119.950 0.570 0.000 2.075 665 F HA -0.170 4.357 4.527 -0.001 0.000 0.297 665 F C 2.020 178.061 175.800 0.401 0.000 1.113 665 F CA 1.186 59.486 58.000 0.500 0.000 1.218 665 F CB -1.345 37.933 39.000 0.463 0.000 0.984 665 F HN -0.239 nan 8.300 nan 0.000 0.472 666 L N -0.113 121.141 121.223 0.053 0.000 1.990 666 L HA -0.270 4.069 4.340 -0.001 0.000 0.213 666 L C 2.315 179.211 176.870 0.043 0.000 1.072 666 L CA 2.176 56.838 54.840 -0.297 0.000 0.755 666 L CB -1.605 40.243 42.059 -0.352 0.000 0.889 666 L HN 0.354 nan 8.230 nan 0.000 0.432 667 Y N 0.073 120.446 120.300 0.122 0.000 2.207 667 Y HA -0.266 4.284 4.550 -0.001 0.000 0.287 667 Y C 2.469 178.541 175.900 0.287 0.000 1.156 667 Y CA 2.248 60.477 58.100 0.216 0.000 1.182 667 Y CB -0.694 37.933 38.460 0.278 0.000 0.979 667 Y HN 0.266 nan 8.280 nan 0.000 0.521 668 T N 0.873 115.671 114.554 0.406 0.000 2.788 668 T HA -0.171 4.178 4.350 -0.001 0.000 0.268 668 T C 2.049 176.858 174.700 0.181 0.000 1.044 668 T CA 1.645 63.958 62.100 0.355 0.000 1.139 668 T CB -0.468 68.734 68.868 0.558 0.000 0.867 668 T HN 0.299 nan 8.240 nan 0.000 0.454 669 L N -0.420 120.805 121.223 0.003 0.000 2.083 669 L HA -0.029 4.311 4.340 -0.001 0.000 0.209 669 L C 2.267 178.997 176.870 -0.234 0.000 1.083 669 L CA 1.271 56.012 54.840 -0.165 0.000 0.752 669 L CB -0.631 41.176 42.059 -0.420 0.000 0.899 669 L HN 0.190 nan 8.230 nan 0.000 0.433 670 F N -0.805 119.014 119.950 -0.217 0.000 2.216 670 F HA -0.256 4.271 4.527 -0.001 0.000 0.300 670 F C 2.555 178.165 175.800 -0.316 0.000 1.085 670 F CA 1.457 59.300 58.000 -0.262 0.000 1.326 670 F CB -0.615 38.209 39.000 -0.292 0.000 1.027 670 F HN 0.044 nan 8.300 nan 0.000 0.497 671 Y N 0.971 121.056 120.300 -0.359 0.000 2.145 671 Y HA -0.213 4.337 4.550 -0.001 0.000 0.286 671 Y C 2.212 177.896 175.900 -0.360 0.000 1.145 671 Y CA 1.773 59.509 58.100 -0.606 0.000 1.148 671 Y CB -0.580 37.247 38.460 -1.054 0.000 0.981 671 Y HN -0.093 nan 8.280 nan 0.000 0.507 672 K N 0.225 120.402 120.400 -0.372 0.000 2.147 672 K HA -0.111 4.209 4.320 -0.001 0.000 0.205 672 K C 2.350 178.807 176.600 -0.239 0.000 1.049 672 K CA 1.061 57.175 56.287 -0.288 0.000 0.936 672 K CB -0.362 32.166 32.500 0.047 0.000 0.722 672 K HN 0.457 nan 8.250 nan 0.000 0.446 673 A N 0.550 123.240 122.820 -0.216 0.000 1.858 673 A HA -0.245 4.075 4.320 -0.001 0.000 0.216 673 A C 1.970 179.432 177.584 -0.203 0.000 1.190 673 A CA 1.973 53.903 52.037 -0.178 0.000 0.617 673 A CB -0.863 18.029 19.000 -0.180 0.000 0.827 673 A HN 0.455 nan 8.150 nan 0.000 0.443 674 H N -0.869 118.004 119.070 -0.328 0.000 2.387 674 H HA -0.050 4.505 4.556 -0.001 0.000 0.299 674 H C 1.683 176.740 175.328 -0.451 0.000 1.090 674 H CA 2.022 57.863 56.048 -0.345 0.000 1.332 674 H CB 0.029 29.588 29.762 -0.338 0.000 1.386 674 H HN 0.157 nan 8.280 nan 0.000 0.516 675 V N -0.875 118.629 119.914 -0.683 0.000 2.374 675 V HA -0.054 4.065 4.120 -0.001 0.000 0.241 675 V C 1.542 177.124 176.094 -0.854 0.000 1.034 675 V CA 1.613 63.345 62.300 -0.947 0.000 1.037 675 V CB -0.348 30.611 31.823 -1.439 0.000 0.682 675 V HN 0.378 nan 8.190 nan 0.000 0.463 676 F N 0.115 119.874 119.950 -0.319 0.000 2.717 676 F HA 0.485 5.012 4.527 -0.001 0.000 0.295 676 F C 1.805 177.494 175.800 -0.186 0.000 1.117 676 F CA 0.704 58.574 58.000 -0.216 0.000 1.361 676 F CB 0.283 39.180 39.000 -0.172 0.000 1.112 676 F HN 0.273 nan 8.300 nan 0.000 0.594 677 G N 0.994 109.748 108.800 -0.078 0.000 2.132 677 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.234 677 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.234 677 G C -0.003 174.871 174.900 -0.043 0.000 0.989 677 G CA -0.248 44.794 45.100 -0.096 0.000 0.676 677 G HN 0.362 nan 8.290 nan 0.000 0.522 678 E N 0.809 121.002 120.200 -0.012 0.000 2.410 678 E HA 0.443 4.793 4.350 -0.001 0.000 0.255 678 E C 1.130 177.702 176.600 -0.047 0.000 1.194 678 E CA 0.636 57.035 56.400 -0.002 0.000 0.955 678 E CB 0.390 30.101 29.700 0.018 0.000 0.988 678 E HN 0.427 nan 8.360 nan 0.000 0.461 679 T N -1.813 112.727 114.554 -0.023 0.000 2.909 679 T HA 0.275 4.625 4.350 -0.001 0.000 0.286 679 T C 0.783 175.388 174.700 -0.159 0.000 1.002 679 T CA -0.977 61.080 62.100 -0.071 0.000 1.074 679 T CB 1.387 70.242 68.868 -0.022 0.000 0.984 679 T HN 0.165 nan 8.240 nan 0.000 0.495 680 V N 1.046 120.798 119.914 -0.271 0.000 2.398 680 V HA 0.337 4.457 4.120 -0.001 0.000 0.236 680 V C 1.710 177.669 176.094 -0.225 0.000 1.054 680 V CA 0.821 62.865 62.300 -0.426 0.000 1.060 680 V CB -0.879 30.406 31.823 -0.897 0.000 0.707 680 V HN 1.113 nan 8.190 nan 0.000 0.480 681 A N 2.733 125.481 122.820 -0.120 0.000 2.376 681 A HA 0.502 4.822 4.320 -0.001 0.000 0.298 681 A C 0.389 178.010 177.584 0.061 0.000 1.271 681 A CA -0.200 51.926 52.037 0.149 0.000 0.926 681 A CB -0.449 18.668 19.000 0.196 0.000 1.141 681 A HN 0.610 nan 8.150 nan 0.000 0.539 682 R N 3.068 123.630 120.500 0.103 0.000 2.732 682 R HA 0.739 5.078 4.340 -0.001 0.000 0.278 682 R C -3.053 173.219 176.300 -0.046 0.000 0.976 682 R CA -1.967 54.086 56.100 -0.079 0.000 0.963 682 R CB 1.620 31.874 30.300 -0.077 0.000 1.150 682 R HN 0.340 nan 8.270 nan 0.000 0.478 683 P HA 0.004 nan 4.420 nan 0.000 0.274 683 P C 0.826 178.188 177.300 0.103 0.000 1.237 683 P CA -0.524 62.499 63.100 -0.128 0.000 0.793 683 P CB 0.952 32.485 31.700 -0.279 0.000 0.977 684 V N 1.916 121.967 119.914 0.227 0.000 2.490 684 V HA -0.231 3.889 4.120 -0.001 0.000 0.250 684 V C 2.365 178.741 176.094 0.470 0.000 1.061 684 V CA 2.122 64.660 62.300 0.397 0.000 1.064 684 V CB -1.430 30.632 31.823 0.398 0.000 0.670 684 V HN 0.555 nan 8.190 nan 0.000 0.461 685 L N -1.967 119.494 121.223 0.397 0.000 2.275 685 L HA -0.111 4.228 4.340 -0.001 0.000 0.215 685 L C 2.311 179.442 176.870 0.435 0.000 1.119 685 L CA 1.792 56.884 54.840 0.420 0.000 0.790 685 L CB -1.210 41.020 42.059 0.286 0.000 0.919 685 L HN 0.336 nan 8.230 nan 0.000 0.443 686 H N 0.022 119.206 119.070 0.190 0.000 2.421 686 H HA -0.055 4.501 4.556 -0.001 0.000 0.298 686 H C 1.519 176.965 175.328 0.196 0.000 1.087 686 H CA 1.347 57.493 56.048 0.165 0.000 1.330 686 H CB 0.433 30.249 29.762 0.089 0.000 1.388 686 H HN 0.519 nan 8.280 nan 0.000 0.526 687 E N 0.063 120.355 120.200 0.153 0.000 2.290 687 E HA 0.022 4.371 4.350 -0.001 0.000 0.197 687 E C 0.079 176.299 176.600 -0.634 0.000 0.948 687 E CA 0.337 56.551 56.400 -0.309 0.000 0.895 687 E CB 0.380 29.683 29.700 -0.662 0.000 0.865 687 E HN 0.315 nan 8.360 nan 0.000 0.486 688 F N 0.886 120.899 119.950 0.105 0.000 2.831 688 F HA 0.153 4.680 4.527 -0.001 0.000 0.355 688 F C 0.749 176.600 175.800 0.085 0.000 1.341 688 F CA -0.845 57.172 58.000 0.029 0.000 1.201 688 F CB -0.345 38.775 39.000 0.201 0.000 1.058 688 F HN -0.032 nan 8.300 nan 0.000 0.514 689 Y N -1.243 119.266 120.300 0.349 0.000 2.439 689 Y HA 0.012 4.561 4.550 -0.001 0.000 0.292 689 Y C 1.407 177.583 175.900 0.460 0.000 1.130 689 Y CA 0.464 58.818 58.100 0.424 0.000 1.254 689 Y CB -0.919 37.670 38.460 0.215 0.000 1.000 689 Y HN 0.084 nan 8.280 nan 0.000 0.554 690 E N 0.368 120.675 120.200 0.178 0.000 2.401 690 E HA -0.112 4.238 4.350 -0.001 0.000 0.199 690 E C -0.063 176.622 176.600 0.143 0.000 1.023 690 E CA 1.148 57.668 56.400 0.201 0.000 0.859 690 E CB -0.152 29.593 29.700 0.075 0.000 0.780 690 E HN 0.368 nan 8.360 nan 0.000 0.523 691 D N -0.189 120.302 120.400 0.152 0.000 2.349 691 D HA 0.046 4.686 4.640 -0.001 0.000 0.232 691 D C 0.618 176.797 176.300 -0.202 0.000 1.071 691 D CA -0.214 53.805 54.000 0.031 0.000 0.832 691 D CB 1.167 42.062 40.800 0.158 0.000 1.086 691 D HN 0.015 nan 8.370 nan 0.000 0.504 692 T N 1.060 115.286 114.554 -0.547 0.000 3.098 692 T HA -0.078 4.271 4.350 -0.001 0.000 0.266 692 T C 1.173 175.485 174.700 -0.646 0.000 1.145 692 T CA 0.429 61.810 62.100 -1.198 0.000 1.092 692 T CB 0.003 68.113 68.868 -1.263 0.000 0.908 692 T HN 0.236 nan 8.240 nan 0.000 0.526 693 N N 2.091 120.551 118.700 -0.401 0.000 2.270 693 N HA -0.057 4.683 4.740 -0.001 0.000 0.181 693 N C 2.211 177.438 175.510 -0.473 0.000 1.016 693 N CA 1.438 54.207 53.050 -0.468 0.000 0.870 693 N CB -0.318 37.759 38.487 -0.684 0.000 0.979 693 N HN 0.735 nan 8.380 nan 0.000 0.431 694 S N -0.413 115.161 115.700 -0.210 0.000 2.423 694 S HA -0.087 4.383 4.470 -0.001 0.000 0.231 694 S C 1.577 176.393 174.600 0.360 0.000 1.014 694 S CA 0.309 58.592 58.200 0.139 0.000 0.965 694 S CB -0.503 62.955 63.200 0.430 0.000 0.785 694 S HN 0.288 nan 8.310 nan 0.000 0.495 695 W N 2.675 124.008 121.300 0.055 0.000 2.364 695 W HA 0.138 4.797 4.660 -0.001 0.000 0.281 695 W C 2.138 178.841 176.519 0.306 0.000 1.219 695 W CA 0.325 57.755 57.345 0.142 0.000 1.220 695 W CB -0.713 28.694 29.460 -0.087 0.000 1.127 695 W HN 0.588 nan 8.180 nan 0.000 0.556 696 I N -2.758 118.069 120.570 0.427 0.000 4.070 696 I HA 0.238 4.407 4.170 -0.001 0.000 0.328 696 I C 0.516 176.795 176.117 0.271 0.000 1.298 696 I CA -0.119 61.390 61.300 0.350 0.000 1.173 696 I CB -0.278 37.868 38.000 0.243 0.000 1.051 696 I HN -0.357 nan 8.210 nan 0.000 0.409 697 E N 3.524 123.858 120.200 0.223 0.000 2.324 697 E HA 0.043 4.393 4.350 -0.001 0.000 0.271 697 E C -0.464 176.272 176.600 0.228 0.000 1.028 697 E CA 0.376 56.884 56.400 0.180 0.000 0.890 697 E CB 0.474 30.263 29.700 0.149 0.000 1.004 697 E HN 0.583 nan 8.360 nan 0.000 0.431 698 D N 1.077 121.588 120.400 0.186 0.000 2.704 698 D HA -0.014 4.626 4.640 -0.001 0.000 0.291 698 D C 0.063 176.440 176.300 0.129 0.000 1.610 698 D CA 0.030 54.121 54.000 0.152 0.000 0.807 698 D CB -0.525 40.405 40.800 0.217 0.000 1.233 698 D HN 0.324 nan 8.370 nan 0.000 0.445 699 T N -1.967 112.664 114.554 0.127 0.000 3.085 699 T HA 0.304 4.654 4.350 -0.001 0.000 0.264 699 T C 0.271 175.043 174.700 0.120 0.000 1.019 699 T CA -0.306 61.861 62.100 0.111 0.000 0.910 699 T CB 0.137 69.052 68.868 0.079 0.000 1.059 699 T HN 0.376 nan 8.240 nan 0.000 0.542 700 E N 0.754 121.047 120.200 0.156 0.000 2.412 700 E HA 0.652 5.002 4.350 -0.001 0.000 0.279 700 E C -1.220 175.546 176.600 0.276 0.000 0.984 700 E CA -1.406 55.090 56.400 0.160 0.000 0.788 700 E CB 1.574 31.272 29.700 -0.003 0.000 1.277 700 E HN 0.305 nan 8.360 nan 0.000 0.455 701 F N -0.806 119.143 119.950 -0.002 0.000 2.869 701 F HA 0.769 5.296 4.527 -0.001 0.000 0.325 701 F C -1.860 173.986 175.800 0.077 0.000 1.184 701 F CA -1.466 56.555 58.000 0.035 0.000 0.951 701 F CB 1.101 40.122 39.000 0.035 0.000 1.421 701 F HN 0.330 nan 8.300 nan 0.000 0.501 702 L N 0.641 121.990 121.223 0.209 0.000 2.354 702 L HA 0.413 4.753 4.340 -0.001 0.000 0.269 702 L C -1.548 175.579 176.870 0.428 0.000 1.005 702 L CA -0.584 54.367 54.840 0.185 0.000 0.819 702 L CB 1.716 43.933 42.059 0.263 0.000 1.311 702 L HN 0.541 nan 8.230 nan 0.000 0.423 703 W N 2.565 123.936 121.300 0.117 0.000 2.342 703 W HA 0.536 5.196 4.660 -0.001 0.000 0.310 703 W C 0.961 177.567 176.519 0.145 0.000 1.128 703 W CA 0.053 57.477 57.345 0.133 0.000 1.322 703 W CB 0.241 29.810 29.460 0.181 0.000 1.251 703 W HN 0.801 nan 8.180 nan 0.000 0.439 704 G N 5.769 114.686 108.800 0.195 0.000 2.594 704 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.297 704 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.297 704 G C -1.290 173.716 174.900 0.176 0.000 1.273 704 G CA 0.364 45.552 45.100 0.146 0.000 0.974 704 G HN 0.354 nan 8.290 nan 0.000 0.552 705 P HA 0.247 nan 4.420 nan 0.000 0.235 705 P C 1.264 178.438 177.300 -0.210 0.000 1.177 705 P CA 2.216 65.253 63.100 -0.105 0.000 0.785 705 P CB 0.268 31.801 31.700 -0.279 0.000 0.885 706 A N -0.765 122.023 122.820 -0.052 0.000 2.035 706 A HA 0.251 4.571 4.320 -0.001 0.000 0.208 706 A C 0.876 178.593 177.584 0.221 0.000 1.206 706 A CA 0.281 52.258 52.037 -0.099 0.000 0.773 706 A CB -0.486 18.412 19.000 -0.170 0.000 0.878 706 A HN 0.203 nan 8.150 nan 0.000 0.469 707 L N 0.510 121.936 121.223 0.339 0.000 2.296 707 L HA 0.661 5.001 4.340 -0.001 0.000 0.286 707 L C -1.018 175.952 176.870 0.166 0.000 1.023 707 L CA -0.688 54.314 54.840 0.270 0.000 0.812 707 L CB 1.658 43.864 42.059 0.246 0.000 1.223 707 L HN 0.228 nan 8.230 nan 0.000 0.421 708 L N 6.453 127.745 121.223 0.114 0.000 2.282 708 L HA 0.604 4.944 4.340 -0.001 0.000 0.288 708 L C -0.982 175.684 176.870 -0.339 0.000 1.033 708 L CA 0.103 54.870 54.840 -0.122 0.000 0.807 708 L CB 1.126 42.993 42.059 -0.320 0.000 1.209 708 L HN 0.547 nan 8.230 nan 0.000 0.423 709 I N 4.470 124.705 120.570 -0.557 0.000 2.354 709 I HA 0.348 4.517 4.170 -0.001 0.000 0.286 709 I C -0.416 175.398 176.117 -0.504 0.000 1.007 709 I CA -0.069 60.786 61.300 -0.742 0.000 1.167 709 I CB 1.591 38.855 38.000 -1.227 0.000 1.320 709 I HN 0.547 nan 8.210 nan 0.000 0.458 710 T N 7.153 121.497 114.554 -0.350 0.000 2.893 710 T HA 0.396 4.746 4.350 -0.001 0.000 0.324 710 T C -2.548 172.043 174.700 -0.182 0.000 1.082 710 T CA -1.378 60.599 62.100 -0.206 0.000 0.983 710 T CB 0.859 69.631 68.868 -0.160 0.000 1.005 710 T HN 0.282 nan 8.240 nan 0.000 0.475 711 P HA 0.423 nan 4.420 nan 0.000 0.285 711 P C -0.465 176.798 177.300 -0.061 0.000 1.269 711 P CA -0.625 62.413 63.100 -0.103 0.000 0.844 711 P CB 1.151 32.823 31.700 -0.048 0.000 1.094 712 V N 3.293 123.177 119.914 -0.049 0.000 2.488 712 V HA 0.090 4.210 4.120 -0.001 0.000 0.277 712 V C 1.367 177.508 176.094 0.079 0.000 1.046 712 V CA 0.395 62.700 62.300 0.008 0.000 0.986 712 V CB 0.215 32.053 31.823 0.024 0.000 0.989 712 V HN 0.461 nan 8.190 nan 0.000 0.475 713 L N 4.104 125.380 121.223 0.088 0.000 3.217 713 L HA 0.343 4.683 4.340 -0.001 0.000 0.288 713 L C 0.395 177.372 176.870 0.179 0.000 1.202 713 L CA -0.016 54.904 54.840 0.133 0.000 1.027 713 L CB 0.301 42.378 42.059 0.030 0.000 1.427 713 L HN 0.454 nan 8.230 nan 0.000 0.600 714 K N 1.265 121.673 120.400 0.012 0.000 2.207 714 K HA 0.315 4.635 4.320 -0.001 0.000 0.255 714 K C -0.425 175.728 176.600 -0.744 0.000 0.941 714 K CA -0.547 55.597 56.287 -0.238 0.000 0.825 714 K CB 2.063 34.458 32.500 -0.176 0.000 1.119 714 K HN -0.145 nan 8.250 nan 0.000 0.430 715 Q N 0.488 119.524 119.800 -1.272 0.000 2.300 715 Q HA 0.077 4.416 4.340 -0.001 0.000 0.280 715 Q C 0.679 176.229 176.000 -0.751 0.000 1.033 715 Q CA 1.582 56.348 55.803 -1.729 0.000 0.903 715 Q CB 0.453 28.322 28.738 -1.448 0.000 1.195 715 Q HN 0.892 nan 8.270 nan 0.000 0.386 716 G N 2.710 111.196 108.800 -0.523 0.000 2.245 716 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.264 716 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.264 716 G C 0.288 175.094 174.900 -0.157 0.000 0.985 716 G CA 0.330 45.292 45.100 -0.230 0.000 0.625 716 G HN 0.983 nan 8.290 nan 0.000 0.536 717 A N -0.088 122.615 122.820 -0.195 0.000 2.462 717 A HA 0.550 4.869 4.320 -0.001 0.000 0.243 717 A C 0.984 178.534 177.584 -0.055 0.000 1.076 717 A CA 1.224 53.195 52.037 -0.110 0.000 0.773 717 A CB 0.450 19.378 19.000 -0.118 0.000 1.010 717 A HN 0.329 nan 8.150 nan 0.000 0.493 718 D N -0.536 119.851 120.400 -0.021 0.000 2.479 718 D HA 0.178 4.818 4.640 -0.001 0.000 0.221 718 D C 0.075 176.373 176.300 -0.004 0.000 1.104 718 D CA 0.938 54.942 54.000 0.006 0.000 0.849 718 D CB 0.605 41.469 40.800 0.108 0.000 1.072 718 D HN 0.465 nan 8.370 nan 0.000 0.502 719 T N -0.510 114.053 114.554 0.014 0.000 2.900 719 T HA 0.556 4.906 4.350 -0.001 0.000 0.303 719 T C -1.913 172.776 174.700 -0.018 0.000 1.142 719 T CA -0.625 61.496 62.100 0.036 0.000 1.007 719 T CB 1.878 70.802 68.868 0.093 0.000 1.156 719 T HN -0.222 nan 8.240 nan 0.000 0.490 720 V N 2.464 122.358 119.914 -0.034 0.000 2.733 720 V HA 0.738 4.858 4.120 -0.001 0.000 0.306 720 V C -0.352 175.695 176.094 -0.079 0.000 1.084 720 V CA -0.530 61.737 62.300 -0.054 0.000 0.905 720 V CB 2.143 33.930 31.823 -0.059 0.000 1.010 720 V HN 0.862 nan 8.190 nan 0.000 0.424 721 S N 5.466 121.125 115.700 -0.068 0.000 2.430 721 S HA 0.719 5.189 4.470 -0.001 0.000 0.282 721 S C 0.053 174.598 174.600 -0.091 0.000 1.186 721 S CA 0.290 58.440 58.200 -0.084 0.000 1.060 721 S CB -0.168 63.000 63.200 -0.053 0.000 0.966 721 S HN 1.666 nan 8.310 nan 0.000 0.501 722 A N 5.012 127.738 122.820 -0.156 0.000 2.355 722 A HA 0.558 4.878 4.320 -0.001 0.000 0.317 722 A C -1.156 176.328 177.584 -0.167 0.000 1.094 722 A CA -0.672 51.267 52.037 -0.162 0.000 0.764 722 A CB 0.752 19.605 19.000 -0.244 0.000 1.230 722 A HN 0.905 nan 8.150 nan 0.000 0.448 723 Y N 3.619 123.798 120.300 -0.203 0.000 2.504 723 Y HA 0.493 5.043 4.550 -0.001 0.000 0.351 723 Y C -0.146 175.584 175.900 -0.283 0.000 0.988 723 Y CA -1.075 56.904 58.100 -0.202 0.000 1.239 723 Y CB 0.407 38.800 38.460 -0.113 0.000 1.128 723 Y HN 0.651 nan 8.280 nan 0.000 0.525 724 I N 8.522 128.583 120.570 -0.850 0.000 2.315 724 I HA 0.619 4.789 4.170 -0.001 0.000 0.291 724 I C -2.878 172.625 176.117 -1.024 0.000 1.006 724 I CA -2.712 58.046 61.300 -0.904 0.000 1.265 724 I CB 1.153 38.721 38.000 -0.721 0.000 1.387 724 I HN 0.358 nan 8.210 nan 0.000 0.475 725 P HA 0.142 nan 4.420 nan 0.000 0.286 725 P C -0.901 176.230 177.300 -0.281 0.000 1.293 725 P CA -0.211 62.429 63.100 -0.767 0.000 0.770 725 P CB 0.387 31.370 31.700 -1.195 0.000 1.206 726 D N -0.649 119.605 120.400 -0.243 0.000 2.608 726 D HA 0.440 5.079 4.640 -0.001 0.000 0.224 726 D C -0.653 175.677 176.300 0.050 0.000 1.123 726 D CA 0.102 54.097 54.000 -0.008 0.000 1.030 726 D CB -1.237 39.614 40.800 0.084 0.000 1.093 726 D HN 0.367 nan 8.370 nan 0.000 0.497 727 A N 1.912 124.716 122.820 -0.027 0.000 2.568 727 A HA 0.586 4.906 4.320 -0.001 0.000 0.291 727 A C -0.882 176.461 177.584 -0.402 0.000 1.159 727 A CA -0.753 51.151 52.037 -0.221 0.000 0.679 727 A CB 0.797 19.570 19.000 -0.379 0.000 1.285 727 A HN 0.255 nan 8.150 nan 0.000 0.428 728 I N 0.513 120.800 120.570 -0.472 0.000 2.342 728 I HA 0.302 4.471 4.170 -0.001 0.000 0.291 728 I C -1.102 174.612 176.117 -0.673 0.000 1.010 728 I CA 0.114 61.150 61.300 -0.439 0.000 1.308 728 I CB 0.746 38.563 38.000 -0.305 0.000 1.400 728 I HN 0.614 nan 8.210 nan 0.000 0.488 729 W N 5.625 126.753 121.300 -0.288 0.000 2.666 729 W HA 0.527 5.187 4.660 -0.001 0.000 0.334 729 W C -0.933 175.368 176.519 -0.363 0.000 1.051 729 W CA -0.511 56.717 57.345 -0.195 0.000 1.224 729 W CB 1.091 30.478 29.460 -0.121 0.000 1.405 729 W HN 0.220 nan 8.180 nan 0.000 0.513 730 Y N 0.906 121.421 120.300 0.359 0.000 2.446 730 Y HA 0.215 4.764 4.550 -0.001 0.000 0.345 730 Y C 0.056 176.134 175.900 0.297 0.000 0.984 730 Y CA -1.231 57.002 58.100 0.223 0.000 1.058 730 Y CB 1.404 39.929 38.460 0.109 0.000 1.220 730 Y HN 0.315 nan 8.280 nan 0.000 0.455 731 D N 1.230 121.824 120.400 0.325 0.000 2.417 731 D HA -0.086 4.554 4.640 -0.001 0.000 0.250 731 D C 0.623 176.977 176.300 0.090 0.000 1.166 731 D CA 0.431 54.502 54.000 0.117 0.000 0.881 731 D CB 0.515 41.345 40.800 0.049 0.000 1.164 731 D HN 0.567 nan 8.370 nan 0.000 0.467 732 Y N 3.401 123.666 120.300 -0.060 0.000 2.145 732 Y HA -0.159 4.390 4.550 -0.001 0.000 0.286 732 Y C 1.828 177.722 175.900 -0.009 0.000 1.145 732 Y CA 1.796 59.888 58.100 -0.013 0.000 1.148 732 Y CB 0.108 38.550 38.460 -0.030 0.000 0.981 732 Y HN 0.591 nan 8.280 nan 0.000 0.507 733 E N -0.456 119.779 120.200 0.058 0.000 2.028 733 E HA -0.187 4.162 4.350 -0.001 0.000 0.191 733 E C 2.438 178.982 176.600 -0.093 0.000 0.988 733 E CA 1.909 58.304 56.400 -0.010 0.000 0.799 733 E CB -0.224 29.520 29.700 0.074 0.000 0.755 733 E HN 0.552 nan 8.360 nan 0.000 0.447 734 S N -1.387 114.281 115.700 -0.054 0.000 2.395 734 S HA 0.057 4.526 4.470 -0.001 0.000 0.225 734 S C 1.789 176.341 174.600 -0.081 0.000 1.027 734 S CA 0.882 59.047 58.200 -0.058 0.000 0.965 734 S CB 0.331 63.515 63.200 -0.028 0.000 0.812 734 S HN 0.443 nan 8.310 nan 0.000 0.482 735 G N 0.928 109.691 108.800 -0.062 0.000 2.175 735 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.244 735 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.244 735 G C 0.210 175.149 174.900 0.065 0.000 0.982 735 G CA 0.025 45.093 45.100 -0.055 0.000 0.641 735 G HN 1.333 nan 8.290 nan 0.000 0.527 736 A N 0.482 123.342 122.820 0.067 0.000 2.450 736 A HA 0.566 4.886 4.320 -0.001 0.000 0.255 736 A C 0.753 178.414 177.584 0.128 0.000 1.096 736 A CA 0.545 52.626 52.037 0.072 0.000 0.778 736 A CB 0.377 19.373 19.000 -0.008 0.000 1.031 736 A HN 0.585 nan 8.150 nan 0.000 0.494 737 K N 2.351 122.817 120.400 0.110 0.000 2.402 737 K HA 0.078 4.398 4.320 -0.001 0.000 0.285 737 K C -0.217 176.254 176.600 -0.215 0.000 1.054 737 K CA -0.201 56.004 56.287 -0.137 0.000 1.001 737 K CB 0.166 32.577 32.500 -0.148 0.000 0.946 737 K HN 0.631 nan 8.250 nan 0.000 0.473 738 R N 4.493 124.824 120.500 -0.281 0.000 2.491 738 R HA 0.074 4.414 4.340 -0.001 0.000 0.283 738 R C -1.783 174.248 176.300 -0.448 0.000 1.072 738 R CA -1.717 54.083 56.100 -0.500 0.000 1.048 738 R CB 0.478 30.420 30.300 -0.598 0.000 0.983 738 R HN 0.502 nan 8.270 nan 0.000 0.450 739 P HA 0.045 nan 4.420 nan 0.000 0.249 739 P C -0.939 176.292 177.300 -0.115 0.000 1.593 739 P CA 0.133 63.063 63.100 -0.283 0.000 0.896 739 P CB 0.233 31.794 31.700 -0.230 0.000 1.581 740 W N 0.855 122.122 121.300 -0.055 0.000 2.606 740 W HA 0.617 5.277 4.660 -0.001 0.000 0.332 740 W C 0.418 176.914 176.519 -0.038 0.000 1.052 740 W CA -0.759 56.541 57.345 -0.075 0.000 1.223 740 W CB 1.574 30.947 29.460 -0.146 0.000 1.383 740 W HN -0.056 nan 8.180 nan 0.000 0.524 741 R N 2.252 122.856 120.500 0.174 0.000 2.647 741 R HA 0.125 4.465 4.340 -0.001 0.000 0.260 741 R C -0.289 176.013 176.300 0.003 0.000 1.154 741 R CA -0.788 55.364 56.100 0.087 0.000 1.029 741 R CB 0.984 31.321 30.300 0.061 0.000 1.262 741 R HN 0.540 nan 8.270 nan 0.000 0.437 742 K N 3.284 123.643 120.400 -0.069 0.000 3.730 742 K HA -0.257 4.063 4.320 -0.001 0.000 0.276 742 K C -1.382 175.189 176.600 -0.047 0.000 0.904 742 K CA 1.886 58.124 56.287 -0.082 0.000 0.741 742 K CB -0.611 31.897 32.500 0.014 0.000 1.542 742 K HN 0.761 nan 8.250 nan 0.000 0.446 743 Q N -0.213 119.493 119.800 -0.157 0.000 2.687 743 Q HA 0.339 4.679 4.340 -0.001 0.000 0.295 743 Q C -1.473 174.438 176.000 -0.147 0.000 0.920 743 Q CA -1.316 54.442 55.803 -0.074 0.000 0.766 743 Q CB 0.981 29.680 28.738 -0.064 0.000 1.467 743 Q HN 0.271 nan 8.270 nan 0.000 0.415 744 R N 0.967 121.431 120.500 -0.060 0.000 2.312 744 R HA 0.635 4.975 4.340 -0.001 0.000 0.311 744 R C -0.510 175.651 176.300 -0.231 0.000 1.004 744 R CA -0.261 55.779 56.100 -0.099 0.000 0.902 744 R CB 1.437 31.732 30.300 -0.007 0.000 1.073 744 R HN 0.574 nan 8.270 nan 0.000 0.457 745 V N -0.185 119.506 119.914 -0.371 0.000 3.102 745 V HA 0.503 4.623 4.120 -0.001 0.000 0.312 745 V C -1.066 174.821 176.094 -0.344 0.000 1.135 745 V CA -1.060 60.960 62.300 -0.466 0.000 1.022 745 V CB 2.328 33.551 31.823 -1.000 0.000 1.056 745 V HN 0.646 nan 8.190 nan 0.000 0.436 746 D N 3.209 123.462 120.400 -0.245 0.000 2.500 746 D HA 0.331 4.971 4.640 -0.001 0.000 0.219 746 D C -0.076 176.163 176.300 -0.103 0.000 1.137 746 D CA 0.248 54.166 54.000 -0.136 0.000 0.946 746 D CB 1.011 41.778 40.800 -0.056 0.000 1.022 746 D HN 0.712 nan 8.370 nan 0.000 0.518 747 M N 2.554 122.059 119.600 -0.158 0.000 2.217 747 M HA 0.045 4.525 4.480 -0.001 0.000 0.352 747 M C -0.746 175.607 176.300 0.089 0.000 1.376 747 M CA -0.442 54.819 55.300 -0.065 0.000 1.107 747 M CB 0.464 32.983 32.600 -0.135 0.000 1.723 747 M HN 0.259 nan 8.290 nan 0.000 0.461 748 Y N 6.859 127.199 120.300 0.067 0.000 2.452 748 Y HA 0.413 4.963 4.550 -0.001 0.000 0.348 748 Y C -1.448 174.486 175.900 0.057 0.000 0.985 748 Y CA -0.389 57.743 58.100 0.055 0.000 1.214 748 Y CB 0.253 38.754 38.460 0.068 0.000 1.136 748 Y HN 0.580 nan 8.280 nan 0.000 0.523 749 L N 10.344 131.281 121.223 -0.476 0.000 2.417 749 L HA 0.384 4.724 4.340 -0.001 0.000 0.259 749 L C -2.256 174.309 176.870 -0.508 0.000 1.023 749 L CA -2.015 52.572 54.840 -0.422 0.000 0.901 749 L CB 1.239 43.183 42.059 -0.191 0.000 1.227 749 L HN 0.513 nan 8.230 nan 0.000 0.454 750 P HA 0.029 nan 4.420 nan 0.000 0.280 750 P C 0.755 177.969 177.300 -0.143 0.000 1.278 750 P CA -0.291 62.590 63.100 -0.364 0.000 0.787 750 P CB 1.043 32.593 31.700 -0.251 0.000 1.163 751 A N 0.376 123.164 122.820 -0.053 0.000 2.186 751 A HA -0.173 4.147 4.320 -0.001 0.000 0.219 751 A C 1.337 178.929 177.584 0.013 0.000 1.159 751 A CA 1.999 54.033 52.037 -0.005 0.000 0.680 751 A CB -1.173 17.838 19.000 0.020 0.000 0.787 751 A HN 0.702 nan 8.150 nan 0.000 0.467 752 D N -2.538 117.873 120.400 0.018 0.000 2.500 752 D HA 0.266 4.906 4.640 -0.001 0.000 0.217 752 D C 0.538 176.936 176.300 0.164 0.000 1.159 752 D CA 0.762 54.809 54.000 0.079 0.000 0.828 752 D CB -0.362 40.474 40.800 0.060 0.000 1.039 752 D HN 0.354 nan 8.370 nan 0.000 0.512 753 K N 0.780 121.222 120.400 0.069 0.000 2.208 753 K HA 0.743 5.063 4.320 -0.001 0.000 0.247 753 K C -0.810 175.737 176.600 -0.088 0.000 0.953 753 K CA -0.829 55.510 56.287 0.087 0.000 0.837 753 K CB 2.043 34.550 32.500 0.012 0.000 1.131 753 K HN 0.257 nan 8.250 nan 0.000 0.431 754 I N 0.512 120.955 120.570 -0.211 0.000 2.686 754 I HA 0.598 4.767 4.170 -0.001 0.000 0.295 754 I C 0.511 176.454 176.117 -0.290 0.000 1.114 754 I CA -0.951 60.149 61.300 -0.334 0.000 1.038 754 I CB 2.118 39.791 38.000 -0.545 0.000 1.238 754 I HN 0.800 nan 8.210 nan 0.000 0.420 755 G N 7.831 116.487 108.800 -0.240 0.000 2.272 755 G HA2 0.340 4.300 3.960 -0.001 0.000 0.274 755 G HA3 0.340 4.300 3.960 -0.001 0.000 0.274 755 G C -0.783 173.911 174.900 -0.343 0.000 1.136 755 G CA -0.052 44.928 45.100 -0.200 0.000 1.098 755 G HN 0.498 nan 8.290 nan 0.000 0.425 756 L N 3.249 124.214 121.223 -0.430 0.000 2.372 756 L HA 0.426 4.766 4.340 -0.001 0.000 0.274 756 L C -0.709 175.894 176.870 -0.445 0.000 0.988 756 L CA -0.841 53.746 54.840 -0.421 0.000 0.833 756 L CB 1.905 43.755 42.059 -0.348 0.000 1.236 756 L HN 0.589 nan 8.230 nan 0.000 0.410 757 H N 2.902 121.976 119.070 0.007 0.000 2.679 757 H HA 0.560 5.115 4.556 -0.001 0.000 0.360 757 H C -0.942 174.618 175.328 0.386 0.000 1.105 757 H CA -0.495 55.680 56.048 0.212 0.000 1.196 757 H CB 2.409 32.262 29.762 0.152 0.000 1.636 757 H HN 0.380 nan 8.280 nan 0.000 0.531 758 L N 2.394 123.967 121.223 0.584 0.000 2.309 758 L HA 0.433 4.773 4.340 -0.001 0.000 0.282 758 L C 0.237 177.429 176.870 0.537 0.000 1.036 758 L CA -0.601 54.537 54.840 0.497 0.000 0.806 758 L CB 1.137 43.408 42.059 0.353 0.000 1.220 758 L HN 0.462 nan 8.230 nan 0.000 0.429 759 R N 2.487 123.165 120.500 0.298 0.000 2.254 759 R HA 0.361 4.700 4.340 -0.001 0.000 0.318 759 R C 0.079 176.467 176.300 0.147 0.000 1.031 759 R CA -0.499 55.499 56.100 -0.170 0.000 0.905 759 R CB 1.104 31.193 30.300 -0.352 0.000 1.050 759 R HN 0.777 nan 8.270 nan 0.000 0.456 760 G N 1.377 110.217 108.800 0.067 0.000 2.391 760 G HA2 0.284 4.244 3.960 -0.001 0.000 0.234 760 G HA3 0.284 4.244 3.960 -0.001 0.000 0.234 760 G C 0.843 175.794 174.900 0.084 0.000 1.284 760 G CA 0.348 45.565 45.100 0.195 0.000 0.873 760 G HN 1.003 nan 8.290 nan 0.000 0.549 761 G N -0.077 108.721 108.800 -0.002 0.000 2.179 761 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.220 761 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.220 761 G C -0.044 174.522 174.900 -0.556 0.000 0.990 761 G CA 0.398 45.332 45.100 -0.277 0.000 0.646 761 G HN 0.852 nan 8.290 nan 0.000 0.517 762 Y N -0.492 119.837 120.300 0.049 0.000 2.462 762 Y HA 0.739 5.289 4.550 -0.001 0.000 0.346 762 Y C 0.334 176.255 175.900 0.034 0.000 0.976 762 Y CA -1.167 56.969 58.100 0.060 0.000 1.044 762 Y CB 1.686 40.184 38.460 0.063 0.000 1.230 762 Y HN 0.080 nan 8.280 nan 0.000 0.455 763 I N 5.088 125.801 120.570 0.239 0.000 2.382 763 I HA 0.439 4.609 4.170 -0.001 0.000 0.286 763 I C -0.787 175.437 176.117 0.178 0.000 1.002 763 I CA -0.656 60.732 61.300 0.146 0.000 1.135 763 I CB 1.011 39.120 38.000 0.182 0.000 1.288 763 I HN 0.440 nan 8.210 nan 0.000 0.448 764 I N 5.476 126.056 120.570 0.017 0.000 2.404 764 I HA 0.671 4.841 4.170 -0.001 0.000 0.293 764 I C -2.679 173.462 176.117 0.039 0.000 0.992 764 I CA -2.327 58.950 61.300 -0.038 0.000 1.149 764 I CB 1.755 39.475 38.000 -0.468 0.000 1.315 764 I HN 0.220 nan 8.210 nan 0.000 0.446 765 P HA 0.426 nan 4.420 nan 0.000 0.286 765 P C -0.816 176.620 177.300 0.227 0.000 1.269 765 P CA -0.146 63.032 63.100 0.129 0.000 0.787 765 P CB 1.447 33.256 31.700 0.182 0.000 0.920 766 I N -0.660 119.988 120.570 0.130 0.000 3.206 766 I HA 0.732 4.902 4.170 -0.001 0.000 0.313 766 I C -0.897 175.304 176.117 0.141 0.000 1.103 766 I CA -1.328 60.092 61.300 0.201 0.000 0.985 766 I CB 2.546 40.654 38.000 0.180 0.000 1.240 766 I HN 0.253 nan 8.210 nan 0.000 0.464 767 Q N 1.610 121.522 119.800 0.187 0.000 2.281 767 Q HA 0.310 4.649 4.340 -0.001 0.000 0.263 767 Q C -1.474 174.619 176.000 0.155 0.000 0.989 767 Q CA -0.593 55.289 55.803 0.133 0.000 0.852 767 Q CB 2.227 31.069 28.738 0.173 0.000 1.337 767 Q HN 0.759 nan 8.270 nan 0.000 0.418 768 E N 5.148 125.405 120.200 0.096 0.000 2.694 768 E HA -0.009 4.341 4.350 -0.001 0.000 0.250 768 E C -2.082 174.596 176.600 0.130 0.000 0.963 768 E CA -0.636 55.821 56.400 0.094 0.000 0.949 768 E CB 0.398 30.128 29.700 0.050 0.000 0.911 768 E HN 0.340 nan 8.360 nan 0.000 0.500 769 P HA 0.082 nan 4.420 nan 0.000 0.274 769 P C -0.557 176.810 177.300 0.112 0.000 1.246 769 P CA -0.023 63.184 63.100 0.178 0.000 0.795 769 P CB 1.058 32.852 31.700 0.157 0.000 1.006 770 D N -1.208 119.252 120.400 0.100 0.000 2.921 770 D HA 0.125 4.765 4.640 -0.001 0.000 0.329 770 D C 0.654 176.888 176.300 -0.109 0.000 1.293 770 D CA -0.339 53.675 54.000 0.023 0.000 0.964 770 D CB 1.578 42.417 40.800 0.066 0.000 1.435 770 D HN 0.105 nan 8.370 nan 0.000 0.548 771 V N -1.591 118.265 119.914 -0.096 0.000 3.608 771 V HA 0.288 4.408 4.120 -0.001 0.000 0.269 771 V C 0.734 176.749 176.094 -0.130 0.000 1.245 771 V CA 1.119 63.315 62.300 -0.173 0.000 1.138 771 V CB -0.317 31.463 31.823 -0.072 0.000 0.841 771 V HN 0.553 nan 8.190 nan 0.000 0.451 772 T N -3.438 111.125 114.554 0.014 0.000 2.901 772 T HA 0.424 4.773 4.350 -0.001 0.000 0.293 772 T C 0.918 175.817 174.700 0.332 0.000 1.084 772 T CA 0.379 62.572 62.100 0.155 0.000 1.008 772 T CB 1.608 70.505 68.868 0.048 0.000 1.170 772 T HN 0.392 nan 8.240 nan 0.000 0.509 773 T N -1.318 113.477 114.554 0.401 0.000 2.904 773 T HA -0.058 4.291 4.350 -0.001 0.000 0.267 773 T C 1.886 176.737 174.700 0.252 0.000 1.059 773 T CA 1.645 63.991 62.100 0.410 0.000 1.137 773 T CB -1.325 67.826 68.868 0.472 0.000 0.879 773 T HN 0.689 nan 8.240 nan 0.000 0.467 774 T N 2.556 117.209 114.554 0.165 0.000 2.624 774 T HA -0.101 4.248 4.350 -0.001 0.000 0.268 774 T C 2.430 177.179 174.700 0.082 0.000 1.041 774 T CA 1.768 63.919 62.100 0.083 0.000 1.159 774 T CB -0.938 67.949 68.868 0.032 0.000 0.863 774 T HN 0.632 nan 8.240 nan 0.000 0.434 775 A N 1.673 124.547 122.820 0.090 0.000 1.872 775 A HA -0.049 4.270 4.320 -0.001 0.000 0.214 775 A C 2.628 180.277 177.584 0.108 0.000 1.187 775 A CA 2.055 54.138 52.037 0.076 0.000 0.614 775 A CB -0.961 18.072 19.000 0.055 0.000 0.826 775 A HN 0.603 nan 8.150 nan 0.000 0.442 776 S N -0.100 115.702 115.700 0.170 0.000 2.399 776 S HA -0.194 4.276 4.470 -0.001 0.000 0.231 776 S C 1.952 176.669 174.600 0.195 0.000 1.022 776 S CA 1.339 59.665 58.200 0.209 0.000 0.983 776 S CB -0.491 62.912 63.200 0.338 0.000 0.803 776 S HN 0.566 nan 8.310 nan 0.000 0.480 777 R N 1.666 122.275 120.500 0.181 0.000 2.189 777 R HA 0.043 4.383 4.340 -0.001 0.000 0.223 777 R C 1.817 178.222 176.300 0.176 0.000 1.092 777 R CA 1.398 57.611 56.100 0.189 0.000 0.989 777 R CB -0.117 30.212 30.300 0.049 0.000 0.876 777 R HN 0.673 nan 8.270 nan 0.000 0.457 778 K N -0.404 120.060 120.400 0.107 0.000 2.374 778 K HA 0.136 4.456 4.320 -0.001 0.000 0.196 778 K C -0.004 176.612 176.600 0.027 0.000 1.023 778 K CA -0.177 56.148 56.287 0.064 0.000 1.103 778 K CB 0.279 32.807 32.500 0.047 0.000 0.848 778 K HN -0.020 nan 8.250 nan 0.000 0.528 779 N N 3.040 121.763 118.700 0.038 0.000 2.503 779 N HA 0.160 4.899 4.740 -0.001 0.000 0.267 779 N C -2.496 172.992 175.510 -0.036 0.000 1.214 779 N CA -1.833 51.225 53.050 0.014 0.000 0.959 779 N CB 0.262 38.776 38.487 0.046 0.000 1.142 779 N HN -0.011 nan 8.380 nan 0.000 0.455 780 P HA -0.013 nan 4.420 nan 0.000 0.265 780 P C -0.022 177.212 177.300 -0.109 0.000 1.187 780 P CA 0.292 63.335 63.100 -0.095 0.000 0.766 780 P CB 0.653 32.316 31.700 -0.062 0.000 0.820 781 L N 1.573 122.675 121.223 -0.201 0.000 2.569 781 L HA 0.822 5.162 4.340 -0.001 0.000 0.247 781 L C 1.272 178.122 176.870 -0.032 0.000 1.135 781 L CA 0.034 54.758 54.840 -0.193 0.000 0.812 781 L CB 0.714 42.462 42.059 -0.517 0.000 1.431 781 L HN 0.569 nan 8.230 nan 0.000 0.499 782 G N -0.435 108.408 108.800 0.071 0.000 2.547 782 G HA2 0.572 4.532 3.960 -0.001 0.000 0.291 782 G HA3 0.572 4.532 3.960 -0.001 0.000 0.291 782 G C -2.056 172.778 174.900 -0.109 0.000 1.471 782 G CA -0.653 44.456 45.100 0.015 0.000 0.798 782 G HN 0.343 nan 8.290 nan 0.000 0.504 783 L N 0.127 121.189 121.223 -0.268 0.000 2.370 783 L HA 0.654 4.994 4.340 -0.001 0.000 0.266 783 L C -0.591 176.121 176.870 -0.263 0.000 1.002 783 L CA -0.947 53.663 54.840 -0.383 0.000 0.818 783 L CB 2.449 44.097 42.059 -0.686 0.000 1.325 783 L HN 0.351 nan 8.230 nan 0.000 0.418 784 I N 2.585 123.030 120.570 -0.208 0.000 2.389 784 I HA 0.341 4.511 4.170 -0.001 0.000 0.288 784 I C -0.693 175.319 176.117 -0.175 0.000 0.999 784 I CA -0.760 60.431 61.300 -0.181 0.000 1.129 784 I CB 2.188 40.119 38.000 -0.114 0.000 1.288 784 I HN 0.172 nan 8.210 nan 0.000 0.444 785 V N 6.060 125.845 119.914 -0.215 0.000 2.311 785 V HA 0.443 4.563 4.120 -0.001 0.000 0.275 785 V C 0.491 176.455 176.094 -0.218 0.000 1.022 785 V CA -0.541 61.654 62.300 -0.174 0.000 0.830 785 V CB 1.272 32.985 31.823 -0.184 0.000 1.012 785 V HN 0.814 nan 8.190 nan 0.000 0.452 786 A N 6.829 129.557 122.820 -0.152 0.000 2.316 786 A HA 0.649 4.969 4.320 -0.001 0.000 0.311 786 A C -0.087 177.470 177.584 -0.045 0.000 1.339 786 A CA -0.359 51.538 52.037 -0.234 0.000 0.960 786 A CB -0.029 18.958 19.000 -0.023 0.000 1.152 786 A HN 0.825 nan 8.150 nan 0.000 0.547 787 L N 2.114 123.297 121.223 -0.067 0.000 2.461 787 L HA 0.403 4.743 4.340 -0.001 0.000 0.272 787 L C 0.997 177.969 176.870 0.170 0.000 1.197 787 L CA 0.153 55.036 54.840 0.071 0.000 0.836 787 L CB 0.906 43.014 42.059 0.080 0.000 1.105 787 L HN 0.735 nan 8.230 nan 0.000 0.477 788 G N 0.959 109.808 108.800 0.082 0.000 2.702 788 G HA2 0.404 4.363 3.960 -0.001 0.000 0.295 788 G HA3 0.404 4.363 3.960 -0.001 0.000 0.295 788 G C 0.000 174.911 174.900 0.018 0.000 1.446 788 G CA -0.181 44.945 45.100 0.044 0.000 0.983 788 G HN 0.852 nan 8.290 nan 0.000 0.520 789 E N 1.137 121.346 120.200 0.016 0.000 4.115 789 E HA -0.358 3.992 4.350 -0.001 0.000 0.209 789 E C 1.155 177.764 176.600 0.014 0.000 1.290 789 E CA 2.329 58.733 56.400 0.007 0.000 2.168 789 E CB -0.469 29.228 29.700 -0.006 0.000 1.888 789 E HN 0.514 nan 8.360 nan 0.000 0.272 790 N N 1.760 120.464 118.700 0.007 0.000 2.485 790 N HA 0.002 4.742 4.740 -0.001 0.000 0.199 790 N C -0.368 175.150 175.510 0.013 0.000 1.236 790 N CA 0.868 53.923 53.050 0.007 0.000 0.852 790 N CB -0.190 38.296 38.487 -0.001 0.000 1.018 790 N HN 0.315 nan 8.380 nan 0.000 0.457 791 N N -0.620 118.098 118.700 0.029 0.000 2.735 791 N HA -0.145 4.595 4.740 -0.001 0.000 0.248 791 N C -1.034 174.499 175.510 0.040 0.000 1.083 791 N CA 1.058 54.136 53.050 0.048 0.000 0.703 791 N CB -1.389 37.127 38.487 0.048 0.000 1.005 791 N HN 0.182 nan 8.380 nan 0.000 0.550 792 T N -0.826 113.739 114.554 0.018 0.000 2.942 792 T HA 0.940 5.290 4.350 -0.001 0.000 0.289 792 T C -0.143 174.547 174.700 -0.017 0.000 1.044 792 T CA -0.083 62.018 62.100 0.002 0.000 1.023 792 T CB 2.371 71.226 68.868 -0.021 0.000 1.123 792 T HN 0.361 nan 8.240 nan 0.000 0.512 793 A N 1.642 124.451 122.820 -0.019 0.000 2.594 793 A HA 0.738 5.058 4.320 -0.001 0.000 0.296 793 A C -1.544 176.032 177.584 -0.013 0.000 1.061 793 A CA -0.918 51.088 52.037 -0.053 0.000 0.689 793 A CB 1.488 20.487 19.000 -0.002 0.000 1.280 793 A HN 0.524 nan 8.150 nan 0.000 0.406 794 K N 0.049 120.422 120.400 -0.046 0.000 2.443 794 K HA 0.835 5.155 4.320 -0.001 0.000 0.251 794 K C -0.318 176.397 176.600 0.191 0.000 0.972 794 K CA -0.262 56.063 56.287 0.062 0.000 0.833 794 K CB 2.653 35.159 32.500 0.010 0.000 1.317 794 K HN 1.522 nan 8.250 nan 0.000 0.441 795 G N -0.697 108.267 108.800 0.274 0.000 2.523 795 G HA2 0.541 4.501 3.960 -0.001 0.000 0.291 795 G HA3 0.541 4.501 3.960 -0.001 0.000 0.291 795 G C -1.837 173.192 174.900 0.214 0.000 1.450 795 G CA -0.180 45.148 45.100 0.380 0.000 0.790 795 G HN 0.659 nan 8.290 nan 0.000 0.496 796 D N -1.700 118.859 120.400 0.266 0.000 2.559 796 D HA 0.839 5.478 4.640 -0.001 0.000 0.250 796 D C -1.478 175.075 176.300 0.422 0.000 1.135 796 D CA -0.733 53.342 54.000 0.125 0.000 0.955 796 D CB 2.798 43.736 40.800 0.231 0.000 1.442 796 D HN 1.294 nan 8.370 nan 0.000 0.471 797 F N 0.545 120.627 119.950 0.221 0.000 2.623 797 F HA 0.626 5.153 4.527 -0.001 0.000 0.323 797 F C -2.266 173.819 175.800 0.474 0.000 1.158 797 F CA -1.863 56.422 58.000 0.473 0.000 1.030 797 F CB 1.636 41.030 39.000 0.656 0.000 1.280 797 F HN 0.546 nan 8.300 nan 0.000 0.474 798 F N 7.249 127.085 119.950 -0.189 0.000 2.520 798 F HA 0.675 5.202 4.527 -0.001 0.000 0.322 798 F C -2.058 173.582 175.800 -0.268 0.000 1.103 798 F CA -0.704 57.074 58.000 -0.371 0.000 0.926 798 F CB 1.482 40.105 39.000 -0.628 0.000 1.154 798 F HN 0.594 nan 8.300 nan 0.000 0.453 799 W N 8.553 129.150 121.300 -1.172 0.000 3.211 799 W HA 0.313 4.972 4.660 -0.001 0.000 0.335 799 W C -1.888 174.168 176.519 -0.772 0.000 1.113 799 W CA -0.558 56.355 57.345 -0.719 0.000 1.235 799 W CB 2.008 31.189 29.460 -0.465 0.000 1.365 799 W HN 0.790 nan 8.180 nan 0.000 0.476 800 D N 1.566 121.334 120.400 -1.053 0.000 2.958 800 D HA 0.115 4.754 4.640 -0.001 0.000 0.306 800 D C 0.599 176.142 176.300 -1.261 0.000 1.226 800 D CA -0.220 53.114 54.000 -1.110 0.000 1.032 800 D CB 0.100 40.539 40.800 -0.600 0.000 1.400 800 D HN 0.359 nan 8.370 nan 0.000 0.587 801 D N -1.141 118.657 120.400 -1.003 0.000 2.363 801 D HA 0.090 4.730 4.640 -0.001 0.000 0.226 801 D C 1.264 177.367 176.300 -0.327 0.000 1.020 801 D CA 0.652 54.363 54.000 -0.482 0.000 0.892 801 D CB -0.473 40.234 40.800 -0.155 0.000 0.900 801 D HN 0.860 nan 8.370 nan 0.000 0.531 802 G N 1.884 110.503 108.800 -0.301 0.000 2.249 802 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.273 802 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.273 802 G C 0.488 175.390 174.900 0.004 0.000 1.036 802 G CA 0.950 45.968 45.100 -0.135 0.000 0.824 802 G HN 0.634 nan 8.290 nan 0.000 0.504 803 E N -3.536 116.669 120.200 0.009 0.000 2.370 803 E HA 0.039 4.389 4.350 -0.001 0.000 0.195 803 E C 0.363 176.987 176.600 0.040 0.000 1.001 803 E CA 0.204 56.638 56.400 0.058 0.000 1.531 803 E CB -0.123 29.641 29.700 0.106 0.000 2.982 803 E HN 0.266 nan 8.360 nan 0.000 1.057 804 T N 2.135 116.701 114.554 0.020 0.000 2.870 804 T HA 0.115 4.465 4.350 -0.001 0.000 0.300 804 T C 0.605 175.319 174.700 0.023 0.000 0.989 804 T CA -0.251 61.867 62.100 0.029 0.000 1.139 804 T CB 1.765 70.650 68.868 0.028 0.000 0.920 804 T HN 0.055 nan 8.240 nan 0.000 0.537 805 K N 1.782 122.201 120.400 0.032 0.000 2.148 805 K HA -0.113 4.206 4.320 -0.001 0.000 0.204 805 K C 0.905 177.515 176.600 0.018 0.000 1.050 805 K CA 1.341 57.640 56.287 0.019 0.000 0.942 805 K CB 0.096 32.619 32.500 0.038 0.000 0.724 805 K HN 0.717 nan 8.250 nan 0.000 0.446 806 D N -0.651 119.774 120.400 0.042 0.000 2.593 806 D HA -0.030 4.610 4.640 -0.001 0.000 0.241 806 D C 1.105 177.458 176.300 0.087 0.000 1.257 806 D CA 0.111 54.147 54.000 0.061 0.000 0.828 806 D CB 0.131 40.969 40.800 0.064 0.000 1.049 806 D HN 0.079 nan 8.370 nan 0.000 0.490 807 T N -0.967 113.640 114.554 0.088 0.000 2.684 807 T HA -0.215 4.135 4.350 -0.001 0.000 0.267 807 T C 1.962 176.829 174.700 0.278 0.000 1.036 807 T CA 0.770 62.960 62.100 0.150 0.000 1.148 807 T CB -0.436 68.504 68.868 0.120 0.000 0.863 807 T HN 0.085 nan 8.240 nan 0.000 0.436 808 I N 1.896 122.606 120.570 0.233 0.000 2.163 808 I HA -0.166 4.004 4.170 -0.001 0.000 0.243 808 I C 3.006 179.284 176.117 0.269 0.000 1.085 808 I CA 1.635 63.090 61.300 0.257 0.000 1.347 808 I CB -0.638 37.422 38.000 0.099 0.000 1.044 808 I HN 0.354 nan 8.210 nan 0.000 0.408 809 Q N 0.289 120.192 119.800 0.172 0.000 2.226 809 Q HA -0.190 4.149 4.340 -0.001 0.000 0.204 809 Q C 0.894 176.967 176.000 0.122 0.000 0.975 809 Q CA 1.311 57.190 55.803 0.126 0.000 0.866 809 Q CB 0.059 28.855 28.738 0.097 0.000 0.915 809 Q HN 0.495 nan 8.270 nan 0.000 0.440 810 N N -0.819 117.964 118.700 0.138 0.000 2.203 810 N HA 0.129 4.868 4.740 -0.001 0.000 0.207 810 N C 0.129 175.704 175.510 0.108 0.000 1.130 810 N CA 0.805 53.920 53.050 0.109 0.000 0.861 810 N CB 1.090 39.633 38.487 0.092 0.000 1.005 810 N HN 0.324 nan 8.380 nan 0.000 0.507 811 G N 1.351 110.234 108.800 0.140 0.000 2.273 811 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.280 811 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.280 811 G C -0.160 174.699 174.900 -0.068 0.000 1.047 811 G CA -0.185 44.896 45.100 -0.031 0.000 0.869 811 G HN 0.285 nan 8.290 nan 0.000 0.502 812 N N 0.188 118.922 118.700 0.057 0.000 3.301 812 N HA 0.468 5.208 4.740 -0.001 0.000 0.289 812 N C -0.229 175.333 175.510 0.088 0.000 1.343 812 N CA 0.221 53.310 53.050 0.065 0.000 1.136 812 N CB 0.197 38.743 38.487 0.098 0.000 1.402 812 N HN 0.752 nan 8.380 nan 0.000 0.516 813 Y N -1.970 118.375 120.300 0.075 0.000 2.744 813 Y HA 0.630 5.180 4.550 -0.001 0.000 0.330 813 Y C -1.057 174.865 175.900 0.038 0.000 1.263 813 Y CA -1.300 56.724 58.100 -0.126 0.000 1.065 813 Y CB 1.038 39.285 38.460 -0.355 0.000 1.306 813 Y HN -0.173 nan 8.280 nan 0.000 0.459 814 I N 2.189 122.858 120.570 0.166 0.000 2.474 814 I HA 0.492 4.661 4.170 -0.001 0.000 0.294 814 I C -1.467 174.752 176.117 0.170 0.000 1.005 814 I CA -0.923 60.492 61.300 0.191 0.000 1.113 814 I CB 1.979 40.138 38.000 0.265 0.000 1.289 814 I HN 0.533 nan 8.210 nan 0.000 0.436 815 L N 7.145 128.487 121.223 0.199 0.000 2.409 815 L HA 0.541 4.881 4.340 -0.001 0.000 0.272 815 L C -1.669 175.250 176.870 0.082 0.000 0.980 815 L CA -0.163 54.790 54.840 0.188 0.000 0.826 815 L CB 1.445 43.690 42.059 0.310 0.000 1.268 815 L HN 0.355 nan 8.230 nan 0.000 0.407 816 Y N 1.928 122.332 120.300 0.173 0.000 2.562 816 Y HA 0.711 5.261 4.550 -0.001 0.000 0.343 816 Y C 0.025 175.822 175.900 -0.172 0.000 1.025 816 Y CA -0.513 57.648 58.100 0.101 0.000 1.082 816 Y CB 2.683 41.326 38.460 0.305 0.000 1.264 816 Y HN 0.462 nan 8.280 nan 0.000 0.478 817 T N 3.641 118.184 114.554 -0.018 0.000 2.848 817 T HA 0.551 4.901 4.350 -0.001 0.000 0.285 817 T C -1.459 173.165 174.700 -0.127 0.000 0.995 817 T CA -0.565 61.459 62.100 -0.126 0.000 0.970 817 T CB 0.270 69.172 68.868 0.056 0.000 0.976 817 T HN 0.213 nan 8.240 nan 0.000 0.441 818 F N 1.160 121.238 119.950 0.212 0.000 2.492 818 F HA 0.774 5.301 4.527 -0.001 0.000 0.327 818 F C 0.627 176.486 175.800 0.098 0.000 1.079 818 F CA -1.232 56.843 58.000 0.125 0.000 0.967 818 F CB 1.911 40.947 39.000 0.059 0.000 1.169 818 F HN 0.337 nan 8.300 nan 0.000 0.472 819 S N 1.079 116.938 115.700 0.266 0.000 2.603 819 S HA 0.634 5.104 4.470 -0.001 0.000 0.274 819 S C -1.392 173.280 174.600 0.121 0.000 1.168 819 S CA -0.685 57.607 58.200 0.153 0.000 0.963 819 S CB 1.858 65.126 63.200 0.114 0.000 1.078 819 S HN 0.335 nan 8.310 nan 0.000 0.477 820 V N 3.170 123.143 119.914 0.097 0.000 2.540 820 V HA 0.938 5.058 4.120 -0.001 0.000 0.302 820 V C -0.238 175.882 176.094 0.044 0.000 1.035 820 V CA -0.476 61.881 62.300 0.095 0.000 0.873 820 V CB 1.561 33.489 31.823 0.174 0.000 0.992 820 V HN 1.003 nan 8.190 nan 0.000 0.428 821 S N 2.873 118.568 115.700 -0.008 0.000 2.567 821 S HA 0.508 4.978 4.470 -0.001 0.000 0.270 821 S C -0.243 174.292 174.600 -0.109 0.000 1.152 821 S CA -0.616 57.564 58.200 -0.035 0.000 0.835 821 S CB 1.717 64.902 63.200 -0.024 0.000 1.115 821 S HN 0.716 nan 8.310 nan 0.000 0.459 822 N N 1.444 120.078 118.700 -0.109 0.000 2.725 822 N HA -0.201 4.538 4.740 -0.001 0.000 0.249 822 N C -0.325 174.993 175.510 -0.319 0.000 1.103 822 N CA 1.221 54.172 53.050 -0.164 0.000 0.707 822 N CB -1.946 36.458 38.487 -0.139 0.000 1.043 822 N HN 0.979 nan 8.380 nan 0.000 0.553 823 N N -1.588 116.877 118.700 -0.391 0.000 2.721 823 N HA -0.217 4.522 4.740 -0.001 0.000 0.249 823 N C -0.629 173.939 175.510 -1.569 0.000 1.072 823 N CA 1.357 53.828 53.050 -0.964 0.000 0.710 823 N CB -0.669 37.299 38.487 -0.864 0.000 0.993 823 N HN 0.525 nan 8.380 nan 0.000 0.547 824 T N -0.304 113.703 114.554 -0.912 0.000 2.991 824 T HA 0.533 4.882 4.350 -0.001 0.000 0.303 824 T C -1.168 173.391 174.700 -0.235 0.000 1.015 824 T CA -0.881 60.829 62.100 -0.650 0.000 1.007 824 T CB 1.284 69.930 68.868 -0.371 0.000 1.034 824 T HN 0.241 nan 8.240 nan 0.000 0.446 825 L N 4.521 125.724 121.223 -0.033 0.000 2.275 825 L HA 0.659 4.998 4.340 -0.001 0.000 0.288 825 L C -0.822 176.104 176.870 0.094 0.000 1.046 825 L CA 0.013 54.928 54.840 0.126 0.000 0.805 825 L CB 1.099 43.299 42.059 0.234 0.000 1.193 825 L HN 0.627 nan 8.230 nan 0.000 0.426 826 D N 6.596 127.067 120.400 0.119 0.000 2.303 826 D HA 0.361 5.001 4.640 -0.001 0.000 0.236 826 D C -0.541 175.907 176.300 0.248 0.000 1.068 826 D CA 0.072 54.163 54.000 0.152 0.000 0.830 826 D CB 2.119 42.993 40.800 0.124 0.000 1.109 826 D HN 0.457 nan 8.370 nan 0.000 0.496 827 I N 2.378 123.125 120.570 0.294 0.000 2.371 827 I HA 0.130 4.300 4.170 -0.001 0.000 0.282 827 I C -0.433 175.989 176.117 0.508 0.000 1.031 827 I CA -0.685 60.889 61.300 0.457 0.000 1.180 827 I CB 1.421 39.635 38.000 0.356 0.000 1.336 827 I HN -0.013 nan 8.210 nan 0.000 0.467 828 V N 5.198 125.409 119.914 0.496 0.000 2.350 828 V HA 0.207 4.327 4.120 -0.001 0.000 0.285 828 V C 0.003 176.210 176.094 0.187 0.000 1.014 828 V CA -0.777 61.702 62.300 0.299 0.000 0.831 828 V CB 1.489 33.418 31.823 0.177 0.000 1.000 828 V HN 0.825 nan 8.190 nan 0.000 0.433 829 C N 5.545 124.820 119.300 -0.041 0.000 2.416 829 C HA 0.352 4.812 4.460 -0.001 0.000 0.355 829 C C 1.944 176.824 174.990 -0.183 0.000 1.211 829 C CA 0.447 59.163 59.018 -0.502 0.000 1.699 829 C CB -0.466 26.975 27.740 -0.498 0.000 2.310 829 C HN 1.070 nan 8.230 nan 0.000 0.539 830 T N 1.194 115.688 114.554 -0.100 0.000 3.100 830 T HA 0.143 4.493 4.350 -0.001 0.000 0.253 830 T C 0.231 175.001 174.700 0.116 0.000 1.118 830 T CA 0.604 62.728 62.100 0.040 0.000 1.058 830 T CB -0.296 68.633 68.868 0.102 0.000 0.953 830 T HN 0.907 nan 8.240 nan 0.000 0.515 831 H N -0.467 118.568 119.070 -0.058 0.000 3.139 831 H HA 0.487 5.042 4.556 -0.001 0.000 0.325 831 H C -1.918 173.345 175.328 -0.109 0.000 1.146 831 H CA -0.402 55.606 56.048 -0.065 0.000 1.351 831 H CB 1.567 31.316 29.762 -0.022 0.000 2.005 831 H HN 0.063 nan 8.280 nan 0.000 0.517 832 S N 3.449 118.874 115.700 -0.459 0.000 2.446 832 S HA 0.589 5.059 4.470 -0.001 0.000 0.230 832 S C -1.078 173.364 174.600 -0.263 0.000 1.051 832 S CA 0.244 58.312 58.200 -0.221 0.000 1.113 832 S CB -0.107 63.020 63.200 -0.122 0.000 1.184 832 S HN 1.022 nan 8.310 nan 0.000 0.435 833 S N 3.298 118.900 115.700 -0.163 0.000 2.539 833 S HA 0.501 4.970 4.470 -0.001 0.000 0.185 833 S C -0.876 173.779 174.600 0.091 0.000 1.181 833 S CA -0.314 57.836 58.200 -0.084 0.000 1.216 833 S CB 0.275 63.394 63.200 -0.136 0.000 1.476 833 S HN 0.879 nan 8.310 nan 0.000 0.395 834 Y N 1.835 122.119 120.300 -0.027 0.000 2.359 834 Y HA 0.370 4.920 4.550 -0.001 0.000 0.336 834 Y C 0.812 176.735 175.900 0.039 0.000 1.098 834 Y CA -0.724 57.386 58.100 0.017 0.000 1.272 834 Y CB 1.001 39.484 38.460 0.039 0.000 1.112 834 Y HN 0.301 nan 8.280 nan 0.000 0.481 835 Q N 2.991 122.654 119.800 -0.229 0.000 2.030 835 Q HA -0.213 4.126 4.340 -0.001 0.000 0.204 835 Q C 1.534 177.308 176.000 -0.376 0.000 0.986 835 Q CA 2.295 57.959 55.803 -0.231 0.000 0.843 835 Q CB 0.067 28.731 28.738 -0.123 0.000 0.904 835 Q HN 0.951 nan 8.270 nan 0.000 0.420 836 E N -1.071 118.775 120.200 -0.591 0.000 2.267 836 E HA -0.143 4.207 4.350 -0.001 0.000 0.197 836 E C 1.594 177.932 176.600 -0.438 0.000 0.998 836 E CA 0.918 57.043 56.400 -0.458 0.000 0.830 836 E CB -0.189 29.318 29.700 -0.320 0.000 0.751 836 E HN 0.487 nan 8.360 nan 0.000 0.491 837 G N -0.286 108.068 108.800 -0.742 0.000 2.484 837 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.218 837 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.218 837 G C 1.480 176.361 174.900 -0.031 0.000 1.130 837 G CA 0.892 45.950 45.100 -0.070 0.000 0.784 837 G HN 0.231 nan 8.290 nan 0.000 0.543 838 T N 1.394 115.898 114.554 -0.083 0.000 2.915 838 T HA -0.138 4.212 4.350 -0.001 0.000 0.269 838 T C 2.742 177.424 174.700 -0.031 0.000 1.071 838 T CA 1.772 63.859 62.100 -0.021 0.000 1.132 838 T CB -0.431 68.423 68.868 -0.023 0.000 0.878 838 T HN 0.549 nan 8.240 nan 0.000 0.479 839 T N 0.521 115.040 114.554 -0.057 0.000 2.915 839 T HA 0.130 4.480 4.350 -0.001 0.000 0.269 839 T C 0.891 175.552 174.700 -0.066 0.000 1.071 839 T CA 0.342 62.413 62.100 -0.049 0.000 1.132 839 T CB -0.565 68.276 68.868 -0.045 0.000 0.878 839 T HN 0.244 nan 8.240 nan 0.000 0.479 840 L N 1.478 122.642 121.223 -0.097 0.000 2.453 840 L HA 0.620 4.960 4.340 -0.001 0.000 0.261 840 L C 0.344 177.075 176.870 -0.231 0.000 1.179 840 L CA -0.707 54.026 54.840 -0.179 0.000 0.813 840 L CB 0.681 42.573 42.059 -0.278 0.000 1.110 840 L HN 0.336 nan 8.230 nan 0.000 0.466 841 A N 1.326 123.970 122.820 -0.294 0.000 2.574 841 A HA 0.672 4.992 4.320 -0.001 0.000 0.297 841 A C -1.204 176.134 177.584 -0.410 0.000 1.062 841 A CA -0.612 51.224 52.037 -0.334 0.000 0.686 841 A CB 0.813 19.706 19.000 -0.178 0.000 1.285 841 A HN 0.380 nan 8.150 nan 0.000 0.403 842 F N 1.022 120.817 119.950 -0.259 0.000 2.504 842 F HA 0.312 4.839 4.527 -0.001 0.000 0.369 842 F C 1.496 177.145 175.800 -0.252 0.000 1.082 842 F CA 0.725 58.549 58.000 -0.294 0.000 1.216 842 F CB 0.840 39.619 39.000 -0.369 0.000 1.108 842 F HN 0.678 nan 8.300 nan 0.000 0.554 843 Q N 0.777 120.559 119.800 -0.031 0.000 2.127 843 Q HA 0.154 4.494 4.340 -0.001 0.000 0.222 843 Q C -0.041 175.927 176.000 -0.052 0.000 0.794 843 Q CA -0.033 55.736 55.803 -0.055 0.000 1.010 843 Q CB 1.361 30.068 28.738 -0.052 0.000 1.170 843 Q HN 0.663 nan 8.270 nan 0.000 0.479 844 T N -0.290 114.223 114.554 -0.069 0.000 3.578 844 T HA 0.387 4.737 4.350 -0.001 0.000 0.343 844 T C -1.879 172.736 174.700 -0.142 0.000 1.126 844 T CA -0.384 61.665 62.100 -0.086 0.000 1.092 844 T CB 1.372 70.206 68.868 -0.056 0.000 1.160 844 T HN -0.118 nan 8.240 nan 0.000 0.469 845 V N 6.053 125.861 119.914 -0.178 0.000 2.443 845 V HA 0.602 4.722 4.120 -0.001 0.000 0.293 845 V C -0.133 175.815 176.094 -0.244 0.000 1.021 845 V CA -0.867 61.285 62.300 -0.246 0.000 0.848 845 V CB 1.753 33.404 31.823 -0.287 0.000 0.998 845 V HN 0.842 nan 8.190 nan 0.000 0.424 846 K N 5.449 125.700 120.400 -0.249 0.000 2.274 846 K HA 0.721 5.040 4.320 -0.001 0.000 0.262 846 K C -1.480 174.932 176.600 -0.314 0.000 0.961 846 K CA -0.623 55.514 56.287 -0.251 0.000 0.833 846 K CB 1.542 33.917 32.500 -0.208 0.000 1.102 846 K HN 0.634 nan 8.250 nan 0.000 0.436 847 I N 5.952 126.305 120.570 -0.362 0.000 2.389 847 I HA 0.276 4.446 4.170 -0.001 0.000 0.288 847 I C -0.621 175.281 176.117 -0.358 0.000 0.999 847 I CA -0.737 60.311 61.300 -0.420 0.000 1.129 847 I CB 1.500 39.099 38.000 -0.668 0.000 1.288 847 I HN 0.426 nan 8.210 nan 0.000 0.444 848 L N 5.521 126.499 121.223 -0.409 0.000 2.322 848 L HA 0.674 5.014 4.340 -0.001 0.000 0.279 848 L C 0.863 177.468 176.870 -0.442 0.000 1.036 848 L CA -0.758 53.779 54.840 -0.505 0.000 0.807 848 L CB 1.426 42.962 42.059 -0.871 0.000 1.226 848 L HN 0.865 nan 8.230 nan 0.000 0.433 849 G N 2.915 111.630 108.800 -0.143 0.000 2.368 849 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.290 849 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.290 849 G C -0.531 174.431 174.900 0.104 0.000 1.098 849 G CA -0.487 44.719 45.100 0.177 0.000 1.073 849 G HN 0.403 nan 8.290 nan 0.000 0.511 850 L N -0.068 121.204 121.223 0.081 0.000 2.331 850 L HA 0.640 4.979 4.340 -0.001 0.000 0.278 850 L C 2.018 178.972 176.870 0.140 0.000 1.106 850 L CA 0.471 55.385 54.840 0.123 0.000 0.824 850 L CB 0.886 43.046 42.059 0.169 0.000 1.142 850 L HN 0.564 nan 8.230 nan 0.000 0.443 851 T N 0.342 114.971 114.554 0.126 0.000 2.985 851 T HA 0.116 4.465 4.350 -0.001 0.000 0.266 851 T C 0.597 175.352 174.700 0.091 0.000 1.076 851 T CA 1.476 63.635 62.100 0.098 0.000 1.135 851 T CB -0.380 68.534 68.868 0.077 0.000 0.890 851 T HN 0.743 nan 8.240 nan 0.000 0.480 852 D N 0.553 121.008 120.400 0.092 0.000 2.732 852 D HA 0.602 5.242 4.640 -0.001 0.000 0.229 852 D C 0.160 176.442 176.300 -0.031 0.000 1.152 852 D CA -0.042 53.986 54.000 0.046 0.000 0.854 852 D CB 1.139 41.951 40.800 0.021 0.000 1.590 852 D HN 0.500 nan 8.370 nan 0.000 0.468 853 S N -0.606 115.021 115.700 -0.120 0.000 2.589 853 S HA 0.531 5.000 4.470 -0.001 0.000 0.265 853 S C 0.093 174.376 174.600 -0.527 0.000 1.342 853 S CA -0.415 57.449 58.200 -0.559 0.000 1.005 853 S CB 1.047 64.069 63.200 -0.296 0.000 0.909 853 S HN 0.917 nan 8.310 nan 0.000 0.555 854 V N 1.994 121.425 119.914 -0.804 0.000 2.495 854 V HA 0.408 4.528 4.120 -0.001 0.000 0.298 854 V C 0.634 176.660 176.094 -0.113 0.000 1.031 854 V CA -0.552 61.540 62.300 -0.347 0.000 0.871 854 V CB 1.588 33.225 31.823 -0.310 0.000 0.988 854 V HN 1.150 nan 8.190 nan 0.000 0.432 855 T N 2.717 117.250 114.554 -0.035 0.000 3.071 855 T HA 0.139 4.489 4.350 -0.001 0.000 0.239 855 T C 0.293 175.087 174.700 0.158 0.000 0.997 855 T CA 0.345 62.493 62.100 0.080 0.000 1.134 855 T CB 0.361 69.247 68.868 0.030 0.000 0.928 855 T HN 0.720 nan 8.240 nan 0.000 0.453 856 E N 0.882 121.087 120.200 0.008 0.000 2.272 856 E HA 0.561 4.911 4.350 -0.001 0.000 0.269 856 E C -1.752 174.757 176.600 -0.152 0.000 0.877 856 E CA -0.647 55.758 56.400 0.007 0.000 0.755 856 E CB 1.871 31.584 29.700 0.022 0.000 1.192 856 E HN -0.090 nan 8.360 nan 0.000 0.422 857 V N 4.637 124.457 119.914 -0.157 0.000 2.495 857 V HA 0.599 4.718 4.120 -0.001 0.000 0.298 857 V C -0.229 175.880 176.094 0.024 0.000 1.031 857 V CA -0.693 61.521 62.300 -0.144 0.000 0.871 857 V CB 1.640 33.276 31.823 -0.311 0.000 0.988 857 V HN 0.676 nan 8.190 nan 0.000 0.432 858 R N 2.655 123.166 120.500 0.017 0.000 2.670 858 R HA 0.867 5.207 4.340 -0.001 0.000 0.289 858 R C -1.687 174.638 176.300 0.041 0.000 0.965 858 R CA -0.658 55.468 56.100 0.043 0.000 0.899 858 R CB 2.557 32.868 30.300 0.019 0.000 1.173 858 R HN 0.520 nan 8.270 nan 0.000 0.456 859 V N 1.569 121.524 119.914 0.068 0.000 2.638 859 V HA 0.721 4.840 4.120 -0.001 0.000 0.306 859 V C -0.806 175.355 176.094 0.113 0.000 1.052 859 V CA -0.826 61.520 62.300 0.077 0.000 0.885 859 V CB 1.811 33.669 31.823 0.059 0.000 0.999 859 V HN 0.919 nan 8.190 nan 0.000 0.424 860 A N 3.254 126.155 122.820 0.134 0.000 2.371 860 A HA 0.810 5.129 4.320 -0.001 0.000 0.311 860 A C -0.627 177.065 177.584 0.180 0.000 1.068 860 A CA -0.605 51.508 52.037 0.126 0.000 0.744 860 A CB 1.550 20.591 19.000 0.067 0.000 1.239 860 A HN 0.858 nan 8.150 nan 0.000 0.435 861 E N 2.041 122.316 120.200 0.125 0.000 2.242 861 E HA 0.478 4.828 4.350 -0.001 0.000 0.275 861 E C 1.224 177.744 176.600 -0.135 0.000 1.002 861 E CA 0.653 57.006 56.400 -0.079 0.000 0.841 861 E CB 0.696 30.349 29.700 -0.079 0.000 1.109 861 E HN 1.382 nan 8.360 nan 0.000 0.394 862 N N 1.992 120.542 118.700 -0.250 0.000 1.758 862 N HA -0.453 4.286 4.740 -0.001 0.000 0.152 862 N C 0.867 176.340 175.510 -0.061 0.000 0.558 862 N CA 2.515 55.480 53.050 -0.142 0.000 1.229 862 N CB -2.127 36.292 38.487 -0.114 0.000 1.337 862 N HN 0.927 nan 8.380 nan 0.000 0.432 863 N N -0.589 118.088 118.700 -0.038 0.000 2.143 863 N HA 0.633 5.372 4.740 -0.001 0.000 0.229 863 N C 1.149 176.654 175.510 -0.008 0.000 1.294 863 N CA 1.994 55.034 53.050 -0.016 0.000 0.883 863 N CB -0.174 38.305 38.487 -0.013 0.000 1.148 863 N HN 1.830 nan 8.380 nan 0.000 0.511 864 Q N 1.074 120.869 119.800 -0.008 0.000 2.394 864 Q HA 0.392 4.731 4.340 -0.001 0.000 0.303 864 Q C -2.252 173.757 176.000 0.014 0.000 1.117 864 Q CA -0.480 55.326 55.803 0.005 0.000 0.966 864 Q CB -1.229 27.516 28.738 0.011 0.000 1.275 864 Q HN 0.536 nan 8.270 nan 0.000 0.429 865 P HA 0.429 nan 4.420 nan 0.000 0.272 865 P C -0.319 176.999 177.300 0.030 0.000 1.223 865 P CA 0.274 63.385 63.100 0.018 0.000 0.784 865 P CB 0.429 32.138 31.700 0.015 0.000 0.923 866 M N 1.977 121.594 119.600 0.028 0.000 2.184 866 M HA 0.230 4.710 4.480 -0.001 0.000 0.351 866 M C 0.174 176.501 176.300 0.045 0.000 1.395 866 M CA -0.178 55.146 55.300 0.039 0.000 1.117 866 M CB -1.120 31.495 32.600 0.025 0.000 1.708 866 M HN 0.316 nan 8.290 nan 0.000 0.468 867 N N 2.793 121.531 118.700 0.064 0.000 2.482 867 N HA 0.784 5.524 4.740 -0.001 0.000 0.279 867 N C 0.083 175.645 175.510 0.086 0.000 1.182 867 N CA -0.099 52.992 53.050 0.068 0.000 0.969 867 N CB 1.331 39.862 38.487 0.074 0.000 1.201 867 N HN 0.966 nan 8.380 nan 0.000 0.523 868 A N -0.044 122.826 122.820 0.083 0.000 2.386 868 A HA 0.200 4.520 4.320 -0.001 0.000 0.248 868 A C -0.482 177.198 177.584 0.159 0.000 1.082 868 A CA 0.085 52.187 52.037 0.107 0.000 0.789 868 A CB -0.214 18.837 19.000 0.085 0.000 1.025 868 A HN 0.841 nan 8.150 nan 0.000 0.490 869 H N 0.409 119.533 119.070 0.089 0.000 2.658 869 H HA 0.453 5.009 4.556 -0.001 0.000 0.337 869 H C 0.709 176.162 175.328 0.207 0.000 1.009 869 H CA 0.035 56.152 56.048 0.114 0.000 1.231 869 H CB 1.684 31.500 29.762 0.091 0.000 1.508 869 H HN 0.510 nan 8.280 nan 0.000 0.517 870 S N 2.612 118.222 115.700 -0.149 0.000 2.356 870 S HA -0.083 4.387 4.470 -0.001 0.000 0.219 870 S C 0.728 175.317 174.600 -0.019 0.000 1.036 870 S CA 0.186 58.365 58.200 -0.035 0.000 0.965 870 S CB -0.225 62.912 63.200 -0.106 0.000 0.864 870 S HN 0.623 nan 8.310 nan 0.000 0.471 871 N N 2.085 120.682 118.700 -0.172 0.000 2.394 871 N HA 0.352 5.092 4.740 -0.001 0.000 0.288 871 N C -0.871 174.806 175.510 0.280 0.000 1.272 871 N CA 0.008 53.049 53.050 -0.015 0.000 1.004 871 N CB -0.614 37.855 38.487 -0.029 0.000 1.393 871 N HN 0.421 nan 8.380 nan 0.000 0.488 872 F N -0.903 119.090 119.950 0.072 0.000 2.741 872 F HA 0.619 5.145 4.527 -0.001 0.000 0.311 872 F C -1.196 174.629 175.800 0.042 0.000 1.149 872 F CA -0.950 57.093 58.000 0.072 0.000 0.930 872 F CB 1.019 40.082 39.000 0.104 0.000 1.312 872 F HN -0.084 nan 8.300 nan 0.000 0.450 873 T N 2.055 116.764 114.554 0.258 0.000 2.921 873 T HA 0.410 4.759 4.350 -0.001 0.000 0.297 873 T C -2.272 172.604 174.700 0.293 0.000 1.013 873 T CA -0.492 61.678 62.100 0.117 0.000 0.990 873 T CB 1.298 70.175 68.868 0.014 0.000 1.023 873 T HN 0.732 nan 8.240 nan 0.000 0.447 874 Y N 2.617 122.998 120.300 0.134 0.000 2.341 874 Y HA 0.563 5.113 4.550 -0.001 0.000 0.338 874 Y C -1.010 174.910 175.900 0.033 0.000 0.965 874 Y CA -1.275 56.888 58.100 0.105 0.000 1.108 874 Y CB 1.303 39.867 38.460 0.172 0.000 1.180 874 Y HN 0.568 nan 8.280 nan 0.000 0.458 875 D N 4.642 124.612 120.400 -0.717 0.000 2.441 875 D HA 0.410 5.050 4.640 -0.001 0.000 0.231 875 D C 0.303 176.112 176.300 -0.818 0.000 1.073 875 D CA -0.016 53.643 54.000 -0.568 0.000 0.850 875 D CB 1.535 42.160 40.800 -0.293 0.000 1.062 875 D HN 0.704 nan 8.370 nan 0.000 0.524 876 A N 2.731 125.160 122.820 -0.652 0.000 2.066 876 A HA -0.056 4.263 4.320 -0.001 0.000 0.218 876 A C 1.968 179.453 177.584 -0.165 0.000 1.157 876 A CA 1.151 52.978 52.037 -0.350 0.000 0.670 876 A CB -0.181 18.814 19.000 -0.008 0.000 0.804 876 A HN 0.539 nan 8.150 nan 0.000 0.453 877 S N 1.054 116.659 115.700 -0.158 0.000 2.355 877 S HA -0.117 4.353 4.470 -0.001 0.000 0.222 877 S C 1.423 175.969 174.600 -0.090 0.000 1.031 877 S CA 1.491 59.635 58.200 -0.095 0.000 0.993 877 S CB -0.373 62.777 63.200 -0.083 0.000 0.859 877 S HN 0.646 nan 8.310 nan 0.000 0.453 878 N N 1.567 120.192 118.700 -0.125 0.000 2.280 878 N HA 0.042 4.781 4.740 -0.001 0.000 0.192 878 N C -0.156 175.305 175.510 -0.082 0.000 1.109 878 N CA 0.145 53.140 53.050 -0.091 0.000 0.855 878 N CB -0.202 38.226 38.487 -0.099 0.000 0.974 878 N HN 0.467 nan 8.380 nan 0.000 0.482 879 Q N -0.897 118.828 119.800 -0.124 0.000 2.416 879 Q HA -0.183 4.156 4.340 -0.001 0.000 0.319 879 Q C -1.131 174.819 176.000 -0.084 0.000 1.318 879 Q CA 0.541 56.300 55.803 -0.075 0.000 0.915 879 Q CB -2.661 26.114 28.738 0.061 0.000 1.184 879 Q HN 0.064 nan 8.270 nan 0.000 0.444 880 V N 1.208 121.005 119.914 -0.195 0.000 2.483 880 V HA 0.642 4.761 4.120 -0.001 0.000 0.295 880 V C -0.010 176.005 176.094 -0.133 0.000 1.035 880 V CA -0.875 61.324 62.300 -0.168 0.000 0.896 880 V CB 1.590 33.310 31.823 -0.173 0.000 0.986 880 V HN 0.490 nan 8.190 nan 0.000 0.447 881 L N 6.810 127.966 121.223 -0.112 0.000 2.333 881 L HA 0.750 5.090 4.340 -0.001 0.000 0.280 881 L C -0.771 176.019 176.870 -0.133 0.000 1.004 881 L CA -0.253 54.554 54.840 -0.055 0.000 0.820 881 L CB 1.518 43.484 42.059 -0.155 0.000 1.247 881 L HN 0.682 nan 8.230 nan 0.000 0.416 882 L N 3.924 125.119 121.223 -0.045 0.000 2.325 882 L HA 0.698 5.038 4.340 -0.001 0.000 0.281 882 L C -1.093 175.787 176.870 0.016 0.000 1.004 882 L CA -0.512 54.287 54.840 -0.067 0.000 0.823 882 L CB 1.391 43.405 42.059 -0.074 0.000 1.236 882 L HN 0.501 nan 8.230 nan 0.000 0.415 883 I N 4.303 124.846 120.570 -0.044 0.000 2.301 883 I HA 0.614 4.784 4.170 -0.001 0.000 0.292 883 I C 0.723 176.851 176.117 0.017 0.000 1.046 883 I CA -0.129 61.178 61.300 0.012 0.000 1.282 883 I CB 1.257 39.173 38.000 -0.139 0.000 1.409 883 I HN 0.883 nan 8.210 nan 0.000 0.484 884 A N 4.254 127.151 122.820 0.128 0.000 2.269 884 A HA 0.479 4.798 4.320 -0.001 0.000 0.319 884 A C 0.284 177.977 177.584 0.181 0.000 1.110 884 A CA -0.357 51.739 52.037 0.099 0.000 0.847 884 A CB 0.578 19.619 19.000 0.070 0.000 1.161 884 A HN 0.834 nan 8.150 nan 0.000 0.497 885 D N -1.083 119.374 120.400 0.094 0.000 2.737 885 D HA -0.117 4.523 4.640 -0.001 0.000 0.238 885 D C -0.733 175.672 176.300 0.175 0.000 1.157 885 D CA 0.921 54.981 54.000 0.100 0.000 0.694 885 D CB -1.623 39.221 40.800 0.074 0.000 1.021 885 D HN 0.413 nan 8.370 nan 0.000 0.420 886 L N 0.272 121.530 121.223 0.058 0.000 2.397 886 L HA 0.642 4.981 4.340 -0.001 0.000 0.266 886 L C 1.120 177.962 176.870 -0.047 0.000 1.040 886 L CA -0.763 54.075 54.840 -0.004 0.000 0.800 886 L CB 0.835 42.795 42.059 -0.166 0.000 1.324 886 L HN -0.026 nan 8.230 nan 0.000 0.469 887 K N 0.674 121.011 120.400 -0.106 0.000 3.309 887 K HA 0.417 4.737 4.320 -0.001 0.000 0.187 887 K C -1.487 174.942 176.600 -0.285 0.000 1.085 887 K CA 0.039 56.253 56.287 -0.121 0.000 0.867 887 K CB -0.069 32.411 32.500 -0.033 0.000 0.846 887 K HN 0.372 nan 8.250 nan 0.000 0.522 888 L N 1.685 122.625 121.223 -0.472 0.000 2.385 888 L HA 0.313 4.653 4.340 -0.001 0.000 0.285 888 L C -0.282 176.394 176.870 -0.324 0.000 1.125 888 L CA -0.545 53.697 54.840 -0.997 0.000 0.890 888 L CB -0.172 41.365 42.059 -0.870 0.000 1.251 888 L HN 0.224 nan 8.230 nan 0.000 0.445 889 N N 2.572 121.256 118.700 -0.026 0.000 2.470 889 N HA 0.271 5.010 4.740 -0.001 0.000 0.268 889 N C -0.435 175.245 175.510 0.283 0.000 1.136 889 N CA -0.596 52.528 53.050 0.123 0.000 0.961 889 N CB 0.834 39.418 38.487 0.163 0.000 1.067 889 N HN 0.315 nan 8.380 nan 0.000 0.468 890 L N 2.200 123.499 121.223 0.126 0.000 2.601 890 L HA 0.083 4.423 4.340 -0.001 0.000 0.277 890 L C 1.609 178.681 176.870 0.336 0.000 1.219 890 L CA 1.290 56.313 54.840 0.304 0.000 0.915 890 L CB -0.330 41.813 42.059 0.139 0.000 1.160 890 L HN 0.905 nan 8.230 nan 0.000 0.494 891 G N 2.792 111.857 108.800 0.441 0.000 2.428 891 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.199 891 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.199 891 G C 0.534 175.542 174.900 0.181 0.000 1.005 891 G CA -0.322 44.904 45.100 0.210 0.000 0.671 891 G HN 0.495 nan 8.290 nan 0.000 0.485 892 R N 0.122 120.816 120.500 0.323 0.000 2.873 892 R HA 0.615 4.955 4.340 -0.001 0.000 0.264 892 R C -1.047 175.323 176.300 0.116 0.000 1.026 892 R CA -0.940 55.231 56.100 0.119 0.000 1.002 892 R CB 0.820 31.107 30.300 -0.022 0.000 1.174 892 R HN 0.138 nan 8.270 nan 0.000 0.488 893 N N 0.583 119.160 118.700 -0.206 0.000 2.487 893 N HA 0.460 5.200 4.740 -0.001 0.000 0.292 893 N C -1.225 173.976 175.510 -0.514 0.000 1.108 893 N CA 0.026 53.014 53.050 -0.103 0.000 0.956 893 N CB 0.820 39.289 38.487 -0.030 0.000 1.176 893 N HN 0.274 nan 8.380 nan 0.000 0.484 894 F N -0.900 119.152 119.950 0.171 0.000 2.645 894 F HA 0.486 5.013 4.527 -0.001 0.000 0.310 894 F C 0.155 176.003 175.800 0.079 0.000 1.102 894 F CA -0.744 57.321 58.000 0.108 0.000 0.952 894 F CB 1.885 40.943 39.000 0.096 0.000 1.326 894 F HN 0.129 nan 8.300 nan 0.000 0.456 895 S N 0.833 116.680 115.700 0.245 0.000 2.521 895 S HA 0.832 5.301 4.470 -0.001 0.000 0.295 895 S C -1.438 173.226 174.600 0.106 0.000 1.098 895 S CA -0.637 57.643 58.200 0.133 0.000 0.999 895 S CB 1.963 65.204 63.200 0.069 0.000 1.034 895 S HN 0.337 nan 8.310 nan 0.000 0.483 896 V N 3.845 123.807 119.914 0.079 0.000 2.531 896 V HA 0.528 4.648 4.120 -0.001 0.000 0.301 896 V C -0.507 175.623 176.094 0.060 0.000 1.034 896 V CA -0.703 61.650 62.300 0.088 0.000 0.865 896 V CB 1.771 33.659 31.823 0.108 0.000 0.995 896 V HN 0.782 nan 8.190 nan 0.000 0.424 897 Q N 2.772 122.576 119.800 0.006 0.000 2.345 897 Q HA 0.587 4.927 4.340 -0.001 0.000 0.268 897 Q C -1.344 174.656 176.000 0.000 0.000 1.054 897 Q CA -0.629 55.059 55.803 -0.192 0.000 0.835 897 Q CB 3.170 31.799 28.738 -0.180 0.000 1.339 897 Q HN 0.843 nan 8.270 nan 0.000 0.447 898 W N 0.000 121.212 121.300 -0.147 0.000 2.388 898 W HA 0.000 4.660 4.660 -0.001 0.000 0.303 898 W CA 0.000 57.221 57.345 -0.206 0.000 1.226 898 W CB 0.000 29.322 29.460 -0.231 0.000 1.126 898 W HN 0.000 nan 8.180 nan 0.000 0.535