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_A 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 0.000 176.588 176.600 -0.019 0.000 0.988 29 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 29 K CB 0.000 32.503 32.500 0.005 0.000 1.064 30 c N 2.680 121.275 118.600 -0.008 0.000 2.771 30 c HA 0.900 5.466 4.570 -0.006 0.000 0.333 30 c C -1.970 172.151 174.090 0.052 0.000 1.267 30 c CA -1.075 55.252 56.329 -0.003 0.000 1.721 30 c CB 1.558 44.064 42.510 -0.007 0.000 2.222 30 c HN 0.949 nan 8.230 nan 0.000 0.485 31 P HA 0.200 nan 4.420 nan 0.000 0.268 31 P C 0.461 177.802 177.300 0.067 0.000 1.204 31 P CA 0.558 63.716 63.100 0.097 0.000 0.768 31 P CB 0.259 32.039 31.700 0.132 0.000 0.842 32 N N 2.800 121.530 118.700 0.049 0.000 2.069 32 N HA -0.115 4.621 4.740 -0.006 0.000 0.191 32 N C 1.076 176.609 175.510 0.038 0.000 1.031 32 N CA 1.359 54.431 53.050 0.036 0.000 0.852 32 N CB -0.808 37.696 38.487 0.027 0.000 1.018 32 N HN 0.465 nan 8.380 nan 0.000 0.423 33 V N 0.986 120.924 119.914 0.040 0.000 2.557 33 V HA 0.401 4.517 4.120 -0.006 0.000 0.301 33 V C 2.035 178.159 176.094 0.051 0.000 1.026 33 V CA 0.652 62.976 62.300 0.039 0.000 1.137 33 V CB 0.178 32.022 31.823 0.035 0.000 0.917 33 V HN 0.735 nan 8.190 nan 0.000 0.484 34 L N 4.767 126.017 121.223 0.046 0.000 1.988 34 L HA 0.065 4.401 4.340 -0.006 0.000 0.207 34 L C 2.042 178.954 176.870 0.071 0.000 1.071 34 L CA 2.379 57.251 54.840 0.053 0.000 0.744 34 L CB -2.078 40.005 42.059 0.039 0.000 0.893 34 L HN 1.087 nan 8.230 nan 0.000 0.433 35 N N 1.817 120.557 118.700 0.066 0.000 3.254 35 N HA 0.321 5.057 4.740 -0.006 0.000 0.308 35 N C 0.388 175.941 175.510 0.071 0.000 1.281 35 N CA 0.157 53.261 53.050 0.090 0.000 1.212 35 N CB -1.278 37.258 38.487 0.082 0.000 1.478 35 N HN 0.929 nan 8.380 nan 0.000 0.548 36 D N 0.133 120.567 120.400 0.057 0.000 2.364 36 D HA 0.063 4.699 4.640 -0.006 0.000 0.236 36 D C -2.324 173.951 176.300 -0.042 0.000 1.221 36 D CA -0.728 53.281 54.000 0.015 0.000 0.891 36 D CB 0.597 41.414 40.800 0.028 0.000 1.190 36 D HN 0.262 nan 8.370 nan 0.000 0.449 37 P HA 0.060 nan 4.420 nan 0.000 0.287 37 P C 1.057 178.244 177.300 -0.187 0.000 1.294 37 P CA -0.566 62.478 63.100 -0.093 0.000 0.776 37 P CB 1.462 33.129 31.700 -0.054 0.000 0.889 38 V N 1.029 120.784 119.914 -0.264 0.000 2.667 38 V HA -0.125 3.992 4.120 -0.006 0.000 0.252 38 V C 1.411 177.397 176.094 -0.179 0.000 1.065 38 V CA 1.238 63.291 62.300 -0.412 0.000 1.083 38 V CB -1.440 29.935 31.823 -0.747 0.000 0.692 38 V HN 0.368 nan 8.190 nan 0.000 0.468 39 N N 0.271 118.931 118.700 -0.066 0.000 2.571 39 N HA 0.055 4.791 4.740 -0.006 0.000 0.189 39 N C 1.130 176.606 175.510 -0.057 0.000 1.154 39 N CA 0.711 53.762 53.050 0.002 0.000 0.907 39 N CB 0.351 38.804 38.487 -0.056 0.000 0.977 39 N HN 0.432 nan 8.380 nan 0.000 0.449 40 V N 0.631 120.497 119.914 -0.080 0.000 3.578 40 V HA 0.104 4.220 4.120 -0.006 0.000 0.290 40 V C 0.533 176.589 176.094 -0.063 0.000 1.376 40 V CA 0.054 62.313 62.300 -0.068 0.000 1.083 40 V CB -0.075 31.710 31.823 -0.062 0.000 0.911 40 V HN 0.156 nan 8.190 nan 0.000 0.433 41 R N 0.788 121.203 120.500 -0.142 0.000 2.351 41 R HA 0.255 4.591 4.340 -0.006 0.000 0.318 41 R C -0.790 175.533 176.300 0.039 0.000 1.055 41 R CA -0.119 55.832 56.100 -0.249 0.000 0.968 41 R CB 0.458 30.333 30.300 -0.707 0.000 0.974 41 R HN 0.139 nan 8.270 nan 0.000 0.439 42 I N 3.315 123.993 120.570 0.180 0.000 2.312 42 I HA -0.003 4.163 4.170 -0.006 0.000 0.291 42 I C 0.441 176.717 176.117 0.265 0.000 1.031 42 I CA -0.442 61.017 61.300 0.265 0.000 1.293 42 I CB 0.702 38.897 38.000 0.324 0.000 1.403 42 I HN 0.428 nan 8.210 nan 0.000 0.484 43 N N 4.850 123.614 118.700 0.106 0.000 2.411 43 N HA -0.110 4.626 4.740 -0.006 0.000 0.261 43 N C 0.775 176.154 175.510 -0.218 0.000 1.248 43 N CA 0.386 53.405 53.050 -0.051 0.000 0.885 43 N CB 0.693 39.092 38.487 -0.147 0.000 1.062 43 N HN 0.799 nan 8.380 nan 0.000 0.471 44 c N 4.283 122.580 118.600 -0.505 0.000 2.735 44 c HA 0.381 4.947 4.570 -0.006 0.000 0.271 44 c C 0.808 174.634 174.090 -0.439 0.000 1.281 44 c CA -0.205 55.547 56.329 -0.961 0.000 1.719 44 c CB -0.672 41.211 42.510 -1.045 0.000 2.024 44 c HN 0.691 nan 8.230 nan 0.000 0.566 45 I N 2.486 122.908 120.570 -0.247 0.000 2.621 45 I HA 0.282 4.449 4.170 -0.006 0.000 0.276 45 I C -1.847 174.222 176.117 -0.081 0.000 1.118 45 I CA -1.101 60.114 61.300 -0.142 0.000 1.159 45 I CB 1.247 39.181 38.000 -0.111 0.000 1.357 45 I HN 0.101 nan 8.210 nan 0.000 0.513 46 P HA 0.074 nan 4.420 nan 0.000 0.261 46 P C 0.324 177.704 177.300 0.133 0.000 1.268 46 P CA 0.577 63.689 63.100 0.021 0.000 0.833 46 P CB 0.311 32.045 31.700 0.056 0.000 1.231 47 E N -1.191 119.114 120.200 0.175 0.000 2.630 47 E HA 0.217 4.563 4.350 -0.006 0.000 0.218 47 E C 0.467 177.142 176.600 0.126 0.000 0.977 47 E CA -0.367 56.163 56.400 0.217 0.000 1.038 47 E CB 0.338 30.270 29.700 0.386 0.000 1.051 47 E HN 0.140 nan 8.360 nan 0.000 0.487 48 Q N 0.001 119.851 119.800 0.084 0.000 2.594 48 Q HA 0.249 4.585 4.340 -0.006 0.000 0.278 48 Q C -1.518 174.525 176.000 0.072 0.000 0.961 48 Q CA -0.954 54.900 55.803 0.085 0.000 0.844 48 Q CB 0.945 29.732 28.738 0.081 0.000 1.475 48 Q HN 0.133 nan 8.270 nan 0.000 0.389 49 F N 3.738 123.664 119.950 -0.041 0.000 2.578 49 F HA 0.313 4.843 4.527 0.005 0.000 0.381 49 F C -2.010 173.773 175.800 -0.028 0.000 1.069 49 F CA -1.090 56.866 58.000 -0.073 0.000 1.231 49 F CB 0.674 39.639 39.000 -0.057 0.000 1.086 49 F HN 0.333 nan 8.300 nan 0.000 0.564 50 P HA 0.152 nan 4.420 nan 0.000 0.267 50 P C -1.072 176.169 177.300 -0.097 0.000 1.205 50 P CA 0.017 62.944 63.100 -0.289 0.000 0.765 50 P CB 0.631 32.166 31.700 -0.276 0.000 0.828 51 T N -2.246 112.303 114.554 -0.008 0.000 2.906 51 T HA 0.567 4.914 4.350 -0.006 0.000 0.295 51 T C 1.184 175.429 174.700 -0.758 0.000 1.061 51 T CA -0.488 61.505 62.100 -0.179 0.000 1.000 51 T CB 1.432 70.247 68.868 -0.090 0.000 1.103 51 T HN 0.208 nan 8.240 nan 0.000 0.486 52 E N 1.493 120.911 120.200 -1.303 0.000 2.118 52 E HA 0.014 4.360 4.350 -0.006 0.000 0.195 52 E C 2.143 178.290 176.600 -0.755 0.000 0.992 52 E CA 1.871 57.251 56.400 -1.699 0.000 0.804 52 E CB -1.423 27.450 29.700 -1.378 0.000 0.741 52 E HN 0.962 nan 8.360 nan 0.000 0.458 53 G N 0.220 108.746 108.800 -0.455 0.000 2.404 53 G HA2 -0.072 3.885 3.960 -0.006 0.000 0.215 53 G HA3 -0.072 3.885 3.960 -0.006 0.000 0.215 53 G C 1.855 176.629 174.900 -0.211 0.000 1.174 53 G CA 0.936 45.876 45.100 -0.267 0.000 0.780 53 G HN 0.482 nan 8.290 nan 0.000 0.537 54 I N -0.040 120.411 120.570 -0.198 0.000 2.439 54 I HA -0.125 4.041 4.170 -0.006 0.000 0.251 54 I C 2.839 178.868 176.117 -0.146 0.000 1.139 54 I CA 0.224 61.436 61.300 -0.147 0.000 1.438 54 I CB -0.152 37.779 38.000 -0.115 0.000 1.085 54 I HN 0.294 nan 8.210 nan 0.000 0.427 55 c N 0.763 119.264 118.600 -0.165 0.000 2.388 55 c HA -0.261 4.305 4.570 -0.006 0.000 0.277 55 c C 3.208 177.240 174.090 -0.097 0.000 1.210 55 c CA 1.468 57.741 56.329 -0.093 0.000 1.743 55 c CB -1.013 41.515 42.510 0.029 0.000 2.047 55 c HN 0.593 nan 8.230 nan 0.000 0.458 56 A N -0.949 121.789 122.820 -0.137 0.000 1.908 56 A HA -0.271 4.045 4.320 -0.006 0.000 0.218 56 A C 2.207 179.744 177.584 -0.077 0.000 1.181 56 A CA 1.979 53.955 52.037 -0.102 0.000 0.627 56 A CB -0.966 17.956 19.000 -0.129 0.000 0.818 56 A HN 0.829 nan 8.150 nan 0.000 0.445 57 Q N -0.696 119.049 119.800 -0.092 0.000 2.226 57 Q HA -0.113 4.223 4.340 -0.006 0.000 0.204 57 Q C 1.806 177.775 176.000 -0.052 0.000 0.975 57 Q CA 1.196 56.955 55.803 -0.073 0.000 0.866 57 Q CB -0.008 28.679 28.738 -0.085 0.000 0.915 57 Q HN 0.668 nan 8.270 nan 0.000 0.440 58 R N -1.416 119.053 120.500 -0.050 0.000 2.334 58 R HA 0.112 4.448 4.340 -0.006 0.000 0.216 58 R C 0.733 177.100 176.300 0.112 0.000 0.905 58 R CA 0.503 56.605 56.100 0.004 0.000 1.064 58 R CB 0.624 30.876 30.300 -0.080 0.000 1.046 58 R HN 0.341 nan 8.270 nan 0.000 0.508 59 G N 1.189 110.014 108.800 0.042 0.000 2.225 59 G HA2 -0.283 3.673 3.960 -0.006 0.000 0.264 59 G HA3 -0.283 3.673 3.960 -0.006 0.000 0.264 59 G C 0.072 175.025 174.900 0.088 0.000 1.060 59 G CA 0.055 45.187 45.100 0.052 0.000 0.833 59 G HN 0.331 nan 8.290 nan 0.000 0.498 60 c N -1.196 117.412 118.600 0.014 0.000 2.451 60 c HA 0.800 5.366 4.570 -0.006 0.000 0.391 60 c C 1.306 175.320 174.090 -0.126 0.000 1.286 60 c CA -0.318 55.971 56.329 -0.066 0.000 1.935 60 c CB 1.618 44.004 42.510 -0.208 0.000 2.188 60 c HN 0.907 nan 8.230 nan 0.000 0.523 61 c N 2.609 121.022 118.600 -0.312 0.000 2.347 61 c HA 0.541 5.107 4.570 -0.006 0.000 0.353 61 c C -0.313 173.560 174.090 -0.361 0.000 1.273 61 c CA -0.449 55.632 56.329 -0.414 0.000 1.861 61 c CB -0.835 41.228 42.510 -0.744 0.000 2.420 61 c HN 0.888 nan 8.230 nan 0.000 0.542 62 W N 8.139 129.269 121.300 -0.283 0.000 2.294 62 W HA 0.537 5.192 4.660 -0.009 0.000 0.314 62 W C -0.369 176.110 176.519 -0.066 0.000 1.044 62 W CA -0.597 56.660 57.345 -0.146 0.000 1.284 62 W CB 0.559 29.964 29.460 -0.091 0.000 1.231 62 W HN 0.802 nan 8.180 nan 0.000 0.419 63 R N 7.026 127.176 120.500 -0.583 0.000 3.107 63 R HA 0.235 4.571 4.340 -0.006 0.000 0.251 63 R C -2.640 173.386 176.300 -0.457 0.000 1.818 63 R CA -1.183 54.692 56.100 -0.376 0.000 1.228 63 R CB 1.493 31.808 30.300 0.024 0.000 1.459 63 R HN 0.175 nan 8.270 nan 0.000 0.520 64 P HA 0.102 nan 4.420 nan 0.000 0.274 64 P C -1.005 175.900 177.300 -0.657 0.000 1.260 64 P CA -0.282 62.105 63.100 -1.187 0.000 0.793 64 P CB 0.652 31.543 31.700 -1.347 0.000 1.048 65 W N 0.055 120.693 121.300 -1.103 0.000 3.047 65 W HA 0.146 4.802 4.660 -0.008 0.000 0.341 65 W C 0.249 176.631 176.519 -0.228 0.000 1.225 65 W CA -0.522 56.577 57.345 -0.411 0.000 1.150 65 W CB 1.732 31.111 29.460 -0.136 0.000 1.470 65 W HN 0.261 nan 8.180 nan 0.000 0.578 66 N N 1.009 119.275 118.700 -0.723 0.000 2.309 66 N HA -0.106 4.630 4.740 -0.006 0.000 0.182 66 N C -0.181 175.313 175.510 -0.027 0.000 1.018 66 N CA 1.415 54.233 53.050 -0.387 0.000 0.876 66 N CB -0.014 38.187 38.487 -0.477 0.000 0.972 66 N HN 0.415 nan 8.380 nan 0.000 0.434 67 D N -2.119 118.407 120.400 0.211 0.000 2.553 67 D HA 0.424 5.060 4.640 -0.006 0.000 0.249 67 D C -0.087 176.450 176.300 0.395 0.000 1.062 67 D CA -0.903 53.259 54.000 0.269 0.000 1.085 67 D CB 0.722 41.634 40.800 0.186 0.000 1.350 67 D HN -0.075 nan 8.370 nan 0.000 0.575 68 S N -1.100 114.705 115.700 0.175 0.000 2.664 68 S HA 0.214 4.680 4.470 -0.006 0.000 0.245 68 S C 1.045 175.526 174.600 -0.198 0.000 1.019 68 S CA -0.596 57.585 58.200 -0.032 0.000 0.996 68 S CB -0.620 62.544 63.200 -0.061 0.000 0.878 68 S HN 0.485 nan 8.310 nan 0.000 0.493 69 L N 0.216 121.301 121.223 -0.231 0.000 2.102 69 L HA 0.330 4.666 4.340 -0.006 0.000 0.202 69 L C 0.415 176.653 176.870 -1.053 0.000 1.076 69 L CA 0.526 55.041 54.840 -0.540 0.000 0.761 69 L CB -0.334 41.406 42.059 -0.531 0.000 0.921 69 L HN 0.317 nan 8.230 nan 0.000 0.444 70 I N 1.026 121.074 120.570 -0.870 0.000 2.556 70 I HA 0.058 4.224 4.170 -0.006 0.000 0.284 70 I C -2.031 173.782 176.117 -0.507 0.000 1.114 70 I CA -1.536 59.202 61.300 -0.936 0.000 1.418 70 I CB 0.083 37.603 38.000 -0.800 0.000 1.394 70 I HN -0.174 nan 8.210 nan 0.000 0.552 71 P HA -0.066 nan 4.420 nan 0.000 0.265 71 P C -0.332 177.004 177.300 0.060 0.000 1.193 71 P CA 0.022 62.995 63.100 -0.212 0.000 0.765 71 P CB 0.280 31.907 31.700 -0.121 0.000 0.823 72 W N 1.498 122.679 121.300 -0.198 0.000 2.704 72 W HA 0.193 4.847 4.660 -0.010 0.000 0.266 72 W C 0.475 176.845 176.519 -0.249 0.000 1.266 72 W CA -0.139 57.017 57.345 -0.316 0.000 1.377 72 W CB -0.618 28.493 29.460 -0.581 0.000 1.082 72 W HN 0.249 nan 8.180 nan 0.000 0.608 73 c N 2.646 121.350 118.600 0.173 0.000 2.322 73 c HA 0.698 5.264 4.570 -0.006 0.000 0.324 73 c C -0.619 173.504 174.090 0.055 0.000 1.249 73 c CA -0.950 55.451 56.329 0.119 0.000 1.453 73 c CB -1.466 41.168 42.510 0.206 0.000 2.145 73 c HN 0.093 nan 8.230 nan 0.000 0.466 74 F N 3.202 123.067 119.950 -0.142 0.000 2.588 74 F HA 0.766 5.288 4.527 -0.008 0.000 0.310 74 F C -0.884 174.820 175.800 -0.159 0.000 1.082 74 F CA -1.518 56.360 58.000 -0.203 0.000 0.929 74 F CB 0.533 39.494 39.000 -0.065 0.000 1.254 74 F HN 0.452 nan 8.300 nan 0.000 0.455 75 F N 2.135 122.160 119.950 0.125 0.000 2.506 75 F HA 0.508 5.032 4.527 -0.005 0.000 0.371 75 F C 1.211 177.115 175.800 0.174 0.000 1.078 75 F CA -0.293 57.763 58.000 0.092 0.000 1.195 75 F CB -0.095 38.961 39.000 0.094 0.000 1.099 75 F HN 0.673 nan 8.300 nan 0.000 0.548 76 V N 1.894 121.976 119.914 0.279 0.000 2.320 76 V HA 0.088 4.205 4.120 -0.006 0.000 0.219 76 V C 1.091 177.318 176.094 0.222 0.000 1.055 76 V CA 1.709 64.171 62.300 0.271 0.000 1.054 76 V CB -0.976 30.951 31.823 0.174 0.000 0.671 76 V HN 0.794 nan 8.190 nan 0.000 0.474 77 D N 0.016 120.511 120.400 0.157 0.000 2.963 77 D HA 0.392 5.028 4.640 -0.006 0.000 0.361 77 D C 0.500 176.871 176.300 0.117 0.000 1.317 77 D CA 0.213 54.286 54.000 0.121 0.000 0.832 77 D CB -0.731 40.112 40.800 0.073 0.000 1.135 77 D HN 0.644 nan 8.370 nan 0.000 0.476 78 N N -0.776 118.040 118.700 0.193 0.000 2.368 78 N HA 0.059 4.795 4.740 -0.006 0.000 0.178 78 N C -0.312 175.248 175.510 0.083 0.000 1.076 78 N CA 0.262 53.401 53.050 0.147 0.000 0.889 78 N CB 0.676 39.275 38.487 0.186 0.000 1.040 78 N HN 0.464 nan 8.380 nan 0.000 0.463 79 H N -0.573 118.555 119.070 0.097 0.000 2.651 79 H HA 0.718 5.270 4.556 -0.006 0.000 0.353 79 H C 0.679 176.007 175.328 0.001 0.000 1.178 79 H CA 0.218 56.290 56.048 0.041 0.000 1.224 79 H CB 2.005 31.793 29.762 0.043 0.000 1.702 79 H HN 0.210 nan 8.280 nan 0.000 0.550 80 G N -0.375 108.502 108.800 0.130 0.000 2.357 80 G HA2 0.132 4.088 3.960 -0.006 0.000 0.289 80 G HA3 0.132 4.088 3.960 -0.006 0.000 0.289 80 G C -2.213 172.772 174.900 0.142 0.000 1.302 80 G CA -0.929 44.288 45.100 0.196 0.000 0.936 80 G HN 0.380 nan 8.290 nan 0.000 0.513 81 Y N 0.206 120.553 120.300 0.078 0.000 2.545 81 Y HA 0.676 5.222 4.550 -0.007 0.000 0.348 81 Y C 0.211 176.150 175.900 0.064 0.000 1.002 81 Y CA -1.125 57.001 58.100 0.043 0.000 1.039 81 Y CB 2.403 40.854 38.460 -0.015 0.000 1.271 81 Y HN 0.525 nan 8.280 nan 0.000 0.467 82 N N 0.491 119.284 118.700 0.154 0.000 2.370 82 N HA 0.427 5.163 4.740 -0.006 0.000 0.303 82 N C -1.257 174.304 175.510 0.086 0.000 1.103 82 N CA -0.660 52.456 53.050 0.110 0.000 0.848 82 N CB 2.582 41.098 38.487 0.048 0.000 1.235 82 N HN 0.470 nan 8.380 nan 0.000 0.496 83 V N 1.308 121.269 119.914 0.080 0.000 2.530 83 V HA 0.394 4.510 4.120 -0.006 0.000 0.282 83 V C -0.719 175.395 176.094 0.032 0.000 1.048 83 V CA -0.129 62.196 62.300 0.042 0.000 0.997 83 V CB 0.525 32.385 31.823 0.061 0.000 0.987 83 V HN 0.749 nan 8.190 nan 0.000 0.477 84 Q N 3.424 123.237 119.800 0.022 0.000 2.303 84 Q HA 0.597 4.934 4.340 -0.006 0.000 0.267 84 Q C -0.599 175.412 176.000 0.018 0.000 1.011 84 Q CA 0.007 55.821 55.803 0.018 0.000 0.740 84 Q CB 1.108 29.853 28.738 0.012 0.000 1.250 84 Q HN 1.236 nan 8.270 nan 0.000 0.458 85 D N 2.569 122.981 120.400 0.021 0.000 5.989 85 D HA -0.150 4.486 4.640 -0.006 0.000 0.236 85 D C -1.271 175.049 176.300 0.034 0.000 1.693 85 D CA 1.119 55.133 54.000 0.023 0.000 1.470 85 D CB -0.315 40.495 40.800 0.017 0.000 0.653 85 D HN 0.867 nan 8.370 nan 0.000 0.358 86 M N 2.216 121.841 119.600 0.042 0.000 2.386 86 M HA 0.720 5.196 4.480 -0.006 0.000 0.293 86 M C -0.621 175.711 176.300 0.054 0.000 1.120 86 M CA -0.209 55.128 55.300 0.061 0.000 0.909 86 M CB 2.402 35.057 32.600 0.090 0.000 1.661 86 M HN 0.390 nan 8.290 nan 0.000 0.452 87 T N -0.758 113.828 114.554 0.054 0.000 2.927 87 T HA 0.763 5.109 4.350 -0.006 0.000 0.286 87 T C -0.368 174.362 174.700 0.051 0.000 1.040 87 T CA -0.653 61.473 62.100 0.043 0.000 1.010 87 T CB 1.838 70.723 68.868 0.029 0.000 1.177 87 T HN 0.730 nan 8.240 nan 0.000 0.546 88 T N 2.083 116.662 114.554 0.042 0.000 2.824 88 T HA 0.648 4.994 4.350 -0.006 0.000 0.280 88 T C 0.457 175.178 174.700 0.035 0.000 0.995 88 T CA -0.622 61.505 62.100 0.045 0.000 1.009 88 T CB 1.256 70.149 68.868 0.041 0.000 0.955 88 T HN 1.023 nan 8.240 nan 0.000 0.452 89 T N -1.333 113.244 114.554 0.039 0.000 2.919 89 T HA 0.409 4.756 4.350 -0.006 0.000 0.282 89 T C 1.710 176.434 174.700 0.039 0.000 1.020 89 T CA -0.261 61.857 62.100 0.030 0.000 0.994 89 T CB 1.004 69.885 68.868 0.022 0.000 1.180 89 T HN 0.405 nan 8.240 nan 0.000 0.566 90 S N 0.295 116.014 115.700 0.031 0.000 2.382 90 S HA -0.093 4.373 4.470 -0.006 0.000 0.228 90 S C 1.788 176.430 174.600 0.070 0.000 1.027 90 S CA 1.148 59.370 58.200 0.037 0.000 0.991 90 S CB -0.881 62.328 63.200 0.015 0.000 0.823 90 S HN 0.646 nan 8.310 nan 0.000 0.469 91 I N 1.063 121.686 120.570 0.089 0.000 2.867 91 I HA 0.395 4.561 4.170 -0.006 0.000 0.265 91 I C 1.653 177.866 176.117 0.161 0.000 1.162 91 I CA 0.761 62.160 61.300 0.165 0.000 1.471 91 I CB -0.240 37.883 38.000 0.204 0.000 1.123 91 I HN 0.527 nan 8.210 nan 0.000 0.440 92 G N -0.448 108.421 108.800 0.116 0.000 2.825 92 G HA2 0.480 4.436 3.960 -0.006 0.000 0.100 92 G HA3 0.480 4.436 3.960 -0.006 0.000 0.100 92 G C -1.410 173.546 174.900 0.093 0.000 1.195 92 G CA -0.146 45.030 45.100 0.127 0.000 1.317 92 G HN -0.204 nan 8.290 nan 0.000 0.632 93 V N 0.739 120.698 119.914 0.076 0.000 2.733 93 V HA 0.614 4.730 4.120 -0.006 0.000 0.306 93 V C -0.922 175.188 176.094 0.027 0.000 1.084 93 V CA -0.666 61.684 62.300 0.083 0.000 0.905 93 V CB 1.720 33.643 31.823 0.167 0.000 1.010 93 V HN 0.558 nan 8.190 nan 0.000 0.424 94 E N 1.790 122.014 120.200 0.040 0.000 2.214 94 E HA 0.861 5.208 4.350 -0.006 0.000 0.274 94 E C -0.191 176.469 176.600 0.101 0.000 0.977 94 E CA -0.226 56.189 56.400 0.026 0.000 0.827 94 E CB 2.222 31.923 29.700 0.001 0.000 1.130 94 E HN 1.210 nan 8.360 nan 0.000 0.394 95 A N 1.607 124.507 122.820 0.132 0.000 2.459 95 A HA 0.576 4.892 4.320 -0.006 0.000 0.296 95 A C -0.658 176.956 177.584 0.050 0.000 1.039 95 A CA -0.868 51.248 52.037 0.131 0.000 0.698 95 A CB 1.575 20.714 19.000 0.232 0.000 1.261 95 A HN 0.295 nan 8.150 nan 0.000 0.405 96 K N 1.918 122.327 120.400 0.015 0.000 2.227 96 K HA 0.657 4.974 4.320 -0.006 0.000 0.280 96 K C -0.572 176.010 176.600 -0.031 0.000 1.041 96 K CA -0.235 56.043 56.287 -0.014 0.000 0.905 96 K CB 1.004 33.503 32.500 -0.003 0.000 1.068 96 K HN 0.565 nan 8.250 nan 0.000 0.470 97 L N 2.572 123.761 121.223 -0.056 0.000 2.334 97 L HA 0.529 4.865 4.340 -0.006 0.000 0.276 97 L C -0.035 176.905 176.870 0.117 0.000 1.014 97 L CA -0.789 54.037 54.840 -0.023 0.000 0.815 97 L CB 1.940 43.879 42.059 -0.200 0.000 1.268 97 L HN 0.685 nan 8.230 nan 0.000 0.428 98 N N 1.074 119.856 118.700 0.137 0.000 2.258 98 N HA 0.355 5.091 4.740 -0.006 0.000 0.299 98 N C -0.994 174.432 175.510 -0.141 0.000 1.047 98 N CA -0.942 52.140 53.050 0.054 0.000 0.814 98 N CB 2.234 40.720 38.487 -0.002 0.000 1.413 98 N HN 0.455 nan 8.380 nan 0.000 0.478 99 R N 2.776 123.035 120.500 -0.401 0.000 2.404 99 R HA 0.154 4.490 4.340 -0.006 0.000 0.315 99 R C -0.258 175.810 176.300 -0.386 0.000 1.032 99 R CA -0.144 55.467 56.100 -0.815 0.000 0.992 99 R CB 0.073 29.993 30.300 -0.634 0.000 0.959 99 R HN 0.550 nan 8.270 nan 0.000 0.428 100 I N 8.101 128.474 120.570 -0.328 0.000 2.742 100 I HA -0.032 4.134 4.170 -0.006 0.000 0.287 100 I C -1.499 174.499 176.117 -0.199 0.000 1.186 100 I CA -1.286 59.902 61.300 -0.185 0.000 1.417 100 I CB 0.632 38.557 38.000 -0.125 0.000 1.377 100 I HN 0.447 nan 8.210 nan 0.000 0.556 101 P HA 0.075 nan 4.420 nan 0.000 0.218 101 P C -0.230 176.983 177.300 -0.146 0.000 1.793 101 P CA -0.335 62.685 63.100 -0.134 0.000 0.941 101 P CB -0.348 31.297 31.700 -0.092 0.000 1.919 102 S N 0.824 116.389 115.700 -0.225 0.000 2.641 102 S HA 0.552 5.018 4.470 -0.006 0.000 0.261 102 S C -2.174 172.315 174.600 -0.185 0.000 1.257 102 S CA -1.207 56.814 58.200 -0.299 0.000 0.983 102 S CB -0.872 61.890 63.200 -0.730 0.000 0.990 102 S HN 0.064 nan 8.310 nan 0.000 0.572 103 P HA 0.269 nan 4.420 nan 0.000 0.272 103 P C 0.003 177.351 177.300 0.079 0.000 1.240 103 P CA -0.374 62.719 63.100 -0.011 0.000 0.791 103 P CB 0.061 31.765 31.700 0.008 0.000 0.978 104 T N 0.429 115.018 114.554 0.058 0.000 2.860 104 T HA 0.134 4.480 4.350 -0.006 0.000 0.299 104 T C 1.093 175.805 174.700 0.021 0.000 1.045 104 T CA -0.049 62.097 62.100 0.076 0.000 1.071 104 T CB -0.009 68.888 68.868 0.050 0.000 0.985 104 T HN 0.125 nan 8.240 nan 0.000 0.537 105 L N 1.954 123.159 121.223 -0.029 0.000 2.296 105 L HA 0.427 4.764 4.340 -0.006 0.000 0.193 105 L C 1.019 177.495 176.870 -0.656 0.000 1.123 105 L CA 1.261 55.877 54.840 -0.374 0.000 0.805 105 L CB -0.049 41.798 42.059 -0.353 0.000 1.004 105 L HN 0.721 nan 8.230 nan 0.000 0.478 106 F N -0.335 119.604 119.950 -0.018 0.000 2.764 106 F HA 0.560 5.082 4.527 -0.008 0.000 0.310 106 F C 0.897 176.736 175.800 0.065 0.000 1.124 106 F CA -0.055 57.952 58.000 0.012 0.000 1.252 106 F CB 0.014 39.018 39.000 0.006 0.000 1.010 106 F HN 0.114 nan 8.300 nan 0.000 0.518 107 G N 0.803 109.702 108.800 0.165 0.000 2.814 107 G HA2 -0.257 3.700 3.960 -0.006 0.000 0.677 107 G HA3 -0.257 3.700 3.960 -0.006 0.000 0.677 107 G C -0.046 174.952 174.900 0.165 0.000 1.429 107 G CA -0.468 44.715 45.100 0.138 0.000 0.868 107 G HN 0.517 nan 8.290 nan 0.000 0.553 108 N N -0.205 118.573 118.700 0.129 0.000 2.714 108 N HA -0.162 4.575 4.740 -0.006 0.000 0.253 108 N C -0.103 175.506 175.510 0.165 0.000 1.024 108 N CA 1.434 54.563 53.050 0.131 0.000 0.726 108 N CB -0.849 37.712 38.487 0.125 0.000 0.908 108 N HN 0.936 nan 8.380 nan 0.000 0.542 109 D N 0.188 120.688 120.400 0.168 0.000 2.361 109 D HA 0.351 4.987 4.640 -0.006 0.000 0.239 109 D C 0.505 176.929 176.300 0.206 0.000 1.200 109 D CA 0.245 54.371 54.000 0.210 0.000 0.915 109 D CB 0.966 41.874 40.800 0.181 0.000 1.170 109 D HN 0.215 nan 8.370 nan 0.000 0.444 110 I N 1.800 122.537 120.570 0.279 0.000 2.382 110 I HA 0.147 4.313 4.170 -0.006 0.000 0.285 110 I C 0.796 177.059 176.117 0.243 0.000 1.007 110 I CA -0.496 60.952 61.300 0.247 0.000 1.142 110 I CB 1.202 39.384 38.000 0.303 0.000 1.289 110 I HN 0.301 nan 8.210 nan 0.000 0.453 111 N N 2.513 121.296 118.700 0.139 0.000 2.270 111 N HA -0.062 4.675 4.740 -0.006 0.000 0.181 111 N C 0.523 176.098 175.510 0.109 0.000 1.016 111 N CA 0.774 53.870 53.050 0.076 0.000 0.870 111 N CB 0.346 38.848 38.487 0.025 0.000 0.979 111 N HN 0.394 nan 8.380 nan 0.000 0.431 112 S N 0.875 116.637 115.700 0.104 0.000 2.640 112 S HA 0.489 4.955 4.470 -0.006 0.000 0.320 112 S C -0.702 173.911 174.600 0.022 0.000 1.097 112 S CA -0.507 57.732 58.200 0.064 0.000 1.092 112 S CB 0.783 64.002 63.200 0.032 0.000 0.988 112 S HN -0.173 nan 8.310 nan 0.000 0.470 113 V N 4.950 124.852 119.914 -0.020 0.000 2.876 113 V HA 0.636 4.752 4.120 -0.006 0.000 0.312 113 V C -0.911 175.069 176.094 -0.190 0.000 1.085 113 V CA -0.917 61.265 62.300 -0.196 0.000 0.945 113 V CB 2.045 33.609 31.823 -0.433 0.000 1.017 113 V HN 0.742 nan 8.190 nan 0.000 0.428 114 L N 3.924 125.024 121.223 -0.205 0.000 2.325 114 L HA 0.660 4.996 4.340 -0.006 0.000 0.281 114 L C -1.107 175.708 176.870 -0.093 0.000 1.004 114 L CA -0.106 54.661 54.840 -0.122 0.000 0.823 114 L CB 1.194 43.202 42.059 -0.086 0.000 1.236 114 L HN 0.571 nan 8.230 nan 0.000 0.415 115 F N 4.376 124.197 119.950 -0.216 0.000 2.408 115 F HA 0.755 5.278 4.527 -0.007 0.000 0.344 115 F C -0.449 175.319 175.800 -0.053 0.000 1.112 115 F CA 0.043 57.946 58.000 -0.161 0.000 1.096 115 F CB 1.355 40.188 39.000 -0.278 0.000 1.129 115 F HN 0.577 nan 8.300 nan 0.000 0.486 116 T N 4.136 118.255 114.554 -0.724 0.000 2.916 116 T HA 0.415 4.761 4.350 -0.006 0.000 0.298 116 T C -0.766 173.537 174.700 -0.662 0.000 1.031 116 T CA -0.643 61.136 62.100 -0.535 0.000 0.993 116 T CB 1.691 70.398 68.868 -0.268 0.000 1.045 116 T HN 0.574 nan 8.240 nan 0.000 0.454 117 T N 3.309 117.610 114.554 -0.422 0.000 2.856 117 T HA 0.543 4.889 4.350 -0.006 0.000 0.283 117 T C -0.877 173.756 174.700 -0.111 0.000 1.008 117 T CA -0.685 61.279 62.100 -0.226 0.000 0.997 117 T CB 1.289 70.198 68.868 0.069 0.000 0.992 117 T HN 0.493 nan 8.240 nan 0.000 0.454 118 Q N 2.596 122.287 119.800 -0.182 0.000 2.275 118 Q HA 0.327 4.663 4.340 -0.006 0.000 0.266 118 Q C -0.909 175.067 176.000 -0.041 0.000 1.002 118 Q CA -0.856 54.904 55.803 -0.071 0.000 0.761 118 Q CB 1.426 30.087 28.738 -0.128 0.000 1.255 118 Q HN 0.450 nan 8.270 nan 0.000 0.446 119 N N 3.234 122.034 118.700 0.166 0.000 2.605 119 N HA 0.024 4.761 4.740 -0.006 0.000 0.258 119 N C 0.394 175.930 175.510 0.043 0.000 1.156 119 N CA 0.297 53.517 53.050 0.284 0.000 1.008 119 N CB 0.836 39.532 38.487 0.349 0.000 1.354 119 N HN 0.603 nan 8.380 nan 0.000 0.509 120 Q N -0.019 119.645 119.800 -0.226 0.000 2.020 120 Q HA -0.043 4.293 4.340 -0.006 0.000 0.198 120 Q C 0.850 176.682 176.000 -0.280 0.000 0.974 120 Q CA 1.027 56.375 55.803 -0.758 0.000 0.829 120 Q CB 0.202 28.464 28.738 -0.795 0.000 0.894 120 Q HN 0.611 nan 8.270 nan 0.000 0.433 121 T N -3.509 111.030 114.554 -0.024 0.000 2.865 121 T HA 0.290 4.636 4.350 -0.006 0.000 0.294 121 T C -2.524 172.274 174.700 0.164 0.000 1.119 121 T CA -2.000 60.141 62.100 0.068 0.000 1.007 121 T CB 1.688 70.579 68.868 0.039 0.000 1.225 121 T HN -0.265 nan 8.240 nan 0.000 0.515 122 P HA 0.083 nan 4.420 nan 0.000 0.228 122 P C 0.855 178.246 177.300 0.152 0.000 1.151 122 P CA 0.801 63.925 63.100 0.039 0.000 0.770 122 P CB 0.078 31.781 31.700 0.005 0.000 0.786 123 N N -1.036 117.797 118.700 0.221 0.000 2.332 123 N HA 0.064 4.800 4.740 -0.006 0.000 0.190 123 N C 0.577 176.230 175.510 0.238 0.000 1.117 123 N CA 0.102 53.287 53.050 0.225 0.000 0.883 123 N CB 0.780 39.335 38.487 0.112 0.000 1.089 123 N HN 0.236 nan 8.380 nan 0.000 0.480 124 R N 0.016 120.637 120.500 0.202 0.000 2.561 124 R HA 0.374 4.710 4.340 -0.006 0.000 0.297 124 R C -1.451 174.811 176.300 -0.064 0.000 0.969 124 R CA -0.644 55.490 56.100 0.057 0.000 0.879 124 R CB 0.977 31.301 30.300 0.040 0.000 1.178 124 R HN -0.208 nan 8.270 nan 0.000 0.445 125 F N 2.846 122.495 119.950 -0.502 0.000 2.458 125 F HA 0.592 5.115 4.527 -0.007 0.000 0.330 125 F C -0.733 174.883 175.800 -0.307 0.000 1.082 125 F CA -1.149 56.490 58.000 -0.601 0.000 0.995 125 F CB 1.671 40.037 39.000 -1.056 0.000 1.170 125 F HN 0.619 nan 8.300 nan 0.000 0.478 126 R N 6.413 126.131 120.500 -1.304 0.000 2.574 126 R HA 0.459 4.795 4.340 -0.006 0.000 0.288 126 R C -2.087 173.456 176.300 -1.262 0.000 1.004 126 R CA -0.579 54.792 56.100 -1.215 0.000 0.895 126 R CB 1.452 31.164 30.300 -0.981 0.000 1.191 126 R HN 0.739 nan 8.270 nan 0.000 0.444 127 F N 2.141 121.486 119.950 -1.008 0.000 2.577 127 F HA 0.682 5.205 4.527 -0.007 0.000 0.318 127 F C -1.356 174.218 175.800 -0.377 0.000 1.065 127 F CA -0.886 56.739 58.000 -0.625 0.000 0.929 127 F CB 1.513 40.363 39.000 -0.251 0.000 1.237 127 F HN 0.473 nan 8.300 nan 0.000 0.468 128 K N 2.941 123.223 120.400 -0.198 0.000 2.532 128 K HA 0.765 5.081 4.320 -0.006 0.000 0.265 128 K C -2.089 174.524 176.600 0.022 0.000 0.948 128 K CA -0.868 55.333 56.287 -0.143 0.000 0.842 128 K CB 2.740 35.090 32.500 -0.251 0.000 1.392 128 K HN 0.857 nan 8.250 nan 0.000 0.436 129 I N 2.412 123.038 120.570 0.093 0.000 2.439 129 I HA 0.279 4.445 4.170 -0.006 0.000 0.285 129 I C -0.581 175.499 176.117 -0.061 0.000 1.021 129 I CA -0.498 60.822 61.300 0.034 0.000 1.091 129 I CB 2.210 40.280 38.000 0.116 0.000 1.242 129 I HN 0.922 nan 8.210 nan 0.000 0.439 130 T N 0.225 114.673 114.554 -0.176 0.000 2.907 130 T HA 0.413 4.759 4.350 -0.006 0.000 0.290 130 T C -0.804 173.775 174.700 -0.201 0.000 1.066 130 T CA -0.847 61.186 62.100 -0.111 0.000 1.012 130 T CB 2.333 71.172 68.868 -0.047 0.000 1.184 130 T HN 0.303 nan 8.240 nan 0.000 0.522 131 D N 1.318 121.692 120.400 -0.042 0.000 2.347 131 D HA 0.392 5.028 4.640 -0.006 0.000 0.235 131 D C -1.567 174.728 176.300 -0.009 0.000 1.149 131 D CA -2.391 51.601 54.000 -0.013 0.000 0.850 131 D CB 1.566 42.429 40.800 0.104 0.000 1.061 131 D HN 0.176 nan 8.370 nan 0.000 0.487 132 P HA -0.022 nan 4.420 nan 0.000 0.217 132 P C 0.363 177.664 177.300 0.003 0.000 1.151 132 P CA 0.711 63.801 63.100 -0.016 0.000 0.828 132 P CB 0.313 32.000 31.700 -0.022 0.000 0.788 133 N N -0.249 118.459 118.700 0.014 0.000 2.322 133 N HA 0.070 4.806 4.740 -0.006 0.000 0.216 133 N C -0.147 175.383 175.510 0.034 0.000 1.144 133 N CA 0.251 53.315 53.050 0.023 0.000 0.830 133 N CB -0.312 38.190 38.487 0.025 0.000 1.034 133 N HN 0.182 nan 8.380 nan 0.000 0.484 134 N N -0.272 118.451 118.700 0.038 0.000 2.827 134 N HA 0.105 4.841 4.740 -0.006 0.000 0.248 134 N C -1.048 174.494 175.510 0.053 0.000 1.074 134 N CA -0.357 52.723 53.050 0.050 0.000 1.042 134 N CB 0.718 39.245 38.487 0.067 0.000 1.684 134 N HN 0.059 nan 8.380 nan 0.000 0.542 135 R N 2.865 123.395 120.500 0.049 0.000 2.309 135 R HA 0.465 4.801 4.340 -0.006 0.000 0.331 135 R C 0.281 176.626 176.300 0.076 0.000 1.116 135 R CA -0.133 55.996 56.100 0.049 0.000 0.970 135 R CB -0.750 29.572 30.300 0.036 0.000 1.024 135 R HN 0.634 nan 8.270 nan 0.000 0.472 136 R N 1.152 121.706 120.500 0.090 0.000 2.637 136 R HA 0.202 4.538 4.340 -0.006 0.000 0.269 136 R C -0.186 176.193 176.300 0.131 0.000 1.089 136 R CA -0.617 55.559 56.100 0.128 0.000 1.177 136 R CB 0.499 30.891 30.300 0.153 0.000 1.091 136 R HN 0.725 nan 8.270 nan 0.000 0.540 137 Y N 1.451 121.785 120.300 0.056 0.000 2.620 137 Y HA -0.061 4.486 4.550 -0.006 0.000 0.330 137 Y C -0.478 175.432 175.900 0.018 0.000 1.186 137 Y CA 0.577 58.703 58.100 0.042 0.000 1.467 137 Y CB 0.495 38.992 38.460 0.063 0.000 1.262 137 Y HN 0.410 nan 8.280 nan 0.000 0.550 138 E N 5.251 125.052 120.200 -0.664 0.000 2.224 138 E HA 0.283 4.629 4.350 -0.006 0.000 0.265 138 E C -1.073 174.955 176.600 -0.952 0.000 0.878 138 E CA -1.150 54.856 56.400 -0.657 0.000 0.759 138 E CB 2.185 31.703 29.700 -0.303 0.000 1.164 138 E HN 0.484 nan 8.360 nan 0.000 0.414 139 V N 4.883 124.313 119.914 -0.807 0.000 2.583 139 V HA -0.044 4.072 4.120 -0.006 0.000 0.302 139 V C -1.625 174.264 176.094 -0.341 0.000 1.033 139 V CA -0.260 61.741 62.300 -0.499 0.000 1.194 139 V CB -0.416 31.316 31.823 -0.152 0.000 0.879 139 V HN 0.602 nan 8.190 nan 0.000 0.482 140 P HA 0.129 nan 4.420 nan 0.000 0.214 140 P C 0.169 177.198 177.300 -0.452 0.000 1.826 140 P CA -0.305 62.515 63.100 -0.466 0.000 0.977 140 P CB -0.075 31.159 31.700 -0.776 0.000 1.930 141 H N 2.189 121.125 119.070 -0.225 0.000 2.929 141 H HA 0.012 4.564 4.556 -0.007 0.000 0.358 141 H C 0.894 176.237 175.328 0.026 0.000 1.111 141 H CA 0.822 56.854 56.048 -0.027 0.000 1.409 141 H CB 1.019 30.813 29.762 0.053 0.000 1.373 141 H HN 0.208 nan 8.280 nan 0.000 0.610 142 Q N 3.336 123.205 119.800 0.114 0.000 2.319 142 Q HA -0.050 4.286 4.340 -0.006 0.000 0.202 142 Q C 0.618 176.819 176.000 0.335 0.000 0.896 142 Q CA 0.420 56.333 55.803 0.183 0.000 0.942 142 Q CB 0.402 29.212 28.738 0.121 0.000 1.083 142 Q HN 0.709 nan 8.270 nan 0.000 0.510 143 Y N -0.724 119.847 120.300 0.451 0.000 2.769 143 Y HA 0.166 4.712 4.550 -0.007 0.000 0.266 143 Y C 0.522 176.481 175.900 0.098 0.000 1.091 143 Y CA -0.096 58.149 58.100 0.241 0.000 1.272 143 Y CB 0.658 39.249 38.460 0.219 0.000 1.469 143 Y HN -0.326 nan 8.280 nan 0.000 0.475 144 V N 4.400 124.450 119.914 0.227 0.000 2.536 144 V HA -0.090 4.026 4.120 -0.006 0.000 0.287 144 V C -0.120 175.949 176.094 -0.041 0.000 0.979 144 V CA 0.331 62.607 62.300 -0.040 0.000 1.161 144 V CB -0.833 30.851 31.823 -0.231 0.000 0.915 144 V HN 0.147 nan 8.190 nan 0.000 0.467 145 K N 3.455 123.798 120.400 -0.096 0.000 2.185 145 K HA 0.302 4.618 4.320 -0.006 0.000 0.271 145 K C 0.045 176.650 176.600 0.009 0.000 1.013 145 K CA -0.902 55.342 56.287 -0.071 0.000 0.943 145 K CB 1.345 33.777 32.500 -0.114 0.000 0.998 145 K HN 0.789 nan 8.250 nan 0.000 0.468 146 E N 0.708 120.912 120.200 0.007 0.000 2.392 146 E HA 0.163 4.509 4.350 -0.006 0.000 0.264 146 E C -1.104 175.552 176.600 0.094 0.000 1.024 146 E CA -0.223 56.200 56.400 0.038 0.000 0.903 146 E CB 0.169 29.867 29.700 -0.005 0.000 0.963 146 E HN 0.440 nan 8.360 nan 0.000 0.432 147 F N 2.985 122.911 119.950 -0.039 0.000 2.469 147 F HA 0.399 4.922 4.527 -0.006 0.000 0.332 147 F C 0.794 176.573 175.800 -0.035 0.000 1.103 147 F CA -0.006 57.974 58.000 -0.032 0.000 0.979 147 F CB 1.663 40.652 39.000 -0.019 0.000 1.137 147 F HN 0.517 nan 8.300 nan 0.000 0.463 148 T N 0.611 114.715 114.554 -0.749 0.000 3.029 148 T HA 0.616 4.962 4.350 -0.006 0.000 0.256 148 T C 0.384 174.679 174.700 -0.674 0.000 0.914 148 T CA 0.152 61.943 62.100 -0.515 0.000 0.880 148 T CB 0.182 68.888 68.868 -0.269 0.000 1.246 148 T HN 1.007 nan 8.240 nan 0.000 0.523 149 G N 1.848 109.990 108.800 -1.097 0.000 2.320 149 G HA2 0.537 4.493 3.960 -0.006 0.000 0.296 149 G HA3 0.537 4.493 3.960 -0.006 0.000 0.296 149 G C -3.183 171.424 174.900 -0.489 0.000 1.306 149 G CA -0.735 43.978 45.100 -0.645 0.000 0.836 149 G HN 0.191 nan 8.290 nan 0.000 0.517 150 P HA 0.411 nan 4.420 nan 0.000 0.278 150 P C 0.122 177.466 177.300 0.075 0.000 1.266 150 P CA -0.175 62.896 63.100 -0.048 0.000 0.807 150 P CB 0.993 32.691 31.700 -0.003 0.000 1.094 151 T N -1.437 113.157 114.554 0.067 0.000 2.817 151 T HA 0.322 4.668 4.350 -0.006 0.000 0.295 151 T C 0.188 174.959 174.700 0.117 0.000 0.958 151 T CA -0.495 61.675 62.100 0.118 0.000 1.157 151 T CB -1.233 67.677 68.868 0.071 0.000 0.898 151 T HN 0.417 nan 8.240 nan 0.000 0.536 152 V N 5.115 125.118 119.914 0.150 0.000 2.461 152 V HA 0.643 4.760 4.120 -0.006 0.000 0.275 152 V C 0.606 176.730 176.094 0.049 0.000 1.047 152 V CA -0.440 61.918 62.300 0.096 0.000 0.955 152 V CB 0.878 32.763 31.823 0.103 0.000 0.988 152 V HN 1.137 nan 8.190 nan 0.000 0.471 153 S N 2.307 118.020 115.700 0.020 0.000 2.578 153 S HA 0.731 5.198 4.470 -0.006 0.000 0.301 153 S C 0.134 174.714 174.600 -0.034 0.000 1.091 153 S CA 0.585 58.780 58.200 -0.008 0.000 1.032 153 S CB 1.354 64.554 63.200 -0.000 0.000 1.064 153 S HN 2.604 nan 8.310 nan 0.000 0.508 154 D N -0.734 119.630 120.400 -0.061 0.000 3.437 154 D HA 0.071 4.708 4.640 -0.006 0.000 0.243 154 D C 0.107 176.331 176.300 -0.126 0.000 1.104 154 D CA 0.754 54.706 54.000 -0.080 0.000 1.009 154 D CB -2.382 38.389 40.800 -0.047 0.000 0.937 154 D HN 1.503 nan 8.370 nan 0.000 0.417 155 T N -2.524 111.892 114.554 -0.231 0.000 2.952 155 T HA 0.737 5.083 4.350 -0.006 0.000 0.286 155 T C 1.404 175.875 174.700 -0.381 0.000 1.024 155 T CA -0.501 61.352 62.100 -0.411 0.000 1.029 155 T CB 1.728 70.067 68.868 -0.881 0.000 1.094 155 T HN 0.633 nan 8.240 nan 0.000 0.515 156 L N 0.103 121.132 121.223 -0.323 0.000 2.418 156 L HA 0.208 4.545 4.340 -0.006 0.000 0.218 156 L C 0.445 177.269 176.870 -0.077 0.000 1.125 156 L CA 0.013 54.781 54.840 -0.121 0.000 0.835 156 L CB -0.500 41.563 42.059 0.008 0.000 0.953 156 L HN 0.714 nan 8.230 nan 0.000 0.454 157 Y N -2.561 117.716 120.300 -0.039 0.000 2.596 157 Y HA 0.726 5.272 4.550 -0.006 0.000 0.326 157 Y C -0.720 175.110 175.900 -0.118 0.000 1.167 157 Y CA -1.769 56.279 58.100 -0.088 0.000 1.246 157 Y CB 0.682 39.076 38.460 -0.110 0.000 1.347 157 Y HN -0.263 nan 8.280 nan 0.000 0.515 158 D N -0.035 120.397 120.400 0.054 0.000 2.891 158 D HA 0.394 5.030 4.640 -0.006 0.000 0.224 158 D C -1.879 174.360 176.300 -0.101 0.000 1.321 158 D CA -0.363 53.611 54.000 -0.043 0.000 0.929 158 D CB 2.157 42.923 40.800 -0.056 0.000 1.551 158 D HN 0.519 nan 8.370 nan 0.000 0.574 159 V N 2.686 122.519 119.914 -0.134 0.000 2.275 159 V HA 0.630 4.746 4.120 -0.006 0.000 0.272 159 V C 0.685 176.713 176.094 -0.110 0.000 1.028 159 V CA -0.801 61.371 62.300 -0.213 0.000 0.810 159 V CB 0.538 32.147 31.823 -0.356 0.000 1.043 159 V HN 0.571 nan 8.190 nan 0.000 0.453 160 K N 3.080 123.413 120.400 -0.112 0.000 2.205 160 K HA 0.732 5.048 4.320 -0.006 0.000 0.279 160 K C -0.581 175.948 176.600 -0.119 0.000 1.027 160 K CA -0.396 55.837 56.287 -0.090 0.000 0.932 160 K CB 1.634 34.082 32.500 -0.087 0.000 1.032 160 K HN 0.501 nan 8.250 nan 0.000 0.466 161 V N 2.366 122.224 119.914 -0.093 0.000 2.305 161 V HA 0.519 4.635 4.120 -0.006 0.000 0.275 161 V C 0.552 176.568 176.094 -0.131 0.000 1.020 161 V CA -1.270 60.946 62.300 -0.139 0.000 0.811 161 V CB 0.601 32.407 31.823 -0.030 0.000 1.031 161 V HN 1.126 nan 8.190 nan 0.000 0.439 162 A N 3.954 126.654 122.820 -0.201 0.000 2.507 162 A HA 0.307 4.623 4.320 -0.006 0.000 0.235 162 A C 1.035 178.568 177.584 -0.086 0.000 1.070 162 A CA 0.248 52.197 52.037 -0.147 0.000 0.768 162 A CB 0.405 19.296 19.000 -0.181 0.000 1.011 162 A HN 0.790 nan 8.150 nan 0.000 0.502 163 Q N 0.360 120.140 119.800 -0.034 0.000 2.387 163 Q HA 0.048 4.385 4.340 -0.006 0.000 0.208 163 Q C -0.463 175.556 176.000 0.032 0.000 0.935 163 Q CA 0.962 56.774 55.803 0.016 0.000 0.891 163 Q CB 0.104 28.847 28.738 0.010 0.000 1.007 163 Q HN 0.880 nan 8.270 nan 0.000 0.548 164 N N 1.806 120.511 118.700 0.009 0.000 2.577 164 N HA 0.273 5.009 4.740 -0.006 0.000 0.275 164 N C -2.615 172.895 175.510 -0.001 0.000 1.091 164 N CA -0.807 52.252 53.050 0.016 0.000 0.843 164 N CB 1.681 40.175 38.487 0.011 0.000 1.295 164 N HN 0.034 nan 8.380 nan 0.000 0.530 165 P HA 0.286 nan 4.420 nan 0.000 0.281 165 P C -0.619 176.699 177.300 0.029 0.000 1.264 165 P CA -0.626 62.497 63.100 0.039 0.000 0.824 165 P CB 0.719 32.445 31.700 0.044 0.000 1.092 166 F N 1.560 121.482 119.950 -0.048 0.000 2.607 166 F HA 0.278 4.801 4.527 -0.007 0.000 0.374 166 F C -0.018 175.690 175.800 -0.154 0.000 1.104 166 F CA 0.885 58.814 58.000 -0.119 0.000 1.296 166 F CB 0.300 39.222 39.000 -0.131 0.000 1.085 166 F HN 0.473 nan 8.300 nan 0.000 0.584 167 S N 6.859 121.785 115.700 -1.290 0.000 2.556 167 S HA 0.439 4.905 4.470 -0.006 0.000 0.280 167 S C -1.091 172.836 174.600 -1.122 0.000 1.141 167 S CA -1.127 56.293 58.200 -1.299 0.000 0.883 167 S CB 0.823 63.676 63.200 -0.579 0.000 1.103 167 S HN 1.004 nan 8.310 nan 0.000 0.453 168 I N 1.353 121.334 120.570 -0.983 0.000 2.566 168 I HA 0.625 4.791 4.170 -0.006 0.000 0.303 168 I C -0.638 175.290 176.117 -0.316 0.000 0.983 168 I CA -0.470 60.485 61.300 -0.575 0.000 1.235 168 I CB 1.571 39.232 38.000 -0.565 0.000 1.386 168 I HN 0.920 nan 8.210 nan 0.000 0.494 169 Q N 5.577 125.247 119.800 -0.217 0.000 2.309 169 Q HA 0.418 4.755 4.340 -0.006 0.000 0.254 169 Q C -2.057 173.862 176.000 -0.136 0.000 0.938 169 Q CA -0.626 55.090 55.803 -0.144 0.000 0.789 169 Q CB 2.114 30.758 28.738 -0.156 0.000 1.313 169 Q HN 0.582 nan 8.270 nan 0.000 0.438 170 V N 5.729 125.587 119.914 -0.093 0.000 2.394 170 V HA 0.551 4.667 4.120 -0.006 0.000 0.282 170 V C -0.238 175.780 176.094 -0.127 0.000 1.031 170 V CA -0.358 61.844 62.300 -0.163 0.000 0.881 170 V CB 1.357 33.068 31.823 -0.188 0.000 0.982 170 V HN 0.653 nan 8.190 nan 0.000 0.451 171 I N 4.446 124.953 120.570 -0.104 0.000 2.545 171 I HA 0.518 4.684 4.170 -0.006 0.000 0.292 171 I C 0.169 176.265 176.117 -0.034 0.000 1.040 171 I CA -0.685 60.572 61.300 -0.072 0.000 1.068 171 I CB 1.941 39.904 38.000 -0.061 0.000 1.251 171 I HN 0.497 nan 8.210 nan 0.000 0.424 172 R N 6.005 126.488 120.500 -0.027 0.000 2.288 172 R HA 0.160 4.496 4.340 -0.006 0.000 0.330 172 R C 1.105 177.402 176.300 -0.005 0.000 1.069 172 R CA -0.248 55.854 56.100 0.004 0.000 0.941 172 R CB 0.674 30.984 30.300 0.017 0.000 0.998 172 R HN 0.721 nan 8.270 nan 0.000 0.452 173 K N 2.140 122.531 120.400 -0.015 0.000 2.057 173 K HA -0.150 4.166 4.320 -0.006 0.000 0.206 173 K C 1.694 178.286 176.600 -0.014 0.000 1.050 173 K CA 1.351 57.623 56.287 -0.025 0.000 0.935 173 K CB -0.372 32.102 32.500 -0.044 0.000 0.715 173 K HN 0.542 nan 8.250 nan 0.000 0.439 174 S N 2.957 118.651 115.700 -0.010 0.000 2.457 174 S HA -0.275 4.191 4.470 -0.006 0.000 0.269 174 S C 1.553 176.157 174.600 0.006 0.000 1.139 174 S CA 2.424 60.624 58.200 0.000 0.000 1.176 174 S CB -0.598 62.608 63.200 0.009 0.000 1.088 174 S HN 0.751 nan 8.310 nan 0.000 0.443 175 N N -0.570 118.136 118.700 0.010 0.000 2.143 175 N HA 0.243 4.979 4.740 -0.006 0.000 0.229 175 N C 1.154 176.671 175.510 0.010 0.000 1.294 175 N CA 0.981 54.040 53.050 0.015 0.000 0.883 175 N CB -0.221 38.282 38.487 0.028 0.000 1.148 175 N HN 0.877 nan 8.380 nan 0.000 0.511 176 G N 1.258 110.059 108.800 0.001 0.000 2.189 176 G HA2 -0.399 3.557 3.960 -0.006 0.000 0.267 176 G HA3 -0.399 3.557 3.960 -0.006 0.000 0.267 176 G C 0.006 174.902 174.900 -0.006 0.000 0.975 176 G CA 0.775 45.871 45.100 -0.006 0.000 0.644 176 G HN 0.709 nan 8.290 nan 0.000 0.537 177 K N 1.600 122.003 120.400 0.004 0.000 2.416 177 K HA 0.421 4.738 4.320 -0.006 0.000 0.283 177 K C 0.860 177.449 176.600 -0.018 0.000 1.037 177 K CA 0.542 56.833 56.287 0.008 0.000 0.995 177 K CB 0.321 32.843 32.500 0.035 0.000 0.938 177 K HN 0.311 nan 8.250 nan 0.000 0.475 178 T N 3.976 118.514 114.554 -0.027 0.000 2.780 178 T HA 0.232 4.578 4.350 -0.006 0.000 0.294 178 T C 1.007 175.659 174.700 -0.080 0.000 0.949 178 T CA -0.674 61.390 62.100 -0.059 0.000 1.074 178 T CB 0.448 69.280 68.868 -0.060 0.000 0.910 178 T HN 0.635 nan 8.240 nan 0.000 0.501 179 L N 3.228 124.350 121.223 -0.170 0.000 2.221 179 L HA 0.425 4.761 4.340 -0.006 0.000 0.202 179 L C 0.456 177.192 176.870 -0.224 0.000 1.074 179 L CA 0.248 54.858 54.840 -0.383 0.000 0.795 179 L CB 0.075 41.621 42.059 -0.855 0.000 0.960 179 L HN 0.626 nan 8.230 nan 0.000 0.458 180 F N 0.781 120.565 119.950 -0.278 0.000 2.577 180 F HA 0.340 4.863 4.527 -0.006 0.000 0.344 180 F C -1.023 174.696 175.800 -0.134 0.000 1.145 180 F CA -1.009 56.902 58.000 -0.148 0.000 0.996 180 F CB 1.023 39.945 39.000 -0.130 0.000 1.248 180 F HN -0.221 nan 8.300 nan 0.000 0.447 181 D N 4.029 124.232 120.400 -0.328 0.000 2.462 181 D HA 0.221 4.857 4.640 -0.006 0.000 0.249 181 D C 0.688 176.787 176.300 -0.337 0.000 1.117 181 D CA -0.036 53.808 54.000 -0.260 0.000 0.900 181 D CB 1.636 42.332 40.800 -0.173 0.000 1.039 181 D HN 0.524 nan 8.370 nan 0.000 0.516 182 T N 0.425 114.772 114.554 -0.345 0.000 3.035 182 T HA -0.121 4.225 4.350 -0.006 0.000 0.268 182 T C 1.905 176.449 174.700 -0.261 0.000 1.109 182 T CA 1.318 63.222 62.100 -0.326 0.000 1.119 182 T CB 0.021 68.681 68.868 -0.346 0.000 0.900 182 T HN 0.488 nan 8.240 nan 0.000 0.503 183 S N 1.019 116.571 115.700 -0.247 0.000 2.493 183 S HA -0.080 4.387 4.470 -0.006 0.000 0.243 183 S C 1.780 176.305 174.600 -0.124 0.000 0.991 183 S CA 0.443 58.528 58.200 -0.192 0.000 0.957 183 S CB -0.570 62.529 63.200 -0.168 0.000 0.756 183 S HN 0.354 nan 8.310 nan 0.000 0.521 184 I N 1.468 121.967 120.570 -0.119 0.000 2.928 184 I HA 0.332 4.498 4.170 -0.006 0.000 0.266 184 I C 1.128 177.228 176.117 -0.028 0.000 1.234 184 I CA 0.261 61.519 61.300 -0.071 0.000 1.483 184 I CB -0.155 37.795 38.000 -0.083 0.000 1.097 184 I HN 0.519 nan 8.210 nan 0.000 0.455 185 G N -0.579 108.193 108.800 -0.047 0.000 2.619 185 G HA2 0.484 4.441 3.960 -0.006 0.000 0.305 185 G HA3 0.484 4.441 3.960 -0.006 0.000 0.305 185 G C -2.984 171.866 174.900 -0.084 0.000 1.330 185 G CA -0.622 44.457 45.100 -0.035 0.000 0.789 185 G HN -0.142 nan 8.290 nan 0.000 0.487 186 P HA 0.525 nan 4.420 nan 0.000 0.278 186 P C -1.004 176.278 177.300 -0.029 0.000 1.266 186 P CA -0.571 62.454 63.100 -0.126 0.000 0.807 186 P CB 1.718 33.212 31.700 -0.344 0.000 1.094 187 L N 1.059 122.358 121.223 0.126 0.000 2.295 187 L HA 0.452 4.788 4.340 -0.006 0.000 0.285 187 L C -1.053 175.970 176.870 0.256 0.000 1.035 187 L CA -0.527 54.413 54.840 0.167 0.000 0.806 187 L CB 1.282 43.448 42.059 0.177 0.000 1.214 187 L HN 0.032 nan 8.230 nan 0.000 0.426 188 V N 6.055 126.093 119.914 0.206 0.000 2.407 188 V HA 0.340 4.456 4.120 -0.006 0.000 0.291 188 V C -1.229 175.043 176.094 0.297 0.000 1.018 188 V CA -0.438 62.052 62.300 0.317 0.000 0.842 188 V CB 1.179 33.178 31.823 0.294 0.000 0.996 188 V HN 0.694 nan 8.190 nan 0.000 0.426 189 Y N 4.574 125.021 120.300 0.246 0.000 2.526 189 Y HA 0.588 5.134 4.550 -0.006 0.000 0.328 189 Y C 0.357 176.393 175.900 0.227 0.000 0.995 189 Y CA -0.232 57.955 58.100 0.146 0.000 1.304 189 Y CB 1.481 39.934 38.460 -0.012 0.000 1.096 189 Y HN 0.727 nan 8.280 nan 0.000 0.499 190 S N 1.541 117.371 115.700 0.217 0.000 2.600 190 S HA 0.242 4.708 4.470 -0.006 0.000 0.300 190 S C 0.513 175.192 174.600 0.131 0.000 1.087 190 S CA -0.645 57.699 58.200 0.240 0.000 0.965 190 S CB 1.703 65.084 63.200 0.302 0.000 1.089 190 S HN 0.674 nan 8.310 nan 0.000 0.496 191 D N 0.741 121.235 120.400 0.157 0.000 2.149 191 D HA -0.198 4.438 4.640 -0.006 0.000 0.194 191 D C 1.363 177.731 176.300 0.113 0.000 1.001 191 D CA 1.953 56.025 54.000 0.120 0.000 0.849 191 D CB 0.075 40.946 40.800 0.119 0.000 0.939 191 D HN 0.711 nan 8.370 nan 0.000 0.449 192 Q N -2.118 117.777 119.800 0.158 0.000 2.149 192 Q HA 0.133 4.470 4.340 -0.006 0.000 0.221 192 Q C -1.001 175.144 176.000 0.240 0.000 0.807 192 Q CA -0.311 55.611 55.803 0.197 0.000 1.000 192 Q CB 1.346 30.199 28.738 0.192 0.000 1.157 192 Q HN 0.313 nan 8.270 nan 0.000 0.487 193 Y N 0.473 120.804 120.300 0.052 0.000 2.361 193 Y HA 0.437 4.983 4.550 -0.006 0.000 0.328 193 Y C -1.978 173.905 175.900 -0.028 0.000 1.044 193 Y CA -1.239 56.851 58.100 -0.017 0.000 1.085 193 Y CB 1.135 39.578 38.460 -0.027 0.000 1.194 193 Y HN -0.122 nan 8.280 nan 0.000 0.438 194 L N 5.797 126.689 121.223 -0.551 0.000 2.362 194 L HA 0.576 4.913 4.340 -0.006 0.000 0.275 194 L C -0.924 175.617 176.870 -0.548 0.000 0.998 194 L CA -0.552 54.028 54.840 -0.433 0.000 0.820 194 L CB 2.027 43.893 42.059 -0.322 0.000 1.270 194 L HN 0.720 nan 8.230 nan 0.000 0.415 195 Q N 3.690 123.321 119.800 -0.281 0.000 2.289 195 Q HA 0.697 5.033 4.340 -0.006 0.000 0.270 195 Q C -1.866 174.158 176.000 0.040 0.000 1.038 195 Q CA -0.437 55.269 55.803 -0.161 0.000 0.812 195 Q CB 2.983 31.638 28.738 -0.139 0.000 1.300 195 Q HN 0.692 nan 8.270 nan 0.000 0.427 196 I N 1.416 122.066 120.570 0.134 0.000 2.752 196 I HA 0.494 4.660 4.170 -0.006 0.000 0.295 196 I C -1.446 174.784 176.117 0.188 0.000 1.219 196 I CA -0.265 61.123 61.300 0.147 0.000 1.030 196 I CB 2.518 40.627 38.000 0.183 0.000 1.259 196 I HN 0.604 nan 8.210 nan 0.000 0.423 197 S N 4.534 120.276 115.700 0.069 0.000 2.600 197 S HA 0.946 5.412 4.470 -0.006 0.000 0.300 197 S C -1.004 173.517 174.600 -0.131 0.000 1.087 197 S CA -0.653 57.571 58.200 0.040 0.000 0.965 197 S CB 1.922 65.134 63.200 0.019 0.000 1.089 197 S HN 0.768 nan 8.310 nan 0.000 0.496 198 A N 1.789 124.496 122.820 -0.188 0.000 2.408 198 A HA 0.660 4.976 4.320 -0.006 0.000 0.295 198 A C -0.606 176.814 177.584 -0.273 0.000 1.040 198 A CA -0.699 51.059 52.037 -0.467 0.000 0.707 198 A CB 1.120 19.491 19.000 -1.048 0.000 1.235 198 A HN 0.695 nan 8.150 nan 0.000 0.418 199 R N 2.869 123.221 120.500 -0.248 0.000 2.340 199 R HA 0.564 4.900 4.340 -0.006 0.000 0.300 199 R C -1.166 175.084 176.300 -0.084 0.000 1.069 199 R CA -0.168 55.847 56.100 -0.141 0.000 0.984 199 R CB 0.337 30.566 30.300 -0.118 0.000 1.003 199 R HN 0.735 nan 8.270 nan 0.000 0.459 200 L N 6.263 127.485 121.223 -0.002 0.000 2.330 200 L HA 0.438 4.774 4.340 -0.006 0.000 0.271 200 L C -1.310 175.627 176.870 0.111 0.000 1.013 200 L CA -2.115 52.807 54.840 0.137 0.000 0.816 200 L CB 2.136 44.323 42.059 0.213 0.000 1.287 200 L HN 0.547 nan 8.230 nan 0.000 0.435 201 P HA -0.026 nan 4.420 nan 0.000 0.227 201 P C 0.265 177.649 177.300 0.141 0.000 1.161 201 P CA 0.589 63.776 63.100 0.144 0.000 0.788 201 P CB 0.504 32.314 31.700 0.183 0.000 0.822 202 S N -1.366 114.426 115.700 0.154 0.000 2.740 202 S HA 0.412 4.878 4.470 -0.006 0.000 0.300 202 S C -0.030 174.612 174.600 0.071 0.000 1.147 202 S CA -0.638 57.658 58.200 0.160 0.000 0.871 202 S CB 1.202 64.548 63.200 0.243 0.000 1.173 202 S HN -0.307 nan 8.310 nan 0.000 0.510 203 D N 0.126 120.569 120.400 0.072 0.000 2.342 203 D HA 0.226 4.863 4.640 -0.006 0.000 0.221 203 D C -1.103 174.847 176.300 -0.584 0.000 1.101 203 D CA 0.441 54.286 54.000 -0.259 0.000 0.837 203 D CB -0.178 40.428 40.800 -0.324 0.000 0.938 203 D HN 0.486 nan 8.370 nan 0.000 0.508 204 Y N 0.594 120.803 120.300 -0.153 0.000 2.478 204 Y HA 0.438 4.984 4.550 -0.006 0.000 0.329 204 Y C 0.224 175.826 175.900 -0.497 0.000 0.967 204 Y CA -0.591 57.320 58.100 -0.315 0.000 1.255 204 Y CB 0.819 39.178 38.460 -0.169 0.000 1.103 204 Y HN -0.265 nan 8.280 nan 0.000 0.497 205 I N 3.626 123.797 120.570 -0.666 0.000 2.569 205 I HA 0.470 4.636 4.170 -0.006 0.000 0.296 205 I C -1.209 174.398 176.117 -0.849 0.000 1.028 205 I CA -1.087 59.860 61.300 -0.588 0.000 1.082 205 I CB 1.917 39.564 38.000 -0.588 0.000 1.264 205 I HN 0.377 nan 8.210 nan 0.000 0.429 206 Y N 3.079 123.199 120.300 -0.301 0.000 2.457 206 Y HA 0.776 5.322 4.550 -0.006 0.000 0.343 206 Y C 0.552 176.245 175.900 -0.346 0.000 0.994 206 Y CA -0.561 57.253 58.100 -0.476 0.000 1.031 206 Y CB 2.186 40.205 38.460 -0.736 0.000 1.246 206 Y HN 0.836 nan 8.280 nan 0.000 0.449 207 G N 1.453 110.150 108.800 -0.171 0.000 2.297 207 G HA2 0.172 4.128 3.960 -0.006 0.000 0.209 207 G HA3 0.172 4.128 3.960 -0.006 0.000 0.209 207 G C -1.133 173.815 174.900 0.079 0.000 1.267 207 G CA -0.569 44.508 45.100 -0.039 0.000 1.127 207 G HN 1.022 nan 8.290 nan 0.000 0.498 208 I N -1.005 119.722 120.570 0.262 0.000 8.785 208 I HA 0.196 4.362 4.170 -0.006 0.000 0.126 208 I C 0.637 176.915 176.117 0.269 0.000 1.862 208 I CA 1.272 62.659 61.300 0.145 0.000 2.038 208 I CB -0.752 37.214 38.000 -0.056 0.000 3.895 208 I HN 2.359 nan 8.210 nan 0.000 0.169 209 G N 4.188 113.011 108.800 0.038 0.000 2.550 209 G HA2 0.553 4.510 3.960 -0.006 0.000 0.293 209 G HA3 0.553 4.510 3.960 -0.006 0.000 0.293 209 G C -1.877 172.984 174.900 -0.065 0.000 1.402 209 G CA -0.663 44.454 45.100 0.030 0.000 0.784 209 G HN 0.788 nan 8.290 nan 0.000 0.482 210 E N -0.155 120.055 120.200 0.017 0.000 2.115 210 E HA 0.561 4.907 4.350 -0.006 0.000 0.282 210 E C -0.469 176.144 176.600 0.022 0.000 0.987 210 E CA -0.175 56.296 56.400 0.118 0.000 0.797 210 E CB 0.817 30.675 29.700 0.263 0.000 1.086 210 E HN 0.377 nan 8.360 nan 0.000 0.397 211 Q N 1.449 121.181 119.800 -0.113 0.000 2.605 211 Q HA 0.442 4.778 4.340 -0.006 0.000 0.296 211 Q C -1.386 174.408 176.000 -0.343 0.000 1.056 211 Q CA -0.869 54.800 55.803 -0.223 0.000 0.778 211 Q CB 2.228 30.807 28.738 -0.266 0.000 1.497 211 Q HN 0.332 nan 8.270 nan 0.000 0.443 212 V N 2.140 121.910 119.914 -0.240 0.000 2.353 212 V HA 0.113 4.229 4.120 -0.006 0.000 0.264 212 V C -0.048 175.827 176.094 -0.364 0.000 1.049 212 V CA 0.177 62.320 62.300 -0.262 0.000 0.896 212 V CB 0.216 31.907 31.823 -0.220 0.000 1.025 212 V HN 0.730 nan 8.190 nan 0.000 0.475 213 H N 2.991 121.919 119.070 -0.236 0.000 2.465 213 H HA 0.089 4.641 4.556 -0.007 0.000 0.289 213 H C 1.590 176.769 175.328 -0.248 0.000 1.022 213 H CA 0.754 56.614 56.048 -0.313 0.000 1.340 213 H CB 0.182 29.652 29.762 -0.487 0.000 1.437 213 H HN 0.685 nan 8.280 nan 0.000 0.539 214 K N -1.392 118.873 120.400 -0.226 0.000 4.018 214 K HA -0.184 4.132 4.320 -0.006 0.000 0.416 214 K C -0.055 176.589 176.600 0.072 0.000 0.464 214 K CA 1.470 57.594 56.287 -0.272 0.000 1.816 214 K CB -0.559 31.713 32.500 -0.380 0.000 0.928 214 K HN 0.081 nan 8.250 nan 0.000 0.497 215 R N -0.056 120.470 120.500 0.043 0.000 2.599 215 R HA 0.257 4.594 4.340 -0.006 0.000 0.295 215 R C 0.428 176.759 176.300 0.051 0.000 0.963 215 R CA -0.416 55.732 56.100 0.081 0.000 0.883 215 R CB 0.991 31.315 30.300 0.039 0.000 1.171 215 R HN 0.010 nan 8.270 nan 0.000 0.450 216 F N 2.714 122.651 119.950 -0.022 0.000 2.128 216 F HA -0.041 4.482 4.527 -0.007 0.000 0.295 216 F C 1.145 176.908 175.800 -0.062 0.000 1.100 216 F CA 1.004 58.996 58.000 -0.014 0.000 1.260 216 F CB 0.127 39.191 39.000 0.107 0.000 1.009 216 F HN 0.404 nan 8.300 nan 0.000 0.476 217 R N 0.654 121.094 120.500 -0.100 0.000 2.308 217 R HA 0.181 4.517 4.340 -0.006 0.000 0.305 217 R C -1.122 174.928 176.300 -0.417 0.000 1.053 217 R CA -0.161 55.671 56.100 -0.446 0.000 0.957 217 R CB -0.316 29.863 30.300 -0.200 0.000 1.022 217 R HN 0.202 nan 8.270 nan 0.000 0.461 218 H N 1.324 120.063 119.070 -0.551 0.000 2.897 218 H HA 0.029 4.581 4.556 -0.007 0.000 0.347 218 H C -0.484 174.673 175.328 -0.285 0.000 1.068 218 H CA 1.008 56.809 56.048 -0.411 0.000 1.426 218 H CB 0.580 30.048 29.762 -0.490 0.000 1.410 218 H HN 0.672 nan 8.280 nan 0.000 0.597 219 D N 2.659 123.034 120.400 -0.041 0.000 2.390 219 D HA -0.012 4.624 4.640 -0.006 0.000 0.249 219 D C 0.475 176.724 176.300 -0.085 0.000 1.144 219 D CA 0.080 54.051 54.000 -0.049 0.000 0.880 219 D CB 0.776 41.583 40.800 0.012 0.000 1.182 219 D HN 0.484 nan 8.370 nan 0.000 0.451 220 L N 2.187 123.302 121.223 -0.180 0.000 2.592 220 L HA 0.104 4.440 4.340 -0.006 0.000 0.227 220 L C 1.364 178.022 176.870 -0.353 0.000 1.127 220 L CA -0.053 54.615 54.840 -0.286 0.000 0.884 220 L CB 0.033 41.903 42.059 -0.315 0.000 1.065 220 L HN 0.250 nan 8.230 nan 0.000 0.457 221 S N 0.451 116.022 115.700 -0.215 0.000 4.183 221 S HA 0.078 4.544 4.470 -0.006 0.000 0.195 221 S C -0.579 174.004 174.600 -0.028 0.000 1.421 221 S CA -0.452 57.671 58.200 -0.129 0.000 0.920 221 S CB -0.896 62.321 63.200 0.027 0.000 1.525 221 S HN 0.411 nan 8.310 nan 0.000 0.447 222 W N 1.551 122.697 121.300 -0.258 0.000 5.447 222 W HA -0.181 4.476 4.660 -0.004 0.000 0.421 222 W C -0.117 176.095 176.519 -0.511 0.000 1.665 222 W CA -0.002 57.123 57.345 -0.367 0.000 0.941 222 W CB -1.565 27.851 29.460 -0.073 0.000 2.889 222 W HN 0.296 nan 8.180 nan 0.000 1.320 223 K N 0.719 120.742 120.400 -0.629 0.000 2.345 223 K HA 0.626 4.942 4.320 -0.006 0.000 0.255 223 K C 0.326 176.492 176.600 -0.723 0.000 0.934 223 K CA -0.778 55.173 56.287 -0.560 0.000 0.801 223 K CB 1.883 34.142 32.500 -0.402 0.000 1.137 223 K HN -0.016 nan 8.250 nan 0.000 0.424 224 T N -0.591 113.639 114.554 -0.540 0.000 2.875 224 T HA 0.531 4.877 4.350 -0.006 0.000 0.284 224 T C -0.568 173.769 174.700 -0.606 0.000 0.995 224 T CA -0.748 61.179 62.100 -0.289 0.000 1.060 224 T CB 0.667 69.554 68.868 0.031 0.000 0.967 224 T HN 0.518 nan 8.240 nan 0.000 0.476 225 W N 3.217 124.536 121.300 0.033 0.000 2.521 225 W HA 0.382 5.040 4.660 -0.004 0.000 0.310 225 W C -2.625 173.912 176.519 0.030 0.000 1.000 225 W CA -2.394 54.969 57.345 0.030 0.000 1.353 225 W CB 1.657 31.148 29.460 0.053 0.000 1.276 225 W HN 0.479 nan 8.180 nan 0.000 0.417 226 P HA 0.342 nan 4.420 nan 0.000 0.285 226 P C -0.490 176.889 177.300 0.132 0.000 1.259 226 P CA 0.065 63.246 63.100 0.135 0.000 0.794 226 P CB 1.690 33.436 31.700 0.077 0.000 0.940 227 I N 4.334 124.960 120.570 0.092 0.000 2.418 227 I HA 0.523 4.689 4.170 -0.006 0.000 0.287 227 I C -0.622 175.599 176.117 0.173 0.000 1.008 227 I CA -0.591 60.711 61.300 0.003 0.000 1.104 227 I CB 1.014 38.872 38.000 -0.236 0.000 1.264 227 I HN 0.231 nan 8.210 nan 0.000 0.438 228 F N 4.152 124.118 119.950 0.028 0.000 2.655 228 F HA 0.158 4.681 4.527 -0.006 0.000 0.324 228 F C -0.214 175.701 175.800 0.191 0.000 1.081 228 F CA -0.461 57.651 58.000 0.186 0.000 1.088 228 F CB 1.278 40.342 39.000 0.107 0.000 1.327 228 F HN 0.300 nan 8.300 nan 0.000 0.522 229 T N 5.014 119.508 114.554 -0.101 0.000 2.902 229 T HA 0.474 4.820 4.350 -0.006 0.000 0.301 229 T C -0.567 174.057 174.700 -0.127 0.000 1.012 229 T CA 0.584 62.613 62.100 -0.117 0.000 1.151 229 T CB -0.010 68.729 68.868 -0.215 0.000 0.946 229 T HN 0.740 nan 8.240 nan 0.000 0.542 230 R N 2.234 122.716 120.500 -0.030 0.000 2.579 230 R HA 0.467 4.803 4.340 -0.006 0.000 0.260 230 R C -1.274 175.012 176.300 -0.024 0.000 1.103 230 R CA 0.017 56.112 56.100 -0.009 0.000 0.942 230 R CB 0.823 31.128 30.300 0.008 0.000 1.251 230 R HN 0.599 nan 8.270 nan 0.000 0.450 231 D N 2.334 122.763 120.400 0.049 0.000 2.325 231 D HA 0.484 5.120 4.640 -0.006 0.000 0.251 231 D C -0.529 175.793 176.300 0.036 0.000 1.196 231 D CA 0.042 54.120 54.000 0.130 0.000 0.866 231 D CB 1.329 42.241 40.800 0.186 0.000 1.101 231 D HN 0.575 nan 8.370 nan 0.000 0.476 232 Q N 1.105 120.875 119.800 -0.050 0.000 2.468 232 Q HA 0.301 4.637 4.340 -0.006 0.000 0.263 232 Q C -1.718 174.271 176.000 -0.018 0.000 0.979 232 Q CA -0.560 55.216 55.803 -0.046 0.000 0.932 232 Q CB 1.047 29.721 28.738 -0.107 0.000 1.462 232 Q HN 0.569 nan 8.270 nan 0.000 0.403 233 L N 5.120 126.410 121.223 0.111 0.000 2.534 233 L HA 0.308 4.644 4.340 -0.006 0.000 0.271 233 L C -1.818 175.121 176.870 0.115 0.000 1.178 233 L CA -1.541 53.405 54.840 0.178 0.000 0.907 233 L CB 0.070 42.257 42.059 0.214 0.000 1.164 233 L HN 0.544 nan 8.230 nan 0.000 0.482 234 P HA 0.144 nan 4.420 nan 0.000 0.267 234 P C 0.017 177.438 177.300 0.201 0.000 1.205 234 P CA 0.056 63.236 63.100 0.134 0.000 0.765 234 P CB 1.043 32.863 31.700 0.199 0.000 0.828 235 G N 1.163 110.058 108.800 0.158 0.000 2.870 235 G HA2 0.307 4.263 3.960 -0.006 0.000 0.299 235 G HA3 0.307 4.263 3.960 -0.006 0.000 0.299 235 G C -1.317 173.642 174.900 0.100 0.000 1.324 235 G CA -0.413 44.815 45.100 0.215 0.000 0.808 235 G HN 0.328 nan 8.290 nan 0.000 0.535 236 D N 1.187 121.666 120.400 0.132 0.000 2.608 236 D HA 0.222 4.858 4.640 -0.006 0.000 0.224 236 D C 0.248 176.533 176.300 -0.024 0.000 1.123 236 D CA -0.182 53.806 54.000 -0.020 0.000 1.030 236 D CB -0.890 40.009 40.800 0.165 0.000 1.093 236 D HN 0.507 nan 8.370 nan 0.000 0.497 237 N N 0.473 119.141 118.700 -0.054 0.000 3.308 237 N HA 0.029 4.765 4.740 -0.006 0.000 0.276 237 N C -0.404 175.094 175.510 -0.020 0.000 1.533 237 N CA -0.662 52.366 53.050 -0.036 0.000 0.878 237 N CB 0.137 38.617 38.487 -0.012 0.000 1.566 237 N HN 0.036 nan 8.380 nan 0.000 0.546 238 N N -0.472 118.193 118.700 -0.059 0.000 2.295 238 N HA 0.024 4.760 4.740 -0.006 0.000 0.221 238 N C -1.022 174.515 175.510 0.044 0.000 1.129 238 N CA -0.301 52.727 53.050 -0.035 0.000 0.836 238 N CB -0.875 37.382 38.487 -0.385 0.000 1.040 238 N HN 0.427 nan 8.380 nan 0.000 0.494 239 N N 1.819 120.534 118.700 0.026 0.000 2.407 239 N HA -0.055 4.681 4.740 -0.006 0.000 0.250 239 N C -0.157 175.376 175.510 0.039 0.000 1.236 239 N CA -0.187 52.874 53.050 0.019 0.000 0.879 239 N CB 0.364 38.848 38.487 -0.005 0.000 1.088 239 N HN 0.410 nan 8.380 nan 0.000 0.450 240 N N 3.119 121.847 118.700 0.047 0.000 2.468 240 N HA 0.043 4.780 4.740 -0.006 0.000 0.265 240 N C -0.468 175.027 175.510 -0.025 0.000 1.199 240 N CA 0.339 53.420 53.050 0.052 0.000 0.928 240 N CB 1.100 39.654 38.487 0.112 0.000 1.059 240 N HN 0.400 nan 8.380 nan 0.000 0.467 241 L N 0.809 121.992 121.223 -0.066 0.000 2.798 241 L HA 0.303 4.639 4.340 -0.006 0.000 0.230 241 L C 1.277 178.057 176.870 -0.150 0.000 1.868 241 L CA -0.991 53.700 54.840 -0.248 0.000 2.126 241 L CB -0.335 41.516 42.059 -0.346 0.000 2.569 241 L HN 0.312 nan 8.230 nan 0.000 0.592 242 Y N 0.296 120.631 120.300 0.058 0.000 2.224 242 Y HA -0.004 4.543 4.550 -0.006 0.000 0.289 242 Y C 1.462 177.402 175.900 0.066 0.000 1.146 242 Y CA 0.711 58.838 58.100 0.044 0.000 1.182 242 Y CB -0.861 37.612 38.460 0.021 0.000 0.983 242 Y HN 0.414 nan 8.280 nan 0.000 0.524 243 G N -1.808 107.142 108.800 0.249 0.000 2.491 243 G HA2 0.392 4.348 3.960 -0.006 0.000 0.327 243 G HA3 0.392 4.348 3.960 -0.006 0.000 0.327 243 G C -1.649 173.348 174.900 0.163 0.000 1.189 243 G CA -0.566 44.652 45.100 0.196 0.000 0.956 243 G HN 0.379 nan 8.290 nan 0.000 0.491 244 H N 0.235 119.339 119.070 0.057 0.000 2.791 244 H HA 0.403 4.955 4.556 -0.006 0.000 0.272 244 H C -0.770 174.478 175.328 -0.133 0.000 1.188 244 H CA -0.566 55.521 56.048 0.065 0.000 1.436 244 H CB 0.469 30.386 29.762 0.258 0.000 1.467 244 H HN 0.219 nan 8.280 nan 0.000 0.500 245 Q N 3.542 123.195 119.800 -0.245 0.000 2.309 245 Q HA 0.148 4.484 4.340 -0.006 0.000 0.270 245 Q C 0.391 176.213 176.000 -0.296 0.000 1.023 245 Q CA -0.459 55.040 55.803 -0.506 0.000 0.758 245 Q CB 2.020 29.923 28.738 -1.391 0.000 1.247 245 Q HN 0.836 nan 8.270 nan 0.000 0.455 246 T N -1.520 113.022 114.554 -0.019 0.000 3.086 246 T HA 0.147 4.493 4.350 -0.006 0.000 0.250 246 T C 0.434 175.305 174.700 0.284 0.000 1.074 246 T CA -0.204 61.988 62.100 0.153 0.000 0.988 246 T CB -0.064 68.934 68.868 0.216 0.000 0.988 246 T HN 0.314 nan 8.240 nan 0.000 0.530 247 F N 3.928 123.893 119.950 0.025 0.000 2.495 247 F HA 0.492 5.015 4.527 -0.006 0.000 0.365 247 F C -0.552 175.317 175.800 0.115 0.000 1.090 247 F CA -2.430 55.544 58.000 -0.043 0.000 1.235 247 F CB 0.059 38.728 39.000 -0.552 0.000 1.119 247 F HN 0.270 nan 8.300 nan 0.000 0.562 248 F N 6.295 125.853 119.950 -0.653 0.000 2.613 248 F HA 0.715 5.239 4.527 -0.006 0.000 0.314 248 F C -1.288 173.944 175.800 -0.946 0.000 1.075 248 F CA -1.518 56.031 58.000 -0.751 0.000 0.945 248 F CB 1.476 40.248 39.000 -0.380 0.000 1.310 248 F HN 0.555 nan 8.300 nan 0.000 0.467 249 M N 2.961 122.284 119.600 -0.462 0.000 2.690 249 M HA 0.739 5.215 4.480 -0.006 0.000 0.302 249 M C -2.111 174.085 176.300 -0.174 0.000 1.234 249 M CA -0.533 54.508 55.300 -0.433 0.000 0.853 249 M CB 2.292 34.674 32.600 -0.363 0.000 1.748 249 M HN 1.083 nan 8.290 nan 0.000 0.469 250 C N 4.400 123.472 119.300 -0.379 0.000 2.871 250 C HA 0.583 5.040 4.460 -0.006 0.000 0.378 250 C C -1.316 173.425 174.990 -0.415 0.000 1.052 250 C CA -0.795 57.984 59.018 -0.399 0.000 1.250 250 C CB 0.757 28.091 27.740 -0.676 0.000 1.689 250 C HN 0.965 nan 8.230 nan 0.000 0.506 251 I N 5.791 126.214 120.570 -0.246 0.000 2.315 251 I HA 0.398 4.564 4.170 -0.006 0.000 0.291 251 I C 0.899 176.875 176.117 -0.234 0.000 1.006 251 I CA 0.046 61.150 61.300 -0.327 0.000 1.265 251 I CB 1.342 38.996 38.000 -0.576 0.000 1.387 251 I HN 0.863 nan 8.210 nan 0.000 0.475 252 E N 4.535 124.687 120.200 -0.079 0.000 2.051 252 E HA -0.038 4.308 4.350 -0.006 0.000 0.189 252 E C -0.595 176.074 176.600 0.115 0.000 0.979 252 E CA 0.891 57.338 56.400 0.078 0.000 0.803 252 E CB 0.136 29.927 29.700 0.152 0.000 0.761 252 E HN 0.876 nan 8.360 nan 0.000 0.451 253 D N -2.796 117.673 120.400 0.115 0.000 2.768 253 D HA 0.036 4.672 4.640 -0.006 0.000 0.327 253 D C 0.183 176.712 176.300 0.381 0.000 1.302 253 D CA -0.592 53.576 54.000 0.281 0.000 0.897 253 D CB 0.514 41.432 40.800 0.198 0.000 1.420 253 D HN -0.254 nan 8.370 nan 0.000 0.494 254 T N -1.254 113.540 114.554 0.400 0.000 3.007 254 T HA -0.075 4.271 4.350 -0.006 0.000 0.270 254 T C 1.591 176.505 174.700 0.356 0.000 1.107 254 T CA 1.841 64.183 62.100 0.405 0.000 1.118 254 T CB -0.586 68.408 68.868 0.211 0.000 0.889 254 T HN 0.469 nan 8.240 nan 0.000 0.506 255 S N -0.356 115.490 115.700 0.243 0.000 2.522 255 S HA 0.257 4.723 4.470 -0.006 0.000 0.227 255 S C 1.820 176.498 174.600 0.130 0.000 0.986 255 S CA 1.006 59.328 58.200 0.202 0.000 0.929 255 S CB -0.252 63.021 63.200 0.123 0.000 0.769 255 S HN 0.736 nan 8.310 nan 0.000 0.529 256 G N 0.575 109.382 108.800 0.011 0.000 2.194 256 G HA2 -0.240 3.717 3.960 -0.006 0.000 0.236 256 G HA3 -0.240 3.717 3.960 -0.006 0.000 0.236 256 G C -0.045 174.650 174.900 -0.343 0.000 0.987 256 G CA -0.074 44.728 45.100 -0.498 0.000 0.635 256 G HN 0.573 nan 8.290 nan 0.000 0.520 257 K N 1.490 121.811 120.400 -0.131 0.000 2.472 257 K HA 0.477 4.793 4.320 -0.006 0.000 0.280 257 K C 0.105 176.670 176.600 -0.058 0.000 1.028 257 K CA 0.822 57.071 56.287 -0.064 0.000 1.045 257 K CB 0.509 33.019 32.500 0.017 0.000 0.902 257 K HN 0.273 nan 8.250 nan 0.000 0.478 258 S N 1.944 117.619 115.700 -0.042 0.000 2.651 258 S HA 0.712 5.178 4.470 -0.006 0.000 0.279 258 S C -1.195 173.473 174.600 0.114 0.000 1.148 258 S CA -1.004 57.166 58.200 -0.051 0.000 0.837 258 S CB 0.922 64.001 63.200 -0.201 0.000 1.138 258 S HN 0.542 nan 8.310 nan 0.000 0.478 259 F N -1.414 118.525 119.950 -0.018 0.000 2.692 259 F HA 0.982 5.505 4.527 -0.007 0.000 0.320 259 F C -0.201 175.596 175.800 -0.006 0.000 1.123 259 F CA -0.923 57.084 58.000 0.011 0.000 0.961 259 F CB 0.974 39.997 39.000 0.038 0.000 1.383 259 F HN 0.775 nan 8.300 nan 0.000 0.483 260 G N 0.110 109.028 108.800 0.198 0.000 2.612 260 G HA2 0.626 4.582 3.960 -0.006 0.000 0.298 260 G HA3 0.626 4.582 3.960 -0.006 0.000 0.298 260 G C -2.389 172.576 174.900 0.107 0.000 1.336 260 G CA -1.166 43.951 45.100 0.028 0.000 0.953 260 G HN 0.752 nan 8.290 nan 0.000 0.482 261 V N 1.363 121.123 119.914 -0.258 0.000 2.443 261 V HA 0.528 4.644 4.120 -0.006 0.000 0.293 261 V C -1.333 174.816 176.094 0.091 0.000 1.021 261 V CA -0.699 61.532 62.300 -0.116 0.000 0.848 261 V CB 1.261 32.926 31.823 -0.263 0.000 0.998 261 V HN 0.685 nan 8.190 nan 0.000 0.424 262 F N 6.735 126.759 119.950 0.124 0.000 2.467 262 F HA 0.786 5.309 4.527 -0.007 0.000 0.336 262 F C -0.948 174.832 175.800 -0.033 0.000 1.123 262 F CA -1.406 56.672 58.000 0.131 0.000 0.964 262 F CB 1.705 40.817 39.000 0.186 0.000 1.136 262 F HN 0.433 nan 8.300 nan 0.000 0.447 263 L N 8.165 128.946 121.223 -0.737 0.000 2.265 263 L HA 0.526 4.862 4.340 -0.006 0.000 0.289 263 L C -0.690 175.473 176.870 -1.177 0.000 1.033 263 L CA -0.621 53.547 54.840 -1.120 0.000 0.814 263 L CB 1.216 42.718 42.059 -0.928 0.000 1.203 263 L HN 0.779 nan 8.230 nan 0.000 0.423 264 M N 6.373 125.333 119.600 -1.066 0.000 2.435 264 M HA 0.438 4.914 4.480 -0.006 0.000 0.344 264 M C -1.173 174.980 176.300 -0.246 0.000 1.329 264 M CA 0.533 55.477 55.300 -0.593 0.000 1.320 264 M CB -0.698 31.713 32.600 -0.314 0.000 1.309 264 M HN 0.665 nan 8.290 nan 0.000 0.451 265 N N 1.518 120.192 118.700 -0.043 0.000 2.554 265 N HA 0.204 4.940 4.740 -0.006 0.000 0.271 265 N C -0.973 174.672 175.510 0.224 0.000 1.081 265 N CA 0.128 53.210 53.050 0.054 0.000 0.994 265 N CB 1.536 40.005 38.487 -0.029 0.000 1.641 265 N HN 0.535 nan 8.380 nan 0.000 0.511 266 S N 1.318 117.128 115.700 0.183 0.000 2.568 266 S HA 0.267 4.733 4.470 -0.006 0.000 0.232 266 S C 0.238 174.906 174.600 0.113 0.000 0.975 266 S CA -0.590 57.605 58.200 -0.009 0.000 0.949 266 S CB -0.243 62.811 63.200 -0.244 0.000 0.829 266 S HN 0.494 nan 8.310 nan 0.000 0.479 267 N N 2.049 120.867 118.700 0.197 0.000 2.424 267 N HA 0.436 5.173 4.740 -0.006 0.000 0.257 267 N C 0.114 175.759 175.510 0.225 0.000 1.250 267 N CA 0.057 53.176 53.050 0.116 0.000 0.946 267 N CB 0.785 39.274 38.487 0.003 0.000 1.175 267 N HN 0.426 nan 8.380 nan 0.000 0.477 268 A N 1.146 123.932 122.820 -0.057 0.000 2.531 268 A HA 0.315 4.632 4.320 -0.006 0.000 0.236 268 A C 0.350 177.916 177.584 -0.031 0.000 1.062 268 A CA 0.378 52.283 52.037 -0.220 0.000 0.760 268 A CB -0.235 18.178 19.000 -0.978 0.000 0.995 268 A HN 0.758 nan 8.150 nan 0.000 0.501 269 M N 0.410 120.046 119.600 0.060 0.000 2.682 269 M HA 0.661 5.137 4.480 -0.006 0.000 0.272 269 M C -1.369 175.016 176.300 0.142 0.000 1.232 269 M CA -0.551 54.829 55.300 0.134 0.000 0.849 269 M CB 1.663 34.369 32.600 0.176 0.000 1.695 269 M HN 0.523 nan 8.290 nan 0.000 0.481 270 E N 1.501 121.824 120.200 0.205 0.000 2.199 270 E HA 0.665 5.011 4.350 -0.006 0.000 0.269 270 E C -1.463 175.238 176.600 0.168 0.000 0.899 270 E CA -0.745 55.776 56.400 0.201 0.000 0.772 270 E CB 2.885 32.748 29.700 0.272 0.000 1.155 270 E HN 0.578 nan 8.360 nan 0.000 0.408 271 I N 3.464 124.114 120.570 0.134 0.000 2.339 271 I HA 0.291 4.458 4.170 -0.006 0.000 0.290 271 I C -0.817 175.364 176.117 0.106 0.000 0.994 271 I CA -0.680 60.625 61.300 0.009 0.000 1.191 271 I CB 0.770 38.695 38.000 -0.125 0.000 1.343 271 I HN 0.410 nan 8.210 nan 0.000 0.458 272 F N 7.930 127.830 119.950 -0.083 0.000 2.444 272 F HA 0.637 5.160 4.527 -0.007 0.000 0.342 272 F C -0.614 175.103 175.800 -0.137 0.000 1.121 272 F CA -0.511 57.453 58.000 -0.059 0.000 0.997 272 F CB 0.986 39.989 39.000 0.004 0.000 1.130 272 F HN 0.206 nan 8.300 nan 0.000 0.454 273 I N 5.988 126.192 120.570 -0.610 0.000 2.433 273 I HA 0.373 4.539 4.170 -0.006 0.000 0.292 273 I C -0.833 174.847 176.117 -0.728 0.000 1.001 273 I CA -0.484 60.500 61.300 -0.527 0.000 1.119 273 I CB 1.811 39.543 38.000 -0.447 0.000 1.289 273 I HN 0.625 nan 8.210 nan 0.000 0.438 274 Q N 6.402 125.844 119.800 -0.597 0.000 2.495 274 Q HA 0.638 4.974 4.340 -0.006 0.000 0.287 274 Q C -2.990 172.574 176.000 -0.726 0.000 1.078 274 Q CA -2.273 52.980 55.803 -0.916 0.000 0.793 274 Q CB 2.518 30.624 28.738 -1.054 0.000 1.459 274 Q HN 0.167 nan 8.270 nan 0.000 0.422 275 P HA 0.051 nan 4.420 nan 0.000 0.269 275 P C -0.178 176.928 177.300 -0.324 0.000 1.209 275 P CA 1.192 64.015 63.100 -0.462 0.000 0.776 275 P CB 0.929 32.409 31.700 -0.367 0.000 0.876 276 T N -1.870 112.551 114.554 -0.222 0.000 5.455 276 T HA -0.008 4.338 4.350 -0.006 0.000 0.268 276 T C -2.769 171.861 174.700 -0.116 0.000 2.213 276 T CA -0.319 61.694 62.100 -0.144 0.000 3.795 276 T CB -2.542 66.251 68.868 -0.126 0.000 0.333 276 T HN 0.382 nan 8.240 nan 0.000 0.334 277 P HA 0.814 nan 4.420 nan 0.000 0.293 277 P C -0.835 176.359 177.300 -0.176 0.000 1.291 277 P CA -0.231 62.744 63.100 -0.210 0.000 0.867 277 P CB 1.420 32.970 31.700 -0.249 0.000 1.074 278 I N 2.449 122.897 120.570 -0.205 0.000 2.382 278 I HA 0.456 4.622 4.170 -0.006 0.000 0.286 278 I C -0.207 175.826 176.117 -0.140 0.000 1.002 278 I CA -1.294 59.919 61.300 -0.146 0.000 1.135 278 I CB 1.380 39.314 38.000 -0.110 0.000 1.288 278 I HN 0.309 nan 8.210 nan 0.000 0.448 279 V N 5.018 124.858 119.914 -0.123 0.000 2.539 279 V HA 0.856 4.972 4.120 -0.006 0.000 0.292 279 V C 0.389 176.475 176.094 -0.014 0.000 1.045 279 V CA 0.107 62.322 62.300 -0.142 0.000 0.945 279 V CB 1.714 33.385 31.823 -0.254 0.000 0.993 279 V HN 0.970 nan 8.190 nan 0.000 0.464 280 T N 6.680 121.234 114.554 0.000 0.000 2.879 280 T HA 0.515 4.861 4.350 -0.006 0.000 0.290 280 T C -1.223 173.525 174.700 0.079 0.000 0.993 280 T CA -0.040 62.134 62.100 0.124 0.000 0.975 280 T CB 0.951 69.921 68.868 0.169 0.000 0.981 280 T HN 0.557 nan 8.240 nan 0.000 0.439 281 Y N 2.402 122.806 120.300 0.172 0.000 2.341 281 Y HA 0.498 5.044 4.550 -0.006 0.000 0.340 281 Y C 1.069 176.990 175.900 0.034 0.000 0.997 281 Y CA -1.061 57.136 58.100 0.162 0.000 1.149 281 Y CB 1.026 39.636 38.460 0.251 0.000 1.171 281 Y HN 0.255 nan 8.280 nan 0.000 0.494 282 R N 3.177 123.759 120.500 0.138 0.000 2.337 282 R HA 0.587 4.923 4.340 -0.006 0.000 0.319 282 R C -1.393 174.923 176.300 0.026 0.000 0.954 282 R CA -0.805 55.236 56.100 -0.097 0.000 0.840 282 R CB 2.076 32.371 30.300 -0.008 0.000 1.164 282 R HN 0.509 nan 8.270 nan 0.000 0.472 283 V N 1.893 121.733 119.914 -0.123 0.000 2.823 283 V HA 0.345 4.462 4.120 -0.006 0.000 0.312 283 V C 0.842 176.947 176.094 0.018 0.000 1.072 283 V CA -0.393 61.923 62.300 0.026 0.000 0.937 283 V CB 2.268 34.118 31.823 0.046 0.000 1.013 283 V HN 0.896 nan 8.190 nan 0.000 0.430 284 T N 1.745 116.349 114.554 0.083 0.000 3.107 284 T HA 0.596 4.942 4.350 -0.006 0.000 0.249 284 T C 0.705 175.496 174.700 0.152 0.000 1.096 284 T CA 0.571 62.749 62.100 0.131 0.000 1.012 284 T CB -0.138 68.731 68.868 0.002 0.000 0.977 284 T HN 1.594 nan 8.240 nan 0.000 0.527 285 G N -1.127 107.724 108.800 0.086 0.000 2.428 285 G HA2 0.563 4.519 3.960 -0.006 0.000 0.305 285 G HA3 0.563 4.519 3.960 -0.006 0.000 0.305 285 G C 0.059 175.011 174.900 0.087 0.000 1.260 285 G CA -0.123 45.063 45.100 0.144 0.000 0.853 285 G HN 0.969 nan 8.290 nan 0.000 0.480 286 G N -0.988 107.912 108.800 0.165 0.000 2.601 286 G HA2 0.231 4.187 3.960 -0.006 0.000 0.252 286 G HA3 0.231 4.187 3.960 -0.006 0.000 0.252 286 G C 0.268 175.187 174.900 0.033 0.000 1.294 286 G CA 0.961 46.163 45.100 0.171 0.000 0.912 286 G HN 2.051 nan 8.290 nan 0.000 0.574 287 I N -2.600 117.976 120.570 0.009 0.000 3.237 287 I HA 0.819 4.985 4.170 -0.006 0.000 0.308 287 I C 0.167 176.273 176.117 -0.019 0.000 1.093 287 I CA -1.538 59.791 61.300 0.047 0.000 1.001 287 I CB 1.698 39.752 38.000 0.091 0.000 1.245 287 I HN 0.540 nan 8.210 nan 0.000 0.485 288 L N 1.839 123.116 121.223 0.090 0.000 2.257 288 L HA 0.431 4.767 4.340 -0.006 0.000 0.290 288 L C -1.127 175.652 176.870 -0.152 0.000 1.044 288 L CA -0.014 54.827 54.840 0.002 0.000 0.810 288 L CB 0.750 42.982 42.059 0.289 0.000 1.193 288 L HN 0.611 nan 8.230 nan 0.000 0.425 289 D N 3.897 124.023 120.400 -0.457 0.000 2.375 289 D HA 0.332 4.968 4.640 -0.006 0.000 0.259 289 D C -1.130 174.662 176.300 -0.846 0.000 1.235 289 D CA -0.191 53.478 54.000 -0.552 0.000 0.924 289 D CB 0.611 41.168 40.800 -0.405 0.000 1.143 289 D HN 0.043 nan 8.370 nan 0.000 0.529 290 F N 2.373 121.724 119.950 -0.999 0.000 2.421 290 F HA 0.454 4.977 4.527 -0.007 0.000 0.337 290 F C -0.163 175.069 175.800 -0.946 0.000 1.105 290 F CA -0.596 56.817 58.000 -0.978 0.000 1.049 290 F CB 1.198 39.394 39.000 -1.340 0.000 1.139 290 F HN 0.165 nan 8.300 nan 0.000 0.479 291 Y N 3.429 123.549 120.300 -0.301 0.000 2.393 291 Y HA 0.640 5.186 4.550 -0.007 0.000 0.341 291 Y C -0.372 175.477 175.900 -0.084 0.000 0.988 291 Y CA -0.858 57.125 58.100 -0.195 0.000 1.078 291 Y CB 1.613 40.050 38.460 -0.039 0.000 1.203 291 Y HN 0.319 nan 8.280 nan 0.000 0.453 292 I N 4.597 125.190 120.570 0.039 0.000 2.418 292 I HA 0.333 4.499 4.170 -0.006 0.000 0.287 292 I C -1.470 174.697 176.117 0.082 0.000 1.008 292 I CA -0.624 60.705 61.300 0.049 0.000 1.104 292 I CB 1.332 39.303 38.000 -0.048 0.000 1.264 292 I HN 0.335 nan 8.210 nan 0.000 0.438 293 L N 7.628 128.950 121.223 0.165 0.000 2.342 293 L HA 0.477 4.813 4.340 -0.006 0.000 0.276 293 L C -0.591 176.396 176.870 0.194 0.000 0.997 293 L CA -0.232 54.704 54.840 0.160 0.000 0.838 293 L CB 1.170 43.331 42.059 0.170 0.000 1.224 293 L HN 0.367 nan 8.230 nan 0.000 0.416 294 L N 2.421 123.745 121.223 0.168 0.000 2.375 294 L HA 0.892 5.229 4.340 -0.006 0.000 0.271 294 L C 0.788 177.726 176.870 0.114 0.000 1.107 294 L CA 0.272 55.215 54.840 0.171 0.000 0.806 294 L CB 1.451 43.613 42.059 0.172 0.000 1.146 294 L HN 0.698 nan 8.230 nan 0.000 0.447 295 G N 0.216 109.064 108.800 0.081 0.000 2.704 295 G HA2 0.339 4.295 3.960 -0.006 0.000 0.293 295 G HA3 0.339 4.295 3.960 -0.006 0.000 0.293 295 G C -0.447 174.440 174.900 -0.021 0.000 1.421 295 G CA -0.401 44.710 45.100 0.019 0.000 0.870 295 G HN 0.462 nan 8.290 nan 0.000 0.492 296 D N -0.398 119.975 120.400 -0.045 0.000 2.234 296 D HA 0.083 4.719 4.640 -0.006 0.000 0.205 296 D C 1.541 177.733 176.300 -0.179 0.000 0.962 296 D CA 1.684 55.640 54.000 -0.073 0.000 0.855 296 D CB 0.455 41.230 40.800 -0.043 0.000 0.951 296 D HN 0.595 nan 8.370 nan 0.000 0.500 297 T N -3.849 110.571 114.554 -0.223 0.000 2.883 297 T HA 0.387 4.733 4.350 -0.006 0.000 0.296 297 T C -2.400 172.085 174.700 -0.359 0.000 1.117 297 T CA -1.741 60.112 62.100 -0.411 0.000 1.006 297 T CB 2.391 71.059 68.868 -0.333 0.000 1.191 297 T HN -0.389 nan 8.240 nan 0.000 0.508 298 P HA 0.003 nan 4.420 nan 0.000 0.215 298 P C 1.856 178.840 177.300 -0.526 0.000 1.153 298 P CA 2.075 64.858 63.100 -0.528 0.000 0.853 298 P CB -0.235 31.014 31.700 -0.752 0.000 0.788 299 E N 0.378 120.292 120.200 -0.477 0.000 2.118 299 E HA -0.307 4.039 4.350 -0.006 0.000 0.195 299 E C 2.046 178.595 176.600 -0.084 0.000 0.992 299 E CA 1.764 58.057 56.400 -0.179 0.000 0.804 299 E CB -1.641 28.050 29.700 -0.016 0.000 0.741 299 E HN 0.404 nan 8.360 nan 0.000 0.458 300 Q N -0.466 119.271 119.800 -0.104 0.000 2.172 300 Q HA -0.065 4.271 4.340 -0.006 0.000 0.200 300 Q C 2.387 178.370 176.000 -0.027 0.000 0.964 300 Q CA 1.276 57.046 55.803 -0.055 0.000 0.855 300 Q CB -0.079 28.623 28.738 -0.059 0.000 0.918 300 Q HN 0.484 nan 8.270 nan 0.000 0.444 301 V N -0.089 119.804 119.914 -0.036 0.000 2.307 301 V HA -0.235 3.881 4.120 -0.006 0.000 0.245 301 V C 2.263 178.410 176.094 0.089 0.000 1.045 301 V CA 1.454 63.775 62.300 0.036 0.000 1.024 301 V CB -0.439 31.399 31.823 0.026 0.000 0.651 301 V HN 0.236 nan 8.190 nan 0.000 0.449 302 V N -0.400 119.567 119.914 0.088 0.000 2.392 302 V HA -0.337 3.779 4.120 -0.006 0.000 0.249 302 V C 2.467 178.583 176.094 0.037 0.000 1.059 302 V CA 2.046 64.416 62.300 0.117 0.000 1.051 302 V CB -0.732 31.191 31.823 0.168 0.000 0.658 302 V HN 0.596 nan 8.190 nan 0.000 0.455 303 Q N -0.980 118.825 119.800 0.009 0.000 2.084 303 Q HA -0.220 4.117 4.340 -0.006 0.000 0.202 303 Q C 2.481 178.445 176.000 -0.059 0.000 0.978 303 Q CA 1.338 57.125 55.803 -0.027 0.000 0.844 303 Q CB -0.183 28.548 28.738 -0.012 0.000 0.898 303 Q HN 0.576 nan 8.270 nan 0.000 0.426 304 Q N -0.408 119.374 119.800 -0.030 0.000 2.124 304 Q HA -0.184 4.152 4.340 -0.006 0.000 0.202 304 Q C 1.830 177.765 176.000 -0.108 0.000 0.977 304 Q CA 1.239 57.016 55.803 -0.043 0.000 0.850 304 Q CB -0.276 28.469 28.738 0.012 0.000 0.901 304 Q HN 0.481 nan 8.270 nan 0.000 0.429 305 Y N 1.392 121.524 120.300 -0.281 0.000 2.200 305 Y HA -0.200 4.346 4.550 -0.006 0.000 0.290 305 Y C 2.163 177.763 175.900 -0.500 0.000 1.137 305 Y CA 1.759 59.553 58.100 -0.511 0.000 1.163 305 Y CB -0.067 37.832 38.460 -0.935 0.000 0.988 305 Y HN 0.103 nan 8.280 nan 0.000 0.518 306 Q N -0.401 119.109 119.800 -0.483 0.000 2.167 306 Q HA -0.195 4.141 4.340 -0.006 0.000 0.202 306 Q C 2.582 178.297 176.000 -0.474 0.000 0.970 306 Q CA 1.818 57.299 55.803 -0.537 0.000 0.855 306 Q CB -0.230 28.319 28.738 -0.315 0.000 0.911 306 Q HN 0.745 nan 8.270 nan 0.000 0.438 307 Q N 0.723 120.327 119.800 -0.326 0.000 2.030 307 Q HA -0.190 4.147 4.340 -0.006 0.000 0.204 307 Q C 1.986 177.838 176.000 -0.247 0.000 0.986 307 Q CA 1.787 57.452 55.803 -0.229 0.000 0.843 307 Q CB -1.069 27.588 28.738 -0.135 0.000 0.904 307 Q HN 0.435 nan 8.270 nan 0.000 0.420 308 L N -0.164 120.851 121.223 -0.345 0.000 2.017 308 L HA -0.071 4.265 4.340 -0.006 0.000 0.208 308 L C 2.401 178.998 176.870 -0.454 0.000 1.073 308 L CA 2.280 56.884 54.840 -0.393 0.000 0.745 308 L CB -0.386 41.348 42.059 -0.541 0.000 0.894 308 L HN 0.271 nan 8.230 nan 0.000 0.432 309 V N -0.586 118.876 119.914 -0.754 0.000 2.992 309 V HA 0.441 4.557 4.120 -0.006 0.000 0.250 309 V C 0.859 176.495 176.094 -0.764 0.000 1.090 309 V CA 0.646 62.460 62.300 -0.810 0.000 1.101 309 V CB -0.378 30.710 31.823 -1.224 0.000 0.743 309 V HN 0.711 nan 8.190 nan 0.000 0.468 310 G N -0.018 108.207 108.800 -0.959 0.000 2.634 310 G HA2 0.060 4.016 3.960 -0.006 0.000 0.568 310 G HA3 0.060 4.016 3.960 -0.006 0.000 0.568 310 G C -1.115 173.369 174.900 -0.693 0.000 1.495 310 G CA -0.996 43.380 45.100 -1.207 0.000 0.903 310 G HN 0.129 nan 8.290 nan 0.000 0.646 311 L N 3.506 124.379 121.223 -0.583 0.000 2.417 311 L HA 0.475 4.811 4.340 -0.006 0.000 0.268 311 L C -1.255 175.417 176.870 -0.330 0.000 1.158 311 L CA -1.765 52.823 54.840 -0.418 0.000 0.819 311 L CB 0.955 42.750 42.059 -0.440 0.000 1.112 311 L HN 0.405 nan 8.230 nan 0.000 0.458 312 P HA 0.074 nan 4.420 nan 0.000 0.272 312 P C -0.797 176.504 177.300 0.002 0.000 1.223 312 P CA -0.447 62.588 63.100 -0.107 0.000 0.784 312 P CB 0.699 32.376 31.700 -0.038 0.000 0.923 313 A N 3.041 125.854 122.820 -0.011 0.000 2.445 313 A HA 0.274 4.590 4.320 -0.006 0.000 0.242 313 A C 0.505 178.078 177.584 -0.019 0.000 1.075 313 A CA -0.239 51.812 52.037 0.024 0.000 0.777 313 A CB -0.398 18.569 19.000 -0.054 0.000 1.013 313 A HN 0.628 nan 8.150 nan 0.000 0.493 314 M N 4.845 124.314 119.600 -0.218 0.000 2.188 314 M HA 0.348 4.824 4.480 -0.006 0.000 0.354 314 M C -2.044 174.091 176.300 -0.275 0.000 1.342 314 M CA -1.625 53.455 55.300 -0.367 0.000 1.117 314 M CB 0.606 32.771 32.600 -0.724 0.000 1.670 314 M HN 0.483 nan 8.290 nan 0.000 0.466 315 P HA 0.307 nan 4.420 nan 0.000 0.276 315 P C -1.357 175.817 177.300 -0.209 0.000 1.252 315 P CA -0.559 62.346 63.100 -0.325 0.000 0.802 315 P CB 0.489 31.853 31.700 -0.561 0.000 1.035 316 A N 0.925 123.588 122.820 -0.262 0.000 2.425 316 A HA 0.057 4.373 4.320 -0.006 0.000 0.249 316 A C 1.092 178.562 177.584 -0.190 0.000 1.084 316 A CA -0.280 51.638 52.037 -0.199 0.000 0.781 316 A CB -0.620 18.150 19.000 -0.384 0.000 1.019 316 A HN 0.667 nan 8.150 nan 0.000 0.490 317 Y N 1.775 121.986 120.300 -0.149 0.000 2.151 317 Y HA -0.286 4.260 4.550 -0.006 0.000 0.284 317 Y C 2.163 177.967 175.900 -0.161 0.000 1.166 317 Y CA 3.041 60.992 58.100 -0.249 0.000 1.163 317 Y CB -0.104 38.088 38.460 -0.447 0.000 0.974 317 Y HN 0.886 nan 8.280 nan 0.000 0.511 318 W N 0.070 121.378 121.300 0.012 0.000 2.525 318 W HA -0.133 4.523 4.660 -0.006 0.000 0.259 318 W C 1.037 177.457 176.519 -0.165 0.000 1.253 318 W CA 0.883 58.196 57.345 -0.053 0.000 1.262 318 W CB -1.197 28.247 29.460 -0.028 0.000 1.122 318 W HN 0.127 nan 8.180 nan 0.000 0.607 319 N N 2.001 120.202 118.700 -0.831 0.000 2.272 319 N HA -0.155 4.581 4.740 -0.006 0.000 0.185 319 N C 1.763 177.040 175.510 -0.388 0.000 1.014 319 N CA 1.784 54.358 53.050 -0.793 0.000 0.870 319 N CB -0.838 37.261 38.487 -0.646 0.000 0.975 319 N HN 0.348 nan 8.380 nan 0.000 0.433 320 L N -0.638 120.380 121.223 -0.341 0.000 2.509 320 L HA 0.218 4.554 4.340 -0.006 0.000 0.222 320 L C 1.367 178.095 176.870 -0.236 0.000 1.123 320 L CA -0.281 54.395 54.840 -0.273 0.000 0.856 320 L CB -0.532 41.305 42.059 -0.371 0.000 0.985 320 L HN 0.005 nan 8.230 nan 0.000 0.456 321 G N -0.210 108.482 108.800 -0.180 0.000 2.594 321 G HA2 0.087 4.043 3.960 -0.006 0.000 0.243 321 G HA3 0.087 4.043 3.960 -0.006 0.000 0.243 321 G C -0.722 174.254 174.900 0.128 0.000 1.229 321 G CA -0.385 44.695 45.100 -0.034 0.000 0.843 321 G HN -0.061 nan 8.290 nan 0.000 0.578 322 F N 0.279 120.356 119.950 0.212 0.000 2.471 322 F HA 0.314 4.837 4.527 -0.007 0.000 0.353 322 F C 0.695 176.589 175.800 0.157 0.000 1.113 322 F CA -0.062 58.031 58.000 0.154 0.000 1.262 322 F CB 0.814 39.969 39.000 0.259 0.000 1.146 322 F HN 0.372 nan 8.300 nan 0.000 0.578 323 Q N 6.095 125.430 119.800 -0.774 0.000 2.353 323 Q HA 0.539 4.875 4.340 -0.006 0.000 0.268 323 Q C -1.333 174.211 176.000 -0.759 0.000 1.045 323 Q CA -0.946 54.538 55.803 -0.531 0.000 0.811 323 Q CB 2.833 31.325 28.738 -0.411 0.000 1.305 323 Q HN 0.631 nan 8.270 nan 0.000 0.447 324 L N 0.981 122.039 121.223 -0.275 0.000 2.334 324 L HA 0.737 5.073 4.340 -0.006 0.000 0.273 324 L C -0.266 176.651 176.870 0.078 0.000 1.013 324 L CA -0.486 54.262 54.840 -0.153 0.000 0.816 324 L CB 2.037 44.029 42.059 -0.111 0.000 1.278 324 L HN 0.607 nan 8.230 nan 0.000 0.431 325 S N 1.900 117.707 115.700 0.177 0.000 2.578 325 S HA 0.754 5.220 4.470 -0.006 0.000 0.272 325 S C -1.701 173.074 174.600 0.291 0.000 1.145 325 S CA -0.778 57.635 58.200 0.354 0.000 0.835 325 S CB 1.769 65.123 63.200 0.258 0.000 1.104 325 S HN 0.769 nan 8.310 nan 0.000 0.458 326 R N 1.074 121.670 120.500 0.160 0.000 2.664 326 R HA 0.484 4.821 4.340 -0.006 0.000 0.266 326 R C -2.194 174.105 176.300 -0.002 0.000 1.046 326 R CA -0.896 55.079 56.100 -0.208 0.000 0.885 326 R CB 0.068 30.024 30.300 -0.572 0.000 1.254 326 R HN 0.516 nan 8.270 nan 0.000 0.465 327 W N 4.337 125.518 121.300 -0.197 0.000 2.345 327 W HA 0.364 5.020 4.660 -0.007 0.000 0.308 327 W C -0.398 176.011 176.519 -0.184 0.000 1.273 327 W CA -0.236 57.076 57.345 -0.055 0.000 1.243 327 W CB 0.038 29.522 29.460 0.040 0.000 1.260 327 W HN 0.888 nan 8.180 nan 0.000 0.509 328 N N 5.214 123.973 118.700 0.098 0.000 2.531 328 N HA -0.281 4.456 4.740 -0.006 0.000 0.279 328 N C -0.419 175.031 175.510 -0.101 0.000 1.267 328 N CA 0.596 53.593 53.050 -0.089 0.000 0.663 328 N CB -1.514 36.710 38.487 -0.438 0.000 0.886 328 N HN 0.522 nan 8.380 nan 0.000 0.544 329 Y N 1.288 121.676 120.300 0.146 0.000 2.544 329 Y HA 0.083 4.629 4.550 -0.006 0.000 0.286 329 Y C 2.164 178.118 175.900 0.090 0.000 1.141 329 Y CA 1.900 60.082 58.100 0.136 0.000 1.299 329 Y CB -0.181 38.406 38.460 0.211 0.000 1.030 329 Y HN 0.731 nan 8.280 nan 0.000 0.543 330 K N 0.063 120.620 120.400 0.262 0.000 4.998 330 K HA -0.269 4.047 4.320 -0.006 0.000 0.444 330 K C 0.681 177.390 176.600 0.182 0.000 0.393 330 K CA 1.416 57.806 56.287 0.172 0.000 1.908 330 K CB -2.315 30.220 32.500 0.058 0.000 0.757 330 K HN 0.689 nan 8.250 nan 0.000 0.588 331 S N -1.800 113.905 115.700 0.007 0.000 2.570 331 S HA 0.678 5.145 4.470 -0.006 0.000 0.270 331 S C 0.459 174.609 174.600 -0.750 0.000 1.149 331 S CA -0.021 57.960 58.200 -0.364 0.000 0.837 331 S CB 1.698 64.785 63.200 -0.189 0.000 1.124 331 S HN 1.443 nan 8.310 nan 0.000 0.465 332 L N 1.277 121.788 121.223 -1.187 0.000 2.261 332 L HA 0.024 4.360 4.340 -0.006 0.000 0.216 332 L C 1.354 177.890 176.870 -0.556 0.000 1.114 332 L CA 2.091 56.341 54.840 -0.983 0.000 0.777 332 L CB -1.009 40.604 42.059 -0.745 0.000 0.910 332 L HN 0.813 nan 8.230 nan 0.000 0.440 333 D N -1.230 118.949 120.400 -0.369 0.000 2.144 333 D HA -0.136 4.500 4.640 -0.006 0.000 0.200 333 D C 2.305 178.490 176.300 -0.192 0.000 0.978 333 D CA 1.443 55.307 54.000 -0.225 0.000 0.833 333 D CB -0.246 40.469 40.800 -0.143 0.000 0.961 333 D HN 0.250 nan 8.370 nan 0.000 0.470 334 V N 0.869 120.680 119.914 -0.172 0.000 2.379 334 V HA -0.176 3.940 4.120 -0.006 0.000 0.245 334 V C 2.772 178.768 176.094 -0.165 0.000 1.044 334 V CA 1.728 63.982 62.300 -0.078 0.000 1.036 334 V CB -1.020 30.849 31.823 0.077 0.000 0.664 334 V HN 0.218 nan 8.190 nan 0.000 0.453 335 V N 0.022 119.715 119.914 -0.369 0.000 2.252 335 V HA -0.353 3.763 4.120 -0.006 0.000 0.249 335 V C 2.438 178.315 176.094 -0.361 0.000 1.056 335 V CA 3.109 65.038 62.300 -0.618 0.000 1.022 335 V CB -0.720 30.676 31.823 -0.712 0.000 0.641 335 V HN 0.427 nan 8.190 nan 0.000 0.445 336 K N -0.049 120.146 120.400 -0.342 0.000 2.032 336 K HA -0.166 4.151 4.320 -0.006 0.000 0.209 336 K C 2.419 178.994 176.600 -0.042 0.000 1.048 336 K CA 2.004 58.218 56.287 -0.121 0.000 0.927 336 K CB -0.340 32.087 32.500 -0.122 0.000 0.712 336 K HN 0.768 nan 8.250 nan 0.000 0.441 337 E N 0.787 120.940 120.200 -0.079 0.000 2.110 337 E HA -0.132 4.215 4.350 -0.006 0.000 0.193 337 E C 2.020 178.597 176.600 -0.038 0.000 0.988 337 E CA 1.655 58.025 56.400 -0.050 0.000 0.804 337 E CB -0.955 28.709 29.700 -0.060 0.000 0.745 337 E HN 0.134 nan 8.360 nan 0.000 0.458 338 V N 0.618 120.499 119.914 -0.055 0.000 2.307 338 V HA -0.230 3.887 4.120 -0.006 0.000 0.245 338 V C 2.672 178.773 176.094 0.011 0.000 1.045 338 V CA 1.687 63.973 62.300 -0.024 0.000 1.024 338 V CB -0.187 31.645 31.823 0.015 0.000 0.651 338 V HN 0.513 nan 8.190 nan 0.000 0.449 339 V N 1.394 121.345 119.914 0.062 0.000 2.255 339 V HA -0.304 3.812 4.120 -0.006 0.000 0.247 339 V C 2.650 178.830 176.094 0.144 0.000 1.051 339 V CA 2.683 65.095 62.300 0.187 0.000 1.018 339 V CB -0.943 31.038 31.823 0.263 0.000 0.641 339 V HN 0.741 nan 8.190 nan 0.000 0.445 340 R N 1.940 122.483 120.500 0.072 0.000 2.115 340 R HA -0.159 4.177 4.340 -0.006 0.000 0.226 340 R C 2.265 178.591 176.300 0.042 0.000 1.100 340 R CA 1.719 57.845 56.100 0.043 0.000 0.980 340 R CB -0.699 29.614 30.300 0.021 0.000 0.875 340 R HN 0.617 nan 8.270 nan 0.000 0.445 341 R N 0.126 120.644 120.500 0.030 0.000 2.148 341 R HA 0.072 4.408 4.340 -0.006 0.000 0.223 341 R C 1.371 177.691 176.300 0.033 0.000 1.088 341 R CA 1.475 57.588 56.100 0.022 0.000 0.985 341 R CB -0.420 29.885 30.300 0.008 0.000 0.880 341 R HN 0.271 nan 8.270 nan 0.000 0.451 342 N N 0.770 119.491 118.700 0.035 0.000 2.336 342 N HA 0.005 4.741 4.740 -0.006 0.000 0.177 342 N C 1.636 177.231 175.510 0.141 0.000 1.018 342 N CA 0.614 53.678 53.050 0.024 0.000 0.878 342 N CB -0.029 38.351 38.487 -0.178 0.000 0.997 342 N HN 0.287 nan 8.380 nan 0.000 0.433 343 R N 1.327 121.961 120.500 0.224 0.000 2.091 343 R HA -0.144 4.192 4.340 -0.006 0.000 0.238 343 R C 1.956 178.315 176.300 0.099 0.000 1.136 343 R CA 1.147 57.362 56.100 0.191 0.000 0.959 343 R CB -0.246 30.115 30.300 0.102 0.000 0.856 343 R HN 0.421 nan 8.270 nan 0.000 0.437 344 E N 0.525 120.766 120.200 0.069 0.000 2.150 344 E HA -0.126 4.220 4.350 -0.006 0.000 0.193 344 E C 1.495 178.116 176.600 0.036 0.000 0.985 344 E CA 1.021 57.447 56.400 0.043 0.000 0.814 344 E CB 0.031 29.749 29.700 0.030 0.000 0.752 344 E HN 0.351 nan 8.360 nan 0.000 0.466 345 A N 0.043 122.887 122.820 0.040 0.000 2.235 345 A HA 0.220 4.536 4.320 -0.006 0.000 0.208 345 A C 1.664 179.263 177.584 0.025 0.000 1.172 345 A CA 0.867 52.921 52.037 0.029 0.000 0.786 345 A CB -0.488 18.529 19.000 0.029 0.000 0.804 345 A HN 0.471 nan 8.150 nan 0.000 0.479 346 G N -0.643 108.180 108.800 0.040 0.000 2.143 346 G HA2 -0.202 3.754 3.960 -0.006 0.000 0.248 346 G HA3 -0.202 3.754 3.960 -0.006 0.000 0.248 346 G C 0.040 174.951 174.900 0.018 0.000 0.991 346 G CA 0.144 45.260 45.100 0.026 0.000 0.689 346 G HN 0.349 nan 8.290 nan 0.000 0.522 347 I N 1.470 122.071 120.570 0.053 0.000 2.517 347 I HA 0.175 4.341 4.170 -0.006 0.000 0.285 347 I C -1.811 174.383 176.117 0.127 0.000 1.106 347 I CA -2.223 59.105 61.300 0.045 0.000 1.402 347 I CB 0.412 38.433 38.000 0.034 0.000 1.399 347 I HN -0.092 nan 8.210 nan 0.000 0.535 348 P HA 0.199 nan 4.420 nan 0.000 0.276 348 P C -0.902 176.517 177.300 0.199 0.000 1.264 348 P CA 0.156 63.142 63.100 -0.189 0.000 0.769 348 P CB -0.105 31.148 31.700 -0.745 0.000 0.840 349 F N 0.378 120.378 119.950 0.084 0.000 2.605 349 F HA 0.475 4.998 4.527 -0.006 0.000 0.320 349 F C -0.036 175.891 175.800 0.211 0.000 1.159 349 F CA -0.894 57.285 58.000 0.298 0.000 0.999 349 F CB 1.385 40.620 39.000 0.391 0.000 1.258 349 F HN -0.015 nan 8.300 nan 0.000 0.464 350 D N 1.137 121.667 120.400 0.217 0.000 2.216 350 D HA 0.052 4.688 4.640 -0.006 0.000 0.208 350 D C 0.643 176.922 176.300 -0.035 0.000 0.960 350 D CA 1.695 55.740 54.000 0.075 0.000 0.861 350 D CB 0.505 41.448 40.800 0.238 0.000 0.985 350 D HN 0.667 nan 8.370 nan 0.000 0.493 351 T N -1.157 113.448 114.554 0.084 0.000 2.900 351 T HA 0.497 4.843 4.350 -0.006 0.000 0.295 351 T C -1.503 173.312 174.700 0.192 0.000 1.044 351 T CA -0.874 61.278 62.100 0.087 0.000 0.995 351 T CB 1.822 70.773 68.868 0.139 0.000 1.072 351 T HN -0.209 nan 8.240 nan 0.000 0.473 352 Q N 2.842 122.765 119.800 0.206 0.000 2.341 352 Q HA 0.684 5.020 4.340 -0.006 0.000 0.268 352 Q C -0.726 175.438 176.000 0.273 0.000 1.013 352 Q CA -0.550 55.438 55.803 0.310 0.000 0.798 352 Q CB 0.974 29.950 28.738 0.398 0.000 1.253 352 Q HN 0.974 nan 8.270 nan 0.000 0.457 353 V N 2.378 122.429 119.914 0.227 0.000 2.863 353 V HA 0.846 4.962 4.120 -0.006 0.000 0.307 353 V C -0.122 176.185 176.094 0.354 0.000 1.061 353 V CA -0.256 62.164 62.300 0.200 0.000 1.024 353 V CB 2.166 34.063 31.823 0.124 0.000 1.049 353 V HN 0.710 nan 8.190 nan 0.000 0.471 354 T N 2.897 117.640 114.554 0.314 0.000 3.031 354 T HA 0.373 4.719 4.350 -0.006 0.000 0.305 354 T C -0.580 174.373 174.700 0.421 0.000 0.985 354 T CA -0.359 61.998 62.100 0.428 0.000 1.008 354 T CB 0.640 69.741 68.868 0.389 0.000 1.005 354 T HN 0.995 nan 8.240 nan 0.000 0.444 355 D N 1.781 122.460 120.400 0.465 0.000 2.376 355 D HA 0.195 4.831 4.640 -0.006 0.000 0.268 355 D C 1.984 178.385 176.300 0.170 0.000 1.252 355 D CA -0.429 53.738 54.000 0.278 0.000 1.041 355 D CB 0.609 41.607 40.800 0.330 0.000 1.109 355 D HN 0.666 nan 8.370 nan 0.000 0.552 356 I N -1.230 119.270 120.570 -0.117 0.000 2.850 356 I HA -0.165 4.001 4.170 -0.006 0.000 0.266 356 I C 1.293 177.260 176.117 -0.250 0.000 1.257 356 I CA 0.908 62.026 61.300 -0.304 0.000 1.465 356 I CB -0.459 37.253 38.000 -0.480 0.000 1.091 356 I HN 0.169 nan 8.210 nan 0.000 0.467 357 D N 1.809 122.189 120.400 -0.033 0.000 2.310 357 D HA -0.284 4.352 4.640 -0.006 0.000 0.212 357 D C 2.029 178.129 176.300 -0.335 0.000 0.965 357 D CA 1.217 55.204 54.000 -0.022 0.000 0.879 357 D CB -0.796 40.125 40.800 0.200 0.000 0.921 357 D HN 0.748 nan 8.370 nan 0.000 0.510 358 Y N 0.836 120.810 120.300 -0.544 0.000 2.421 358 Y HA 0.135 4.681 4.550 -0.006 0.000 0.292 358 Y C 1.232 176.878 175.900 -0.423 0.000 1.136 358 Y CA -0.355 57.128 58.100 -1.029 0.000 1.255 358 Y CB -0.537 37.641 38.460 -0.470 0.000 0.991 358 Y HN -0.196 nan 8.280 nan 0.000 0.552 359 M N 1.543 120.631 119.600 -0.853 0.000 2.227 359 M HA 0.108 4.584 4.480 -0.006 0.000 0.316 359 M C 0.111 176.262 176.300 -0.248 0.000 1.144 359 M CA -0.277 54.668 55.300 -0.592 0.000 1.121 359 M CB 0.700 32.885 32.600 -0.691 0.000 1.440 359 M HN 0.161 nan 8.290 nan 0.000 0.473 360 E N 1.544 121.655 120.200 -0.147 0.000 2.180 360 E HA -0.012 4.334 4.350 -0.006 0.000 0.283 360 E C -0.797 175.727 176.600 -0.127 0.000 1.061 360 E CA -0.237 56.102 56.400 -0.102 0.000 0.861 360 E CB 0.264 29.917 29.700 -0.078 0.000 1.056 360 E HN 0.614 nan 8.360 nan 0.000 0.407 361 D N 4.888 125.233 120.400 -0.092 0.000 2.701 361 D HA -0.226 4.410 4.640 -0.006 0.000 0.235 361 D C -0.409 175.835 176.300 -0.095 0.000 1.155 361 D CA 1.316 55.270 54.000 -0.077 0.000 0.649 361 D CB -0.733 40.017 40.800 -0.082 0.000 1.050 361 D HN 0.799 nan 8.370 nan 0.000 0.425 362 K N -3.915 116.409 120.400 -0.127 0.000 3.069 362 K HA -0.243 4.073 4.320 -0.006 0.000 0.267 362 K C 0.541 177.047 176.600 -0.158 0.000 1.082 362 K CA 1.586 57.786 56.287 -0.145 0.000 0.782 362 K CB -2.104 30.386 32.500 -0.017 0.000 1.230 362 K HN 0.630 nan 8.250 nan 0.000 0.488 363 K N 1.676 121.951 120.400 -0.208 0.000 2.201 363 K HA 0.242 4.558 4.320 -0.006 0.000 0.278 363 K C -0.157 176.339 176.600 -0.174 0.000 1.027 363 K CA -0.531 55.628 56.287 -0.213 0.000 0.909 363 K CB 0.613 32.874 32.500 -0.399 0.000 1.062 363 K HN 0.130 nan 8.250 nan 0.000 0.465 364 D N 1.053 121.400 120.400 -0.087 0.000 2.472 364 D HA 0.209 4.845 4.640 -0.006 0.000 0.237 364 D C 0.086 176.268 176.300 -0.196 0.000 1.141 364 D CA 0.592 54.418 54.000 -0.291 0.000 0.875 364 D CB -0.234 40.413 40.800 -0.256 0.000 1.192 364 D HN 0.551 nan 8.370 nan 0.000 0.450 365 F N -1.535 118.149 119.950 -0.443 0.000 3.018 365 F HA -0.264 4.259 4.527 -0.006 0.000 0.287 365 F C 0.850 176.378 175.800 -0.453 0.000 0.813 365 F CA 0.857 58.337 58.000 -0.866 0.000 1.209 365 F CB -2.548 36.222 39.000 -0.384 0.000 1.321 365 F HN 0.321 nan 8.300 nan 0.000 0.477 366 T N -2.488 112.016 114.554 -0.084 0.000 2.838 366 T HA 0.811 5.158 4.350 -0.006 0.000 0.292 366 T C -0.811 174.169 174.700 0.467 0.000 1.113 366 T CA -0.487 61.782 62.100 0.282 0.000 1.008 366 T CB 3.211 72.151 68.868 0.120 0.000 1.259 366 T HN 0.602 nan 8.240 nan 0.000 0.520 367 Y N -0.972 119.516 120.300 0.315 0.000 2.553 367 Y HA 0.673 5.219 4.550 -0.007 0.000 0.347 367 Y C -0.929 175.066 175.900 0.158 0.000 1.019 367 Y CA -1.322 56.932 58.100 0.258 0.000 1.032 367 Y CB 1.348 40.072 38.460 0.439 0.000 1.284 367 Y HN 0.619 nan 8.280 nan 0.000 0.466 368 D N 3.064 123.510 120.400 0.076 0.000 2.346 368 D HA 0.017 4.653 4.640 -0.006 0.000 0.267 368 D C 0.646 176.936 176.300 -0.016 0.000 1.320 368 D CA 0.389 54.403 54.000 0.023 0.000 0.951 368 D CB 1.007 41.887 40.800 0.134 0.000 1.079 368 D HN 0.694 nan 8.370 nan 0.000 0.509 369 Q N 2.451 122.124 119.800 -0.212 0.000 2.364 369 Q HA -0.064 4.272 4.340 -0.006 0.000 0.209 369 Q C 1.460 177.456 176.000 -0.007 0.000 0.977 369 Q CA 0.715 56.396 55.803 -0.204 0.000 0.885 369 Q CB 0.341 28.956 28.738 -0.204 0.000 0.941 369 Q HN 0.450 nan 8.270 nan 0.000 0.464 370 V N 0.288 120.223 119.914 0.034 0.000 2.465 370 V HA -0.004 4.112 4.120 -0.006 0.000 0.230 370 V C 2.146 178.291 176.094 0.086 0.000 1.084 370 V CA 1.441 63.773 62.300 0.052 0.000 1.092 370 V CB -1.076 30.770 31.823 0.038 0.000 0.730 370 V HN 0.240 nan 8.190 nan 0.000 0.491 371 A N -1.212 121.685 122.820 0.128 0.000 2.066 371 A HA 0.018 4.334 4.320 -0.006 0.000 0.218 371 A C 1.491 179.113 177.584 0.063 0.000 1.157 371 A CA 1.266 53.366 52.037 0.106 0.000 0.670 371 A CB -0.478 18.615 19.000 0.154 0.000 0.804 371 A HN 0.496 nan 8.150 nan 0.000 0.453 372 F N 0.305 120.318 119.950 0.106 0.000 2.963 372 F HA 0.290 4.813 4.527 -0.007 0.000 0.321 372 F C 0.384 176.321 175.800 0.230 0.000 1.234 372 F CA -1.100 57.001 58.000 0.168 0.000 1.296 372 F CB -0.300 38.872 39.000 0.286 0.000 0.981 372 F HN 0.085 nan 8.300 nan 0.000 0.507 373 N N 0.703 119.532 118.700 0.216 0.000 2.497 373 N HA 0.388 5.124 4.740 -0.006 0.000 0.268 373 N C 0.945 176.550 175.510 0.158 0.000 1.171 373 N CA 1.387 54.556 53.050 0.199 0.000 0.948 373 N CB 0.761 39.309 38.487 0.101 0.000 1.069 373 N HN 0.505 nan 8.380 nan 0.000 0.460 374 G N 2.355 111.277 108.800 0.204 0.000 2.130 374 G HA2 -0.261 3.695 3.960 -0.006 0.000 0.216 374 G HA3 -0.261 3.695 3.960 -0.006 0.000 0.216 374 G C 0.664 175.634 174.900 0.116 0.000 0.999 374 G CA 0.236 45.413 45.100 0.128 0.000 0.686 374 G HN 0.561 nan 8.290 nan 0.000 0.515 375 L N 0.995 122.298 121.223 0.134 0.000 1.989 375 L HA 0.109 4.445 4.340 -0.006 0.000 0.211 375 L C 0.360 177.200 176.870 -0.049 0.000 1.071 375 L CA 3.226 58.085 54.840 0.032 0.000 0.749 375 L CB -0.783 41.214 42.059 -0.104 0.000 0.890 375 L HN 0.223 nan 8.230 nan 0.000 0.431 376 P HA -0.126 nan 4.420 nan 0.000 0.221 376 P C 1.272 178.534 177.300 -0.064 0.000 1.150 376 P CA 1.015 64.037 63.100 -0.131 0.000 0.800 376 P CB 0.078 31.701 31.700 -0.128 0.000 0.787 377 Q N -1.661 118.136 119.800 -0.005 0.000 2.083 377 Q HA -0.084 4.252 4.340 -0.006 0.000 0.198 377 Q C 1.871 177.882 176.000 0.018 0.000 0.969 377 Q CA 1.189 56.998 55.803 0.010 0.000 0.838 377 Q CB -1.233 27.527 28.738 0.037 0.000 0.900 377 Q HN 0.249 nan 8.270 nan 0.000 0.436 378 F N 0.142 120.030 119.950 -0.104 0.000 2.102 378 F HA -0.187 4.337 4.527 -0.006 0.000 0.298 378 F C 1.784 177.467 175.800 -0.195 0.000 1.105 378 F CA 0.943 58.864 58.000 -0.133 0.000 1.239 378 F CB -0.347 38.568 39.000 -0.142 0.000 0.991 378 F HN -0.139 nan 8.300 nan 0.000 0.474 379 V N 0.711 120.425 119.914 -0.334 0.000 2.282 379 V HA -0.384 3.732 4.120 -0.006 0.000 0.249 379 V C 2.446 178.372 176.094 -0.280 0.000 1.057 379 V CA 2.319 64.335 62.300 -0.473 0.000 1.032 379 V CB -1.029 30.602 31.823 -0.320 0.000 0.645 379 V HN 0.441 nan 8.190 nan 0.000 0.447 380 Q N 0.565 120.297 119.800 -0.114 0.000 2.096 380 Q HA -0.263 4.073 4.340 -0.006 0.000 0.204 380 Q C 1.818 177.770 176.000 -0.079 0.000 0.982 380 Q CA 2.487 58.278 55.803 -0.021 0.000 0.850 380 Q CB -0.625 28.091 28.738 -0.036 0.000 0.901 380 Q HN 0.753 nan 8.270 nan 0.000 0.422 381 D N -1.112 119.187 120.400 -0.168 0.000 2.144 381 D HA -0.135 4.501 4.640 -0.006 0.000 0.199 381 D C 1.753 177.967 176.300 -0.145 0.000 0.984 381 D CA 1.115 55.043 54.000 -0.120 0.000 0.834 381 D CB -0.076 40.645 40.800 -0.132 0.000 0.955 381 D HN 0.355 nan 8.370 nan 0.000 0.465 382 L N -0.531 120.420 121.223 -0.454 0.000 1.994 382 L HA -0.186 4.150 4.340 -0.006 0.000 0.208 382 L C 2.340 179.032 176.870 -0.297 0.000 1.071 382 L CA 1.584 56.142 54.840 -0.468 0.000 0.745 382 L CB -0.679 40.973 42.059 -0.678 0.000 0.892 382 L HN 0.262 nan 8.230 nan 0.000 0.431 383 H N -0.715 118.246 119.070 -0.182 0.000 2.422 383 H HA -0.183 4.369 4.556 -0.006 0.000 0.298 383 H C 1.835 177.094 175.328 -0.115 0.000 1.098 383 H CA 1.381 57.343 56.048 -0.143 0.000 1.315 383 H CB -0.022 29.657 29.762 -0.137 0.000 1.382 383 H HN 0.309 nan 8.280 nan 0.000 0.523 384 D N -0.194 120.209 120.400 0.006 0.000 2.218 384 D HA -0.103 4.533 4.640 -0.006 0.000 0.204 384 D C 1.108 177.283 176.300 -0.208 0.000 0.976 384 D CA 1.244 55.188 54.000 -0.092 0.000 0.853 384 D CB -0.129 40.602 40.800 -0.115 0.000 0.939 384 D HN 0.591 nan 8.370 nan 0.000 0.481 385 H N -1.245 117.754 119.070 -0.118 0.000 2.529 385 H HA 0.346 4.898 4.556 -0.006 0.000 0.277 385 H C 1.273 176.526 175.328 -0.126 0.000 1.004 385 H CA 0.471 56.446 56.048 -0.122 0.000 1.167 385 H CB 0.546 30.215 29.762 -0.154 0.000 1.445 385 H HN 0.092 nan 8.280 nan 0.000 0.554 386 G N 0.757 109.538 108.800 -0.031 0.000 2.176 386 G HA2 -0.293 3.664 3.960 -0.006 0.000 0.252 386 G HA3 -0.293 3.664 3.960 -0.006 0.000 0.252 386 G C 0.065 174.903 174.900 -0.104 0.000 1.024 386 G CA 0.055 45.124 45.100 -0.052 0.000 0.755 386 G HN 0.451 nan 8.290 nan 0.000 0.507 387 Q N -0.915 118.783 119.800 -0.170 0.000 2.252 387 Q HA 0.740 5.077 4.340 -0.006 0.000 0.256 387 Q C 0.076 175.868 176.000 -0.347 0.000 1.020 387 Q CA -0.813 54.834 55.803 -0.259 0.000 0.913 387 Q CB 1.244 29.784 28.738 -0.330 0.000 1.286 387 Q HN 0.134 nan 8.270 nan 0.000 0.480 388 K N 0.441 120.642 120.400 -0.331 0.000 2.400 388 K HA 0.426 4.742 4.320 -0.006 0.000 0.246 388 K C -1.613 174.905 176.600 -0.138 0.000 0.995 388 K CA -0.759 55.291 56.287 -0.396 0.000 0.840 388 K CB 1.825 33.877 32.500 -0.748 0.000 1.293 388 K HN 0.542 nan 8.250 nan 0.000 0.445 389 Y N 0.508 120.684 120.300 -0.208 0.000 2.329 389 Y HA 0.355 4.901 4.550 -0.006 0.000 0.328 389 Y C -1.383 174.599 175.900 0.138 0.000 0.992 389 Y CA -0.806 57.276 58.100 -0.031 0.000 1.151 389 Y CB 1.193 39.608 38.460 -0.076 0.000 1.150 389 Y HN 0.200 nan 8.280 nan 0.000 0.450 390 V N 8.027 127.784 119.914 -0.261 0.000 2.459 390 V HA 0.520 4.636 4.120 -0.006 0.000 0.295 390 V C -0.066 175.807 176.094 -0.368 0.000 1.029 390 V CA -0.738 61.493 62.300 -0.114 0.000 0.874 390 V CB 1.415 33.349 31.823 0.184 0.000 0.985 390 V HN 0.688 nan 8.190 nan 0.000 0.438 391 I N 2.520 122.920 120.570 -0.284 0.000 2.648 391 I HA 0.662 4.828 4.170 -0.006 0.000 0.304 391 I C -0.288 175.808 176.117 -0.035 0.000 1.009 391 I CA -0.732 60.385 61.300 -0.305 0.000 1.114 391 I CB 1.819 39.535 38.000 -0.472 0.000 1.293 391 I HN 0.539 nan 8.210 nan 0.000 0.449 392 I N 4.898 125.478 120.570 0.017 0.000 2.532 392 I HA 0.425 4.591 4.170 -0.006 0.000 0.292 392 I C -1.053 174.963 176.117 -0.167 0.000 1.014 392 I CA -0.514 60.654 61.300 -0.221 0.000 1.340 392 I CB 0.939 38.584 38.000 -0.592 0.000 1.422 392 I HN 0.544 nan 8.210 nan 0.000 0.528 393 L N 6.822 127.908 121.223 -0.228 0.000 2.409 393 L HA 0.460 4.796 4.340 -0.006 0.000 0.272 393 L C -1.203 175.627 176.870 -0.068 0.000 0.980 393 L CA -0.831 53.915 54.840 -0.157 0.000 0.826 393 L CB 1.846 43.861 42.059 -0.073 0.000 1.268 393 L HN 0.555 nan 8.230 nan 0.000 0.407 394 D N 3.798 124.183 120.400 -0.025 0.000 2.217 394 D HA 0.290 4.926 4.640 -0.006 0.000 0.248 394 D C -1.845 174.589 176.300 0.223 0.000 1.008 394 D CA -1.378 52.667 54.000 0.074 0.000 0.914 394 D CB 2.236 43.085 40.800 0.082 0.000 1.182 394 D HN 0.224 nan 8.370 nan 0.000 0.451 395 P HA 0.012 nan 4.420 nan 0.000 0.218 395 P C 0.074 177.598 177.300 0.374 0.000 1.152 395 P CA 0.592 63.929 63.100 0.396 0.000 0.826 395 P CB 0.218 32.236 31.700 0.529 0.000 0.790 396 A N 0.947 123.889 122.820 0.203 0.000 2.524 396 A HA 0.236 4.553 4.320 -0.006 0.000 0.250 396 A C 0.161 177.757 177.584 0.020 0.000 1.078 396 A CA 0.471 52.479 52.037 -0.048 0.000 0.761 396 A CB -0.738 18.135 19.000 -0.212 0.000 1.012 396 A HN -0.004 nan 8.150 nan 0.000 0.500 397 I N 2.316 122.854 120.570 -0.052 0.000 2.378 397 I HA 0.211 4.378 4.170 -0.006 0.000 0.291 397 I C 0.836 176.883 176.117 -0.117 0.000 0.992 397 I CA -0.142 61.224 61.300 0.111 0.000 1.154 397 I CB 1.249 39.465 38.000 0.360 0.000 1.315 397 I HN 0.632 nan 8.210 nan 0.000 0.448 398 S N 5.256 120.966 115.700 0.017 0.000 2.537 398 S HA 0.156 4.622 4.470 -0.006 0.000 0.286 398 S C 1.461 175.838 174.600 -0.371 0.000 1.299 398 S CA -0.464 57.627 58.200 -0.182 0.000 1.067 398 S CB 0.189 63.258 63.200 -0.218 0.000 0.864 398 S HN 0.505 nan 8.310 nan 0.000 0.494 399 I N 3.529 123.749 120.570 -0.584 0.000 3.291 399 I HA 0.303 4.469 4.170 -0.006 0.000 0.279 399 I C 1.231 177.078 176.117 -0.450 0.000 1.294 399 I CA -0.063 60.693 61.300 -0.906 0.000 1.428 399 I CB -0.830 36.808 38.000 -0.603 0.000 1.070 399 I HN 0.541 nan 8.210 nan 0.000 0.478 400 G N 1.039 109.690 108.800 -0.249 0.000 2.570 400 G HA2 0.367 4.324 3.960 -0.006 0.000 0.276 400 G HA3 0.367 4.324 3.960 -0.006 0.000 0.276 400 G C -0.515 174.379 174.900 -0.011 0.000 1.346 400 G CA -0.653 44.376 45.100 -0.118 0.000 1.034 400 G HN 0.284 nan 8.290 nan 0.000 0.512 401 R N -1.272 119.224 120.500 -0.008 0.000 2.598 401 R HA 0.498 4.834 4.340 -0.006 0.000 0.279 401 R C 0.674 176.963 176.300 -0.020 0.000 0.984 401 R CA -0.706 55.423 56.100 0.048 0.000 0.999 401 R CB 1.128 31.456 30.300 0.046 0.000 1.114 401 R HN 0.521 nan 8.270 nan 0.000 0.493 402 R N 0.755 121.272 120.500 0.028 0.000 2.919 402 R HA 0.075 4.411 4.340 -0.006 0.000 0.284 402 R C 0.969 177.258 176.300 -0.018 0.000 1.104 402 R CA 1.115 57.206 56.100 -0.016 0.000 1.207 402 R CB 0.190 30.530 30.300 0.065 0.000 1.162 402 R HN 0.837 nan 8.270 nan 0.000 0.561 403 A N 0.855 123.660 122.820 -0.024 0.000 1.829 403 A HA -0.243 4.073 4.320 -0.006 0.000 0.216 403 A C 1.716 179.299 177.584 -0.001 0.000 1.207 403 A CA 2.217 54.242 52.037 -0.019 0.000 0.622 403 A CB -1.897 17.089 19.000 -0.022 0.000 0.846 403 A HN 0.883 nan 8.150 nan 0.000 0.447 404 N N -0.191 118.513 118.700 0.008 0.000 2.626 404 N HA 0.343 5.079 4.740 -0.006 0.000 0.226 404 N C 1.564 177.088 175.510 0.024 0.000 1.376 404 N CA 1.305 54.364 53.050 0.015 0.000 0.894 404 N CB -1.436 37.061 38.487 0.017 0.000 1.218 404 N HN 1.850 nan 8.380 nan 0.000 0.492 405 G N -1.024 107.790 108.800 0.024 0.000 2.196 405 G HA2 -0.287 3.669 3.960 -0.006 0.000 0.268 405 G HA3 -0.287 3.669 3.960 -0.006 0.000 0.268 405 G C 0.601 175.530 174.900 0.049 0.000 0.975 405 G CA 0.965 46.084 45.100 0.031 0.000 0.648 405 G HN 1.120 nan 8.290 nan 0.000 0.538 406 T N 0.296 114.885 114.554 0.058 0.000 2.898 406 T HA 0.462 4.808 4.350 -0.006 0.000 0.301 406 T C 0.712 175.480 174.700 0.113 0.000 1.049 406 T CA 0.389 62.535 62.100 0.077 0.000 1.095 406 T CB 1.593 70.509 68.868 0.079 0.000 0.976 406 T HN 0.444 nan 8.240 nan 0.000 0.539 407 T N 1.663 116.289 114.554 0.119 0.000 2.933 407 T HA -0.005 4.341 4.350 -0.006 0.000 0.306 407 T C -0.619 174.223 174.700 0.237 0.000 1.045 407 T CA -0.113 62.085 62.100 0.163 0.000 1.143 407 T CB -0.382 68.558 68.868 0.119 0.000 1.003 407 T HN 0.514 nan 8.240 nan 0.000 0.540 408 Y N 5.431 125.818 120.300 0.146 0.000 2.556 408 Y HA 0.504 5.050 4.550 -0.007 0.000 0.352 408 Y C 0.872 176.894 175.900 0.204 0.000 1.006 408 Y CA -1.374 56.827 58.100 0.168 0.000 1.277 408 Y CB -0.165 38.400 38.460 0.176 0.000 1.136 408 Y HN 0.736 nan 8.280 nan 0.000 0.523 409 A N 3.879 126.748 122.820 0.083 0.000 1.940 409 A HA -0.194 4.122 4.320 -0.006 0.000 0.219 409 A C 2.104 179.627 177.584 -0.101 0.000 1.176 409 A CA 2.420 54.454 52.037 -0.004 0.000 0.631 409 A CB -0.914 18.108 19.000 0.038 0.000 0.814 409 A HN 0.788 nan 8.150 nan 0.000 0.446 410 T N -1.551 112.812 114.554 -0.317 0.000 2.708 410 T HA -0.183 4.163 4.350 -0.006 0.000 0.266 410 T C 1.845 176.614 174.700 0.115 0.000 1.037 410 T CA 1.671 63.676 62.100 -0.158 0.000 1.146 410 T CB -0.441 68.283 68.868 -0.241 0.000 0.865 410 T HN 0.580 nan 8.240 nan 0.000 0.435 411 Y N 2.402 122.506 120.300 -0.327 0.000 2.200 411 Y HA -0.058 4.489 4.550 -0.006 0.000 0.290 411 Y C 2.707 178.694 175.900 0.145 0.000 1.137 411 Y CA 1.511 59.666 58.100 0.092 0.000 1.163 411 Y CB -1.004 37.522 38.460 0.109 0.000 0.988 411 Y HN 0.337 nan 8.280 nan 0.000 0.518 412 E N 1.091 121.242 120.200 -0.081 0.000 2.038 412 E HA -0.234 4.112 4.350 -0.006 0.000 0.195 412 E C 2.224 178.724 176.600 -0.166 0.000 1.000 412 E CA 1.973 58.267 56.400 -0.178 0.000 0.803 412 E CB -0.837 28.828 29.700 -0.059 0.000 0.750 412 E HN 0.658 nan 8.360 nan 0.000 0.448 413 R N -0.446 120.023 120.500 -0.051 0.000 2.096 413 R HA -0.036 4.300 4.340 -0.006 0.000 0.235 413 R C 2.828 178.997 176.300 -0.219 0.000 1.127 413 R CA 0.959 57.041 56.100 -0.029 0.000 0.968 413 R CB -0.518 29.865 30.300 0.138 0.000 0.861 413 R HN 0.470 nan 8.270 nan 0.000 0.440 414 G N 1.388 109.989 108.800 -0.332 0.000 2.446 414 G HA2 -0.286 3.670 3.960 -0.006 0.000 0.217 414 G HA3 -0.286 3.670 3.960 -0.006 0.000 0.217 414 G C 1.216 175.465 174.900 -1.085 0.000 1.168 414 G CA 0.686 45.063 45.100 -1.204 0.000 0.771 414 G HN 0.234 nan 8.290 nan 0.000 0.551 415 N N 0.536 118.911 118.700 -0.543 0.000 2.043 415 N HA -0.109 4.627 4.740 -0.006 0.000 0.193 415 N C 2.460 177.592 175.510 -0.630 0.000 1.037 415 N CA 1.829 54.613 53.050 -0.442 0.000 0.851 415 N CB -0.933 37.350 38.487 -0.339 0.000 1.027 415 N HN 0.254 nan 8.380 nan 0.000 0.422 416 T N 1.641 115.897 114.554 -0.497 0.000 2.665 416 T HA -0.163 4.183 4.350 -0.006 0.000 0.268 416 T C 1.626 175.981 174.700 -0.575 0.000 1.035 416 T CA 1.299 63.128 62.100 -0.452 0.000 1.151 416 T CB -0.214 68.502 68.868 -0.253 0.000 0.862 416 T HN 0.413 nan 8.240 nan 0.000 0.438 417 Q N -0.337 119.146 119.800 -0.528 0.000 2.403 417 Q HA 0.104 4.440 4.340 -0.006 0.000 0.203 417 Q C -0.554 175.203 176.000 -0.405 0.000 0.932 417 Q CA -0.090 55.477 55.803 -0.394 0.000 0.945 417 Q CB 0.037 28.601 28.738 -0.290 0.000 1.045 417 Q HN 0.718 nan 8.270 nan 0.000 0.511 418 H N -1.929 116.871 119.070 -0.451 0.000 2.750 418 H HA -0.133 4.419 4.556 -0.007 0.000 0.327 418 H C 0.465 175.471 175.328 -0.536 0.000 1.199 418 H CA 0.068 55.858 56.048 -0.430 0.000 1.149 418 H CB -1.681 27.943 29.762 -0.231 0.000 1.543 418 H HN 0.057 nan 8.280 nan 0.000 0.427 419 V N -0.789 118.581 119.914 -0.906 0.000 3.506 419 V HA -0.030 4.086 4.120 -0.006 0.000 0.263 419 V C 1.217 176.925 176.094 -0.644 0.000 1.203 419 V CA 0.719 62.463 62.300 -0.927 0.000 1.133 419 V CB -0.079 30.820 31.823 -1.540 0.000 0.802 419 V HN 0.473 nan 8.190 nan 0.000 0.459 420 W N -0.709 120.444 121.300 -0.245 0.000 2.141 420 W HA 0.476 5.133 4.660 -0.006 0.000 0.354 420 W C 0.072 176.535 176.519 -0.092 0.000 1.297 420 W CA -0.948 56.298 57.345 -0.165 0.000 1.380 420 W CB 0.484 29.884 29.460 -0.101 0.000 1.168 420 W HN -0.085 nan 8.180 nan 0.000 0.639 421 I N 3.015 123.741 120.570 0.260 0.000 2.371 421 I HA 0.055 4.221 4.170 -0.006 0.000 0.290 421 I C -0.038 176.160 176.117 0.136 0.000 1.028 421 I CA -0.487 60.904 61.300 0.151 0.000 1.345 421 I CB 0.126 38.219 38.000 0.154 0.000 1.407 421 I HN 0.352 nan 8.210 nan 0.000 0.501 422 N N 5.568 124.321 118.700 0.087 0.000 2.482 422 N HA 0.313 5.049 4.740 -0.006 0.000 0.279 422 N C -0.187 175.348 175.510 0.043 0.000 1.182 422 N CA -0.627 52.464 53.050 0.067 0.000 0.969 422 N CB 0.837 39.352 38.487 0.048 0.000 1.201 422 N HN 0.493 nan 8.380 nan 0.000 0.523 423 E N -0.495 119.723 120.200 0.030 0.000 2.421 423 E HA 0.029 4.375 4.350 -0.006 0.000 0.253 423 E C 0.901 177.506 176.600 0.008 0.000 1.277 423 E CA -0.126 56.281 56.400 0.011 0.000 0.968 423 E CB 0.407 30.109 29.700 0.003 0.000 1.040 423 E HN 0.641 nan 8.360 nan 0.000 0.512 424 S N 0.660 116.359 115.700 -0.002 0.000 2.419 424 S HA -0.207 4.259 4.470 -0.006 0.000 0.235 424 S C 1.264 175.865 174.600 0.001 0.000 1.019 424 S CA 1.564 59.762 58.200 -0.002 0.000 0.982 424 S CB -0.404 62.790 63.200 -0.010 0.000 0.789 424 S HN 0.648 nan 8.310 nan 0.000 0.490 425 D N 1.510 121.910 120.400 0.001 0.000 2.219 425 D HA 0.003 4.639 4.640 -0.006 0.000 0.205 425 D C 1.573 177.874 176.300 0.002 0.000 0.970 425 D CA 0.941 54.941 54.000 0.001 0.000 0.851 425 D CB -1.008 39.793 40.800 0.001 0.000 0.943 425 D HN 0.716 nan 8.370 nan 0.000 0.488 426 G N -0.034 108.770 108.800 0.006 0.000 2.137 426 G HA2 -0.276 3.680 3.960 -0.006 0.000 0.237 426 G HA3 -0.276 3.680 3.960 -0.006 0.000 0.237 426 G C 0.774 175.674 174.900 -0.000 0.000 1.002 426 G CA 0.618 45.721 45.100 0.005 0.000 0.702 426 G HN 0.504 nan 8.290 nan 0.000 0.515 427 S N -1.487 114.217 115.700 0.007 0.000 3.472 427 S HA 0.222 4.688 4.470 -0.006 0.000 0.247 427 S C 0.786 175.406 174.600 0.033 0.000 1.084 427 S CA 0.739 58.942 58.200 0.006 0.000 0.795 427 S CB 0.215 63.414 63.200 -0.001 0.000 0.892 427 S HN 0.592 nan 8.310 nan 0.000 0.513 428 T N 5.812 120.385 114.554 0.032 0.000 2.834 428 T HA 0.279 4.625 4.350 -0.006 0.000 0.298 428 T C -2.676 172.057 174.700 0.055 0.000 0.966 428 T CA -0.811 61.314 62.100 0.042 0.000 1.141 428 T CB 0.449 69.331 68.868 0.023 0.000 0.905 428 T HN 0.172 nan 8.240 nan 0.000 0.535 429 P HA 0.201 nan 4.420 nan 0.000 0.268 429 P C 0.025 177.335 177.300 0.017 0.000 1.204 429 P CA -0.467 62.680 63.100 0.079 0.000 0.768 429 P CB 0.659 32.412 31.700 0.089 0.000 0.842 430 I N 3.538 124.127 120.570 0.032 0.000 2.638 430 I HA 0.151 4.317 4.170 -0.006 0.000 0.286 430 I C 0.012 176.120 176.117 -0.015 0.000 1.088 430 I CA -0.412 60.903 61.300 0.025 0.000 1.397 430 I CB 0.304 38.341 38.000 0.062 0.000 1.414 430 I HN 0.145 nan 8.210 nan 0.000 0.566 431 I N 7.369 127.920 120.570 -0.032 0.000 2.382 431 I HA 0.405 4.571 4.170 -0.006 0.000 0.286 431 I C 0.521 176.618 176.117 -0.034 0.000 1.002 431 I CA -0.208 61.033 61.300 -0.100 0.000 1.135 431 I CB 0.374 38.305 38.000 -0.115 0.000 1.288 431 I HN 0.647 nan 8.210 nan 0.000 0.448 432 G N 4.956 113.732 108.800 -0.040 0.000 2.857 432 G HA2 0.589 4.545 3.960 -0.006 0.000 0.217 432 G HA3 0.589 4.545 3.960 -0.006 0.000 0.217 432 G C -0.930 173.898 174.900 -0.120 0.000 1.357 432 G CA -0.285 44.844 45.100 0.049 0.000 1.033 432 G HN 0.641 nan 8.290 nan 0.000 0.571 433 E N -1.394 118.729 120.200 -0.128 0.000 2.311 433 E HA 0.502 4.848 4.350 -0.006 0.000 0.281 433 E C -1.112 175.162 176.600 -0.544 0.000 0.905 433 E CA -0.678 55.570 56.400 -0.254 0.000 0.778 433 E CB 2.016 31.645 29.700 -0.117 0.000 1.240 433 E HN 0.259 nan 8.360 nan 0.000 0.410 434 V N 3.139 122.620 119.914 -0.721 0.000 6.094 434 V HA 0.315 4.431 4.120 -0.006 0.000 0.284 434 V C 0.733 176.191 176.094 -1.061 0.000 1.600 434 V CA -0.689 60.811 62.300 -1.333 0.000 0.675 434 V CB -0.187 31.141 31.823 -0.825 0.000 1.453 434 V HN 0.894 nan 8.190 nan 0.000 0.402 435 W N 1.079 122.102 121.300 -0.462 0.000 2.358 435 W HA -0.003 4.653 4.660 -0.006 0.000 0.303 435 W C -0.759 175.704 176.519 -0.094 0.000 1.208 435 W CA 1.432 58.693 57.345 -0.141 0.000 1.274 435 W CB -1.225 28.187 29.460 -0.080 0.000 1.138 435 W HN 0.444 nan 8.180 nan 0.000 0.515 436 P HA 0.317 nan 4.420 nan 0.000 0.243 436 P C 0.517 177.771 177.300 -0.077 0.000 1.672 436 P CA 0.926 64.012 63.100 -0.022 0.000 1.000 436 P CB 0.107 31.753 31.700 -0.091 0.000 1.562 437 G N 0.800 109.554 108.800 -0.076 0.000 2.584 437 G HA2 -0.244 3.712 3.960 -0.006 0.000 0.229 437 G HA3 -0.244 3.712 3.960 -0.006 0.000 0.229 437 G C -0.668 174.130 174.900 -0.170 0.000 1.320 437 G CA -0.601 44.444 45.100 -0.092 0.000 0.891 437 G HN 0.300 nan 8.290 nan 0.000 0.573 438 L N 1.408 122.536 121.223 -0.158 0.000 2.559 438 L HA 0.456 4.792 4.340 -0.006 0.000 0.282 438 L C 1.297 177.990 176.870 -0.296 0.000 1.232 438 L CA 1.042 55.758 54.840 -0.205 0.000 0.885 438 L CB 0.109 42.067 42.059 -0.168 0.000 1.131 438 L HN 1.149 nan 8.230 nan 0.000 0.498 439 T N -0.476 113.849 114.554 -0.381 0.000 2.868 439 T HA 0.722 5.068 4.350 -0.006 0.000 0.306 439 T C -0.465 173.826 174.700 -0.681 0.000 1.224 439 T CA -0.925 60.860 62.100 -0.524 0.000 1.012 439 T CB 1.605 70.139 68.868 -0.556 0.000 1.221 439 T HN 0.415 nan 8.240 nan 0.000 0.499 440 V N -0.771 118.665 119.914 -0.797 0.000 2.975 440 V HA 0.782 4.899 4.120 -0.006 0.000 0.318 440 V C -1.370 174.238 176.094 -0.810 0.000 1.077 440 V CA -1.352 60.431 62.300 -0.862 0.000 1.000 440 V CB 0.933 32.026 31.823 -1.216 0.000 1.066 440 V HN 0.950 nan 8.190 nan 0.000 0.452 441 Y N 1.154 121.338 120.300 -0.193 0.000 2.341 441 Y HA 0.594 5.140 4.550 -0.007 0.000 0.338 441 Y C -2.501 173.527 175.900 0.214 0.000 0.965 441 Y CA -2.492 55.624 58.100 0.027 0.000 1.108 441 Y CB 2.276 40.730 38.460 -0.010 0.000 1.180 441 Y HN 0.467 nan 8.280 nan 0.000 0.458 442 P HA 0.001 nan 4.420 nan 0.000 0.276 442 P C -0.630 176.496 177.300 -0.290 0.000 1.230 442 P CA -0.167 62.884 63.100 -0.081 0.000 0.776 442 P CB 0.729 32.114 31.700 -0.525 0.000 0.888 443 D N 2.614 122.830 120.400 -0.306 0.000 2.522 443 D HA 0.124 4.760 4.640 -0.006 0.000 0.218 443 D C 0.019 176.053 176.300 -0.443 0.000 1.149 443 D CA -0.318 53.517 54.000 -0.274 0.000 0.981 443 D CB -0.730 39.972 40.800 -0.164 0.000 1.041 443 D HN 0.137 nan 8.370 nan 0.000 0.518 444 F N 0.936 120.627 119.950 -0.432 0.000 2.773 444 F HA -0.013 4.510 4.527 -0.007 0.000 0.299 444 F C 2.454 177.908 175.800 -0.577 0.000 1.204 444 F CA 0.787 58.493 58.000 -0.489 0.000 1.454 444 F CB -0.336 38.278 39.000 -0.644 0.000 1.117 444 F HN 0.363 nan 8.300 nan 0.000 0.590 445 T N -3.986 110.216 114.554 -0.588 0.000 3.060 445 T HA 0.029 4.376 4.350 -0.006 0.000 0.249 445 T C 0.772 175.195 174.700 -0.462 0.000 1.079 445 T CA -0.208 61.310 62.100 -0.969 0.000 1.013 445 T CB -0.245 67.546 68.868 -1.795 0.000 0.975 445 T HN 0.027 nan 8.240 nan 0.000 0.518 446 N N 2.509 121.036 118.700 -0.288 0.000 2.422 446 N HA 0.244 4.981 4.740 -0.006 0.000 0.264 446 N C -2.142 173.322 175.510 -0.078 0.000 1.063 446 N CA -1.861 51.100 53.050 -0.148 0.000 0.959 446 N CB 2.005 40.395 38.487 -0.162 0.000 1.087 446 N HN 0.003 nan 8.380 nan 0.000 0.483 447 P HA -0.021 nan 4.420 nan 0.000 0.222 447 P C 0.501 177.811 177.300 0.016 0.000 1.147 447 P CA 1.195 64.303 63.100 0.013 0.000 0.790 447 P CB 0.378 32.096 31.700 0.030 0.000 0.780 448 N N -1.815 116.879 118.700 -0.011 0.000 2.270 448 N HA -0.125 4.611 4.740 -0.006 0.000 0.181 448 N C 1.717 177.238 175.510 0.019 0.000 1.016 448 N CA 0.568 53.613 53.050 -0.009 0.000 0.870 448 N CB -0.469 37.986 38.487 -0.053 0.000 0.979 448 N HN 0.152 nan 8.380 nan 0.000 0.431 449 C N 0.965 120.253 119.300 -0.021 0.000 2.466 449 C HA 0.037 4.493 4.460 -0.006 0.000 0.278 449 C C 2.565 177.700 174.990 0.241 0.000 1.288 449 C CA 0.176 59.209 59.018 0.025 0.000 1.722 449 C CB -1.133 26.494 27.740 -0.188 0.000 2.017 449 C HN 0.522 nan 8.230 nan 0.000 0.488 450 I N 0.149 120.821 120.570 0.170 0.000 2.264 450 I HA -0.126 4.040 4.170 -0.006 0.000 0.248 450 I C 1.894 178.156 176.117 0.242 0.000 1.111 450 I CA 2.267 63.711 61.300 0.240 0.000 1.382 450 I CB -0.886 37.195 38.000 0.134 0.000 1.060 450 I HN 0.183 nan 8.210 nan 0.000 0.418 451 D N 0.864 121.366 120.400 0.170 0.000 2.084 451 D HA -0.212 4.424 4.640 -0.006 0.000 0.196 451 D C 1.664 178.053 176.300 0.148 0.000 0.985 451 D CA 1.655 55.731 54.000 0.126 0.000 0.826 451 D CB -0.626 40.224 40.800 0.083 0.000 0.978 451 D HN 0.692 nan 8.370 nan 0.000 0.456 452 W N 1.271 122.573 121.300 0.004 0.000 2.321 452 W HA -0.219 4.437 4.660 -0.007 0.000 0.306 452 W C 2.325 178.882 176.519 0.063 0.000 1.217 452 W CA 1.664 58.995 57.345 -0.023 0.000 1.257 452 W CB -0.623 28.776 29.460 -0.102 0.000 1.145 452 W HN 0.122 nan 8.180 nan 0.000 0.509 453 W N 0.982 122.175 121.300 -0.177 0.000 2.353 453 W HA -0.234 4.423 4.660 -0.006 0.000 0.319 453 W C 2.314 178.690 176.519 -0.239 0.000 1.207 453 W CA 2.559 59.716 57.345 -0.313 0.000 1.291 453 W CB -0.965 28.608 29.460 0.188 0.000 1.159 453 W HN 0.019 nan 8.180 nan 0.000 0.478 454 A N 0.848 123.673 122.820 0.007 0.000 1.917 454 A HA -0.363 3.953 4.320 -0.006 0.000 0.219 454 A C 1.679 179.147 177.584 -0.194 0.000 1.182 454 A CA 2.475 54.466 52.037 -0.077 0.000 0.633 454 A CB -1.479 17.537 19.000 0.027 0.000 0.819 454 A HN 0.538 nan 8.150 nan 0.000 0.448 455 N N -0.444 118.129 118.700 -0.211 0.000 2.084 455 N HA -0.162 4.574 4.740 -0.006 0.000 0.190 455 N C 1.659 176.936 175.510 -0.388 0.000 1.030 455 N CA 1.726 54.631 53.050 -0.241 0.000 0.849 455 N CB -0.195 38.178 38.487 -0.190 0.000 1.012 455 N HN 0.421 nan 8.380 nan 0.000 0.423 456 E N -0.170 119.615 120.200 -0.692 0.000 2.110 456 E HA -0.127 4.219 4.350 -0.006 0.000 0.193 456 E C 2.115 178.220 176.600 -0.826 0.000 0.988 456 E CA 0.797 56.571 56.400 -1.044 0.000 0.804 456 E CB -0.663 27.915 29.700 -1.870 0.000 0.745 456 E HN 0.488 nan 8.360 nan 0.000 0.458 457 C N 0.219 119.193 119.300 -0.542 0.000 2.446 457 C HA 0.026 4.482 4.460 -0.006 0.000 0.279 457 C C 3.022 178.085 174.990 0.122 0.000 1.366 457 C CA 0.791 59.793 59.018 -0.026 0.000 1.763 457 C CB -0.717 26.996 27.740 -0.045 0.000 1.929 457 C HN 0.406 nan 8.230 nan 0.000 0.509 458 S N 0.610 116.265 115.700 -0.075 0.000 2.377 458 S HA 0.005 4.471 4.470 -0.006 0.000 0.223 458 S C 1.681 176.266 174.600 -0.026 0.000 1.030 458 S CA 1.075 59.229 58.200 -0.078 0.000 0.970 458 S CB -0.222 62.907 63.200 -0.118 0.000 0.830 458 S HN 0.570 nan 8.310 nan 0.000 0.473 459 I N 0.430 120.972 120.570 -0.048 0.000 2.226 459 I HA -0.122 4.044 4.170 -0.006 0.000 0.245 459 I C 2.136 178.323 176.117 0.115 0.000 1.100 459 I CA 1.329 62.627 61.300 -0.005 0.000 1.374 459 I CB -0.410 37.554 38.000 -0.059 0.000 1.057 459 I HN 0.319 nan 8.210 nan 0.000 0.413 460 F N 0.923 120.897 119.950 0.039 0.000 2.186 460 F HA -0.229 4.295 4.527 -0.006 0.000 0.299 460 F C 2.662 178.595 175.800 0.222 0.000 1.090 460 F CA 1.642 59.768 58.000 0.209 0.000 1.307 460 F CB -0.643 38.604 39.000 0.412 0.000 1.019 460 F HN 0.141 nan 8.300 nan 0.000 0.489 461 H N 0.146 119.230 119.070 0.024 0.000 2.456 461 H HA -0.134 4.418 4.556 -0.007 0.000 0.296 461 H C 1.804 176.954 175.328 -0.297 0.000 1.079 461 H CA 1.759 57.599 56.048 -0.347 0.000 1.322 461 H CB 0.070 29.450 29.762 -0.637 0.000 1.388 461 H HN 0.436 nan 8.280 nan 0.000 0.538 462 Q N -0.050 119.628 119.800 -0.203 0.000 2.230 462 Q HA -0.108 4.228 4.340 -0.006 0.000 0.202 462 Q C 2.040 177.914 176.000 -0.210 0.000 0.963 462 Q CA 1.031 56.718 55.803 -0.194 0.000 0.866 462 Q CB 0.232 28.919 28.738 -0.084 0.000 0.931 462 Q HN 0.590 nan 8.270 nan 0.000 0.452 463 E N -0.170 119.898 120.200 -0.221 0.000 2.127 463 E HA 0.011 4.357 4.350 -0.006 0.000 0.191 463 E C -0.424 175.975 176.600 -0.335 0.000 0.964 463 E CA 0.386 56.672 56.400 -0.191 0.000 0.832 463 E CB 0.854 30.519 29.700 -0.058 0.000 0.790 463 E HN -0.038 nan 8.360 nan 0.000 0.465 464 V N 2.067 121.653 119.914 -0.547 0.000 2.443 464 V HA 0.183 4.299 4.120 -0.006 0.000 0.293 464 V C -0.714 175.123 176.094 -0.428 0.000 1.021 464 V CA -0.539 61.469 62.300 -0.486 0.000 0.848 464 V CB 1.524 33.010 31.823 -0.561 0.000 0.998 464 V HN 0.110 nan 8.190 nan 0.000 0.424 465 Q N 4.081 123.661 119.800 -0.366 0.000 3.184 465 Q HA 0.206 4.542 4.340 -0.006 0.000 0.288 465 Q C -0.293 175.771 176.000 0.108 0.000 1.412 465 Q CA -0.320 55.194 55.803 -0.481 0.000 0.991 465 Q CB -0.158 28.355 28.738 -0.374 0.000 1.688 465 Q HN 0.813 nan 8.270 nan 0.000 0.554 466 Y N -1.848 118.662 120.300 0.349 0.000 2.511 466 Y HA -0.001 4.545 4.550 -0.006 0.000 0.347 466 Y C 0.530 176.786 175.900 0.594 0.000 1.257 466 Y CA -0.156 58.235 58.100 0.484 0.000 1.469 466 Y CB 0.643 39.309 38.460 0.344 0.000 1.353 466 Y HN 0.161 nan 8.280 nan 0.000 0.617 467 D N 0.786 121.525 120.400 0.565 0.000 2.423 467 D HA 0.241 4.878 4.640 -0.006 0.000 0.212 467 D C 0.488 176.945 176.300 0.261 0.000 1.060 467 D CA 0.892 55.061 54.000 0.280 0.000 0.872 467 D CB 0.902 41.652 40.800 -0.085 0.000 1.012 467 D HN 0.832 nan 8.370 nan 0.000 0.503 468 G N 0.254 109.359 108.800 0.509 0.000 2.623 468 G HA2 0.574 4.530 3.960 -0.006 0.000 0.290 468 G HA3 0.574 4.530 3.960 -0.006 0.000 0.290 468 G C -1.753 173.375 174.900 0.381 0.000 1.437 468 G CA -0.626 44.778 45.100 0.505 0.000 0.798 468 G HN -0.026 nan 8.290 nan 0.000 0.488 469 L N -0.361 121.016 121.223 0.256 0.000 2.354 469 L HA 0.704 5.040 4.340 -0.006 0.000 0.269 469 L C -1.261 175.682 176.870 0.121 0.000 1.005 469 L CA -0.869 54.041 54.840 0.117 0.000 0.819 469 L CB 2.789 44.885 42.059 0.061 0.000 1.311 469 L HN 0.619 nan 8.230 nan 0.000 0.423 470 W N 5.364 126.603 121.300 -0.101 0.000 2.453 470 W HA 0.540 5.196 4.660 -0.007 0.000 0.310 470 W C -0.942 175.520 176.519 -0.096 0.000 1.000 470 W CA -1.818 55.432 57.345 -0.159 0.000 1.367 470 W CB 0.684 30.038 29.460 -0.177 0.000 1.269 470 W HN 0.338 nan 8.180 nan 0.000 0.418 471 I N 3.453 124.102 120.570 0.132 0.000 2.337 471 I HA 0.400 4.566 4.170 -0.006 0.000 0.291 471 I C -0.049 176.085 176.117 0.030 0.000 1.046 471 I CA 0.072 61.385 61.300 0.022 0.000 1.324 471 I CB 0.887 38.907 38.000 0.034 0.000 1.409 471 I HN 0.206 nan 8.210 nan 0.000 0.494 472 D N 5.603 125.927 120.400 -0.126 0.000 2.525 472 D HA 0.470 5.107 4.640 -0.006 0.000 0.249 472 D C 0.622 176.949 176.300 0.045 0.000 1.072 472 D CA -0.326 53.649 54.000 -0.042 0.000 1.067 472 D CB 1.220 41.820 40.800 -0.334 0.000 1.282 472 D HN 0.643 nan 8.370 nan 0.000 0.587 473 M N 0.169 119.827 119.600 0.097 0.000 2.763 473 M HA -0.252 4.224 4.480 -0.006 0.000 0.178 473 M C 0.567 176.912 176.300 0.077 0.000 0.620 473 M CA 0.326 55.687 55.300 0.101 0.000 0.594 473 M CB -2.588 30.070 32.600 0.097 0.000 2.167 473 M HN 0.426 nan 8.290 nan 0.000 0.512 474 N N 1.428 120.188 118.700 0.099 0.000 2.137 474 N HA -0.126 4.610 4.740 -0.006 0.000 0.190 474 N C 1.866 177.423 175.510 0.080 0.000 1.017 474 N CA 2.123 55.249 53.050 0.128 0.000 0.859 474 N CB -0.118 38.441 38.487 0.120 0.000 1.002 474 N HN 0.799 nan 8.380 nan 0.000 0.428 475 E N 0.845 121.059 120.200 0.022 0.000 2.339 475 E HA -0.052 4.294 4.350 -0.006 0.000 0.201 475 E C 0.820 177.244 176.600 -0.294 0.000 1.015 475 E CA 1.028 57.376 56.400 -0.086 0.000 0.841 475 E CB -1.333 28.366 29.700 -0.001 0.000 0.754 475 E HN 0.425 nan 8.360 nan 0.000 0.508 476 V N -4.310 115.394 119.914 -0.351 0.000 4.923 476 V HA 0.012 4.128 4.120 -0.006 0.000 0.378 476 V C 0.227 176.148 176.094 -0.288 0.000 0.678 476 V CA 0.323 62.290 62.300 -0.556 0.000 1.503 476 V CB -3.272 27.960 31.823 -0.985 0.000 1.812 476 V HN 1.364 nan 8.190 nan 0.000 0.469 477 S N 1.722 117.334 115.700 -0.147 0.000 2.525 477 S HA 0.919 5.385 4.470 -0.006 0.000 0.278 477 S C 0.424 174.995 174.600 -0.048 0.000 1.234 477 S CA 0.236 58.412 58.200 -0.041 0.000 1.058 477 S CB 1.342 64.566 63.200 0.041 0.000 0.983 477 S HN 2.493 nan 8.310 nan 0.000 0.495 478 S N 1.140 116.844 115.700 0.007 0.000 2.521 478 S HA 0.730 5.196 4.470 -0.006 0.000 0.295 478 S C 0.290 174.991 174.600 0.169 0.000 1.098 478 S CA -0.672 57.553 58.200 0.041 0.000 0.999 478 S CB 0.297 63.536 63.200 0.066 0.000 1.034 478 S HN 0.428 nan 8.310 nan 0.000 0.483 479 F N 1.793 121.686 119.950 -0.095 0.000 2.293 479 F HA 0.098 4.621 4.527 -0.006 0.000 0.300 479 F C 1.136 176.911 175.800 -0.041 0.000 1.086 479 F CA 0.228 58.167 58.000 -0.102 0.000 1.375 479 F CB -0.621 38.287 39.000 -0.154 0.000 1.045 479 F HN 0.683 nan 8.300 nan 0.000 0.516 480 I N -1.403 119.267 120.570 0.167 0.000 2.498 480 I HA 0.352 4.518 4.170 -0.006 0.000 0.301 480 I C -0.076 176.110 176.117 0.115 0.000 0.984 480 I CA -1.039 60.329 61.300 0.113 0.000 1.204 480 I CB 1.052 39.100 38.000 0.080 0.000 1.362 480 I HN -0.278 nan 8.210 nan 0.000 0.471 481 Q N 4.585 124.464 119.800 0.133 0.000 2.307 481 Q HA 0.315 4.651 4.340 -0.006 0.000 0.261 481 Q C 0.793 176.943 176.000 0.251 0.000 1.051 481 Q CA 0.880 56.813 55.803 0.216 0.000 0.911 481 Q CB 0.815 29.691 28.738 0.230 0.000 1.227 481 Q HN 1.139 nan 8.270 nan 0.000 0.418 482 G N 2.961 111.895 108.800 0.223 0.000 4.933 482 G HA2 -0.304 3.652 3.960 -0.006 0.000 0.285 482 G HA3 -0.304 3.652 3.960 -0.006 0.000 0.285 482 G C 0.090 174.975 174.900 -0.025 0.000 1.596 482 G CA 0.258 45.365 45.100 0.011 0.000 1.081 482 G HN 1.084 nan 8.290 nan 0.000 0.710 483 S N -2.407 113.273 115.700 -0.033 0.000 2.656 483 S HA 0.642 5.108 4.470 -0.006 0.000 0.273 483 S C 0.682 175.278 174.600 -0.008 0.000 1.168 483 S CA 1.068 59.259 58.200 -0.014 0.000 0.817 483 S CB 1.060 64.237 63.200 -0.037 0.000 1.146 483 S HN 1.213 nan 8.310 nan 0.000 0.475 484 T N 0.619 115.166 114.554 -0.012 0.000 2.849 484 T HA -0.019 4.327 4.350 -0.006 0.000 0.270 484 T C 1.098 175.790 174.700 -0.013 0.000 1.066 484 T CA 1.880 63.971 62.100 -0.016 0.000 1.130 484 T CB -0.498 68.350 68.868 -0.033 0.000 0.864 484 T HN 0.808 nan 8.240 nan 0.000 0.481 485 K N -0.142 120.246 120.400 -0.020 0.000 2.726 485 K HA 0.638 4.954 4.320 -0.006 0.000 0.209 485 K C 0.897 177.480 176.600 -0.029 0.000 1.082 485 K CA -0.040 56.236 56.287 -0.019 0.000 1.081 485 K CB -0.347 32.142 32.500 -0.018 0.000 0.830 485 K HN 0.582 nan 8.250 nan 0.000 0.470 486 G N 0.179 108.958 108.800 -0.037 0.000 2.598 486 G HA2 -0.255 3.701 3.960 -0.006 0.000 0.244 486 G HA3 -0.255 3.701 3.960 -0.006 0.000 0.244 486 G C -0.119 174.684 174.900 -0.162 0.000 1.302 486 G CA -0.236 44.822 45.100 -0.069 0.000 0.903 486 G HN 0.819 nan 8.290 nan 0.000 0.575 487 C N -0.334 118.832 119.300 -0.224 0.000 2.563 487 C HA 0.657 5.113 4.460 -0.006 0.000 0.314 487 C C 0.652 175.575 174.990 -0.113 0.000 1.199 487 C CA -0.353 58.483 59.018 -0.303 0.000 1.564 487 C CB 0.955 28.235 27.740 -0.767 0.000 2.173 487 C HN 0.920 nan 8.230 nan 0.000 0.485 488 N N 0.435 119.088 118.700 -0.078 0.000 2.492 488 N HA 0.252 4.988 4.740 -0.006 0.000 0.260 488 N C -0.307 175.252 175.510 0.080 0.000 1.215 488 N CA -0.392 52.655 53.050 -0.004 0.000 0.923 488 N CB 1.081 39.560 38.487 -0.012 0.000 1.092 488 N HN 0.524 nan 8.380 nan 0.000 0.448 489 V N 2.537 122.518 119.914 0.111 0.000 2.338 489 V HA 0.308 4.424 4.120 -0.006 0.000 0.255 489 V C 0.024 176.207 176.094 0.149 0.000 1.082 489 V CA -0.365 62.047 62.300 0.188 0.000 0.951 489 V CB -1.141 30.702 31.823 0.034 0.000 1.102 489 V HN 1.001 nan 8.190 nan 0.000 0.489 490 N N 2.906 121.738 118.700 0.220 0.000 2.853 490 N HA 0.538 5.274 4.740 -0.006 0.000 0.258 490 N C 0.742 176.324 175.510 0.121 0.000 1.444 490 N CA -0.371 52.749 53.050 0.117 0.000 0.837 490 N CB 1.164 39.677 38.487 0.043 0.000 1.489 490 N HN 0.066 nan 8.380 nan 0.000 0.529 491 K N -0.023 120.404 120.400 0.044 0.000 2.218 491 K HA 0.016 4.332 4.320 -0.006 0.000 0.205 491 K C 1.563 178.114 176.600 -0.082 0.000 1.046 491 K CA 1.872 58.165 56.287 0.009 0.000 0.933 491 K CB -1.341 31.145 32.500 -0.024 0.000 0.728 491 K HN 0.560 nan 8.250 nan 0.000 0.454 492 L N -0.532 120.605 121.223 -0.144 0.000 2.209 492 L HA -0.007 4.329 4.340 -0.006 0.000 0.207 492 L C 2.168 179.026 176.870 -0.020 0.000 1.094 492 L CA 1.307 55.987 54.840 -0.266 0.000 0.790 492 L CB -0.078 41.827 42.059 -0.256 0.000 0.932 492 L HN 0.459 nan 8.230 nan 0.000 0.447 493 N N -1.456 117.223 118.700 -0.034 0.000 2.368 493 N HA -0.043 4.694 4.740 -0.006 0.000 0.176 493 N C -0.364 174.889 175.510 -0.428 0.000 1.021 493 N CA 0.457 53.407 53.050 -0.167 0.000 0.888 493 N CB 0.356 38.698 38.487 -0.241 0.000 0.995 493 N HN 0.169 nan 8.380 nan 0.000 0.437 494 Y N 0.882 121.241 120.300 0.098 0.000 2.748 494 Y HA 0.365 4.911 4.550 -0.007 0.000 0.359 494 Y C -2.332 173.594 175.900 0.044 0.000 1.030 494 Y CA -2.322 55.819 58.100 0.068 0.000 1.169 494 Y CB 0.625 39.124 38.460 0.065 0.000 1.127 494 Y HN -0.024 nan 8.280 nan 0.000 0.644 495 P HA 0.145 nan 4.420 nan 0.000 0.272 495 P C -2.169 175.189 177.300 0.096 0.000 1.230 495 P CA -1.416 61.748 63.100 0.107 0.000 0.788 495 P CB 1.348 33.137 31.700 0.148 0.000 0.949 496 P HA 0.002 nan 4.420 nan 0.000 0.218 496 P C 0.006 177.362 177.300 0.093 0.000 1.149 496 P CA 1.222 64.423 63.100 0.169 0.000 0.817 496 P CB 0.009 31.856 31.700 0.245 0.000 0.785 497 F N 0.030 119.809 119.950 -0.285 0.000 2.507 497 F HA 0.472 4.995 4.527 -0.007 0.000 0.328 497 F C -0.997 174.679 175.800 -0.207 0.000 1.136 497 F CA -0.684 57.016 58.000 -0.500 0.000 0.930 497 F CB 1.256 39.568 39.000 -1.147 0.000 1.166 497 F HN -0.409 nan 8.300 nan 0.000 0.436 498 T N 8.007 122.035 114.554 -0.877 0.000 2.771 498 T HA 0.444 4.790 4.350 -0.006 0.000 0.281 498 T C -2.538 171.461 174.700 -1.168 0.000 0.982 498 T CA -1.246 60.376 62.100 -0.796 0.000 0.978 498 T CB 1.345 69.979 68.868 -0.390 0.000 0.930 498 T HN 0.396 nan 8.240 nan 0.000 0.447 499 P HA 0.205 nan 4.420 nan 0.000 0.277 499 P C 0.034 177.175 177.300 -0.265 0.000 1.276 499 P CA -0.377 62.409 63.100 -0.523 0.000 0.788 499 P CB 0.686 32.273 31.700 -0.188 0.000 1.114 500 D N -0.364 119.975 120.400 -0.101 0.000 2.644 500 D HA 0.046 4.682 4.640 -0.006 0.000 0.252 500 D C 0.340 176.607 176.300 -0.056 0.000 1.254 500 D CA -0.100 53.861 54.000 -0.065 0.000 0.884 500 D CB -1.544 39.245 40.800 -0.019 0.000 1.034 500 D HN 0.259 nan 8.370 nan 0.000 0.473 501 I N -2.219 118.301 120.570 -0.083 0.000 2.696 501 I HA 0.126 4.292 4.170 -0.006 0.000 0.284 501 I C 0.431 176.526 176.117 -0.036 0.000 1.129 501 I CA -1.106 60.174 61.300 -0.034 0.000 1.410 501 I CB 0.565 38.545 38.000 -0.033 0.000 1.399 501 I HN -0.184 nan 8.210 nan 0.000 0.579 502 L N 6.462 127.680 121.223 -0.007 0.000 2.593 502 L HA -0.034 4.302 4.340 -0.006 0.000 0.287 502 L C 0.537 177.386 176.870 -0.035 0.000 1.243 502 L CA 1.272 56.103 54.840 -0.016 0.000 0.890 502 L CB -0.530 41.528 42.059 -0.003 0.000 1.134 502 L HN 0.893 nan 8.230 nan 0.000 0.502 503 D N 1.201 121.576 120.400 -0.042 0.000 2.978 503 D HA -0.309 4.328 4.640 -0.006 0.000 0.205 503 D C 0.772 177.023 176.300 -0.082 0.000 1.093 503 D CA 1.412 55.377 54.000 -0.058 0.000 1.006 503 D CB -1.520 39.239 40.800 -0.069 0.000 1.116 503 D HN 1.066 nan 8.370 nan 0.000 0.419 504 K N -0.498 119.848 120.400 -0.089 0.000 3.078 504 K HA -0.168 4.148 4.320 -0.006 0.000 0.261 504 K C 0.113 176.627 176.600 -0.143 0.000 0.947 504 K CA 1.725 57.942 56.287 -0.117 0.000 0.702 504 K CB -1.964 30.480 32.500 -0.094 0.000 1.318 504 K HN 0.618 nan 8.250 nan 0.000 0.473 505 L N 0.799 121.913 121.223 -0.183 0.000 2.568 505 L HA 0.343 4.679 4.340 -0.006 0.000 0.262 505 L C 1.231 177.906 176.870 -0.325 0.000 0.980 505 L CA -0.772 53.895 54.840 -0.289 0.000 0.882 505 L CB 1.145 42.998 42.059 -0.343 0.000 1.198 505 L HN 0.363 nan 8.230 nan 0.000 0.425 506 M N 3.815 123.238 119.600 -0.294 0.000 2.113 506 M HA -0.257 4.219 4.480 -0.006 0.000 0.255 506 M C 1.588 177.850 176.300 -0.062 0.000 1.073 506 M CA 2.322 57.516 55.300 -0.176 0.000 1.091 506 M CB -1.171 31.336 32.600 -0.154 0.000 1.309 506 M HN 0.787 nan 8.290 nan 0.000 0.407 507 Y N -0.687 119.540 120.300 -0.122 0.000 2.578 507 Y HA 0.353 4.899 4.550 -0.006 0.000 0.297 507 Y C 1.150 177.015 175.900 -0.058 0.000 1.176 507 Y CA -0.268 57.770 58.100 -0.104 0.000 1.315 507 Y CB -0.895 37.492 38.460 -0.121 0.000 1.031 507 Y HN 0.037 nan 8.280 nan 0.000 0.524 508 S N 1.984 117.557 115.700 -0.211 0.000 2.544 508 S HA 0.308 4.774 4.470 -0.006 0.000 0.290 508 S C 1.099 175.695 174.600 -0.007 0.000 1.276 508 S CA 0.700 58.828 58.200 -0.121 0.000 1.075 508 S CB -0.289 62.826 63.200 -0.142 0.000 0.849 508 S HN 0.921 nan 8.310 nan 0.000 0.494 509 K N 0.896 121.315 120.400 0.032 0.000 3.069 509 K HA -0.168 4.148 4.320 -0.006 0.000 0.267 509 K C 0.466 177.093 176.600 0.046 0.000 1.082 509 K CA 1.981 58.301 56.287 0.055 0.000 0.782 509 K CB -2.768 29.763 32.500 0.051 0.000 1.230 509 K HN 1.125 nan 8.250 nan 0.000 0.488 510 T N -2.390 112.186 114.554 0.036 0.000 2.630 510 T HA 0.778 5.124 4.350 -0.006 0.000 0.300 510 T C -0.517 174.165 174.700 -0.030 0.000 1.261 510 T CA 0.113 62.203 62.100 -0.017 0.000 1.060 510 T CB 0.747 69.633 68.868 0.031 0.000 1.670 510 T HN 1.361 nan 8.240 nan 0.000 0.473 511 I N -0.354 120.155 120.570 -0.101 0.000 2.947 511 I HA 0.716 4.883 4.170 -0.006 0.000 0.314 511 I C 0.197 176.286 176.117 -0.046 0.000 1.028 511 I CA -1.058 60.186 61.300 -0.095 0.000 1.077 511 I CB 1.038 38.914 38.000 -0.206 0.000 1.274 511 I HN 0.586 nan 8.210 nan 0.000 0.485 512 C N 3.763 123.019 119.300 -0.072 0.000 2.563 512 C HA 0.032 4.488 4.460 -0.006 0.000 0.411 512 C C 1.965 176.931 174.990 -0.041 0.000 1.386 512 C CA -0.274 58.679 59.018 -0.108 0.000 1.703 512 C CB -0.035 27.620 27.740 -0.142 0.000 2.596 512 C HN 0.779 nan 8.230 nan 0.000 0.605 513 M N 2.498 122.090 119.600 -0.013 0.000 2.562 513 M HA -0.026 4.450 4.480 -0.006 0.000 0.257 513 M C 1.456 177.793 176.300 0.061 0.000 1.099 513 M CA 1.237 56.577 55.300 0.066 0.000 1.099 513 M CB -0.899 31.794 32.600 0.154 0.000 1.427 513 M HN 0.811 nan 8.290 nan 0.000 0.489 514 D N -0.419 119.983 120.400 0.003 0.000 2.340 514 D HA 0.195 4.831 4.640 -0.006 0.000 0.217 514 D C 0.478 176.780 176.300 0.003 0.000 1.081 514 D CA -0.070 53.928 54.000 -0.003 0.000 0.842 514 D CB -0.421 40.364 40.800 -0.025 0.000 0.934 514 D HN 0.061 nan 8.370 nan 0.000 0.511 515 A N 0.401 123.224 122.820 0.005 0.000 2.498 515 A HA 0.475 4.791 4.320 -0.006 0.000 0.239 515 A C 0.510 178.110 177.584 0.026 0.000 1.068 515 A CA 0.007 52.050 52.037 0.011 0.000 0.766 515 A CB 0.097 19.100 19.000 0.006 0.000 1.003 515 A HN 0.489 nan 8.150 nan 0.000 0.497 516 V N 2.210 122.141 119.914 0.027 0.000 2.394 516 V HA 0.622 4.738 4.120 -0.006 0.000 0.282 516 V C 0.058 176.171 176.094 0.032 0.000 1.031 516 V CA -0.531 61.787 62.300 0.031 0.000 0.881 516 V CB 0.798 32.636 31.823 0.025 0.000 0.982 516 V HN 0.979 nan 8.190 nan 0.000 0.451 517 Q N 2.232 122.053 119.800 0.035 0.000 2.445 517 Q HA 0.301 4.637 4.340 -0.006 0.000 0.281 517 Q C 0.926 176.941 176.000 0.025 0.000 1.101 517 Q CA -0.636 55.174 55.803 0.011 0.000 0.833 517 Q CB 2.232 30.967 28.738 -0.004 0.000 1.416 517 Q HN 0.928 nan 8.270 nan 0.000 0.451 518 N N 0.156 118.842 118.700 -0.024 0.000 2.104 518 N HA -0.161 4.576 4.740 -0.006 0.000 0.190 518 N C 0.702 176.340 175.510 0.212 0.000 1.024 518 N CA 1.396 54.470 53.050 0.039 0.000 0.853 518 N CB 0.156 38.627 38.487 -0.026 0.000 1.008 518 N HN 0.576 nan 8.380 nan 0.000 0.424 519 W N 0.722 122.045 121.300 0.038 0.000 2.678 519 W HA 0.293 4.949 4.660 -0.007 0.000 0.256 519 W C 1.365 177.939 176.519 0.093 0.000 1.280 519 W CA 0.914 58.302 57.345 0.072 0.000 1.345 519 W CB -0.779 28.731 29.460 0.082 0.000 1.118 519 W HN 0.197 nan 8.180 nan 0.000 0.629 520 G N -1.549 107.399 108.800 0.247 0.000 2.352 520 G HA2 0.335 4.292 3.960 -0.006 0.000 0.283 520 G HA3 0.335 4.292 3.960 -0.006 0.000 0.283 520 G C -0.870 174.068 174.900 0.063 0.000 1.308 520 G CA -0.528 44.652 45.100 0.133 0.000 0.892 520 G HN 0.012 nan 8.290 nan 0.000 0.504 521 K N -0.280 120.134 120.400 0.022 0.000 2.295 521 K HA 0.586 4.902 4.320 -0.006 0.000 0.270 521 K C 1.308 177.928 176.600 0.034 0.000 1.011 521 K CA 0.819 57.124 56.287 0.031 0.000 0.953 521 K CB 0.671 33.193 32.500 0.037 0.000 0.956 521 K HN 0.996 nan 8.250 nan 0.000 0.477 522 Q N 0.673 120.511 119.800 0.064 0.000 2.133 522 Q HA -0.246 4.090 4.340 -0.006 0.000 0.208 522 Q C 1.781 177.857 176.000 0.126 0.000 0.991 522 Q CA 2.724 58.581 55.803 0.090 0.000 0.867 522 Q CB -0.759 28.023 28.738 0.073 0.000 0.911 522 Q HN 0.886 nan 8.270 nan 0.000 0.417 523 Y N 0.281 120.580 120.300 -0.002 0.000 2.283 523 Y HA -0.302 4.244 4.550 -0.007 0.000 0.285 523 Y C 1.237 177.121 175.900 -0.026 0.000 1.176 523 Y CA 2.169 60.268 58.100 -0.001 0.000 1.229 523 Y CB 0.075 38.516 38.460 -0.032 0.000 0.975 523 Y HN 0.263 nan 8.280 nan 0.000 0.537 524 D N -1.463 118.897 120.400 -0.067 0.000 2.490 524 D HA -0.013 4.623 4.640 -0.006 0.000 0.244 524 D C 1.677 177.731 176.300 -0.410 0.000 0.979 524 D CA 1.486 55.223 54.000 -0.439 0.000 0.924 524 D CB -0.278 39.946 40.800 -0.960 0.000 1.075 524 D HN 0.269 nan 8.370 nan 0.000 0.488 525 V N -0.473 119.318 119.914 -0.206 0.000 3.421 525 V HA 0.148 4.264 4.120 -0.006 0.000 0.316 525 V C 1.694 177.813 176.094 0.042 0.000 1.347 525 V CA 0.093 62.379 62.300 -0.023 0.000 1.183 525 V CB -0.537 31.365 31.823 0.131 0.000 1.092 525 V HN 0.191 nan 8.190 nan 0.000 0.433 526 H N 1.380 120.422 119.070 -0.047 0.000 2.321 526 H HA -0.096 4.456 4.556 -0.006 0.000 0.300 526 H C 1.922 177.175 175.328 -0.126 0.000 1.087 526 H CA 2.031 58.030 56.048 -0.081 0.000 1.319 526 H CB 0.141 29.842 29.762 -0.102 0.000 1.379 526 H HN 0.547 nan 8.280 nan 0.000 0.501 527 S N 0.366 115.932 115.700 -0.223 0.000 2.603 527 S HA 0.061 4.527 4.470 -0.006 0.000 0.229 527 S C 1.835 176.306 174.600 -0.216 0.000 0.972 527 S CA 0.100 58.144 58.200 -0.260 0.000 0.935 527 S CB 0.036 63.139 63.200 -0.162 0.000 0.769 527 S HN 0.360 nan 8.310 nan 0.000 0.536 528 L N -0.790 120.328 121.223 -0.174 0.000 2.640 528 L HA 0.221 4.557 4.340 -0.006 0.000 0.230 528 L C 1.649 178.573 176.870 0.090 0.000 1.123 528 L CA 0.151 54.948 54.840 -0.072 0.000 0.900 528 L CB -0.224 41.850 42.059 0.026 0.000 1.146 528 L HN 0.299 nan 8.230 nan 0.000 0.484 529 Y N 1.317 121.557 120.300 -0.100 0.000 2.114 529 Y HA -0.174 4.373 4.550 -0.006 0.000 0.284 529 Y C 2.367 178.220 175.900 -0.079 0.000 1.143 529 Y CA 1.912 59.952 58.100 -0.101 0.000 1.135 529 Y CB -0.195 38.171 38.460 -0.156 0.000 0.980 529 Y HN 0.117 nan 8.280 nan 0.000 0.499 530 G N -1.029 107.871 108.800 0.166 0.000 2.440 530 G HA2 -0.379 3.577 3.960 -0.006 0.000 0.218 530 G HA3 -0.379 3.577 3.960 -0.006 0.000 0.218 530 G C 1.523 176.442 174.900 0.032 0.000 1.154 530 G CA 1.095 46.252 45.100 0.096 0.000 0.767 530 G HN 0.580 nan 8.290 nan 0.000 0.552 531 Y N 2.867 123.150 120.300 -0.028 0.000 2.097 531 Y HA -0.254 4.292 4.550 -0.006 0.000 0.282 531 Y C 3.118 178.939 175.900 -0.132 0.000 1.152 531 Y CA 2.098 60.191 58.100 -0.012 0.000 1.136 531 Y CB -0.588 37.914 38.460 0.070 0.000 0.975 531 Y HN 0.310 nan 8.280 nan 0.000 0.498 532 S N -0.346 115.207 115.700 -0.245 0.000 2.423 532 S HA -0.228 4.238 4.470 -0.006 0.000 0.231 532 S C 2.140 176.404 174.600 -0.560 0.000 1.014 532 S CA 1.296 59.218 58.200 -0.464 0.000 0.965 532 S CB -0.687 62.172 63.200 -0.568 0.000 0.785 532 S HN 0.657 nan 8.310 nan 0.000 0.495 533 M N 1.050 120.255 119.600 -0.659 0.000 2.288 533 M HA 0.129 4.605 4.480 -0.006 0.000 0.266 533 M C 2.310 178.254 176.300 -0.592 0.000 1.072 533 M CA 1.173 55.873 55.300 -1.000 0.000 1.132 533 M CB -0.465 31.487 32.600 -1.081 0.000 1.386 533 M HN 0.537 nan 8.290 nan 0.000 0.432 534 A N 0.774 123.368 122.820 -0.378 0.000 1.902 534 A HA -0.144 4.172 4.320 -0.006 0.000 0.217 534 A C 1.895 179.303 177.584 -0.293 0.000 1.181 534 A CA 1.405 53.302 52.037 -0.234 0.000 0.623 534 A CB -0.848 18.088 19.000 -0.108 0.000 0.818 534 A HN 0.547 nan 8.150 nan 0.000 0.443 535 I N -0.188 120.074 120.570 -0.514 0.000 2.179 535 I HA -0.282 3.884 4.170 -0.006 0.000 0.242 535 I C 2.965 178.944 176.117 -0.231 0.000 1.088 535 I CA 1.107 62.096 61.300 -0.520 0.000 1.357 535 I CB -0.306 37.305 38.000 -0.647 0.000 1.051 535 I HN 0.347 nan 8.210 nan 0.000 0.409 536 A N 0.196 122.873 122.820 -0.239 0.000 1.902 536 A HA -0.199 4.117 4.320 -0.006 0.000 0.217 536 A C 2.366 180.025 177.584 0.124 0.000 1.181 536 A CA 2.446 54.445 52.037 -0.064 0.000 0.623 536 A CB -1.069 17.833 19.000 -0.163 0.000 0.818 536 A HN 0.411 nan 8.150 nan 0.000 0.443 537 T N -0.754 113.839 114.554 0.064 0.000 2.904 537 T HA -0.070 4.276 4.350 -0.006 0.000 0.267 537 T C 1.776 176.563 174.700 0.146 0.000 1.059 537 T CA 1.179 63.418 62.100 0.233 0.000 1.137 537 T CB -0.121 68.865 68.868 0.197 0.000 0.879 537 T HN 0.656 nan 8.240 nan 0.000 0.467 538 E N 0.910 121.152 120.200 0.070 0.000 2.077 538 E HA -0.212 4.134 4.350 -0.006 0.000 0.193 538 E C 2.284 178.947 176.600 0.105 0.000 0.989 538 E CA 1.082 57.535 56.400 0.089 0.000 0.800 538 E CB 0.016 29.775 29.700 0.098 0.000 0.746 538 E HN 0.422 nan 8.360 nan 0.000 0.452 539 Q N 0.005 119.862 119.800 0.095 0.000 2.050 539 Q HA -0.131 4.205 4.340 -0.006 0.000 0.202 539 Q C 2.014 178.083 176.000 0.115 0.000 0.980 539 Q CA 1.856 57.720 55.803 0.101 0.000 0.840 539 Q CB -0.262 28.534 28.738 0.096 0.000 0.898 539 Q HN 0.349 nan 8.270 nan 0.000 0.424 540 A N -0.359 122.553 122.820 0.154 0.000 1.948 540 A HA -0.190 4.126 4.320 -0.006 0.000 0.220 540 A C 2.271 179.926 177.584 0.118 0.000 1.177 540 A CA 1.628 53.734 52.037 0.116 0.000 0.636 540 A CB -0.861 18.209 19.000 0.118 0.000 0.815 540 A HN 0.268 nan 8.150 nan 0.000 0.449 541 V N -0.188 119.836 119.914 0.184 0.000 2.343 541 V HA -0.245 3.871 4.120 -0.006 0.000 0.247 541 V C 2.732 178.959 176.094 0.221 0.000 1.051 541 V CA 2.075 64.544 62.300 0.282 0.000 1.036 541 V CB -0.626 31.361 31.823 0.273 0.000 0.654 541 V HN 0.537 nan 8.190 nan 0.000 0.451 542 Q N 0.254 120.137 119.800 0.139 0.000 2.124 542 Q HA -0.166 4.170 4.340 -0.006 0.000 0.202 542 Q C 2.479 178.508 176.000 0.047 0.000 0.977 542 Q CA 2.331 58.193 55.803 0.098 0.000 0.850 542 Q CB -0.685 28.101 28.738 0.081 0.000 0.901 542 Q HN 0.777 nan 8.270 nan 0.000 0.429 543 K N 0.311 120.723 120.400 0.019 0.000 2.025 543 K HA -0.045 4.271 4.320 -0.006 0.000 0.207 543 K C 2.250 178.779 176.600 -0.118 0.000 1.049 543 K CA 1.572 57.837 56.287 -0.036 0.000 0.933 543 K CB -1.084 31.393 32.500 -0.038 0.000 0.714 543 K HN 0.123 nan 8.250 nan 0.000 0.438 544 V N -0.318 119.479 119.914 -0.195 0.000 2.323 544 V HA 0.068 4.185 4.120 -0.006 0.000 0.244 544 V C 0.694 176.342 176.094 -0.744 0.000 1.041 544 V CA 0.830 62.798 62.300 -0.554 0.000 1.025 544 V CB -0.465 30.876 31.823 -0.803 0.000 0.656 544 V HN 0.506 nan 8.190 nan 0.000 0.451 545 F N 0.924 120.804 119.950 -0.116 0.000 2.363 545 F HA 0.482 5.005 4.527 -0.007 0.000 0.366 545 F C -2.606 173.178 175.800 -0.026 0.000 1.083 545 F CA -2.874 55.076 58.000 -0.084 0.000 1.176 545 F CB 0.137 39.115 39.000 -0.037 0.000 1.432 545 F HN 0.013 nan 8.300 nan 0.000 0.482 546 P HA 0.012 nan 4.420 nan 0.000 0.263 546 P C 0.505 177.857 177.300 0.088 0.000 1.195 546 P CA 0.563 63.702 63.100 0.065 0.000 0.762 546 P CB 0.499 32.214 31.700 0.025 0.000 0.799 547 N N 0.488 119.237 118.700 0.083 0.000 2.765 547 N HA -0.191 4.545 4.740 -0.006 0.000 0.248 547 N C -0.272 175.288 175.510 0.082 0.000 1.063 547 N CA 1.297 54.392 53.050 0.075 0.000 0.862 547 N CB -0.687 37.835 38.487 0.058 0.000 1.145 547 N HN 0.302 nan 8.380 nan 0.000 0.581 548 K N 0.091 120.560 120.400 0.114 0.000 2.090 548 K HA 0.335 4.651 4.320 -0.006 0.000 0.249 548 K C 1.290 177.938 176.600 0.080 0.000 0.995 548 K CA -0.472 55.877 56.287 0.103 0.000 0.914 548 K CB 0.512 33.089 32.500 0.129 0.000 1.057 548 K HN 0.169 nan 8.250 nan 0.000 0.462 549 R N 0.213 120.743 120.500 0.050 0.000 2.128 549 R HA -0.003 4.333 4.340 -0.006 0.000 0.211 549 R C 0.886 177.188 176.300 0.002 0.000 1.067 549 R CA 0.581 56.690 56.100 0.015 0.000 1.010 549 R CB 0.155 30.441 30.300 -0.024 0.000 0.922 549 R HN 0.871 nan 8.270 nan 0.000 0.457 550 S N -0.662 115.044 115.700 0.009 0.000 3.469 550 S HA -0.313 4.153 4.470 -0.006 0.000 0.628 550 S C -0.655 173.986 174.600 0.067 0.000 2.687 550 S CA 1.185 59.397 58.200 0.019 0.000 3.829 550 S CB -0.742 62.331 63.200 -0.210 0.000 0.258 550 S HN 0.252 nan 8.310 nan 0.000 1.222 551 F N 0.869 120.766 119.950 -0.088 0.000 2.588 551 F HA 0.751 5.274 4.527 -0.007 0.000 0.314 551 F C -1.065 174.700 175.800 -0.058 0.000 1.134 551 F CA -0.779 57.108 58.000 -0.189 0.000 0.961 551 F CB 1.171 40.022 39.000 -0.247 0.000 1.239 551 F HN 0.536 nan 8.300 nan 0.000 0.448 552 I N 7.342 127.511 120.570 -0.669 0.000 2.497 552 I HA 0.353 4.519 4.170 -0.006 0.000 0.284 552 I C -1.630 174.006 176.117 -0.800 0.000 1.060 552 I CA -0.835 60.141 61.300 -0.539 0.000 1.071 552 I CB 1.898 39.779 38.000 -0.198 0.000 1.216 552 I HN 0.444 nan 8.210 nan 0.000 0.442 553 L N 6.343 127.099 121.223 -0.777 0.000 2.287 553 L HA 0.641 4.977 4.340 -0.006 0.000 0.287 553 L C -0.181 176.657 176.870 -0.053 0.000 1.022 553 L CA 0.376 54.864 54.840 -0.586 0.000 0.814 553 L CB 1.724 43.306 42.059 -0.796 0.000 1.217 553 L HN 0.573 nan 8.230 nan 0.000 0.420 554 T N 3.669 118.257 114.554 0.056 0.000 2.912 554 T HA 0.440 4.786 4.350 -0.006 0.000 0.288 554 T C 0.699 175.609 174.700 0.350 0.000 1.030 554 T CA -0.418 61.809 62.100 0.212 0.000 1.020 554 T CB 1.604 70.539 68.868 0.113 0.000 1.056 554 T HN 0.838 nan 8.240 nan 0.000 0.480 555 R N 1.594 122.271 120.500 0.296 0.000 2.051 555 R HA 0.261 4.598 4.340 -0.006 0.000 0.218 555 R C 0.987 177.358 176.300 0.118 0.000 1.188 555 R CA 0.281 56.387 56.100 0.009 0.000 0.992 555 R CB -0.408 29.797 30.300 -0.159 0.000 0.883 555 R HN 0.591 nan 8.270 nan 0.000 0.444 556 S N 0.372 116.150 115.700 0.131 0.000 2.576 556 S HA 0.135 4.601 4.470 -0.006 0.000 0.276 556 S C -0.729 173.964 174.600 0.155 0.000 1.339 556 S CA -0.081 58.212 58.200 0.155 0.000 1.039 556 S CB 0.772 64.046 63.200 0.124 0.000 0.902 556 S HN 0.421 nan 8.310 nan 0.000 0.516 557 T N 2.705 117.356 114.554 0.161 0.000 2.956 557 T HA 0.621 4.967 4.350 -0.006 0.000 0.312 557 T C -1.015 173.832 174.700 0.244 0.000 1.151 557 T CA -0.636 61.572 62.100 0.179 0.000 1.024 557 T CB 1.047 69.968 68.868 0.089 0.000 1.140 557 T HN 0.534 nan 8.240 nan 0.000 0.473 558 F N 1.553 121.544 119.950 0.069 0.000 2.661 558 F HA 0.777 5.300 4.527 -0.007 0.000 0.347 558 F C 0.055 175.819 175.800 -0.061 0.000 1.086 558 F CA -1.246 56.726 58.000 -0.047 0.000 1.016 558 F CB 1.122 39.972 39.000 -0.251 0.000 1.368 558 F HN 0.944 nan 8.300 nan 0.000 0.505 559 A N 1.356 123.562 122.820 -1.023 0.000 2.561 559 A HA 0.396 4.712 4.320 -0.006 0.000 0.251 559 A C 0.993 178.467 177.584 -0.182 0.000 1.062 559 A CA 0.819 52.491 52.037 -0.609 0.000 0.761 559 A CB -1.539 17.007 19.000 -0.757 0.000 0.986 559 A HN 2.071 nan 8.150 nan 0.000 0.510 560 G N 2.251 110.966 108.800 -0.142 0.000 2.176 560 G HA2 -0.239 3.717 3.960 -0.006 0.000 0.252 560 G HA3 -0.239 3.717 3.960 -0.006 0.000 0.252 560 G C 0.834 175.816 174.900 0.136 0.000 1.024 560 G CA 0.580 45.632 45.100 -0.080 0.000 0.755 560 G HN 1.186 nan 8.290 nan 0.000 0.507 561 S N -0.351 115.484 115.700 0.226 0.000 2.515 561 S HA 0.119 4.585 4.470 -0.006 0.000 0.231 561 S C 2.534 177.227 174.600 0.155 0.000 0.987 561 S CA 1.258 59.661 58.200 0.339 0.000 0.936 561 S CB -0.061 63.333 63.200 0.323 0.000 0.766 561 S HN 1.213 nan 8.310 nan 0.000 0.528 562 G N 2.084 110.923 108.800 0.065 0.000 2.475 562 G HA2 -0.283 3.673 3.960 -0.006 0.000 0.220 562 G HA3 -0.283 3.673 3.960 -0.006 0.000 0.220 562 G C 1.328 176.171 174.900 -0.095 0.000 1.125 562 G CA 0.745 45.849 45.100 0.008 0.000 0.755 562 G HN 0.467 nan 8.290 nan 0.000 0.565 563 R N -0.629 119.732 120.500 -0.231 0.000 2.193 563 R HA -0.076 4.261 4.340 -0.006 0.000 0.229 563 R C 1.898 177.904 176.300 -0.489 0.000 1.110 563 R CA 1.408 57.242 56.100 -0.443 0.000 0.988 563 R CB -0.089 29.807 30.300 -0.673 0.000 0.871 563 R HN 0.522 nan 8.270 nan 0.000 0.458 564 H N -2.568 116.495 119.070 -0.011 0.000 2.800 564 H HA 0.395 4.947 4.556 -0.007 0.000 0.257 564 H C 0.070 175.363 175.328 -0.058 0.000 0.967 564 H CA 0.642 56.670 56.048 -0.032 0.000 1.192 564 H CB 0.945 30.677 29.762 -0.050 0.000 1.441 564 H HN 0.210 nan 8.280 nan 0.000 0.461 565 A N 0.717 123.567 122.820 0.049 0.000 2.593 565 A HA 0.744 5.060 4.320 -0.006 0.000 0.290 565 A C -1.003 176.533 177.584 -0.080 0.000 1.126 565 A CA -0.123 51.884 52.037 -0.049 0.000 0.695 565 A CB 1.258 20.242 19.000 -0.026 0.000 1.290 565 A HN 0.230 nan 8.150 nan 0.000 0.414 566 A N -0.278 122.415 122.820 -0.211 0.000 2.282 566 A HA 0.728 5.044 4.320 -0.006 0.000 0.319 566 A C -0.491 177.010 177.584 -0.137 0.000 1.121 566 A CA -0.141 51.767 52.037 -0.216 0.000 0.836 566 A CB 0.451 19.195 19.000 -0.426 0.000 1.146 566 A HN 1.486 nan 8.150 nan 0.000 0.494 567 H N -0.660 118.281 119.070 -0.214 0.000 2.768 567 H HA 0.582 5.134 4.556 -0.007 0.000 0.371 567 H C -1.240 173.990 175.328 -0.162 0.000 1.151 567 H CA -0.706 55.231 56.048 -0.185 0.000 1.165 567 H CB 1.135 30.740 29.762 -0.263 0.000 1.722 567 H HN 0.871 nan 8.280 nan 0.000 0.543 568 W N 5.633 126.331 121.300 -1.003 0.000 2.781 568 W HA 0.421 5.078 4.660 -0.006 0.000 0.345 568 W C -1.008 174.923 176.519 -0.981 0.000 1.085 568 W CA -1.218 55.680 57.345 -0.745 0.000 1.198 568 W CB 0.988 30.214 29.460 -0.390 0.000 1.423 568 W HN 0.526 nan 8.180 nan 0.000 0.532 569 L N 4.484 125.258 121.223 -0.748 0.000 2.711 569 L HA 0.233 4.569 4.340 -0.006 0.000 0.242 569 L C 1.291 177.816 176.870 -0.574 0.000 1.153 569 L CA 0.973 55.476 54.840 -0.561 0.000 0.898 569 L CB -1.457 40.510 42.059 -0.153 0.000 1.044 569 L HN 1.026 nan 8.230 nan 0.000 0.437 570 G N 0.314 108.276 108.800 -1.397 0.000 2.568 570 G HA2 -0.241 3.715 3.960 -0.006 0.000 0.222 570 G HA3 -0.241 3.715 3.960 -0.006 0.000 0.222 570 G C -0.652 174.138 174.900 -0.183 0.000 1.321 570 G CA -0.440 44.047 45.100 -1.022 0.000 0.893 570 G HN 0.239 nan 8.290 nan 0.000 0.569 571 D N 2.452 122.874 120.400 0.038 0.000 2.517 571 D HA 0.360 4.997 4.640 -0.006 0.000 0.220 571 D C 1.120 177.607 176.300 0.311 0.000 1.158 571 D CA -0.018 54.041 54.000 0.099 0.000 0.992 571 D CB -0.266 40.650 40.800 0.194 0.000 1.058 571 D HN 0.648 nan 8.370 nan 0.000 0.516 572 N N -0.046 118.844 118.700 0.315 0.000 2.328 572 N HA 0.280 5.016 4.740 -0.006 0.000 0.277 572 N C -0.286 175.439 175.510 0.359 0.000 1.286 572 N CA -0.326 52.934 53.050 0.350 0.000 0.949 572 N CB 0.258 38.970 38.487 0.375 0.000 1.136 572 N HN -0.086 nan 8.380 nan 0.000 0.550 573 T N -1.421 113.323 114.554 0.316 0.000 2.886 573 T HA 0.661 5.007 4.350 -0.006 0.000 0.292 573 T C -0.526 174.310 174.700 0.227 0.000 1.012 573 T CA -0.674 61.556 62.100 0.215 0.000 0.982 573 T CB 1.431 70.409 68.868 0.183 0.000 1.018 573 T HN 0.740 nan 8.240 nan 0.000 0.451 574 A N 2.562 125.454 122.820 0.120 0.000 2.535 574 A HA 0.526 4.842 4.320 -0.006 0.000 0.290 574 A C 0.559 178.212 177.584 0.114 0.000 1.270 574 A CA 0.003 52.131 52.037 0.151 0.000 0.937 574 A CB -0.833 18.180 19.000 0.023 0.000 1.096 574 A HN 0.903 nan 8.150 nan 0.000 0.534 575 S N 1.655 117.414 115.700 0.098 0.000 2.583 575 S HA 0.337 4.803 4.470 -0.006 0.000 0.294 575 S C -0.042 174.449 174.600 -0.181 0.000 1.121 575 S CA -0.638 57.562 58.200 -0.001 0.000 0.910 575 S CB 0.047 63.256 63.200 0.014 0.000 1.102 575 S HN 0.543 nan 8.310 nan 0.000 0.451 576 W N 2.548 123.731 121.300 -0.195 0.000 2.358 576 W HA 0.048 4.704 4.660 -0.007 0.000 0.303 576 W C 2.187 178.437 176.519 -0.448 0.000 1.208 576 W CA 1.467 58.635 57.345 -0.295 0.000 1.274 576 W CB -0.415 28.927 29.460 -0.197 0.000 1.138 576 W HN 0.844 nan 8.180 nan 0.000 0.515 577 E N 0.030 120.046 120.200 -0.307 0.000 2.068 577 E HA -0.325 4.021 4.350 -0.006 0.000 0.207 577 E C 2.125 177.936 176.600 -1.315 0.000 1.032 577 E CA 1.875 57.743 56.400 -0.887 0.000 0.839 577 E CB -0.533 28.529 29.700 -1.062 0.000 0.758 577 E HN 0.348 nan 8.360 nan 0.000 0.457 578 Q N -0.292 118.984 119.800 -0.873 0.000 2.226 578 Q HA -0.159 4.177 4.340 -0.006 0.000 0.204 578 Q C 2.100 177.956 176.000 -0.240 0.000 0.975 578 Q CA 0.943 56.522 55.803 -0.372 0.000 0.866 578 Q CB -0.177 28.584 28.738 0.037 0.000 0.915 578 Q HN 0.429 nan 8.270 nan 0.000 0.440 579 M N 0.518 119.738 119.600 -0.634 0.000 2.156 579 M HA -0.177 4.299 4.480 -0.006 0.000 0.264 579 M C 2.229 178.285 176.300 -0.406 0.000 1.067 579 M CA 1.887 56.608 55.300 -0.965 0.000 1.131 579 M CB -0.111 31.529 32.600 -1.598 0.000 1.368 579 M HN 0.206 nan 8.290 nan 0.000 0.416 580 E N 0.126 120.131 120.200 -0.325 0.000 2.051 580 E HA -0.254 4.092 4.350 -0.006 0.000 0.192 580 E C 1.343 178.006 176.600 0.105 0.000 0.991 580 E CA 1.861 58.196 56.400 -0.108 0.000 0.799 580 E CB -1.550 28.084 29.700 -0.110 0.000 0.748 580 E HN 0.788 nan 8.360 nan 0.000 0.449 581 W N 1.349 122.671 121.300 0.036 0.000 2.525 581 W HA -0.038 4.618 4.660 -0.007 0.000 0.259 581 W C 2.717 179.284 176.519 0.080 0.000 1.253 581 W CA 1.232 58.620 57.345 0.071 0.000 1.262 581 W CB -1.151 28.362 29.460 0.090 0.000 1.122 581 W HN 0.525 nan 8.180 nan 0.000 0.607 582 S N -0.016 115.854 115.700 0.283 0.000 2.423 582 S HA -0.145 4.321 4.470 -0.006 0.000 0.231 582 S C 1.777 176.450 174.600 0.122 0.000 1.014 582 S CA 1.002 59.336 58.200 0.223 0.000 0.965 582 S CB -0.714 62.669 63.200 0.305 0.000 0.785 582 S HN 0.214 nan 8.310 nan 0.000 0.495 583 I N 2.009 122.646 120.570 0.113 0.000 2.113 583 I HA -0.157 4.009 4.170 -0.006 0.000 0.238 583 I C 3.140 179.220 176.117 -0.061 0.000 1.070 583 I CA 1.744 63.032 61.300 -0.019 0.000 1.332 583 I CB -0.915 37.096 38.000 0.019 0.000 1.044 583 I HN 0.468 nan 8.210 nan 0.000 0.402 584 T N -0.054 114.528 114.554 0.046 0.000 2.881 584 T HA -0.080 4.266 4.350 -0.006 0.000 0.270 584 T C 1.811 176.583 174.700 0.121 0.000 1.068 584 T CA 1.517 63.655 62.100 0.062 0.000 1.131 584 T CB -0.514 68.469 68.868 0.192 0.000 0.871 584 T HN 0.485 nan 8.240 nan 0.000 0.479 585 G N 0.890 109.778 108.800 0.146 0.000 2.403 585 G HA2 -0.043 3.913 3.960 -0.006 0.000 0.216 585 G HA3 -0.043 3.913 3.960 -0.006 0.000 0.216 585 G C 1.597 176.621 174.900 0.207 0.000 1.154 585 G CA 0.762 45.987 45.100 0.208 0.000 0.784 585 G HN 0.572 nan 8.290 nan 0.000 0.538 586 M N 0.058 119.688 119.600 0.050 0.000 2.132 586 M HA 0.119 4.595 4.480 -0.006 0.000 0.263 586 M C 2.308 178.585 176.300 -0.038 0.000 1.065 586 M CA 1.219 56.511 55.300 -0.013 0.000 1.122 586 M CB -0.201 32.300 32.600 -0.165 0.000 1.365 586 M HN 0.176 nan 8.290 nan 0.000 0.411 587 L N 0.242 121.362 121.223 -0.171 0.000 2.093 587 L HA -0.178 4.158 4.340 -0.006 0.000 0.208 587 L C 2.222 178.987 176.870 -0.174 0.000 1.085 587 L CA 1.347 55.996 54.840 -0.318 0.000 0.755 587 L CB -0.650 40.940 42.059 -0.782 0.000 0.904 587 L HN 0.386 nan 8.230 nan 0.000 0.435 588 E N -0.389 119.789 120.200 -0.037 0.000 2.110 588 E HA -0.205 4.141 4.350 -0.006 0.000 0.193 588 E C 1.996 178.146 176.600 -0.750 0.000 0.988 588 E CA 1.245 57.493 56.400 -0.254 0.000 0.804 588 E CB -0.025 29.608 29.700 -0.112 0.000 0.745 588 E HN 0.352 nan 8.360 nan 0.000 0.458 589 F N 0.191 119.969 119.950 -0.286 0.000 2.456 589 F HA -0.056 4.467 4.527 -0.007 0.000 0.298 589 F C 2.451 178.198 175.800 -0.089 0.000 1.104 589 F CA 0.509 58.446 58.000 -0.104 0.000 1.435 589 F CB 0.125 39.197 39.000 0.119 0.000 1.078 589 F HN -0.100 nan 8.300 nan 0.000 0.546 590 S N 0.488 116.194 115.700 0.009 0.000 2.359 590 S HA -0.169 4.297 4.470 -0.006 0.000 0.224 590 S C 2.172 176.747 174.600 -0.042 0.000 1.035 590 S CA 1.160 59.341 58.200 -0.030 0.000 1.018 590 S CB -0.492 62.651 63.200 -0.095 0.000 0.876 590 S HN 0.294 nan 8.310 nan 0.000 0.448 591 L N -0.012 121.131 121.223 -0.133 0.000 2.079 591 L HA -0.097 4.239 4.340 -0.006 0.000 0.210 591 L C 1.597 178.504 176.870 0.062 0.000 1.081 591 L CA 1.119 55.940 54.840 -0.033 0.000 0.752 591 L CB -0.714 41.282 42.059 -0.105 0.000 0.896 591 L HN 0.294 nan 8.230 nan 0.000 0.433 592 F N 0.459 120.430 119.950 0.034 0.000 2.804 592 F HA 0.229 4.752 4.527 -0.007 0.000 0.303 592 F C 1.802 177.636 175.800 0.058 0.000 1.154 592 F CA 0.023 58.014 58.000 -0.015 0.000 1.401 592 F CB -1.312 37.553 39.000 -0.225 0.000 1.106 592 F HN 0.184 nan 8.300 nan 0.000 0.568 593 G N 1.295 110.203 108.800 0.180 0.000 2.221 593 G HA2 -0.307 3.649 3.960 -0.006 0.000 0.265 593 G HA3 -0.307 3.649 3.960 -0.006 0.000 0.265 593 G C 0.159 175.107 174.900 0.079 0.000 1.041 593 G CA 0.077 45.219 45.100 0.069 0.000 0.807 593 G HN 0.425 nan 8.290 nan 0.000 0.502 594 I N 0.775 121.449 120.570 0.174 0.000 2.620 594 I HA 0.190 4.356 4.170 -0.006 0.000 0.280 594 I C -0.987 175.238 176.117 0.180 0.000 1.143 594 I CA -2.123 59.297 61.300 0.199 0.000 1.163 594 I CB 1.365 39.574 38.000 0.348 0.000 1.461 594 I HN -0.052 nan 8.210 nan 0.000 0.530 595 P HA -0.112 nan 4.420 nan 0.000 0.222 595 P C 0.717 178.136 177.300 0.199 0.000 1.153 595 P CA 0.603 63.740 63.100 0.062 0.000 0.798 595 P CB 0.612 32.260 31.700 -0.086 0.000 0.796 596 L N 1.233 122.652 121.223 0.327 0.000 2.387 596 L HA 0.326 4.662 4.340 -0.006 0.000 0.267 596 L C -0.478 176.487 176.870 0.157 0.000 1.197 596 L CA -0.244 54.783 54.840 0.311 0.000 1.070 596 L CB -0.414 41.717 42.059 0.120 0.000 1.349 596 L HN -0.261 nan 8.230 nan 0.000 0.422 597 V N 3.837 123.867 119.914 0.194 0.000 2.841 597 V HA 1.010 5.126 4.120 -0.006 0.000 0.310 597 V C -0.146 176.034 176.094 0.143 0.000 1.090 597 V CA 0.288 62.654 62.300 0.109 0.000 0.930 597 V CB 1.940 33.802 31.823 0.064 0.000 1.014 597 V HN 0.723 nan 8.190 nan 0.000 0.425 598 G N 3.142 112.012 108.800 0.117 0.000 2.649 598 G HA2 0.861 4.817 3.960 -0.006 0.000 0.290 598 G HA3 0.861 4.817 3.960 -0.006 0.000 0.290 598 G C -0.983 173.810 174.900 -0.177 0.000 1.426 598 G CA -0.113 44.905 45.100 -0.137 0.000 0.794 598 G HN 1.350 nan 8.290 nan 0.000 0.483 599 A N -0.598 121.952 122.820 -0.451 0.000 2.263 599 A HA 0.735 5.051 4.320 -0.006 0.000 0.318 599 A C -0.738 176.947 177.584 0.169 0.000 1.111 599 A CA -0.539 51.489 52.037 -0.015 0.000 0.901 599 A CB 0.801 19.876 19.000 0.124 0.000 1.280 599 A HN 0.429 nan 8.150 nan 0.000 0.503 600 D N 1.293 121.802 120.400 0.182 0.000 2.365 600 D HA 0.341 4.977 4.640 -0.006 0.000 0.237 600 D C -0.074 176.038 176.300 -0.314 0.000 1.190 600 D CA 0.396 54.423 54.000 0.045 0.000 0.867 600 D CB 0.304 41.208 40.800 0.172 0.000 1.050 600 D HN 0.356 nan 8.370 nan 0.000 0.491 601 I N 1.696 122.080 120.570 -0.311 0.000 2.752 601 I HA -0.139 4.027 4.170 -0.006 0.000 0.289 601 I C 1.126 176.747 176.117 -0.827 0.000 1.197 601 I CA -0.063 60.808 61.300 -0.714 0.000 1.432 601 I CB 0.259 38.154 38.000 -0.176 0.000 1.359 601 I HN 0.586 nan 8.210 nan 0.000 0.571 602 c N 3.896 121.684 118.600 -1.354 0.000 5.538 602 c HA -0.111 4.455 4.570 -0.006 0.000 0.254 602 c C 0.861 174.643 174.090 -0.513 0.000 1.712 602 c CA 0.309 56.297 56.329 -0.568 0.000 1.530 602 c CB -2.446 39.965 42.510 -0.166 0.000 2.410 602 c HN 1.574 nan 8.230 nan 0.000 0.564 603 G N -1.128 107.206 108.800 -0.778 0.000 3.338 603 G HA2 0.108 4.064 3.960 -0.006 0.000 0.686 603 G HA3 0.108 4.064 3.960 -0.006 0.000 0.686 603 G C -0.314 174.545 174.900 -0.069 0.000 1.053 603 G CA 0.096 45.033 45.100 -0.272 0.000 0.852 603 G HN 0.938 nan 8.290 nan 0.000 0.545 604 F N 3.104 123.006 119.950 -0.081 0.000 1.983 604 F HA 0.206 4.729 4.527 -0.007 0.000 0.295 604 F C 1.913 177.660 175.800 -0.088 0.000 1.197 604 F CA 1.964 59.952 58.000 -0.019 0.000 1.165 604 F CB -0.486 38.605 39.000 0.151 0.000 0.970 604 F HN 0.537 nan 8.300 nan 0.000 0.488 605 V N 1.359 121.259 119.914 -0.022 0.000 2.872 605 V HA 0.377 4.494 4.120 -0.006 0.000 0.307 605 V C 0.358 176.142 176.094 -0.517 0.000 1.072 605 V CA -0.541 61.592 62.300 -0.279 0.000 1.148 605 V CB -0.497 31.363 31.823 0.061 0.000 0.954 605 V HN 0.876 nan 8.190 nan 0.000 0.490 606 A N 3.392 125.496 122.820 -1.193 0.000 2.441 606 A HA -0.100 4.216 4.320 -0.006 0.000 0.686 606 A C -0.127 177.033 177.584 -0.706 0.000 0.143 606 A CA 0.006 51.500 52.037 -0.906 0.000 0.029 606 A CB -0.924 17.916 19.000 -0.265 0.000 3.973 606 A HN 0.869 nan 8.150 nan 0.000 0.548 607 E N 0.141 120.185 120.200 -0.260 0.000 2.331 607 E HA 0.440 4.786 4.350 -0.006 0.000 0.272 607 E C 0.444 177.039 176.600 -0.010 0.000 1.036 607 E CA 0.341 56.709 56.400 -0.053 0.000 0.864 607 E CB 1.282 31.029 29.700 0.079 0.000 1.035 607 E HN 0.754 nan 8.360 nan 0.000 0.408 608 T N 1.418 115.996 114.554 0.040 0.000 2.918 608 T HA 0.216 4.562 4.350 -0.006 0.000 0.283 608 T C -0.097 174.709 174.700 0.177 0.000 1.001 608 T CA -0.497 61.661 62.100 0.097 0.000 1.041 608 T CB 0.998 69.932 68.868 0.110 0.000 1.028 608 T HN 0.316 nan 8.240 nan 0.000 0.511 609 T N 3.316 117.966 114.554 0.159 0.000 2.899 609 T HA 0.202 4.549 4.350 -0.006 0.000 0.284 609 T C 1.394 176.213 174.700 0.198 0.000 1.004 609 T CA -0.730 61.487 62.100 0.196 0.000 1.043 609 T CB 1.296 70.285 68.868 0.200 0.000 1.013 609 T HN 0.722 nan 8.240 nan 0.000 0.518 610 E N 1.358 121.700 120.200 0.237 0.000 2.058 610 E HA -0.206 4.140 4.350 -0.006 0.000 0.194 610 E C 1.908 178.496 176.600 -0.020 0.000 0.997 610 E CA 1.598 58.049 56.400 0.086 0.000 0.801 610 E CB -0.021 29.784 29.700 0.175 0.000 0.746 610 E HN 0.831 nan 8.360 nan 0.000 0.450 611 E N 0.026 120.286 120.200 0.101 0.000 2.031 611 E HA -0.195 4.151 4.350 -0.006 0.000 0.193 611 E C 2.473 179.137 176.600 0.106 0.000 0.994 611 E CA 1.133 57.627 56.400 0.157 0.000 0.800 611 E CB -0.189 29.683 29.700 0.286 0.000 0.752 611 E HN 0.193 nan 8.360 nan 0.000 0.447 612 L N 0.809 122.047 121.223 0.026 0.000 2.017 612 L HA -0.176 4.160 4.340 -0.006 0.000 0.208 612 L C 2.533 179.250 176.870 -0.256 0.000 1.073 612 L CA 1.979 56.532 54.840 -0.477 0.000 0.745 612 L CB -0.815 40.940 42.059 -0.506 0.000 0.894 612 L HN 0.337 nan 8.230 nan 0.000 0.432 613 c N -0.131 118.405 118.600 -0.108 0.000 2.446 613 c HA -0.071 4.495 4.570 -0.006 0.000 0.279 613 c C 3.044 177.054 174.090 -0.133 0.000 1.366 613 c CA 0.826 57.106 56.329 -0.080 0.000 1.763 613 c CB -1.056 41.370 42.510 -0.140 0.000 1.929 613 c HN 0.690 nan 8.230 nan 0.000 0.509 614 R N 0.087 120.484 120.500 -0.172 0.000 2.075 614 R HA -0.060 4.276 4.340 -0.006 0.000 0.232 614 R C 2.406 178.673 176.300 -0.055 0.000 1.126 614 R CA 1.258 57.283 56.100 -0.126 0.000 0.963 614 R CB -0.245 29.998 30.300 -0.095 0.000 0.858 614 R HN 0.367 nan 8.270 nan 0.000 0.435 615 R N -0.061 120.406 120.500 -0.054 0.000 2.066 615 R HA -0.148 4.188 4.340 -0.006 0.000 0.232 615 R C 1.916 178.195 176.300 -0.035 0.000 1.131 615 R CA 0.987 57.053 56.100 -0.056 0.000 0.955 615 R CB -1.038 29.223 30.300 -0.065 0.000 0.851 615 R HN 0.424 nan 8.270 nan 0.000 0.432 616 W N 0.857 122.028 121.300 -0.216 0.000 2.392 616 W HA -0.063 4.593 4.660 -0.007 0.000 0.279 616 W C 1.702 178.137 176.519 -0.140 0.000 1.225 616 W CA 0.789 58.031 57.345 -0.172 0.000 1.233 616 W CB -0.123 29.239 29.460 -0.162 0.000 1.122 616 W HN 0.017 nan 8.180 nan 0.000 0.561 617 M N -0.027 119.641 119.600 0.113 0.000 2.254 617 M HA -0.161 4.315 4.480 -0.006 0.000 0.265 617 M C 1.923 178.211 176.300 -0.020 0.000 1.066 617 M CA 1.460 56.766 55.300 0.010 0.000 1.123 617 M CB -1.224 31.348 32.600 -0.047 0.000 1.388 617 M HN 0.119 nan 8.290 nan 0.000 0.425 618 Q N -0.262 119.521 119.800 -0.029 0.000 1.990 618 Q HA -0.193 4.143 4.340 -0.006 0.000 0.200 618 Q C 2.063 178.042 176.000 -0.034 0.000 0.980 618 Q CA 1.340 57.078 55.803 -0.108 0.000 0.832 618 Q CB -0.407 28.195 28.738 -0.226 0.000 0.897 618 Q HN 0.318 nan 8.270 nan 0.000 0.427 619 L N 0.683 121.885 121.223 -0.036 0.000 1.989 619 L HA -0.094 4.242 4.340 -0.006 0.000 0.211 619 L C 2.152 178.947 176.870 -0.125 0.000 1.071 619 L CA 2.440 57.267 54.840 -0.020 0.000 0.749 619 L CB -1.152 40.869 42.059 -0.063 0.000 0.890 619 L HN 0.242 nan 8.230 nan 0.000 0.431 620 G N -1.085 107.587 108.800 -0.213 0.000 2.485 620 G HA2 -0.291 3.665 3.960 -0.006 0.000 0.221 620 G HA3 -0.291 3.665 3.960 -0.006 0.000 0.221 620 G C 1.555 176.376 174.900 -0.132 0.000 1.115 620 G CA 0.788 45.657 45.100 -0.384 0.000 0.751 620 G HN 0.705 nan 8.290 nan 0.000 0.567 621 A N -0.379 122.369 122.820 -0.120 0.000 2.186 621 A HA 0.214 4.530 4.320 -0.006 0.000 0.219 621 A C 1.492 178.793 177.584 -0.471 0.000 1.159 621 A CA 0.880 52.737 52.037 -0.299 0.000 0.680 621 A CB -0.344 18.391 19.000 -0.442 0.000 0.787 621 A HN 0.372 nan 8.150 nan 0.000 0.467 622 F N -2.948 117.065 119.950 0.106 0.000 2.724 622 F HA 0.311 4.834 4.527 -0.007 0.000 0.310 622 F C -0.267 175.955 175.800 0.703 0.000 1.107 622 F CA -1.067 57.112 58.000 0.298 0.000 1.218 622 F CB 0.235 39.181 39.000 -0.089 0.000 1.042 622 F HN 0.020 nan 8.300 nan 0.000 0.540 623 Y N 2.123 122.760 120.300 0.561 0.000 2.497 623 Y HA 0.151 4.697 4.550 -0.007 0.000 0.334 623 Y C -1.212 174.944 175.900 0.428 0.000 1.199 623 Y CA -3.056 55.305 58.100 0.436 0.000 1.425 623 Y CB -0.090 38.535 38.460 0.276 0.000 1.291 623 Y HN -0.098 nan 8.280 nan 0.000 0.562 624 P HA -0.200 nan 4.420 nan 0.000 0.215 624 P C -0.112 177.410 177.300 0.369 0.000 1.157 624 P CA 1.487 64.786 63.100 0.331 0.000 0.874 624 P CB 0.126 31.982 31.700 0.260 0.000 0.790 625 F N -0.100 119.974 119.950 0.206 0.000 2.388 625 F HA 0.534 5.057 4.527 -0.007 0.000 0.358 625 F C -0.194 175.726 175.800 0.201 0.000 1.122 625 F CA -1.144 56.931 58.000 0.125 0.000 1.056 625 F CB 0.978 40.019 39.000 0.068 0.000 1.155 625 F HN -0.332 nan 8.300 nan 0.000 0.461 626 S N 7.871 123.340 115.700 -0.386 0.000 2.601 626 S HA 0.522 4.989 4.470 -0.006 0.000 0.312 626 S C -0.849 173.502 174.600 -0.414 0.000 1.107 626 S CA -0.622 57.494 58.200 -0.141 0.000 1.129 626 S CB 0.026 63.329 63.200 0.172 0.000 0.982 626 S HN 0.881 nan 8.310 nan 0.000 0.469 627 R N 4.103 124.308 120.500 -0.492 0.000 2.533 627 R HA 0.325 4.661 4.340 -0.006 0.000 0.288 627 R C -1.499 174.625 176.300 -0.293 0.000 1.039 627 R CA -0.632 55.099 56.100 -0.616 0.000 0.909 627 R CB 0.971 30.787 30.300 -0.806 0.000 1.195 627 R HN 0.584 nan 8.270 nan 0.000 0.438 628 N N 2.828 121.357 118.700 -0.285 0.000 2.444 628 N HA 0.124 4.860 4.740 -0.006 0.000 0.271 628 N C -1.556 173.948 175.510 -0.009 0.000 1.069 628 N CA 0.132 53.146 53.050 -0.060 0.000 0.965 628 N CB 0.931 39.485 38.487 0.111 0.000 1.092 628 N HN 0.673 nan 8.380 nan 0.000 0.476 629 H N 2.104 121.125 119.070 -0.083 0.000 2.930 629 H HA 0.507 5.059 4.556 -0.007 0.000 0.371 629 H C -1.469 173.936 175.328 0.128 0.000 1.169 629 H CA -0.673 55.382 56.048 0.012 0.000 1.157 629 H CB 1.170 30.911 29.762 -0.035 0.000 1.789 629 H HN 0.538 nan 8.280 nan 0.000 0.547 630 N N 1.203 119.647 118.700 -0.428 0.000 2.329 630 N HA 0.315 5.051 4.740 -0.006 0.000 0.282 630 N C -1.276 173.912 175.510 -0.537 0.000 1.198 630 N CA -0.478 52.364 53.050 -0.347 0.000 0.790 630 N CB 2.605 40.923 38.487 -0.281 0.000 1.579 630 N HN 0.526 nan 8.380 nan 0.000 0.475 631 S N 0.308 115.518 115.700 -0.816 0.000 2.632 631 S HA 0.179 4.645 4.470 -0.006 0.000 0.267 631 S C -0.466 173.951 174.600 -0.306 0.000 1.276 631 S CA -0.406 57.334 58.200 -0.766 0.000 0.998 631 S CB 0.398 63.006 63.200 -0.987 0.000 0.953 631 S HN 0.565 nan 8.310 nan 0.000 0.547 632 D N 0.675 120.767 120.400 -0.515 0.000 2.493 632 D HA 0.357 4.993 4.640 -0.006 0.000 0.240 632 D C 1.280 177.168 176.300 -0.685 0.000 1.142 632 D CA 1.873 55.321 54.000 -0.920 0.000 0.872 632 D CB 0.140 39.839 40.800 -1.836 0.000 1.173 632 D HN 0.789 nan 8.370 nan 0.000 0.467 633 G N 2.482 110.922 108.800 -0.600 0.000 2.336 633 G HA2 -0.298 3.659 3.960 -0.006 0.000 0.233 633 G HA3 -0.298 3.659 3.960 -0.006 0.000 0.233 633 G C 0.155 174.725 174.900 -0.550 0.000 1.053 633 G CA 0.362 45.112 45.100 -0.584 0.000 0.625 633 G HN 0.533 nan 8.290 nan 0.000 0.511 634 Y N 1.756 121.863 120.300 -0.322 0.000 2.336 634 Y HA 0.541 5.087 4.550 -0.007 0.000 0.331 634 Y C 0.972 176.671 175.900 -0.336 0.000 1.211 634 Y CA -0.184 57.753 58.100 -0.271 0.000 1.346 634 Y CB 0.476 38.791 38.460 -0.242 0.000 1.271 634 Y HN 0.316 nan 8.280 nan 0.000 0.538 635 E N 1.327 121.452 120.200 -0.124 0.000 2.467 635 E HA -0.076 4.270 4.350 -0.006 0.000 0.264 635 E C -0.924 175.408 176.600 -0.446 0.000 1.020 635 E CA 0.089 56.326 56.400 -0.271 0.000 0.945 635 E CB 0.158 29.761 29.700 -0.160 0.000 0.942 635 E HN 0.519 nan 8.360 nan 0.000 0.449 636 H N 1.603 120.263 119.070 -0.684 0.000 3.016 636 H HA -0.011 4.541 4.556 -0.006 0.000 0.345 636 H C 0.384 175.273 175.328 -0.731 0.000 1.066 636 H CA 1.592 57.184 56.048 -0.759 0.000 1.390 636 H CB 0.498 29.670 29.762 -0.984 0.000 1.344 636 H HN 0.496 nan 8.280 nan 0.000 0.605 637 Q N 1.521 121.213 119.800 -0.180 0.000 2.057 637 Q HA 0.101 4.437 4.340 -0.006 0.000 0.216 637 Q C -0.899 175.268 176.000 0.278 0.000 0.788 637 Q CA -0.534 55.319 55.803 0.083 0.000 1.053 637 Q CB 0.458 29.254 28.738 0.097 0.000 1.210 637 Q HN 0.717 nan 8.270 nan 0.000 0.455 638 D N 0.689 121.213 120.400 0.206 0.000 2.362 638 D HA 0.084 4.720 4.640 -0.006 0.000 0.242 638 D C -1.801 174.716 176.300 0.361 0.000 1.132 638 D CA -1.342 52.801 54.000 0.238 0.000 0.907 638 D CB 1.598 42.494 40.800 0.159 0.000 1.195 638 D HN -0.176 nan 8.370 nan 0.000 0.429 639 P HA -0.167 nan 4.420 nan 0.000 0.215 639 P C 1.287 178.778 177.300 0.318 0.000 1.157 639 P CA 2.181 65.444 63.100 0.273 0.000 0.874 639 P CB -0.053 31.700 31.700 0.090 0.000 0.790 640 A N -1.833 121.103 122.820 0.193 0.000 2.168 640 A HA -0.113 4.203 4.320 -0.006 0.000 0.215 640 A C 1.881 179.548 177.584 0.139 0.000 1.152 640 A CA 0.591 52.709 52.037 0.134 0.000 0.716 640 A CB -1.781 17.258 19.000 0.064 0.000 0.794 640 A HN 0.190 nan 8.150 nan 0.000 0.465 641 F N -0.964 119.008 119.950 0.038 0.000 2.502 641 F HA 0.044 4.567 4.527 -0.006 0.000 0.298 641 F C 1.090 176.796 175.800 -0.157 0.000 1.111 641 F CA 0.785 58.725 58.000 -0.101 0.000 1.445 641 F CB -0.098 38.790 39.000 -0.188 0.000 1.081 641 F HN 0.212 nan 8.300 nan 0.000 0.558 642 F N 1.062 121.027 119.950 0.026 0.000 2.797 642 F HA 0.374 4.897 4.527 -0.007 0.000 0.302 642 F C 1.023 176.767 175.800 -0.094 0.000 1.130 642 F CA 0.683 58.665 58.000 -0.030 0.000 1.387 642 F CB -0.194 38.850 39.000 0.074 0.000 1.107 642 F HN 0.032 nan 8.300 nan 0.000 0.577 643 G N 0.274 109.080 108.800 0.010 0.000 2.841 643 G HA2 -0.124 3.832 3.960 -0.006 0.000 0.684 643 G HA3 -0.124 3.832 3.960 -0.006 0.000 0.684 643 G C 0.074 174.984 174.900 0.016 0.000 1.273 643 G CA -0.845 44.242 45.100 -0.021 0.000 0.811 643 G HN -0.088 nan 8.290 nan 0.000 0.631 644 Q N 0.498 120.294 119.800 -0.005 0.000 2.226 644 Q HA -0.074 4.262 4.340 -0.006 0.000 0.204 644 Q C 1.642 177.648 176.000 0.009 0.000 0.975 644 Q CA 1.763 57.569 55.803 0.005 0.000 0.866 644 Q CB 0.060 28.795 28.738 -0.004 0.000 0.915 644 Q HN 0.650 nan 8.270 nan 0.000 0.440 645 N N 0.039 118.743 118.700 0.007 0.000 2.275 645 N HA 0.013 4.749 4.740 -0.006 0.000 0.236 645 N C -0.621 174.899 175.510 0.016 0.000 1.154 645 N CA -0.109 52.946 53.050 0.008 0.000 0.866 645 N CB 0.807 39.296 38.487 0.003 0.000 1.093 645 N HN 0.051 nan 8.380 nan 0.000 0.515 646 S N -0.314 115.403 115.700 0.029 0.000 2.592 646 S HA 0.126 4.592 4.470 -0.006 0.000 0.271 646 S C 1.156 175.772 174.600 0.028 0.000 1.326 646 S CA -0.710 57.514 58.200 0.042 0.000 1.024 646 S CB 1.111 64.361 63.200 0.084 0.000 0.921 646 S HN 0.115 nan 8.310 nan 0.000 0.527 647 L N 2.095 123.333 121.223 0.025 0.000 2.131 647 L HA 0.058 4.394 4.340 -0.006 0.000 0.210 647 L C 2.070 178.940 176.870 0.000 0.000 1.092 647 L CA 1.446 56.294 54.840 0.014 0.000 0.759 647 L CB -0.999 41.072 42.059 0.019 0.000 0.903 647 L HN 0.926 nan 8.230 nan 0.000 0.435 648 L N -1.825 119.386 121.223 -0.020 0.000 2.046 648 L HA -0.195 4.141 4.340 -0.006 0.000 0.208 648 L C 2.293 179.142 176.870 -0.035 0.000 1.077 648 L CA 1.378 56.173 54.840 -0.074 0.000 0.747 648 L CB -0.196 41.732 42.059 -0.217 0.000 0.896 648 L HN 0.087 nan 8.230 nan 0.000 0.432 649 V N 0.362 120.279 119.914 0.004 0.000 2.358 649 V HA -0.271 3.845 4.120 -0.006 0.000 0.246 649 V C 3.115 179.204 176.094 -0.008 0.000 1.047 649 V CA 2.201 64.506 62.300 0.009 0.000 1.035 649 V CB -0.902 30.940 31.823 0.033 0.000 0.658 649 V HN 0.611 nan 8.190 nan 0.000 0.452 650 K N -0.238 120.159 120.400 -0.005 0.000 2.032 650 K HA -0.258 4.058 4.320 -0.006 0.000 0.209 650 K C 2.449 179.034 176.600 -0.024 0.000 1.048 650 K CA 2.178 58.455 56.287 -0.017 0.000 0.927 650 K CB -1.327 31.167 32.500 -0.010 0.000 0.712 650 K HN 0.497 nan 8.250 nan 0.000 0.441 651 S N 0.278 115.982 115.700 0.007 0.000 2.343 651 S HA -0.151 4.316 4.470 -0.006 0.000 0.219 651 S C 2.409 177.064 174.600 0.091 0.000 1.033 651 S CA 1.980 60.221 58.200 0.069 0.000 1.014 651 S CB -0.535 62.728 63.200 0.104 0.000 0.915 651 S HN 0.616 nan 8.310 nan 0.000 0.435 652 S N 1.352 117.069 115.700 0.028 0.000 2.365 652 S HA -0.157 4.309 4.470 -0.006 0.000 0.225 652 S C 1.966 176.525 174.600 -0.068 0.000 1.039 652 S CA 1.579 59.762 58.200 -0.029 0.000 1.033 652 S CB -0.558 62.587 63.200 -0.093 0.000 0.887 652 S HN 0.592 nan 8.310 nan 0.000 0.447 653 R N 1.039 121.498 120.500 -0.069 0.000 2.073 653 R HA -0.110 4.226 4.340 -0.006 0.000 0.234 653 R C 2.580 178.822 176.300 -0.098 0.000 1.134 653 R CA 1.521 57.571 56.100 -0.083 0.000 0.952 653 R CB -0.319 29.945 30.300 -0.061 0.000 0.850 653 R HN 0.437 nan 8.270 nan 0.000 0.433 654 Q N -0.652 119.068 119.800 -0.133 0.000 2.096 654 Q HA -0.220 4.117 4.340 -0.006 0.000 0.204 654 Q C 1.549 177.363 176.000 -0.309 0.000 0.982 654 Q CA 1.920 57.571 55.803 -0.254 0.000 0.850 654 Q CB -0.049 28.450 28.738 -0.398 0.000 0.901 654 Q HN 0.528 nan 8.270 nan 0.000 0.422 655 Y N -0.398 119.887 120.300 -0.026 0.000 2.397 655 Y HA -0.033 4.513 4.550 -0.006 0.000 0.292 655 Y C 2.102 177.917 175.900 -0.143 0.000 1.115 655 Y CA 0.249 58.330 58.100 -0.033 0.000 1.208 655 Y CB 0.226 38.697 38.460 0.018 0.000 1.046 655 Y HN 0.065 nan 8.280 nan 0.000 0.552 656 L N -0.770 120.441 121.223 -0.020 0.000 2.093 656 L HA -0.211 4.126 4.340 -0.006 0.000 0.208 656 L C 2.213 179.130 176.870 0.078 0.000 1.085 656 L CA 1.461 56.278 54.840 -0.037 0.000 0.755 656 L CB -0.708 41.257 42.059 -0.156 0.000 0.904 656 L HN 0.221 nan 8.230 nan 0.000 0.435 657 T N 0.161 114.718 114.554 0.004 0.000 2.746 657 T HA -0.166 4.180 4.350 -0.006 0.000 0.267 657 T C 1.916 176.689 174.700 0.121 0.000 1.039 657 T CA 1.295 63.419 62.100 0.040 0.000 1.142 657 T CB -0.177 68.680 68.868 -0.018 0.000 0.866 657 T HN 0.175 nan 8.240 nan 0.000 0.444 658 I N 0.704 121.324 120.570 0.084 0.000 2.163 658 I HA -0.225 3.941 4.170 -0.006 0.000 0.243 658 I C 2.821 179.008 176.117 0.117 0.000 1.085 658 I CA 1.356 62.733 61.300 0.128 0.000 1.347 658 I CB -0.331 37.761 38.000 0.152 0.000 1.044 658 I HN 0.164 nan 8.210 nan 0.000 0.408 659 R N 0.346 120.853 120.500 0.011 0.000 2.103 659 R HA -0.265 4.071 4.340 -0.006 0.000 0.234 659 R C 2.489 178.926 176.300 0.229 0.000 1.132 659 R CA 2.259 58.374 56.100 0.024 0.000 0.925 659 R CB -0.628 29.630 30.300 -0.071 0.000 0.842 659 R HN 0.219 nan 8.270 nan 0.000 0.430 660 Y N 0.934 121.302 120.300 0.113 0.000 2.207 660 Y HA -0.194 4.352 4.550 -0.007 0.000 0.287 660 Y C 2.650 178.681 175.900 0.219 0.000 1.156 660 Y CA 2.019 60.219 58.100 0.166 0.000 1.182 660 Y CB -0.581 37.962 38.460 0.138 0.000 0.979 660 Y HN 0.224 nan 8.280 nan 0.000 0.521 661 T N 0.010 114.771 114.554 0.345 0.000 2.788 661 T HA -0.167 4.179 4.350 -0.006 0.000 0.268 661 T C 1.744 176.651 174.700 0.346 0.000 1.044 661 T CA 1.326 63.608 62.100 0.304 0.000 1.139 661 T CB -0.443 68.586 68.868 0.269 0.000 0.867 661 T HN 0.262 nan 8.240 nan 0.000 0.454 662 L N 0.342 121.796 121.223 0.384 0.000 2.591 662 L HA 0.259 4.595 4.340 -0.006 0.000 0.228 662 L C 1.985 179.197 176.870 0.569 0.000 1.133 662 L CA -0.010 55.142 54.840 0.519 0.000 0.880 662 L CB -0.452 41.969 42.059 0.602 0.000 1.033 662 L HN 0.220 nan 8.230 nan 0.000 0.450 663 L N 0.456 121.926 121.223 0.411 0.000 2.042 663 L HA -0.176 4.160 4.340 -0.006 0.000 0.210 663 L C -0.169 176.978 176.870 0.461 0.000 1.076 663 L CA 1.614 56.618 54.840 0.274 0.000 0.749 663 L CB -1.494 40.579 42.059 0.022 0.000 0.893 663 L HN 0.258 nan 8.230 nan 0.000 0.432 664 P HA -0.238 nan 4.420 nan 0.000 0.216 664 P C 1.487 179.313 177.300 0.876 0.000 1.153 664 P CA 1.406 65.057 63.100 0.917 0.000 0.858 664 P CB -0.081 32.100 31.700 0.802 0.000 0.789 665 F N 0.468 120.760 119.950 0.569 0.000 2.075 665 F HA -0.150 4.373 4.527 -0.006 0.000 0.297 665 F C 2.008 178.053 175.800 0.409 0.000 1.113 665 F CA 1.130 59.432 58.000 0.503 0.000 1.218 665 F CB -1.308 37.970 39.000 0.464 0.000 0.984 665 F HN -0.241 nan 8.300 nan 0.000 0.472 666 L N -0.131 121.142 121.223 0.083 0.000 1.990 666 L HA -0.262 4.074 4.340 -0.006 0.000 0.213 666 L C 2.321 179.227 176.870 0.061 0.000 1.072 666 L CA 2.157 56.839 54.840 -0.263 0.000 0.755 666 L CB -1.591 40.274 42.059 -0.324 0.000 0.889 666 L HN 0.342 nan 8.230 nan 0.000 0.432 667 Y N 0.103 120.483 120.300 0.133 0.000 2.207 667 Y HA -0.282 4.264 4.550 -0.007 0.000 0.287 667 Y C 2.470 178.540 175.900 0.284 0.000 1.156 667 Y CA 2.293 60.527 58.100 0.223 0.000 1.182 667 Y CB -0.715 37.922 38.460 0.294 0.000 0.979 667 Y HN 0.269 nan 8.280 nan 0.000 0.521 668 T N 0.838 115.634 114.554 0.404 0.000 2.788 668 T HA -0.171 4.175 4.350 -0.006 0.000 0.268 668 T C 2.033 176.830 174.700 0.161 0.000 1.044 668 T CA 1.668 63.974 62.100 0.343 0.000 1.139 668 T CB -0.472 68.721 68.868 0.543 0.000 0.867 668 T HN 0.302 nan 8.240 nan 0.000 0.454 669 L N -0.432 120.780 121.223 -0.018 0.000 2.083 669 L HA -0.015 4.321 4.340 -0.006 0.000 0.209 669 L C 2.242 178.964 176.870 -0.247 0.000 1.083 669 L CA 1.209 55.940 54.840 -0.181 0.000 0.752 669 L CB -0.629 41.175 42.059 -0.425 0.000 0.899 669 L HN 0.186 nan 8.230 nan 0.000 0.433 670 F N -0.837 118.981 119.950 -0.221 0.000 2.234 670 F HA -0.250 4.273 4.527 -0.007 0.000 0.299 670 F C 2.553 178.158 175.800 -0.324 0.000 1.087 670 F CA 1.441 59.282 58.000 -0.266 0.000 1.340 670 F CB -0.606 38.217 39.000 -0.296 0.000 1.031 670 F HN 0.040 nan 8.300 nan 0.000 0.500 671 Y N 0.952 121.027 120.300 -0.375 0.000 2.181 671 Y HA -0.204 4.342 4.550 -0.006 0.000 0.288 671 Y C 2.187 177.860 175.900 -0.378 0.000 1.146 671 Y CA 1.739 59.465 58.100 -0.622 0.000 1.164 671 Y CB -0.541 37.262 38.460 -1.096 0.000 0.982 671 Y HN -0.093 nan 8.280 nan 0.000 0.515 672 K N 0.183 120.357 120.400 -0.376 0.000 2.148 672 K HA -0.083 4.233 4.320 -0.006 0.000 0.204 672 K C 2.338 178.784 176.600 -0.257 0.000 1.050 672 K CA 0.987 57.093 56.287 -0.301 0.000 0.942 672 K CB -0.320 32.214 32.500 0.055 0.000 0.724 672 K HN 0.451 nan 8.250 nan 0.000 0.446 673 A N 0.520 123.202 122.820 -0.229 0.000 1.858 673 A HA -0.236 4.080 4.320 -0.006 0.000 0.216 673 A C 1.959 179.415 177.584 -0.214 0.000 1.190 673 A CA 1.923 53.846 52.037 -0.189 0.000 0.617 673 A CB -0.862 18.021 19.000 -0.195 0.000 0.827 673 A HN 0.446 nan 8.150 nan 0.000 0.443 674 H N -0.776 118.095 119.070 -0.333 0.000 2.387 674 H HA -0.065 4.487 4.556 -0.007 0.000 0.299 674 H C 1.686 176.741 175.328 -0.454 0.000 1.090 674 H CA 2.063 57.901 56.048 -0.350 0.000 1.332 674 H CB 0.010 29.567 29.762 -0.342 0.000 1.386 674 H HN 0.155 nan 8.280 nan 0.000 0.516 675 V N -0.861 118.636 119.914 -0.694 0.000 2.374 675 V HA -0.062 4.054 4.120 -0.006 0.000 0.241 675 V C 1.558 177.149 176.094 -0.839 0.000 1.034 675 V CA 1.662 63.393 62.300 -0.949 0.000 1.037 675 V CB -0.359 30.594 31.823 -1.450 0.000 0.682 675 V HN 0.383 nan 8.190 nan 0.000 0.463 676 F N 0.064 119.822 119.950 -0.320 0.000 2.731 676 F HA 0.481 5.004 4.527 -0.007 0.000 0.298 676 F C 1.796 177.483 175.800 -0.189 0.000 1.106 676 F CA 0.678 58.549 58.000 -0.216 0.000 1.329 676 F CB 0.311 39.208 39.000 -0.171 0.000 1.100 676 F HN 0.274 nan 8.300 nan 0.000 0.592 677 G N 1.069 109.816 108.800 -0.088 0.000 2.136 677 G HA2 -0.264 3.692 3.960 -0.006 0.000 0.242 677 G HA3 -0.264 3.692 3.960 -0.006 0.000 0.242 677 G C -0.001 174.872 174.900 -0.046 0.000 0.989 677 G CA -0.215 44.825 45.100 -0.100 0.000 0.682 677 G HN 0.368 nan 8.290 nan 0.000 0.522 678 E N 0.792 120.982 120.200 -0.017 0.000 2.409 678 E HA 0.441 4.787 4.350 -0.006 0.000 0.257 678 E C 1.133 177.702 176.600 -0.053 0.000 1.150 678 E CA 0.601 56.998 56.400 -0.005 0.000 0.942 678 E CB 0.388 30.099 29.700 0.018 0.000 0.979 678 E HN 0.420 nan 8.360 nan 0.000 0.447 679 T N -1.646 112.891 114.554 -0.028 0.000 2.909 679 T HA 0.248 4.595 4.350 -0.006 0.000 0.286 679 T C 0.823 175.425 174.700 -0.164 0.000 1.002 679 T CA -0.970 61.083 62.100 -0.079 0.000 1.074 679 T CB 1.357 70.201 68.868 -0.040 0.000 0.984 679 T HN 0.165 nan 8.240 nan 0.000 0.495 680 V N 1.144 120.893 119.914 -0.274 0.000 2.423 680 V HA 0.320 4.436 4.120 -0.006 0.000 0.233 680 V C 1.724 177.682 176.094 -0.227 0.000 1.067 680 V CA 0.851 62.895 62.300 -0.426 0.000 1.073 680 V CB -0.897 30.402 31.823 -0.874 0.000 0.715 680 V HN 1.112 nan 8.190 nan 0.000 0.485 681 A N 2.738 125.484 122.820 -0.124 0.000 2.376 681 A HA 0.486 4.802 4.320 -0.006 0.000 0.298 681 A C 0.416 178.028 177.584 0.047 0.000 1.271 681 A CA -0.191 51.927 52.037 0.136 0.000 0.926 681 A CB -0.463 18.644 19.000 0.178 0.000 1.141 681 A HN 0.605 nan 8.150 nan 0.000 0.539 682 R N 3.151 123.705 120.500 0.090 0.000 2.668 682 R HA 0.728 5.064 4.340 -0.006 0.000 0.279 682 R C -3.023 173.244 176.300 -0.054 0.000 0.976 682 R CA -1.933 54.114 56.100 -0.088 0.000 0.978 682 R CB 1.553 31.796 30.300 -0.094 0.000 1.133 682 R HN 0.342 nan 8.270 nan 0.000 0.484 683 P HA 0.002 nan 4.420 nan 0.000 0.274 683 P C 0.845 178.203 177.300 0.096 0.000 1.237 683 P CA -0.513 62.507 63.100 -0.133 0.000 0.793 683 P CB 0.937 32.465 31.700 -0.286 0.000 0.977 684 V N 1.829 121.872 119.914 0.215 0.000 2.594 684 V HA -0.230 3.886 4.120 -0.006 0.000 0.253 684 V C 2.334 178.706 176.094 0.462 0.000 1.069 684 V CA 2.116 64.649 62.300 0.388 0.000 1.082 684 V CB -1.422 30.628 31.823 0.378 0.000 0.680 684 V HN 0.552 nan 8.190 nan 0.000 0.469 685 L N -2.192 119.260 121.223 0.383 0.000 2.291 685 L HA -0.068 4.269 4.340 -0.006 0.000 0.214 685 L C 2.307 179.433 176.870 0.427 0.000 1.120 685 L CA 1.706 56.791 54.840 0.408 0.000 0.799 685 L CB -1.168 41.059 42.059 0.279 0.000 0.925 685 L HN 0.317 nan 8.230 nan 0.000 0.446 686 H N 0.153 119.334 119.070 0.185 0.000 2.421 686 H HA -0.053 4.499 4.556 -0.007 0.000 0.298 686 H C 1.511 176.961 175.328 0.204 0.000 1.087 686 H CA 1.386 57.532 56.048 0.164 0.000 1.330 686 H CB 0.437 30.250 29.762 0.085 0.000 1.388 686 H HN 0.513 nan 8.280 nan 0.000 0.526 687 E N 0.079 120.371 120.200 0.153 0.000 2.307 687 E HA 0.013 4.359 4.350 -0.006 0.000 0.195 687 E C 0.115 176.297 176.600 -0.696 0.000 0.975 687 E CA 0.358 56.564 56.400 -0.325 0.000 0.878 687 E CB 0.361 29.670 29.700 -0.651 0.000 0.845 687 E HN 0.340 nan 8.360 nan 0.000 0.488 688 F N 0.685 120.687 119.950 0.087 0.000 2.879 688 F HA 0.145 4.668 4.527 -0.007 0.000 0.354 688 F C 0.795 176.632 175.800 0.061 0.000 1.291 688 F CA -0.883 57.125 58.000 0.014 0.000 1.238 688 F CB -0.373 38.744 39.000 0.194 0.000 1.005 688 F HN -0.040 nan 8.300 nan 0.000 0.508 689 Y N -1.061 119.438 120.300 0.332 0.000 2.421 689 Y HA -0.039 4.507 4.550 -0.007 0.000 0.292 689 Y C 1.405 177.573 175.900 0.446 0.000 1.136 689 Y CA 0.616 58.962 58.100 0.410 0.000 1.255 689 Y CB -0.985 37.598 38.460 0.205 0.000 0.991 689 Y HN 0.092 nan 8.280 nan 0.000 0.552 690 E N 0.327 120.613 120.200 0.143 0.000 2.333 690 E HA -0.111 4.235 4.350 -0.006 0.000 0.198 690 E C -0.047 176.630 176.600 0.127 0.000 1.007 690 E CA 1.178 57.686 56.400 0.181 0.000 0.845 690 E CB -0.133 29.604 29.700 0.060 0.000 0.766 690 E HN 0.378 nan 8.360 nan 0.000 0.507 691 D N -0.246 120.234 120.400 0.133 0.000 2.381 691 D HA 0.045 4.681 4.640 -0.006 0.000 0.235 691 D C 0.577 176.742 176.300 -0.226 0.000 1.068 691 D CA -0.249 53.758 54.000 0.013 0.000 0.832 691 D CB 1.149 42.037 40.800 0.147 0.000 1.101 691 D HN 0.006 nan 8.370 nan 0.000 0.515 692 T N 1.021 115.232 114.554 -0.571 0.000 3.155 692 T HA -0.074 4.273 4.350 -0.006 0.000 0.264 692 T C 1.118 175.428 174.700 -0.651 0.000 1.160 692 T CA 0.438 61.809 62.100 -1.215 0.000 1.075 692 T CB -0.016 68.096 68.868 -1.259 0.000 0.921 692 T HN 0.236 nan 8.240 nan 0.000 0.533 693 N N 1.940 120.396 118.700 -0.407 0.000 2.354 693 N HA -0.036 4.700 4.740 -0.006 0.000 0.179 693 N C 2.163 177.386 175.510 -0.480 0.000 1.021 693 N CA 1.335 54.105 53.050 -0.466 0.000 0.887 693 N CB -0.216 37.876 38.487 -0.659 0.000 0.974 693 N HN 0.730 nan 8.380 nan 0.000 0.437 694 S N -0.532 115.035 115.700 -0.222 0.000 2.453 694 S HA -0.068 4.398 4.470 -0.006 0.000 0.231 694 S C 1.560 176.359 174.600 0.331 0.000 1.005 694 S CA 0.191 58.451 58.200 0.100 0.000 0.949 694 S CB -0.448 62.986 63.200 0.390 0.000 0.774 694 S HN 0.273 nan 8.310 nan 0.000 0.510 695 W N 2.715 124.038 121.300 0.039 0.000 2.374 695 W HA 0.145 4.801 4.660 -0.007 0.000 0.288 695 W C 2.159 178.857 176.519 0.298 0.000 1.218 695 W CA 0.324 57.746 57.345 0.129 0.000 1.245 695 W CB -0.705 28.682 29.460 -0.121 0.000 1.126 695 W HN 0.577 nan 8.180 nan 0.000 0.545 696 I N -2.558 118.259 120.570 0.412 0.000 3.941 696 I HA 0.228 4.394 4.170 -0.006 0.000 0.321 696 I C 0.520 176.796 176.117 0.266 0.000 1.284 696 I CA -0.078 61.427 61.300 0.343 0.000 1.226 696 I CB -0.301 37.843 38.000 0.240 0.000 1.045 696 I HN -0.352 nan 8.210 nan 0.000 0.420 697 E N 3.479 123.807 120.200 0.213 0.000 2.324 697 E HA 0.036 4.383 4.350 -0.006 0.000 0.271 697 E C -0.439 176.287 176.600 0.210 0.000 1.028 697 E CA 0.389 56.889 56.400 0.166 0.000 0.890 697 E CB 0.458 30.234 29.700 0.127 0.000 1.004 697 E HN 0.587 nan 8.360 nan 0.000 0.431 698 D N 1.097 121.601 120.400 0.173 0.000 2.704 698 D HA -0.024 4.612 4.640 -0.006 0.000 0.291 698 D C 0.100 176.475 176.300 0.126 0.000 1.610 698 D CA 0.065 54.150 54.000 0.141 0.000 0.807 698 D CB -0.575 40.348 40.800 0.205 0.000 1.233 698 D HN 0.326 nan 8.370 nan 0.000 0.445 699 T N -1.883 112.744 114.554 0.122 0.000 3.092 699 T HA 0.305 4.651 4.350 -0.006 0.000 0.258 699 T C 0.268 175.037 174.700 0.116 0.000 1.031 699 T CA -0.287 61.878 62.100 0.109 0.000 0.925 699 T CB 0.072 68.986 68.868 0.077 0.000 1.036 699 T HN 0.378 nan 8.240 nan 0.000 0.544 700 E N 0.735 121.024 120.200 0.147 0.000 2.412 700 E HA 0.647 4.993 4.350 -0.006 0.000 0.279 700 E C -1.190 175.566 176.600 0.260 0.000 0.984 700 E CA -1.406 55.081 56.400 0.145 0.000 0.788 700 E CB 1.543 31.234 29.700 -0.016 0.000 1.277 700 E HN 0.312 nan 8.360 nan 0.000 0.455 701 F N -0.727 119.222 119.950 -0.001 0.000 2.824 701 F HA 0.772 5.295 4.527 -0.006 0.000 0.330 701 F C -1.772 174.074 175.800 0.078 0.000 1.175 701 F CA -1.493 56.527 58.000 0.034 0.000 0.974 701 F CB 1.113 40.135 39.000 0.037 0.000 1.430 701 F HN 0.321 nan 8.300 nan 0.000 0.507 702 L N 0.664 122.029 121.223 0.236 0.000 2.354 702 L HA 0.404 4.740 4.340 -0.006 0.000 0.269 702 L C -1.533 175.608 176.870 0.452 0.000 1.005 702 L CA -0.597 54.370 54.840 0.211 0.000 0.819 702 L CB 1.698 43.923 42.059 0.276 0.000 1.311 702 L HN 0.541 nan 8.230 nan 0.000 0.423 703 W N 2.639 124.026 121.300 0.146 0.000 2.387 703 W HA 0.532 5.188 4.660 -0.007 0.000 0.310 703 W C 0.963 177.579 176.519 0.162 0.000 1.181 703 W CA 0.099 57.539 57.345 0.158 0.000 1.333 703 W CB 0.232 29.823 29.460 0.219 0.000 1.286 703 W HN 0.803 nan 8.180 nan 0.000 0.455 704 G N 5.742 114.667 108.800 0.209 0.000 2.594 704 G HA2 -0.303 3.653 3.960 -0.006 0.000 0.297 704 G HA3 -0.303 3.653 3.960 -0.006 0.000 0.297 704 G C -1.309 173.700 174.900 0.181 0.000 1.273 704 G CA 0.341 45.532 45.100 0.152 0.000 0.974 704 G HN 0.351 nan 8.290 nan 0.000 0.552 705 P HA 0.247 nan 4.420 nan 0.000 0.239 705 P C 1.317 178.488 177.300 -0.215 0.000 1.188 705 P CA 2.262 65.304 63.100 -0.097 0.000 0.794 705 P CB 0.270 31.816 31.700 -0.257 0.000 0.937 706 A N -0.632 122.148 122.820 -0.067 0.000 1.993 706 A HA 0.235 4.551 4.320 -0.006 0.000 0.207 706 A C 0.932 178.635 177.584 0.198 0.000 1.224 706 A CA 0.283 52.243 52.037 -0.128 0.000 0.749 706 A CB -0.616 18.273 19.000 -0.186 0.000 0.884 706 A HN 0.202 nan 8.150 nan 0.000 0.467 707 L N 0.607 122.024 121.223 0.324 0.000 2.282 707 L HA 0.643 4.979 4.340 -0.006 0.000 0.288 707 L C -0.919 176.052 176.870 0.169 0.000 1.033 707 L CA -0.643 54.355 54.840 0.263 0.000 0.807 707 L CB 1.551 43.754 42.059 0.240 0.000 1.209 707 L HN 0.251 nan 8.230 nan 0.000 0.423 708 L N 6.503 127.803 121.223 0.130 0.000 2.282 708 L HA 0.601 4.937 4.340 -0.006 0.000 0.288 708 L C -0.958 175.716 176.870 -0.328 0.000 1.033 708 L CA 0.107 54.886 54.840 -0.101 0.000 0.807 708 L CB 1.118 43.004 42.059 -0.288 0.000 1.209 708 L HN 0.552 nan 8.230 nan 0.000 0.423 709 I N 4.429 124.669 120.570 -0.551 0.000 2.355 709 I HA 0.364 4.530 4.170 -0.006 0.000 0.288 709 I C -0.433 175.378 176.117 -0.510 0.000 0.999 709 I CA -0.069 60.787 61.300 -0.740 0.000 1.163 709 I CB 1.661 38.929 38.000 -1.220 0.000 1.316 709 I HN 0.553 nan 8.210 nan 0.000 0.454 710 T N 7.061 121.406 114.554 -0.349 0.000 2.912 710 T HA 0.400 4.746 4.350 -0.006 0.000 0.326 710 T C -2.568 172.025 174.700 -0.178 0.000 1.080 710 T CA -1.378 60.598 62.100 -0.207 0.000 1.000 710 T CB 0.912 69.683 68.868 -0.160 0.000 1.008 710 T HN 0.272 nan 8.240 nan 0.000 0.473 711 P HA 0.436 nan 4.420 nan 0.000 0.282 711 P C -0.489 176.775 177.300 -0.060 0.000 1.259 711 P CA -0.631 62.409 63.100 -0.100 0.000 0.826 711 P CB 1.093 32.766 31.700 -0.045 0.000 1.064 712 V N 3.094 122.979 119.914 -0.047 0.000 2.488 712 V HA 0.121 4.237 4.120 -0.006 0.000 0.277 712 V C 1.300 177.441 176.094 0.079 0.000 1.046 712 V CA 0.316 62.621 62.300 0.008 0.000 0.986 712 V CB 0.284 32.120 31.823 0.022 0.000 0.989 712 V HN 0.458 nan 8.190 nan 0.000 0.475 713 L N 4.095 125.373 121.223 0.091 0.000 3.217 713 L HA 0.351 4.687 4.340 -0.006 0.000 0.288 713 L C 0.282 177.256 176.870 0.175 0.000 1.202 713 L CA -0.022 54.899 54.840 0.134 0.000 1.027 713 L CB 0.347 42.425 42.059 0.032 0.000 1.427 713 L HN 0.458 nan 8.230 nan 0.000 0.600 714 K N 1.211 121.618 120.400 0.013 0.000 2.259 714 K HA 0.335 4.651 4.320 -0.006 0.000 0.252 714 K C -0.483 175.658 176.600 -0.766 0.000 0.936 714 K CA -0.543 55.595 56.287 -0.248 0.000 0.810 714 K CB 2.183 34.574 32.500 -0.181 0.000 1.143 714 K HN -0.151 nan 8.250 nan 0.000 0.427 715 Q N 0.423 119.455 119.800 -1.281 0.000 2.337 715 Q HA 0.110 4.446 4.340 -0.006 0.000 0.270 715 Q C 0.680 176.229 176.000 -0.752 0.000 1.002 715 Q CA 1.559 56.308 55.803 -1.756 0.000 0.888 715 Q CB 0.526 28.364 28.738 -1.500 0.000 1.222 715 Q HN 0.883 nan 8.270 nan 0.000 0.400 716 G N 2.682 111.174 108.800 -0.514 0.000 2.245 716 G HA2 -0.345 3.611 3.960 -0.006 0.000 0.264 716 G HA3 -0.345 3.611 3.960 -0.006 0.000 0.264 716 G C 0.293 175.101 174.900 -0.153 0.000 0.985 716 G CA 0.347 45.312 45.100 -0.224 0.000 0.625 716 G HN 0.992 nan 8.290 nan 0.000 0.536 717 A N -0.009 122.696 122.820 -0.191 0.000 2.462 717 A HA 0.533 4.849 4.320 -0.006 0.000 0.243 717 A C 0.999 178.552 177.584 -0.053 0.000 1.076 717 A CA 1.259 53.232 52.037 -0.107 0.000 0.773 717 A CB 0.404 19.335 19.000 -0.116 0.000 1.010 717 A HN 0.338 nan 8.150 nan 0.000 0.493 718 D N -0.247 120.142 120.400 -0.018 0.000 2.454 718 D HA 0.170 4.806 4.640 -0.006 0.000 0.214 718 D C 0.145 176.449 176.300 0.008 0.000 1.088 718 D CA 0.981 54.988 54.000 0.011 0.000 0.855 718 D CB 0.563 41.428 40.800 0.108 0.000 1.025 718 D HN 0.467 nan 8.370 nan 0.000 0.502 719 T N -0.556 114.011 114.554 0.021 0.000 2.900 719 T HA 0.560 4.906 4.350 -0.006 0.000 0.303 719 T C -1.886 172.805 174.700 -0.015 0.000 1.142 719 T CA -0.636 61.488 62.100 0.040 0.000 1.007 719 T CB 1.887 70.811 68.868 0.092 0.000 1.156 719 T HN -0.222 nan 8.240 nan 0.000 0.490 720 V N 2.314 122.209 119.914 -0.032 0.000 2.733 720 V HA 0.735 4.851 4.120 -0.006 0.000 0.306 720 V C -0.368 175.680 176.094 -0.077 0.000 1.084 720 V CA -0.530 61.739 62.300 -0.053 0.000 0.905 720 V CB 2.158 33.946 31.823 -0.058 0.000 1.010 720 V HN 0.856 nan 8.190 nan 0.000 0.424 721 S N 5.338 120.997 115.700 -0.068 0.000 2.430 721 S HA 0.720 5.186 4.470 -0.006 0.000 0.282 721 S C 0.056 174.600 174.600 -0.094 0.000 1.186 721 S CA 0.295 58.444 58.200 -0.085 0.000 1.060 721 S CB -0.139 63.028 63.200 -0.055 0.000 0.966 721 S HN 1.662 nan 8.310 nan 0.000 0.501 722 A N 4.991 127.716 122.820 -0.159 0.000 2.355 722 A HA 0.558 4.874 4.320 -0.006 0.000 0.317 722 A C -1.174 176.301 177.584 -0.181 0.000 1.094 722 A CA -0.663 51.272 52.037 -0.169 0.000 0.764 722 A CB 0.761 19.611 19.000 -0.249 0.000 1.230 722 A HN 0.899 nan 8.150 nan 0.000 0.448 723 Y N 3.653 123.823 120.300 -0.217 0.000 2.504 723 Y HA 0.498 5.045 4.550 -0.006 0.000 0.351 723 Y C -0.143 175.575 175.900 -0.304 0.000 0.988 723 Y CA -1.100 56.870 58.100 -0.218 0.000 1.239 723 Y CB 0.426 38.810 38.460 -0.127 0.000 1.128 723 Y HN 0.654 nan 8.280 nan 0.000 0.525 724 I N 8.552 128.596 120.570 -0.878 0.000 2.315 724 I HA 0.607 4.773 4.170 -0.006 0.000 0.291 724 I C -2.858 172.618 176.117 -1.068 0.000 1.006 724 I CA -2.647 58.083 61.300 -0.951 0.000 1.265 724 I CB 1.096 38.639 38.000 -0.762 0.000 1.387 724 I HN 0.364 nan 8.210 nan 0.000 0.475 725 P HA 0.125 nan 4.420 nan 0.000 0.286 725 P C -0.916 176.217 177.300 -0.277 0.000 1.293 725 P CA -0.194 62.443 63.100 -0.771 0.000 0.770 725 P CB 0.375 31.369 31.700 -1.177 0.000 1.206 726 D N -0.666 119.616 120.400 -0.197 0.000 2.608 726 D HA 0.442 5.078 4.640 -0.006 0.000 0.224 726 D C -0.645 175.715 176.300 0.100 0.000 1.123 726 D CA 0.127 54.144 54.000 0.028 0.000 1.030 726 D CB -1.221 39.645 40.800 0.110 0.000 1.093 726 D HN 0.373 nan 8.370 nan 0.000 0.497 727 A N 2.050 124.888 122.820 0.030 0.000 2.515 727 A HA 0.572 4.888 4.320 -0.006 0.000 0.299 727 A C -0.932 176.446 177.584 -0.345 0.000 1.179 727 A CA -0.757 51.183 52.037 -0.161 0.000 0.656 727 A CB 0.726 19.548 19.000 -0.297 0.000 1.306 727 A HN 0.260 nan 8.150 nan 0.000 0.459 728 I N 0.443 120.750 120.570 -0.439 0.000 2.365 728 I HA 0.311 4.477 4.170 -0.006 0.000 0.291 728 I C -1.114 174.594 176.117 -0.682 0.000 1.004 728 I CA 0.111 61.159 61.300 -0.419 0.000 1.311 728 I CB 0.800 38.630 38.000 -0.284 0.000 1.401 728 I HN 0.609 nan 8.210 nan 0.000 0.491 729 W N 5.596 126.725 121.300 -0.285 0.000 2.666 729 W HA 0.514 5.170 4.660 -0.006 0.000 0.334 729 W C -0.941 175.357 176.519 -0.367 0.000 1.051 729 W CA -0.495 56.732 57.345 -0.197 0.000 1.224 729 W CB 1.086 30.469 29.460 -0.129 0.000 1.405 729 W HN 0.221 nan 8.180 nan 0.000 0.513 730 Y N 1.017 121.524 120.300 0.345 0.000 2.393 730 Y HA 0.215 4.761 4.550 -0.006 0.000 0.341 730 Y C 0.142 176.215 175.900 0.289 0.000 0.988 730 Y CA -1.199 57.032 58.100 0.218 0.000 1.078 730 Y CB 1.306 39.827 38.460 0.101 0.000 1.203 730 Y HN 0.312 nan 8.280 nan 0.000 0.453 731 D N 1.336 121.920 120.400 0.306 0.000 2.450 731 D HA -0.094 4.542 4.640 -0.006 0.000 0.247 731 D C 0.626 176.975 176.300 0.081 0.000 1.162 731 D CA 0.458 54.516 54.000 0.096 0.000 0.879 731 D CB 0.486 41.306 40.800 0.032 0.000 1.163 731 D HN 0.568 nan 8.370 nan 0.000 0.472 732 Y N 3.482 123.741 120.300 -0.068 0.000 2.145 732 Y HA -0.170 4.376 4.550 -0.006 0.000 0.286 732 Y C 1.848 177.738 175.900 -0.015 0.000 1.145 732 Y CA 1.825 59.914 58.100 -0.018 0.000 1.148 732 Y CB 0.074 38.514 38.460 -0.032 0.000 0.981 732 Y HN 0.588 nan 8.280 nan 0.000 0.507 733 E N -0.397 119.842 120.200 0.065 0.000 2.031 733 E HA -0.206 4.140 4.350 -0.006 0.000 0.193 733 E C 2.428 178.967 176.600 -0.102 0.000 0.994 733 E CA 2.089 58.478 56.400 -0.017 0.000 0.800 733 E CB -0.238 29.500 29.700 0.064 0.000 0.752 733 E HN 0.563 nan 8.360 nan 0.000 0.447 734 S N -1.549 114.114 115.700 -0.061 0.000 2.406 734 S HA 0.082 4.548 4.470 -0.006 0.000 0.224 734 S C 1.781 176.332 174.600 -0.083 0.000 1.030 734 S CA 0.803 58.965 58.200 -0.063 0.000 0.958 734 S CB 0.453 63.634 63.200 -0.033 0.000 0.811 734 S HN 0.442 nan 8.310 nan 0.000 0.489 735 G N 0.978 109.739 108.800 -0.065 0.000 2.175 735 G HA2 -0.072 3.884 3.960 -0.006 0.000 0.244 735 G HA3 -0.072 3.884 3.960 -0.006 0.000 0.244 735 G C 0.224 175.162 174.900 0.063 0.000 0.982 735 G CA 0.025 45.093 45.100 -0.054 0.000 0.641 735 G HN 1.337 nan 8.290 nan 0.000 0.527 736 A N 0.481 123.337 122.820 0.060 0.000 2.450 736 A HA 0.565 4.881 4.320 -0.006 0.000 0.255 736 A C 0.752 178.403 177.584 0.112 0.000 1.096 736 A CA 0.551 52.625 52.037 0.063 0.000 0.778 736 A CB 0.367 19.359 19.000 -0.014 0.000 1.031 736 A HN 0.578 nan 8.150 nan 0.000 0.494 737 K N 2.419 122.875 120.400 0.094 0.000 2.402 737 K HA 0.102 4.418 4.320 -0.006 0.000 0.285 737 K C -0.041 176.427 176.600 -0.221 0.000 1.054 737 K CA -0.039 56.162 56.287 -0.144 0.000 1.001 737 K CB 0.146 32.562 32.500 -0.141 0.000 0.946 737 K HN 0.601 nan 8.250 nan 0.000 0.473 738 R N 4.183 124.511 120.500 -0.285 0.000 2.491 738 R HA 0.100 4.436 4.340 -0.006 0.000 0.283 738 R C -1.785 174.250 176.300 -0.440 0.000 1.072 738 R CA -1.127 54.672 56.100 -0.500 0.000 1.048 738 R CB 0.407 30.326 30.300 -0.634 0.000 0.983 738 R HN 0.655 nan 8.270 nan 0.000 0.450 739 P HA 0.095 nan 4.420 nan 0.000 0.258 739 P C -0.842 176.401 177.300 -0.095 0.000 1.559 739 P CA 0.068 63.005 63.100 -0.272 0.000 0.855 739 P CB 0.217 31.783 31.700 -0.222 0.000 1.594 740 W N 0.853 122.119 121.300 -0.055 0.000 2.666 740 W HA 0.620 5.277 4.660 -0.006 0.000 0.334 740 W C 0.421 176.916 176.519 -0.041 0.000 1.051 740 W CA -0.776 56.523 57.345 -0.078 0.000 1.224 740 W CB 1.604 30.973 29.460 -0.151 0.000 1.405 740 W HN -0.061 nan 8.180 nan 0.000 0.513 741 R N 2.279 122.880 120.500 0.168 0.000 2.647 741 R HA 0.122 4.458 4.340 -0.006 0.000 0.260 741 R C -0.354 175.945 176.300 -0.002 0.000 1.154 741 R CA -0.782 55.370 56.100 0.086 0.000 1.029 741 R CB 0.944 31.286 30.300 0.069 0.000 1.262 741 R HN 0.538 nan 8.270 nan 0.000 0.437 742 K N 3.338 123.692 120.400 -0.076 0.000 3.730 742 K HA -0.256 4.060 4.320 -0.006 0.000 0.276 742 K C -1.414 175.148 176.600 -0.062 0.000 0.904 742 K CA 1.898 58.131 56.287 -0.090 0.000 0.741 742 K CB -0.598 31.911 32.500 0.016 0.000 1.542 742 K HN 0.761 nan 8.250 nan 0.000 0.446 743 Q N -0.045 119.645 119.800 -0.184 0.000 2.702 743 Q HA 0.319 4.655 4.340 -0.006 0.000 0.289 743 Q C -1.523 174.373 176.000 -0.174 0.000 0.923 743 Q CA -1.298 54.448 55.803 -0.095 0.000 0.787 743 Q CB 0.956 29.648 28.738 -0.078 0.000 1.476 743 Q HN 0.283 nan 8.270 nan 0.000 0.402 744 R N 0.972 121.427 120.500 -0.076 0.000 2.349 744 R HA 0.652 4.988 4.340 -0.006 0.000 0.299 744 R C -0.518 175.638 176.300 -0.239 0.000 1.027 744 R CA -0.227 55.806 56.100 -0.112 0.000 0.958 744 R CB 1.439 31.731 30.300 -0.014 0.000 1.047 744 R HN 0.577 nan 8.270 nan 0.000 0.468 745 V N -0.234 119.456 119.914 -0.373 0.000 3.102 745 V HA 0.496 4.612 4.120 -0.006 0.000 0.312 745 V C -1.134 174.751 176.094 -0.348 0.000 1.135 745 V CA -1.076 60.944 62.300 -0.467 0.000 1.022 745 V CB 2.348 33.571 31.823 -1.000 0.000 1.056 745 V HN 0.648 nan 8.190 nan 0.000 0.436 746 D N 3.280 123.533 120.400 -0.246 0.000 2.500 746 D HA 0.334 4.970 4.640 -0.006 0.000 0.219 746 D C -0.073 176.164 176.300 -0.105 0.000 1.137 746 D CA 0.207 54.125 54.000 -0.137 0.000 0.946 746 D CB 1.103 41.869 40.800 -0.057 0.000 1.022 746 D HN 0.724 nan 8.370 nan 0.000 0.518 747 M N 2.660 122.164 119.600 -0.159 0.000 2.217 747 M HA 0.033 4.509 4.480 -0.006 0.000 0.352 747 M C -0.752 175.604 176.300 0.093 0.000 1.376 747 M CA -0.397 54.869 55.300 -0.056 0.000 1.107 747 M CB 0.451 32.976 32.600 -0.126 0.000 1.723 747 M HN 0.262 nan 8.290 nan 0.000 0.461 748 Y N 6.894 127.236 120.300 0.069 0.000 2.452 748 Y HA 0.417 4.963 4.550 -0.007 0.000 0.348 748 Y C -1.453 174.482 175.900 0.057 0.000 0.985 748 Y CA -0.428 57.705 58.100 0.055 0.000 1.214 748 Y CB 0.260 38.761 38.460 0.067 0.000 1.136 748 Y HN 0.578 nan 8.280 nan 0.000 0.523 749 L N 10.337 131.283 121.223 -0.461 0.000 2.417 749 L HA 0.384 4.720 4.340 -0.006 0.000 0.259 749 L C -2.254 174.312 176.870 -0.507 0.000 1.023 749 L CA -2.030 52.560 54.840 -0.416 0.000 0.901 749 L CB 1.258 43.205 42.059 -0.187 0.000 1.227 749 L HN 0.513 nan 8.230 nan 0.000 0.454 750 P HA 0.014 nan 4.420 nan 0.000 0.274 750 P C 0.804 178.019 177.300 -0.142 0.000 1.264 750 P CA -0.250 62.629 63.100 -0.369 0.000 0.795 750 P CB 1.027 32.570 31.700 -0.262 0.000 1.064 751 A N 0.515 123.303 122.820 -0.053 0.000 2.139 751 A HA -0.191 4.125 4.320 -0.006 0.000 0.221 751 A C 1.395 178.986 177.584 0.012 0.000 1.159 751 A CA 2.148 54.182 52.037 -0.005 0.000 0.662 751 A CB -1.201 17.811 19.000 0.019 0.000 0.796 751 A HN 0.716 nan 8.150 nan 0.000 0.463 752 D N -2.598 117.812 120.400 0.017 0.000 2.469 752 D HA 0.277 4.913 4.640 -0.006 0.000 0.213 752 D C 0.535 176.933 176.300 0.163 0.000 1.135 752 D CA 0.774 54.820 54.000 0.077 0.000 0.834 752 D CB -0.310 40.525 40.800 0.058 0.000 1.009 752 D HN 0.376 nan 8.370 nan 0.000 0.507 753 K N 0.798 121.238 120.400 0.067 0.000 2.208 753 K HA 0.743 5.059 4.320 -0.006 0.000 0.247 753 K C -0.875 175.675 176.600 -0.083 0.000 0.953 753 K CA -0.847 55.490 56.287 0.083 0.000 0.837 753 K CB 2.136 34.641 32.500 0.009 0.000 1.131 753 K HN 0.255 nan 8.250 nan 0.000 0.431 754 I N 0.609 121.067 120.570 -0.186 0.000 2.619 754 I HA 0.595 4.761 4.170 -0.006 0.000 0.292 754 I C 0.470 176.427 176.117 -0.266 0.000 1.100 754 I CA -0.916 60.197 61.300 -0.311 0.000 1.043 754 I CB 2.073 39.760 38.000 -0.523 0.000 1.239 754 I HN 0.811 nan 8.210 nan 0.000 0.420 755 G N 7.823 116.491 108.800 -0.220 0.000 2.255 755 G HA2 0.355 4.311 3.960 -0.006 0.000 0.267 755 G HA3 0.355 4.311 3.960 -0.006 0.000 0.267 755 G C -0.824 173.885 174.900 -0.319 0.000 1.177 755 G CA -0.062 44.930 45.100 -0.179 0.000 1.027 755 G HN 0.512 nan 8.290 nan 0.000 0.437 756 L N 3.119 124.100 121.223 -0.403 0.000 2.376 756 L HA 0.440 4.776 4.340 -0.006 0.000 0.275 756 L C -0.720 175.881 176.870 -0.448 0.000 0.987 756 L CA -0.864 53.737 54.840 -0.398 0.000 0.828 756 L CB 2.046 43.911 42.059 -0.324 0.000 1.249 756 L HN 0.603 nan 8.230 nan 0.000 0.409 757 H N 2.831 121.912 119.070 0.018 0.000 2.717 757 H HA 0.563 5.115 4.556 -0.007 0.000 0.366 757 H C -0.965 174.597 175.328 0.389 0.000 1.132 757 H CA -0.502 55.683 56.048 0.229 0.000 1.180 757 H CB 2.364 32.247 29.762 0.202 0.000 1.678 757 H HN 0.373 nan 8.280 nan 0.000 0.537 758 L N 2.308 123.872 121.223 0.569 0.000 2.307 758 L HA 0.440 4.776 4.340 -0.006 0.000 0.282 758 L C 0.245 177.400 176.870 0.475 0.000 1.051 758 L CA -0.578 54.546 54.840 0.473 0.000 0.804 758 L CB 1.129 43.390 42.059 0.337 0.000 1.197 758 L HN 0.455 nan 8.230 nan 0.000 0.431 759 R N 2.240 122.872 120.500 0.221 0.000 2.297 759 R HA 0.395 4.731 4.340 -0.006 0.000 0.308 759 R C 0.035 176.402 176.300 0.110 0.000 1.029 759 R CA -0.518 55.435 56.100 -0.244 0.000 0.929 759 R CB 1.201 31.264 30.300 -0.395 0.000 1.046 759 R HN 0.772 nan 8.270 nan 0.000 0.461 760 G N 1.138 109.958 108.800 0.033 0.000 2.414 760 G HA2 0.320 4.276 3.960 -0.006 0.000 0.236 760 G HA3 0.320 4.276 3.960 -0.006 0.000 0.236 760 G C 0.799 175.756 174.900 0.095 0.000 1.293 760 G CA 0.333 45.543 45.100 0.183 0.000 0.869 760 G HN 0.978 nan 8.290 nan 0.000 0.556 761 G N -0.038 108.769 108.800 0.012 0.000 2.179 761 G HA2 -0.192 3.764 3.960 -0.006 0.000 0.220 761 G HA3 -0.192 3.764 3.960 -0.006 0.000 0.220 761 G C -0.071 174.521 174.900 -0.512 0.000 0.990 761 G CA 0.304 45.259 45.100 -0.242 0.000 0.646 761 G HN 0.818 nan 8.290 nan 0.000 0.517 762 Y N -0.475 119.854 120.300 0.047 0.000 2.462 762 Y HA 0.738 5.284 4.550 -0.006 0.000 0.346 762 Y C 0.355 176.277 175.900 0.037 0.000 0.976 762 Y CA -1.145 56.992 58.100 0.062 0.000 1.044 762 Y CB 1.678 40.177 38.460 0.066 0.000 1.230 762 Y HN 0.082 nan 8.280 nan 0.000 0.455 763 I N 5.120 125.832 120.570 0.238 0.000 2.382 763 I HA 0.445 4.611 4.170 -0.006 0.000 0.286 763 I C -0.764 175.465 176.117 0.188 0.000 1.002 763 I CA -0.658 60.732 61.300 0.150 0.000 1.135 763 I CB 1.027 39.135 38.000 0.180 0.000 1.288 763 I HN 0.438 nan 8.210 nan 0.000 0.448 764 I N 5.432 126.018 120.570 0.026 0.000 2.433 764 I HA 0.676 4.842 4.170 -0.006 0.000 0.292 764 I C -2.698 173.452 176.117 0.054 0.000 1.001 764 I CA -2.331 58.954 61.300 -0.026 0.000 1.119 764 I CB 1.824 39.543 38.000 -0.468 0.000 1.289 764 I HN 0.221 nan 8.210 nan 0.000 0.438 765 P HA 0.435 nan 4.420 nan 0.000 0.286 765 P C -0.828 176.610 177.300 0.229 0.000 1.269 765 P CA -0.153 63.039 63.100 0.153 0.000 0.787 765 P CB 1.461 33.290 31.700 0.215 0.000 0.920 766 I N -0.632 120.015 120.570 0.128 0.000 3.206 766 I HA 0.740 4.906 4.170 -0.006 0.000 0.313 766 I C -0.942 175.251 176.117 0.128 0.000 1.103 766 I CA -1.322 60.094 61.300 0.192 0.000 0.985 766 I CB 2.565 40.670 38.000 0.175 0.000 1.240 766 I HN 0.260 nan 8.210 nan 0.000 0.464 767 Q N 1.580 121.483 119.800 0.171 0.000 2.281 767 Q HA 0.303 4.639 4.340 -0.006 0.000 0.263 767 Q C -1.513 174.574 176.000 0.146 0.000 0.989 767 Q CA -0.580 55.295 55.803 0.119 0.000 0.852 767 Q CB 2.189 31.018 28.738 0.151 0.000 1.337 767 Q HN 0.767 nan 8.270 nan 0.000 0.418 768 E N 5.138 125.392 120.200 0.089 0.000 2.694 768 E HA -0.003 4.344 4.350 -0.006 0.000 0.250 768 E C -2.084 174.592 176.600 0.126 0.000 0.963 768 E CA -0.632 55.821 56.400 0.088 0.000 0.949 768 E CB 0.414 30.141 29.700 0.045 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 -0.572 176.793 177.300 0.108 0.000 1.246 769 P CA -0.028 63.176 63.100 0.173 0.000 0.795 769 P CB 1.074 32.866 31.700 0.153 0.000 1.006 770 D N -1.107 119.350 120.400 0.095 0.000 2.921 770 D HA 0.129 4.765 4.640 -0.006 0.000 0.329 770 D C 0.566 176.801 176.300 -0.107 0.000 1.293 770 D CA -0.346 53.666 54.000 0.020 0.000 0.964 770 D CB 1.589 42.427 40.800 0.063 0.000 1.435 770 D HN 0.106 nan 8.370 nan 0.000 0.548 771 V N -1.511 118.345 119.914 -0.096 0.000 3.649 771 V HA 0.308 4.424 4.120 -0.006 0.000 0.275 771 V C 0.616 176.632 176.094 -0.130 0.000 1.281 771 V CA 1.012 63.208 62.300 -0.173 0.000 1.143 771 V CB -0.393 31.384 31.823 -0.076 0.000 0.892 771 V HN 0.550 nan 8.190 nan 0.000 0.441 772 T N -3.812 110.750 114.554 0.013 0.000 2.883 772 T HA 0.410 4.757 4.350 -0.006 0.000 0.301 772 T C 0.871 175.770 174.700 0.332 0.000 1.158 772 T CA 0.375 62.569 62.100 0.158 0.000 1.007 772 T CB 1.590 70.488 68.868 0.050 0.000 1.186 772 T HN 0.384 nan 8.240 nan 0.000 0.499 773 T N -1.109 113.691 114.554 0.411 0.000 2.904 773 T HA -0.070 4.276 4.350 -0.006 0.000 0.267 773 T C 1.881 176.735 174.700 0.257 0.000 1.059 773 T CA 1.730 64.080 62.100 0.416 0.000 1.137 773 T CB -1.336 67.820 68.868 0.481 0.000 0.879 773 T HN 0.703 nan 8.240 nan 0.000 0.467 774 T N 2.621 117.275 114.554 0.166 0.000 2.597 774 T HA -0.109 4.237 4.350 -0.006 0.000 0.267 774 T C 2.443 177.192 174.700 0.083 0.000 1.053 774 T CA 1.777 63.927 62.100 0.084 0.000 1.165 774 T CB -0.991 67.896 68.868 0.032 0.000 0.863 774 T HN 0.629 nan 8.240 nan 0.000 0.427 775 A N 1.718 124.591 122.820 0.088 0.000 1.898 775 A HA -0.067 4.249 4.320 -0.006 0.000 0.216 775 A C 2.639 180.287 177.584 0.107 0.000 1.181 775 A CA 2.159 54.241 52.037 0.075 0.000 0.620 775 A CB -0.986 18.046 19.000 0.054 0.000 0.819 775 A HN 0.611 nan 8.150 nan 0.000 0.442 776 S N -0.113 115.689 115.700 0.170 0.000 2.399 776 S HA -0.191 4.275 4.470 -0.006 0.000 0.231 776 S C 1.953 176.670 174.600 0.196 0.000 1.022 776 S CA 1.306 59.632 58.200 0.209 0.000 0.983 776 S CB -0.500 62.903 63.200 0.338 0.000 0.803 776 S HN 0.571 nan 8.310 nan 0.000 0.480 777 R N 1.689 122.300 120.500 0.185 0.000 2.241 777 R HA 0.032 4.369 4.340 -0.006 0.000 0.224 777 R C 1.810 178.214 176.300 0.174 0.000 1.101 777 R CA 1.409 57.623 56.100 0.191 0.000 0.995 777 R CB -0.136 30.196 30.300 0.053 0.000 0.870 777 R HN 0.679 nan 8.270 nan 0.000 0.463 778 K N -0.452 120.011 120.400 0.105 0.000 2.374 778 K HA 0.140 4.456 4.320 -0.006 0.000 0.196 778 K C 0.023 176.639 176.600 0.026 0.000 1.023 778 K CA -0.205 56.120 56.287 0.063 0.000 1.103 778 K CB 0.290 32.818 32.500 0.047 0.000 0.848 778 K HN -0.024 nan 8.250 nan 0.000 0.528 779 N N 3.120 121.842 118.700 0.036 0.000 2.503 779 N HA 0.151 4.887 4.740 -0.006 0.000 0.267 779 N C -2.470 173.016 175.510 -0.040 0.000 1.214 779 N CA -1.753 51.303 53.050 0.011 0.000 0.959 779 N CB 0.267 38.779 38.487 0.042 0.000 1.142 779 N HN 0.004 nan 8.380 nan 0.000 0.455 780 P HA 0.004 nan 4.420 nan 0.000 0.265 780 P C -0.042 177.190 177.300 -0.113 0.000 1.187 780 P CA 0.256 63.297 63.100 -0.099 0.000 0.766 780 P CB 0.693 32.354 31.700 -0.066 0.000 0.820 781 L N 1.512 122.613 121.223 -0.203 0.000 2.569 781 L HA 0.828 5.164 4.340 -0.006 0.000 0.247 781 L C 1.234 178.078 176.870 -0.042 0.000 1.135 781 L CA -0.001 54.716 54.840 -0.204 0.000 0.812 781 L CB 0.828 42.561 42.059 -0.544 0.000 1.431 781 L HN 0.579 nan 8.230 nan 0.000 0.499 782 G N -0.368 108.472 108.800 0.065 0.000 2.523 782 G HA2 0.564 4.520 3.960 -0.006 0.000 0.291 782 G HA3 0.564 4.520 3.960 -0.006 0.000 0.291 782 G C -2.085 172.758 174.900 -0.095 0.000 1.450 782 G CA -0.646 44.464 45.100 0.017 0.000 0.790 782 G HN 0.347 nan 8.290 nan 0.000 0.496 783 L N 0.175 121.244 121.223 -0.257 0.000 2.381 783 L HA 0.649 4.985 4.340 -0.006 0.000 0.268 783 L C -0.590 176.122 176.870 -0.263 0.000 0.997 783 L CA -0.931 53.684 54.840 -0.376 0.000 0.818 783 L CB 2.437 44.083 42.059 -0.688 0.000 1.310 783 L HN 0.357 nan 8.230 nan 0.000 0.416 784 I N 2.654 123.102 120.570 -0.205 0.000 2.406 784 I HA 0.356 4.522 4.170 -0.006 0.000 0.290 784 I C -0.667 175.345 176.117 -0.175 0.000 0.999 784 I CA -0.800 60.391 61.300 -0.182 0.000 1.124 784 I CB 2.240 40.169 38.000 -0.117 0.000 1.289 784 I HN 0.172 nan 8.210 nan 0.000 0.441 785 V N 6.043 125.829 119.914 -0.214 0.000 2.293 785 V HA 0.401 4.518 4.120 -0.006 0.000 0.275 785 V C 0.512 176.479 176.094 -0.212 0.000 1.021 785 V CA -0.560 61.636 62.300 -0.173 0.000 0.815 785 V CB 1.244 32.956 31.823 -0.186 0.000 1.025 785 V HN 0.824 nan 8.190 nan 0.000 0.448 786 A N 6.797 129.524 122.820 -0.155 0.000 2.415 786 A HA 0.608 4.924 4.320 -0.006 0.000 0.309 786 A C 0.035 177.585 177.584 -0.057 0.000 1.356 786 A CA -0.277 51.619 52.037 -0.236 0.000 0.998 786 A CB -0.149 18.828 19.000 -0.037 0.000 1.145 786 A HN 0.815 nan 8.150 nan 0.000 0.545 787 L N 2.004 123.180 121.223 -0.079 0.000 2.483 787 L HA 0.389 4.726 4.340 -0.006 0.000 0.275 787 L C 1.015 177.978 176.870 0.154 0.000 1.220 787 L CA 0.208 55.083 54.840 0.059 0.000 0.833 787 L CB 0.810 42.913 42.059 0.074 0.000 1.102 787 L HN 0.717 nan 8.230 nan 0.000 0.490 788 G N 0.732 109.580 108.800 0.081 0.000 2.737 788 G HA2 0.402 4.358 3.960 -0.006 0.000 0.290 788 G HA3 0.402 4.358 3.960 -0.006 0.000 0.290 788 G C -0.034 174.882 174.900 0.025 0.000 1.482 788 G CA -0.194 44.936 45.100 0.051 0.000 1.017 788 G HN 0.839 nan 8.290 nan 0.000 0.529 789 E N 1.048 121.262 120.200 0.024 0.000 4.115 789 E HA -0.362 3.984 4.350 -0.006 0.000 0.209 789 E C 1.164 177.775 176.600 0.018 0.000 1.290 789 E CA 2.341 58.749 56.400 0.013 0.000 2.168 789 E CB -0.447 29.254 29.700 0.002 0.000 1.888 789 E HN 0.515 nan 8.360 nan 0.000 0.272 790 N N 1.776 120.482 118.700 0.011 0.000 2.485 790 N HA -0.003 4.733 4.740 -0.006 0.000 0.199 790 N C -0.372 175.146 175.510 0.014 0.000 1.236 790 N CA 0.869 53.925 53.050 0.009 0.000 0.852 790 N CB -0.236 38.252 38.487 0.001 0.000 1.018 790 N HN 0.313 nan 8.380 nan 0.000 0.457 791 N N -0.618 118.100 118.700 0.030 0.000 2.735 791 N HA -0.148 4.588 4.740 -0.006 0.000 0.248 791 N C -1.020 174.513 175.510 0.038 0.000 1.083 791 N CA 1.062 54.139 53.050 0.046 0.000 0.703 791 N CB -1.385 37.129 38.487 0.046 0.000 1.005 791 N HN 0.183 nan 8.380 nan 0.000 0.550 792 T N -0.790 113.775 114.554 0.019 0.000 2.942 792 T HA 0.932 5.278 4.350 -0.006 0.000 0.289 792 T C -0.129 174.564 174.700 -0.013 0.000 1.044 792 T CA -0.090 62.011 62.100 0.002 0.000 1.023 792 T CB 2.349 71.204 68.868 -0.020 0.000 1.123 792 T HN 0.359 nan 8.240 nan 0.000 0.512 793 A N 1.699 124.509 122.820 -0.016 0.000 2.577 793 A HA 0.715 5.031 4.320 -0.006 0.000 0.297 793 A C -1.484 176.092 177.584 -0.013 0.000 1.060 793 A CA -0.928 51.081 52.037 -0.048 0.000 0.697 793 A CB 1.444 20.444 19.000 0.000 0.000 1.281 793 A HN 0.521 nan 8.150 nan 0.000 0.402 794 K N 0.240 120.607 120.400 -0.054 0.000 2.385 794 K HA 0.837 5.153 4.320 -0.006 0.000 0.248 794 K C -0.240 176.469 176.600 0.181 0.000 0.955 794 K CA -0.285 56.033 56.287 0.053 0.000 0.816 794 K CB 2.615 35.114 32.500 -0.001 0.000 1.250 794 K HN 1.431 nan 8.250 nan 0.000 0.434 795 G N 0.974 109.939 108.800 0.275 0.000 2.576 795 G HA2 0.528 4.484 3.960 -0.006 0.000 0.290 795 G HA3 0.528 4.484 3.960 -0.006 0.000 0.290 795 G C -1.905 173.125 174.900 0.217 0.000 1.442 795 G CA -0.709 44.620 45.100 0.382 0.000 0.792 795 G HN 0.557 nan 8.290 nan 0.000 0.491 796 D N -1.629 118.931 120.400 0.267 0.000 2.592 796 D HA 0.789 5.425 4.640 -0.006 0.000 0.263 796 D C -1.402 175.146 176.300 0.413 0.000 1.132 796 D CA -0.792 53.276 54.000 0.115 0.000 0.996 796 D CB 2.373 43.297 40.800 0.207 0.000 1.442 796 D HN 0.541 nan 8.370 nan 0.000 0.486 797 F N 0.379 120.456 119.950 0.213 0.000 2.639 797 F HA 0.568 5.091 4.527 -0.007 0.000 0.320 797 F C -2.510 173.564 175.800 0.456 0.000 1.128 797 F CA -1.504 56.770 58.000 0.457 0.000 1.037 797 F CB 1.467 40.844 39.000 0.628 0.000 1.288 797 F HN 0.420 nan 8.300 nan 0.000 0.463 798 F N 7.216 127.036 119.950 -0.218 0.000 2.529 798 F HA 0.668 5.191 4.527 -0.006 0.000 0.320 798 F C -2.116 173.522 175.800 -0.270 0.000 1.118 798 F CA -0.716 57.055 58.000 -0.382 0.000 0.915 798 F CB 1.494 40.135 39.000 -0.599 0.000 1.161 798 F HN 0.603 nan 8.300 nan 0.000 0.445 799 W N 8.521 129.139 121.300 -1.137 0.000 3.042 799 W HA 0.334 4.990 4.660 -0.006 0.000 0.337 799 W C -1.858 174.220 176.519 -0.735 0.000 1.086 799 W CA -0.540 56.385 57.345 -0.700 0.000 1.236 799 W CB 2.018 31.217 29.460 -0.434 0.000 1.381 799 W HN 0.787 nan 8.180 nan 0.000 0.472 800 D N 1.519 121.298 120.400 -1.035 0.000 2.895 800 D HA 0.100 4.736 4.640 -0.006 0.000 0.320 800 D C 0.549 176.102 176.300 -1.244 0.000 1.249 800 D CA -0.251 53.089 54.000 -1.101 0.000 0.997 800 D CB 0.144 40.581 40.800 -0.604 0.000 1.430 800 D HN 0.366 nan 8.370 nan 0.000 0.558 801 D N -1.097 118.691 120.400 -1.020 0.000 2.363 801 D HA 0.090 4.726 4.640 -0.006 0.000 0.226 801 D C 1.286 177.386 176.300 -0.334 0.000 1.020 801 D CA 0.646 54.347 54.000 -0.499 0.000 0.892 801 D CB -0.530 40.162 40.800 -0.179 0.000 0.900 801 D HN 0.869 nan 8.370 nan 0.000 0.531 802 G N 1.833 110.448 108.800 -0.309 0.000 2.225 802 G HA2 -0.338 3.618 3.960 -0.006 0.000 0.267 802 G HA3 -0.338 3.618 3.960 -0.006 0.000 0.267 802 G C 0.522 175.434 174.900 0.019 0.000 1.024 802 G CA 0.986 46.010 45.100 -0.127 0.000 0.784 802 G HN 0.635 nan 8.290 nan 0.000 0.507 803 E N -3.491 116.718 120.200 0.015 0.000 2.370 803 E HA 0.048 4.394 4.350 -0.006 0.000 0.195 803 E C 0.392 177.017 176.600 0.043 0.000 1.001 803 E CA 0.224 56.662 56.400 0.064 0.000 1.531 803 E CB -0.099 29.666 29.700 0.108 0.000 2.982 803 E HN 0.257 nan 8.360 nan 0.000 1.057 804 T N 2.122 116.687 114.554 0.019 0.000 2.870 804 T HA 0.105 4.451 4.350 -0.006 0.000 0.300 804 T C 0.601 175.315 174.700 0.022 0.000 0.989 804 T CA -0.218 61.899 62.100 0.028 0.000 1.139 804 T CB 1.752 70.634 68.868 0.024 0.000 0.920 804 T HN 0.057 nan 8.240 nan 0.000 0.537 805 K N 1.712 122.131 120.400 0.031 0.000 2.148 805 K HA -0.109 4.207 4.320 -0.006 0.000 0.204 805 K C 0.889 177.497 176.600 0.014 0.000 1.050 805 K CA 1.322 57.620 56.287 0.018 0.000 0.942 805 K CB 0.090 32.612 32.500 0.037 0.000 0.724 805 K HN 0.714 nan 8.250 nan 0.000 0.446 806 D N -0.567 119.856 120.400 0.038 0.000 2.559 806 D HA -0.030 4.607 4.640 -0.006 0.000 0.234 806 D C 1.092 177.442 176.300 0.083 0.000 1.226 806 D CA 0.095 54.129 54.000 0.057 0.000 0.830 806 D CB 0.160 40.997 40.800 0.061 0.000 1.028 806 D HN 0.082 nan 8.370 nan 0.000 0.492 807 T N -1.131 113.473 114.554 0.085 0.000 2.684 807 T HA -0.196 4.150 4.350 -0.006 0.000 0.267 807 T C 1.951 176.815 174.700 0.273 0.000 1.036 807 T CA 0.696 62.883 62.100 0.144 0.000 1.148 807 T CB -0.398 68.538 68.868 0.113 0.000 0.863 807 T HN 0.084 nan 8.240 nan 0.000 0.436 808 I N 1.828 122.541 120.570 0.238 0.000 2.179 808 I HA -0.147 4.019 4.170 -0.006 0.000 0.242 808 I C 2.988 179.268 176.117 0.271 0.000 1.088 808 I CA 1.547 63.015 61.300 0.279 0.000 1.357 808 I CB -0.616 37.456 38.000 0.120 0.000 1.051 808 I HN 0.340 nan 8.210 nan 0.000 0.409 809 Q N 0.287 120.190 119.800 0.171 0.000 2.291 809 Q HA -0.184 4.152 4.340 -0.006 0.000 0.206 809 Q C 0.854 176.924 176.000 0.117 0.000 0.976 809 Q CA 1.261 57.139 55.803 0.125 0.000 0.875 809 Q CB 0.073 28.869 28.738 0.096 0.000 0.927 809 Q HN 0.490 nan 8.270 nan 0.000 0.450 810 N N -0.853 117.925 118.700 0.130 0.000 2.203 810 N HA 0.131 4.867 4.740 -0.006 0.000 0.207 810 N C 0.088 175.653 175.510 0.093 0.000 1.130 810 N CA 0.797 53.907 53.050 0.099 0.000 0.861 810 N CB 1.136 39.673 38.487 0.084 0.000 1.005 810 N HN 0.311 nan 8.380 nan 0.000 0.507 811 G N 1.402 110.270 108.800 0.113 0.000 2.273 811 G HA2 -0.277 3.679 3.960 -0.006 0.000 0.280 811 G HA3 -0.277 3.679 3.960 -0.006 0.000 0.280 811 G C -0.185 174.656 174.900 -0.099 0.000 1.047 811 G CA -0.180 44.879 45.100 -0.068 0.000 0.869 811 G HN 0.282 nan 8.290 nan 0.000 0.502 812 N N 0.168 118.884 118.700 0.026 0.000 3.228 812 N HA 0.469 5.205 4.740 -0.006 0.000 0.289 812 N C -0.249 175.304 175.510 0.073 0.000 1.419 812 N CA 0.182 53.261 53.050 0.048 0.000 1.088 812 N CB 0.254 38.793 38.487 0.086 0.000 1.357 812 N HN 0.747 nan 8.380 nan 0.000 0.504 813 Y N -1.918 118.428 120.300 0.077 0.000 2.744 813 Y HA 0.634 5.180 4.550 -0.006 0.000 0.330 813 Y C -1.076 174.857 175.900 0.054 0.000 1.263 813 Y CA -1.307 56.726 58.100 -0.112 0.000 1.065 813 Y CB 1.004 39.260 38.460 -0.340 0.000 1.306 813 Y HN -0.166 nan 8.280 nan 0.000 0.459 814 I N 2.210 122.895 120.570 0.191 0.000 2.474 814 I HA 0.497 4.663 4.170 -0.006 0.000 0.294 814 I C -1.447 174.774 176.117 0.173 0.000 1.005 814 I CA -0.923 60.499 61.300 0.203 0.000 1.113 814 I CB 1.961 40.124 38.000 0.271 0.000 1.289 814 I HN 0.534 nan 8.210 nan 0.000 0.436 815 L N 7.085 128.429 121.223 0.200 0.000 2.381 815 L HA 0.543 4.879 4.340 -0.006 0.000 0.274 815 L C -1.667 175.244 176.870 0.067 0.000 0.988 815 L CA -0.173 54.772 54.840 0.174 0.000 0.824 815 L CB 1.458 43.690 42.059 0.288 0.000 1.263 815 L HN 0.355 nan 8.230 nan 0.000 0.410 816 Y N 1.945 122.341 120.300 0.161 0.000 2.524 816 Y HA 0.699 5.245 4.550 -0.007 0.000 0.344 816 Y C 0.043 175.835 175.900 -0.180 0.000 1.012 816 Y CA -0.492 57.663 58.100 0.092 0.000 1.068 816 Y CB 2.661 41.294 38.460 0.288 0.000 1.249 816 Y HN 0.467 nan 8.280 nan 0.000 0.468 817 T N 3.766 118.309 114.554 -0.017 0.000 2.824 817 T HA 0.555 4.901 4.350 -0.006 0.000 0.282 817 T C -1.438 173.188 174.700 -0.124 0.000 0.993 817 T CA -0.548 61.479 62.100 -0.123 0.000 0.967 817 T CB 0.263 69.165 68.868 0.056 0.000 0.960 817 T HN 0.213 nan 8.240 nan 0.000 0.441 818 F N 1.370 121.447 119.950 0.212 0.000 2.492 818 F HA 0.784 5.307 4.527 -0.007 0.000 0.327 818 F C 0.623 176.481 175.800 0.097 0.000 1.079 818 F CA -1.265 56.810 58.000 0.126 0.000 0.967 818 F CB 1.958 40.994 39.000 0.061 0.000 1.169 818 F HN 0.418 nan 8.300 nan 0.000 0.472 819 S N 1.494 117.356 115.700 0.270 0.000 2.603 819 S HA 0.758 5.225 4.470 -0.006 0.000 0.274 819 S C -1.915 172.756 174.600 0.119 0.000 1.168 819 S CA -0.485 57.807 58.200 0.154 0.000 0.963 819 S CB 1.025 64.296 63.200 0.117 0.000 1.078 819 S HN 0.424 nan 8.310 nan 0.000 0.477 820 V N 4.212 124.182 119.914 0.093 0.000 2.540 820 V HA 0.936 5.052 4.120 -0.006 0.000 0.302 820 V C -0.277 175.840 176.094 0.037 0.000 1.035 820 V CA -0.329 62.024 62.300 0.088 0.000 0.873 820 V CB 1.520 33.441 31.823 0.164 0.000 0.992 820 V HN 1.094 nan 8.190 nan 0.000 0.428 821 S N 2.817 118.509 115.700 -0.014 0.000 2.567 821 S HA 0.514 4.981 4.470 -0.006 0.000 0.270 821 S C -0.261 174.271 174.600 -0.112 0.000 1.152 821 S CA -0.616 57.561 58.200 -0.039 0.000 0.835 821 S CB 1.712 64.897 63.200 -0.026 0.000 1.115 821 S HN 0.726 nan 8.310 nan 0.000 0.459 822 N N 1.409 120.041 118.700 -0.113 0.000 2.725 822 N HA -0.200 4.536 4.740 -0.006 0.000 0.249 822 N C -0.351 174.971 175.510 -0.313 0.000 1.103 822 N CA 1.195 54.147 53.050 -0.163 0.000 0.707 822 N CB -1.935 36.469 38.487 -0.138 0.000 1.043 822 N HN 0.978 nan 8.380 nan 0.000 0.553 823 N N -1.523 116.942 118.700 -0.391 0.000 2.721 823 N HA -0.218 4.518 4.740 -0.006 0.000 0.249 823 N C -0.619 173.995 175.510 -1.494 0.000 1.072 823 N CA 1.363 53.841 53.050 -0.954 0.000 0.710 823 N CB -0.678 37.285 38.487 -0.872 0.000 0.993 823 N HN 0.530 nan 8.380 nan 0.000 0.547 824 T N -0.360 113.668 114.554 -0.876 0.000 2.991 824 T HA 0.524 4.870 4.350 -0.006 0.000 0.303 824 T C -1.149 173.414 174.700 -0.227 0.000 1.015 824 T CA -0.892 60.834 62.100 -0.624 0.000 1.007 824 T CB 1.264 69.918 68.868 -0.356 0.000 1.034 824 T HN 0.243 nan 8.240 nan 0.000 0.446 825 L N 4.465 125.673 121.223 -0.024 0.000 2.289 825 L HA 0.658 4.995 4.340 -0.006 0.000 0.285 825 L C -0.786 176.139 176.870 0.093 0.000 1.049 825 L CA 0.056 54.971 54.840 0.125 0.000 0.804 825 L CB 1.061 43.256 42.059 0.227 0.000 1.195 825 L HN 0.632 nan 8.230 nan 0.000 0.428 826 D N 6.530 127.001 120.400 0.119 0.000 2.344 826 D HA 0.362 4.998 4.640 -0.006 0.000 0.239 826 D C -0.576 175.875 176.300 0.252 0.000 1.064 826 D CA 0.059 54.151 54.000 0.154 0.000 0.829 826 D CB 2.104 42.979 40.800 0.126 0.000 1.129 826 D HN 0.451 nan 8.370 nan 0.000 0.506 827 I N 2.364 123.114 120.570 0.299 0.000 2.359 827 I HA 0.135 4.301 4.170 -0.006 0.000 0.284 827 I C -0.443 175.986 176.117 0.519 0.000 1.018 827 I CA -0.678 60.903 61.300 0.467 0.000 1.173 827 I CB 1.442 39.654 38.000 0.353 0.000 1.326 827 I HN -0.012 nan 8.210 nan 0.000 0.462 828 V N 5.177 125.396 119.914 0.508 0.000 2.350 828 V HA 0.219 4.335 4.120 -0.006 0.000 0.285 828 V C -0.026 176.177 176.094 0.182 0.000 1.014 828 V CA -0.776 61.705 62.300 0.302 0.000 0.831 828 V CB 1.512 33.442 31.823 0.179 0.000 1.000 828 V HN 0.817 nan 8.190 nan 0.000 0.433 829 C N 5.446 124.716 119.300 -0.050 0.000 2.442 829 C HA 0.374 4.830 4.460 -0.006 0.000 0.362 829 C C 1.912 176.798 174.990 -0.174 0.000 1.242 829 C CA 0.479 59.203 59.018 -0.491 0.000 1.741 829 C CB -0.361 27.081 27.740 -0.496 0.000 2.378 829 C HN 1.072 nan 8.230 nan 0.000 0.549 830 T N 1.135 115.631 114.554 -0.097 0.000 3.081 830 T HA 0.168 4.514 4.350 -0.006 0.000 0.250 830 T C 0.185 174.956 174.700 0.118 0.000 1.100 830 T CA 0.491 62.615 62.100 0.039 0.000 1.038 830 T CB -0.281 68.646 68.868 0.098 0.000 0.962 830 T HN 0.893 nan 8.240 nan 0.000 0.516 831 H N -0.325 118.713 119.070 -0.054 0.000 3.140 831 H HA 0.503 5.055 4.556 -0.006 0.000 0.336 831 H C -1.919 173.351 175.328 -0.096 0.000 1.142 831 H CA -0.422 55.592 56.048 -0.057 0.000 1.308 831 H CB 1.662 31.419 29.762 -0.009 0.000 1.970 831 H HN 0.063 nan 8.280 nan 0.000 0.521 832 S N 3.743 119.166 115.700 -0.461 0.000 2.511 832 S HA 0.381 4.847 4.470 -0.006 0.000 0.233 832 S C -1.242 173.196 174.600 -0.270 0.000 1.104 832 S CA -0.010 58.055 58.200 -0.225 0.000 1.129 832 S CB 0.474 63.602 63.200 -0.120 0.000 1.159 832 S HN 0.605 nan 8.310 nan 0.000 0.451 833 S N 4.610 120.210 115.700 -0.167 0.000 2.598 833 S HA 0.382 4.848 4.470 -0.006 0.000 0.209 833 S C -1.487 173.168 174.600 0.092 0.000 1.029 833 S CA -0.298 57.852 58.200 -0.083 0.000 1.172 833 S CB 0.154 63.273 63.200 -0.135 0.000 1.427 833 S HN 0.788 nan 8.310 nan 0.000 0.418 834 Y N 1.432 121.717 120.300 -0.025 0.000 2.379 834 Y HA 0.479 5.025 4.550 -0.006 0.000 0.342 834 Y C 0.525 176.448 175.900 0.038 0.000 1.126 834 Y CA -0.018 58.092 58.100 0.016 0.000 1.310 834 Y CB 0.424 38.905 38.460 0.035 0.000 1.115 834 Y HN 0.243 nan 8.280 nan 0.000 0.505 835 Q N 2.634 122.301 119.800 -0.221 0.000 2.030 835 Q HA -0.149 4.187 4.340 -0.006 0.000 0.204 835 Q C 1.800 177.580 176.000 -0.367 0.000 0.986 835 Q CA 2.704 58.373 55.803 -0.224 0.000 0.843 835 Q CB -1.156 27.512 28.738 -0.117 0.000 0.904 835 Q HN 0.926 nan 8.270 nan 0.000 0.420 836 E N 0.358 120.219 120.200 -0.565 0.000 2.267 836 E HA 0.066 4.412 4.350 -0.006 0.000 0.197 836 E C 2.302 178.648 176.600 -0.423 0.000 0.998 836 E CA 1.373 57.511 56.400 -0.437 0.000 0.830 836 E CB -1.171 28.360 29.700 -0.281 0.000 0.751 836 E HN 0.839 nan 8.360 nan 0.000 0.491 837 G N -0.099 108.257 108.800 -0.739 0.000 2.484 837 G HA2 -0.100 3.857 3.960 -0.006 0.000 0.218 837 G HA3 -0.100 3.857 3.960 -0.006 0.000 0.218 837 G C 1.865 176.749 174.900 -0.026 0.000 1.130 837 G CA 1.378 46.431 45.100 -0.079 0.000 0.784 837 G HN 0.493 nan 8.290 nan 0.000 0.543 838 T N 1.340 115.844 114.554 -0.083 0.000 2.915 838 T HA -0.130 4.216 4.350 -0.006 0.000 0.269 838 T C 2.740 177.424 174.700 -0.027 0.000 1.071 838 T CA 1.739 63.828 62.100 -0.019 0.000 1.132 838 T CB -0.429 68.425 68.868 -0.023 0.000 0.878 838 T HN 0.541 nan 8.240 nan 0.000 0.479 839 T N 0.515 115.037 114.554 -0.053 0.000 2.962 839 T HA 0.125 4.471 4.350 -0.006 0.000 0.270 839 T C 0.859 175.523 174.700 -0.061 0.000 1.088 839 T CA 0.376 62.449 62.100 -0.045 0.000 1.127 839 T CB -0.554 68.289 68.868 -0.042 0.000 0.883 839 T HN 0.243 nan 8.240 nan 0.000 0.493 840 L N 1.378 122.547 121.223 -0.091 0.000 2.439 840 L HA 0.650 4.986 4.340 -0.006 0.000 0.261 840 L C 0.309 177.044 176.870 -0.225 0.000 1.153 840 L CA -0.791 53.945 54.840 -0.172 0.000 0.808 840 L CB 0.857 42.755 42.059 -0.267 0.000 1.126 840 L HN 0.320 nan 8.230 nan 0.000 0.460 841 A N 1.270 123.914 122.820 -0.292 0.000 2.549 841 A HA 0.678 4.994 4.320 -0.006 0.000 0.297 841 A C -1.226 176.107 177.584 -0.419 0.000 1.061 841 A CA -0.600 51.238 52.037 -0.331 0.000 0.690 841 A CB 0.834 19.728 19.000 -0.177 0.000 1.287 841 A HN 0.382 nan 8.150 nan 0.000 0.402 842 F N 0.949 120.744 119.950 -0.259 0.000 2.504 842 F HA 0.326 4.849 4.527 -0.007 0.000 0.369 842 F C 1.490 177.138 175.800 -0.254 0.000 1.082 842 F CA 0.733 58.556 58.000 -0.295 0.000 1.216 842 F CB 0.886 39.664 39.000 -0.369 0.000 1.108 842 F HN 0.679 nan 8.300 nan 0.000 0.554 843 Q N 0.721 120.499 119.800 -0.037 0.000 2.127 843 Q HA 0.154 4.490 4.340 -0.006 0.000 0.222 843 Q C -0.058 175.907 176.000 -0.058 0.000 0.794 843 Q CA -0.038 55.729 55.803 -0.060 0.000 1.010 843 Q CB 1.389 30.094 28.738 -0.056 0.000 1.170 843 Q HN 0.665 nan 8.270 nan 0.000 0.479 844 T N -0.262 114.248 114.554 -0.072 0.000 3.435 844 T HA 0.415 4.761 4.350 -0.006 0.000 0.344 844 T C -1.886 172.726 174.700 -0.146 0.000 1.211 844 T CA -0.394 61.652 62.100 -0.090 0.000 1.104 844 T CB 1.452 70.284 68.868 -0.061 0.000 1.196 844 T HN -0.123 nan 8.240 nan 0.000 0.471 845 V N 6.010 125.814 119.914 -0.183 0.000 2.447 845 V HA 0.563 4.680 4.120 -0.006 0.000 0.292 845 V C -0.138 175.805 176.094 -0.252 0.000 1.021 845 V CA -0.891 61.258 62.300 -0.252 0.000 0.850 845 V CB 1.722 33.368 31.823 -0.295 0.000 1.005 845 V HN 0.839 nan 8.190 nan 0.000 0.426 846 K N 5.539 125.789 120.400 -0.251 0.000 2.235 846 K HA 0.703 5.019 4.320 -0.006 0.000 0.266 846 K C -1.345 175.066 176.600 -0.315 0.000 0.980 846 K CA -0.579 55.556 56.287 -0.254 0.000 0.849 846 K CB 1.337 33.710 32.500 -0.211 0.000 1.098 846 K HN 0.633 nan 8.250 nan 0.000 0.445 847 I N 6.193 126.544 120.570 -0.365 0.000 2.389 847 I HA 0.268 4.434 4.170 -0.006 0.000 0.288 847 I C -0.579 175.325 176.117 -0.354 0.000 0.999 847 I CA -0.750 60.297 61.300 -0.421 0.000 1.129 847 I CB 1.433 39.030 38.000 -0.671 0.000 1.288 847 I HN 0.425 nan 8.210 nan 0.000 0.444 848 L N 5.443 126.427 121.223 -0.398 0.000 2.334 848 L HA 0.672 5.008 4.340 -0.006 0.000 0.275 848 L C 0.865 177.477 176.870 -0.429 0.000 1.036 848 L CA -0.773 53.776 54.840 -0.484 0.000 0.807 848 L CB 1.444 43.008 42.059 -0.826 0.000 1.231 848 L HN 0.862 nan 8.230 nan 0.000 0.438 849 G N 2.808 111.520 108.800 -0.148 0.000 2.368 849 G HA2 -0.230 3.726 3.960 -0.006 0.000 0.290 849 G HA3 -0.230 3.726 3.960 -0.006 0.000 0.290 849 G C -0.538 174.421 174.900 0.099 0.000 1.098 849 G CA -0.470 44.726 45.100 0.161 0.000 1.073 849 G HN 0.398 nan 8.290 nan 0.000 0.511 850 L N 0.115 121.386 121.223 0.079 0.000 2.331 850 L HA 0.446 4.782 4.340 -0.006 0.000 0.278 850 L C 1.865 178.819 176.870 0.140 0.000 1.106 850 L CA 0.344 55.259 54.840 0.125 0.000 0.824 850 L CB 1.411 43.575 42.059 0.175 0.000 1.142 850 L HN 0.362 nan 8.230 nan 0.000 0.443 851 T N 0.172 114.803 114.554 0.128 0.000 3.014 851 T HA -0.005 4.341 4.350 -0.006 0.000 0.263 851 T C 0.005 174.761 174.700 0.094 0.000 1.078 851 T CA 0.627 62.787 62.100 0.099 0.000 1.135 851 T CB -0.051 68.864 68.868 0.078 0.000 0.895 851 T HN 0.780 nan 8.240 nan 0.000 0.480 852 D N 0.315 120.772 120.400 0.096 0.000 2.732 852 D HA 0.430 5.066 4.640 -0.006 0.000 0.229 852 D C -0.523 175.768 176.300 -0.016 0.000 1.152 852 D CA -0.724 53.308 54.000 0.052 0.000 0.854 852 D CB 1.150 41.964 40.800 0.023 0.000 1.590 852 D HN 0.193 nan 8.370 nan 0.000 0.468 853 S N -0.181 115.456 115.700 -0.106 0.000 2.593 853 S HA 0.524 4.990 4.470 -0.006 0.000 0.269 853 S C 0.087 174.389 174.600 -0.497 0.000 1.334 853 S CA -0.727 57.163 58.200 -0.516 0.000 1.015 853 S CB 0.757 63.790 63.200 -0.279 0.000 0.912 853 S HN 0.424 nan 8.310 nan 0.000 0.541 854 V N 2.005 121.453 119.914 -0.776 0.000 2.513 854 V HA 0.418 4.534 4.120 -0.006 0.000 0.299 854 V C 0.627 176.649 176.094 -0.119 0.000 1.035 854 V CA -0.558 61.541 62.300 -0.337 0.000 0.889 854 V CB 1.584 33.229 31.823 -0.297 0.000 0.988 854 V HN 1.148 nan 8.190 nan 0.000 0.440 855 T N 2.624 117.157 114.554 -0.035 0.000 3.085 855 T HA 0.147 4.493 4.350 -0.006 0.000 0.241 855 T C 0.283 175.078 174.700 0.158 0.000 0.988 855 T CA 0.320 62.467 62.100 0.078 0.000 1.117 855 T CB 0.387 69.272 68.868 0.028 0.000 0.978 855 T HN 0.722 nan 8.240 nan 0.000 0.454 856 E N 0.821 121.030 120.200 0.014 0.000 2.293 856 E HA 0.572 4.918 4.350 -0.006 0.000 0.270 856 E C -1.759 174.750 176.600 -0.151 0.000 0.879 856 E CA -0.653 55.754 56.400 0.011 0.000 0.756 856 E CB 1.912 31.626 29.700 0.023 0.000 1.208 856 E HN -0.092 nan 8.360 nan 0.000 0.428 857 V N 4.454 124.280 119.914 -0.148 0.000 2.540 857 V HA 0.604 4.720 4.120 -0.006 0.000 0.302 857 V C -0.273 175.837 176.094 0.027 0.000 1.035 857 V CA -0.696 61.521 62.300 -0.138 0.000 0.873 857 V CB 1.683 33.323 31.823 -0.304 0.000 0.992 857 V HN 0.675 nan 8.190 nan 0.000 0.428 858 R N 2.597 123.110 120.500 0.021 0.000 2.750 858 R HA 0.870 5.206 4.340 -0.006 0.000 0.281 858 R C -1.707 174.620 176.300 0.045 0.000 0.972 858 R CA -0.672 55.456 56.100 0.048 0.000 0.912 858 R CB 2.585 32.899 30.300 0.023 0.000 1.187 858 R HN 0.518 nan 8.270 nan 0.000 0.464 859 V N 1.505 121.462 119.914 0.071 0.000 2.577 859 V HA 0.717 4.833 4.120 -0.006 0.000 0.303 859 V C -0.799 175.364 176.094 0.115 0.000 1.042 859 V CA -0.843 61.505 62.300 0.080 0.000 0.872 859 V CB 1.792 33.651 31.823 0.061 0.000 0.998 859 V HN 0.916 nan 8.190 nan 0.000 0.423 860 A N 3.239 126.141 122.820 0.137 0.000 2.371 860 A HA 0.796 5.112 4.320 -0.006 0.000 0.311 860 A C -0.585 177.110 177.584 0.185 0.000 1.068 860 A CA -0.604 51.511 52.037 0.130 0.000 0.744 860 A CB 1.477 20.519 19.000 0.070 0.000 1.239 860 A HN 0.869 nan 8.150 nan 0.000 0.435 861 E N 2.403 122.684 120.200 0.135 0.000 2.266 861 E HA 0.339 4.685 4.350 -0.006 0.000 0.277 861 E C 0.657 177.177 176.600 -0.134 0.000 1.018 861 E CA -0.345 56.014 56.400 -0.069 0.000 0.840 861 E CB 0.524 30.186 29.700 -0.064 0.000 1.082 861 E HN 0.772 nan 8.360 nan 0.000 0.395 862 N N 2.512 121.062 118.700 -0.251 0.000 1.911 862 N HA -0.400 4.336 4.740 -0.006 0.000 0.160 862 N C 0.340 175.813 175.510 -0.061 0.000 0.585 862 N CA 3.030 55.993 53.050 -0.144 0.000 1.293 862 N CB -1.484 36.932 38.487 -0.118 0.000 1.355 862 N HN 0.691 nan 8.380 nan 0.000 0.425 863 N N -0.863 117.814 118.700 -0.038 0.000 2.143 863 N HA 0.437 5.174 4.740 -0.006 0.000 0.222 863 N C 0.617 176.123 175.510 -0.007 0.000 1.264 863 N CA 1.335 54.375 53.050 -0.016 0.000 0.897 863 N CB -0.257 38.222 38.487 -0.012 0.000 1.092 863 N HN 1.018 nan 8.380 nan 0.000 0.516 864 Q N 1.059 120.855 119.800 -0.007 0.000 2.394 864 Q HA 0.382 4.718 4.340 -0.006 0.000 0.303 864 Q C -2.268 173.741 176.000 0.016 0.000 1.117 864 Q CA -0.400 55.407 55.803 0.007 0.000 0.966 864 Q CB -1.228 27.518 28.738 0.013 0.000 1.275 864 Q HN 0.538 nan 8.270 nan 0.000 0.429 865 P HA 0.212 nan 4.420 nan 0.000 0.272 865 P C -0.433 176.886 177.300 0.032 0.000 1.230 865 P CA -0.280 62.832 63.100 0.019 0.000 0.788 865 P CB 0.466 32.175 31.700 0.016 0.000 0.949 866 M N 2.275 121.892 119.600 0.029 0.000 2.162 866 M HA 0.194 4.670 4.480 -0.006 0.000 0.356 866 M C 0.262 176.590 176.300 0.047 0.000 1.303 866 M CA -0.005 55.319 55.300 0.041 0.000 1.116 866 M CB 0.090 32.706 32.600 0.027 0.000 1.632 866 M HN 0.278 nan 8.290 nan 0.000 0.469 867 N N 1.647 120.387 118.700 0.065 0.000 2.489 867 N HA 0.598 5.334 4.740 -0.006 0.000 0.284 867 N C -0.491 175.071 175.510 0.086 0.000 1.158 867 N CA -0.574 52.517 53.050 0.069 0.000 0.965 867 N CB 0.849 39.381 38.487 0.074 0.000 1.195 867 N HN 0.719 nan 8.380 nan 0.000 0.506 868 A N 0.057 122.926 122.820 0.082 0.000 2.425 868 A HA 0.157 4.473 4.320 -0.006 0.000 0.242 868 A C -0.432 177.245 177.584 0.154 0.000 1.077 868 A CA 0.168 52.267 52.037 0.105 0.000 0.781 868 A CB -0.276 18.773 19.000 0.082 0.000 1.020 868 A HN 0.831 nan 8.150 nan 0.000 0.494 869 H N 0.584 119.707 119.070 0.087 0.000 2.589 869 H HA 0.461 5.014 4.556 -0.006 0.000 0.335 869 H C 0.732 176.182 175.328 0.204 0.000 1.019 869 H CA 0.053 56.168 56.048 0.112 0.000 1.213 869 H CB 1.664 31.479 29.762 0.089 0.000 1.472 869 H HN 0.517 nan 8.280 nan 0.000 0.508 870 S N 2.593 118.181 115.700 -0.186 0.000 2.341 870 S HA -0.075 4.391 4.470 -0.006 0.000 0.216 870 S C 0.703 175.282 174.600 -0.034 0.000 1.034 870 S CA 0.110 58.279 58.200 -0.052 0.000 0.964 870 S CB -0.226 62.905 63.200 -0.116 0.000 0.882 870 S HN 0.622 nan 8.310 nan 0.000 0.469 871 N N 2.138 120.730 118.700 -0.180 0.000 2.399 871 N HA 0.338 5.074 4.740 -0.006 0.000 0.284 871 N C -0.861 174.810 175.510 0.268 0.000 1.283 871 N CA 0.042 53.079 53.050 -0.022 0.000 0.972 871 N CB -0.635 37.833 38.487 -0.031 0.000 1.328 871 N HN 0.423 nan 8.380 nan 0.000 0.486 872 F N -0.920 119.071 119.950 0.069 0.000 2.741 872 F HA 0.628 5.152 4.527 -0.007 0.000 0.311 872 F C -1.153 174.671 175.800 0.039 0.000 1.149 872 F CA -0.966 57.076 58.000 0.070 0.000 0.930 872 F CB 1.019 40.080 39.000 0.102 0.000 1.312 872 F HN -0.083 nan 8.300 nan 0.000 0.450 873 T N 1.913 116.610 114.554 0.239 0.000 2.916 873 T HA 0.414 4.760 4.350 -0.006 0.000 0.298 873 T C -2.272 172.600 174.700 0.286 0.000 1.031 873 T CA -0.492 61.672 62.100 0.106 0.000 0.993 873 T CB 1.334 70.209 68.868 0.013 0.000 1.045 873 T HN 0.733 nan 8.240 nan 0.000 0.454 874 Y N 2.536 122.912 120.300 0.126 0.000 2.341 874 Y HA 0.554 5.100 4.550 -0.006 0.000 0.338 874 Y C -1.004 174.915 175.900 0.032 0.000 0.965 874 Y CA -1.298 56.864 58.100 0.103 0.000 1.108 874 Y CB 1.319 39.882 38.460 0.172 0.000 1.180 874 Y HN 0.558 nan 8.280 nan 0.000 0.458 875 D N 4.774 124.763 120.400 -0.686 0.000 2.460 875 D HA 0.384 5.020 4.640 -0.006 0.000 0.232 875 D C 0.398 176.234 176.300 -0.774 0.000 1.079 875 D CA 0.022 53.692 54.000 -0.550 0.000 0.864 875 D CB 1.354 41.980 40.800 -0.290 0.000 1.048 875 D HN 0.716 nan 8.370 nan 0.000 0.523 876 A N 2.652 125.081 122.820 -0.650 0.000 2.121 876 A HA -0.065 4.251 4.320 -0.006 0.000 0.218 876 A C 1.971 179.457 177.584 -0.162 0.000 1.154 876 A CA 1.092 52.919 52.037 -0.350 0.000 0.679 876 A CB -0.127 18.867 19.000 -0.010 0.000 0.795 876 A HN 0.522 nan 8.150 nan 0.000 0.458 877 S N 0.870 116.475 115.700 -0.157 0.000 2.357 877 S HA -0.093 4.373 4.470 -0.006 0.000 0.221 877 S C 1.426 175.972 174.600 -0.090 0.000 1.031 877 S CA 1.367 59.510 58.200 -0.094 0.000 0.982 877 S CB -0.314 62.836 63.200 -0.083 0.000 0.853 877 S HN 0.649 nan 8.310 nan 0.000 0.458 878 N N 0.915 119.541 118.700 -0.123 0.000 2.280 878 N HA 0.203 4.939 4.740 -0.006 0.000 0.192 878 N C 0.776 176.236 175.510 -0.083 0.000 1.109 878 N CA 0.802 53.798 53.050 -0.090 0.000 0.855 878 N CB -0.299 38.129 38.487 -0.098 0.000 0.974 878 N HN 0.528 nan 8.380 nan 0.000 0.482 879 Q N -0.948 118.774 119.800 -0.129 0.000 2.435 879 Q HA -0.163 4.174 4.340 -0.006 0.000 0.312 879 Q C -0.409 175.537 176.000 -0.089 0.000 1.333 879 Q CA 0.939 56.694 55.803 -0.080 0.000 0.883 879 Q CB -2.785 25.980 28.738 0.045 0.000 1.170 879 Q HN 0.153 nan 8.270 nan 0.000 0.443 880 V N -0.131 119.666 119.914 -0.194 0.000 2.513 880 V HA 0.850 4.967 4.120 -0.006 0.000 0.299 880 V C 0.093 176.102 176.094 -0.143 0.000 1.035 880 V CA -0.370 61.828 62.300 -0.170 0.000 0.889 880 V CB 1.890 33.609 31.823 -0.174 0.000 0.988 880 V HN 0.927 nan 8.190 nan 0.000 0.440 881 L N 6.906 128.055 121.223 -0.123 0.000 2.333 881 L HA 0.752 5.088 4.340 -0.006 0.000 0.280 881 L C -0.755 176.031 176.870 -0.140 0.000 1.004 881 L CA -0.236 54.564 54.840 -0.067 0.000 0.820 881 L CB 1.502 43.458 42.059 -0.171 0.000 1.247 881 L HN 0.680 nan 8.230 nan 0.000 0.416 882 L N 4.021 125.213 121.223 -0.050 0.000 2.325 882 L HA 0.696 5.032 4.340 -0.006 0.000 0.281 882 L C -1.125 175.752 176.870 0.011 0.000 1.004 882 L CA -0.494 54.303 54.840 -0.071 0.000 0.823 882 L CB 1.401 43.412 42.059 -0.079 0.000 1.236 882 L HN 0.500 nan 8.230 nan 0.000 0.415 883 I N 4.377 124.917 120.570 -0.050 0.000 2.301 883 I HA 0.622 4.788 4.170 -0.006 0.000 0.292 883 I C 0.690 176.813 176.117 0.011 0.000 1.046 883 I CA -0.185 61.119 61.300 0.006 0.000 1.282 883 I CB 1.315 39.228 38.000 -0.146 0.000 1.409 883 I HN 0.892 nan 8.210 nan 0.000 0.484 884 A N 3.727 126.621 122.820 0.124 0.000 2.269 884 A HA 0.601 4.917 4.320 -0.006 0.000 0.319 884 A C 0.655 178.345 177.584 0.177 0.000 1.110 884 A CA 0.314 52.408 52.037 0.095 0.000 0.847 884 A CB 0.429 19.469 19.000 0.067 0.000 1.161 884 A HN 0.986 nan 8.150 nan 0.000 0.497 885 D N -0.802 119.652 120.400 0.090 0.000 2.737 885 D HA -0.001 4.635 4.640 -0.006 0.000 0.238 885 D C -0.303 176.095 176.300 0.164 0.000 1.157 885 D CA 1.457 55.514 54.000 0.095 0.000 0.694 885 D CB -2.415 38.429 40.800 0.073 0.000 1.021 885 D HN 0.705 nan 8.370 nan 0.000 0.420 886 L N -1.561 119.692 121.223 0.050 0.000 2.440 886 L HA 0.841 5.177 4.340 -0.006 0.000 0.262 886 L C 1.166 178.003 176.870 -0.054 0.000 1.072 886 L CA -0.877 53.955 54.840 -0.013 0.000 0.798 886 L CB 1.477 43.431 42.059 -0.175 0.000 1.307 886 L HN 0.127 nan 8.230 nan 0.000 0.475 887 K N 0.664 120.997 120.400 -0.111 0.000 3.309 887 K HA 0.415 4.731 4.320 -0.006 0.000 0.187 887 K C -1.496 174.933 176.600 -0.284 0.000 1.085 887 K CA 0.035 56.248 56.287 -0.124 0.000 0.867 887 K CB -0.052 32.427 32.500 -0.034 0.000 0.846 887 K HN 0.372 nan 8.250 nan 0.000 0.522 888 L N 1.730 122.666 121.223 -0.478 0.000 2.385 888 L HA 0.314 4.650 4.340 -0.006 0.000 0.285 888 L C -0.277 176.390 176.870 -0.338 0.000 1.125 888 L CA -0.559 53.671 54.840 -1.017 0.000 0.890 888 L CB -0.145 41.384 42.059 -0.884 0.000 1.251 888 L HN 0.234 nan 8.230 nan 0.000 0.445 889 N N 2.528 121.210 118.700 -0.030 0.000 2.497 889 N HA 0.269 5.005 4.740 -0.006 0.000 0.271 889 N C -0.443 175.243 175.510 0.292 0.000 1.142 889 N CA -0.596 52.531 53.050 0.128 0.000 0.965 889 N CB 0.834 39.421 38.487 0.166 0.000 1.077 889 N HN 0.313 nan 8.380 nan 0.000 0.462 890 L N 2.218 123.524 121.223 0.137 0.000 2.601 890 L HA 0.090 4.426 4.340 -0.006 0.000 0.277 890 L C 1.599 178.673 176.870 0.339 0.000 1.219 890 L CA 1.278 56.307 54.840 0.315 0.000 0.915 890 L CB -0.342 41.810 42.059 0.155 0.000 1.160 890 L HN 0.907 nan 8.230 nan 0.000 0.494 891 G N 2.885 111.949 108.800 0.441 0.000 2.481 891 G HA2 -0.151 3.805 3.960 -0.006 0.000 0.200 891 G HA3 -0.151 3.805 3.960 -0.006 0.000 0.200 891 G C 0.538 175.548 174.900 0.183 0.000 1.012 891 G CA -0.358 44.870 45.100 0.212 0.000 0.676 891 G HN 0.488 nan 8.290 nan 0.000 0.488 892 R N 0.150 120.842 120.500 0.319 0.000 2.902 892 R HA 0.624 4.960 4.340 -0.006 0.000 0.258 892 R C -1.044 175.313 176.300 0.095 0.000 1.071 892 R CA -0.929 55.236 56.100 0.108 0.000 1.024 892 R CB 0.804 31.084 30.300 -0.033 0.000 1.184 892 R HN 0.142 nan 8.270 nan 0.000 0.492 893 N N 0.480 119.041 118.700 -0.232 0.000 2.487 893 N HA 0.459 5.195 4.740 -0.006 0.000 0.292 893 N C -1.250 173.930 175.510 -0.550 0.000 1.108 893 N CA 0.015 52.989 53.050 -0.127 0.000 0.956 893 N CB 0.823 39.285 38.487 -0.041 0.000 1.176 893 N HN 0.268 nan 8.380 nan 0.000 0.484 894 F N -0.881 119.172 119.950 0.172 0.000 2.626 894 F HA 0.486 5.010 4.527 -0.007 0.000 0.311 894 F C 0.155 176.002 175.800 0.078 0.000 1.088 894 F CA -0.729 57.335 58.000 0.108 0.000 0.949 894 F CB 1.902 40.959 39.000 0.095 0.000 1.322 894 F HN 0.129 nan 8.300 nan 0.000 0.461 895 S N 0.874 116.722 115.700 0.246 0.000 2.521 895 S HA 0.829 5.295 4.470 -0.006 0.000 0.295 895 S C -1.431 173.234 174.600 0.108 0.000 1.098 895 S CA -0.636 57.646 58.200 0.136 0.000 0.999 895 S CB 1.953 65.197 63.200 0.073 0.000 1.034 895 S HN 0.336 nan 8.310 nan 0.000 0.483 896 V N 3.895 123.857 119.914 0.081 0.000 2.531 896 V HA 0.526 4.642 4.120 -0.006 0.000 0.301 896 V C -0.490 175.648 176.094 0.074 0.000 1.034 896 V CA -0.691 61.663 62.300 0.090 0.000 0.865 896 V CB 1.757 33.643 31.823 0.105 0.000 0.995 896 V HN 0.784 nan 8.190 nan 0.000 0.424 897 Q N 2.805 122.618 119.800 0.022 0.000 2.345 897 Q HA 0.597 4.933 4.340 -0.006 0.000 0.268 897 Q C -1.342 174.672 176.000 0.024 0.000 1.054 897 Q CA -0.636 55.068 55.803 -0.165 0.000 0.835 897 Q CB 3.172 31.809 28.738 -0.169 0.000 1.339 897 Q HN 0.842 nan 8.270 nan 0.000 0.447 898 W N 0.000 121.211 121.300 -0.149 0.000 2.388 898 W HA 0.000 4.656 4.660 -0.006 0.000 0.303 898 W CA 0.000 57.220 57.345 -0.208 0.000 1.226 898 W CB 0.000 29.321 29.460 -0.232 0.000 1.126 898 W HN 0.000 nan 8.180 nan 0.000 0.535