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 3ai7_1_A DATA FIRST_RESID 2 DATA SEQUENCE TSPVIGTPWK KLNAPVSEEA LEGVDKYWRV ANYLSIGQIY LRSNPLMKEP DATA SEQUENCE FTREDVKHRL VGHWGTTPGL NFLIGHINRF IADHGQNTVI IMGPGHGGPA DATA SEQUENCE GTSQSYLDGT YTETFPKITK DEAGLQKFFR QFSYPGGIPS HFAPETPGSI DATA SEQUENCE HEGGELGYAL SHAYGAIMDN PSLFVPAIVG DGEAETGPLA TGWQSNKLVN DATA SEQUENCE PRTDGIVLPI LHLNGYKIAN PTILSRISDE ELHEFFHGMG YEPYEFVAGF DATA SEQUENCE DDEDHMSIHR RFAELWETIW DEICDIKATA QTDNVHRPFY PMLIFRTPKG DATA SEQUENCE WTCPKYIDGK KTEGSWRSHQ VPLASARDTE AHFEVLKNWL ESYKPEELFD DATA SEQUENCE ANGAVKDDVL AFMPKGELRI GANPNANGGV IRNDLKLPNL EDYEVKEVAE DATA SEQUENCE YGHGWGQLEA TRTLGAYTRD IIKNNPRDFR IFGPDETASN RLQASYEVTN DATA SEQUENCE KQWDAGYISD EVDEHMHVSG QVVEQLSEHQ MEGFLEAYLL TGRHGIWSSY DATA SEQUENCE ESFVHVIDSM LNQHAKWLEA TVREIPWRKP IASMNLLVSS HVWRQDHNGF DATA SEQUENCE SHQDPGVTSV LLNKCFHNDH VIGIYFATDA NMLLAIAEKC YKSTNKINAI DATA SEQUENCE IAGKQPAATW LTLDEARAEL EKGAAAWDWA STAKNNDEAE VVLAAAGDVP DATA SEQUENCE TQEIMAASDK LKELGVKFKV VNVADLLSLQ SAKENDEALT DEEFADIFTA DATA SEQUENCE DKPVLFAYHS YAHDVRGLIY DRPNHDNFNV HGYEEEGSTT TPYDMVRVNR DATA SEQUENCE IDRYELTAEA LRMIDADKYA DKIDELEKFR DEAFQFAVDN GYDHPDYTDW DATA SEQUENCE VYSGVNTDKK GAV 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.732 174.700 0.053 0.000 1.109 2 T CA 0.000 62.141 62.100 0.068 0.000 1.349 2 T CB 0.000 68.913 68.868 0.076 0.000 0.612 3 S N 3.534 119.264 115.700 0.051 0.000 2.558 3 S HA 0.307 4.813 4.470 0.061 0.000 0.291 3 S C -1.867 172.767 174.600 0.056 0.000 1.306 3 S CA -0.401 57.828 58.200 0.048 0.000 1.056 3 S CB -0.263 62.977 63.200 0.068 0.000 0.836 3 S HN 0.782 nan 8.310 nan 0.000 0.504 4 P HA 0.164 nan 4.420 nan 0.000 0.276 4 P C -0.861 176.469 177.300 0.049 0.000 1.230 4 P CA -0.392 62.734 63.100 0.043 0.000 0.776 4 P CB 0.420 32.140 31.700 0.034 0.000 0.888 5 V N 5.610 125.552 119.914 0.047 0.000 2.397 5 V HA 0.113 4.270 4.120 0.061 0.000 0.262 5 V C 0.821 176.928 176.094 0.021 0.000 1.047 5 V CA 0.086 62.413 62.300 0.046 0.000 1.003 5 V CB -0.508 31.347 31.823 0.053 0.000 1.037 5 V HN 0.394 nan 8.190 nan 0.000 0.480 6 I N 4.952 125.525 120.570 0.006 0.000 2.377 6 I HA 0.695 4.901 4.170 0.061 0.000 0.293 6 I C 1.078 177.170 176.117 -0.042 0.000 0.987 6 I CA 0.257 61.550 61.300 -0.012 0.000 1.185 6 I CB 1.366 39.361 38.000 -0.008 0.000 1.341 6 I HN 0.811 nan 8.210 nan 0.000 0.455 7 G N 4.835 113.610 108.800 -0.042 0.000 2.539 7 G HA2 -0.236 3.760 3.960 0.061 0.000 0.256 7 G HA3 -0.236 3.760 3.960 0.061 0.000 0.256 7 G C 0.007 174.872 174.900 -0.058 0.000 1.233 7 G CA 0.073 45.137 45.100 -0.060 0.000 0.936 7 G HN 0.857 nan 8.290 nan 0.000 0.571 8 T N -0.350 114.158 114.554 -0.076 0.000 3.150 8 T HA 0.676 5.062 4.350 0.061 0.000 0.383 8 T C -2.456 172.196 174.700 -0.080 0.000 1.313 8 T CA -0.674 61.396 62.100 -0.050 0.000 1.235 8 T CB 2.438 71.291 68.868 -0.025 0.000 1.088 8 T HN 0.649 nan 8.240 nan 0.000 0.556 9 P HA 0.268 nan 4.420 nan 0.000 0.281 9 P C -0.387 176.772 177.300 -0.235 0.000 1.249 9 P CA -0.268 62.560 63.100 -0.453 0.000 0.810 9 P CB 0.405 31.672 31.700 -0.722 0.000 1.008 10 W N -0.425 121.055 121.300 0.301 0.000 4.949 10 W HA -0.169 4.524 4.660 0.055 0.000 0.380 10 W C -0.055 176.553 176.519 0.148 0.000 1.446 10 W CA -0.151 57.262 57.345 0.113 0.000 0.869 10 W CB -2.047 27.382 29.460 -0.052 0.000 2.591 10 W HN 0.195 nan 8.180 nan 0.000 1.398 11 K N 1.212 121.902 120.400 0.482 0.000 2.206 11 K HA 0.420 4.777 4.320 0.061 0.000 0.264 11 K C 0.581 177.555 176.600 0.623 0.000 0.967 11 K CA -0.888 55.634 56.287 0.392 0.000 0.844 11 K CB 1.358 34.004 32.500 0.244 0.000 1.099 11 K HN 0.022 nan 8.250 nan 0.000 0.441 12 K N 1.628 122.256 120.400 0.381 0.000 2.258 12 K HA 0.053 4.409 4.320 0.061 0.000 0.264 12 K C 1.272 178.055 176.600 0.305 0.000 1.007 12 K CA -0.381 56.150 56.287 0.406 0.000 0.941 12 K CB 0.592 33.212 32.500 0.200 0.000 0.966 12 K HN 0.231 nan 8.250 nan 0.000 0.480 13 L N 2.516 123.929 121.223 0.317 0.000 2.095 13 L HA -0.045 4.331 4.340 0.061 0.000 0.204 13 L C -0.189 176.711 176.870 0.049 0.000 1.080 13 L CA 1.609 56.474 54.840 0.043 0.000 0.759 13 L CB -0.745 41.366 42.059 0.088 0.000 0.914 13 L HN 0.863 nan 8.230 nan 0.000 0.439 14 N N -0.995 117.762 118.700 0.094 0.000 2.725 14 N HA -0.125 4.651 4.740 0.061 0.000 0.249 14 N C -0.325 175.212 175.510 0.044 0.000 1.103 14 N CA 0.382 53.470 53.050 0.063 0.000 0.707 14 N CB -1.183 37.334 38.487 0.049 0.000 1.043 14 N HN 0.594 nan 8.380 nan 0.000 0.553 15 A N -1.249 121.602 122.820 0.051 0.000 2.583 15 A HA 0.652 5.008 4.320 0.061 0.000 0.292 15 A C -2.834 174.784 177.584 0.057 0.000 1.045 15 A CA -1.088 50.973 52.037 0.041 0.000 0.672 15 A CB 0.958 19.970 19.000 0.020 0.000 1.283 15 A HN -0.044 nan 8.150 nan 0.000 0.419 16 P HA 0.456 nan 4.420 nan 0.000 0.274 16 P C -0.307 177.031 177.300 0.063 0.000 1.237 16 P CA -0.400 62.741 63.100 0.069 0.000 0.793 16 P CB 0.519 32.258 31.700 0.064 0.000 0.977 17 V N 1.184 121.146 119.914 0.080 0.000 2.655 17 V HA 0.103 4.260 4.120 0.061 0.000 0.300 17 V C 1.008 177.128 176.094 0.044 0.000 1.044 17 V CA -0.066 62.273 62.300 0.066 0.000 1.095 17 V CB 0.337 32.214 31.823 0.089 0.000 0.952 17 V HN 0.768 nan 8.190 nan 0.000 0.485 18 S N 2.527 118.239 115.700 0.020 0.000 2.565 18 S HA 0.144 4.650 4.470 0.061 0.000 0.276 18 S C 0.989 175.593 174.600 0.006 0.000 1.326 18 S CA -0.096 58.112 58.200 0.013 0.000 1.045 18 S CB 1.243 64.444 63.200 0.001 0.000 0.918 18 S HN 0.795 nan 8.310 nan 0.000 0.505 19 E N 1.899 122.109 120.200 0.016 0.000 2.097 19 E HA -0.258 4.128 4.350 0.061 0.000 0.196 19 E C 1.760 178.352 176.600 -0.012 0.000 1.000 19 E CA 2.231 58.640 56.400 0.016 0.000 0.804 19 E CB -0.344 29.373 29.700 0.028 0.000 0.740 19 E HN 0.912 nan 8.360 nan 0.000 0.454 20 E N -0.777 119.414 120.200 -0.015 0.000 2.077 20 E HA -0.199 4.187 4.350 0.061 0.000 0.193 20 E C 1.955 178.516 176.600 -0.065 0.000 0.989 20 E CA 1.061 57.444 56.400 -0.028 0.000 0.800 20 E CB -0.293 29.400 29.700 -0.012 0.000 0.746 20 E HN 0.374 nan 8.360 nan 0.000 0.452 21 A N 0.864 123.644 122.820 -0.066 0.000 1.940 21 A HA -0.174 4.182 4.320 0.061 0.000 0.219 21 A C 2.145 179.539 177.584 -0.317 0.000 1.176 21 A CA 1.188 53.152 52.037 -0.121 0.000 0.631 21 A CB -0.563 18.400 19.000 -0.062 0.000 0.814 21 A HN 0.305 nan 8.150 nan 0.000 0.446 22 L N -1.360 119.728 121.223 -0.226 0.000 2.179 22 L HA -0.107 4.270 4.340 0.061 0.000 0.208 22 L C 2.477 179.157 176.870 -0.316 0.000 1.096 22 L CA 1.203 55.871 54.840 -0.287 0.000 0.779 22 L CB -0.542 41.469 42.059 -0.081 0.000 0.922 22 L HN 0.453 nan 8.230 nan 0.000 0.443 23 E N 0.309 120.397 120.200 -0.187 0.000 2.106 23 E HA -0.143 4.244 4.350 0.061 0.000 0.192 23 E C 2.213 178.679 176.600 -0.223 0.000 0.984 23 E CA 0.951 57.268 56.400 -0.138 0.000 0.806 23 E CB -0.187 29.477 29.700 -0.060 0.000 0.750 23 E HN 0.507 nan 8.360 nan 0.000 0.458 24 G N 0.677 109.294 108.800 -0.304 0.000 2.440 24 G HA2 -0.253 3.743 3.960 0.061 0.000 0.218 24 G HA3 -0.253 3.743 3.960 0.061 0.000 0.218 24 G C 1.701 176.061 174.900 -0.899 0.000 1.154 24 G CA 0.790 45.640 45.100 -0.416 0.000 0.767 24 G HN 0.140 nan 8.290 nan 0.000 0.552 25 V N 1.110 120.309 119.914 -1.192 0.000 2.407 25 V HA -0.163 3.993 4.120 0.061 0.000 0.248 25 V C 2.457 178.119 176.094 -0.720 0.000 1.055 25 V CA 2.280 63.849 62.300 -1.218 0.000 1.049 25 V CB -0.351 30.606 31.823 -1.445 0.000 0.662 25 V HN 0.408 nan 8.190 nan 0.000 0.455 26 D N -0.133 119.920 120.400 -0.579 0.000 2.149 26 D HA -0.135 4.542 4.640 0.061 0.000 0.201 26 D C 2.208 178.547 176.300 0.065 0.000 0.972 26 D CA 1.159 55.093 54.000 -0.111 0.000 0.835 26 D CB -0.040 40.830 40.800 0.116 0.000 0.966 26 D HN 0.347 nan 8.370 nan 0.000 0.476 27 K N -1.027 119.349 120.400 -0.041 0.000 2.057 27 K HA -0.156 4.200 4.320 0.061 0.000 0.206 27 K C 2.070 178.695 176.600 0.042 0.000 1.050 27 K CA 0.968 57.256 56.287 0.002 0.000 0.935 27 K CB -0.333 32.152 32.500 -0.026 0.000 0.715 27 K HN 0.261 nan 8.250 nan 0.000 0.439 28 Y N -0.130 120.152 120.300 -0.030 0.000 2.181 28 Y HA -0.300 4.285 4.550 0.060 0.000 0.288 28 Y C 2.169 178.128 175.900 0.099 0.000 1.146 28 Y CA 1.535 59.675 58.100 0.067 0.000 1.164 28 Y CB -0.138 38.426 38.460 0.173 0.000 0.982 28 Y HN 0.203 nan 8.280 nan 0.000 0.515 29 W N 1.765 123.135 121.300 0.116 0.000 2.355 29 W HA -0.156 4.541 4.660 0.060 0.000 0.309 29 W C 2.340 178.852 176.519 -0.012 0.000 1.206 29 W CA 2.138 59.531 57.345 0.081 0.000 1.284 29 W CB -0.663 28.840 29.460 0.071 0.000 1.145 29 W HN 0.004 nan 8.180 nan 0.000 0.502 30 R N -0.564 119.957 120.500 0.034 0.000 2.083 30 R HA -0.158 4.218 4.340 0.061 0.000 0.237 30 R C 2.278 178.469 176.300 -0.181 0.000 1.137 30 R CA 1.883 57.922 56.100 -0.101 0.000 0.951 30 R CB -1.284 29.053 30.300 0.062 0.000 0.851 30 R HN 0.142 nan 8.270 nan 0.000 0.434 31 V N 0.568 120.385 119.914 -0.161 0.000 2.591 31 V HA -0.093 4.064 4.120 0.061 0.000 0.249 31 V C 2.095 178.100 176.094 -0.149 0.000 1.053 31 V CA 1.709 63.906 62.300 -0.172 0.000 1.068 31 V CB -0.131 31.497 31.823 -0.325 0.000 0.689 31 V HN 0.416 nan 8.190 nan 0.000 0.462 32 A N 0.230 122.876 122.820 -0.289 0.000 1.902 32 A HA -0.221 4.136 4.320 0.061 0.000 0.217 32 A C 1.983 179.476 177.584 -0.152 0.000 1.181 32 A CA 2.059 53.953 52.037 -0.238 0.000 0.623 32 A CB -0.752 18.053 19.000 -0.326 0.000 0.818 32 A HN 0.625 nan 8.150 nan 0.000 0.443 33 N N -1.287 117.266 118.700 -0.245 0.000 2.084 33 N HA -0.183 4.594 4.740 0.061 0.000 0.190 33 N C 1.579 176.795 175.510 -0.490 0.000 1.030 33 N CA 1.754 54.595 53.050 -0.349 0.000 0.849 33 N CB -0.719 37.345 38.487 -0.705 0.000 1.012 33 N HN 0.657 nan 8.380 nan 0.000 0.423 34 Y N 1.656 121.573 120.300 -0.637 0.000 2.128 34 Y HA -0.111 4.475 4.550 0.061 0.000 0.284 34 Y C 2.159 177.903 175.900 -0.261 0.000 1.154 34 Y CA 1.442 59.290 58.100 -0.420 0.000 1.149 34 Y CB -0.361 38.028 38.460 -0.118 0.000 0.976 34 Y HN -0.001 nan 8.280 nan 0.000 0.505 35 L N -1.032 120.241 121.223 0.084 0.000 2.127 35 L HA -0.252 4.124 4.340 0.061 0.000 0.211 35 L C 2.422 179.162 176.870 -0.215 0.000 1.089 35 L CA 1.435 56.352 54.840 0.129 0.000 0.757 35 L CB -0.662 41.579 42.059 0.302 0.000 0.899 35 L HN 0.168 nan 8.230 nan 0.000 0.434 36 S N 0.026 115.584 115.700 -0.236 0.000 2.377 36 S HA -0.030 4.476 4.470 0.061 0.000 0.223 36 S C 1.960 176.357 174.600 -0.337 0.000 1.030 36 S CA 0.919 58.969 58.200 -0.249 0.000 0.970 36 S CB -0.118 63.056 63.200 -0.045 0.000 0.830 36 S HN 0.268 nan 8.310 nan 0.000 0.473 37 I N 1.737 122.035 120.570 -0.454 0.000 2.179 37 I HA -0.124 4.082 4.170 0.061 0.000 0.242 37 I C 2.723 178.421 176.117 -0.698 0.000 1.088 37 I CA 1.160 62.081 61.300 -0.631 0.000 1.357 37 I CB -0.944 36.369 38.000 -1.144 0.000 1.051 37 I HN 0.356 nan 8.210 nan 0.000 0.409 38 G N 0.124 108.229 108.800 -1.157 0.000 2.476 38 G HA2 -0.293 3.704 3.960 0.061 0.000 0.218 38 G HA3 -0.293 3.704 3.960 0.061 0.000 0.218 38 G C 1.577 175.730 174.900 -1.246 0.000 1.164 38 G CA 0.683 44.703 45.100 -1.800 0.000 0.768 38 G HN 0.412 nan 8.290 nan 0.000 0.560 39 Q N -0.348 118.860 119.800 -0.986 0.000 2.135 39 Q HA -0.034 4.342 4.340 0.061 0.000 0.204 39 Q C 2.614 178.482 176.000 -0.219 0.000 0.981 39 Q CA 1.100 56.598 55.803 -0.508 0.000 0.856 39 Q CB -0.176 28.107 28.738 -0.759 0.000 0.902 39 Q HN 0.565 nan 8.270 nan 0.000 0.425 40 I N -1.285 119.131 120.570 -0.257 0.000 2.286 40 I HA -0.231 3.975 4.170 0.061 0.000 0.245 40 I C 1.304 177.275 176.117 -0.244 0.000 1.104 40 I CA 1.186 62.396 61.300 -0.151 0.000 1.397 40 I CB 0.066 37.956 38.000 -0.184 0.000 1.072 40 I HN 0.183 nan 8.210 nan 0.000 0.417 41 Y N -0.321 119.849 120.300 -0.217 0.000 2.507 41 Y HA 0.337 4.923 4.550 0.061 0.000 0.263 41 Y C 0.539 176.381 175.900 -0.098 0.000 1.093 41 Y CA -0.088 57.920 58.100 -0.152 0.000 1.285 41 Y CB 0.538 38.871 38.460 -0.212 0.000 1.115 41 Y HN -0.120 nan 8.280 nan 0.000 0.533 42 L N 1.378 122.609 121.223 0.014 0.000 2.333 42 L HA 0.412 4.789 4.340 0.061 0.000 0.280 42 L C 0.753 177.683 176.870 0.100 0.000 1.004 42 L CA -0.486 54.410 54.840 0.092 0.000 0.820 42 L CB 1.986 44.131 42.059 0.143 0.000 1.247 42 L HN 0.154 nan 8.230 nan 0.000 0.416 43 R N 0.640 121.187 120.500 0.079 0.000 2.254 43 R HA 0.242 4.618 4.340 0.061 0.000 0.193 43 R C 0.418 176.739 176.300 0.035 0.000 0.929 43 R CA 0.144 56.255 56.100 0.018 0.000 1.038 43 R CB 0.346 30.667 30.300 0.034 0.000 1.009 43 R HN 0.598 nan 8.270 nan 0.000 0.512 44 S N -0.555 115.196 115.700 0.084 0.000 2.720 44 S HA 0.292 4.799 4.470 0.061 0.000 0.287 44 S C -0.527 174.157 174.600 0.140 0.000 1.168 44 S CA -0.784 57.464 58.200 0.079 0.000 0.832 44 S CB 1.079 64.312 63.200 0.055 0.000 1.166 44 S HN 0.194 nan 8.310 nan 0.000 0.493 45 N N 1.598 120.357 118.700 0.099 0.000 2.727 45 N HA -0.084 4.692 4.740 0.061 0.000 0.251 45 N C -1.496 174.081 175.510 0.111 0.000 1.040 45 N CA 0.782 53.904 53.050 0.121 0.000 0.712 45 N CB -0.657 37.977 38.487 0.246 0.000 0.912 45 N HN 0.538 nan 8.380 nan 0.000 0.545 46 P HA -0.138 nan 4.420 nan 0.000 0.219 46 P C 1.191 178.530 177.300 0.065 0.000 1.146 46 P CA 1.006 64.154 63.100 0.080 0.000 0.808 46 P CB 0.206 31.631 31.700 -0.459 0.000 0.779 47 L N -1.383 119.769 121.223 -0.118 0.000 2.769 47 L HA 0.312 4.688 4.340 0.061 0.000 0.240 47 L C 0.835 177.574 176.870 -0.217 0.000 1.163 47 L CA -0.177 54.541 54.840 -0.204 0.000 0.962 47 L CB -0.621 41.250 42.059 -0.314 0.000 1.258 47 L HN -0.176 nan 8.230 nan 0.000 0.513 48 M N -0.235 119.186 119.600 -0.298 0.000 2.360 48 M HA -0.240 4.277 4.480 0.061 0.000 0.202 48 M C -0.107 176.089 176.300 -0.174 0.000 0.390 48 M CA 0.826 55.791 55.300 -0.558 0.000 0.470 48 M CB -1.808 30.218 32.600 -0.956 0.000 1.637 48 M HN 0.156 nan 8.290 nan 0.000 0.885 49 K N 1.231 121.599 120.400 -0.053 0.000 2.382 49 K HA 0.230 4.586 4.320 0.061 0.000 0.275 49 K C 0.384 177.032 176.600 0.080 0.000 1.009 49 K CA -0.014 56.276 56.287 0.005 0.000 0.970 49 K CB 0.505 33.003 32.500 -0.003 0.000 0.934 49 K HN 0.170 nan 8.250 nan 0.000 0.479 50 E N 3.743 123.984 120.200 0.068 0.000 2.480 50 E HA -0.026 4.361 4.350 0.061 0.000 0.258 50 E C -1.949 174.697 176.600 0.075 0.000 0.984 50 E CA -1.024 55.429 56.400 0.088 0.000 0.930 50 E CB 0.304 30.038 29.700 0.056 0.000 0.936 50 E HN 0.291 nan 8.360 nan 0.000 0.466 51 P HA 0.122 nan 4.420 nan 0.000 0.290 51 P C -1.326 176.092 177.300 0.196 0.000 1.276 51 P CA -0.263 62.905 63.100 0.113 0.000 0.808 51 P CB 0.477 32.208 31.700 0.052 0.000 0.966 52 F N 3.427 123.423 119.950 0.076 0.000 2.361 52 F HA 0.437 5.000 4.527 0.060 0.000 0.364 52 F C -0.004 175.910 175.800 0.190 0.000 1.117 52 F CA -0.069 58.014 58.000 0.138 0.000 1.071 52 F CB 1.149 40.248 39.000 0.165 0.000 1.188 52 F HN 0.451 nan 8.300 nan 0.000 0.464 53 T N 1.687 116.019 114.554 -0.371 0.000 2.864 53 T HA 0.386 4.772 4.350 0.061 0.000 0.289 53 T C 1.051 175.133 174.700 -1.030 0.000 1.082 53 T CA -0.986 60.664 62.100 -0.750 0.000 1.009 53 T CB 1.789 70.390 68.868 -0.445 0.000 1.234 53 T HN 0.674 nan 8.240 nan 0.000 0.526 54 R N 0.021 119.688 120.500 -1.388 0.000 2.185 54 R HA -0.152 4.225 4.340 0.061 0.000 0.247 54 R C 1.888 177.955 176.300 -0.389 0.000 1.159 54 R CA 1.678 57.298 56.100 -0.800 0.000 0.988 54 R CB -0.348 29.596 30.300 -0.594 0.000 0.871 54 R HN 0.649 nan 8.270 nan 0.000 0.458 55 E N 0.566 120.568 120.200 -0.331 0.000 2.333 55 E HA -0.138 4.248 4.350 0.061 0.000 0.198 55 E C 0.773 177.295 176.600 -0.130 0.000 1.007 55 E CA 1.022 57.307 56.400 -0.191 0.000 0.845 55 E CB -0.038 29.584 29.700 -0.130 0.000 0.766 55 E HN 0.248 nan 8.360 nan 0.000 0.507 56 D N -0.794 119.534 120.400 -0.120 0.000 2.349 56 D HA -0.000 4.676 4.640 0.061 0.000 0.215 56 D C -0.126 176.198 176.300 0.041 0.000 1.016 56 D CA 0.132 54.140 54.000 0.014 0.000 0.870 56 D CB 0.550 41.438 40.800 0.148 0.000 0.917 56 D HN -0.006 nan 8.370 nan 0.000 0.524 57 V N 1.665 121.565 119.914 -0.024 0.000 2.509 57 V HA 0.082 4.239 4.120 0.061 0.000 0.284 57 V C 0.688 176.753 176.094 -0.050 0.000 1.047 57 V CA -0.813 61.504 62.300 0.029 0.000 0.952 57 V CB 1.665 33.532 31.823 0.073 0.000 0.988 57 V HN -0.135 nan 8.190 nan 0.000 0.469 58 K N 3.421 123.832 120.400 0.018 0.000 2.485 58 K HA 0.088 4.445 4.320 0.061 0.000 0.277 58 K C 1.019 177.618 176.600 -0.002 0.000 0.990 58 K CA -0.215 56.095 56.287 0.038 0.000 0.994 58 K CB 0.366 32.923 32.500 0.096 0.000 0.906 58 K HN 0.656 nan 8.250 nan 0.000 0.488 59 H N 2.155 121.265 119.070 0.067 0.000 2.428 59 H HA -0.030 4.562 4.556 0.060 0.000 0.296 59 H C 0.065 175.400 175.328 0.012 0.000 1.062 59 H CA 1.181 57.249 56.048 0.034 0.000 1.350 59 H CB 0.411 30.187 29.762 0.023 0.000 1.403 59 H HN 0.312 nan 8.280 nan 0.000 0.533 60 R N 1.086 121.665 120.500 0.132 0.000 2.360 60 R HA 0.373 4.750 4.340 0.061 0.000 0.318 60 R C -0.702 175.596 176.300 -0.003 0.000 0.950 60 R CA -0.420 55.704 56.100 0.041 0.000 0.837 60 R CB 1.752 32.056 30.300 0.007 0.000 1.165 60 R HN -0.021 nan 8.270 nan 0.000 0.458 61 L N 4.060 125.248 121.223 -0.057 0.000 2.283 61 L HA 0.397 4.773 4.340 0.061 0.000 0.287 61 L C -0.479 176.308 176.870 -0.138 0.000 1.073 61 L CA -0.658 54.088 54.840 -0.157 0.000 0.822 61 L CB 1.002 42.911 42.059 -0.249 0.000 1.186 61 L HN 0.288 nan 8.230 nan 0.000 0.436 62 V N 2.662 122.507 119.914 -0.115 0.000 2.638 62 V HA 0.960 5.116 4.120 0.061 0.000 0.306 62 V C 0.306 176.370 176.094 -0.050 0.000 1.052 62 V CA -0.318 61.929 62.300 -0.089 0.000 0.885 62 V CB 1.697 33.482 31.823 -0.062 0.000 0.999 62 V HN 0.980 nan 8.190 nan 0.000 0.424 63 G N 3.407 112.133 108.800 -0.124 0.000 2.361 63 G HA2 0.241 4.238 3.960 0.061 0.000 0.331 63 G HA3 0.241 4.238 3.960 0.061 0.000 0.331 63 G C -1.704 172.998 174.900 -0.329 0.000 1.324 63 G CA -0.944 44.173 45.100 0.028 0.000 0.984 63 G HN 0.836 nan 8.290 nan 0.000 0.586 64 H N -0.183 118.974 119.070 0.145 0.000 2.800 64 H HA 0.395 4.989 4.556 0.064 0.000 0.322 64 H C 0.381 175.800 175.328 0.152 0.000 0.979 64 H CA -0.701 55.398 56.048 0.086 0.000 1.277 64 H CB 1.485 31.277 29.762 0.049 0.000 1.484 64 H HN 0.624 nan 8.280 nan 0.000 0.512 65 W N 3.706 125.074 121.300 0.113 0.000 2.481 65 W HA -0.007 4.691 4.660 0.064 0.000 0.293 65 W C 1.409 178.046 176.519 0.197 0.000 1.201 65 W CA 1.252 58.700 57.345 0.171 0.000 1.328 65 W CB -0.077 29.548 29.460 0.275 0.000 1.112 65 W HN 0.813 nan 8.180 nan 0.000 0.546 66 G N 0.657 109.499 108.800 0.071 0.000 2.574 66 G HA2 -0.433 3.563 3.960 0.061 0.000 0.220 66 G HA3 -0.433 3.563 3.960 0.061 0.000 0.220 66 G C 1.451 176.306 174.900 -0.076 0.000 1.173 66 G CA 2.056 47.180 45.100 0.040 0.000 0.772 66 G HN 0.330 nan 8.290 nan 0.000 0.585 67 T N -0.518 114.036 114.554 0.001 0.000 3.043 67 T HA 0.018 4.404 4.350 0.061 0.000 0.263 67 T C 2.544 177.264 174.700 0.033 0.000 1.094 67 T CA 1.809 63.960 62.100 0.085 0.000 1.127 67 T CB -0.375 68.523 68.868 0.050 0.000 0.905 67 T HN 0.280 nan 8.240 nan 0.000 0.490 68 T N 2.759 117.166 114.554 -0.245 0.000 2.708 68 T HA -0.027 4.360 4.350 0.061 0.000 0.266 68 T C -0.695 173.855 174.700 -0.250 0.000 1.037 68 T CA 1.274 63.200 62.100 -0.291 0.000 1.146 68 T CB -0.976 67.676 68.868 -0.361 0.000 0.865 68 T HN 0.455 nan 8.240 nan 0.000 0.435 69 P HA 0.039 nan 4.420 nan 0.000 0.221 69 P C 1.723 179.267 177.300 0.406 0.000 1.150 69 P CA 0.976 64.092 63.100 0.028 0.000 0.800 69 P CB -0.433 31.279 31.700 0.021 0.000 0.787 70 G N 0.679 109.693 108.800 0.357 0.000 2.394 70 G HA2 -0.161 3.836 3.960 0.061 0.000 0.215 70 G HA3 -0.161 3.836 3.960 0.061 0.000 0.215 70 G C 1.666 176.631 174.900 0.109 0.000 1.165 70 G CA 0.339 45.700 45.100 0.434 0.000 0.784 70 G HN 0.196 nan 8.290 nan 0.000 0.535 71 L N 0.582 121.818 121.223 0.021 0.000 2.012 71 L HA -0.115 4.262 4.340 0.061 0.000 0.210 71 L C 2.742 179.614 176.870 0.003 0.000 1.073 71 L CA 1.048 55.844 54.840 -0.073 0.000 0.748 71 L CB -0.527 41.489 42.059 -0.073 0.000 0.891 71 L HN 0.120 nan 8.230 nan 0.000 0.431 72 N N -0.031 118.749 118.700 0.133 0.000 2.149 72 N HA -0.236 4.540 4.740 0.061 0.000 0.188 72 N C 1.700 177.350 175.510 0.233 0.000 1.019 72 N CA 1.421 54.636 53.050 0.276 0.000 0.857 72 N CB -0.436 38.279 38.487 0.381 0.000 0.997 72 N HN 0.280 nan 8.380 nan 0.000 0.426 73 F N 1.289 121.135 119.950 -0.173 0.000 2.113 73 F HA -0.036 4.527 4.527 0.059 0.000 0.297 73 F C 2.054 177.578 175.800 -0.459 0.000 1.103 73 F CA 1.024 58.618 58.000 -0.676 0.000 1.248 73 F CB -0.157 38.308 39.000 -0.892 0.000 0.999 73 F HN -0.069 nan 8.300 nan 0.000 0.475 74 L N -0.022 121.082 121.223 -0.197 0.000 2.109 74 L HA -0.182 4.195 4.340 0.061 0.000 0.207 74 L C 2.362 179.015 176.870 -0.362 0.000 1.086 74 L CA 1.122 55.718 54.840 -0.406 0.000 0.760 74 L CB -0.551 41.225 42.059 -0.472 0.000 0.910 74 L HN 0.197 nan 8.230 nan 0.000 0.437 75 I N -0.383 120.038 120.570 -0.249 0.000 2.315 75 I HA -0.167 4.039 4.170 0.061 0.000 0.248 75 I C 2.631 178.469 176.117 -0.466 0.000 1.117 75 I CA 1.228 62.378 61.300 -0.249 0.000 1.404 75 I CB -0.841 37.097 38.000 -0.104 0.000 1.071 75 I HN 0.252 nan 8.210 nan 0.000 0.419 76 G N 0.218 108.649 108.800 -0.614 0.000 2.446 76 G HA2 -0.258 3.739 3.960 0.061 0.000 0.217 76 G HA3 -0.258 3.739 3.960 0.061 0.000 0.217 76 G C 1.588 176.105 174.900 -0.639 0.000 1.168 76 G CA 0.761 45.295 45.100 -0.943 0.000 0.771 76 G HN 0.369 nan 8.290 nan 0.000 0.551 77 H N 0.264 118.938 119.070 -0.661 0.000 2.357 77 H HA 0.043 4.635 4.556 0.060 0.000 0.301 77 H C 2.786 177.760 175.328 -0.591 0.000 1.082 77 H CA 1.182 56.859 56.048 -0.619 0.000 1.342 77 H CB -0.025 29.335 29.762 -0.670 0.000 1.389 77 H HN 0.324 nan 8.280 nan 0.000 0.511 78 I N 0.926 121.206 120.570 -0.484 0.000 2.208 78 I HA -0.290 3.916 4.170 0.061 0.000 0.245 78 I C 2.330 178.370 176.117 -0.128 0.000 1.097 78 I CA 0.849 61.937 61.300 -0.354 0.000 1.363 78 I CB -0.191 37.652 38.000 -0.261 0.000 1.051 78 I HN 0.198 nan 8.210 nan 0.000 0.413 79 N N 0.554 119.135 118.700 -0.199 0.000 2.069 79 N HA -0.209 4.567 4.740 0.061 0.000 0.191 79 N C 1.997 177.472 175.510 -0.058 0.000 1.031 79 N CA 1.071 54.019 53.050 -0.171 0.000 0.852 79 N CB -0.394 37.898 38.487 -0.325 0.000 1.018 79 N HN 0.234 nan 8.380 nan 0.000 0.423 80 R N 0.832 121.390 120.500 0.097 0.000 2.080 80 R HA -0.138 4.238 4.340 0.061 0.000 0.236 80 R C 2.213 178.536 176.300 0.038 0.000 1.137 80 R CA 1.137 57.329 56.100 0.153 0.000 0.943 80 R CB -1.148 29.117 30.300 -0.058 0.000 0.846 80 R HN 0.295 nan 8.270 nan 0.000 0.431 81 F N 1.240 121.102 119.950 -0.148 0.000 2.095 81 F HA -0.195 4.368 4.527 0.059 0.000 0.298 81 F C 2.158 177.918 175.800 -0.066 0.000 1.104 81 F CA 1.738 59.675 58.000 -0.104 0.000 1.232 81 F CB -0.449 38.385 39.000 -0.277 0.000 0.987 81 F HN -0.012 nan 8.300 nan 0.000 0.475 82 I N 0.762 121.129 120.570 -0.339 0.000 2.163 82 I HA -0.345 3.861 4.170 0.061 0.000 0.243 82 I C 2.805 178.731 176.117 -0.319 0.000 1.085 82 I CA 1.366 62.417 61.300 -0.415 0.000 1.347 82 I CB -1.187 36.715 38.000 -0.164 0.000 1.044 82 I HN 0.326 nan 8.210 nan 0.000 0.408 83 A N 0.548 123.242 122.820 -0.210 0.000 1.865 83 A HA -0.267 4.089 4.320 0.061 0.000 0.217 83 A C 1.994 179.477 177.584 -0.169 0.000 1.191 83 A CA 2.277 54.212 52.037 -0.171 0.000 0.623 83 A CB -0.729 18.185 19.000 -0.143 0.000 0.826 83 A HN 0.343 nan 8.150 nan 0.000 0.444 84 D N -1.409 118.898 120.400 -0.156 0.000 2.178 84 D HA -0.102 4.574 4.640 0.061 0.000 0.201 84 D C 1.512 177.615 176.300 -0.327 0.000 0.980 84 D CA 1.165 55.047 54.000 -0.196 0.000 0.842 84 D CB -0.216 40.493 40.800 -0.152 0.000 0.948 84 D HN 0.677 nan 8.370 nan 0.000 0.472 85 H N -1.731 117.111 119.070 -0.381 0.000 2.874 85 H HA 0.248 4.841 4.556 0.062 0.000 0.264 85 H C 0.982 176.132 175.328 -0.296 0.000 1.007 85 H CA 0.600 56.430 56.048 -0.362 0.000 1.207 85 H CB 1.050 30.392 29.762 -0.699 0.000 1.487 85 H HN 0.073 nan 8.280 nan 0.000 0.505 86 G N 2.566 111.245 108.800 -0.201 0.000 2.338 86 G HA2 -0.300 3.697 3.960 0.061 0.000 0.296 86 G HA3 -0.300 3.697 3.960 0.061 0.000 0.296 86 G C 0.081 174.863 174.900 -0.198 0.000 1.040 86 G CA 0.562 45.559 45.100 -0.173 0.000 1.004 86 G HN 0.387 nan 8.290 nan 0.000 0.509 87 Q N 0.050 119.665 119.800 -0.308 0.000 2.296 87 Q HA 0.472 4.848 4.340 0.061 0.000 0.257 87 Q C 0.357 176.266 176.000 -0.151 0.000 0.942 87 Q CA -0.940 54.685 55.803 -0.297 0.000 0.939 87 Q CB 0.680 29.097 28.738 -0.535 0.000 1.198 87 Q HN 0.341 nan 8.270 nan 0.000 0.429 88 N N 2.906 121.532 118.700 -0.124 0.000 2.417 88 N HA 0.051 4.828 4.740 0.061 0.000 0.272 88 N C -1.426 174.126 175.510 0.069 0.000 1.304 88 N CA 0.533 53.561 53.050 -0.037 0.000 0.906 88 N CB 0.310 38.766 38.487 -0.053 0.000 1.135 88 N HN 0.574 nan 8.380 nan 0.000 0.483 89 T N 2.657 117.267 114.554 0.092 0.000 2.991 89 T HA 0.382 4.769 4.350 0.061 0.000 0.303 89 T C -0.833 173.922 174.700 0.092 0.000 1.015 89 T CA -0.573 61.621 62.100 0.156 0.000 1.007 89 T CB 1.297 70.307 68.868 0.237 0.000 1.034 89 T HN 0.135 nan 8.240 nan 0.000 0.446 90 V N 4.796 124.750 119.914 0.066 0.000 2.495 90 V HA 0.565 4.722 4.120 0.061 0.000 0.298 90 V C 0.224 176.332 176.094 0.022 0.000 1.031 90 V CA -1.055 61.284 62.300 0.064 0.000 0.871 90 V CB 1.550 33.413 31.823 0.068 0.000 0.988 90 V HN 0.870 nan 8.190 nan 0.000 0.432 91 I N 3.140 123.752 120.570 0.071 0.000 2.612 91 I HA 0.580 4.786 4.170 0.061 0.000 0.295 91 I C -0.808 175.364 176.117 0.093 0.000 1.011 91 I CA -0.270 61.056 61.300 0.043 0.000 1.326 91 I CB 1.160 39.191 38.000 0.051 0.000 1.427 91 I HN 0.294 nan 8.210 nan 0.000 0.537 92 I N 6.433 127.013 120.570 0.018 0.000 2.355 92 I HA 0.291 4.498 4.170 0.061 0.000 0.288 92 I C -0.108 176.031 176.117 0.037 0.000 0.999 92 I CA -0.537 60.767 61.300 0.006 0.000 1.163 92 I CB 1.477 39.377 38.000 -0.167 0.000 1.316 92 I HN 0.787 nan 8.210 nan 0.000 0.454 93 M N 5.992 125.723 119.600 0.217 0.000 2.497 93 M HA 0.258 4.774 4.480 0.061 0.000 0.336 93 M C 1.164 177.612 176.300 0.247 0.000 1.378 93 M CA -0.102 55.306 55.300 0.180 0.000 1.375 93 M CB 0.588 33.260 32.600 0.121 0.000 1.337 93 M HN 0.781 nan 8.290 nan 0.000 0.461 94 G N 4.758 113.629 108.800 0.118 0.000 2.459 94 G HA2 -0.093 3.904 3.960 0.061 0.000 0.217 94 G HA3 -0.093 3.904 3.960 0.061 0.000 0.217 94 G C -1.823 173.216 174.900 0.232 0.000 1.183 94 G CA 0.248 45.453 45.100 0.176 0.000 0.776 94 G HN 0.535 nan 8.290 nan 0.000 0.552 95 P HA 0.241 nan 4.420 nan 0.000 0.237 95 P C 0.916 178.075 177.300 -0.235 0.000 1.788 95 P CA 0.051 63.104 63.100 -0.078 0.000 1.061 95 P CB 0.494 32.098 31.700 -0.160 0.000 1.967 96 G N 1.509 110.381 108.800 0.121 0.000 2.559 96 G HA2 -0.213 3.784 3.960 0.061 0.000 0.216 96 G HA3 -0.213 3.784 3.960 0.061 0.000 0.216 96 G C 1.122 176.041 174.900 0.032 0.000 1.126 96 G CA 0.200 45.453 45.100 0.254 0.000 0.778 96 G HN 0.517 nan 8.290 nan 0.000 0.543 97 H N -0.287 118.674 119.070 -0.181 0.000 2.555 97 H HA 0.086 4.677 4.556 0.058 0.000 0.269 97 H C 1.937 177.137 175.328 -0.214 0.000 0.988 97 H CA 0.395 56.044 56.048 -0.664 0.000 1.178 97 H CB -0.440 28.838 29.762 -0.806 0.000 1.373 97 H HN 0.176 nan 8.280 nan 0.000 0.588 98 G N 1.144 109.712 108.800 -0.386 0.000 3.374 98 G HA2 0.125 4.121 3.960 0.061 0.000 0.252 98 G HA3 0.125 4.121 3.960 0.061 0.000 0.252 98 G C 1.522 176.374 174.900 -0.079 0.000 1.326 98 G CA 0.080 45.072 45.100 -0.181 0.000 1.133 98 G HN 0.524 nan 8.290 nan 0.000 0.528 99 G N 1.871 110.703 108.800 0.052 0.000 2.606 99 G HA2 -0.270 3.727 3.960 0.061 0.000 0.221 99 G HA3 -0.270 3.727 3.960 0.061 0.000 0.221 99 G C 0.041 174.981 174.900 0.066 0.000 1.152 99 G CA 1.182 46.416 45.100 0.223 0.000 0.765 99 G HN 0.446 nan 8.290 nan 0.000 0.595 100 P HA -0.054 nan 4.420 nan 0.000 0.218 100 P C 2.138 179.332 177.300 -0.177 0.000 1.148 100 P CA 1.918 64.765 63.100 -0.421 0.000 0.822 100 P CB -0.179 31.208 31.700 -0.522 0.000 0.784 101 A N -0.289 122.450 122.820 -0.136 0.000 1.930 101 A HA -0.053 4.304 4.320 0.061 0.000 0.217 101 A C 2.456 179.977 177.584 -0.106 0.000 1.175 101 A CA 1.980 53.957 52.037 -0.100 0.000 0.627 101 A CB -1.779 17.155 19.000 -0.111 0.000 0.815 101 A HN 0.292 nan 8.150 nan 0.000 0.443 102 G N -0.787 107.876 108.800 -0.228 0.000 2.421 102 G HA2 -0.078 3.919 3.960 0.061 0.000 0.217 102 G HA3 -0.078 3.919 3.960 0.061 0.000 0.217 102 G C 1.711 176.756 174.900 0.241 0.000 1.143 102 G CA 1.873 46.798 45.100 -0.291 0.000 0.784 102 G HN 0.648 nan 8.290 nan 0.000 0.541 103 T N -1.438 113.251 114.554 0.225 0.000 2.770 103 T HA -0.044 4.343 4.350 0.061 0.000 0.258 103 T C 2.484 177.348 174.700 0.273 0.000 1.039 103 T CA 1.634 63.883 62.100 0.247 0.000 1.143 103 T CB -0.569 68.360 68.868 0.101 0.000 0.866 103 T HN 0.082 nan 8.240 nan 0.000 0.428 104 S N 1.278 117.113 115.700 0.225 0.000 2.389 104 S HA -0.223 4.284 4.470 0.061 0.000 0.231 104 S C 2.180 176.865 174.600 0.141 0.000 1.052 104 S CA 1.543 59.852 58.200 0.183 0.000 1.053 104 S CB -0.602 62.636 63.200 0.062 0.000 0.886 104 S HN 0.485 nan 8.310 nan 0.000 0.456 105 Q N 0.843 120.745 119.800 0.170 0.000 2.084 105 Q HA -0.075 4.302 4.340 0.061 0.000 0.202 105 Q C 2.393 178.522 176.000 0.214 0.000 0.978 105 Q CA 1.651 57.591 55.803 0.229 0.000 0.844 105 Q CB -0.567 28.293 28.738 0.203 0.000 0.898 105 Q HN 0.525 nan 8.270 nan 0.000 0.426 106 S N -0.725 115.133 115.700 0.262 0.000 2.395 106 S HA -0.123 4.383 4.470 0.061 0.000 0.225 106 S C 1.846 176.598 174.600 0.254 0.000 1.027 106 S CA 0.639 59.016 58.200 0.295 0.000 0.965 106 S CB -0.379 63.104 63.200 0.471 0.000 0.812 106 S HN 0.527 nan 8.310 nan 0.000 0.482 107 Y N 1.994 122.305 120.300 0.019 0.000 2.181 107 Y HA 0.002 4.587 4.550 0.060 0.000 0.288 107 Y C 1.828 177.659 175.900 -0.115 0.000 1.146 107 Y CA 1.620 59.623 58.100 -0.163 0.000 1.164 107 Y CB -0.320 37.752 38.460 -0.647 0.000 0.982 107 Y HN 0.257 nan 8.280 nan 0.000 0.515 108 L N -0.074 121.139 121.223 -0.018 0.000 2.109 108 L HA -0.147 4.229 4.340 0.061 0.000 0.207 108 L C 1.988 178.812 176.870 -0.077 0.000 1.086 108 L CA 1.577 56.368 54.840 -0.081 0.000 0.760 108 L CB -0.661 41.382 42.059 -0.026 0.000 0.910 108 L HN 0.270 nan 8.230 nan 0.000 0.437 109 D N -0.511 119.882 120.400 -0.012 0.000 2.349 109 D HA -0.002 4.674 4.640 0.061 0.000 0.224 109 D C 1.520 177.773 176.300 -0.078 0.000 1.029 109 D CA 0.877 54.848 54.000 -0.049 0.000 0.879 109 D CB 0.230 41.022 40.800 -0.014 0.000 0.906 109 D HN 0.293 nan 8.370 nan 0.000 0.528 110 G N -0.139 108.603 108.800 -0.096 0.000 2.217 110 G HA2 -0.382 3.614 3.960 0.061 0.000 0.246 110 G HA3 -0.382 3.614 3.960 0.061 0.000 0.246 110 G C 1.288 176.149 174.900 -0.065 0.000 0.990 110 G CA 1.027 46.056 45.100 -0.119 0.000 0.627 110 G HN 0.592 nan 8.290 nan 0.000 0.522 111 T N -2.460 112.083 114.554 -0.019 0.000 2.881 111 T HA -0.112 4.274 4.350 0.061 0.000 0.270 111 T C 1.884 176.582 174.700 -0.003 0.000 1.068 111 T CA 1.819 63.898 62.100 -0.035 0.000 1.131 111 T CB -0.214 68.642 68.868 -0.021 0.000 0.871 111 T HN 0.546 nan 8.240 nan 0.000 0.479 112 Y N 2.304 122.624 120.300 0.033 0.000 2.163 112 Y HA -0.050 4.535 4.550 0.059 0.000 0.288 112 Y C 2.789 178.793 175.900 0.173 0.000 1.136 112 Y CA 1.767 59.987 58.100 0.201 0.000 1.147 112 Y CB -0.613 38.029 38.460 0.302 0.000 0.987 112 Y HN 0.213 nan 8.280 nan 0.000 0.509 113 T N -0.108 114.529 114.554 0.137 0.000 2.821 113 T HA -0.170 4.216 4.350 0.061 0.000 0.267 113 T C 1.573 176.233 174.700 -0.067 0.000 1.046 113 T CA 1.650 63.779 62.100 0.048 0.000 1.139 113 T CB -0.243 68.616 68.868 -0.015 0.000 0.871 113 T HN 0.384 nan 8.240 nan 0.000 0.454 114 E N 0.510 120.639 120.200 -0.118 0.000 2.130 114 E HA -0.121 4.265 4.350 0.061 0.000 0.196 114 E C 2.179 178.599 176.600 -0.299 0.000 0.998 114 E CA 1.512 57.806 56.400 -0.176 0.000 0.806 114 E CB -0.104 29.494 29.700 -0.170 0.000 0.738 114 E HN 0.388 nan 8.360 nan 0.000 0.459 115 T N -0.560 113.713 114.554 -0.469 0.000 3.031 115 T HA 0.074 4.461 4.350 0.061 0.000 0.254 115 T C 0.025 174.105 174.700 -1.032 0.000 1.060 115 T CA 0.429 61.975 62.100 -0.923 0.000 1.135 115 T CB 0.178 68.207 68.868 -1.398 0.000 0.896 115 T HN -0.035 nan 8.240 nan 0.000 0.472 116 F N 1.315 121.054 119.950 -0.353 0.000 2.453 116 F HA 0.388 4.950 4.527 0.058 0.000 0.358 116 F C -2.209 173.534 175.800 -0.094 0.000 1.129 116 F CA -2.692 55.168 58.000 -0.234 0.000 1.200 116 F CB 1.457 40.229 39.000 -0.381 0.000 1.431 116 F HN -0.062 nan 8.300 nan 0.000 0.503 117 P HA -0.136 nan 4.420 nan 0.000 0.225 117 P C 1.073 178.419 177.300 0.077 0.000 1.148 117 P CA 1.302 64.419 63.100 0.028 0.000 0.779 117 P CB 0.199 31.895 31.700 -0.008 0.000 0.780 118 K N -0.896 119.574 120.400 0.118 0.000 2.366 118 K HA 0.041 4.397 4.320 0.061 0.000 0.198 118 K C 0.553 177.245 176.600 0.153 0.000 1.044 118 K CA 0.480 56.839 56.287 0.119 0.000 0.973 118 K CB 0.001 32.574 32.500 0.120 0.000 0.767 118 K HN 0.101 nan 8.250 nan 0.000 0.475 119 I N 3.446 124.150 120.570 0.224 0.000 2.224 119 I HA 0.014 4.221 4.170 0.061 0.000 0.293 119 I C 0.492 176.780 176.117 0.284 0.000 1.155 119 I CA 0.159 61.641 61.300 0.304 0.000 1.297 119 I CB -1.071 37.243 38.000 0.524 0.000 1.487 119 I HN 0.080 nan 8.210 nan 0.000 0.564 120 T N 2.092 116.757 114.554 0.185 0.000 2.847 120 T HA 0.347 4.734 4.350 0.061 0.000 0.279 120 T C 0.476 175.252 174.700 0.128 0.000 0.984 120 T CA -0.859 61.307 62.100 0.111 0.000 0.988 120 T CB 1.448 70.352 68.868 0.060 0.000 1.040 120 T HN 0.358 nan 8.240 nan 0.000 0.528 121 K N 2.500 122.907 120.400 0.011 0.000 2.363 121 K HA 0.334 4.690 4.320 0.061 0.000 0.240 121 K C -0.908 175.704 176.600 0.019 0.000 1.169 121 K CA -0.458 55.804 56.287 -0.041 0.000 1.131 121 K CB -0.287 32.100 32.500 -0.189 0.000 1.771 121 K HN 0.771 nan 8.250 nan 0.000 0.380 122 D N -2.400 118.038 120.400 0.063 0.000 2.779 122 D HA -0.041 4.635 4.640 0.061 0.000 0.331 122 D C 0.575 176.875 176.300 0.001 0.000 1.331 122 D CA -0.835 53.184 54.000 0.031 0.000 0.866 122 D CB 0.413 41.219 40.800 0.010 0.000 1.409 122 D HN 0.001 nan 8.370 nan 0.000 0.486 123 E N -0.443 119.733 120.200 -0.041 0.000 2.051 123 E HA -0.210 4.176 4.350 0.061 0.000 0.192 123 E C 1.863 178.404 176.600 -0.098 0.000 0.991 123 E CA 1.494 57.832 56.400 -0.102 0.000 0.799 123 E CB -0.236 29.407 29.700 -0.094 0.000 0.748 123 E HN 0.478 nan 8.360 nan 0.000 0.449 124 A N 0.559 123.350 122.820 -0.049 0.000 1.930 124 A HA -0.049 4.307 4.320 0.061 0.000 0.217 124 A C 2.361 179.930 177.584 -0.026 0.000 1.175 124 A CA 1.545 53.560 52.037 -0.036 0.000 0.627 124 A CB -0.908 18.085 19.000 -0.011 0.000 0.815 124 A HN 0.438 nan 8.150 nan 0.000 0.443 125 G N -0.294 108.508 108.800 0.004 0.000 2.402 125 G HA2 -0.109 3.887 3.960 0.061 0.000 0.216 125 G HA3 -0.109 3.887 3.960 0.061 0.000 0.216 125 G C 1.475 176.371 174.900 -0.007 0.000 1.162 125 G CA 1.126 46.258 45.100 0.054 0.000 0.777 125 G HN 0.431 nan 8.290 nan 0.000 0.539 126 L N 0.227 121.381 121.223 -0.114 0.000 2.056 126 L HA -0.033 4.343 4.340 0.061 0.000 0.207 126 L C 2.766 179.333 176.870 -0.506 0.000 1.078 126 L CA 2.014 56.632 54.840 -0.370 0.000 0.749 126 L CB -0.426 41.380 42.059 -0.423 0.000 0.901 126 L HN 0.254 nan 8.230 nan 0.000 0.433 127 Q N 0.149 119.752 119.800 -0.328 0.000 2.096 127 Q HA -0.274 4.103 4.340 0.061 0.000 0.204 127 Q C 2.203 178.127 176.000 -0.126 0.000 0.982 127 Q CA 1.986 57.649 55.803 -0.233 0.000 0.850 127 Q CB -0.119 28.548 28.738 -0.117 0.000 0.901 127 Q HN 0.543 nan 8.270 nan 0.000 0.422 128 K N -0.538 119.821 120.400 -0.069 0.000 2.097 128 K HA -0.145 4.211 4.320 0.061 0.000 0.206 128 K C 2.035 178.645 176.600 0.017 0.000 1.049 128 K CA 1.318 57.596 56.287 -0.015 0.000 0.933 128 K CB -0.312 32.212 32.500 0.039 0.000 0.717 128 K HN 0.147 nan 8.250 nan 0.000 0.442 129 F N 0.862 120.712 119.950 -0.167 0.000 2.134 129 F HA -0.191 4.372 4.527 0.059 0.000 0.299 129 F C 1.736 177.535 175.800 -0.001 0.000 1.097 129 F CA 1.298 59.193 58.000 -0.176 0.000 1.264 129 F CB -0.117 38.605 39.000 -0.463 0.000 1.001 129 F HN -0.104 nan 8.300 nan 0.000 0.479 130 F N 0.656 120.504 119.950 -0.170 0.000 2.113 130 F HA -0.075 4.488 4.527 0.060 0.000 0.297 130 F C 2.727 178.390 175.800 -0.227 0.000 1.103 130 F CA 1.507 59.366 58.000 -0.236 0.000 1.248 130 F CB -1.528 37.389 39.000 -0.139 0.000 0.999 130 F HN -0.014 nan 8.300 nan 0.000 0.475 131 R N 0.936 121.410 120.500 -0.044 0.000 2.092 131 R HA -0.178 4.198 4.340 0.061 0.000 0.231 131 R C 2.162 178.204 176.300 -0.430 0.000 1.119 131 R CA 1.576 57.496 56.100 -0.300 0.000 0.970 131 R CB -0.263 29.814 30.300 -0.371 0.000 0.864 131 R HN 0.492 nan 8.270 nan 0.000 0.440 132 Q N -0.700 118.971 119.800 -0.216 0.000 2.369 132 Q HA -0.104 4.272 4.340 0.061 0.000 0.206 132 Q C 0.191 176.180 176.000 -0.019 0.000 0.963 132 Q CA 0.334 56.072 55.803 -0.108 0.000 0.894 132 Q CB -0.296 28.423 28.738 -0.031 0.000 0.965 132 Q HN 0.199 nan 8.270 nan 0.000 0.475 133 F N 2.826 122.671 119.950 -0.175 0.000 2.543 133 F HA 0.083 4.645 4.527 0.058 0.000 0.375 133 F C 0.157 175.959 175.800 0.003 0.000 1.075 133 F CA 0.283 58.198 58.000 -0.141 0.000 1.225 133 F CB 0.410 39.262 39.000 -0.246 0.000 1.099 133 F HN 0.150 nan 8.300 nan 0.000 0.561 134 S N 4.380 119.573 115.700 -0.844 0.000 3.550 134 S HA -0.283 4.223 4.470 0.061 0.000 0.372 134 S C -0.791 173.730 174.600 -0.132 0.000 0.966 134 S CA 1.064 58.933 58.200 -0.551 0.000 1.229 134 S CB -2.114 60.683 63.200 -0.672 0.000 0.917 134 S HN 0.832 nan 8.310 nan 0.000 0.496 135 Y N 0.537 120.721 120.300 -0.194 0.000 2.534 135 Y HA 0.526 5.112 4.550 0.060 0.000 0.345 135 Y C -2.666 173.191 175.900 -0.071 0.000 1.031 135 Y CA -2.078 55.962 58.100 -0.099 0.000 1.022 135 Y CB 1.505 39.929 38.460 -0.060 0.000 1.292 135 Y HN -0.010 nan 8.280 nan 0.000 0.459 136 P HA 0.163 nan 4.420 nan 0.000 0.264 136 P C 0.565 177.873 177.300 0.013 0.000 1.193 136 P CA 1.713 64.708 63.100 -0.175 0.000 0.763 136 P CB 0.768 32.292 31.700 -0.292 0.000 0.810 137 G N 2.159 110.975 108.800 0.027 0.000 2.212 137 G HA2 -0.235 3.761 3.960 0.061 0.000 0.266 137 G HA3 -0.235 3.761 3.960 0.061 0.000 0.266 137 G C 0.648 175.604 174.900 0.094 0.000 0.978 137 G CA 0.340 45.480 45.100 0.067 0.000 0.632 137 G HN 0.860 nan 8.290 nan 0.000 0.537 138 G N -0.037 108.834 108.800 0.119 0.000 3.286 138 G HA2 0.741 4.737 3.960 0.061 0.000 0.173 138 G HA3 0.741 4.737 3.960 0.061 0.000 0.173 138 G C 0.424 175.340 174.900 0.027 0.000 1.704 138 G CA 0.045 45.196 45.100 0.084 0.000 1.041 138 G HN 1.445 nan 8.290 nan 0.000 0.561 139 I N -2.367 118.199 120.570 -0.008 0.000 3.108 139 I HA 0.658 4.865 4.170 0.061 0.000 0.312 139 I C -2.907 173.159 176.117 -0.084 0.000 1.095 139 I CA -2.546 58.747 61.300 -0.011 0.000 1.000 139 I CB 2.198 40.223 38.000 0.040 0.000 1.229 139 I HN 0.152 nan 8.210 nan 0.000 0.454 140 P HA 0.177 nan 4.420 nan 0.000 0.274 140 P C 0.280 177.473 177.300 -0.178 0.000 1.260 140 P CA -0.373 62.697 63.100 -0.049 0.000 0.793 140 P CB 0.660 32.399 31.700 0.064 0.000 1.048 141 S N -2.268 113.380 115.700 -0.085 0.000 2.470 141 S HA 0.007 4.514 4.470 0.061 0.000 0.225 141 S C 0.548 175.323 174.600 0.291 0.000 1.006 141 S CA 0.664 58.815 58.200 -0.082 0.000 0.934 141 S CB -0.788 62.477 63.200 0.109 0.000 0.778 141 S HN 0.427 nan 8.310 nan 0.000 0.517 142 H N -0.452 118.757 119.070 0.231 0.000 2.585 142 H HA 0.501 5.093 4.556 0.060 0.000 0.338 142 H C -0.921 174.647 175.328 0.399 0.000 1.295 142 H CA -1.301 54.931 56.048 0.306 0.000 1.356 142 H CB 0.202 30.112 29.762 0.247 0.000 1.736 142 H HN 0.162 nan 8.280 nan 0.000 0.629 143 F N 1.789 121.944 119.950 0.342 0.000 2.659 143 F HA 0.413 4.975 4.527 0.059 0.000 0.360 143 F C 0.393 176.394 175.800 0.334 0.000 1.218 143 F CA -1.063 57.123 58.000 0.310 0.000 1.317 143 F CB -1.606 37.565 39.000 0.286 0.000 1.697 143 F HN 0.525 nan 8.300 nan 0.000 0.637 144 A N 4.480 127.473 122.820 0.290 0.000 2.429 144 A HA 0.282 4.638 4.320 0.061 0.000 0.242 144 A C -1.222 176.286 177.584 -0.126 0.000 1.088 144 A CA -0.847 51.247 52.037 0.096 0.000 0.784 144 A CB -0.354 18.693 19.000 0.079 0.000 1.038 144 A HN 0.438 nan 8.150 nan 0.000 0.501 145 P HA -0.119 nan 4.420 nan 0.000 0.226 145 P C 0.390 177.481 177.300 -0.349 0.000 1.146 145 P CA 1.175 63.708 63.100 -0.945 0.000 0.773 145 P CB 0.131 30.709 31.700 -1.869 0.000 0.772 146 E N -0.570 119.580 120.200 -0.083 0.000 2.511 146 E HA 0.006 4.393 4.350 0.061 0.000 0.196 146 E C 0.138 177.111 176.600 0.622 0.000 1.066 146 E CA 0.567 57.136 56.400 0.282 0.000 0.871 146 E CB -0.511 29.320 29.700 0.220 0.000 0.863 146 E HN 0.270 nan 8.360 nan 0.000 0.520 147 T N 1.988 116.805 114.554 0.440 0.000 2.771 147 T HA 0.361 4.747 4.350 0.061 0.000 0.281 147 T C -2.544 172.438 174.700 0.471 0.000 0.982 147 T CA -2.027 60.376 62.100 0.505 0.000 0.978 147 T CB 1.585 70.701 68.868 0.414 0.000 0.930 147 T HN -0.199 nan 8.240 nan 0.000 0.447 148 P HA 0.310 nan 4.420 nan 0.000 0.268 148 P C 1.136 178.618 177.300 0.302 0.000 1.205 148 P CA 0.790 64.042 63.100 0.253 0.000 0.771 148 P CB 0.493 32.210 31.700 0.028 0.000 0.858 149 G N 1.346 110.300 108.800 0.256 0.000 2.234 149 G HA2 -0.233 3.763 3.960 0.061 0.000 0.235 149 G HA3 -0.233 3.763 3.960 0.061 0.000 0.235 149 G C 0.466 175.467 174.900 0.168 0.000 0.997 149 G CA 0.148 45.419 45.100 0.285 0.000 0.623 149 G HN 0.738 nan 8.290 nan 0.000 0.514 150 S N 0.617 116.194 115.700 -0.205 0.000 2.513 150 S HA 0.608 5.115 4.470 0.061 0.000 0.276 150 S C 1.224 175.917 174.600 0.155 0.000 1.254 150 S CA -0.047 57.890 58.200 -0.440 0.000 1.053 150 S CB 0.349 63.002 63.200 -0.913 0.000 0.958 150 S HN 1.042 nan 8.310 nan 0.000 0.491 151 I N 2.346 123.010 120.570 0.157 0.000 3.947 151 I HA 0.498 4.705 4.170 0.061 0.000 0.327 151 I C -0.182 175.821 176.117 -0.191 0.000 1.519 151 I CA -0.572 60.757 61.300 0.047 0.000 1.122 151 I CB -0.055 37.921 38.000 -0.039 0.000 1.146 151 I HN 0.690 nan 8.210 nan 0.000 0.442 152 H N 0.328 119.387 119.070 -0.018 0.000 3.179 152 H HA 0.215 4.784 4.556 0.022 0.000 0.331 152 H C 0.235 175.765 175.328 0.336 0.000 1.013 152 H CA -0.394 55.706 56.048 0.087 0.000 1.430 152 H CB 1.601 31.485 29.762 0.203 0.000 1.895 152 H HN 0.212 nan 8.280 nan 0.000 0.468 153 E N 3.704 124.040 120.200 0.226 0.000 2.107 153 E HA 0.058 4.444 4.350 0.061 0.000 0.191 153 E C 1.392 178.167 176.600 0.292 0.000 0.982 153 E CA 1.115 57.717 56.400 0.336 0.000 0.809 153 E CB -0.118 29.788 29.700 0.344 0.000 0.756 153 E HN 1.012 nan 8.360 nan 0.000 0.459 154 G N -0.286 108.496 108.800 -0.030 0.000 2.198 154 G HA2 -0.290 3.706 3.960 0.061 0.000 0.260 154 G HA3 -0.290 3.706 3.960 0.061 0.000 0.260 154 G C 0.661 175.747 174.900 0.311 0.000 1.025 154 G CA 0.493 45.699 45.100 0.176 0.000 0.769 154 G HN 0.530 nan 8.290 nan 0.000 0.507 155 G N -0.449 108.452 108.800 0.167 0.000 2.404 155 G HA2 0.187 4.183 3.960 0.061 0.000 0.213 155 G HA3 0.187 4.183 3.960 0.061 0.000 0.213 155 G C 0.616 175.559 174.900 0.073 0.000 1.189 155 G CA 0.837 45.932 45.100 -0.008 0.000 0.796 155 G HN 0.682 nan 8.290 nan 0.000 0.532 156 E N 0.475 120.733 120.200 0.096 0.000 2.130 156 E HA 0.416 4.803 4.350 0.061 0.000 0.284 156 E C -0.266 176.340 176.600 0.011 0.000 1.018 156 E CA -0.472 55.991 56.400 0.106 0.000 0.817 156 E CB 0.490 30.329 29.700 0.231 0.000 1.078 156 E HN 0.080 nan 8.360 nan 0.000 0.396 157 L N 3.610 124.795 121.223 -0.065 0.000 2.417 157 L HA 0.424 4.801 4.340 0.061 0.000 0.268 157 L C 1.258 177.825 176.870 -0.506 0.000 1.158 157 L CA 0.611 55.366 54.840 -0.142 0.000 0.819 157 L CB 1.070 43.108 42.059 -0.035 0.000 1.112 157 L HN 0.991 nan 8.230 nan 0.000 0.458 158 G N 0.789 109.240 108.800 -0.582 0.000 2.738 158 G HA2 -0.208 3.789 3.960 0.061 0.000 0.195 158 G HA3 -0.208 3.789 3.960 0.061 0.000 0.195 158 G C 0.318 174.800 174.900 -0.696 0.000 1.001 158 G CA -0.389 44.264 45.100 -0.745 0.000 0.759 158 G HN 0.604 nan 8.290 nan 0.000 0.494 159 Y N 1.239 121.512 120.300 -0.045 0.000 2.485 159 Y HA 0.572 5.185 4.550 0.107 0.000 0.260 159 Y C 2.551 178.358 175.900 -0.154 0.000 1.173 159 Y CA 0.439 58.429 58.100 -0.183 0.000 1.252 159 Y CB 0.360 38.603 38.460 -0.363 0.000 1.123 159 Y HN 0.313 nan 8.280 nan 0.000 0.524 160 A N 0.694 123.491 122.820 -0.039 0.000 1.933 160 A HA -0.132 4.224 4.320 0.061 0.000 0.218 160 A C 1.975 179.463 177.584 -0.160 0.000 1.175 160 A CA 1.535 53.422 52.037 -0.251 0.000 0.628 160 A CB -0.587 18.287 19.000 -0.210 0.000 0.814 160 A HN 0.545 nan 8.150 nan 0.000 0.444 161 L N -0.205 120.942 121.223 -0.126 0.000 2.202 161 L HA -0.063 4.314 4.340 0.061 0.000 0.205 161 L C 2.902 179.892 176.870 0.201 0.000 1.083 161 L CA 1.118 55.953 54.840 -0.009 0.000 0.790 161 L CB -0.327 41.662 42.059 -0.116 0.000 0.942 161 L HN 0.552 nan 8.230 nan 0.000 0.452 162 S N -1.497 114.264 115.700 0.101 0.000 2.402 162 S HA -0.198 4.308 4.470 0.061 0.000 0.229 162 S C 1.721 176.530 174.600 0.349 0.000 1.021 162 S CA 0.906 59.239 58.200 0.221 0.000 0.974 162 S CB -0.703 62.412 63.200 -0.141 0.000 0.800 162 S HN 0.503 nan 8.310 nan 0.000 0.484 163 H N 1.517 120.676 119.070 0.149 0.000 2.357 163 H HA 0.123 4.514 4.556 -0.274 0.000 0.301 163 H C 2.655 178.017 175.328 0.057 0.000 1.082 163 H CA 0.781 56.887 56.048 0.096 0.000 1.342 163 H CB -0.238 29.581 29.762 0.095 0.000 1.389 163 H HN 0.578 nan 8.280 nan 0.000 0.511 164 A N 0.928 123.818 122.820 0.117 0.000 1.865 164 A HA -0.228 4.129 4.320 0.061 0.000 0.217 164 A C 1.925 179.464 177.584 -0.076 0.000 1.191 164 A CA 1.589 53.592 52.037 -0.056 0.000 0.623 164 A CB -1.082 17.794 19.000 -0.206 0.000 0.826 164 A HN 0.404 nan 8.150 nan 0.000 0.444 165 Y N 0.131 120.459 120.300 0.046 0.000 2.224 165 Y HA -0.084 4.489 4.550 0.039 0.000 0.289 165 Y C 2.804 178.629 175.900 -0.125 0.000 1.146 165 Y CA 1.062 59.126 58.100 -0.060 0.000 1.182 165 Y CB -0.868 37.528 38.460 -0.107 0.000 0.983 165 Y HN 0.340 nan 8.280 nan 0.000 0.524 166 G N -0.500 108.390 108.800 0.150 0.000 2.422 166 G HA2 -0.244 3.752 3.960 0.061 0.000 0.218 166 G HA3 -0.244 3.752 3.960 0.061 0.000 0.218 166 G C 1.930 176.943 174.900 0.189 0.000 1.146 166 G CA 0.942 46.121 45.100 0.131 0.000 0.769 166 G HN 0.473 nan 8.290 nan 0.000 0.547 167 A N 1.310 124.210 122.820 0.133 0.000 1.940 167 A HA -0.054 4.302 4.320 0.061 0.000 0.219 167 A C 2.386 180.043 177.584 0.121 0.000 1.176 167 A CA 1.641 53.741 52.037 0.104 0.000 0.631 167 A CB -0.445 18.586 19.000 0.052 0.000 0.814 167 A HN 0.837 nan 8.150 nan 0.000 0.446 168 I N -3.724 116.905 120.570 0.099 0.000 3.251 168 I HA 0.173 4.380 4.170 0.061 0.000 0.277 168 I C 0.795 177.000 176.117 0.146 0.000 1.268 168 I CA -0.019 61.354 61.300 0.120 0.000 1.449 168 I CB -0.243 37.805 38.000 0.079 0.000 1.083 168 I HN 0.106 nan 8.210 nan 0.000 0.464 169 M N 2.505 122.204 119.600 0.164 0.000 2.239 169 M HA 0.050 4.567 4.480 0.061 0.000 0.348 169 M C 0.218 176.686 176.300 0.280 0.000 1.239 169 M CA 0.587 55.986 55.300 0.165 0.000 1.114 169 M CB 0.144 32.792 32.600 0.080 0.000 1.641 169 M HN 0.204 nan 8.290 nan 0.000 0.453 170 D N 0.844 121.369 120.400 0.209 0.000 2.882 170 D HA -0.203 4.473 4.640 0.061 0.000 0.229 170 D C -0.395 176.020 176.300 0.192 0.000 1.167 170 D CA 0.983 55.110 54.000 0.212 0.000 0.759 170 D CB -1.343 39.627 40.800 0.283 0.000 1.088 170 D HN 0.608 nan 8.370 nan 0.000 0.425 171 N N -0.103 118.709 118.700 0.187 0.000 2.765 171 N HA 0.138 4.914 4.740 0.061 0.000 0.277 171 N C -1.819 173.829 175.510 0.229 0.000 1.750 171 N CA -1.541 51.617 53.050 0.180 0.000 0.827 171 N CB 0.975 39.561 38.487 0.165 0.000 1.200 171 N HN -0.062 nan 8.380 nan 0.000 0.494 172 P HA -0.067 nan 4.420 nan 0.000 0.225 172 P C 0.767 178.381 177.300 0.524 0.000 1.148 172 P CA 0.856 64.135 63.100 0.300 0.000 0.779 172 P CB 0.281 32.112 31.700 0.218 0.000 0.780 173 S N -1.777 114.159 115.700 0.393 0.000 2.556 173 S HA 0.132 4.638 4.470 0.061 0.000 0.216 173 S C 0.591 175.296 174.600 0.175 0.000 0.970 173 S CA -0.505 57.867 58.200 0.287 0.000 0.912 173 S CB -0.822 62.429 63.200 0.085 0.000 0.790 173 S HN 0.005 nan 8.310 nan 0.000 0.504 174 L N 1.975 123.409 121.223 0.353 0.000 2.312 174 L HA 0.678 5.054 4.340 0.061 0.000 0.281 174 L C -0.915 176.275 176.870 0.533 0.000 1.070 174 L CA -0.767 54.245 54.840 0.288 0.000 0.805 174 L CB 1.000 43.186 42.059 0.212 0.000 1.174 174 L HN 0.270 nan 8.230 nan 0.000 0.434 175 F N 5.538 125.631 119.950 0.237 0.000 2.458 175 F HA 0.634 5.202 4.527 0.068 0.000 0.336 175 F C -0.982 174.957 175.800 0.232 0.000 1.114 175 F CA -0.950 57.278 58.000 0.381 0.000 0.987 175 F CB 1.591 40.834 39.000 0.405 0.000 1.130 175 F HN 0.147 nan 8.300 nan 0.000 0.458 176 V N 7.925 127.657 119.914 -0.303 0.000 2.305 176 V HA 0.324 4.480 4.120 0.061 0.000 0.275 176 V C -2.354 173.361 176.094 -0.631 0.000 1.020 176 V CA -1.819 60.246 62.300 -0.391 0.000 0.811 176 V CB 1.077 32.788 31.823 -0.187 0.000 1.031 176 V HN 0.578 nan 8.190 nan 0.000 0.439 177 P HA 0.247 nan 4.420 nan 0.000 0.269 177 P C -0.351 176.827 177.300 -0.204 0.000 1.252 177 P CA 0.298 63.166 63.100 -0.386 0.000 0.780 177 P CB 0.715 32.311 31.700 -0.173 0.000 0.829 178 A N 5.421 128.138 122.820 -0.171 0.000 2.273 178 A HA 0.479 4.836 4.320 0.061 0.000 0.320 178 A C 0.008 177.545 177.584 -0.080 0.000 1.358 178 A CA -0.739 51.215 52.037 -0.137 0.000 0.910 178 A CB -0.174 18.722 19.000 -0.174 0.000 1.159 178 A HN 0.463 nan 8.150 nan 0.000 0.526 179 I N 3.154 123.691 120.570 -0.054 0.000 2.325 179 I HA 0.270 4.477 4.170 0.061 0.000 0.291 179 I C -0.482 175.656 176.117 0.035 0.000 1.019 179 I CA -0.283 61.016 61.300 -0.002 0.000 1.302 179 I CB 1.426 39.412 38.000 -0.024 0.000 1.401 179 I HN 0.275 nan 8.210 nan 0.000 0.485 180 V N 5.891 125.858 119.914 0.089 0.000 2.448 180 V HA 0.477 4.633 4.120 0.061 0.000 0.295 180 V C 0.770 176.981 176.094 0.195 0.000 1.025 180 V CA -0.690 61.665 62.300 0.092 0.000 0.859 180 V CB 1.555 33.401 31.823 0.039 0.000 0.988 180 V HN 0.881 nan 8.190 nan 0.000 0.431 181 G N 2.442 111.347 108.800 0.175 0.000 2.544 181 G HA2 0.204 4.201 3.960 0.061 0.000 0.242 181 G HA3 0.204 4.201 3.960 0.061 0.000 0.242 181 G C 0.711 175.718 174.900 0.179 0.000 1.247 181 G CA 0.159 45.368 45.100 0.182 0.000 0.840 181 G HN 0.882 nan 8.290 nan 0.000 0.578 182 D N 0.661 121.150 120.400 0.149 0.000 2.224 182 D HA -0.055 4.621 4.640 0.061 0.000 0.205 182 D C 2.068 178.432 176.300 0.107 0.000 0.965 182 D CA 1.058 55.149 54.000 0.151 0.000 0.852 182 D CB -0.633 40.237 40.800 0.118 0.000 0.947 182 D HN 0.453 nan 8.370 nan 0.000 0.494 183 G N 0.842 109.692 108.800 0.083 0.000 2.404 183 G HA2 -0.287 3.710 3.960 0.061 0.000 0.214 183 G HA3 -0.287 3.710 3.960 0.061 0.000 0.214 183 G C 1.456 176.389 174.900 0.055 0.000 1.189 183 G CA 0.661 45.792 45.100 0.051 0.000 0.789 183 G HN 0.433 nan 8.290 nan 0.000 0.533 184 E N 0.687 120.933 120.200 0.075 0.000 2.147 184 E HA -0.166 4.220 4.350 0.061 0.000 0.199 184 E C 2.534 179.159 176.600 0.042 0.000 1.005 184 E CA 1.209 57.634 56.400 0.043 0.000 0.810 184 E CB -0.310 29.424 29.700 0.058 0.000 0.736 184 E HN 0.338 nan 8.360 nan 0.000 0.460 185 A N 0.615 123.508 122.820 0.123 0.000 2.178 185 A HA -0.162 4.194 4.320 0.061 0.000 0.218 185 A C 1.621 179.308 177.584 0.172 0.000 1.157 185 A CA 1.188 53.356 52.037 0.220 0.000 0.689 185 A CB -0.373 18.889 19.000 0.436 0.000 0.787 185 A HN 0.377 nan 8.150 nan 0.000 0.465 186 E N 0.274 120.525 120.200 0.084 0.000 2.427 186 E HA -0.027 4.360 4.350 0.061 0.000 0.196 186 E C 0.717 177.323 176.600 0.011 0.000 1.028 186 E CA 0.608 57.031 56.400 0.038 0.000 0.864 186 E CB -0.134 29.570 29.700 0.008 0.000 0.813 186 E HN 0.742 nan 8.360 nan 0.000 0.514 187 T N -2.610 111.935 114.554 -0.013 0.000 2.904 187 T HA 0.266 4.652 4.350 0.061 0.000 0.290 187 T C 1.397 176.058 174.700 -0.064 0.000 1.018 187 T CA -0.330 61.731 62.100 -0.065 0.000 1.075 187 T CB 1.758 70.541 68.868 -0.141 0.000 0.986 187 T HN 0.015 nan 8.240 nan 0.000 0.523 188 G N 2.048 110.795 108.800 -0.088 0.000 2.446 188 G HA2 -0.088 3.909 3.960 0.061 0.000 0.217 188 G HA3 -0.088 3.909 3.960 0.061 0.000 0.217 188 G C -0.933 173.878 174.900 -0.148 0.000 1.168 188 G CA 0.563 45.611 45.100 -0.087 0.000 0.771 188 G HN 0.642 nan 8.290 nan 0.000 0.551 189 P HA -0.020 nan 4.420 nan 0.000 0.216 189 P C 2.111 179.297 177.300 -0.191 0.000 1.153 189 P CA 0.253 63.172 63.100 -0.301 0.000 0.844 189 P CB -0.039 31.453 31.700 -0.346 0.000 0.787 190 L N -0.061 121.036 121.223 -0.210 0.000 2.017 190 L HA -0.143 4.234 4.340 0.061 0.000 0.208 190 L C 2.082 178.837 176.870 -0.191 0.000 1.073 190 L CA 2.427 57.126 54.840 -0.235 0.000 0.745 190 L CB -1.624 40.325 42.059 -0.184 0.000 0.894 190 L HN -0.057 nan 8.230 nan 0.000 0.432 191 A N -1.483 121.348 122.820 0.018 0.000 1.948 191 A HA -0.265 4.092 4.320 0.061 0.000 0.220 191 A C 2.351 180.077 177.584 0.238 0.000 1.177 191 A CA 2.457 54.649 52.037 0.258 0.000 0.636 191 A CB -0.985 18.157 19.000 0.237 0.000 0.815 191 A HN 0.503 nan 8.150 nan 0.000 0.449 192 T N -1.360 113.240 114.554 0.077 0.000 3.014 192 T HA 0.136 4.522 4.350 0.061 0.000 0.263 192 T C 1.787 176.500 174.700 0.022 0.000 1.078 192 T CA 1.342 63.482 62.100 0.067 0.000 1.135 192 T CB -0.464 68.418 68.868 0.023 0.000 0.895 192 T HN 0.495 nan 8.240 nan 0.000 0.480 193 G N -0.117 108.640 108.800 -0.072 0.000 2.462 193 G HA2 -0.188 3.808 3.960 0.061 0.000 0.220 193 G HA3 -0.188 3.808 3.960 0.061 0.000 0.220 193 G C 1.215 176.109 174.900 -0.011 0.000 1.121 193 G CA 0.499 45.544 45.100 -0.091 0.000 0.758 193 G HN 0.653 nan 8.290 nan 0.000 0.559 194 W N 0.423 121.798 121.300 0.125 0.000 2.364 194 W HA -0.013 4.701 4.660 0.088 0.000 0.281 194 W C 2.589 179.182 176.519 0.124 0.000 1.219 194 W CA 0.557 58.033 57.345 0.218 0.000 1.220 194 W CB 0.079 29.665 29.460 0.209 0.000 1.127 194 W HN 0.151 nan 8.180 nan 0.000 0.556 195 Q N 0.046 119.968 119.800 0.203 0.000 2.472 195 Q HA -0.038 4.339 4.340 0.061 0.000 0.208 195 Q C 1.882 177.801 176.000 -0.134 0.000 0.958 195 Q CA 0.894 56.712 55.803 0.024 0.000 0.932 195 Q CB -0.472 28.282 28.738 0.027 0.000 1.007 195 Q HN 0.264 nan 8.270 nan 0.000 0.508 196 S N 2.546 118.098 115.700 -0.246 0.000 2.440 196 S HA -0.151 4.355 4.470 0.061 0.000 0.238 196 S C 1.472 175.665 174.600 -0.679 0.000 1.010 196 S CA 1.215 59.132 58.200 -0.473 0.000 0.972 196 S CB -0.331 62.309 63.200 -0.933 0.000 0.774 196 S HN 0.605 nan 8.310 nan 0.000 0.501 197 N N 1.871 120.207 118.700 -0.607 0.000 2.585 197 N HA -0.134 4.643 4.740 0.061 0.000 0.188 197 N C 0.804 176.138 175.510 -0.293 0.000 1.102 197 N CA 0.722 53.520 53.050 -0.421 0.000 0.920 197 N CB -0.298 37.948 38.487 -0.402 0.000 0.963 197 N HN 0.289 nan 8.380 nan 0.000 0.447 198 K N 0.068 120.270 120.400 -0.330 0.000 2.404 198 K HA 0.217 4.574 4.320 0.061 0.000 0.194 198 K C 0.675 177.037 176.600 -0.397 0.000 1.023 198 K CA 0.093 56.139 56.287 -0.402 0.000 1.094 198 K CB 0.512 32.690 32.500 -0.536 0.000 0.841 198 K HN 0.344 nan 8.250 nan 0.000 0.523 199 L N 0.909 121.968 121.223 -0.274 0.000 3.069 199 L HA 0.162 4.538 4.340 0.061 0.000 0.271 199 L C 0.131 176.908 176.870 -0.156 0.000 1.201 199 L CA -0.359 54.377 54.840 -0.174 0.000 1.015 199 L CB 0.872 42.897 42.059 -0.057 0.000 1.371 199 L HN -0.183 nan 8.230 nan 0.000 0.574 200 V N -4.018 115.805 119.914 -0.151 0.000 3.074 200 V HA 0.570 4.727 4.120 0.061 0.000 0.314 200 V C -0.805 175.272 176.094 -0.028 0.000 1.117 200 V CA -0.744 61.507 62.300 -0.081 0.000 1.014 200 V CB 2.347 34.147 31.823 -0.038 0.000 1.057 200 V HN 0.156 nan 8.190 nan 0.000 0.438 201 N N 2.094 120.797 118.700 0.004 0.000 2.296 201 N HA 0.475 5.251 4.740 0.061 0.000 0.294 201 N C -2.248 173.281 175.510 0.032 0.000 1.033 201 N CA -1.822 51.237 53.050 0.015 0.000 0.839 201 N CB 3.235 41.721 38.487 -0.002 0.000 1.395 201 N HN 0.524 nan 8.380 nan 0.000 0.479 202 P HA -0.044 nan 4.420 nan 0.000 0.230 202 P C 0.945 178.203 177.300 -0.071 0.000 1.158 202 P CA 0.756 63.853 63.100 -0.004 0.000 0.769 202 P CB 0.587 32.272 31.700 -0.025 0.000 0.807 203 R N 0.597 121.074 120.500 -0.039 0.000 2.075 203 R HA -0.012 4.365 4.340 0.061 0.000 0.220 203 R C 2.066 178.381 176.300 0.025 0.000 1.118 203 R CA 1.853 57.939 56.100 -0.023 0.000 0.986 203 R CB -0.488 29.804 30.300 -0.015 0.000 0.884 203 R HN 0.145 nan 8.270 nan 0.000 0.439 204 T N -1.550 113.026 114.554 0.037 0.000 3.067 204 T HA 0.100 4.486 4.350 0.061 0.000 0.257 204 T C 0.231 174.983 174.700 0.087 0.000 1.105 204 T CA 0.072 62.212 62.100 0.067 0.000 1.104 204 T CB 0.125 69.033 68.868 0.067 0.000 0.925 204 T HN 0.065 nan 8.240 nan 0.000 0.498 205 D N 0.417 120.861 120.400 0.073 0.000 2.467 205 D HA 0.575 5.251 4.640 0.061 0.000 0.245 205 D C 0.684 177.055 176.300 0.118 0.000 1.038 205 D CA -0.530 53.529 54.000 0.098 0.000 1.038 205 D CB 1.476 42.315 40.800 0.065 0.000 1.278 205 D HN 0.262 nan 8.370 nan 0.000 0.564 206 G N -0.467 108.438 108.800 0.175 0.000 2.546 206 G HA2 0.481 4.477 3.960 0.061 0.000 0.239 206 G HA3 0.481 4.477 3.960 0.061 0.000 0.239 206 G C -0.372 174.614 174.900 0.142 0.000 1.476 206 G CA -0.202 45.071 45.100 0.288 0.000 1.064 206 G HN 0.353 nan 8.290 nan 0.000 0.561 207 I N 0.106 120.842 120.570 0.277 0.000 2.534 207 I HA 0.306 4.513 4.170 0.061 0.000 0.288 207 I C -0.595 175.651 176.117 0.215 0.000 1.077 207 I CA -0.492 60.919 61.300 0.185 0.000 1.051 207 I CB 1.604 39.695 38.000 0.152 0.000 1.234 207 I HN 0.029 nan 8.210 nan 0.000 0.425 208 V N 6.390 126.254 119.914 -0.083 0.000 2.481 208 V HA 0.361 4.518 4.120 0.061 0.000 0.286 208 V C -0.243 175.838 176.094 -0.022 0.000 1.042 208 V CA -0.696 61.466 62.300 -0.231 0.000 0.928 208 V CB 2.264 33.592 31.823 -0.825 0.000 0.986 208 V HN 0.464 nan 8.190 nan 0.000 0.462 209 L N 8.916 130.121 121.223 -0.031 0.000 2.301 209 L HA 0.607 4.983 4.340 0.061 0.000 0.278 209 L C -2.585 174.254 176.870 -0.051 0.000 1.022 209 L CA -1.816 53.050 54.840 0.044 0.000 0.854 209 L CB 1.398 43.523 42.059 0.110 0.000 1.226 209 L HN 0.391 nan 8.230 nan 0.000 0.429 210 P HA 0.295 nan 4.420 nan 0.000 0.276 210 P C -0.922 176.375 177.300 -0.005 0.000 1.230 210 P CA 0.248 63.339 63.100 -0.015 0.000 0.776 210 P CB 0.677 32.422 31.700 0.073 0.000 0.888 211 I N 3.705 124.292 120.570 0.028 0.000 2.411 211 I HA 0.228 4.434 4.170 0.061 0.000 0.284 211 I C -0.419 175.783 176.117 0.142 0.000 1.012 211 I CA -1.018 60.322 61.300 0.067 0.000 1.119 211 I CB 1.566 39.598 38.000 0.052 0.000 1.261 211 I HN 0.143 nan 8.210 nan 0.000 0.448 212 L N 7.067 128.397 121.223 0.178 0.000 2.278 212 L HA 0.239 4.615 4.340 0.061 0.000 0.287 212 L C 0.177 177.267 176.870 0.368 0.000 1.072 212 L CA 0.188 55.195 54.840 0.278 0.000 0.819 212 L CB 0.174 42.375 42.059 0.238 0.000 1.176 212 L HN 0.497 nan 8.230 nan 0.000 0.435 213 H N 5.746 124.968 119.070 0.253 0.000 2.923 213 H HA 0.177 4.768 4.556 0.058 0.000 0.251 213 H C -0.350 175.127 175.328 0.248 0.000 1.741 213 H CA -0.720 55.512 56.048 0.306 0.000 1.387 213 H CB 0.475 30.379 29.762 0.237 0.000 1.740 213 H HN 0.604 nan 8.280 nan 0.000 0.544 214 L N 5.604 127.049 121.223 0.370 0.000 2.480 214 L HA 0.053 4.429 4.340 0.061 0.000 0.243 214 L C 0.686 177.629 176.870 0.121 0.000 1.315 214 L CA -0.222 54.733 54.840 0.192 0.000 1.231 214 L CB -0.377 41.787 42.059 0.176 0.000 1.444 214 L HN 0.649 nan 8.230 nan 0.000 0.409 215 N N 0.314 119.046 118.700 0.054 0.000 2.398 215 N HA 0.160 4.936 4.740 0.061 0.000 0.188 215 N C 1.197 176.780 175.510 0.122 0.000 1.122 215 N CA 0.554 53.638 53.050 0.057 0.000 0.866 215 N CB 0.311 38.776 38.487 -0.037 0.000 0.970 215 N HN 0.454 nan 8.380 nan 0.000 0.462 216 G N -1.686 107.107 108.800 -0.013 0.000 2.217 216 G HA2 -0.252 3.745 3.960 0.061 0.000 0.246 216 G HA3 -0.252 3.745 3.960 0.061 0.000 0.246 216 G C -0.463 173.954 174.900 -0.805 0.000 0.990 216 G CA 0.383 45.294 45.100 -0.314 0.000 0.627 216 G HN 0.406 nan 8.290 nan 0.000 0.522 217 Y N 0.351 120.703 120.300 0.087 0.000 2.588 217 Y HA 0.601 5.188 4.550 0.060 0.000 0.343 217 Y C 0.684 176.632 175.900 0.081 0.000 1.065 217 Y CA -0.626 57.544 58.100 0.117 0.000 1.038 217 Y CB 1.496 40.078 38.460 0.204 0.000 1.297 217 Y HN 0.256 nan 8.280 nan 0.000 0.467 218 K N 0.145 120.660 120.400 0.192 0.000 2.989 218 K HA 0.556 4.912 4.320 0.061 0.000 0.260 218 K C 0.598 177.138 176.600 -0.099 0.000 0.982 218 K CA -0.430 55.876 56.287 0.032 0.000 1.553 218 K CB 0.452 32.937 32.500 -0.026 0.000 3.152 218 K HN 0.508 nan 8.250 nan 0.000 0.970 219 I N 0.281 120.686 120.570 -0.276 0.000 2.277 219 I HA -0.088 4.119 4.170 0.061 0.000 0.243 219 I C 1.478 177.575 176.117 -0.034 0.000 1.094 219 I CA 1.498 62.569 61.300 -0.381 0.000 1.393 219 I CB 0.056 37.878 38.000 -0.297 0.000 1.078 219 I HN 0.672 nan 8.210 nan 0.000 0.417 220 A N -0.136 122.603 122.820 -0.135 0.000 2.568 220 A HA 0.384 4.740 4.320 0.061 0.000 0.287 220 A C -0.122 177.118 177.584 -0.573 0.000 0.967 220 A CA -0.312 51.472 52.037 -0.422 0.000 1.004 220 A CB 0.010 18.778 19.000 -0.388 0.000 1.233 220 A HN 0.275 nan 8.150 nan 0.000 0.513 221 N N 0.222 118.800 118.700 -0.203 0.000 2.710 221 N HA 0.396 5.172 4.740 0.061 0.000 0.257 221 N C -3.414 172.191 175.510 0.159 0.000 1.327 221 N CA -0.860 52.133 53.050 -0.094 0.000 0.861 221 N CB 2.590 41.016 38.487 -0.101 0.000 1.532 221 N HN -0.060 nan 8.380 nan 0.000 0.499 222 P HA 0.164 nan 4.420 nan 0.000 0.277 222 P C -0.350 176.876 177.300 -0.123 0.000 1.276 222 P CA 0.043 63.065 63.100 -0.129 0.000 0.788 222 P CB 0.147 31.769 31.700 -0.130 0.000 1.114 223 T N -3.126 111.313 114.554 -0.191 0.000 2.888 223 T HA 0.454 4.840 4.350 0.061 0.000 0.284 223 T C 1.483 176.124 174.700 -0.099 0.000 1.017 223 T CA -0.771 61.267 62.100 -0.103 0.000 1.022 223 T CB 0.452 69.277 68.868 -0.073 0.000 1.013 223 T HN 0.183 nan 8.240 nan 0.000 0.465 224 I N 1.083 121.609 120.570 -0.074 0.000 2.118 224 I HA -0.205 4.002 4.170 0.061 0.000 0.241 224 I C 2.302 178.363 176.117 -0.094 0.000 1.070 224 I CA 1.624 62.873 61.300 -0.086 0.000 1.327 224 I CB -0.396 37.551 38.000 -0.089 0.000 1.034 224 I HN 0.629 nan 8.210 nan 0.000 0.405 225 L N 0.353 121.535 121.223 -0.068 0.000 2.291 225 L HA -0.115 4.261 4.340 0.061 0.000 0.214 225 L C 2.606 179.459 176.870 -0.028 0.000 1.120 225 L CA 1.258 56.063 54.840 -0.058 0.000 0.799 225 L CB -0.527 41.549 42.059 0.029 0.000 0.925 225 L HN 0.392 nan 8.230 nan 0.000 0.446 226 S N -1.027 114.644 115.700 -0.047 0.000 2.527 226 S HA 0.008 4.515 4.470 0.061 0.000 0.222 226 S C 1.786 176.330 174.600 -0.093 0.000 0.985 226 S CA 0.073 58.233 58.200 -0.066 0.000 0.921 226 S CB 0.070 63.202 63.200 -0.113 0.000 0.772 226 S HN 0.324 nan 8.310 nan 0.000 0.529 227 R N 1.037 121.479 120.500 -0.095 0.000 2.476 227 R HA 0.436 4.813 4.340 0.061 0.000 0.276 227 R C 0.733 176.987 176.300 -0.077 0.000 0.941 227 R CA -0.106 55.940 56.100 -0.090 0.000 1.088 227 R CB -0.096 30.150 30.300 -0.091 0.000 1.216 227 R HN 0.657 nan 8.270 nan 0.000 0.533 228 I N -0.523 120.000 120.570 -0.080 0.000 3.021 228 I HA 0.260 4.467 4.170 0.061 0.000 0.303 228 I C 0.836 176.919 176.117 -0.057 0.000 1.044 228 I CA -0.768 60.485 61.300 -0.077 0.000 1.266 228 I CB 0.761 38.696 38.000 -0.108 0.000 1.447 228 I HN -0.118 nan 8.210 nan 0.000 0.593 229 S N 1.133 116.803 115.700 -0.051 0.000 2.568 229 S HA -0.035 4.472 4.470 0.061 0.000 0.282 229 S C 0.575 175.169 174.600 -0.011 0.000 1.338 229 S CA 0.139 58.316 58.200 -0.039 0.000 1.045 229 S CB 1.068 64.244 63.200 -0.040 0.000 0.873 229 S HN 0.852 nan 8.310 nan 0.000 0.516 230 D N 1.236 121.634 120.400 -0.004 0.000 2.178 230 D HA -0.091 4.586 4.640 0.061 0.000 0.201 230 D C 1.587 177.930 176.300 0.071 0.000 0.980 230 D CA 1.456 55.490 54.000 0.055 0.000 0.842 230 D CB -0.067 40.736 40.800 0.006 0.000 0.948 230 D HN 0.736 nan 8.370 nan 0.000 0.472 231 E N 0.438 120.627 120.200 -0.019 0.000 2.077 231 E HA -0.139 4.248 4.350 0.061 0.000 0.193 231 E C 2.029 178.650 176.600 0.035 0.000 0.989 231 E CA 0.934 57.313 56.400 -0.034 0.000 0.800 231 E CB -0.190 29.476 29.700 -0.057 0.000 0.746 231 E HN 0.450 nan 8.360 nan 0.000 0.452 232 E N -0.003 120.209 120.200 0.021 0.000 2.077 232 E HA -0.174 4.212 4.350 0.061 0.000 0.193 232 E C 1.962 178.593 176.600 0.053 0.000 0.989 232 E CA 0.669 57.077 56.400 0.013 0.000 0.800 232 E CB -0.132 29.542 29.700 -0.044 0.000 0.746 232 E HN 0.080 nan 8.360 nan 0.000 0.452 233 L N 0.959 122.234 121.223 0.086 0.000 2.042 233 L HA -0.224 4.153 4.340 0.061 0.000 0.210 233 L C 2.083 179.107 176.870 0.256 0.000 1.076 233 L CA 1.918 56.842 54.840 0.141 0.000 0.749 233 L CB -0.464 41.713 42.059 0.197 0.000 0.893 233 L HN 0.252 nan 8.230 nan 0.000 0.432 234 H N -0.983 118.169 119.070 0.137 0.000 2.389 234 H HA -0.103 4.491 4.556 0.063 0.000 0.299 234 H C 2.036 177.447 175.328 0.138 0.000 1.081 234 H CA 1.461 57.602 56.048 0.155 0.000 1.345 234 H CB 0.269 30.064 29.762 0.056 0.000 1.393 234 H HN 0.514 nan 8.280 nan 0.000 0.520 235 E N 0.517 120.844 120.200 0.210 0.000 2.051 235 E HA -0.178 4.209 4.350 0.061 0.000 0.192 235 E C 1.950 178.647 176.600 0.161 0.000 0.991 235 E CA 0.961 57.453 56.400 0.154 0.000 0.799 235 E CB -0.197 29.561 29.700 0.096 0.000 0.748 235 E HN 0.253 nan 8.360 nan 0.000 0.449 236 F N 0.745 120.641 119.950 -0.089 0.000 2.065 236 F HA -0.258 4.304 4.527 0.059 0.000 0.298 236 F C 1.761 177.392 175.800 -0.281 0.000 1.112 236 F CA 1.515 59.360 58.000 -0.258 0.000 1.212 236 F CB -0.346 38.368 39.000 -0.477 0.000 0.975 236 F HN -0.058 nan 8.300 nan 0.000 0.476 237 F N -0.593 119.265 119.950 -0.153 0.000 2.259 237 F HA -0.113 4.448 4.527 0.057 0.000 0.298 237 F C 2.819 178.643 175.800 0.041 0.000 1.088 237 F CA 1.640 59.486 58.000 -0.256 0.000 1.358 237 F CB -1.214 37.639 39.000 -0.245 0.000 1.040 237 F HN 0.191 nan 8.300 nan 0.000 0.505 238 H N -0.415 118.747 119.070 0.153 0.000 2.395 238 H HA -0.026 4.567 4.556 0.062 0.000 0.299 238 H C 2.358 177.786 175.328 0.166 0.000 1.070 238 H CA 1.251 57.390 56.048 0.151 0.000 1.356 238 H CB -0.257 29.524 29.762 0.031 0.000 1.401 238 H HN 0.321 nan 8.280 nan 0.000 0.524 239 G N 0.072 108.944 108.800 0.120 0.000 2.471 239 G HA2 -0.168 3.829 3.960 0.061 0.000 0.219 239 G HA3 -0.168 3.829 3.960 0.061 0.000 0.219 239 G C 1.498 176.382 174.900 -0.026 0.000 1.125 239 G CA 0.196 45.329 45.100 0.054 0.000 0.775 239 G HN 0.338 nan 8.290 nan 0.000 0.548 240 M N 0.379 119.938 119.600 -0.069 0.000 2.505 240 M HA 0.267 4.783 4.480 0.061 0.000 0.230 240 M C 1.524 177.725 176.300 -0.165 0.000 1.153 240 M CA 0.537 55.787 55.300 -0.083 0.000 0.997 240 M CB 0.692 33.245 32.600 -0.078 0.000 1.606 240 M HN 0.287 nan 8.290 nan 0.000 0.481 241 G N 0.207 108.934 108.800 -0.121 0.000 2.132 241 G HA2 -0.255 3.741 3.960 0.061 0.000 0.228 241 G HA3 -0.255 3.741 3.960 0.061 0.000 0.228 241 G C -0.497 174.302 174.900 -0.167 0.000 1.000 241 G CA -0.371 44.560 45.100 -0.282 0.000 0.693 241 G HN 0.444 nan 8.290 nan 0.000 0.515 242 Y N -0.515 119.937 120.300 0.253 0.000 2.496 242 Y HA 0.671 5.254 4.550 0.055 0.000 0.331 242 Y C 0.475 176.552 175.900 0.294 0.000 1.140 242 Y CA -1.300 56.974 58.100 0.290 0.000 1.166 242 Y CB 1.444 40.021 38.460 0.196 0.000 1.249 242 Y HN 0.064 nan 8.280 nan 0.000 0.479 243 E N 4.378 124.838 120.200 0.433 0.000 2.035 243 E HA 0.333 4.719 4.350 0.061 0.000 0.271 243 E C -2.825 173.857 176.600 0.136 0.000 0.953 243 E CA -2.791 53.748 56.400 0.232 0.000 0.777 243 E CB 0.672 30.477 29.700 0.176 0.000 1.104 243 E HN 0.139 nan 8.360 nan 0.000 0.408 244 P HA 0.158 nan 4.420 nan 0.000 0.285 244 P C -1.166 176.042 177.300 -0.154 0.000 1.259 244 P CA -0.198 62.870 63.100 -0.053 0.000 0.794 244 P CB 0.487 32.097 31.700 -0.151 0.000 0.940 245 Y N 0.057 120.328 120.300 -0.049 0.000 2.446 245 Y HA 0.452 5.038 4.550 0.059 0.000 0.345 245 Y C 0.798 176.732 175.900 0.057 0.000 0.984 245 Y CA -0.620 57.500 58.100 0.034 0.000 1.058 245 Y CB 2.535 41.010 38.460 0.024 0.000 1.220 245 Y HN 0.351 nan 8.280 nan 0.000 0.455 246 E N 2.672 123.046 120.200 0.291 0.000 2.222 246 E HA 0.479 4.865 4.350 0.061 0.000 0.267 246 E C -2.037 174.779 176.600 0.359 0.000 0.884 246 E CA -0.757 55.810 56.400 0.277 0.000 0.764 246 E CB 1.426 31.289 29.700 0.271 0.000 1.169 246 E HN 0.484 nan 8.360 nan 0.000 0.413 247 F N 4.269 124.352 119.950 0.223 0.000 2.520 247 F HA 0.560 5.123 4.527 0.061 0.000 0.322 247 F C -1.638 174.223 175.800 0.101 0.000 1.103 247 F CA -0.644 57.493 58.000 0.229 0.000 0.926 247 F CB 1.466 40.737 39.000 0.452 0.000 1.154 247 F HN 0.229 nan 8.300 nan 0.000 0.453 248 V N 4.820 124.419 119.914 -0.524 0.000 2.588 248 V HA 0.949 5.105 4.120 0.061 0.000 0.304 248 V C -0.663 175.018 176.094 -0.689 0.000 1.042 248 V CA -0.462 61.585 62.300 -0.422 0.000 0.877 248 V CB 1.094 32.792 31.823 -0.208 0.000 0.996 248 V HN 1.096 nan 8.190 nan 0.000 0.425 249 A N 2.569 125.038 122.820 -0.586 0.000 2.612 249 A HA 0.843 5.199 4.320 0.061 0.000 0.293 249 A C 0.561 177.708 177.584 -0.728 0.000 1.075 249 A CA 0.083 51.797 52.037 -0.540 0.000 0.680 249 A CB 1.517 20.219 19.000 -0.496 0.000 1.279 249 A HN 2.147 nan 8.150 nan 0.000 0.411 250 G N -1.184 107.346 108.800 -0.449 0.000 2.175 250 G HA2 -0.208 3.789 3.960 0.061 0.000 0.244 250 G HA3 -0.208 3.789 3.960 0.061 0.000 0.244 250 G C 0.346 174.921 174.900 -0.542 0.000 0.982 250 G CA 0.760 45.532 45.100 -0.545 0.000 0.641 250 G HN 0.988 nan 8.290 nan 0.000 0.527 251 F N 2.005 121.830 119.950 -0.208 0.000 2.765 251 F HA 0.326 4.889 4.527 0.060 0.000 0.302 251 F C 1.422 177.196 175.800 -0.043 0.000 1.111 251 F CA 0.611 58.535 58.000 -0.126 0.000 1.359 251 F CB 0.286 39.200 39.000 -0.142 0.000 1.097 251 F HN 0.385 nan 8.300 nan 0.000 0.577 252 D N -2.693 117.772 120.400 0.109 0.000 2.904 252 D HA 0.146 4.822 4.640 0.061 0.000 0.290 252 D C -0.084 176.278 176.300 0.102 0.000 1.180 252 D CA -0.571 53.486 54.000 0.096 0.000 1.065 252 D CB -0.011 40.837 40.800 0.080 0.000 1.386 252 D HN -0.297 nan 8.370 nan 0.000 0.599 253 D N -0.607 119.848 120.400 0.092 0.000 2.319 253 D HA 0.032 4.709 4.640 0.061 0.000 0.230 253 D C -0.052 176.316 176.300 0.112 0.000 1.094 253 D CA 0.042 54.099 54.000 0.095 0.000 0.856 253 D CB -0.150 40.688 40.800 0.064 0.000 0.915 253 D HN 0.458 nan 8.370 nan 0.000 0.517 254 E N 2.481 122.760 120.200 0.131 0.000 2.608 254 E HA -0.079 4.307 4.350 0.061 0.000 0.259 254 E C 0.220 176.946 176.600 0.209 0.000 0.951 254 E CA -0.054 56.438 56.400 0.153 0.000 0.945 254 E CB 0.546 30.338 29.700 0.154 0.000 0.916 254 E HN 0.228 nan 8.360 nan 0.000 0.477 255 D N 3.526 124.029 120.400 0.172 0.000 2.357 255 D HA -0.049 4.627 4.640 0.061 0.000 0.242 255 D C 0.544 177.038 176.300 0.323 0.000 1.153 255 D CA -0.046 54.061 54.000 0.179 0.000 0.918 255 D CB 0.611 41.476 40.800 0.109 0.000 1.181 255 D HN 0.659 nan 8.370 nan 0.000 0.435 256 H N -0.268 118.926 119.070 0.206 0.000 2.357 256 H HA -0.100 4.493 4.556 0.062 0.000 0.301 256 H C 2.054 177.485 175.328 0.173 0.000 1.082 256 H CA 0.722 56.906 56.048 0.225 0.000 1.342 256 H CB 0.182 30.144 29.762 0.333 0.000 1.389 256 H HN 0.248 nan 8.280 nan 0.000 0.511 257 M N 0.260 120.089 119.600 0.382 0.000 2.106 257 M HA -0.191 4.326 4.480 0.061 0.000 0.259 257 M C 2.629 179.112 176.300 0.305 0.000 1.068 257 M CA 1.048 56.566 55.300 0.363 0.000 1.100 257 M CB -0.982 31.767 32.600 0.247 0.000 1.351 257 M HN 0.168 nan 8.290 nan 0.000 0.404 258 S N 0.440 116.294 115.700 0.256 0.000 2.359 258 S HA -0.112 4.394 4.470 0.061 0.000 0.224 258 S C 1.974 176.753 174.600 0.298 0.000 1.035 258 S CA 1.125 59.469 58.200 0.241 0.000 1.018 258 S CB -0.230 63.088 63.200 0.196 0.000 0.876 258 S HN 0.421 nan 8.310 nan 0.000 0.448 259 I N 1.306 122.064 120.570 0.313 0.000 2.151 259 I HA -0.243 3.964 4.170 0.061 0.000 0.243 259 I C 2.470 178.894 176.117 0.512 0.000 1.080 259 I CA 1.714 63.269 61.300 0.425 0.000 1.339 259 I CB -0.534 37.694 38.000 0.380 0.000 1.039 259 I HN 0.421 nan 8.210 nan 0.000 0.409 260 H N 0.793 120.160 119.070 0.495 0.000 2.387 260 H HA -0.065 4.527 4.556 0.060 0.000 0.299 260 H C 2.442 177.988 175.328 0.363 0.000 1.090 260 H CA 1.211 57.516 56.048 0.428 0.000 1.332 260 H CB -0.269 29.637 29.762 0.240 0.000 1.386 260 H HN 0.367 nan 8.280 nan 0.000 0.516 261 R N 0.596 121.339 120.500 0.404 0.000 2.075 261 R HA -0.047 4.330 4.340 0.061 0.000 0.232 261 R C 2.549 179.025 176.300 0.293 0.000 1.126 261 R CA 0.840 57.115 56.100 0.293 0.000 0.963 261 R CB -0.072 30.364 30.300 0.227 0.000 0.858 261 R HN 0.290 nan 8.270 nan 0.000 0.435 262 R N -0.288 120.434 120.500 0.369 0.000 2.081 262 R HA -0.124 4.253 4.340 0.061 0.000 0.235 262 R C 2.134 178.666 176.300 0.387 0.000 1.131 262 R CA 1.436 57.781 56.100 0.410 0.000 0.960 262 R CB -0.380 30.235 30.300 0.525 0.000 0.856 262 R HN 0.188 nan 8.270 nan 0.000 0.436 263 F N 1.359 121.415 119.950 0.176 0.000 2.113 263 F HA -0.121 4.441 4.527 0.059 0.000 0.297 263 F C 2.376 178.087 175.800 -0.148 0.000 1.103 263 F CA 1.397 59.183 58.000 -0.356 0.000 1.248 263 F CB -0.218 38.344 39.000 -0.732 0.000 0.999 263 F HN -0.015 nan 8.300 nan 0.000 0.475 264 A N -0.200 122.660 122.820 0.067 0.000 1.940 264 A HA -0.266 4.090 4.320 0.061 0.000 0.219 264 A C 2.178 179.805 177.584 0.071 0.000 1.176 264 A CA 1.918 54.012 52.037 0.095 0.000 0.631 264 A CB -0.988 18.143 19.000 0.219 0.000 0.814 264 A HN 0.608 nan 8.150 nan 0.000 0.446 265 E N -0.611 119.636 120.200 0.078 0.000 2.072 265 E HA -0.180 4.206 4.350 0.061 0.000 0.191 265 E C 1.906 178.520 176.600 0.022 0.000 0.985 265 E CA 1.254 57.703 56.400 0.083 0.000 0.801 265 E CB -0.202 29.569 29.700 0.118 0.000 0.750 265 E HN 0.439 nan 8.360 nan 0.000 0.452 266 L N 1.002 122.198 121.223 -0.044 0.000 2.046 266 L HA -0.153 4.224 4.340 0.061 0.000 0.208 266 L C 2.121 178.832 176.870 -0.266 0.000 1.077 266 L CA 1.831 56.600 54.840 -0.119 0.000 0.747 266 L CB -0.808 41.194 42.059 -0.094 0.000 0.896 266 L HN 0.419 nan 8.230 nan 0.000 0.432 267 W N 0.655 121.624 121.300 -0.552 0.000 2.358 267 W HA -0.187 4.507 4.660 0.057 0.000 0.303 267 W C 2.112 178.491 176.519 -0.234 0.000 1.208 267 W CA 1.782 58.819 57.345 -0.513 0.000 1.274 267 W CB -0.007 29.093 29.460 -0.600 0.000 1.138 267 W HN 0.266 nan 8.180 nan 0.000 0.515 268 E N -0.322 119.938 120.200 0.099 0.000 2.110 268 E HA -0.151 4.236 4.350 0.061 0.000 0.193 268 E C 1.997 178.630 176.600 0.055 0.000 0.988 268 E CA 1.961 58.464 56.400 0.171 0.000 0.804 268 E CB -0.803 29.047 29.700 0.250 0.000 0.745 268 E HN 0.231 nan 8.360 nan 0.000 0.458 269 T N 1.822 116.351 114.554 -0.042 0.000 2.708 269 T HA -0.085 4.301 4.350 0.061 0.000 0.266 269 T C 2.156 176.716 174.700 -0.233 0.000 1.037 269 T CA 0.838 62.892 62.100 -0.076 0.000 1.146 269 T CB -0.227 68.617 68.868 -0.040 0.000 0.865 269 T HN 0.097 nan 8.240 nan 0.000 0.435 270 I N 0.028 120.314 120.570 -0.474 0.000 2.151 270 I HA -0.223 3.984 4.170 0.061 0.000 0.243 270 I C 2.455 178.329 176.117 -0.405 0.000 1.080 270 I CA 1.481 62.376 61.300 -0.674 0.000 1.339 270 I CB -0.301 37.172 38.000 -0.878 0.000 1.039 270 I HN 0.462 nan 8.210 nan 0.000 0.409 271 W N 2.107 123.063 121.300 -0.575 0.000 2.363 271 W HA -0.238 4.456 4.660 0.057 0.000 0.296 271 W C 2.007 178.410 176.519 -0.194 0.000 1.212 271 W CA 1.493 58.572 57.345 -0.442 0.000 1.260 271 W CB -0.145 29.076 29.460 -0.399 0.000 1.131 271 W HN 0.229 nan 8.180 nan 0.000 0.530 272 D N 0.387 120.714 120.400 -0.122 0.000 2.144 272 D HA -0.228 4.449 4.640 0.061 0.000 0.199 272 D C 1.786 177.964 176.300 -0.204 0.000 0.984 272 D CA 1.811 55.729 54.000 -0.135 0.000 0.834 272 D CB -0.522 40.267 40.800 -0.018 0.000 0.955 272 D HN 0.212 nan 8.370 nan 0.000 0.465 273 E N 0.636 120.727 120.200 -0.182 0.000 2.077 273 E HA -0.098 4.289 4.350 0.061 0.000 0.193 273 E C 2.121 178.576 176.600 -0.242 0.000 0.989 273 E CA 0.633 56.946 56.400 -0.146 0.000 0.800 273 E CB -0.331 29.343 29.700 -0.043 0.000 0.746 273 E HN 0.284 nan 8.360 nan 0.000 0.452 274 I N -0.202 120.145 120.570 -0.371 0.000 2.226 274 I HA -0.358 3.848 4.170 0.061 0.000 0.245 274 I C 2.300 178.070 176.117 -0.578 0.000 1.100 274 I CA 0.972 61.977 61.300 -0.492 0.000 1.374 274 I CB -0.279 37.340 38.000 -0.636 0.000 1.057 274 I HN 0.262 nan 8.210 nan 0.000 0.413 275 C N 0.577 119.480 119.300 -0.661 0.000 2.425 275 C HA -0.170 4.327 4.460 0.061 0.000 0.277 275 C C 2.430 177.264 174.990 -0.260 0.000 1.280 275 C CA 0.676 59.439 59.018 -0.426 0.000 1.744 275 C CB -1.083 26.455 27.740 -0.338 0.000 1.989 275 C HN 0.528 nan 8.230 nan 0.000 0.491 276 D N 0.882 121.150 120.400 -0.220 0.000 2.117 276 D HA -0.077 4.599 4.640 0.061 0.000 0.197 276 D C 1.920 178.114 176.300 -0.177 0.000 0.987 276 D CA 1.104 55.012 54.000 -0.154 0.000 0.829 276 D CB -0.412 40.320 40.800 -0.113 0.000 0.961 276 D HN 0.459 nan 8.370 nan 0.000 0.460 277 I N 0.836 121.270 120.570 -0.227 0.000 2.163 277 I HA -0.244 3.962 4.170 0.061 0.000 0.243 277 I C 2.427 178.379 176.117 -0.275 0.000 1.085 277 I CA 1.088 62.238 61.300 -0.250 0.000 1.347 277 I CB -0.024 37.802 38.000 -0.290 0.000 1.044 277 I HN -0.110 nan 8.210 nan 0.000 0.408 278 K N 0.609 120.787 120.400 -0.370 0.000 2.097 278 K HA -0.096 4.260 4.320 0.061 0.000 0.205 278 K C 2.167 178.631 176.600 -0.227 0.000 1.050 278 K CA 1.472 57.509 56.287 -0.416 0.000 0.938 278 K CB -0.294 31.761 32.500 -0.742 0.000 0.718 278 K HN 0.331 nan 8.250 nan 0.000 0.442 279 A N 0.706 123.431 122.820 -0.158 0.000 1.873 279 A HA -0.116 4.240 4.320 0.061 0.000 0.215 279 A C 2.301 179.838 177.584 -0.078 0.000 1.186 279 A CA 2.019 54.007 52.037 -0.081 0.000 0.616 279 A CB -0.907 18.061 19.000 -0.054 0.000 0.823 279 A HN 0.266 nan 8.150 nan 0.000 0.442 280 T N 0.571 115.068 114.554 -0.095 0.000 2.720 280 T HA -0.097 4.289 4.350 0.061 0.000 0.268 280 T C 2.095 176.749 174.700 -0.076 0.000 1.037 280 T CA 1.596 63.648 62.100 -0.079 0.000 1.144 280 T CB -0.448 68.366 68.868 -0.091 0.000 0.864 280 T HN 0.601 nan 8.240 nan 0.000 0.444 281 A N 1.291 124.048 122.820 -0.104 0.000 2.125 281 A HA -0.111 4.245 4.320 0.061 0.000 0.219 281 A C 2.247 179.796 177.584 -0.058 0.000 1.156 281 A CA 0.974 52.956 52.037 -0.091 0.000 0.671 281 A CB -0.350 18.576 19.000 -0.125 0.000 0.794 281 A HN 0.348 nan 8.150 nan 0.000 0.459 282 Q N -0.765 119.006 119.800 -0.048 0.000 2.369 282 Q HA -0.036 4.340 4.340 0.061 0.000 0.206 282 Q C 1.434 177.426 176.000 -0.013 0.000 0.963 282 Q CA 1.711 57.502 55.803 -0.019 0.000 0.894 282 Q CB -0.400 28.335 28.738 -0.005 0.000 0.965 282 Q HN 0.658 nan 8.270 nan 0.000 0.475 283 T N -0.152 114.389 114.554 -0.021 0.000 3.085 283 T HA 0.017 4.404 4.350 0.061 0.000 0.241 283 T C 0.050 174.743 174.700 -0.012 0.000 0.988 283 T CA 0.244 62.336 62.100 -0.013 0.000 1.117 283 T CB 0.394 69.254 68.868 -0.014 0.000 0.978 283 T HN 0.075 nan 8.240 nan 0.000 0.454 284 D N 2.265 122.655 120.400 -0.015 0.000 2.469 284 D HA 0.214 4.890 4.640 0.061 0.000 0.251 284 D C -0.447 175.839 176.300 -0.024 0.000 1.173 284 D CA -0.572 53.429 54.000 0.002 0.000 0.882 284 D CB 0.493 41.320 40.800 0.045 0.000 1.129 284 D HN 0.176 nan 8.370 nan 0.000 0.549 285 N N 2.870 121.538 118.700 -0.054 0.000 2.282 285 N HA -0.016 4.760 4.740 0.061 0.000 0.240 285 N C 0.684 176.113 175.510 -0.135 0.000 1.182 285 N CA -0.124 52.877 53.050 -0.081 0.000 0.874 285 N CB 0.230 38.676 38.487 -0.068 0.000 1.126 285 N HN 0.199 nan 8.380 nan 0.000 0.516 286 V N -2.927 116.871 119.914 -0.193 0.000 3.578 286 V HA 0.442 4.598 4.120 0.061 0.000 0.290 286 V C -0.524 175.279 176.094 -0.484 0.000 1.376 286 V CA -0.034 62.059 62.300 -0.344 0.000 1.083 286 V CB -1.152 30.414 31.823 -0.428 0.000 0.911 286 V HN 0.070 nan 8.190 nan 0.000 0.433 287 H N 1.249 120.256 119.070 -0.105 0.000 2.539 287 H HA 0.601 5.194 4.556 0.061 0.000 0.332 287 H C 0.033 175.267 175.328 -0.158 0.000 1.031 287 H CA -0.485 55.497 56.048 -0.111 0.000 1.206 287 H CB 1.334 31.038 29.762 -0.096 0.000 1.446 287 H HN 0.285 nan 8.280 nan 0.000 0.496 288 R N 4.530 124.966 120.500 -0.107 0.000 2.449 288 R HA 0.136 4.512 4.340 0.061 0.000 0.296 288 R C -2.216 173.886 176.300 -0.329 0.000 1.047 288 R CA -1.204 54.765 56.100 -0.217 0.000 1.018 288 R CB 0.304 30.451 30.300 -0.255 0.000 0.962 288 R HN 0.485 nan 8.270 nan 0.000 0.428 289 P HA 0.157 nan 4.420 nan 0.000 0.281 289 P C -1.026 175.897 177.300 -0.628 0.000 1.264 289 P CA -0.409 62.399 63.100 -0.488 0.000 0.824 289 P CB 0.551 31.907 31.700 -0.574 0.000 1.092 290 F N 0.282 120.045 119.950 -0.312 0.000 2.444 290 F HA 0.207 4.771 4.527 0.061 0.000 0.360 290 F C 0.612 176.305 175.800 -0.178 0.000 1.106 290 F CA 0.159 58.034 58.000 -0.208 0.000 1.170 290 F CB -0.056 38.880 39.000 -0.107 0.000 1.113 290 F HN 0.148 nan 8.300 nan 0.000 0.521 291 Y N 4.349 124.703 120.300 0.091 0.000 2.319 291 Y HA 0.275 4.867 4.550 0.070 0.000 0.328 291 Y C -1.891 174.202 175.900 0.322 0.000 1.133 291 Y CA -2.576 55.620 58.100 0.159 0.000 1.265 291 Y CB 0.139 38.693 38.460 0.156 0.000 1.218 291 Y HN 0.424 nan 8.280 nan 0.000 0.508 292 P HA -0.027 nan 4.420 nan 0.000 0.266 292 P C -0.774 176.729 177.300 0.338 0.000 1.193 292 P CA 0.171 63.500 63.100 0.381 0.000 0.770 292 P CB 0.434 32.219 31.700 0.141 0.000 0.836 293 M N 2.446 122.185 119.600 0.231 0.000 2.658 293 M HA 0.712 5.229 4.480 0.061 0.000 0.295 293 M C -1.758 174.535 176.300 -0.011 0.000 1.248 293 M CA -1.093 54.193 55.300 -0.023 0.000 0.843 293 M CB 1.391 33.744 32.600 -0.412 0.000 1.749 293 M HN 0.011 nan 8.290 nan 0.000 0.464 294 L N 1.923 123.115 121.223 -0.051 0.000 2.341 294 L HA 0.745 5.121 4.340 0.061 0.000 0.278 294 L C -1.757 175.142 176.870 0.049 0.000 1.005 294 L CA -0.544 54.325 54.840 0.049 0.000 0.818 294 L CB 1.432 43.549 42.059 0.096 0.000 1.259 294 L HN 0.838 nan 8.230 nan 0.000 0.418 295 I N 5.503 126.126 120.570 0.088 0.000 2.304 295 I HA 0.244 4.451 4.170 0.061 0.000 0.291 295 I C -1.025 175.300 176.117 0.346 0.000 1.018 295 I CA -0.112 61.270 61.300 0.137 0.000 1.260 295 I CB 0.771 38.802 38.000 0.051 0.000 1.390 295 I HN 0.525 nan 8.210 nan 0.000 0.475 296 F N 7.577 127.651 119.950 0.206 0.000 2.325 296 F HA 0.444 5.008 4.527 0.062 0.000 0.369 296 F C 0.046 175.974 175.800 0.212 0.000 1.095 296 F CA -0.682 57.477 58.000 0.265 0.000 1.082 296 F CB 0.500 39.635 39.000 0.225 0.000 1.289 296 F HN 0.341 nan 8.300 nan 0.000 0.462 297 R N 5.009 125.462 120.500 -0.077 0.000 2.239 297 R HA 0.511 4.888 4.340 0.061 0.000 0.332 297 R C -1.097 175.054 176.300 -0.248 0.000 0.988 297 R CA -0.026 56.032 56.100 -0.071 0.000 0.859 297 R CB 0.638 30.945 30.300 0.011 0.000 1.148 297 R HN 0.773 nan 8.270 nan 0.000 0.482 298 T N 1.238 115.567 114.554 -0.375 0.000 2.883 298 T HA 0.537 4.924 4.350 0.061 0.000 0.301 298 T C -2.949 171.372 174.700 -0.632 0.000 1.158 298 T CA -2.248 59.328 62.100 -0.874 0.000 1.007 298 T CB 2.100 70.152 68.868 -1.360 0.000 1.186 298 T HN 0.264 nan 8.240 nan 0.000 0.499 299 P HA 0.252 nan 4.420 nan 0.000 0.271 299 P C -0.495 176.745 177.300 -0.100 0.000 1.216 299 P CA -0.482 62.323 63.100 -0.491 0.000 0.776 299 P CB 0.484 31.810 31.700 -0.624 0.000 0.881 300 K N 1.871 122.318 120.400 0.079 0.000 2.382 300 K HA 0.305 4.661 4.320 0.061 0.000 0.275 300 K C 1.139 177.821 176.600 0.138 0.000 1.009 300 K CA 0.606 56.973 56.287 0.133 0.000 0.970 300 K CB -0.521 32.107 32.500 0.213 0.000 0.934 300 K HN 0.737 nan 8.250 nan 0.000 0.479 301 G N 3.242 112.138 108.800 0.160 0.000 2.184 301 G HA2 -0.257 3.739 3.960 0.061 0.000 0.264 301 G HA3 -0.257 3.739 3.960 0.061 0.000 0.264 301 G C -0.260 174.970 174.900 0.549 0.000 0.975 301 G CA 0.132 45.425 45.100 0.323 0.000 0.642 301 G HN 0.817 nan 8.290 nan 0.000 0.536 302 W N 1.688 123.084 121.300 0.161 0.000 2.525 302 W HA 0.144 4.839 4.660 0.059 0.000 0.347 302 W C 1.562 178.293 176.519 0.354 0.000 0.931 302 W CA 2.442 59.894 57.345 0.178 0.000 0.997 302 W CB -0.841 28.713 29.460 0.156 0.000 1.054 302 W HN 1.628 nan 8.180 nan 0.000 0.570 303 T N -0.114 114.736 114.554 0.494 0.000 5.506 303 T HA -0.277 4.109 4.350 0.061 0.000 0.269 303 T C 0.632 175.451 174.700 0.198 0.000 2.212 303 T CA 0.532 62.804 62.100 0.287 0.000 3.781 303 T CB -2.532 66.436 68.868 0.166 0.000 0.479 303 T HN 1.233 nan 8.240 nan 0.000 0.969 304 C N 1.338 120.712 119.300 0.122 0.000 2.560 304 C HA 0.802 5.298 4.460 0.061 0.000 0.334 304 C C -1.882 172.740 174.990 -0.613 0.000 1.404 304 C CA -1.801 56.789 59.018 -0.713 0.000 2.410 304 C CB -0.398 26.818 27.740 -0.873 0.000 2.268 304 C HN 0.426 nan 8.230 nan 0.000 0.673 305 P HA 0.188 nan 4.420 nan 0.000 0.266 305 P C 0.147 177.259 177.300 -0.313 0.000 1.195 305 P CA 0.248 63.083 63.100 -0.442 0.000 0.768 305 P CB 0.450 31.895 31.700 -0.424 0.000 0.838 306 K N 1.555 121.841 120.400 -0.190 0.000 2.025 306 K HA -0.072 4.284 4.320 0.061 0.000 0.207 306 K C 0.068 176.376 176.600 -0.487 0.000 1.049 306 K CA 1.472 57.615 56.287 -0.240 0.000 0.933 306 K CB -0.156 32.308 32.500 -0.059 0.000 0.714 306 K HN 0.470 nan 8.250 nan 0.000 0.438 307 Y N -0.449 119.774 120.300 -0.128 0.000 2.425 307 Y HA 0.451 5.038 4.550 0.062 0.000 0.344 307 Y C -0.398 175.428 175.900 -0.123 0.000 0.969 307 Y CA -1.041 56.988 58.100 -0.118 0.000 1.052 307 Y CB 1.606 40.016 38.460 -0.083 0.000 1.215 307 Y HN -0.182 nan 8.280 nan 0.000 0.451 308 I N 3.091 123.663 120.570 0.003 0.000 2.466 308 I HA 0.215 4.422 4.170 0.061 0.000 0.289 308 I C -0.854 175.283 176.117 0.034 0.000 1.026 308 I CA -0.766 60.528 61.300 -0.011 0.000 1.078 308 I CB 1.874 39.818 38.000 -0.093 0.000 1.249 308 I HN 0.714 nan 8.210 nan 0.000 0.429 309 D N 5.073 125.514 120.400 0.068 0.000 2.751 309 D HA -0.196 4.481 4.640 0.061 0.000 0.233 309 D C 1.147 177.481 176.300 0.056 0.000 1.149 309 D CA 1.779 55.823 54.000 0.075 0.000 0.682 309 D CB -0.854 40.008 40.800 0.104 0.000 1.068 309 D HN 1.174 nan 8.370 nan 0.000 0.429 310 G N -1.399 107.441 108.800 0.067 0.000 2.179 310 G HA2 -0.337 3.659 3.960 0.061 0.000 0.260 310 G HA3 -0.337 3.659 3.960 0.061 0.000 0.260 310 G C 0.224 175.209 174.900 0.141 0.000 0.977 310 G CA 0.575 45.712 45.100 0.061 0.000 0.641 310 G HN 0.328 nan 8.290 nan 0.000 0.533 311 K N 0.574 121.051 120.400 0.128 0.000 2.159 311 K HA 0.428 4.784 4.320 0.061 0.000 0.266 311 K C 0.240 176.818 176.600 -0.037 0.000 0.975 311 K CA -0.886 55.437 56.287 0.060 0.000 0.865 311 K CB 1.778 34.241 32.500 -0.062 0.000 1.087 311 K HN 0.306 nan 8.250 nan 0.000 0.446 312 K N 1.554 121.840 120.400 -0.190 0.000 2.412 312 K HA 0.029 4.386 4.320 0.061 0.000 0.284 312 K C 0.021 176.300 176.600 -0.536 0.000 1.046 312 K CA 0.492 56.394 56.287 -0.641 0.000 0.999 312 K CB 0.455 32.672 32.500 -0.472 0.000 0.941 312 K HN 0.482 nan 8.250 nan 0.000 0.474 313 T N 2.701 116.937 114.554 -0.530 0.000 3.151 313 T HA -0.025 4.361 4.350 0.061 0.000 0.239 313 T C -0.137 174.373 174.700 -0.316 0.000 0.979 313 T CA -0.086 61.777 62.100 -0.395 0.000 1.194 313 T CB 0.006 68.679 68.868 -0.325 0.000 0.982 313 T HN 0.656 nan 8.240 nan 0.000 0.428 314 E N 1.119 121.148 120.200 -0.286 0.000 2.414 314 E HA 0.318 4.704 4.350 0.061 0.000 0.263 314 E C 0.620 177.109 176.600 -0.185 0.000 1.000 314 E CA 0.584 56.893 56.400 -0.151 0.000 0.914 314 E CB 0.164 29.807 29.700 -0.095 0.000 0.948 314 E HN 0.599 nan 8.360 nan 0.000 0.444 315 G N 2.872 111.604 108.800 -0.114 0.000 2.160 315 G HA2 -0.252 3.745 3.960 0.061 0.000 0.244 315 G HA3 -0.252 3.745 3.960 0.061 0.000 0.244 315 G C -0.087 174.638 174.900 -0.291 0.000 1.022 315 G CA 0.520 45.576 45.100 -0.074 0.000 0.741 315 G HN 0.590 nan 8.290 nan 0.000 0.508 316 S N -1.123 114.271 115.700 -0.509 0.000 2.564 316 S HA 0.603 5.110 4.470 0.061 0.000 0.274 316 S C 1.263 175.385 174.600 -0.796 0.000 1.124 316 S CA 0.023 57.620 58.200 -1.006 0.000 0.869 316 S CB 0.471 63.157 63.200 -0.857 0.000 1.105 316 S HN 0.899 nan 8.310 nan 0.000 0.472 317 W N 3.258 124.107 121.300 -0.750 0.000 2.341 317 W HA -0.118 4.578 4.660 0.060 0.000 0.283 317 W C 1.076 177.575 176.519 -0.034 0.000 1.215 317 W CA 0.671 57.928 57.345 -0.146 0.000 1.211 317 W CB -0.863 28.591 29.460 -0.010 0.000 1.131 317 W HN 0.681 nan 8.180 nan 0.000 0.552 318 R N 1.329 121.436 120.500 -0.656 0.000 2.249 318 R HA -0.119 4.257 4.340 0.061 0.000 0.230 318 R C 2.260 178.501 176.300 -0.098 0.000 1.121 318 R CA 1.814 57.658 56.100 -0.427 0.000 0.997 318 R CB -0.475 29.409 30.300 -0.694 0.000 0.867 318 R HN 0.253 nan 8.270 nan 0.000 0.465 319 S N -0.934 114.748 115.700 -0.029 0.000 2.575 319 S HA -0.041 4.465 4.470 0.061 0.000 0.215 319 S C 1.408 176.180 174.600 0.287 0.000 0.966 319 S CA 0.068 58.356 58.200 0.146 0.000 0.911 319 S CB -0.036 63.276 63.200 0.188 0.000 0.780 319 S HN 0.402 nan 8.310 nan 0.000 0.514 320 H N 1.512 120.706 119.070 0.207 0.000 2.319 320 H HA -0.029 4.562 4.556 0.059 0.000 0.299 320 H C 1.958 177.482 175.328 0.326 0.000 1.092 320 H CA 2.488 58.697 56.048 0.269 0.000 1.302 320 H CB -0.108 29.814 29.762 0.266 0.000 1.373 320 H HN 0.594 nan 8.280 nan 0.000 0.497 321 Q N -0.404 119.469 119.800 0.121 0.000 2.263 321 Q HA 0.227 4.604 4.340 0.061 0.000 0.258 321 Q C -0.252 175.777 176.000 0.049 0.000 0.993 321 Q CA 0.397 56.172 55.803 -0.047 0.000 0.820 321 Q CB 0.554 29.303 28.738 0.018 0.000 1.737 321 Q HN 0.262 nan 8.270 nan 0.000 0.522 322 V N -0.292 119.656 119.914 0.057 0.000 2.398 322 V HA 0.384 4.541 4.120 0.061 0.000 0.286 322 V C -2.273 173.905 176.094 0.140 0.000 1.026 322 V CA -1.529 60.846 62.300 0.126 0.000 0.868 322 V CB 1.156 32.996 31.823 0.029 0.000 0.982 322 V HN 0.445 nan 8.190 nan 0.000 0.443 323 P HA 0.083 nan 4.420 nan 0.000 0.222 323 P C 0.016 177.282 177.300 -0.057 0.000 1.153 323 P CA 0.603 63.690 63.100 -0.022 0.000 0.798 323 P CB 0.257 31.820 31.700 -0.228 0.000 0.796 324 L N -0.974 120.282 121.223 0.054 0.000 2.343 324 L HA 0.643 5.020 4.340 0.061 0.000 0.278 324 L C 0.931 177.858 176.870 0.096 0.000 0.996 324 L CA -0.887 53.959 54.840 0.010 0.000 0.831 324 L CB 1.138 43.231 42.059 0.056 0.000 1.232 324 L HN -0.210 nan 8.230 nan 0.000 0.413 325 A N 3.030 125.819 122.820 -0.050 0.000 1.984 325 A HA 0.316 4.673 4.320 0.061 0.000 0.214 325 A C 0.936 178.516 177.584 -0.007 0.000 1.173 325 A CA 0.953 52.974 52.037 -0.026 0.000 0.673 325 A CB -0.054 18.914 19.000 -0.054 0.000 0.830 325 A HN 0.641 nan 8.150 nan 0.000 0.453 326 S N -2.948 112.731 115.700 -0.036 0.000 2.569 326 S HA 0.629 5.135 4.470 0.061 0.000 0.280 326 S C -0.180 174.488 174.600 0.112 0.000 1.111 326 S CA 0.136 58.367 58.200 0.052 0.000 0.887 326 S CB 1.894 65.132 63.200 0.063 0.000 1.095 326 S HN 0.952 nan 8.310 nan 0.000 0.476 327 A N 3.237 126.176 122.820 0.198 0.000 2.551 327 A HA 0.400 4.756 4.320 0.061 0.000 0.252 327 A C 1.411 179.139 177.584 0.241 0.000 1.199 327 A CA -0.240 51.946 52.037 0.249 0.000 0.972 327 A CB 0.146 19.301 19.000 0.258 0.000 1.153 327 A HN 0.753 nan 8.150 nan 0.000 0.559 328 R N 0.468 121.054 120.500 0.143 0.000 2.237 328 R HA -0.008 4.368 4.340 0.061 0.000 0.195 328 R C 1.291 177.626 176.300 0.058 0.000 0.956 328 R CA 0.978 57.110 56.100 0.054 0.000 1.029 328 R CB 0.076 30.375 30.300 -0.001 0.000 0.972 328 R HN 0.636 nan 8.270 nan 0.000 0.493 329 D N 0.547 121.017 120.400 0.116 0.000 2.097 329 D HA -0.101 4.576 4.640 0.061 0.000 0.197 329 D C 0.858 177.204 176.300 0.076 0.000 0.984 329 D CA 1.317 55.381 54.000 0.106 0.000 0.826 329 D CB -0.286 40.599 40.800 0.141 0.000 0.973 329 D HN 0.099 nan 8.370 nan 0.000 0.460 330 T N -3.949 110.661 114.554 0.093 0.000 2.916 330 T HA 0.393 4.780 4.350 0.061 0.000 0.292 330 T C 0.697 175.415 174.700 0.030 0.000 1.055 330 T CA -0.743 61.354 62.100 -0.006 0.000 1.009 330 T CB 2.501 71.272 68.868 -0.162 0.000 1.118 330 T HN 0.003 nan 8.240 nan 0.000 0.497 331 E N 0.595 120.795 120.200 -0.000 0.000 2.110 331 E HA -0.120 4.266 4.350 0.061 0.000 0.193 331 E C 2.197 178.847 176.600 0.084 0.000 0.988 331 E CA 1.353 57.782 56.400 0.049 0.000 0.804 331 E CB -0.426 29.279 29.700 0.007 0.000 0.745 331 E HN 0.772 nan 8.360 nan 0.000 0.458 332 A N 0.080 122.882 122.820 -0.029 0.000 1.873 332 A HA -0.188 4.168 4.320 0.061 0.000 0.215 332 A C 1.748 179.332 177.584 0.000 0.000 1.186 332 A CA 1.715 53.716 52.037 -0.061 0.000 0.616 332 A CB -0.883 18.020 19.000 -0.162 0.000 0.823 332 A HN 0.412 nan 8.150 nan 0.000 0.442 333 H N -2.486 116.620 119.070 0.060 0.000 2.353 333 H HA -0.113 4.480 4.556 0.061 0.000 0.300 333 H C 1.891 177.256 175.328 0.062 0.000 1.090 333 H CA 1.450 57.531 56.048 0.054 0.000 1.327 333 H CB -0.206 29.597 29.762 0.068 0.000 1.383 333 H HN 0.598 nan 8.280 nan 0.000 0.508 334 F N 1.900 121.898 119.950 0.080 0.000 2.126 334 F HA -0.230 4.334 4.527 0.061 0.000 0.299 334 F C 2.325 178.123 175.800 -0.004 0.000 1.096 334 F CA 1.508 59.504 58.000 -0.005 0.000 1.255 334 F CB 0.097 39.055 39.000 -0.070 0.000 0.997 334 F HN 0.015 nan 8.300 nan 0.000 0.479 335 E N -0.053 120.126 120.200 -0.036 0.000 2.153 335 E HA -0.152 4.234 4.350 0.061 0.000 0.194 335 E C 2.119 178.648 176.600 -0.119 0.000 0.988 335 E CA 1.386 57.726 56.400 -0.100 0.000 0.811 335 E CB -0.299 29.414 29.700 0.021 0.000 0.746 335 E HN 0.335 nan 8.360 nan 0.000 0.466 336 V N 0.469 120.347 119.914 -0.059 0.000 2.307 336 V HA -0.216 3.940 4.120 0.061 0.000 0.245 336 V C 2.282 178.341 176.094 -0.058 0.000 1.045 336 V CA 1.510 63.785 62.300 -0.041 0.000 1.024 336 V CB -0.572 31.252 31.823 0.000 0.000 0.651 336 V HN 0.312 nan 8.190 nan 0.000 0.449 337 L N 0.842 121.986 121.223 -0.131 0.000 2.013 337 L HA -0.221 4.156 4.340 0.061 0.000 0.212 337 L C 2.464 179.188 176.870 -0.244 0.000 1.073 337 L CA 2.399 57.105 54.840 -0.224 0.000 0.753 337 L CB -0.855 40.983 42.059 -0.369 0.000 0.890 337 L HN 0.327 nan 8.230 nan 0.000 0.432 338 K N -0.830 119.372 120.400 -0.331 0.000 2.057 338 K HA -0.202 4.155 4.320 0.061 0.000 0.207 338 K C 1.865 178.415 176.600 -0.085 0.000 1.049 338 K CA 1.676 57.862 56.287 -0.168 0.000 0.931 338 K CB -0.212 32.154 32.500 -0.223 0.000 0.714 338 K HN 0.445 nan 8.250 nan 0.000 0.440 339 N N 0.321 118.979 118.700 -0.071 0.000 2.188 339 N HA -0.175 4.601 4.740 0.061 0.000 0.184 339 N C 1.434 176.946 175.510 0.003 0.000 1.018 339 N CA 1.130 54.159 53.050 -0.035 0.000 0.858 339 N CB -0.457 38.007 38.487 -0.037 0.000 0.989 339 N HN 0.395 nan 8.380 nan 0.000 0.426 340 W N 2.277 123.443 121.300 -0.224 0.000 2.379 340 W HA 0.031 4.727 4.660 0.059 0.000 0.307 340 W C 1.912 178.316 176.519 -0.192 0.000 1.200 340 W CA 0.715 57.904 57.345 -0.261 0.000 1.297 340 W CB -0.853 28.420 29.460 -0.313 0.000 1.140 340 W HN -0.040 nan 8.180 nan 0.000 0.507 341 L N 0.632 121.756 121.223 -0.164 0.000 2.042 341 L HA -0.248 4.128 4.340 0.061 0.000 0.210 341 L C 2.426 179.373 176.870 0.127 0.000 1.076 341 L CA 2.090 56.860 54.840 -0.117 0.000 0.749 341 L CB -0.961 40.949 42.059 -0.248 0.000 0.893 341 L HN -0.008 nan 8.230 nan 0.000 0.432 342 E N -0.384 119.823 120.200 0.012 0.000 2.265 342 E HA -0.182 4.204 4.350 0.061 0.000 0.196 342 E C 2.223 178.790 176.600 -0.055 0.000 0.996 342 E CA 1.244 57.643 56.400 -0.002 0.000 0.832 342 E CB -0.073 29.607 29.700 -0.032 0.000 0.756 342 E HN 0.562 nan 8.360 nan 0.000 0.491 343 S N 0.066 115.664 115.700 -0.170 0.000 2.474 343 S HA -0.146 4.360 4.470 0.061 0.000 0.235 343 S C 1.491 175.834 174.600 -0.428 0.000 0.997 343 S CA 0.555 58.565 58.200 -0.317 0.000 0.949 343 S CB -0.362 62.601 63.200 -0.395 0.000 0.766 343 S HN 0.290 nan 8.310 nan 0.000 0.517 344 Y N 1.571 121.881 120.300 0.017 0.000 2.529 344 Y HA 0.362 4.949 4.550 0.062 0.000 0.290 344 Y C 0.692 176.571 175.900 -0.036 0.000 1.177 344 Y CA -0.495 57.601 58.100 -0.006 0.000 1.305 344 Y CB -0.691 37.791 38.460 0.038 0.000 1.047 344 Y HN 0.155 nan 8.280 nan 0.000 0.522 345 K N -0.216 120.208 120.400 0.039 0.000 3.689 345 K HA -0.190 4.166 4.320 0.061 0.000 0.276 345 K C -2.327 174.253 176.600 -0.034 0.000 0.932 345 K CA 0.359 56.642 56.287 -0.007 0.000 0.758 345 K CB -0.762 31.729 32.500 -0.015 0.000 1.500 345 K HN 0.293 nan 8.250 nan 0.000 0.448 346 P HA -0.241 nan 4.420 nan 0.000 0.225 346 P C 1.046 178.338 177.300 -0.012 0.000 1.148 346 P CA 1.309 64.314 63.100 -0.159 0.000 0.779 346 P CB 0.206 31.523 31.700 -0.638 0.000 0.780 347 E N 1.557 121.731 120.200 -0.043 0.000 2.265 347 E HA -0.200 4.186 4.350 0.061 0.000 0.196 347 E C 1.105 177.699 176.600 -0.009 0.000 0.996 347 E CA 1.239 57.627 56.400 -0.019 0.000 0.832 347 E CB -0.773 28.908 29.700 -0.031 0.000 0.756 347 E HN 0.399 nan 8.360 nan 0.000 0.491 348 E N 0.250 120.434 120.200 -0.027 0.000 2.474 348 E HA 0.148 4.535 4.350 0.061 0.000 0.194 348 E C 1.826 178.379 176.600 -0.078 0.000 1.041 348 E CA 0.068 56.445 56.400 -0.039 0.000 0.874 348 E CB 0.185 29.863 29.700 -0.035 0.000 0.914 348 E HN 0.266 nan 8.360 nan 0.000 0.498 349 L N -0.669 120.483 121.223 -0.118 0.000 2.575 349 L HA 0.256 4.633 4.340 0.061 0.000 0.228 349 L C 0.101 176.690 176.870 -0.467 0.000 1.075 349 L CA 0.046 54.691 54.840 -0.325 0.000 0.867 349 L CB 0.401 42.169 42.059 -0.486 0.000 1.097 349 L HN -0.021 nan 8.230 nan 0.000 0.485 350 F N 0.159 120.036 119.950 -0.122 0.000 2.561 350 F HA 0.320 4.883 4.527 0.060 0.000 0.321 350 F C 0.241 175.992 175.800 -0.082 0.000 1.065 350 F CA -1.532 56.407 58.000 -0.103 0.000 0.934 350 F CB 1.245 40.170 39.000 -0.126 0.000 1.215 350 F HN -0.094 nan 8.300 nan 0.000 0.471 351 D N 0.980 121.455 120.400 0.125 0.000 2.478 351 D HA 0.366 5.042 4.640 0.061 0.000 0.274 351 D C 0.987 177.314 176.300 0.045 0.000 1.234 351 D CA -0.287 53.744 54.000 0.052 0.000 1.069 351 D CB 0.254 41.065 40.800 0.018 0.000 1.113 351 D HN 0.513 nan 8.370 nan 0.000 0.571 352 A N -0.479 122.350 122.820 0.016 0.000 2.015 352 A HA -0.181 4.175 4.320 0.061 0.000 0.219 352 A C 1.903 179.485 177.584 -0.003 0.000 1.163 352 A CA 1.529 53.567 52.037 0.002 0.000 0.646 352 A CB -1.072 17.926 19.000 -0.004 0.000 0.806 352 A HN 0.597 nan 8.150 nan 0.000 0.448 353 N N -0.733 117.969 118.700 0.004 0.000 2.550 353 N HA 0.089 4.866 4.740 0.061 0.000 0.186 353 N C 1.057 176.569 175.510 0.004 0.000 1.110 353 N CA 1.283 54.333 53.050 0.000 0.000 0.912 353 N CB -0.108 38.381 38.487 0.002 0.000 0.968 353 N HN 0.605 nan 8.380 nan 0.000 0.448 354 G N -1.529 107.286 108.800 0.024 0.000 2.136 354 G HA2 -0.204 3.793 3.960 0.061 0.000 0.242 354 G HA3 -0.204 3.793 3.960 0.061 0.000 0.242 354 G C 0.081 175.081 174.900 0.168 0.000 0.989 354 G CA 0.303 45.416 45.100 0.022 0.000 0.682 354 G HN 0.630 nan 8.290 nan 0.000 0.522 355 A N -0.237 122.670 122.820 0.145 0.000 2.327 355 A HA 0.759 5.115 4.320 0.061 0.000 0.283 355 A C 0.760 178.421 177.584 0.128 0.000 1.127 355 A CA -0.008 52.099 52.037 0.117 0.000 0.810 355 A CB 1.169 20.178 19.000 0.015 0.000 1.066 355 A HN 1.161 nan 8.150 nan 0.000 0.492 356 V N 3.607 123.529 119.914 0.013 0.000 2.655 356 V HA 0.017 4.173 4.120 0.061 0.000 0.300 356 V C 0.791 176.783 176.094 -0.171 0.000 1.044 356 V CA 0.080 62.230 62.300 -0.250 0.000 1.095 356 V CB 0.480 32.115 31.823 -0.313 0.000 0.952 356 V HN 0.890 nan 8.190 nan 0.000 0.485 357 K N 3.308 123.595 120.400 -0.188 0.000 2.258 357 K HA 0.098 4.455 4.320 0.061 0.000 0.264 357 K C 0.636 177.177 176.600 -0.099 0.000 1.007 357 K CA -0.544 55.676 56.287 -0.111 0.000 0.941 357 K CB 0.497 32.940 32.500 -0.096 0.000 0.966 357 K HN 0.565 nan 8.250 nan 0.000 0.480 358 D N 1.949 122.305 120.400 -0.072 0.000 2.133 358 D HA -0.201 4.475 4.640 0.061 0.000 0.195 358 D C 1.346 177.621 176.300 -0.041 0.000 0.997 358 D CA 1.634 55.598 54.000 -0.061 0.000 0.840 358 D CB -0.160 40.609 40.800 -0.051 0.000 0.947 358 D HN 0.657 nan 8.370 nan 0.000 0.452 359 D N 0.451 120.830 120.400 -0.034 0.000 2.310 359 D HA -0.095 4.582 4.640 0.061 0.000 0.212 359 D C 1.875 178.183 176.300 0.014 0.000 0.965 359 D CA 0.284 54.277 54.000 -0.011 0.000 0.879 359 D CB -0.420 40.369 40.800 -0.018 0.000 0.921 359 D HN 0.129 nan 8.370 nan 0.000 0.510 360 V N 0.125 120.032 119.914 -0.012 0.000 2.548 360 V HA -0.056 4.101 4.120 0.061 0.000 0.249 360 V C 2.160 178.348 176.094 0.156 0.000 1.055 360 V CA 1.080 63.389 62.300 0.016 0.000 1.065 360 V CB -0.231 31.533 31.823 -0.097 0.000 0.681 360 V HN 0.247 nan 8.190 nan 0.000 0.462 361 L N -0.843 120.419 121.223 0.064 0.000 3.016 361 L HA 0.396 4.772 4.340 0.061 0.000 0.267 361 L C 2.133 178.929 176.870 -0.123 0.000 1.182 361 L CA 0.480 55.300 54.840 -0.033 0.000 0.997 361 L CB -0.103 41.888 42.059 -0.114 0.000 1.354 361 L HN 0.184 nan 8.230 nan 0.000 0.569 362 A N 1.131 123.950 122.820 -0.001 0.000 2.019 362 A HA -0.220 4.136 4.320 0.061 0.000 0.219 362 A C 1.952 179.515 177.584 -0.036 0.000 1.164 362 A CA 1.542 53.561 52.037 -0.029 0.000 0.644 362 A CB -0.654 18.349 19.000 0.006 0.000 0.805 362 A HN 0.588 nan 8.150 nan 0.000 0.449 363 F N -1.310 118.587 119.950 -0.088 0.000 2.661 363 F HA 0.270 4.833 4.527 0.060 0.000 0.298 363 F C 0.800 176.527 175.800 -0.121 0.000 1.137 363 F CA -0.340 57.594 58.000 -0.109 0.000 1.454 363 F CB -0.355 38.565 39.000 -0.133 0.000 1.103 363 F HN -0.060 nan 8.300 nan 0.000 0.577 364 M N 2.757 121.790 119.600 -0.946 0.000 2.226 364 M HA 0.228 4.744 4.480 0.061 0.000 0.324 364 M C -1.993 174.060 176.300 -0.412 0.000 1.112 364 M CA -1.684 53.099 55.300 -0.861 0.000 1.176 364 M CB -0.103 32.089 32.600 -0.680 0.000 1.430 364 M HN -0.072 nan 8.290 nan 0.000 0.462 365 P HA 0.329 nan 4.420 nan 0.000 0.274 365 P C -1.230 175.969 177.300 -0.169 0.000 1.246 365 P CA -0.252 62.725 63.100 -0.205 0.000 0.795 365 P CB 0.861 32.456 31.700 -0.175 0.000 1.006 366 K N -0.323 120.000 120.400 -0.129 0.000 2.400 366 K HA 0.617 4.973 4.320 0.061 0.000 0.246 366 K C 0.401 176.951 176.600 -0.083 0.000 0.995 366 K CA -0.405 55.818 56.287 -0.107 0.000 0.840 366 K CB 1.458 33.899 32.500 -0.098 0.000 1.293 366 K HN 0.760 nan 8.250 nan 0.000 0.445 367 G N 1.463 110.220 108.800 -0.072 0.000 2.566 367 G HA2 -0.401 3.596 3.960 0.061 0.000 0.280 367 G HA3 -0.401 3.596 3.960 0.061 0.000 0.280 367 G C 0.669 175.541 174.900 -0.047 0.000 1.225 367 G CA 0.716 45.782 45.100 -0.056 0.000 0.966 367 G HN 0.878 nan 8.290 nan 0.000 0.560 368 E N -0.027 120.151 120.200 -0.037 0.000 2.478 368 E HA 0.143 4.530 4.350 0.061 0.000 0.198 368 E C 2.113 178.700 176.600 -0.022 0.000 1.046 368 E CA 0.793 57.179 56.400 -0.023 0.000 0.870 368 E CB -0.020 29.672 29.700 -0.013 0.000 0.818 368 E HN 0.288 nan 8.360 nan 0.000 0.527 369 L N 1.310 122.509 121.223 -0.040 0.000 2.492 369 L HA 0.152 4.528 4.340 0.061 0.000 0.223 369 L C 0.814 177.658 176.870 -0.044 0.000 1.132 369 L CA 0.645 55.457 54.840 -0.048 0.000 0.850 369 L CB -0.650 41.363 42.059 -0.078 0.000 0.966 369 L HN 0.048 nan 8.230 nan 0.000 0.454 370 R N -0.458 120.015 120.500 -0.044 0.000 2.640 370 R HA -0.026 4.350 4.340 0.061 0.000 0.270 370 R C 1.558 177.864 176.300 0.010 0.000 1.024 370 R CA -0.116 55.963 56.100 -0.036 0.000 1.085 370 R CB 0.551 30.828 30.300 -0.038 0.000 0.963 370 R HN 0.071 nan 8.270 nan 0.000 0.426 371 I N 1.597 122.185 120.570 0.029 0.000 2.194 371 I HA -0.279 3.928 4.170 0.061 0.000 0.246 371 I C 2.255 178.448 176.117 0.127 0.000 1.093 371 I CA 1.992 63.344 61.300 0.087 0.000 1.355 371 I CB -0.332 37.730 38.000 0.104 0.000 1.046 371 I HN 0.892 nan 8.210 nan 0.000 0.413 372 G N -0.385 108.486 108.800 0.119 0.000 2.511 372 G HA2 -0.034 3.962 3.960 0.061 0.000 0.217 372 G HA3 -0.034 3.962 3.960 0.061 0.000 0.217 372 G C 1.611 176.553 174.900 0.071 0.000 1.133 372 G CA 0.666 45.843 45.100 0.128 0.000 0.792 372 G HN 0.497 nan 8.290 nan 0.000 0.539 373 A N -0.111 122.732 122.820 0.039 0.000 2.220 373 A HA 0.225 4.581 4.320 0.061 0.000 0.211 373 A C 1.218 178.823 177.584 0.035 0.000 1.176 373 A CA -0.272 51.775 52.037 0.015 0.000 0.834 373 A CB -0.174 18.817 19.000 -0.015 0.000 0.868 373 A HN 0.289 nan 8.150 nan 0.000 0.488 374 N N 1.237 119.966 118.700 0.050 0.000 2.458 374 N HA 0.030 4.807 4.740 0.061 0.000 0.258 374 N C -1.766 173.782 175.510 0.065 0.000 1.219 374 N CA -1.023 52.056 53.050 0.048 0.000 0.902 374 N CB 1.211 39.732 38.487 0.057 0.000 1.076 374 N HN 0.070 nan 8.380 nan 0.000 0.455 375 P HA -0.043 nan 4.420 nan 0.000 0.233 375 P C 0.487 177.826 177.300 0.065 0.000 1.167 375 P CA 0.793 63.929 63.100 0.061 0.000 0.770 375 P CB 0.389 32.115 31.700 0.044 0.000 0.837 376 N N 0.439 119.176 118.700 0.062 0.000 2.396 376 N HA -0.038 4.738 4.740 0.061 0.000 0.180 376 N C 1.528 177.083 175.510 0.075 0.000 1.028 376 N CA 0.898 53.983 53.050 0.057 0.000 0.893 376 N CB -0.133 38.389 38.487 0.057 0.000 0.967 376 N HN 0.132 nan 8.380 nan 0.000 0.440 377 A N 0.313 123.195 122.820 0.103 0.000 2.238 377 A HA 0.044 4.400 4.320 0.061 0.000 0.208 377 A C 0.865 178.559 177.584 0.184 0.000 1.177 377 A CA 0.381 52.503 52.037 0.142 0.000 0.804 377 A CB -0.012 19.085 19.000 0.163 0.000 0.823 377 A HN 0.117 nan 8.150 nan 0.000 0.482 378 N N -1.073 117.719 118.700 0.153 0.000 2.620 378 N HA 0.125 4.902 4.740 0.061 0.000 0.277 378 N C 1.062 176.633 175.510 0.103 0.000 1.726 378 N CA 0.485 53.635 53.050 0.166 0.000 0.840 378 N CB -0.248 38.367 38.487 0.214 0.000 1.379 378 N HN 0.057 nan 8.380 nan 0.000 0.506 379 G N -0.161 108.683 108.800 0.072 0.000 2.532 379 G HA2 -0.264 3.732 3.960 0.061 0.000 0.222 379 G HA3 -0.264 3.732 3.960 0.061 0.000 0.222 379 G C 1.331 176.241 174.900 0.016 0.000 1.102 379 G CA 1.053 46.168 45.100 0.026 0.000 0.742 379 G HN 0.451 nan 8.290 nan 0.000 0.577 380 G N 0.484 109.306 108.800 0.035 0.000 2.448 380 G HA2 -0.126 3.870 3.960 0.061 0.000 0.219 380 G HA3 -0.126 3.870 3.960 0.061 0.000 0.219 380 G C 1.861 176.782 174.900 0.035 0.000 1.127 380 G CA 1.600 46.717 45.100 0.029 0.000 0.766 380 G HN 0.896 nan 8.290 nan 0.000 0.552 381 V N -1.285 118.657 119.914 0.047 0.000 2.970 381 V HA 0.121 4.277 4.120 0.061 0.000 0.260 381 V C 2.344 178.460 176.094 0.037 0.000 1.100 381 V CA 1.232 63.560 62.300 0.047 0.000 1.122 381 V CB -0.260 31.596 31.823 0.055 0.000 0.721 381 V HN 0.367 nan 8.190 nan 0.000 0.483 382 I N -0.411 120.175 120.570 0.027 0.000 2.585 382 I HA 0.112 4.318 4.170 0.061 0.000 0.254 382 I C 1.743 177.873 176.117 0.021 0.000 1.129 382 I CA 0.197 61.510 61.300 0.021 0.000 1.455 382 I CB -0.091 37.913 38.000 0.007 0.000 1.111 382 I HN 0.165 nan 8.210 nan 0.000 0.433 383 R N 3.138 123.640 120.500 0.003 0.000 2.480 383 R HA -0.009 4.368 4.340 0.061 0.000 0.303 383 R C -0.865 175.483 176.300 0.081 0.000 0.985 383 R CA 0.522 56.625 56.100 0.005 0.000 1.051 383 R CB 0.113 30.383 30.300 -0.049 0.000 0.935 383 R HN 0.243 nan 8.270 nan 0.000 0.410 384 N N 2.435 121.226 118.700 0.151 0.000 2.471 384 N HA 0.212 4.989 4.740 0.061 0.000 0.288 384 N C -1.117 174.520 175.510 0.212 0.000 1.220 384 N CA -0.628 52.510 53.050 0.146 0.000 0.893 384 N CB 0.981 39.530 38.487 0.104 0.000 1.256 384 N HN 0.510 nan 8.380 nan 0.000 0.534 385 D N 0.693 121.175 120.400 0.137 0.000 2.399 385 D HA 0.134 4.810 4.640 0.061 0.000 0.241 385 D C 0.418 176.725 176.300 0.013 0.000 1.133 385 D CA 0.149 54.218 54.000 0.115 0.000 0.890 385 D CB 0.807 41.653 40.800 0.077 0.000 1.201 385 D HN 0.233 nan 8.370 nan 0.000 0.432 386 L N 1.456 122.606 121.223 -0.122 0.000 2.439 386 L HA 0.085 4.462 4.340 0.061 0.000 0.269 386 L C 0.921 177.723 176.870 -0.113 0.000 1.179 386 L CA -0.068 54.623 54.840 -0.248 0.000 0.828 386 L CB 0.349 42.187 42.059 -0.368 0.000 1.106 386 L HN 0.076 nan 8.230 nan 0.000 0.467 387 K N 3.888 124.223 120.400 -0.108 0.000 2.220 387 K HA 0.339 4.696 4.320 0.061 0.000 0.283 387 K C -0.860 175.687 176.600 -0.088 0.000 1.098 387 K CA 0.032 56.280 56.287 -0.065 0.000 0.928 387 K CB 0.176 32.649 32.500 -0.045 0.000 1.214 387 K HN 0.359 nan 8.250 nan 0.000 0.442 388 L N 5.504 126.700 121.223 -0.046 0.000 2.326 388 L HA 0.356 4.732 4.340 0.061 0.000 0.278 388 L C -1.581 175.323 176.870 0.057 0.000 1.092 388 L CA -2.082 52.741 54.840 -0.028 0.000 0.810 388 L CB 0.442 42.540 42.059 0.065 0.000 1.153 388 L HN 0.439 nan 8.230 nan 0.000 0.439 389 P HA 0.105 nan 4.420 nan 0.000 0.274 389 P C -1.076 176.402 177.300 0.297 0.000 1.246 389 P CA -0.687 62.534 63.100 0.201 0.000 0.795 389 P CB 0.441 32.314 31.700 0.289 0.000 1.006 390 N N 1.112 119.950 118.700 0.230 0.000 2.414 390 N HA -0.043 4.733 4.740 0.061 0.000 0.268 390 N C 1.206 176.858 175.510 0.236 0.000 1.286 390 N CA -0.082 53.070 53.050 0.170 0.000 0.896 390 N CB -0.078 38.452 38.487 0.071 0.000 1.093 390 N HN 0.351 nan 8.380 nan 0.000 0.480 391 L N 3.223 124.538 121.223 0.153 0.000 2.081 391 L HA -0.192 4.185 4.340 0.061 0.000 0.212 391 L C 1.695 178.616 176.870 0.086 0.000 1.080 391 L CA 1.810 56.696 54.840 0.076 0.000 0.754 391 L CB -0.239 41.788 42.059 -0.053 0.000 0.893 391 L HN 0.600 nan 8.230 nan 0.000 0.433 392 E N -1.020 119.191 120.200 0.018 0.000 2.204 392 E HA -0.197 4.189 4.350 0.061 0.000 0.194 392 E C 1.563 178.097 176.600 -0.109 0.000 0.989 392 E CA 0.876 57.252 56.400 -0.041 0.000 0.824 392 E CB -0.088 29.584 29.700 -0.047 0.000 0.756 392 E HN 0.505 nan 8.360 nan 0.000 0.477 393 D N -0.126 120.163 120.400 -0.184 0.000 2.271 393 D HA -0.176 4.501 4.640 0.061 0.000 0.207 393 D C 0.854 176.740 176.300 -0.690 0.000 0.983 393 D CA 1.224 54.947 54.000 -0.461 0.000 0.878 393 D CB -0.064 40.359 40.800 -0.628 0.000 0.920 393 D HN 0.393 nan 8.370 nan 0.000 0.479 394 Y N 0.053 120.319 120.300 -0.056 0.000 2.444 394 Y HA 0.202 4.790 4.550 0.064 0.000 0.249 394 Y C 0.815 176.674 175.900 -0.069 0.000 1.134 394 Y CA -0.515 57.553 58.100 -0.054 0.000 1.261 394 Y CB -0.000 38.416 38.460 -0.072 0.000 1.143 394 Y HN -0.170 nan 8.280 nan 0.000 0.523 395 E N 1.339 121.535 120.200 -0.007 0.000 2.481 395 E HA 0.033 4.420 4.350 0.061 0.000 0.263 395 E C -0.524 176.047 176.600 -0.047 0.000 0.992 395 E CA -0.109 56.270 56.400 -0.035 0.000 0.938 395 E CB 0.649 30.306 29.700 -0.072 0.000 0.933 395 E HN -0.073 nan 8.360 nan 0.000 0.453 396 V N 6.390 126.281 119.914 -0.039 0.000 2.370 396 V HA 0.011 4.167 4.120 0.061 0.000 0.257 396 V C 0.958 176.961 176.094 -0.151 0.000 1.064 396 V CA 0.273 62.537 62.300 -0.060 0.000 0.975 396 V CB 0.693 32.522 31.823 0.011 0.000 1.067 396 V HN 0.741 nan 8.190 nan 0.000 0.485 397 K N 2.468 122.749 120.400 -0.198 0.000 2.366 397 K HA -0.044 4.313 4.320 0.061 0.000 0.198 397 K C 1.593 177.985 176.600 -0.346 0.000 1.044 397 K CA 0.540 56.685 56.287 -0.238 0.000 0.973 397 K CB 0.209 32.584 32.500 -0.207 0.000 0.767 397 K HN 0.606 nan 8.250 nan 0.000 0.475 398 E N 0.342 120.249 120.200 -0.488 0.000 2.265 398 E HA -0.143 4.243 4.350 0.061 0.000 0.196 398 E C 1.675 177.934 176.600 -0.568 0.000 0.996 398 E CA 0.666 56.625 56.400 -0.735 0.000 0.832 398 E CB -0.046 28.550 29.700 -1.841 0.000 0.756 398 E HN -0.003 nan 8.360 nan 0.000 0.491 399 V N 0.699 120.376 119.914 -0.396 0.000 2.307 399 V HA -0.277 3.880 4.120 0.061 0.000 0.245 399 V C 2.207 178.052 176.094 -0.415 0.000 1.045 399 V CA 1.805 63.904 62.300 -0.336 0.000 1.024 399 V CB -0.744 30.888 31.823 -0.318 0.000 0.651 399 V HN 0.386 nan 8.190 nan 0.000 0.449 400 A N -0.507 122.082 122.820 -0.385 0.000 1.978 400 A HA -0.258 4.098 4.320 0.061 0.000 0.220 400 A C 2.128 179.480 177.584 -0.388 0.000 1.170 400 A CA 2.111 53.932 52.037 -0.359 0.000 0.636 400 A CB -0.365 18.463 19.000 -0.287 0.000 0.810 400 A HN 0.680 nan 8.150 nan 0.000 0.448 401 E N -2.611 117.298 120.200 -0.485 0.000 2.276 401 E HA 0.006 4.392 4.350 0.061 0.000 0.193 401 E C 0.822 176.936 176.600 -0.809 0.000 0.983 401 E CA 0.753 56.741 56.400 -0.687 0.000 0.861 401 E CB 0.043 29.171 29.700 -0.953 0.000 0.817 401 E HN 0.814 nan 8.360 nan 0.000 0.485 402 Y N -0.378 119.730 120.300 -0.319 0.000 2.453 402 Y HA 0.361 4.948 4.550 0.060 0.000 0.247 402 Y C 0.738 176.555 175.900 -0.139 0.000 1.124 402 Y CA 0.218 58.195 58.100 -0.206 0.000 1.243 402 Y CB 1.817 40.156 38.460 -0.201 0.000 1.213 402 Y HN 0.007 nan 8.280 nan 0.000 0.523 403 G N 0.054 108.780 108.800 -0.124 0.000 2.539 403 G HA2 -0.137 3.860 3.960 0.061 0.000 0.686 403 G HA3 -0.137 3.860 3.960 0.061 0.000 0.686 403 G C -1.149 173.645 174.900 -0.177 0.000 1.258 403 G CA -1.164 43.844 45.100 -0.153 0.000 0.846 403 G HN 0.206 nan 8.290 nan 0.000 0.647 404 H N 0.257 119.226 119.070 -0.169 0.000 3.034 404 H HA 0.355 4.947 4.556 0.060 0.000 0.324 404 H C 1.581 176.924 175.328 0.025 0.000 1.015 404 H CA 2.026 57.935 56.048 -0.232 0.000 1.429 404 H CB 0.957 30.355 29.762 -0.607 0.000 1.429 404 H HN 2.179 nan 8.280 nan 0.000 0.585 405 G N 2.964 111.632 108.800 -0.220 0.000 2.179 405 G HA2 -0.235 3.761 3.960 0.061 0.000 0.220 405 G HA3 -0.235 3.761 3.960 0.061 0.000 0.220 405 G C 0.051 174.675 174.900 -0.460 0.000 0.990 405 G CA -0.067 44.593 45.100 -0.734 0.000 0.646 405 G HN 0.703 nan 8.290 nan 0.000 0.517 406 W N 1.334 122.403 121.300 -0.384 0.000 2.158 406 W HA 0.477 5.173 4.660 0.060 0.000 0.339 406 W C 0.887 177.227 176.519 -0.299 0.000 1.294 406 W CA 1.991 59.168 57.345 -0.280 0.000 1.231 406 W CB 0.603 29.959 29.460 -0.173 0.000 1.143 406 W HN 1.581 nan 8.180 nan 0.000 0.571 407 G N 3.627 111.545 108.800 -1.470 0.000 2.710 407 G HA2 -0.157 3.839 3.960 0.061 0.000 0.668 407 G HA3 -0.157 3.839 3.960 0.061 0.000 0.668 407 G C -0.544 173.804 174.900 -0.921 0.000 1.320 407 G CA -0.405 43.497 45.100 -1.998 0.000 0.860 407 G HN 0.619 nan 8.290 nan 0.000 0.538 408 Q N -0.207 119.155 119.800 -0.729 0.000 2.215 408 Q HA 0.305 4.681 4.340 0.061 0.000 0.337 408 Q C 0.799 176.662 176.000 -0.228 0.000 0.887 408 Q CA -0.168 55.416 55.803 -0.366 0.000 1.134 408 Q CB 0.619 29.191 28.738 -0.277 0.000 1.303 408 Q HN 0.563 nan 8.270 nan 0.000 0.421 409 L N 0.888 121.989 121.223 -0.204 0.000 2.467 409 L HA 0.111 4.487 4.340 0.061 0.000 0.270 409 L C 0.604 177.466 176.870 -0.014 0.000 1.205 409 L CA 0.427 55.236 54.840 -0.052 0.000 0.828 409 L CB 0.409 42.496 42.059 0.046 0.000 1.101 409 L HN 0.067 nan 8.230 nan 0.000 0.479 410 E N 1.035 121.245 120.200 0.016 0.000 2.055 410 E HA 0.216 4.602 4.350 0.061 0.000 0.274 410 E C 0.486 177.117 176.600 0.051 0.000 0.949 410 E CA -0.284 56.136 56.400 0.032 0.000 0.775 410 E CB 1.549 31.266 29.700 0.028 0.000 1.097 410 E HN 0.714 nan 8.360 nan 0.000 0.404 411 A N 2.941 125.801 122.820 0.066 0.000 1.978 411 A HA -0.215 4.141 4.320 0.061 0.000 0.220 411 A C 2.217 179.846 177.584 0.074 0.000 1.170 411 A CA 2.188 54.273 52.037 0.080 0.000 0.636 411 A CB -0.741 18.322 19.000 0.104 0.000 0.810 411 A HN 0.666 nan 8.150 nan 0.000 0.448 412 T N -2.547 112.047 114.554 0.066 0.000 3.035 412 T HA -0.061 4.326 4.350 0.061 0.000 0.268 412 T C 1.778 176.512 174.700 0.057 0.000 1.109 412 T CA 0.925 63.062 62.100 0.062 0.000 1.119 412 T CB -0.349 68.554 68.868 0.058 0.000 0.900 412 T HN 0.561 nan 8.240 nan 0.000 0.503 413 R N 0.866 121.397 120.500 0.052 0.000 2.105 413 R HA -0.055 4.321 4.340 0.061 0.000 0.239 413 R C 2.665 179.006 176.300 0.067 0.000 1.135 413 R CA 1.788 57.917 56.100 0.048 0.000 0.967 413 R CB -0.914 29.414 30.300 0.046 0.000 0.861 413 R HN 0.416 nan 8.270 nan 0.000 0.442 414 T N 1.864 116.467 114.554 0.081 0.000 2.708 414 T HA -0.139 4.247 4.350 0.061 0.000 0.266 414 T C 1.746 176.505 174.700 0.097 0.000 1.037 414 T CA 1.201 63.363 62.100 0.104 0.000 1.146 414 T CB -0.257 68.667 68.868 0.094 0.000 0.865 414 T HN 0.110 nan 8.240 nan 0.000 0.435 415 L N 1.533 122.808 121.223 0.088 0.000 2.079 415 L HA 0.046 4.423 4.340 0.061 0.000 0.210 415 L C 2.483 179.414 176.870 0.102 0.000 1.081 415 L CA 2.028 56.941 54.840 0.122 0.000 0.752 415 L CB -1.169 40.956 42.059 0.111 0.000 0.896 415 L HN 0.287 nan 8.230 nan 0.000 0.433 416 G N -1.016 107.821 108.800 0.061 0.000 2.440 416 G HA2 -0.281 3.716 3.960 0.061 0.000 0.218 416 G HA3 -0.281 3.716 3.960 0.061 0.000 0.218 416 G C 1.583 176.483 174.900 -0.001 0.000 1.154 416 G CA 0.868 45.978 45.100 0.016 0.000 0.767 416 G HN 0.650 nan 8.290 nan 0.000 0.552 417 A N -0.244 122.603 122.820 0.046 0.000 1.898 417 A HA 0.028 4.385 4.320 0.061 0.000 0.216 417 A C 2.167 179.737 177.584 -0.023 0.000 1.181 417 A CA 1.525 53.617 52.037 0.091 0.000 0.620 417 A CB -0.668 18.481 19.000 0.250 0.000 0.819 417 A HN 0.522 nan 8.150 nan 0.000 0.442 418 Y N 0.993 121.052 120.300 -0.402 0.000 2.145 418 Y HA -0.224 4.364 4.550 0.062 0.000 0.286 418 Y C 2.621 178.256 175.900 -0.442 0.000 1.145 418 Y CA 2.021 59.610 58.100 -0.851 0.000 1.148 418 Y CB -0.243 37.831 38.460 -0.644 0.000 0.981 418 Y HN 0.331 nan 8.280 nan 0.000 0.507 419 T N 1.094 115.473 114.554 -0.291 0.000 2.788 419 T HA -0.200 4.187 4.350 0.061 0.000 0.268 419 T C 1.859 176.327 174.700 -0.387 0.000 1.044 419 T CA 1.389 63.239 62.100 -0.417 0.000 1.139 419 T CB -0.350 68.440 68.868 -0.131 0.000 0.867 419 T HN 0.362 nan 8.240 nan 0.000 0.454 420 R N 1.205 121.579 120.500 -0.210 0.000 2.096 420 R HA -0.178 4.199 4.340 0.061 0.000 0.240 420 R C 1.521 177.719 176.300 -0.170 0.000 1.139 420 R CA 2.112 58.125 56.100 -0.145 0.000 0.952 420 R CB -0.308 29.954 30.300 -0.062 0.000 0.854 420 R HN 0.285 nan 8.270 nan 0.000 0.436 421 D N 0.122 120.420 120.400 -0.170 0.000 2.234 421 D HA -0.035 4.641 4.640 0.061 0.000 0.205 421 D C 1.969 178.108 176.300 -0.268 0.000 0.962 421 D CA 0.731 54.658 54.000 -0.120 0.000 0.855 421 D CB -0.031 40.808 40.800 0.065 0.000 0.951 421 D HN 0.356 nan 8.370 nan 0.000 0.500 422 I N 0.758 121.024 120.570 -0.507 0.000 2.226 422 I HA -0.238 3.969 4.170 0.061 0.000 0.245 422 I C 2.349 178.149 176.117 -0.528 0.000 1.100 422 I CA 0.821 61.724 61.300 -0.662 0.000 1.374 422 I CB -0.130 37.176 38.000 -1.156 0.000 1.057 422 I HN -0.050 nan 8.210 nan 0.000 0.413 423 I N 0.746 121.025 120.570 -0.485 0.000 2.142 423 I HA -0.336 3.871 4.170 0.061 0.000 0.240 423 I C 2.655 178.699 176.117 -0.121 0.000 1.078 423 I CA 1.492 62.650 61.300 -0.237 0.000 1.343 423 I CB -0.383 37.536 38.000 -0.135 0.000 1.046 423 I HN 0.180 nan 8.210 nan 0.000 0.405 424 K N 0.926 121.258 120.400 -0.114 0.000 2.074 424 K HA -0.238 4.119 4.320 0.061 0.000 0.209 424 K C 1.734 178.298 176.600 -0.060 0.000 1.048 424 K CA 1.962 58.211 56.287 -0.063 0.000 0.926 424 K CB -0.024 32.448 32.500 -0.047 0.000 0.713 424 K HN 0.241 nan 8.250 nan 0.000 0.444 425 N N 0.513 119.156 118.700 -0.094 0.000 2.446 425 N HA -0.030 4.747 4.740 0.061 0.000 0.179 425 N C -0.339 175.131 175.510 -0.066 0.000 1.054 425 N CA 0.661 53.666 53.050 -0.074 0.000 0.905 425 N CB 0.307 38.736 38.487 -0.096 0.000 0.973 425 N HN 0.228 nan 8.380 nan 0.000 0.448 426 N N 0.827 119.480 118.700 -0.079 0.000 2.723 426 N HA 0.184 4.960 4.740 0.061 0.000 0.290 426 N C -2.843 172.686 175.510 0.032 0.000 1.882 426 N CA -0.777 52.253 53.050 -0.033 0.000 0.851 426 N CB 1.981 40.425 38.487 -0.070 0.000 1.234 426 N HN 0.148 nan 8.380 nan 0.000 0.491 427 P HA 0.145 nan 4.420 nan 0.000 0.271 427 P C 0.466 177.824 177.300 0.097 0.000 1.218 427 P CA 0.118 63.252 63.100 0.055 0.000 0.780 427 P CB 0.888 32.610 31.700 0.037 0.000 0.901 428 R N 0.359 120.935 120.500 0.127 0.000 3.922 428 R HA -0.139 4.237 4.340 0.061 0.000 0.447 428 R C 0.133 176.566 176.300 0.221 0.000 1.035 428 R CA 1.004 57.202 56.100 0.162 0.000 1.289 428 R CB -2.397 27.976 30.300 0.122 0.000 1.906 428 R HN 0.546 nan 8.270 nan 0.000 0.540 429 D N -1.287 119.261 120.400 0.246 0.000 2.514 429 D HA 0.227 4.904 4.640 0.061 0.000 0.225 429 D C -0.544 176.012 176.300 0.427 0.000 1.159 429 D CA 0.100 54.266 54.000 0.276 0.000 0.823 429 D CB 0.532 41.458 40.800 0.209 0.000 1.097 429 D HN 0.039 nan 8.370 nan 0.000 0.519 430 F N 1.194 121.304 119.950 0.267 0.000 2.561 430 F HA 0.462 5.037 4.527 0.080 0.000 0.313 430 F C -0.916 174.967 175.800 0.138 0.000 1.126 430 F CA -0.691 57.449 58.000 0.232 0.000 0.918 430 F CB 1.445 40.443 39.000 -0.003 0.000 1.199 430 F HN -0.454 nan 8.300 nan 0.000 0.444 431 R N 5.766 126.163 120.500 -0.172 0.000 2.807 431 R HA 0.693 5.069 4.340 0.061 0.000 0.276 431 R C -1.479 174.631 176.300 -0.317 0.000 0.979 431 R CA -1.057 54.847 56.100 -0.326 0.000 0.928 431 R CB 2.667 32.451 30.300 -0.860 0.000 1.191 431 R HN 0.609 nan 8.270 nan 0.000 0.471 432 I N 2.211 122.632 120.570 -0.248 0.000 2.441 432 I HA 0.418 4.625 4.170 0.061 0.000 0.295 432 I C -0.921 175.026 176.117 -0.283 0.000 0.994 432 I CA -0.551 60.723 61.300 -0.044 0.000 1.144 432 I CB 1.196 39.269 38.000 0.122 0.000 1.314 432 I HN 0.331 nan 8.210 nan 0.000 0.445 433 F N 2.721 122.787 119.950 0.194 0.000 2.546 433 F HA 0.815 5.449 4.527 0.177 0.000 0.320 433 F C 0.518 176.488 175.800 0.283 0.000 1.076 433 F CA -0.653 57.463 58.000 0.194 0.000 0.928 433 F CB 2.372 41.441 39.000 0.115 0.000 1.189 433 F HN 0.402 nan 8.300 nan 0.000 0.465 434 G N 1.451 110.501 108.800 0.416 0.000 2.759 434 G HA2 0.528 4.525 3.960 0.061 0.000 0.297 434 G HA3 0.528 4.525 3.960 0.061 0.000 0.297 434 G C -3.236 171.817 174.900 0.256 0.000 1.434 434 G CA -1.540 43.776 45.100 0.360 0.000 0.980 434 G HN 0.235 nan 8.290 nan 0.000 0.531 435 P HA 0.253 nan 4.420 nan 0.000 0.225 435 P C -0.187 177.140 177.300 0.045 0.000 1.813 435 P CA -0.008 63.157 63.100 0.108 0.000 1.013 435 P CB 0.498 32.259 31.700 0.103 0.000 1.961 436 D N 1.002 121.447 120.400 0.074 0.000 2.981 436 D HA -0.167 4.509 4.640 0.061 0.000 0.223 436 D C 0.129 176.450 176.300 0.035 0.000 1.151 436 D CA 1.286 55.316 54.000 0.050 0.000 0.827 436 D CB -1.482 39.331 40.800 0.023 0.000 1.101 436 D HN 0.426 nan 8.370 nan 0.000 0.426 437 E N -2.095 118.138 120.200 0.055 0.000 2.641 437 E HA 0.122 4.508 4.350 0.061 0.000 0.224 437 E C 1.523 178.197 176.600 0.124 0.000 0.951 437 E CA 0.447 56.876 56.400 0.047 0.000 1.102 437 E CB 0.357 29.993 29.700 -0.106 0.000 1.091 437 E HN 0.236 nan 8.360 nan 0.000 0.507 438 T N 1.281 115.923 114.554 0.147 0.000 2.597 438 T HA -0.282 4.105 4.350 0.061 0.000 0.267 438 T C 2.044 176.795 174.700 0.085 0.000 1.053 438 T CA 1.847 64.031 62.100 0.139 0.000 1.165 438 T CB -0.196 68.786 68.868 0.191 0.000 0.863 438 T HN 0.278 nan 8.240 nan 0.000 0.427 439 A N 0.575 123.464 122.820 0.115 0.000 1.968 439 A HA -0.005 4.351 4.320 0.061 0.000 0.217 439 A C 2.551 180.194 177.584 0.098 0.000 1.169 439 A CA 1.871 53.953 52.037 0.076 0.000 0.638 439 A CB -0.904 18.182 19.000 0.144 0.000 0.812 439 A HN 0.446 nan 8.150 nan 0.000 0.446 440 S N 0.561 116.349 115.700 0.147 0.000 2.368 440 S HA -0.161 4.345 4.470 0.061 0.000 0.225 440 S C 1.590 176.302 174.600 0.187 0.000 1.030 440 S CA 1.567 59.887 58.200 0.200 0.000 0.999 440 S CB -0.509 62.884 63.200 0.320 0.000 0.844 440 S HN 0.642 nan 8.310 nan 0.000 0.459 441 N N 1.270 120.078 118.700 0.180 0.000 2.461 441 N HA 0.099 4.875 4.740 0.061 0.000 0.188 441 N C -0.183 175.373 175.510 0.077 0.000 1.134 441 N CA 0.287 53.417 53.050 0.134 0.000 0.878 441 N CB -0.142 38.429 38.487 0.139 0.000 0.972 441 N HN 0.468 nan 8.380 nan 0.000 0.456 442 R N -0.380 120.154 120.500 0.057 0.000 3.527 442 R HA -0.129 4.247 4.340 0.061 0.000 0.288 442 R C 0.037 176.327 176.300 -0.015 0.000 1.146 442 R CA 0.260 56.370 56.100 0.018 0.000 0.778 442 R CB -2.395 27.923 30.300 0.029 0.000 1.289 442 R HN 0.225 nan 8.270 nan 0.000 0.454 443 L N 1.431 122.633 121.223 -0.035 0.000 2.627 443 L HA -0.027 4.349 4.340 0.061 0.000 0.232 443 L C 2.449 179.171 176.870 -0.246 0.000 1.150 443 L CA 0.246 55.042 54.840 -0.074 0.000 0.917 443 L CB -0.209 41.846 42.059 -0.007 0.000 1.104 443 L HN 0.274 nan 8.230 nan 0.000 0.445 444 Q N 0.842 120.435 119.800 -0.345 0.000 2.500 444 Q HA -0.116 4.260 4.340 0.061 0.000 0.213 444 Q C 1.769 177.417 176.000 -0.587 0.000 0.974 444 Q CA 1.329 56.676 55.803 -0.759 0.000 0.918 444 Q CB -0.212 28.196 28.738 -0.549 0.000 0.980 444 Q HN 0.405 nan 8.270 nan 0.000 0.505 445 A N 1.024 123.673 122.820 -0.285 0.000 2.070 445 A HA -0.091 4.266 4.320 0.061 0.000 0.220 445 A C 2.296 179.783 177.584 -0.162 0.000 1.159 445 A CA 1.317 53.253 52.037 -0.168 0.000 0.656 445 A CB -0.531 18.431 19.000 -0.064 0.000 0.800 445 A HN 0.424 nan 8.150 nan 0.000 0.453 446 S N -0.899 114.678 115.700 -0.206 0.000 2.440 446 S HA -0.134 4.373 4.470 0.061 0.000 0.238 446 S C 1.319 175.933 174.600 0.023 0.000 1.010 446 S CA 0.982 59.124 58.200 -0.097 0.000 0.972 446 S CB -0.504 62.658 63.200 -0.062 0.000 0.774 446 S HN 0.703 nan 8.310 nan 0.000 0.501 447 Y N 1.807 122.028 120.300 -0.132 0.000 2.680 447 Y HA 0.068 4.652 4.550 0.057 0.000 0.303 447 Y C 1.848 177.653 175.900 -0.159 0.000 1.166 447 Y CA -0.399 57.575 58.100 -0.211 0.000 1.344 447 Y CB -1.004 37.108 38.460 -0.580 0.000 1.002 447 Y HN 0.427 nan 8.280 nan 0.000 0.537 448 E N -0.509 119.703 120.200 0.021 0.000 2.435 448 E HA -0.026 4.360 4.350 0.061 0.000 0.195 448 E C 1.633 178.253 176.600 0.033 0.000 1.029 448 E CA 1.002 57.418 56.400 0.027 0.000 0.865 448 E CB 0.177 29.882 29.700 0.008 0.000 0.833 448 E HN 0.390 nan 8.360 nan 0.000 0.510 449 V N -4.080 115.853 119.914 0.033 0.000 3.451 449 V HA 0.305 4.462 4.120 0.061 0.000 0.288 449 V C 0.455 176.564 176.094 0.025 0.000 1.502 449 V CA 0.083 62.395 62.300 0.019 0.000 1.026 449 V CB 1.095 32.917 31.823 -0.002 0.000 0.840 449 V HN 0.027 nan 8.190 nan 0.000 0.437 450 T N 0.006 114.594 114.554 0.057 0.000 2.626 450 T HA 0.508 4.895 4.350 0.061 0.000 0.299 450 T C -1.815 172.938 174.700 0.088 0.000 1.181 450 T CA -0.447 61.687 62.100 0.057 0.000 1.053 450 T CB 1.943 70.847 68.868 0.061 0.000 1.566 450 T HN 0.403 nan 8.240 nan 0.000 0.486 451 N N 0.720 119.461 118.700 0.068 0.000 2.525 451 N HA 0.385 5.162 4.740 0.061 0.000 0.270 451 N C -1.504 174.018 175.510 0.020 0.000 1.321 451 N CA -0.740 52.327 53.050 0.028 0.000 0.797 451 N CB 2.022 40.555 38.487 0.077 0.000 1.529 451 N HN 0.474 nan 8.380 nan 0.000 0.491 452 K N 1.151 121.503 120.400 -0.080 0.000 2.379 452 K HA 0.017 4.373 4.320 0.061 0.000 0.284 452 K C 0.166 176.829 176.600 0.105 0.000 1.044 452 K CA 0.048 56.331 56.287 -0.007 0.000 0.974 452 K CB 0.769 33.212 32.500 -0.095 0.000 0.962 452 K HN 0.393 nan 8.250 nan 0.000 0.474 453 Q N 3.540 123.411 119.800 0.118 0.000 2.297 453 Q HA 0.035 4.412 4.340 0.061 0.000 0.267 453 Q C -1.480 174.677 176.000 0.261 0.000 1.006 453 Q CA -0.040 55.856 55.803 0.155 0.000 0.896 453 Q CB 0.657 29.435 28.738 0.067 0.000 1.186 453 Q HN 0.625 nan 8.270 nan 0.000 0.392 454 W N 5.278 126.591 121.300 0.021 0.000 3.036 454 W HA 0.247 4.940 4.660 0.056 0.000 0.337 454 W C -1.666 174.854 176.519 0.002 0.000 1.055 454 W CA -0.597 56.721 57.345 -0.044 0.000 1.248 454 W CB 1.506 30.863 29.460 -0.172 0.000 1.335 454 W HN 0.731 nan 8.180 nan 0.000 0.446 455 D N 4.083 124.195 120.400 -0.478 0.000 2.772 455 D HA 0.359 5.035 4.640 0.061 0.000 0.272 455 D C 0.655 176.597 176.300 -0.596 0.000 1.314 455 D CA 0.241 54.018 54.000 -0.372 0.000 0.835 455 D CB 0.962 41.635 40.800 -0.211 0.000 1.080 455 D HN 0.299 nan 8.370 nan 0.000 0.482 456 A N -0.346 121.805 122.820 -1.115 0.000 2.637 456 A HA 0.829 5.185 4.320 0.061 0.000 0.258 456 A C 0.857 178.278 177.584 -0.271 0.000 1.250 456 A CA -0.524 51.085 52.037 -0.712 0.000 0.931 456 A CB 0.096 18.578 19.000 -0.863 0.000 1.488 456 A HN 0.182 nan 8.150 nan 0.000 0.464 457 G N -1.659 107.125 108.800 -0.026 0.000 2.527 457 G HA2 0.466 4.462 3.960 0.061 0.000 0.248 457 G HA3 0.466 4.462 3.960 0.061 0.000 0.248 457 G C -0.937 174.063 174.900 0.167 0.000 1.231 457 G CA 0.085 45.260 45.100 0.124 0.000 0.838 457 G HN 0.398 nan 8.290 nan 0.000 0.570 458 Y N -0.149 120.235 120.300 0.141 0.000 2.457 458 Y HA 0.456 5.043 4.550 0.061 0.000 0.333 458 Y C 1.320 177.249 175.900 0.048 0.000 1.119 458 Y CA -0.729 57.430 58.100 0.100 0.000 1.143 458 Y CB 1.937 40.430 38.460 0.055 0.000 1.230 458 Y HN 0.460 nan 8.280 nan 0.000 0.469 459 I N -2.654 118.006 120.570 0.151 0.000 4.770 459 I HA 0.444 4.651 4.170 0.061 0.000 0.327 459 I C -0.051 176.104 176.117 0.063 0.000 1.271 459 I CA 0.024 61.376 61.300 0.086 0.000 1.320 459 I CB 1.283 39.311 38.000 0.046 0.000 1.319 459 I HN 0.366 nan 8.210 nan 0.000 0.462 460 S N 1.956 117.691 115.700 0.058 0.000 2.579 460 S HA 0.156 4.662 4.470 0.061 0.000 0.290 460 S C -0.470 174.141 174.600 0.018 0.000 1.123 460 S CA -0.073 58.145 58.200 0.030 0.000 0.894 460 S CB 1.226 64.432 63.200 0.011 0.000 1.095 460 S HN 0.438 nan 8.310 nan 0.000 0.450 461 D N 2.833 123.239 120.400 0.009 0.000 2.351 461 D HA -0.084 4.592 4.640 0.061 0.000 0.216 461 D C 0.946 177.230 176.300 -0.027 0.000 0.968 461 D CA 0.917 54.911 54.000 -0.010 0.000 0.899 461 D CB -0.060 40.731 40.800 -0.015 0.000 0.907 461 D HN 0.752 nan 8.370 nan 0.000 0.514 462 E N -0.449 119.739 120.200 -0.021 0.000 2.427 462 E HA -0.022 4.365 4.350 0.061 0.000 0.196 462 E C 1.618 178.195 176.600 -0.037 0.000 1.028 462 E CA 0.873 57.258 56.400 -0.025 0.000 0.864 462 E CB 0.428 30.119 29.700 -0.015 0.000 0.813 462 E HN 0.471 nan 8.360 nan 0.000 0.514 463 V N -3.381 116.504 119.914 -0.047 0.000 3.480 463 V HA 0.128 4.284 4.120 0.061 0.000 0.263 463 V C 0.849 176.877 176.094 -0.110 0.000 1.442 463 V CA -0.023 62.235 62.300 -0.071 0.000 1.053 463 V CB 0.404 32.184 31.823 -0.072 0.000 0.846 463 V HN -0.106 nan 8.190 nan 0.000 0.440 464 D N 1.808 122.152 120.400 -0.094 0.000 2.344 464 D HA 0.154 4.831 4.640 0.061 0.000 0.242 464 D C 0.481 176.711 176.300 -0.116 0.000 1.159 464 D CA 0.192 54.126 54.000 -0.110 0.000 0.859 464 D CB -0.041 40.775 40.800 0.027 0.000 0.925 464 D HN 0.657 nan 8.370 nan 0.000 0.510 465 E N 0.540 120.640 120.200 -0.168 0.000 2.481 465 E HA -0.089 4.297 4.350 0.061 0.000 0.263 465 E C 0.322 176.735 176.600 -0.313 0.000 0.992 465 E CA 0.317 56.529 56.400 -0.313 0.000 0.938 465 E CB 0.213 29.693 29.700 -0.367 0.000 0.933 465 E HN 0.246 nan 8.360 nan 0.000 0.453 466 H N -0.028 118.980 119.070 -0.104 0.000 2.820 466 H HA -0.200 4.392 4.556 0.060 0.000 0.295 466 H C -0.511 174.693 175.328 -0.207 0.000 1.187 466 H CA 0.942 56.866 56.048 -0.206 0.000 1.144 466 H CB -1.639 27.833 29.762 -0.483 0.000 1.354 466 H HN 0.482 nan 8.280 nan 0.000 0.395 467 M N -0.114 119.499 119.600 0.021 0.000 2.535 467 M HA 0.517 5.033 4.480 0.061 0.000 0.314 467 M C 0.018 176.524 176.300 0.344 0.000 1.153 467 M CA -0.482 54.894 55.300 0.127 0.000 0.924 467 M CB 3.085 35.712 32.600 0.044 0.000 1.710 467 M HN 0.286 nan 8.290 nan 0.000 0.451 468 H N -0.398 118.821 119.070 0.247 0.000 3.014 468 H HA 0.359 4.951 4.556 0.059 0.000 0.337 468 H C 0.150 175.612 175.328 0.224 0.000 1.320 468 H CA -0.666 55.488 56.048 0.176 0.000 1.128 468 H CB 1.472 31.270 29.762 0.061 0.000 1.862 468 H HN 0.386 nan 8.280 nan 0.000 0.536 469 V N -0.515 119.231 119.914 -0.279 0.000 2.809 469 V HA 0.217 4.374 4.120 0.061 0.000 0.256 469 V C 0.258 176.354 176.094 0.005 0.000 1.080 469 V CA 1.387 63.641 62.300 -0.077 0.000 1.102 469 V CB -0.328 31.375 31.823 -0.201 0.000 0.705 469 V HN 0.395 nan 8.190 nan 0.000 0.475 470 S N -0.264 115.492 115.700 0.093 0.000 2.526 470 S HA 0.874 5.380 4.470 0.061 0.000 0.293 470 S C 0.012 174.737 174.600 0.208 0.000 1.092 470 S CA 0.047 58.337 58.200 0.151 0.000 0.980 470 S CB 1.669 64.963 63.200 0.156 0.000 1.048 470 S HN 1.018 nan 8.310 nan 0.000 0.483 471 G N 0.849 109.716 108.800 0.110 0.000 2.466 471 G HA2 0.380 4.376 3.960 0.061 0.000 0.291 471 G HA3 0.380 4.376 3.960 0.061 0.000 0.291 471 G C -0.948 173.960 174.900 0.014 0.000 1.460 471 G CA -0.559 44.589 45.100 0.080 0.000 0.791 471 G HN 0.397 nan 8.290 nan 0.000 0.505 472 Q N -0.822 118.983 119.800 0.009 0.000 2.360 472 Q HA 0.222 4.598 4.340 0.061 0.000 0.202 472 Q C 0.781 176.708 176.000 -0.122 0.000 0.915 472 Q CA 0.253 56.026 55.803 -0.050 0.000 0.943 472 Q CB 1.164 29.917 28.738 0.025 0.000 1.064 472 Q HN 0.302 nan 8.270 nan 0.000 0.511 473 V N 0.742 120.623 119.914 -0.055 0.000 2.513 473 V HA 0.472 4.628 4.120 0.061 0.000 0.299 473 V C -0.084 175.964 176.094 -0.077 0.000 1.035 473 V CA -0.740 61.524 62.300 -0.059 0.000 0.889 473 V CB 2.204 34.122 31.823 0.158 0.000 0.988 473 V HN -0.212 nan 8.190 nan 0.000 0.440 474 V N 3.961 123.804 119.914 -0.119 0.000 2.709 474 V HA 0.547 4.704 4.120 0.061 0.000 0.308 474 V C -0.520 175.713 176.094 0.233 0.000 1.062 474 V CA -0.601 61.752 62.300 0.089 0.000 0.901 474 V CB 2.145 34.081 31.823 0.189 0.000 1.003 474 V HN 0.950 nan 8.190 nan 0.000 0.425 475 E N 3.684 124.031 120.200 0.245 0.000 2.248 475 E HA 0.618 5.004 4.350 0.061 0.000 0.267 475 E C -1.189 175.556 176.600 0.242 0.000 0.877 475 E CA -0.644 55.896 56.400 0.233 0.000 0.759 475 E CB 3.220 33.019 29.700 0.165 0.000 1.182 475 E HN 0.655 nan 8.360 nan 0.000 0.418 476 Q N 2.226 122.136 119.800 0.182 0.000 2.377 476 Q HA 0.216 4.592 4.340 0.061 0.000 0.279 476 Q C -1.485 174.555 176.000 0.067 0.000 1.049 476 Q CA -0.867 55.019 55.803 0.138 0.000 0.825 476 Q CB 1.699 30.503 28.738 0.110 0.000 1.401 476 Q HN 0.392 nan 8.270 nan 0.000 0.404 477 L N 3.266 124.520 121.223 0.051 0.000 2.376 477 L HA 0.406 4.782 4.340 0.061 0.000 0.250 477 L C -1.252 175.612 176.870 -0.010 0.000 1.335 477 L CA 0.949 55.797 54.840 0.014 0.000 1.214 477 L CB -0.437 41.627 42.059 0.009 0.000 1.395 477 L HN 0.528 nan 8.230 nan 0.000 0.424 478 S N 1.674 117.354 115.700 -0.033 0.000 2.599 478 S HA 0.318 4.825 4.470 0.061 0.000 0.269 478 S C 0.641 175.158 174.600 -0.138 0.000 1.135 478 S CA -0.537 57.629 58.200 -0.058 0.000 1.027 478 S CB 0.756 63.918 63.200 -0.063 0.000 1.129 478 S HN 0.534 nan 8.310 nan 0.000 0.458 479 E N 2.238 122.354 120.200 -0.140 0.000 2.150 479 E HA -0.035 4.352 4.350 0.061 0.000 0.193 479 E C 1.040 177.374 176.600 -0.444 0.000 0.985 479 E CA 1.545 57.817 56.400 -0.213 0.000 0.814 479 E CB -0.126 29.545 29.700 -0.048 0.000 0.752 479 E HN 0.835 nan 8.360 nan 0.000 0.466 480 H N -0.110 118.825 119.070 -0.224 0.000 2.389 480 H HA -0.021 4.555 4.556 0.034 0.000 0.299 480 H C 1.909 176.972 175.328 -0.443 0.000 1.081 480 H CA 1.283 57.173 56.048 -0.263 0.000 1.345 480 H CB 0.164 29.868 29.762 -0.097 0.000 1.393 480 H HN 0.063 nan 8.280 nan 0.000 0.520 481 Q N -0.130 119.438 119.800 -0.387 0.000 2.016 481 Q HA -0.119 4.258 4.340 0.061 0.000 0.200 481 Q C 2.250 177.576 176.000 -1.124 0.000 0.978 481 Q CA 0.985 56.295 55.803 -0.823 0.000 0.833 481 Q CB -0.089 28.192 28.738 -0.762 0.000 0.895 481 Q HN 0.468 nan 8.270 nan 0.000 0.427 482 M N 0.605 119.699 119.600 -0.843 0.000 2.065 482 M HA -0.181 4.336 4.480 0.061 0.000 0.259 482 M C 2.121 177.674 176.300 -1.244 0.000 1.069 482 M CA 1.586 56.351 55.300 -0.892 0.000 1.110 482 M CB -1.293 30.878 32.600 -0.715 0.000 1.328 482 M HN 0.164 nan 8.290 nan 0.000 0.405 483 E N 0.076 119.456 120.200 -1.368 0.000 2.058 483 E HA -0.122 4.265 4.350 0.061 0.000 0.194 483 E C 2.050 178.258 176.600 -0.652 0.000 0.997 483 E CA 1.972 57.715 56.400 -1.095 0.000 0.801 483 E CB -0.715 28.560 29.700 -0.708 0.000 0.746 483 E HN 0.486 nan 8.360 nan 0.000 0.450 484 G N -0.461 108.013 108.800 -0.544 0.000 2.418 484 G HA2 -0.235 3.761 3.960 0.061 0.000 0.217 484 G HA3 -0.235 3.761 3.960 0.061 0.000 0.217 484 G C 1.545 176.390 174.900 -0.091 0.000 1.158 484 G CA 0.769 45.706 45.100 -0.270 0.000 0.771 484 G HN 0.356 nan 8.290 nan 0.000 0.545 485 F N -0.234 119.457 119.950 -0.432 0.000 2.069 485 F HA -0.087 4.466 4.527 0.043 0.000 0.298 485 F C 2.547 177.998 175.800 -0.582 0.000 1.113 485 F CA 0.475 58.178 58.000 -0.496 0.000 1.214 485 F CB -0.217 38.287 39.000 -0.825 0.000 0.978 485 F HN 0.130 nan 8.300 nan 0.000 0.474 486 L N 0.870 121.652 121.223 -0.735 0.000 2.017 486 L HA -0.214 4.162 4.340 0.061 0.000 0.208 486 L C 2.071 178.861 176.870 -0.133 0.000 1.073 486 L CA 1.807 56.412 54.840 -0.391 0.000 0.745 486 L CB -0.867 40.976 42.059 -0.360 0.000 0.894 486 L HN 0.092 nan 8.230 nan 0.000 0.432 487 E N -0.512 119.544 120.200 -0.239 0.000 2.070 487 E HA -0.282 4.105 4.350 0.061 0.000 0.197 487 E C 2.080 178.554 176.600 -0.211 0.000 1.004 487 E CA 1.543 57.762 56.400 -0.301 0.000 0.805 487 E CB -0.364 29.114 29.700 -0.370 0.000 0.744 487 E HN 0.661 nan 8.360 nan 0.000 0.451 488 A N -0.011 122.732 122.820 -0.128 0.000 2.016 488 A HA -0.127 4.230 4.320 0.061 0.000 0.217 488 A C 1.897 179.500 177.584 0.031 0.000 1.162 488 A CA 0.672 52.643 52.037 -0.110 0.000 0.662 488 A CB -0.476 18.521 19.000 -0.005 0.000 0.812 488 A HN 0.343 nan 8.150 nan 0.000 0.450 489 Y N 0.813 121.094 120.300 -0.031 0.000 2.224 489 Y HA -0.151 4.423 4.550 0.040 0.000 0.289 489 Y C 1.885 177.776 175.900 -0.016 0.000 1.146 489 Y CA 1.700 59.815 58.100 0.026 0.000 1.182 489 Y CB -0.208 38.333 38.460 0.134 0.000 0.983 489 Y HN 0.251 nan 8.280 nan 0.000 0.524 490 L N -1.027 120.188 121.223 -0.014 0.000 2.056 490 L HA -0.215 4.162 4.340 0.061 0.000 0.207 490 L C 2.291 179.106 176.870 -0.092 0.000 1.078 490 L CA 1.115 55.905 54.840 -0.083 0.000 0.749 490 L CB -0.725 41.328 42.059 -0.011 0.000 0.901 490 L HN 0.181 nan 8.230 nan 0.000 0.433 491 L N -0.232 120.939 121.223 -0.086 0.000 2.275 491 L HA -0.129 4.247 4.340 0.061 0.000 0.215 491 L C 2.166 179.004 176.870 -0.054 0.000 1.119 491 L CA 1.446 56.240 54.840 -0.077 0.000 0.790 491 L CB -0.605 41.344 42.059 -0.183 0.000 0.919 491 L HN 0.429 nan 8.230 nan 0.000 0.443 492 T N -4.032 110.473 114.554 -0.082 0.000 3.206 492 T HA 0.391 4.777 4.350 0.061 0.000 0.253 492 T C 1.201 175.834 174.700 -0.112 0.000 1.042 492 T CA 0.257 62.319 62.100 -0.064 0.000 0.931 492 T CB 0.598 69.444 68.868 -0.037 0.000 1.029 492 T HN 0.390 nan 8.240 nan 0.000 0.564 493 G N 0.996 109.704 108.800 -0.153 0.000 2.144 493 G HA2 -0.184 3.812 3.960 0.061 0.000 0.218 493 G HA3 -0.184 3.812 3.960 0.061 0.000 0.218 493 G C 0.089 174.819 174.900 -0.283 0.000 0.988 493 G CA -0.400 44.600 45.100 -0.167 0.000 0.659 493 G HN 0.614 nan 8.290 nan 0.000 0.522 494 R N -0.307 119.927 120.500 -0.442 0.000 3.024 494 R HA 0.896 5.273 4.340 0.061 0.000 0.224 494 R C 0.322 176.307 176.300 -0.525 0.000 1.490 494 R CA -0.604 55.190 56.100 -0.511 0.000 1.057 494 R CB 0.505 30.212 30.300 -0.990 0.000 1.723 494 R HN 0.424 nan 8.270 nan 0.000 0.520 495 H N -1.818 117.199 119.070 -0.088 0.000 2.928 495 H HA 0.720 5.315 4.556 0.064 0.000 0.371 495 H C -0.291 174.880 175.328 -0.262 0.000 1.186 495 H CA -0.738 55.291 56.048 -0.033 0.000 1.134 495 H CB 2.189 32.001 29.762 0.083 0.000 1.824 495 H HN 0.728 nan 8.280 nan 0.000 0.554 496 G N 0.067 108.641 108.800 -0.376 0.000 2.356 496 G HA2 0.388 4.384 3.960 0.061 0.000 0.281 496 G HA3 0.388 4.384 3.960 0.061 0.000 0.281 496 G C -1.900 172.867 174.900 -0.221 0.000 1.246 496 G CA -0.480 44.001 45.100 -1.032 0.000 0.889 496 G HN 0.583 nan 8.290 nan 0.000 0.486 497 I N 0.033 120.636 120.570 0.055 0.000 2.841 497 I HA 0.698 4.904 4.170 0.061 0.000 0.298 497 I C -1.509 174.892 176.117 0.474 0.000 1.304 497 I CA -1.051 60.462 61.300 0.354 0.000 1.019 497 I CB 1.960 40.254 38.000 0.489 0.000 1.282 497 I HN 0.936 nan 8.210 nan 0.000 0.432 498 W N 5.085 126.505 121.300 0.201 0.000 2.929 498 W HA 0.822 5.584 4.660 0.170 0.000 0.345 498 W C -1.627 174.978 176.519 0.143 0.000 1.151 498 W CA -1.094 56.370 57.345 0.199 0.000 1.111 498 W CB 0.760 30.339 29.460 0.198 0.000 1.449 498 W HN 0.635 nan 8.180 nan 0.000 0.572 499 S N 1.122 116.899 115.700 0.128 0.000 2.542 499 S HA 0.705 5.212 4.470 0.061 0.000 0.293 499 S C -1.290 173.209 174.600 -0.169 0.000 1.089 499 S CA -0.566 57.572 58.200 -0.103 0.000 0.961 499 S CB 2.013 65.243 63.200 0.049 0.000 1.062 499 S HN 0.765 nan 8.310 nan 0.000 0.483 500 S N 1.254 116.796 115.700 -0.263 0.000 2.541 500 S HA 0.582 5.089 4.470 0.061 0.000 0.271 500 S C -1.497 173.149 174.600 0.077 0.000 1.133 500 S CA -0.669 57.456 58.200 -0.125 0.000 0.876 500 S CB 0.489 63.502 63.200 -0.313 0.000 1.105 500 S HN 0.594 nan 8.310 nan 0.000 0.470 501 Y N 2.485 122.795 120.300 0.018 0.000 2.904 501 Y HA 0.016 4.606 4.550 0.065 0.000 0.336 501 Y C 1.977 177.786 175.900 -0.151 0.000 1.263 501 Y CA 0.332 58.402 58.100 -0.049 0.000 1.547 501 Y CB 0.081 38.520 38.460 -0.035 0.000 1.272 501 Y HN 0.945 nan 8.280 nan 0.000 0.596 502 E N 1.434 121.627 120.200 -0.012 0.000 2.038 502 E HA -0.223 4.163 4.350 0.061 0.000 0.195 502 E C 1.948 178.457 176.600 -0.151 0.000 1.000 502 E CA 1.973 58.328 56.400 -0.075 0.000 0.803 502 E CB 0.102 29.787 29.700 -0.025 0.000 0.750 502 E HN 0.748 nan 8.360 nan 0.000 0.448 503 S N -0.320 115.205 115.700 -0.291 0.000 2.419 503 S HA -0.137 4.369 4.470 0.061 0.000 0.233 503 S C 1.496 176.019 174.600 -0.127 0.000 1.016 503 S CA 0.903 58.936 58.200 -0.278 0.000 0.974 503 S CB -0.382 62.496 63.200 -0.536 0.000 0.786 503 S HN 0.273 nan 8.310 nan 0.000 0.492 504 F N 1.147 121.138 119.950 0.069 0.000 2.776 504 F HA 0.392 4.953 4.527 0.056 0.000 0.300 504 F C 2.064 177.892 175.800 0.047 0.000 1.116 504 F CA -1.330 56.701 58.000 0.052 0.000 1.375 504 F CB -0.867 38.147 39.000 0.024 0.000 1.109 504 F HN 0.023 nan 8.300 nan 0.000 0.585 505 V N 0.096 120.067 119.914 0.095 0.000 2.453 505 V HA -0.321 3.835 4.120 0.061 0.000 0.252 505 V C 2.464 178.585 176.094 0.046 0.000 1.068 505 V CA 1.919 64.229 62.300 0.017 0.000 1.070 505 V CB -0.764 30.976 31.823 -0.138 0.000 0.664 505 V HN 0.436 nan 8.190 nan 0.000 0.461 506 H N -0.691 118.432 119.070 0.087 0.000 2.491 506 H HA -0.051 4.542 4.556 0.061 0.000 0.290 506 H C 2.375 177.750 175.328 0.077 0.000 1.050 506 H CA 1.458 57.553 56.048 0.079 0.000 1.309 506 H CB -0.079 29.727 29.762 0.073 0.000 1.392 506 H HN 0.349 nan 8.280 nan 0.000 0.554 507 V N 1.808 121.845 119.914 0.204 0.000 2.439 507 V HA -0.254 3.903 4.120 0.061 0.000 0.253 507 V C 1.851 177.924 176.094 -0.035 0.000 1.074 507 V CA 2.054 64.394 62.300 0.068 0.000 1.076 507 V CB -0.466 31.345 31.823 -0.022 0.000 0.664 507 V HN 0.370 nan 8.190 nan 0.000 0.461 508 I N -3.791 116.771 120.570 -0.014 0.000 3.856 508 I HA 0.351 4.557 4.170 0.061 0.000 0.330 508 I C 1.038 177.181 176.117 0.043 0.000 1.546 508 I CA -0.125 61.147 61.300 -0.046 0.000 1.132 508 I CB -0.095 37.847 38.000 -0.097 0.000 1.157 508 I HN -0.119 nan 8.210 nan 0.000 0.440 509 D N 2.043 122.497 120.400 0.090 0.000 2.133 509 D HA -0.235 4.441 4.640 0.061 0.000 0.192 509 D C 2.350 178.705 176.300 0.091 0.000 1.001 509 D CA 2.387 56.447 54.000 0.100 0.000 0.844 509 D CB -0.074 40.817 40.800 0.152 0.000 0.944 509 D HN 0.613 nan 8.370 nan 0.000 0.447 510 S N -0.486 115.276 115.700 0.103 0.000 2.447 510 S HA -0.079 4.427 4.470 0.061 0.000 0.233 510 S C 2.039 176.668 174.600 0.049 0.000 1.006 510 S CA 0.545 58.807 58.200 0.104 0.000 0.957 510 S CB -0.273 63.020 63.200 0.154 0.000 0.773 510 S HN 0.217 nan 8.310 nan 0.000 0.507 511 M N 0.824 120.398 119.600 -0.045 0.000 2.200 511 M HA 0.108 4.625 4.480 0.061 0.000 0.265 511 M C 2.091 178.376 176.300 -0.026 0.000 1.066 511 M CA 1.121 56.308 55.300 -0.189 0.000 1.127 511 M CB -0.602 31.789 32.600 -0.349 0.000 1.379 511 M HN 0.312 nan 8.290 nan 0.000 0.420 512 L N 0.149 121.395 121.223 0.039 0.000 2.046 512 L HA -0.237 4.139 4.340 0.061 0.000 0.208 512 L C 2.199 179.143 176.870 0.123 0.000 1.077 512 L CA 0.955 55.856 54.840 0.101 0.000 0.747 512 L CB -0.904 41.212 42.059 0.095 0.000 0.896 512 L HN 0.349 nan 8.230 nan 0.000 0.432 513 N N -0.375 118.385 118.700 0.100 0.000 2.058 513 N HA -0.180 4.597 4.740 0.061 0.000 0.191 513 N C 1.903 177.481 175.510 0.114 0.000 1.037 513 N CA 1.083 54.195 53.050 0.104 0.000 0.848 513 N CB -0.342 38.201 38.487 0.093 0.000 1.021 513 N HN 0.274 nan 8.380 nan 0.000 0.422 514 Q N 0.268 120.136 119.800 0.114 0.000 2.077 514 Q HA -0.182 4.195 4.340 0.061 0.000 0.206 514 Q C 2.023 178.136 176.000 0.188 0.000 0.989 514 Q CA 1.476 57.361 55.803 0.138 0.000 0.853 514 Q CB -0.892 27.924 28.738 0.129 0.000 0.907 514 Q HN 0.615 nan 8.270 nan 0.000 0.418 515 H N 0.404 119.517 119.070 0.073 0.000 2.357 515 H HA 0.025 4.649 4.556 0.113 0.000 0.301 515 H C 1.799 177.220 175.328 0.156 0.000 1.082 515 H CA 1.767 57.865 56.048 0.083 0.000 1.342 515 H CB -0.035 29.730 29.762 0.006 0.000 1.389 515 H HN 0.257 nan 8.280 nan 0.000 0.511 516 A N 0.723 123.621 122.820 0.131 0.000 1.933 516 A HA -0.178 4.179 4.320 0.061 0.000 0.218 516 A C 2.223 179.850 177.584 0.073 0.000 1.175 516 A CA 1.808 53.897 52.037 0.086 0.000 0.628 516 A CB -0.333 18.736 19.000 0.115 0.000 0.814 516 A HN 0.481 nan 8.150 nan 0.000 0.444 517 K N -1.399 119.059 120.400 0.097 0.000 2.155 517 K HA -0.127 4.230 4.320 0.061 0.000 0.203 517 K C 1.898 178.539 176.600 0.069 0.000 1.052 517 K CA 1.007 57.337 56.287 0.071 0.000 0.948 517 K CB -0.224 32.316 32.500 0.066 0.000 0.728 517 K HN 0.777 nan 8.250 nan 0.000 0.448 518 W N 2.092 123.339 121.300 -0.090 0.000 2.333 518 W HA -0.212 4.531 4.660 0.139 0.000 0.316 518 W C 1.413 177.834 176.519 -0.164 0.000 1.215 518 W CA 1.468 58.736 57.345 -0.128 0.000 1.278 518 W CB -0.498 28.871 29.460 -0.151 0.000 1.154 518 W HN 0.005 nan 8.180 nan 0.000 0.486 519 L N 0.596 121.857 121.223 0.063 0.000 2.046 519 L HA -0.231 4.146 4.340 0.061 0.000 0.208 519 L C 2.546 179.391 176.870 -0.042 0.000 1.077 519 L CA 1.781 56.617 54.840 -0.006 0.000 0.747 519 L CB -1.028 41.018 42.059 -0.020 0.000 0.896 519 L HN -0.025 nan 8.230 nan 0.000 0.432 520 E N 0.398 120.590 120.200 -0.014 0.000 2.048 520 E HA -0.300 4.087 4.350 0.061 0.000 0.202 520 E C 2.277 178.842 176.600 -0.058 0.000 1.021 520 E CA 1.537 57.933 56.400 -0.008 0.000 0.825 520 E CB -0.306 29.405 29.700 0.019 0.000 0.756 520 E HN 0.520 nan 8.360 nan 0.000 0.454 521 A N 0.690 123.443 122.820 -0.112 0.000 1.940 521 A HA -0.196 4.161 4.320 0.061 0.000 0.219 521 A C 2.361 179.822 177.584 -0.206 0.000 1.176 521 A CA 2.010 53.954 52.037 -0.156 0.000 0.631 521 A CB -0.803 18.072 19.000 -0.209 0.000 0.814 521 A HN 0.214 nan 8.150 nan 0.000 0.446 522 T N -0.175 114.217 114.554 -0.269 0.000 2.732 522 T HA -0.105 4.281 4.350 0.061 0.000 0.261 522 T C 2.035 176.623 174.700 -0.186 0.000 1.040 522 T CA 1.968 63.886 62.100 -0.304 0.000 1.145 522 T CB -0.731 67.946 68.868 -0.319 0.000 0.866 522 T HN 0.638 nan 8.240 nan 0.000 0.427 523 V N 0.776 120.626 119.914 -0.106 0.000 2.515 523 V HA -0.081 4.076 4.120 0.061 0.000 0.250 523 V C 2.269 178.337 176.094 -0.043 0.000 1.058 523 V CA 1.329 63.595 62.300 -0.056 0.000 1.064 523 V CB -0.804 31.011 31.823 -0.013 0.000 0.675 523 V HN 0.296 nan 8.190 nan 0.000 0.461 524 R N 1.783 122.263 120.500 -0.033 0.000 2.062 524 R HA 0.001 4.378 4.340 0.061 0.000 0.229 524 R C 1.840 178.132 176.300 -0.013 0.000 1.128 524 R CA 1.816 57.920 56.100 0.006 0.000 0.960 524 R CB -0.142 30.187 30.300 0.048 0.000 0.855 524 R HN 0.889 nan 8.270 nan 0.000 0.432 525 E N -0.535 119.632 120.200 -0.053 0.000 2.948 525 E HA 0.148 4.535 4.350 0.061 0.000 0.186 525 E C -0.395 176.161 176.600 -0.073 0.000 0.951 525 E CA -0.113 56.270 56.400 -0.027 0.000 1.308 525 E CB 0.420 30.129 29.700 0.016 0.000 1.037 525 E HN 0.177 nan 8.360 nan 0.000 0.469 526 I N 1.658 122.103 120.570 -0.208 0.000 2.954 526 I HA 0.257 4.463 4.170 0.061 0.000 0.312 526 I C -1.936 173.868 176.117 -0.522 0.000 1.391 526 I CA -2.040 58.972 61.300 -0.481 0.000 0.906 526 I CB 0.975 38.557 38.000 -0.697 0.000 2.079 526 I HN -0.083 nan 8.210 nan 0.000 0.618 527 P HA -0.142 nan 4.420 nan 0.000 0.222 527 P C 1.432 178.670 177.300 -0.103 0.000 1.147 527 P CA 1.346 64.368 63.100 -0.130 0.000 0.790 527 P CB -0.083 31.608 31.700 -0.016 0.000 0.780 528 W N 0.494 121.748 121.300 -0.076 0.000 2.678 528 W HA 0.150 4.847 4.660 0.062 0.000 0.256 528 W C 0.616 177.105 176.519 -0.051 0.000 1.280 528 W CA -0.451 56.844 57.345 -0.084 0.000 1.345 528 W CB -1.088 28.281 29.460 -0.152 0.000 1.118 528 W HN -0.133 nan 8.180 nan 0.000 0.629 529 R N 3.341 123.523 120.500 -0.530 0.000 2.308 529 R HA 0.094 4.471 4.340 0.061 0.000 0.325 529 R C 0.388 176.587 176.300 -0.168 0.000 1.161 529 R CA -0.236 55.626 56.100 -0.397 0.000 1.022 529 R CB 0.424 30.265 30.300 -0.766 0.000 1.091 529 R HN -0.302 nan 8.270 nan 0.000 0.497 530 K N 4.080 124.465 120.400 -0.024 0.000 2.180 530 K HA 0.205 4.562 4.320 0.061 0.000 0.251 530 K C -2.284 174.319 176.600 0.006 0.000 1.014 530 K CA -1.967 54.319 56.287 -0.002 0.000 0.913 530 K CB 0.212 32.735 32.500 0.037 0.000 1.008 530 K HN 0.448 nan 8.250 nan 0.000 0.490 531 P HA 0.066 nan 4.420 nan 0.000 0.267 531 P C -0.204 177.120 177.300 0.041 0.000 1.205 531 P CA 0.116 63.236 63.100 0.034 0.000 0.765 531 P CB 0.213 31.940 31.700 0.045 0.000 0.828 532 I N -0.234 120.368 120.570 0.053 0.000 2.793 532 I HA 0.762 4.968 4.170 0.061 0.000 0.313 532 I C 0.159 176.299 176.117 0.039 0.000 0.998 532 I CA -1.548 59.770 61.300 0.031 0.000 1.140 532 I CB 1.559 39.588 38.000 0.049 0.000 1.327 532 I HN 0.202 nan 8.210 nan 0.000 0.491 533 A N 3.165 125.969 122.820 -0.027 0.000 2.448 533 A HA 0.344 4.701 4.320 0.061 0.000 0.239 533 A C 0.438 178.092 177.584 0.117 0.000 1.080 533 A CA -0.120 51.936 52.037 0.031 0.000 0.779 533 A CB -0.086 18.847 19.000 -0.111 0.000 1.026 533 A HN 0.802 nan 8.150 nan 0.000 0.499 534 S N 0.894 116.703 115.700 0.182 0.000 2.592 534 S HA 0.330 4.837 4.470 0.061 0.000 0.271 534 S C 0.293 175.019 174.600 0.209 0.000 1.326 534 S CA -0.381 57.942 58.200 0.204 0.000 1.024 534 S CB 0.545 63.870 63.200 0.207 0.000 0.921 534 S HN 0.669 nan 8.310 nan 0.000 0.527 535 M N 4.267 123.996 119.600 0.216 0.000 2.201 535 M HA 0.213 4.729 4.480 0.061 0.000 0.345 535 M C -1.068 175.356 176.300 0.208 0.000 1.352 535 M CA -0.352 55.059 55.300 0.185 0.000 1.218 535 M CB -0.971 31.688 32.600 0.099 0.000 1.512 535 M HN 0.438 nan 8.290 nan 0.000 0.447 536 N N 5.274 124.111 118.700 0.229 0.000 2.422 536 N HA 0.347 5.123 4.740 0.061 0.000 0.266 536 N C -1.136 174.453 175.510 0.131 0.000 1.007 536 N CA -0.437 52.718 53.050 0.174 0.000 0.941 536 N CB 1.913 40.520 38.487 0.200 0.000 1.115 536 N HN 0.557 nan 8.380 nan 0.000 0.492 537 L N 3.460 124.675 121.223 -0.014 0.000 2.342 537 L HA 0.401 4.777 4.340 0.061 0.000 0.276 537 L C -1.125 175.616 176.870 -0.215 0.000 0.997 537 L CA -0.929 53.748 54.840 -0.271 0.000 0.838 537 L CB 1.181 43.024 42.059 -0.361 0.000 1.224 537 L HN 0.366 nan 8.230 nan 0.000 0.416 538 L N 6.681 127.792 121.223 -0.187 0.000 2.369 538 L HA 0.395 4.771 4.340 0.061 0.000 0.279 538 L C -0.808 175.963 176.870 -0.165 0.000 1.108 538 L CA 0.381 55.154 54.840 -0.112 0.000 0.852 538 L CB 0.818 42.860 42.059 -0.027 0.000 1.169 538 L HN 0.427 nan 8.230 nan 0.000 0.452 539 V N 5.986 125.829 119.914 -0.119 0.000 2.318 539 V HA 0.570 4.726 4.120 0.061 0.000 0.271 539 V C 0.336 176.431 176.094 0.003 0.000 1.030 539 V CA 0.055 62.297 62.300 -0.097 0.000 0.844 539 V CB 0.426 32.187 31.823 -0.103 0.000 1.015 539 V HN 0.970 nan 8.190 nan 0.000 0.460 540 S N 2.819 118.539 115.700 0.032 0.000 2.998 540 S HA 0.561 5.067 4.470 0.061 0.000 0.323 540 S C 0.228 174.831 174.600 0.007 0.000 1.141 540 S CA 0.067 58.297 58.200 0.050 0.000 0.873 540 S CB 1.804 65.031 63.200 0.045 0.000 1.315 540 S HN 0.877 nan 8.310 nan 0.000 0.637 541 S N 1.770 117.401 115.700 -0.114 0.000 3.447 541 S HA -0.154 4.352 4.470 0.061 0.000 0.371 541 S C -0.194 174.265 174.600 -0.234 0.000 0.951 541 S CA 1.410 59.453 58.200 -0.261 0.000 1.269 541 S CB -2.140 60.796 63.200 -0.440 0.000 0.919 541 S HN 0.915 nan 8.310 nan 0.000 0.516 542 H N -1.821 117.224 119.070 -0.042 0.000 2.437 542 H HA 0.659 5.250 4.556 0.059 0.000 0.338 542 H C 1.574 176.785 175.328 -0.196 0.000 1.495 542 H CA -0.409 55.608 56.048 -0.051 0.000 1.453 542 H CB -0.372 29.501 29.762 0.185 0.000 1.707 542 H HN 0.065 nan 8.280 nan 0.000 0.655 543 V N -0.344 119.465 119.914 -0.174 0.000 2.392 543 V HA -0.235 3.921 4.120 0.061 0.000 0.249 543 V C 1.157 176.915 176.094 -0.559 0.000 1.059 543 V CA 1.856 63.753 62.300 -0.672 0.000 1.051 543 V CB -0.914 30.092 31.823 -1.361 0.000 0.658 543 V HN 0.784 nan 8.190 nan 0.000 0.455 544 W N -0.423 120.932 121.300 0.091 0.000 2.678 544 W HA 0.190 4.887 4.660 0.062 0.000 0.256 544 W C 1.592 178.178 176.519 0.112 0.000 1.280 544 W CA -0.189 57.211 57.345 0.091 0.000 1.345 544 W CB 0.092 29.621 29.460 0.116 0.000 1.118 544 W HN 0.008 nan 8.180 nan 0.000 0.629 545 R N 0.615 121.247 120.500 0.220 0.000 2.734 545 R HA 0.152 4.528 4.340 0.061 0.000 0.395 545 R C 0.018 176.276 176.300 -0.069 0.000 1.096 545 R CA -0.100 56.041 56.100 0.069 0.000 1.071 545 R CB -0.020 30.296 30.300 0.027 0.000 1.348 545 R HN 0.072 nan 8.270 nan 0.000 0.600 546 Q N 1.274 121.023 119.800 -0.085 0.000 3.027 546 Q HA 0.058 4.434 4.340 0.061 0.000 0.260 546 Q C -0.097 175.828 176.000 -0.125 0.000 1.379 546 Q CA 0.116 55.836 55.803 -0.137 0.000 1.038 546 Q CB 0.637 29.294 28.738 -0.133 0.000 1.578 546 Q HN 0.149 nan 8.270 nan 0.000 0.571 547 D N -0.433 119.868 120.400 -0.164 0.000 2.123 547 D HA -0.124 4.552 4.640 0.061 0.000 0.200 547 D C 1.116 177.267 176.300 -0.248 0.000 0.976 547 D CA 1.161 55.031 54.000 -0.217 0.000 0.831 547 D CB 0.285 40.873 40.800 -0.354 0.000 0.974 547 D HN 0.485 nan 8.370 nan 0.000 0.469 548 H N -0.187 118.843 119.070 -0.067 0.000 2.551 548 H HA 0.178 4.770 4.556 0.060 0.000 0.266 548 H C 0.950 176.220 175.328 -0.096 0.000 0.977 548 H CA 0.531 56.546 56.048 -0.055 0.000 1.163 548 H CB 0.537 30.277 29.762 -0.036 0.000 1.381 548 H HN 0.169 nan 8.280 nan 0.000 0.581 549 N N -0.625 118.019 118.700 -0.095 0.000 2.325 549 N HA 0.092 4.868 4.740 0.061 0.000 0.220 549 N C 1.162 176.585 175.510 -0.145 0.000 1.176 549 N CA 0.856 53.748 53.050 -0.264 0.000 0.861 549 N CB 2.279 40.273 38.487 -0.822 0.000 1.230 549 N HN 0.323 nan 8.380 nan 0.000 0.479 550 G N 1.821 110.601 108.800 -0.034 0.000 2.642 550 G HA2 -0.337 3.659 3.960 0.061 0.000 0.231 550 G HA3 -0.337 3.659 3.960 0.061 0.000 0.231 550 G C 0.364 175.388 174.900 0.207 0.000 1.338 550 G CA 0.109 45.269 45.100 0.100 0.000 0.883 550 G HN 0.145 nan 8.290 nan 0.000 0.570 551 F N 2.144 122.144 119.950 0.084 0.000 2.186 551 F HA 0.006 4.572 4.527 0.064 0.000 0.299 551 F C 3.043 178.923 175.800 0.133 0.000 1.090 551 F CA 2.346 60.404 58.000 0.098 0.000 1.307 551 F CB -0.466 38.587 39.000 0.089 0.000 1.019 551 F HN 0.749 nan 8.300 nan 0.000 0.489 552 S N -1.462 114.363 115.700 0.207 0.000 2.442 552 S HA -0.215 4.292 4.470 0.061 0.000 0.236 552 S C 1.246 175.906 174.600 0.099 0.000 1.007 552 S CA 1.334 59.619 58.200 0.142 0.000 0.965 552 S CB -0.931 62.443 63.200 0.291 0.000 0.773 552 S HN 0.522 nan 8.310 nan 0.000 0.504 553 H N 1.186 120.230 119.070 -0.044 0.000 2.537 553 H HA 0.463 5.057 4.556 0.063 0.000 0.295 553 H C -0.230 174.914 175.328 -0.306 0.000 1.054 553 H CA -0.097 55.825 56.048 -0.210 0.000 1.156 553 H CB 0.011 29.690 29.762 -0.138 0.000 1.468 553 H HN 0.531 nan 8.280 nan 0.000 0.551 554 Q N 0.987 120.661 119.800 -0.211 0.000 2.558 554 Q HA 0.248 4.624 4.340 0.061 0.000 0.252 554 Q C -1.128 174.604 176.000 -0.448 0.000 1.015 554 Q CA -0.405 55.159 55.803 -0.398 0.000 0.720 554 Q CB 1.560 30.116 28.738 -0.303 0.000 1.215 554 Q HN 0.155 nan 8.270 nan 0.000 0.500 555 D N 2.888 123.050 120.400 -0.397 0.000 2.312 555 D HA 0.106 4.783 4.640 0.061 0.000 0.229 555 D C -2.436 173.828 176.300 -0.060 0.000 1.337 555 D CA -1.370 52.544 54.000 -0.143 0.000 0.964 555 D CB 1.678 42.496 40.800 0.029 0.000 1.456 555 D HN 0.166 nan 8.370 nan 0.000 0.547 556 P HA 0.205 nan 4.420 nan 0.000 0.256 556 P C 1.174 178.550 177.300 0.128 0.000 1.384 556 P CA -0.040 62.985 63.100 -0.125 0.000 0.879 556 P CB 0.156 31.628 31.700 -0.379 0.000 1.403 557 G N 0.397 109.448 108.800 0.418 0.000 2.776 557 G HA2 -0.135 3.862 3.960 0.061 0.000 0.209 557 G HA3 -0.135 3.862 3.960 0.061 0.000 0.209 557 G C 1.348 176.383 174.900 0.225 0.000 1.145 557 G CA 0.006 45.425 45.100 0.532 0.000 0.791 557 G HN 0.247 nan 8.290 nan 0.000 0.530 558 V N 1.873 121.717 119.914 -0.117 0.000 2.453 558 V HA -0.246 3.911 4.120 0.061 0.000 0.252 558 V C 3.280 179.395 176.094 0.035 0.000 1.068 558 V CA 3.157 65.375 62.300 -0.137 0.000 1.070 558 V CB -0.703 30.994 31.823 -0.210 0.000 0.664 558 V HN 0.652 nan 8.190 nan 0.000 0.461 559 T N -1.829 112.793 114.554 0.113 0.000 2.653 559 T HA -0.260 4.126 4.350 0.061 0.000 0.268 559 T C 1.885 176.701 174.700 0.194 0.000 1.035 559 T CA 2.310 64.520 62.100 0.183 0.000 1.154 559 T CB -0.954 68.124 68.868 0.350 0.000 0.862 559 T HN 0.566 nan 8.240 nan 0.000 0.441 560 S N 1.130 116.971 115.700 0.235 0.000 2.383 560 S HA 0.015 4.521 4.470 0.061 0.000 0.227 560 S C 2.273 176.960 174.600 0.145 0.000 1.026 560 S CA 0.966 59.289 58.200 0.205 0.000 0.981 560 S CB -0.598 62.727 63.200 0.208 0.000 0.818 560 S HN 0.420 nan 8.310 nan 0.000 0.472 561 V N 2.322 122.317 119.914 0.136 0.000 2.358 561 V HA -0.116 4.041 4.120 0.061 0.000 0.246 561 V C 2.207 178.358 176.094 0.095 0.000 1.047 561 V CA 1.435 63.803 62.300 0.112 0.000 1.035 561 V CB -0.761 31.126 31.823 0.105 0.000 0.658 561 V HN 0.418 nan 8.190 nan 0.000 0.452 562 L N -0.646 120.622 121.223 0.075 0.000 2.131 562 L HA -0.153 4.224 4.340 0.061 0.000 0.210 562 L C 2.322 179.220 176.870 0.047 0.000 1.092 562 L CA 1.283 56.156 54.840 0.056 0.000 0.759 562 L CB -0.487 41.587 42.059 0.025 0.000 0.903 562 L HN 0.312 nan 8.230 nan 0.000 0.435 563 L N -0.182 121.071 121.223 0.050 0.000 2.353 563 L HA -0.175 4.201 4.340 0.061 0.000 0.220 563 L C 1.571 178.444 176.870 0.006 0.000 1.133 563 L CA 0.596 55.438 54.840 0.004 0.000 0.798 563 L CB -0.523 41.554 42.059 0.030 0.000 0.922 563 L HN 0.359 nan 8.230 nan 0.000 0.445 564 N N -0.127 118.639 118.700 0.110 0.000 2.461 564 N HA -0.030 4.746 4.740 0.061 0.000 0.188 564 N C 0.612 176.341 175.510 0.364 0.000 1.134 564 N CA 0.609 53.812 53.050 0.255 0.000 0.878 564 N CB 0.233 38.838 38.487 0.196 0.000 0.972 564 N HN 0.216 nan 8.380 nan 0.000 0.456 565 K N 0.073 120.590 120.400 0.194 0.000 2.758 565 K HA 0.279 4.636 4.320 0.061 0.000 0.208 565 K C -0.559 176.104 176.600 0.104 0.000 1.091 565 K CA -0.164 56.255 56.287 0.220 0.000 1.059 565 K CB 0.104 32.692 32.500 0.147 0.000 0.801 565 K HN -0.019 nan 8.250 nan 0.000 0.470 566 C N 1.521 120.714 119.300 -0.178 0.000 2.717 566 C HA 0.521 5.017 4.460 0.061 0.000 0.306 566 C C -0.371 174.207 174.990 -0.686 0.000 1.225 566 C CA -0.806 58.013 59.018 -0.331 0.000 1.658 566 C CB -1.636 25.926 27.740 -0.296 0.000 1.714 566 C HN 0.220 nan 8.230 nan 0.000 0.463 567 F N -0.595 119.369 119.950 0.024 0.000 2.611 567 F HA 0.517 5.078 4.527 0.057 0.000 0.324 567 F C 0.983 176.822 175.800 0.066 0.000 1.061 567 F CA -0.601 57.422 58.000 0.038 0.000 0.954 567 F CB 0.609 39.627 39.000 0.031 0.000 1.301 567 F HN 0.461 nan 8.300 nan 0.000 0.482 568 H N 1.006 120.166 119.070 0.151 0.000 3.080 568 H HA -0.226 4.366 4.556 0.060 0.000 0.254 568 H C 0.426 175.710 175.328 -0.073 0.000 1.179 568 H CA 0.529 56.606 56.048 0.047 0.000 1.144 568 H CB -1.429 28.365 29.762 0.054 0.000 1.261 568 H HN 0.661 nan 8.280 nan 0.000 0.333 569 N N -0.033 118.560 118.700 -0.178 0.000 2.708 569 N HA -0.210 4.567 4.740 0.061 0.000 0.249 569 N C 0.340 175.457 175.510 -0.656 0.000 1.097 569 N CA 1.221 53.941 53.050 -0.551 0.000 0.710 569 N CB -0.757 37.522 38.487 -0.348 0.000 1.032 569 N HN 0.660 nan 8.380 nan 0.000 0.551 570 D N 0.097 120.312 120.400 -0.308 0.000 2.144 570 D HA -0.118 4.558 4.640 0.061 0.000 0.199 570 D C 0.444 176.664 176.300 -0.134 0.000 0.984 570 D CA 0.981 54.892 54.000 -0.148 0.000 0.834 570 D CB -0.252 40.557 40.800 0.015 0.000 0.955 570 D HN 0.497 nan 8.370 nan 0.000 0.465 571 H N -0.940 118.156 119.070 0.044 0.000 2.626 571 H HA -0.109 4.482 4.556 0.059 0.000 0.317 571 H C 1.162 176.521 175.328 0.051 0.000 1.140 571 H CA 0.779 56.850 56.048 0.039 0.000 1.134 571 H CB -2.029 27.757 29.762 0.040 0.000 1.486 571 H HN 0.211 nan 8.280 nan 0.000 0.417 572 V N -2.558 117.434 119.914 0.130 0.000 3.621 572 V HA 0.273 4.429 4.120 0.061 0.000 0.285 572 V C 0.852 177.012 176.094 0.109 0.000 1.346 572 V CA 0.135 62.502 62.300 0.112 0.000 1.104 572 V CB 0.630 32.501 31.823 0.080 0.000 0.913 572 V HN 0.165 nan 8.190 nan 0.000 0.432 573 I N 1.810 122.436 120.570 0.094 0.000 2.466 573 I HA 0.757 4.963 4.170 0.061 0.000 0.289 573 I C 0.342 176.463 176.117 0.007 0.000 1.026 573 I CA -0.307 61.027 61.300 0.056 0.000 1.078 573 I CB 1.245 39.262 38.000 0.029 0.000 1.249 573 I HN 0.196 nan 8.210 nan 0.000 0.429 574 G N 6.837 115.625 108.800 -0.020 0.000 2.478 574 G HA2 0.761 4.757 3.960 0.061 0.000 0.317 574 G HA3 0.761 4.757 3.960 0.061 0.000 0.317 574 G C -0.813 173.852 174.900 -0.392 0.000 1.259 574 G CA -0.364 44.601 45.100 -0.224 0.000 0.933 574 G HN 0.471 nan 8.290 nan 0.000 0.478 575 I N 2.309 122.475 120.570 -0.673 0.000 2.448 575 I HA 0.306 4.512 4.170 0.061 0.000 0.281 575 I C -1.250 174.425 176.117 -0.737 0.000 1.027 575 I CA -0.669 60.319 61.300 -0.520 0.000 1.111 575 I CB 1.350 39.183 38.000 -0.278 0.000 1.236 575 I HN 0.339 nan 8.210 nan 0.000 0.452 576 Y N 5.210 125.295 120.300 -0.359 0.000 2.446 576 Y HA 0.555 5.139 4.550 0.057 0.000 0.345 576 Y C -0.590 174.983 175.900 -0.544 0.000 0.984 576 Y CA -0.913 57.005 58.100 -0.303 0.000 1.058 576 Y CB 1.830 40.212 38.460 -0.129 0.000 1.220 576 Y HN 0.277 nan 8.280 nan 0.000 0.455 577 F N 1.678 121.748 119.950 0.200 0.000 2.375 577 F HA 0.619 5.185 4.527 0.065 0.000 0.361 577 F C 0.251 176.126 175.800 0.125 0.000 1.117 577 F CA -1.149 56.908 58.000 0.095 0.000 1.037 577 F CB 1.228 40.273 39.000 0.074 0.000 1.192 577 F HN 0.573 nan 8.300 nan 0.000 0.452 578 A N 2.666 125.623 122.820 0.228 0.000 2.376 578 A HA 0.342 4.699 4.320 0.061 0.000 0.298 578 A C 1.142 178.878 177.584 0.254 0.000 1.271 578 A CA -0.265 51.894 52.037 0.203 0.000 0.926 578 A CB -0.167 18.916 19.000 0.139 0.000 1.141 578 A HN 0.874 nan 8.150 nan 0.000 0.539 579 T N 1.551 116.281 114.554 0.292 0.000 2.881 579 T HA -0.013 4.373 4.350 0.061 0.000 0.270 579 T C 0.407 175.351 174.700 0.406 0.000 1.068 579 T CA 1.846 64.160 62.100 0.357 0.000 1.131 579 T CB -0.431 68.701 68.868 0.441 0.000 0.871 579 T HN 0.986 nan 8.240 nan 0.000 0.479 580 D N -2.020 118.563 120.400 0.306 0.000 2.879 580 D HA 0.504 5.181 4.640 0.061 0.000 0.346 580 D C 0.736 177.131 176.300 0.159 0.000 1.390 580 D CA -0.158 53.986 54.000 0.241 0.000 0.838 580 D CB 0.272 41.220 40.800 0.247 0.000 1.416 580 D HN -0.115 nan 8.370 nan 0.000 0.493 581 A N -0.279 122.611 122.820 0.116 0.000 1.972 581 A HA -0.152 4.204 4.320 0.061 0.000 0.219 581 A C 1.632 179.252 177.584 0.059 0.000 1.169 581 A CA 1.671 53.760 52.037 0.085 0.000 0.635 581 A CB -0.970 18.078 19.000 0.081 0.000 0.810 581 A HN 0.506 nan 8.150 nan 0.000 0.446 582 N N -0.767 117.968 118.700 0.059 0.000 2.106 582 N HA -0.148 4.629 4.740 0.061 0.000 0.188 582 N C 1.615 177.150 175.510 0.041 0.000 1.029 582 N CA 1.799 54.868 53.050 0.032 0.000 0.848 582 N CB -0.460 38.038 38.487 0.019 0.000 1.007 582 N HN 0.479 nan 8.380 nan 0.000 0.423 583 M N 0.789 120.445 119.600 0.095 0.000 2.159 583 M HA -0.042 4.474 4.480 0.061 0.000 0.263 583 M C 1.800 178.130 176.300 0.051 0.000 1.063 583 M CA 0.981 56.343 55.300 0.104 0.000 1.110 583 M CB -0.552 32.163 32.600 0.190 0.000 1.374 583 M HN 0.115 nan 8.290 nan 0.000 0.411 584 L N -0.154 121.102 121.223 0.054 0.000 2.012 584 L HA -0.171 4.205 4.340 0.061 0.000 0.210 584 L C 2.105 178.950 176.870 -0.042 0.000 1.073 584 L CA 1.918 56.768 54.840 0.017 0.000 0.748 584 L CB -0.890 41.197 42.059 0.048 0.000 0.891 584 L HN 0.431 nan 8.230 nan 0.000 0.431 585 L N -0.807 120.379 121.223 -0.062 0.000 2.042 585 L HA -0.231 4.145 4.340 0.061 0.000 0.210 585 L C 2.647 179.420 176.870 -0.162 0.000 1.076 585 L CA 1.349 56.083 54.840 -0.177 0.000 0.749 585 L CB -0.904 41.041 42.059 -0.190 0.000 0.893 585 L HN 0.400 nan 8.230 nan 0.000 0.432 586 A N -0.013 122.752 122.820 -0.091 0.000 1.933 586 A HA -0.170 4.187 4.320 0.061 0.000 0.218 586 A C 2.194 179.707 177.584 -0.120 0.000 1.175 586 A CA 1.521 53.514 52.037 -0.072 0.000 0.628 586 A CB -0.592 18.398 19.000 -0.017 0.000 0.814 586 A HN 0.365 nan 8.150 nan 0.000 0.444 587 I N -0.521 119.952 120.570 -0.161 0.000 2.286 587 I HA -0.209 3.997 4.170 0.061 0.000 0.245 587 I C 2.972 178.891 176.117 -0.331 0.000 1.104 587 I CA 0.895 61.992 61.300 -0.338 0.000 1.397 587 I CB -0.292 37.505 38.000 -0.338 0.000 1.072 587 I HN 0.346 nan 8.210 nan 0.000 0.417 588 A N 0.410 123.093 122.820 -0.229 0.000 1.883 588 A HA -0.292 4.065 4.320 0.061 0.000 0.217 588 A C 2.308 179.809 177.584 -0.139 0.000 1.186 588 A CA 2.082 53.951 52.037 -0.280 0.000 0.624 588 A CB -0.759 18.210 19.000 -0.051 0.000 0.822 588 A HN 0.508 nan 8.150 nan 0.000 0.444 589 E N -0.159 120.082 120.200 0.068 0.000 2.070 589 E HA -0.282 4.104 4.350 0.061 0.000 0.197 589 E C 2.124 178.789 176.600 0.109 0.000 1.004 589 E CA 1.720 58.241 56.400 0.202 0.000 0.805 589 E CB -0.182 29.570 29.700 0.088 0.000 0.744 589 E HN 0.607 nan 8.360 nan 0.000 0.451 590 K N 0.000 120.392 120.400 -0.014 0.000 2.057 590 K HA -0.138 4.218 4.320 0.061 0.000 0.207 590 K C 2.197 178.795 176.600 -0.004 0.000 1.049 590 K CA 1.495 57.770 56.287 -0.020 0.000 0.931 590 K CB -0.187 32.253 32.500 -0.101 0.000 0.714 590 K HN 0.282 nan 8.250 nan 0.000 0.440 591 C N 0.325 119.563 119.300 -0.103 0.000 2.446 591 C HA -0.085 4.411 4.460 0.061 0.000 0.277 591 C C 2.456 177.519 174.990 0.123 0.000 1.275 591 C CA 0.295 59.286 59.018 -0.045 0.000 1.727 591 C CB -1.008 26.614 27.740 -0.197 0.000 2.010 591 C HN 0.490 nan 8.230 nan 0.000 0.486 592 Y N 1.457 121.842 120.300 0.142 0.000 2.421 592 Y HA -0.079 4.504 4.550 0.055 0.000 0.292 592 Y C 2.339 178.336 175.900 0.163 0.000 1.136 592 Y CA 1.034 59.240 58.100 0.177 0.000 1.255 592 Y CB -0.627 37.917 38.460 0.140 0.000 0.991 592 Y HN 0.424 nan 8.280 nan 0.000 0.552 593 K N -0.002 120.568 120.400 0.283 0.000 2.314 593 K HA 0.031 4.387 4.320 0.061 0.000 0.198 593 K C 1.152 177.865 176.600 0.187 0.000 1.045 593 K CA 0.549 56.960 56.287 0.207 0.000 0.988 593 K CB 0.025 32.617 32.500 0.153 0.000 0.783 593 K HN 0.181 nan 8.250 nan 0.000 0.484 594 S N 0.974 116.783 115.700 0.181 0.000 2.596 594 S HA 0.127 4.633 4.470 0.061 0.000 0.260 594 S C 0.256 174.958 174.600 0.170 0.000 1.336 594 S CA -0.453 57.843 58.200 0.160 0.000 0.993 594 S CB 0.886 64.179 63.200 0.155 0.000 0.923 594 S HN 0.232 nan 8.310 nan 0.000 0.567 595 T N -1.652 112.988 114.554 0.142 0.000 2.896 595 T HA 0.594 4.981 4.350 0.061 0.000 0.297 595 T C -0.465 174.307 174.700 0.121 0.000 1.108 595 T CA -0.966 61.211 62.100 0.129 0.000 1.004 595 T CB 0.964 69.895 68.868 0.105 0.000 1.159 595 T HN 0.617 nan 8.240 nan 0.000 0.499 596 N N 0.318 119.088 118.700 0.117 0.000 2.747 596 N HA -0.136 4.641 4.740 0.061 0.000 0.249 596 N C -0.654 174.928 175.510 0.119 0.000 1.107 596 N CA 1.029 54.142 53.050 0.104 0.000 0.707 596 N CB -0.964 37.567 38.487 0.074 0.000 1.054 596 N HN 0.779 nan 8.380 nan 0.000 0.555 597 K N -0.155 120.336 120.400 0.153 0.000 2.395 597 K HA 0.596 4.953 4.320 0.061 0.000 0.245 597 K C -0.001 176.722 176.600 0.204 0.000 1.017 597 K CA -0.823 55.561 56.287 0.162 0.000 0.852 597 K CB 1.879 34.477 32.500 0.164 0.000 1.311 597 K HN -0.051 nan 8.250 nan 0.000 0.452 598 I N 2.279 122.963 120.570 0.190 0.000 2.330 598 I HA 0.165 4.371 4.170 0.061 0.000 0.289 598 I C -0.692 175.513 176.117 0.146 0.000 1.001 598 I CA -0.697 60.720 61.300 0.194 0.000 1.193 598 I CB 0.993 39.109 38.000 0.193 0.000 1.345 598 I HN 0.306 nan 8.210 nan 0.000 0.461 599 N N 6.146 124.938 118.700 0.153 0.000 2.444 599 N HA 0.430 5.207 4.740 0.061 0.000 0.262 599 N C -0.435 175.131 175.510 0.094 0.000 0.974 599 N CA -0.346 52.801 53.050 0.162 0.000 0.933 599 N CB 2.149 40.765 38.487 0.215 0.000 1.137 599 N HN 0.581 nan 8.380 nan 0.000 0.498 600 A N 3.406 126.247 122.820 0.035 0.000 2.309 600 A HA 0.486 4.843 4.320 0.061 0.000 0.290 600 A C 0.236 177.814 177.584 -0.010 0.000 1.206 600 A CA -0.414 51.601 52.037 -0.037 0.000 0.850 600 A CB -0.124 18.818 19.000 -0.096 0.000 1.118 600 A HN 0.686 nan 8.150 nan 0.000 0.523 601 I N 4.369 124.923 120.570 -0.027 0.000 2.388 601 I HA 0.227 4.433 4.170 0.061 0.000 0.281 601 I C -0.678 175.402 176.117 -0.061 0.000 1.046 601 I CA -0.111 61.184 61.300 -0.009 0.000 1.187 601 I CB 0.892 38.879 38.000 -0.023 0.000 1.351 601 I HN 0.510 nan 8.210 nan 0.000 0.472 602 I N 6.024 126.519 120.570 -0.124 0.000 2.322 602 I HA 0.507 4.714 4.170 0.061 0.000 0.292 602 I C 0.455 176.582 176.117 0.017 0.000 1.060 602 I CA 0.221 61.455 61.300 -0.109 0.000 1.309 602 I CB 0.705 38.538 38.000 -0.280 0.000 1.415 602 I HN 0.604 nan 8.210 nan 0.000 0.492 603 A N 4.706 127.584 122.820 0.098 0.000 2.515 603 A HA 0.814 5.170 4.320 0.061 0.000 0.298 603 A C -0.249 177.470 177.584 0.226 0.000 1.059 603 A CA -0.611 51.523 52.037 0.162 0.000 0.698 603 A CB 1.354 20.415 19.000 0.102 0.000 1.289 603 A HN 0.689 nan 8.150 nan 0.000 0.404 604 G N -0.070 108.885 108.800 0.257 0.000 2.372 604 G HA2 0.469 4.465 3.960 0.061 0.000 0.283 604 G HA3 0.469 4.465 3.960 0.061 0.000 0.283 604 G C 0.423 175.358 174.900 0.059 0.000 1.177 604 G CA -0.074 45.130 45.100 0.173 0.000 0.842 604 G HN 0.976 nan 8.290 nan 0.000 0.503 605 K N 0.631 121.010 120.400 -0.035 0.000 2.358 605 K HA 0.116 4.473 4.320 0.061 0.000 0.200 605 K C 0.781 177.383 176.600 0.003 0.000 1.030 605 K CA -0.308 55.980 56.287 0.000 0.000 1.097 605 K CB 0.283 32.781 32.500 -0.003 0.000 0.862 605 K HN 0.519 nan 8.250 nan 0.000 0.534 606 Q N 1.681 121.478 119.800 -0.004 0.000 2.317 606 Q HA 0.319 4.696 4.340 0.061 0.000 0.229 606 Q C -2.608 173.417 176.000 0.042 0.000 0.984 606 Q CA -2.314 53.502 55.803 0.021 0.000 0.911 606 Q CB 0.282 29.041 28.738 0.035 0.000 1.217 606 Q HN -0.140 nan 8.270 nan 0.000 0.501 607 P HA 0.216 nan 4.420 nan 0.000 0.265 607 P C -1.367 175.946 177.300 0.022 0.000 1.193 607 P CA 0.481 63.584 63.100 0.005 0.000 0.765 607 P CB 0.524 32.217 31.700 -0.010 0.000 0.823 608 A N 2.471 125.283 122.820 -0.013 0.000 2.605 608 A HA 0.692 5.049 4.320 0.061 0.000 0.294 608 A C -0.794 176.726 177.584 -0.108 0.000 1.062 608 A CA -0.535 51.511 52.037 0.016 0.000 0.682 608 A CB 0.975 20.049 19.000 0.123 0.000 1.278 608 A HN 0.510 nan 8.150 nan 0.000 0.410 609 A N 0.563 123.275 122.820 -0.180 0.000 2.466 609 A HA 0.565 4.921 4.320 0.061 0.000 0.238 609 A C 0.465 177.744 177.584 -0.507 0.000 1.074 609 A CA 0.651 52.391 52.037 -0.496 0.000 0.774 609 A CB -0.303 18.160 19.000 -0.896 0.000 1.015 609 A HN 1.053 nan 8.150 nan 0.000 0.498 610 T N 1.740 116.026 114.554 -0.447 0.000 2.767 610 T HA 0.307 4.694 4.350 0.061 0.000 0.284 610 T C 0.262 174.715 174.700 -0.412 0.000 0.973 610 T CA -0.027 61.917 62.100 -0.260 0.000 0.996 610 T CB 0.542 69.419 68.868 0.014 0.000 0.927 610 T HN 0.725 nan 8.240 nan 0.000 0.456 611 W N 2.265 123.605 121.300 0.066 0.000 2.588 611 W HA 0.377 5.073 4.660 0.059 0.000 0.277 611 W C 0.368 176.780 176.519 -0.179 0.000 1.221 611 W CA -0.402 56.935 57.345 -0.013 0.000 1.355 611 W CB 0.321 29.838 29.460 0.096 0.000 1.083 611 W HN 0.321 nan 8.180 nan 0.000 0.581 612 L N 0.538 121.791 121.223 0.049 0.000 2.341 612 L HA 0.472 4.848 4.340 0.061 0.000 0.267 612 L C 0.691 177.505 176.870 -0.093 0.000 1.009 612 L CA -1.019 53.792 54.840 -0.049 0.000 0.819 612 L CB 1.614 43.700 42.059 0.046 0.000 1.323 612 L HN -0.252 nan 8.230 nan 0.000 0.425 613 T N -1.641 112.828 114.554 -0.142 0.000 2.828 613 T HA 0.167 4.554 4.350 0.061 0.000 0.290 613 T C 0.928 175.593 174.700 -0.057 0.000 1.019 613 T CA -0.614 61.408 62.100 -0.130 0.000 1.031 613 T CB 1.186 69.959 68.868 -0.157 0.000 1.001 613 T HN 0.449 nan 8.240 nan 0.000 0.531 614 L N 0.957 122.146 121.223 -0.056 0.000 2.012 614 L HA -0.053 4.323 4.340 0.061 0.000 0.210 614 L C 2.003 178.863 176.870 -0.015 0.000 1.073 614 L CA 2.036 56.857 54.840 -0.031 0.000 0.748 614 L CB -1.280 40.754 42.059 -0.043 0.000 0.891 614 L HN 0.749 nan 8.230 nan 0.000 0.431 615 D N -0.243 120.141 120.400 -0.026 0.000 2.116 615 D HA -0.232 4.445 4.640 0.061 0.000 0.193 615 D C 2.107 178.416 176.300 0.015 0.000 0.998 615 D CA 1.787 55.781 54.000 -0.009 0.000 0.836 615 D CB -0.168 40.619 40.800 -0.022 0.000 0.951 615 D HN 0.526 nan 8.370 nan 0.000 0.449 616 E N 0.302 120.508 120.200 0.010 0.000 2.153 616 E HA -0.087 4.299 4.350 0.061 0.000 0.194 616 E C 2.068 178.723 176.600 0.093 0.000 0.988 616 E CA 1.008 57.440 56.400 0.052 0.000 0.811 616 E CB -0.049 29.673 29.700 0.038 0.000 0.746 616 E HN 0.248 nan 8.360 nan 0.000 0.466 617 A N 1.264 124.131 122.820 0.078 0.000 1.873 617 A HA -0.150 4.206 4.320 0.061 0.000 0.215 617 A C 2.036 179.677 177.584 0.096 0.000 1.186 617 A CA 1.138 53.243 52.037 0.113 0.000 0.616 617 A CB -0.290 18.765 19.000 0.092 0.000 0.823 617 A HN 0.051 nan 8.150 nan 0.000 0.442 618 R N -0.407 120.128 120.500 0.058 0.000 2.105 618 R HA -0.106 4.270 4.340 0.061 0.000 0.239 618 R C 2.463 178.804 176.300 0.068 0.000 1.135 618 R CA 1.222 57.352 56.100 0.049 0.000 0.967 618 R CB -0.464 29.852 30.300 0.026 0.000 0.861 618 R HN 0.524 nan 8.270 nan 0.000 0.442 619 A N 1.156 124.021 122.820 0.074 0.000 1.858 619 A HA -0.241 4.116 4.320 0.061 0.000 0.216 619 A C 2.065 179.715 177.584 0.109 0.000 1.190 619 A CA 1.607 53.694 52.037 0.083 0.000 0.617 619 A CB -0.537 18.511 19.000 0.079 0.000 0.827 619 A HN 0.438 nan 8.150 nan 0.000 0.443 620 E N -0.671 119.617 120.200 0.147 0.000 2.085 620 E HA -0.227 4.159 4.350 0.061 0.000 0.194 620 E C 1.869 178.561 176.600 0.154 0.000 0.994 620 E CA 1.475 57.981 56.400 0.177 0.000 0.801 620 E CB -0.211 29.650 29.700 0.269 0.000 0.743 620 E HN 0.423 nan 8.360 nan 0.000 0.453 621 L N 1.656 122.966 121.223 0.144 0.000 2.141 621 L HA -0.143 4.233 4.340 0.061 0.000 0.209 621 L C 2.253 179.201 176.870 0.130 0.000 1.094 621 L CA 1.959 56.886 54.840 0.145 0.000 0.763 621 L CB -0.506 41.615 42.059 0.105 0.000 0.908 621 L HN 0.233 nan 8.230 nan 0.000 0.437 622 E N -0.263 119.997 120.200 0.101 0.000 2.065 622 E HA -0.332 4.054 4.350 0.061 0.000 0.201 622 E C 1.985 178.640 176.600 0.092 0.000 1.016 622 E CA 2.055 58.506 56.400 0.086 0.000 0.818 622 E CB -0.035 29.706 29.700 0.069 0.000 0.749 622 E HN 0.497 nan 8.360 nan 0.000 0.453 623 K N -1.880 118.578 120.400 0.096 0.000 2.314 623 K HA 0.063 4.420 4.320 0.061 0.000 0.198 623 K C 1.248 177.922 176.600 0.123 0.000 1.045 623 K CA 0.595 56.941 56.287 0.098 0.000 0.988 623 K CB 0.594 33.144 32.500 0.083 0.000 0.783 623 K HN 0.394 nan 8.250 nan 0.000 0.484 624 G N -0.005 108.881 108.800 0.143 0.000 2.254 624 G HA2 -0.215 3.782 3.960 0.061 0.000 0.225 624 G HA3 -0.215 3.782 3.960 0.061 0.000 0.225 624 G C -0.021 174.983 174.900 0.175 0.000 1.003 624 G CA -0.084 45.123 45.100 0.179 0.000 0.622 624 G HN 0.515 nan 8.290 nan 0.000 0.507 625 A N -0.715 122.179 122.820 0.124 0.000 2.549 625 A HA 1.105 5.461 4.320 0.061 0.000 0.297 625 A C -0.294 177.282 177.584 -0.014 0.000 1.061 625 A CA 0.345 52.414 52.037 0.053 0.000 0.690 625 A CB 1.465 20.504 19.000 0.065 0.000 1.287 625 A HN 2.207 nan 8.150 nan 0.000 0.402 626 A N 0.226 122.994 122.820 -0.085 0.000 2.572 626 A HA 0.899 5.255 4.320 0.061 0.000 0.295 626 A C -0.066 177.405 177.584 -0.189 0.000 1.072 626 A CA -0.007 51.996 52.037 -0.056 0.000 0.691 626 A CB 0.954 20.034 19.000 0.133 0.000 1.291 626 A HN 2.531 nan 8.150 nan 0.000 0.404 627 A N 0.334 123.057 122.820 -0.162 0.000 2.351 627 A HA 0.535 4.891 4.320 0.061 0.000 0.257 627 A C -1.001 176.607 177.584 0.039 0.000 1.087 627 A CA -0.003 51.919 52.037 -0.192 0.000 0.798 627 A CB -0.006 18.892 19.000 -0.171 0.000 1.033 627 A HN 0.848 nan 8.150 nan 0.000 0.488 628 W N 1.667 122.725 121.300 -0.404 0.000 2.351 628 W HA 0.327 5.023 4.660 0.060 0.000 0.320 628 W C -0.190 175.905 176.519 -0.707 0.000 0.947 628 W CA -1.224 55.723 57.345 -0.663 0.000 1.565 628 W CB 0.643 29.492 29.460 -1.017 0.000 1.409 628 W HN 0.822 nan 8.180 nan 0.000 0.399 629 D N 0.891 121.166 120.400 -0.208 0.000 2.182 629 D HA -0.206 4.470 4.640 0.061 0.000 0.201 629 D C 2.124 178.352 176.300 -0.120 0.000 0.986 629 D CA 1.447 55.372 54.000 -0.126 0.000 0.847 629 D CB -0.195 40.598 40.800 -0.012 0.000 0.942 629 D HN 0.545 nan 8.370 nan 0.000 0.467 630 W N 0.699 121.986 121.300 -0.021 0.000 2.611 630 W HA 0.226 4.922 4.660 0.060 0.000 0.251 630 W C 1.302 177.843 176.519 0.037 0.000 1.265 630 W CA 0.692 58.011 57.345 -0.042 0.000 1.295 630 W CB -0.651 28.692 29.460 -0.195 0.000 1.129 630 W HN -0.070 nan 8.180 nan 0.000 0.630 631 A N 0.613 123.159 122.820 -0.458 0.000 2.343 631 A HA 0.252 4.609 4.320 0.061 0.000 0.223 631 A C 0.877 178.459 177.584 -0.004 0.000 1.214 631 A CA -0.032 51.879 52.037 -0.210 0.000 0.900 631 A CB -0.383 18.217 19.000 -0.667 0.000 0.942 631 A HN 0.026 nan 8.150 nan 0.000 0.507 632 S N 0.304 115.938 115.700 -0.111 0.000 2.554 632 S HA 0.354 4.861 4.470 0.061 0.000 0.278 632 S C 1.350 175.774 174.600 -0.292 0.000 1.242 632 S CA 0.197 58.306 58.200 -0.153 0.000 1.051 632 S CB 1.489 64.598 63.200 -0.152 0.000 0.986 632 S HN 0.546 nan 8.310 nan 0.000 0.502 633 T N -0.730 113.429 114.554 -0.658 0.000 3.051 633 T HA 0.325 4.712 4.350 0.061 0.000 0.255 633 T C 0.719 175.207 174.700 -0.353 0.000 1.085 633 T CA 0.116 61.901 62.100 -0.525 0.000 1.109 633 T CB -0.010 68.421 68.868 -0.730 0.000 0.921 633 T HN 0.626 nan 8.240 nan 0.000 0.488 634 A N 1.433 124.050 122.820 -0.339 0.000 2.388 634 A HA 0.486 4.842 4.320 0.061 0.000 0.257 634 A C 1.076 178.579 177.584 -0.135 0.000 1.095 634 A CA -0.604 51.317 52.037 -0.194 0.000 0.791 634 A CB 0.528 19.437 19.000 -0.152 0.000 1.029 634 A HN 0.368 nan 8.150 nan 0.000 0.489 635 K N 0.449 120.793 120.400 -0.094 0.000 2.361 635 K HA 0.019 4.375 4.320 0.061 0.000 0.196 635 K C -0.010 176.557 176.600 -0.055 0.000 1.039 635 K CA 1.203 57.449 56.287 -0.067 0.000 1.001 635 K CB -0.029 32.442 32.500 -0.050 0.000 0.795 635 K HN 0.946 nan 8.250 nan 0.000 0.495 636 N N -2.342 116.324 118.700 -0.057 0.000 3.308 636 N HA 0.083 4.859 4.740 0.061 0.000 0.276 636 N C -0.319 175.163 175.510 -0.047 0.000 1.533 636 N CA -0.741 52.282 53.050 -0.045 0.000 0.878 636 N CB 0.127 38.596 38.487 -0.031 0.000 1.566 636 N HN -0.376 nan 8.380 nan 0.000 0.546 637 N N -0.318 118.360 118.700 -0.038 0.000 2.188 637 N HA -0.066 4.710 4.740 0.061 0.000 0.184 637 N C 0.131 175.628 175.510 -0.021 0.000 1.018 637 N CA 1.153 54.184 53.050 -0.033 0.000 0.858 637 N CB -0.350 38.124 38.487 -0.021 0.000 0.989 637 N HN 0.544 nan 8.380 nan 0.000 0.426 638 D N 0.313 120.703 120.400 -0.015 0.000 2.269 638 D HA -0.122 4.555 4.640 0.061 0.000 0.208 638 D C 1.303 177.596 176.300 -0.013 0.000 0.963 638 D CA 0.516 54.511 54.000 -0.008 0.000 0.864 638 D CB 0.168 40.966 40.800 -0.004 0.000 0.936 638 D HN 0.518 nan 8.370 nan 0.000 0.505 639 E N 0.848 121.034 120.200 -0.023 0.000 2.481 639 E HA 0.060 4.446 4.350 0.061 0.000 0.195 639 E C 0.237 176.817 176.600 -0.034 0.000 1.047 639 E CA -0.210 56.173 56.400 -0.029 0.000 0.867 639 E CB 0.280 29.957 29.700 -0.038 0.000 0.858 639 E HN -0.015 nan 8.360 nan 0.000 0.513 640 A N 1.437 124.237 122.820 -0.034 0.000 2.492 640 A HA 0.033 4.389 4.320 0.061 0.000 0.254 640 A C 0.545 178.126 177.584 -0.004 0.000 1.091 640 A CA -0.120 51.900 52.037 -0.029 0.000 0.768 640 A CB 0.327 19.307 19.000 -0.033 0.000 1.028 640 A HN 0.337 nan 8.150 nan 0.000 0.498 641 E N 1.235 121.443 120.200 0.013 0.000 2.230 641 E HA 0.131 4.517 4.350 0.061 0.000 0.192 641 E C 0.155 176.768 176.600 0.021 0.000 0.987 641 E CA 0.913 57.330 56.400 0.029 0.000 0.841 641 E CB 0.384 30.116 29.700 0.053 0.000 0.783 641 E HN 0.459 nan 8.360 nan 0.000 0.481 642 V N 0.320 120.248 119.914 0.024 0.000 3.077 642 V HA 0.227 4.384 4.120 0.061 0.000 0.299 642 V C -1.655 174.427 176.094 -0.020 0.000 1.276 642 V CA -0.887 61.404 62.300 -0.015 0.000 0.993 642 V CB 2.350 34.149 31.823 -0.041 0.000 1.076 642 V HN -0.211 nan 8.190 nan 0.000 0.434 643 V N 6.619 126.481 119.914 -0.086 0.000 2.370 643 V HA 0.485 4.641 4.120 0.061 0.000 0.279 643 V C -0.097 175.878 176.094 -0.198 0.000 1.029 643 V CA -0.475 61.748 62.300 -0.129 0.000 0.870 643 V CB 1.405 33.143 31.823 -0.142 0.000 0.984 643 V HN 0.672 nan 8.190 nan 0.000 0.451 644 L N 5.262 126.338 121.223 -0.245 0.000 2.259 644 L HA 0.733 5.110 4.340 0.061 0.000 0.288 644 L C 0.399 177.015 176.870 -0.423 0.000 1.051 644 L CA -0.068 54.564 54.840 -0.347 0.000 0.824 644 L CB 0.929 42.727 42.059 -0.434 0.000 1.206 644 L HN 0.730 nan 8.230 nan 0.000 0.429 645 A N 3.332 125.876 122.820 -0.459 0.000 2.355 645 A HA 0.961 5.317 4.320 0.061 0.000 0.324 645 A C -0.569 176.521 177.584 -0.822 0.000 1.117 645 A CA -0.409 51.234 52.037 -0.655 0.000 0.785 645 A CB 1.752 20.382 19.000 -0.616 0.000 1.254 645 A HN 0.725 nan 8.150 nan 0.000 0.453 646 A N 0.320 122.625 122.820 -0.858 0.000 2.515 646 A HA 0.875 5.231 4.320 0.061 0.000 0.298 646 A C -0.524 176.733 177.584 -0.546 0.000 1.059 646 A CA 0.027 51.661 52.037 -0.673 0.000 0.698 646 A CB 1.547 20.219 19.000 -0.547 0.000 1.289 646 A HN 2.426 nan 8.150 nan 0.000 0.404 647 A N 0.916 123.544 122.820 -0.320 0.000 2.411 647 A HA 0.871 5.227 4.320 0.061 0.000 0.285 647 A C 0.131 177.448 177.584 -0.445 0.000 1.129 647 A CA 0.139 52.011 52.037 -0.275 0.000 0.736 647 A CB 0.494 19.453 19.000 -0.069 0.000 1.186 647 A HN 2.822 nan 8.150 nan 0.000 0.445 648 G N 2.749 111.411 108.800 -0.230 0.000 2.697 648 G HA2 0.217 4.213 3.960 0.061 0.000 0.684 648 G HA3 0.217 4.213 3.960 0.061 0.000 0.684 648 G C 0.051 174.961 174.900 0.017 0.000 1.274 648 G CA 0.150 45.210 45.100 -0.067 0.000 0.806 648 G HN 1.052 nan 8.290 nan 0.000 0.644 649 D N 0.240 120.721 120.400 0.135 0.000 2.133 649 D HA -0.166 4.511 4.640 0.061 0.000 0.195 649 D C 2.307 178.696 176.300 0.149 0.000 0.997 649 D CA 2.084 56.212 54.000 0.213 0.000 0.840 649 D CB -0.219 40.763 40.800 0.303 0.000 0.947 649 D HN 0.441 nan 8.370 nan 0.000 0.452 650 V N 1.378 121.320 119.914 0.048 0.000 2.446 650 V HA -0.068 4.088 4.120 0.061 0.000 0.244 650 V C -0.574 175.354 176.094 -0.277 0.000 1.039 650 V CA 1.179 63.434 62.300 -0.075 0.000 1.045 650 V CB -1.030 30.724 31.823 -0.115 0.000 0.681 650 V HN 0.141 nan 8.190 nan 0.000 0.459 651 P HA -0.127 nan 4.420 nan 0.000 0.216 651 P C 1.775 178.883 177.300 -0.320 0.000 1.150 651 P CA 1.678 64.546 63.100 -0.387 0.000 0.837 651 P CB -0.139 31.360 31.700 -0.336 0.000 0.786 652 T N -0.795 113.603 114.554 -0.261 0.000 2.777 652 T HA -0.198 4.188 4.350 0.061 0.000 0.266 652 T C 1.870 176.376 174.700 -0.323 0.000 1.040 652 T CA 1.295 63.185 62.100 -0.350 0.000 1.141 652 T CB -0.613 68.088 68.868 -0.280 0.000 0.868 652 T HN 0.288 nan 8.240 nan 0.000 0.444 653 Q N 0.515 120.282 119.800 -0.055 0.000 2.084 653 Q HA -0.185 4.191 4.340 0.061 0.000 0.202 653 Q C 2.059 177.989 176.000 -0.117 0.000 0.978 653 Q CA 1.324 57.212 55.803 0.141 0.000 0.844 653 Q CB 0.015 28.915 28.738 0.271 0.000 0.898 653 Q HN 0.368 nan 8.270 nan 0.000 0.426 654 E N 0.694 120.760 120.200 -0.223 0.000 2.047 654 E HA -0.150 4.237 4.350 0.061 0.000 0.191 654 E C 2.161 178.521 176.600 -0.400 0.000 0.987 654 E CA 0.655 56.862 56.400 -0.320 0.000 0.799 654 E CB -0.275 29.256 29.700 -0.283 0.000 0.752 654 E HN 0.404 nan 8.360 nan 0.000 0.449 655 I N 1.080 121.414 120.570 -0.394 0.000 2.151 655 I HA -0.264 3.942 4.170 0.061 0.000 0.243 655 I C 2.248 178.101 176.117 -0.440 0.000 1.080 655 I CA 1.226 62.266 61.300 -0.434 0.000 1.339 655 I CB -0.767 36.952 38.000 -0.468 0.000 1.039 655 I HN 0.144 nan 8.210 nan 0.000 0.409 656 M N 0.144 119.489 119.600 -0.426 0.000 2.117 656 M HA -0.129 4.388 4.480 0.061 0.000 0.262 656 M C 2.450 178.678 176.300 -0.120 0.000 1.065 656 M CA 1.839 56.952 55.300 -0.311 0.000 1.114 656 M CB -1.467 30.830 32.600 -0.505 0.000 1.361 656 M HN 0.248 nan 8.290 nan 0.000 0.408 657 A N -0.170 122.330 122.820 -0.533 0.000 1.930 657 A HA 0.075 4.432 4.320 0.061 0.000 0.217 657 A C 2.379 179.595 177.584 -0.614 0.000 1.175 657 A CA 1.807 53.194 52.037 -1.083 0.000 0.627 657 A CB -0.847 17.042 19.000 -1.851 0.000 0.815 657 A HN 0.466 nan 8.150 nan 0.000 0.443 658 A N 0.304 122.813 122.820 -0.519 0.000 2.019 658 A HA -0.078 4.279 4.320 0.061 0.000 0.219 658 A C 2.475 179.818 177.584 -0.401 0.000 1.164 658 A CA 2.208 53.985 52.037 -0.434 0.000 0.644 658 A CB -0.795 17.952 19.000 -0.421 0.000 0.805 658 A HN 0.960 nan 8.150 nan 0.000 0.449 659 S N -0.298 115.164 115.700 -0.396 0.000 2.387 659 S HA -0.140 4.367 4.470 0.061 0.000 0.226 659 S C 1.465 176.012 174.600 -0.087 0.000 1.026 659 S CA 1.293 59.179 58.200 -0.523 0.000 0.972 659 S CB -0.406 62.505 63.200 -0.481 0.000 0.814 659 S HN 0.433 nan 8.310 nan 0.000 0.477 660 D N 1.867 122.336 120.400 0.114 0.000 2.144 660 D HA -0.017 4.660 4.640 0.061 0.000 0.199 660 D C 2.028 178.383 176.300 0.091 0.000 0.984 660 D CA 1.117 55.255 54.000 0.230 0.000 0.834 660 D CB -0.171 40.880 40.800 0.418 0.000 0.955 660 D HN 0.555 nan 8.370 nan 0.000 0.465 661 K N -0.034 120.340 120.400 -0.043 0.000 2.057 661 K HA -0.036 4.321 4.320 0.061 0.000 0.206 661 K C 2.278 178.850 176.600 -0.047 0.000 1.050 661 K CA 0.578 56.825 56.287 -0.067 0.000 0.935 661 K CB -0.084 32.333 32.500 -0.139 0.000 0.715 661 K HN 0.159 nan 8.250 nan 0.000 0.439 662 L N 1.192 122.358 121.223 -0.095 0.000 2.093 662 L HA -0.142 4.235 4.340 0.061 0.000 0.208 662 L C 2.557 179.560 176.870 0.222 0.000 1.085 662 L CA 1.098 55.922 54.840 -0.027 0.000 0.755 662 L CB -0.368 41.568 42.059 -0.206 0.000 0.904 662 L HN 0.130 nan 8.230 nan 0.000 0.435 663 K N 0.683 121.296 120.400 0.355 0.000 2.020 663 K HA -0.255 4.102 4.320 0.061 0.000 0.212 663 K C 1.976 178.657 176.600 0.134 0.000 1.050 663 K CA 1.910 58.366 56.287 0.282 0.000 0.929 663 K CB -0.066 32.591 32.500 0.261 0.000 0.714 663 K HN 0.307 nan 8.250 nan 0.000 0.443 664 E N 0.186 120.446 120.200 0.100 0.000 2.209 664 E HA -0.191 4.195 4.350 0.061 0.000 0.196 664 E C 1.684 178.319 176.600 0.059 0.000 0.993 664 E CA 0.993 57.431 56.400 0.064 0.000 0.819 664 E CB -0.036 29.692 29.700 0.047 0.000 0.745 664 E HN 0.361 nan 8.360 nan 0.000 0.477 665 L N -0.517 120.743 121.223 0.062 0.000 2.591 665 L HA 0.119 4.495 4.340 0.061 0.000 0.228 665 L C 1.307 178.240 176.870 0.105 0.000 1.133 665 L CA 0.291 55.176 54.840 0.076 0.000 0.880 665 L CB 0.117 42.195 42.059 0.031 0.000 1.033 665 L HN 0.271 nan 8.230 nan 0.000 0.450 666 G N -0.007 108.846 108.800 0.088 0.000 2.143 666 G HA2 -0.248 3.749 3.960 0.061 0.000 0.249 666 G HA3 -0.248 3.749 3.960 0.061 0.000 0.249 666 G C 0.258 175.202 174.900 0.074 0.000 0.981 666 G CA 0.088 45.232 45.100 0.074 0.000 0.665 666 G HN 0.112 nan 8.290 nan 0.000 0.528 667 V N 0.963 120.941 119.914 0.107 0.000 2.775 667 V HA 0.421 4.577 4.120 0.061 0.000 0.299 667 V C 0.519 176.630 176.094 0.029 0.000 1.062 667 V CA -0.260 62.111 62.300 0.119 0.000 1.063 667 V CB 1.579 33.485 31.823 0.139 0.000 0.994 667 V HN 0.179 nan 8.190 nan 0.000 0.483 668 K N 5.096 125.484 120.400 -0.020 0.000 2.263 668 K HA 0.528 4.885 4.320 0.061 0.000 0.272 668 K C -0.798 175.731 176.600 -0.118 0.000 1.033 668 K CA -0.057 56.124 56.287 -0.176 0.000 0.884 668 K CB 1.017 33.459 32.500 -0.098 0.000 1.107 668 K HN 0.556 nan 8.250 nan 0.000 0.460 669 F N -0.513 119.396 119.950 -0.069 0.000 2.626 669 F HA 0.581 5.145 4.527 0.061 0.000 0.311 669 F C -0.458 175.271 175.800 -0.118 0.000 1.088 669 F CA -1.413 56.527 58.000 -0.100 0.000 0.949 669 F CB 1.303 40.230 39.000 -0.121 0.000 1.322 669 F HN 0.150 nan 8.300 nan 0.000 0.461 670 K N 1.657 122.119 120.400 0.104 0.000 2.164 670 K HA 0.757 5.114 4.320 0.061 0.000 0.258 670 K C -1.831 174.759 176.600 -0.016 0.000 0.951 670 K CA -0.763 55.518 56.287 -0.010 0.000 0.844 670 K CB 1.944 34.387 32.500 -0.096 0.000 1.099 670 K HN 0.712 nan 8.250 nan 0.000 0.435 671 V N 4.445 124.294 119.914 -0.110 0.000 2.398 671 V HA 0.350 4.507 4.120 0.061 0.000 0.286 671 V C -0.529 175.284 176.094 -0.469 0.000 1.026 671 V CA -0.827 61.300 62.300 -0.289 0.000 0.868 671 V CB 1.570 33.227 31.823 -0.278 0.000 0.982 671 V HN 0.547 nan 8.190 nan 0.000 0.443 672 V N 4.404 123.951 119.914 -0.612 0.000 2.628 672 V HA 0.508 4.665 4.120 0.061 0.000 0.306 672 V C -0.332 175.175 176.094 -0.978 0.000 1.045 672 V CA -0.724 61.131 62.300 -0.742 0.000 0.905 672 V CB 2.211 33.617 31.823 -0.696 0.000 0.997 672 V HN 0.951 nan 8.190 nan 0.000 0.436 673 N N 2.282 120.338 118.700 -1.073 0.000 2.321 673 N HA 0.630 5.406 4.740 0.061 0.000 0.299 673 N C -1.369 173.920 175.510 -0.369 0.000 1.048 673 N CA -0.355 52.157 53.050 -0.897 0.000 0.836 673 N CB 2.037 39.787 38.487 -1.227 0.000 1.269 673 N HN 0.361 nan 8.380 nan 0.000 0.486 674 V N 2.844 122.642 119.914 -0.194 0.000 2.334 674 V HA 0.567 4.723 4.120 0.061 0.000 0.281 674 V C 0.708 176.929 176.094 0.212 0.000 1.016 674 V CA -0.449 61.899 62.300 0.081 0.000 0.832 674 V CB 0.760 32.722 31.823 0.231 0.000 0.999 674 V HN 0.931 nan 8.190 nan 0.000 0.439 675 A N 3.234 126.213 122.820 0.265 0.000 2.115 675 A HA 0.195 4.551 4.320 0.061 0.000 0.211 675 A C 0.795 178.622 177.584 0.405 0.000 1.169 675 A CA 0.461 52.714 52.037 0.359 0.000 0.787 675 A CB 0.115 19.298 19.000 0.305 0.000 0.858 675 A HN 0.699 nan 8.150 nan 0.000 0.474 676 D N -0.162 120.436 120.400 0.329 0.000 2.462 676 D HA 0.302 4.979 4.640 0.061 0.000 0.245 676 D C 0.693 177.108 176.300 0.192 0.000 1.122 676 D CA -0.584 53.540 54.000 0.206 0.000 0.864 676 D CB 1.156 42.083 40.800 0.211 0.000 1.098 676 D HN -0.038 nan 8.370 nan 0.000 0.541 677 L N 4.484 125.816 121.223 0.182 0.000 2.043 677 L HA -0.113 4.264 4.340 0.061 0.000 0.212 677 L C 1.678 178.629 176.870 0.136 0.000 1.075 677 L CA 1.840 56.838 54.840 0.263 0.000 0.752 677 L CB -0.338 41.908 42.059 0.312 0.000 0.891 677 L HN 0.611 nan 8.230 nan 0.000 0.432 678 L N -0.695 120.552 121.223 0.040 0.000 2.551 678 L HA -0.050 4.327 4.340 0.061 0.000 0.228 678 L C 2.446 179.361 176.870 0.074 0.000 1.153 678 L CA 0.772 55.629 54.840 0.028 0.000 0.851 678 L CB -0.877 41.173 42.059 -0.015 0.000 0.959 678 L HN 0.449 nan 8.230 nan 0.000 0.451 679 S N 0.298 116.071 115.700 0.121 0.000 2.440 679 S HA -0.127 4.380 4.470 0.061 0.000 0.238 679 S C 1.726 176.460 174.600 0.223 0.000 1.010 679 S CA 0.872 59.172 58.200 0.166 0.000 0.972 679 S CB -0.398 62.919 63.200 0.196 0.000 0.774 679 S HN 0.518 nan 8.310 nan 0.000 0.501 680 L N 0.459 121.810 121.223 0.213 0.000 2.509 680 L HA 0.211 4.588 4.340 0.061 0.000 0.222 680 L C 1.573 178.477 176.870 0.055 0.000 1.123 680 L CA 0.040 55.024 54.840 0.239 0.000 0.856 680 L CB -0.479 41.685 42.059 0.175 0.000 0.985 680 L HN 0.443 nan 8.230 nan 0.000 0.456 681 Q N 1.131 120.943 119.800 0.021 0.000 2.432 681 Q HA -0.008 4.368 4.340 0.061 0.000 0.264 681 Q C 0.474 176.421 176.000 -0.087 0.000 1.035 681 Q CA -0.006 55.769 55.803 -0.046 0.000 0.908 681 Q CB 0.903 29.620 28.738 -0.035 0.000 1.280 681 Q HN 0.124 nan 8.270 nan 0.000 0.455 682 S N 2.120 117.744 115.700 -0.126 0.000 2.626 682 S HA -0.036 4.470 4.470 0.061 0.000 0.303 682 S C 0.957 175.499 174.600 -0.096 0.000 1.256 682 S CA 0.346 58.443 58.200 -0.172 0.000 1.069 682 S CB 0.375 63.493 63.200 -0.137 0.000 0.807 682 S HN 0.707 nan 8.310 nan 0.000 0.500 683 A N 5.277 128.035 122.820 -0.104 0.000 2.070 683 A HA -0.054 4.302 4.320 0.061 0.000 0.220 683 A C 2.102 179.671 177.584 -0.025 0.000 1.159 683 A CA 1.549 53.562 52.037 -0.040 0.000 0.656 683 A CB -0.353 18.629 19.000 -0.030 0.000 0.800 683 A HN 0.912 nan 8.150 nan 0.000 0.453 684 K N -0.372 120.002 120.400 -0.043 0.000 2.148 684 K HA -0.083 4.274 4.320 0.061 0.000 0.204 684 K C 1.852 178.460 176.600 0.012 0.000 1.050 684 K CA 1.492 57.771 56.287 -0.014 0.000 0.942 684 K CB -0.033 32.456 32.500 -0.018 0.000 0.724 684 K HN 0.635 nan 8.250 nan 0.000 0.446 685 E N -0.168 120.039 120.200 0.013 0.000 2.140 685 E HA -0.035 4.351 4.350 0.061 0.000 0.191 685 E C 0.140 176.757 176.600 0.028 0.000 0.973 685 E CA 0.337 56.757 56.400 0.032 0.000 0.829 685 E CB 0.253 29.965 29.700 0.021 0.000 0.781 685 E HN 0.053 nan 8.360 nan 0.000 0.466 686 N N 1.230 119.951 118.700 0.034 0.000 2.531 686 N HA -0.014 4.762 4.740 0.061 0.000 0.268 686 N C -0.688 174.887 175.510 0.108 0.000 1.023 686 N CA -0.222 52.881 53.050 0.089 0.000 0.896 686 N CB 1.252 39.783 38.487 0.073 0.000 1.233 686 N HN -0.083 nan 8.380 nan 0.000 0.512 687 D N 2.005 122.495 120.400 0.150 0.000 2.378 687 D HA -0.080 4.596 4.640 0.061 0.000 0.227 687 D C 0.256 176.604 176.300 0.080 0.000 1.012 687 D CA 0.978 55.043 54.000 0.109 0.000 0.905 687 D CB 0.201 41.065 40.800 0.106 0.000 0.895 687 D HN 0.651 nan 8.370 nan 0.000 0.532 688 E N -0.291 119.948 120.200 0.066 0.000 2.476 688 E HA 0.305 4.692 4.350 0.061 0.000 0.199 688 E C 0.683 177.304 176.600 0.034 0.000 1.021 688 E CA -0.146 56.245 56.400 -0.015 0.000 0.907 688 E CB 0.621 30.219 29.700 -0.170 0.000 0.974 688 E HN 0.318 nan 8.360 nan 0.000 0.489 689 A N 1.186 124.043 122.820 0.061 0.000 2.386 689 A HA 0.211 4.567 4.320 0.061 0.000 0.246 689 A C 0.205 177.850 177.584 0.102 0.000 1.089 689 A CA -0.365 51.722 52.037 0.083 0.000 0.790 689 A CB 0.148 19.187 19.000 0.066 0.000 1.042 689 A HN 0.188 nan 8.150 nan 0.000 0.497 690 L N 1.253 122.570 121.223 0.158 0.000 2.525 690 L HA 0.103 4.479 4.340 0.061 0.000 0.278 690 L C 1.458 178.419 176.870 0.152 0.000 1.218 690 L CA 0.013 54.965 54.840 0.187 0.000 0.878 690 L CB -0.130 42.117 42.059 0.314 0.000 1.127 690 L HN 0.950 nan 8.230 nan 0.000 0.492 691 T N -1.804 112.822 114.554 0.120 0.000 2.802 691 T HA 0.009 4.395 4.350 0.061 0.000 0.305 691 T C 0.856 175.627 174.700 0.119 0.000 1.053 691 T CA -0.765 61.386 62.100 0.086 0.000 1.058 691 T CB 0.742 69.653 68.868 0.071 0.000 0.988 691 T HN 0.537 nan 8.240 nan 0.000 0.539 692 D N 0.454 120.890 120.400 0.061 0.000 2.190 692 D HA -0.107 4.569 4.640 0.061 0.000 0.200 692 D C 1.937 178.334 176.300 0.162 0.000 0.992 692 D CA 1.388 55.434 54.000 0.077 0.000 0.854 692 D CB -0.118 40.678 40.800 -0.006 0.000 0.936 692 D HN 0.776 nan 8.370 nan 0.000 0.462 693 E N 0.391 120.661 120.200 0.117 0.000 2.072 693 E HA -0.151 4.235 4.350 0.061 0.000 0.191 693 E C 2.003 178.684 176.600 0.136 0.000 0.985 693 E CA 0.743 57.210 56.400 0.112 0.000 0.801 693 E CB 0.040 29.785 29.700 0.074 0.000 0.750 693 E HN 0.356 nan 8.360 nan 0.000 0.452 694 E N -0.034 120.252 120.200 0.144 0.000 2.072 694 E HA -0.166 4.220 4.350 0.061 0.000 0.191 694 E C 1.742 178.444 176.600 0.170 0.000 0.985 694 E CA 0.663 57.140 56.400 0.127 0.000 0.801 694 E CB -0.111 29.661 29.700 0.120 0.000 0.750 694 E HN 0.171 nan 8.360 nan 0.000 0.452 695 F N 1.180 121.208 119.950 0.130 0.000 2.069 695 F HA -0.258 4.305 4.527 0.060 0.000 0.298 695 F C 2.198 178.165 175.800 0.278 0.000 1.113 695 F CA 1.673 59.823 58.000 0.250 0.000 1.214 695 F CB -0.204 38.920 39.000 0.206 0.000 0.978 695 F HN -0.010 nan 8.300 nan 0.000 0.474 696 A N -0.656 122.433 122.820 0.449 0.000 1.969 696 A HA -0.230 4.127 4.320 0.061 0.000 0.218 696 A C 1.796 179.472 177.584 0.153 0.000 1.169 696 A CA 1.956 54.185 52.037 0.319 0.000 0.635 696 A CB -1.115 18.026 19.000 0.235 0.000 0.810 696 A HN 0.539 nan 8.150 nan 0.000 0.445 697 D N -0.420 120.039 120.400 0.098 0.000 2.178 697 D HA -0.079 4.597 4.640 0.061 0.000 0.202 697 D C 1.655 177.910 176.300 -0.075 0.000 0.974 697 D CA 1.170 55.182 54.000 0.020 0.000 0.841 697 D CB -0.150 40.661 40.800 0.019 0.000 0.953 697 D HN 0.487 nan 8.370 nan 0.000 0.478 698 I N -0.932 119.538 120.570 -0.167 0.000 2.277 698 I HA -0.126 4.081 4.170 0.061 0.000 0.243 698 I C 1.064 176.848 176.117 -0.555 0.000 1.094 698 I CA 0.645 61.679 61.300 -0.444 0.000 1.393 698 I CB -0.041 37.541 38.000 -0.696 0.000 1.078 698 I HN -0.019 nan 8.210 nan 0.000 0.417 699 F N 0.892 120.726 119.950 -0.193 0.000 2.727 699 F HA 0.138 4.701 4.527 0.060 0.000 0.302 699 F C 1.052 176.815 175.800 -0.062 0.000 1.097 699 F CA 0.230 58.128 58.000 -0.170 0.000 1.330 699 F CB -0.581 38.317 39.000 -0.170 0.000 1.084 699 F HN 0.100 nan 8.300 nan 0.000 0.578 700 T N -2.262 112.343 114.554 0.084 0.000 0.541 700 T HA -0.233 4.154 4.350 0.061 0.000 0.774 700 T C 0.683 175.474 174.700 0.151 0.000 0.992 700 T CA -0.185 61.965 62.100 0.083 0.000 4.077 700 T CB -0.779 68.112 68.868 0.038 0.000 2.303 700 T HN 0.405 nan 8.240 nan 0.000 0.398 701 A N 1.748 124.635 122.820 0.112 0.000 2.123 701 A HA 0.317 4.673 4.320 0.061 0.000 0.214 701 A C 1.605 179.251 177.584 0.103 0.000 1.152 701 A CA 1.493 53.604 52.037 0.122 0.000 0.728 701 A CB -0.310 18.740 19.000 0.084 0.000 0.814 701 A HN 1.376 nan 8.150 nan 0.000 0.464 702 D N -2.506 117.942 120.400 0.080 0.000 2.475 702 D HA 0.074 4.750 4.640 0.061 0.000 0.306 702 D C -0.097 176.229 176.300 0.043 0.000 1.304 702 D CA -0.155 53.879 54.000 0.056 0.000 0.862 702 D CB -0.230 40.592 40.800 0.037 0.000 1.306 702 D HN -0.002 nan 8.370 nan 0.000 0.494 703 K N 1.277 121.701 120.400 0.040 0.000 2.090 703 K HA 0.496 4.852 4.320 0.061 0.000 0.249 703 K C -2.628 173.972 176.600 -0.001 0.000 0.995 703 K CA -1.975 54.321 56.287 0.015 0.000 0.914 703 K CB 0.465 32.966 32.500 0.001 0.000 1.057 703 K HN -0.033 nan 8.250 nan 0.000 0.462 704 P HA 0.071 nan 4.420 nan 0.000 0.271 704 P C -0.738 176.500 177.300 -0.104 0.000 1.216 704 P CA -0.212 62.866 63.100 -0.037 0.000 0.771 704 P CB 0.483 32.170 31.700 -0.022 0.000 0.864 705 V N 5.044 124.847 119.914 -0.184 0.000 2.326 705 V HA 0.203 4.360 4.120 0.061 0.000 0.281 705 V C -0.067 175.883 176.094 -0.239 0.000 1.015 705 V CA -0.658 61.426 62.300 -0.359 0.000 0.823 705 V CB 1.226 32.457 31.823 -0.987 0.000 1.009 705 V HN 0.363 nan 8.190 nan 0.000 0.436 706 L N 6.091 127.212 121.223 -0.170 0.000 2.261 706 L HA 0.523 4.899 4.340 0.061 0.000 0.289 706 L C -0.865 175.964 176.870 -0.069 0.000 1.059 706 L CA 0.107 54.888 54.840 -0.098 0.000 0.816 706 L CB 0.390 42.352 42.059 -0.162 0.000 1.191 706 L HN 0.554 nan 8.230 nan 0.000 0.431 707 F N 5.152 125.045 119.950 -0.095 0.000 2.403 707 F HA 0.680 5.243 4.527 0.060 0.000 0.355 707 F C 0.211 176.015 175.800 0.007 0.000 1.119 707 F CA -0.833 57.136 58.000 -0.052 0.000 1.007 707 F CB 1.100 40.119 39.000 0.031 0.000 1.194 707 F HN 0.639 nan 8.300 nan 0.000 0.443 708 A N 6.234 129.088 122.820 0.056 0.000 2.310 708 A HA 0.327 4.683 4.320 0.061 0.000 0.300 708 A C -1.774 175.927 177.584 0.196 0.000 1.269 708 A CA -0.247 51.825 52.037 0.059 0.000 0.909 708 A CB -0.129 18.755 19.000 -0.194 0.000 1.144 708 A HN 0.725 nan 8.150 nan 0.000 0.540 709 Y N 1.940 122.349 120.300 0.181 0.000 2.352 709 Y HA 0.373 4.959 4.550 0.060 0.000 0.339 709 Y C 1.175 177.136 175.900 0.101 0.000 0.992 709 Y CA -0.824 57.381 58.100 0.176 0.000 1.100 709 Y CB 1.074 39.665 38.460 0.219 0.000 1.192 709 Y HN 0.898 nan 8.280 nan 0.000 0.458 710 H N 1.922 120.651 119.070 -0.569 0.000 2.390 710 H HA -0.078 4.514 4.556 0.060 0.000 0.298 710 H C 0.908 176.124 175.328 -0.186 0.000 1.106 710 H CA 2.147 58.019 56.048 -0.294 0.000 1.297 710 H CB 0.420 29.938 29.762 -0.407 0.000 1.375 710 H HN 0.528 nan 8.280 nan 0.000 0.509 711 S N -2.176 113.035 115.700 -0.815 0.000 2.816 711 S HA 0.279 4.786 4.470 0.061 0.000 0.253 711 S C -1.050 173.468 174.600 -0.136 0.000 1.055 711 S CA -0.782 57.133 58.200 -0.474 0.000 1.032 711 S CB -0.059 63.058 63.200 -0.138 0.000 1.270 711 S HN 0.246 nan 8.310 nan 0.000 0.587 712 Y N 1.523 122.019 120.300 0.327 0.000 2.402 712 Y HA 0.394 4.979 4.550 0.059 0.000 0.333 712 Y C 1.418 177.612 175.900 0.491 0.000 1.076 712 Y CA 0.037 58.359 58.100 0.369 0.000 1.299 712 Y CB 0.643 39.264 38.460 0.270 0.000 1.197 712 Y HN 0.726 nan 8.280 nan 0.000 0.517 713 A N 2.673 125.789 122.820 0.493 0.000 1.986 713 A HA -0.286 4.071 4.320 0.061 0.000 0.220 713 A C 2.164 179.828 177.584 0.134 0.000 1.171 713 A CA 2.050 54.253 52.037 0.277 0.000 0.640 713 A CB -0.873 18.226 19.000 0.165 0.000 0.811 713 A HN 0.986 nan 8.150 nan 0.000 0.451 714 H N 0.348 119.495 119.070 0.129 0.000 2.390 714 H HA -0.171 4.421 4.556 0.060 0.000 0.298 714 H C 1.365 176.696 175.328 0.004 0.000 1.106 714 H CA 2.031 58.107 56.048 0.047 0.000 1.297 714 H CB -0.189 29.605 29.762 0.054 0.000 1.375 714 H HN 0.448 nan 8.280 nan 0.000 0.509 715 D N 0.160 120.671 120.400 0.185 0.000 2.103 715 D HA -0.141 4.535 4.640 0.061 0.000 0.190 715 D C 2.572 178.751 176.300 -0.202 0.000 0.997 715 D CA 1.456 55.499 54.000 0.073 0.000 0.833 715 D CB -0.459 40.470 40.800 0.214 0.000 0.961 715 D HN 0.246 nan 8.370 nan 0.000 0.447 716 V N 0.727 120.373 119.914 -0.446 0.000 2.307 716 V HA -0.195 3.961 4.120 0.061 0.000 0.245 716 V C 2.456 178.281 176.094 -0.448 0.000 1.045 716 V CA 1.536 63.475 62.300 -0.602 0.000 1.024 716 V CB -0.386 30.858 31.823 -0.965 0.000 0.651 716 V HN 0.110 nan 8.190 nan 0.000 0.449 717 R N 0.350 120.631 120.500 -0.365 0.000 2.091 717 R HA -0.134 4.243 4.340 0.061 0.000 0.238 717 R C 2.415 178.539 176.300 -0.294 0.000 1.136 717 R CA 1.617 57.534 56.100 -0.306 0.000 0.959 717 R CB -0.819 29.337 30.300 -0.240 0.000 0.856 717 R HN 0.589 nan 8.270 nan 0.000 0.437 718 G N 0.463 109.064 108.800 -0.332 0.000 2.421 718 G HA2 -0.162 3.834 3.960 0.061 0.000 0.217 718 G HA3 -0.162 3.834 3.960 0.061 0.000 0.217 718 G C 1.406 176.221 174.900 -0.141 0.000 1.143 718 G CA 0.120 45.054 45.100 -0.276 0.000 0.784 718 G HN 0.112 nan 8.290 nan 0.000 0.541 719 L N 0.677 121.801 121.223 -0.164 0.000 2.027 719 L HA 0.050 4.427 4.340 0.061 0.000 0.206 719 L C 2.549 179.323 176.870 -0.160 0.000 1.074 719 L CA 1.118 55.882 54.840 -0.127 0.000 0.745 719 L CB -0.190 41.769 42.059 -0.166 0.000 0.898 719 L HN 0.424 nan 8.230 nan 0.000 0.433 720 I N -3.247 117.142 120.570 -0.302 0.000 3.810 720 I HA -0.095 4.111 4.170 0.061 0.000 0.322 720 I C 2.123 177.893 176.117 -0.578 0.000 1.288 720 I CA -0.185 60.823 61.300 -0.487 0.000 1.143 720 I CB -0.607 37.011 38.000 -0.636 0.000 1.012 720 I HN 0.210 nan 8.210 nan 0.000 0.423 721 Y N 2.242 122.230 120.300 -0.520 0.000 2.298 721 Y HA -0.246 4.340 4.550 0.060 0.000 0.287 721 Y C 1.501 176.904 175.900 -0.828 0.000 1.164 721 Y CA 1.540 59.261 58.100 -0.631 0.000 1.229 721 Y CB -0.829 37.399 38.460 -0.386 0.000 0.977 721 Y HN 0.481 nan 8.280 nan 0.000 0.538 722 D N -0.977 118.513 120.400 -1.517 0.000 2.462 722 D HA 0.103 4.779 4.640 0.061 0.000 0.221 722 D C 0.011 175.907 176.300 -0.672 0.000 1.173 722 D CA -0.320 53.043 54.000 -1.061 0.000 0.831 722 D CB -0.123 40.059 40.800 -1.031 0.000 1.001 722 D HN 0.053 nan 8.370 nan 0.000 0.499 723 R N 1.515 121.599 120.500 -0.694 0.000 2.490 723 R HA 0.374 4.750 4.340 0.061 0.000 0.278 723 R C -2.396 173.781 176.300 -0.206 0.000 1.069 723 R CA -2.172 53.533 56.100 -0.659 0.000 1.080 723 R CB -0.151 29.379 30.300 -1.284 0.000 1.030 723 R HN 0.122 nan 8.270 nan 0.000 0.491 724 P HA -0.020 nan 4.420 nan 0.000 0.265 724 P C 0.100 177.516 177.300 0.195 0.000 1.193 724 P CA 0.183 63.325 63.100 0.071 0.000 0.765 724 P CB 0.353 32.131 31.700 0.131 0.000 0.823 725 N N 0.735 119.507 118.700 0.120 0.000 2.850 725 N HA -0.211 4.566 4.740 0.061 0.000 0.249 725 N C 1.116 176.742 175.510 0.193 0.000 1.060 725 N CA 1.329 54.476 53.050 0.162 0.000 0.825 725 N CB -1.919 36.754 38.487 0.309 0.000 1.132 725 N HN 0.726 nan 8.380 nan 0.000 0.564 726 H N -1.893 117.197 119.070 0.033 0.000 2.423 726 H HA 0.025 4.617 4.556 0.061 0.000 0.297 726 H C 0.747 176.088 175.328 0.021 0.000 1.075 726 H CA 1.240 57.190 56.048 -0.164 0.000 1.342 726 H CB -0.098 29.446 29.762 -0.364 0.000 1.395 726 H HN 0.209 nan 8.280 nan 0.000 0.530 727 D N 1.051 121.177 120.400 -0.457 0.000 2.309 727 D HA -0.091 4.585 4.640 0.061 0.000 0.212 727 D C 1.020 177.328 176.300 0.012 0.000 0.968 727 D CA 0.475 54.358 54.000 -0.195 0.000 0.882 727 D CB -0.168 40.477 40.800 -0.259 0.000 0.918 727 D HN 0.365 nan 8.370 nan 0.000 0.503 728 N N -0.417 118.348 118.700 0.107 0.000 2.270 728 N HA 0.032 4.808 4.740 0.061 0.000 0.198 728 N C -0.355 175.264 175.510 0.181 0.000 1.117 728 N CA -0.098 53.027 53.050 0.124 0.000 0.845 728 N CB 0.146 38.686 38.487 0.088 0.000 0.980 728 N HN 0.136 nan 8.380 nan 0.000 0.486 729 F N 1.012 120.964 119.950 0.004 0.000 2.438 729 F HA 0.182 4.745 4.527 0.061 0.000 0.356 729 F C 0.961 176.775 175.800 0.023 0.000 1.099 729 F CA -0.824 57.187 58.000 0.019 0.000 1.185 729 F CB 0.638 39.622 39.000 -0.028 0.000 1.115 729 F HN -0.156 nan 8.300 nan 0.000 0.526 730 N N 4.132 122.931 118.700 0.165 0.000 2.609 730 N HA 0.219 4.995 4.740 0.061 0.000 0.234 730 N C -1.387 174.265 175.510 0.237 0.000 1.001 730 N CA -0.257 52.890 53.050 0.162 0.000 0.926 730 N CB 0.832 39.400 38.487 0.135 0.000 1.130 730 N HN 0.243 nan 8.380 nan 0.000 0.510 731 V N 4.733 124.756 119.914 0.181 0.000 2.385 731 V HA 0.246 4.402 4.120 0.061 0.000 0.269 731 V C 0.357 176.539 176.094 0.147 0.000 1.043 731 V CA -0.566 61.843 62.300 0.182 0.000 0.906 731 V CB 0.323 32.153 31.823 0.011 0.000 0.995 731 V HN 0.565 nan 8.190 nan 0.000 0.467 732 H N 2.811 121.969 119.070 0.147 0.000 2.472 732 H HA 0.759 5.351 4.556 0.060 0.000 0.338 732 H C 0.323 175.771 175.328 0.200 0.000 1.133 732 H CA 0.145 56.269 56.048 0.126 0.000 1.216 732 H CB 2.493 32.289 29.762 0.057 0.000 1.497 732 H HN 0.843 nan 8.280 nan 0.000 0.500 733 G N 0.938 109.910 108.800 0.287 0.000 2.634 733 G HA2 0.103 4.099 3.960 0.061 0.000 0.309 733 G HA3 0.103 4.099 3.960 0.061 0.000 0.309 733 G C -1.855 173.273 174.900 0.380 0.000 1.299 733 G CA -0.739 44.571 45.100 0.350 0.000 0.798 733 G HN 0.464 nan 8.290 nan 0.000 0.490 734 Y N 0.595 121.010 120.300 0.192 0.000 2.511 734 Y HA 0.415 5.002 4.550 0.062 0.000 0.332 734 Y C 0.995 176.904 175.900 0.014 0.000 1.177 734 Y CA 0.786 58.858 58.100 -0.047 0.000 1.422 734 Y CB 1.082 39.154 38.460 -0.647 0.000 1.271 734 Y HN 0.499 nan 8.280 nan 0.000 0.550 735 E N 3.269 123.053 120.200 -0.695 0.000 2.968 735 E HA 0.080 4.466 4.350 0.061 0.000 0.202 735 E C -0.690 175.624 176.600 -0.477 0.000 0.979 735 E CA 0.016 56.200 56.400 -0.360 0.000 1.192 735 E CB 0.248 29.846 29.700 -0.169 0.000 1.059 735 E HN 0.652 nan 8.360 nan 0.000 0.470 736 E N 1.262 120.903 120.200 -0.932 0.000 2.297 736 E HA -0.197 4.189 4.350 0.061 0.000 0.228 736 E C -0.690 175.909 176.600 -0.002 0.000 1.213 736 E CA 1.015 57.269 56.400 -0.243 0.000 0.712 736 E CB -0.959 28.797 29.700 0.093 0.000 1.202 736 E HN 0.376 nan 8.360 nan 0.000 0.376 737 E N -0.513 119.573 120.200 -0.190 0.000 2.293 737 E HA 0.784 5.171 4.350 0.061 0.000 0.270 737 E C 0.450 177.139 176.600 0.148 0.000 0.879 737 E CA -0.080 56.306 56.400 -0.023 0.000 0.756 737 E CB 2.251 31.887 29.700 -0.107 0.000 1.208 737 E HN 0.288 nan 8.360 nan 0.000 0.428 738 G N 0.438 109.259 108.800 0.034 0.000 2.353 738 G HA2 0.348 4.344 3.960 0.061 0.000 0.308 738 G HA3 0.348 4.344 3.960 0.061 0.000 0.308 738 G C -0.746 174.180 174.900 0.043 0.000 1.418 738 G CA 0.024 45.188 45.100 0.107 0.000 0.966 738 G HN 0.685 nan 8.290 nan 0.000 0.638 739 S N -1.892 113.848 115.700 0.066 0.000 3.497 739 S HA 0.786 5.293 4.470 0.061 0.000 0.319 739 S C -0.204 174.444 174.600 0.081 0.000 1.195 739 S CA 0.244 58.489 58.200 0.074 0.000 1.118 739 S CB 1.237 64.440 63.200 0.005 0.000 1.495 739 S HN 1.906 nan 8.310 nan 0.000 0.655 740 T N 1.033 115.626 114.554 0.065 0.000 2.739 740 T HA 0.612 4.998 4.350 0.061 0.000 0.298 740 T C -0.336 174.397 174.700 0.054 0.000 0.929 740 T CA 0.550 62.679 62.100 0.049 0.000 1.014 740 T CB -0.594 68.301 68.868 0.045 0.000 0.914 740 T HN 0.813 nan 8.240 nan 0.000 0.509 741 T N 2.492 117.080 114.554 0.057 0.000 2.630 741 T HA 0.584 4.970 4.350 0.061 0.000 0.300 741 T C -0.407 174.345 174.700 0.087 0.000 1.261 741 T CA -0.038 62.112 62.100 0.082 0.000 1.060 741 T CB 0.828 69.757 68.868 0.101 0.000 1.670 741 T HN 0.763 nan 8.240 nan 0.000 0.473 742 T N 0.690 115.314 114.554 0.117 0.000 2.899 742 T HA 0.499 4.886 4.350 0.061 0.000 0.284 742 T C -1.909 172.864 174.700 0.122 0.000 1.004 742 T CA -1.253 60.926 62.100 0.133 0.000 1.043 742 T CB 0.752 69.726 68.868 0.177 0.000 1.013 742 T HN 0.302 nan 8.240 nan 0.000 0.518 743 P HA -0.176 nan 4.420 nan 0.000 0.215 743 P C 1.234 178.595 177.300 0.102 0.000 1.163 743 P CA 1.317 64.538 63.100 0.201 0.000 0.894 743 P CB -0.245 31.644 31.700 0.315 0.000 0.791 744 Y N 0.696 120.840 120.300 -0.260 0.000 2.128 744 Y HA -0.272 4.314 4.550 0.061 0.000 0.284 744 Y C 2.186 177.982 175.900 -0.173 0.000 1.154 744 Y CA 2.038 59.762 58.100 -0.627 0.000 1.149 744 Y CB -0.912 36.900 38.460 -1.079 0.000 0.976 744 Y HN -0.106 nan 8.280 nan 0.000 0.505 745 D N -0.274 119.972 120.400 -0.257 0.000 2.149 745 D HA -0.208 4.468 4.640 0.061 0.000 0.198 745 D C 2.034 178.206 176.300 -0.212 0.000 0.990 745 D CA 1.558 55.382 54.000 -0.293 0.000 0.839 745 D CB -0.121 40.713 40.800 0.056 0.000 0.948 745 D HN 0.307 nan 8.370 nan 0.000 0.460 746 M N 0.154 119.736 119.600 -0.031 0.000 2.108 746 M HA -0.132 4.385 4.480 0.061 0.000 0.261 746 M C 2.402 178.829 176.300 0.211 0.000 1.066 746 M CA 1.074 56.449 55.300 0.125 0.000 1.107 746 M CB -1.028 31.715 32.600 0.237 0.000 1.356 746 M HN 0.160 nan 8.290 nan 0.000 0.406 747 V N -2.054 117.915 119.914 0.091 0.000 2.488 747 V HA -0.132 4.024 4.120 0.061 0.000 0.246 747 V C 2.427 178.466 176.094 -0.091 0.000 1.046 747 V CA 1.614 63.932 62.300 0.030 0.000 1.053 747 V CB -1.113 30.668 31.823 -0.071 0.000 0.679 747 V HN 0.396 nan 8.190 nan 0.000 0.458 748 R N 0.355 120.646 120.500 -0.348 0.000 2.083 748 R HA -0.119 4.257 4.340 0.061 0.000 0.237 748 R C 2.258 178.444 176.300 -0.190 0.000 1.137 748 R CA 2.041 57.925 56.100 -0.360 0.000 0.951 748 R CB -0.491 29.351 30.300 -0.763 0.000 0.851 748 R HN 0.431 nan 8.270 nan 0.000 0.434 749 V N 1.621 121.426 119.914 -0.182 0.000 3.141 749 V HA -0.064 4.092 4.120 0.061 0.000 0.265 749 V C 0.811 176.876 176.094 -0.048 0.000 1.126 749 V CA 1.351 63.565 62.300 -0.143 0.000 1.141 749 V CB -0.316 31.404 31.823 -0.171 0.000 0.743 749 V HN 0.406 nan 8.190 nan 0.000 0.492 750 N N 0.485 119.213 118.700 0.047 0.000 2.230 750 N HA 0.176 4.952 4.740 0.061 0.000 0.202 750 N C 0.252 175.837 175.510 0.124 0.000 1.119 750 N CA -0.087 53.031 53.050 0.113 0.000 0.851 750 N CB 0.311 39.008 38.487 0.351 0.000 0.990 750 N HN 0.407 nan 8.380 nan 0.000 0.497 751 R N 0.246 120.791 120.500 0.075 0.000 3.423 751 R HA -0.134 4.242 4.340 0.061 0.000 0.271 751 R C 0.249 176.646 176.300 0.162 0.000 1.093 751 R CA 0.369 56.542 56.100 0.121 0.000 0.730 751 R CB -1.938 28.463 30.300 0.168 0.000 1.190 751 R HN 0.295 nan 8.270 nan 0.000 0.437 752 I N 0.377 120.962 120.570 0.024 0.000 4.219 752 I HA 0.030 4.237 4.170 0.061 0.000 0.329 752 I C 0.416 176.432 176.117 -0.169 0.000 1.427 752 I CA -0.364 60.877 61.300 -0.099 0.000 1.151 752 I CB 0.248 38.162 38.000 -0.144 0.000 1.369 752 I HN 0.191 nan 8.210 nan 0.000 0.521 753 D N 1.544 121.893 120.400 -0.084 0.000 2.382 753 D HA -0.057 4.619 4.640 0.061 0.000 0.240 753 D C 1.298 177.523 176.300 -0.125 0.000 1.146 753 D CA -0.395 53.588 54.000 -0.028 0.000 0.897 753 D CB 0.676 41.564 40.800 0.147 0.000 1.197 753 D HN 0.339 nan 8.370 nan 0.000 0.432 754 R N 0.911 121.264 120.500 -0.246 0.000 2.153 754 R HA -0.281 4.095 4.340 0.061 0.000 0.252 754 R C 1.381 177.408 176.300 -0.455 0.000 1.158 754 R CA 1.637 57.449 56.100 -0.480 0.000 0.975 754 R CB -1.051 28.815 30.300 -0.723 0.000 0.871 754 R HN 0.543 nan 8.270 nan 0.000 0.450 755 Y N 0.965 121.269 120.300 0.007 0.000 2.243 755 Y HA -0.041 4.545 4.550 0.061 0.000 0.293 755 Y C 2.572 178.453 175.900 -0.031 0.000 1.124 755 Y CA 1.218 59.321 58.100 0.004 0.000 1.159 755 Y CB -0.524 38.011 38.460 0.126 0.000 1.008 755 Y HN 0.174 nan 8.280 nan 0.000 0.527 756 E N 0.790 121.057 120.200 0.112 0.000 2.153 756 E HA -0.129 4.258 4.350 0.061 0.000 0.194 756 E C 1.814 178.347 176.600 -0.113 0.000 0.988 756 E CA 1.103 57.513 56.400 0.016 0.000 0.811 756 E CB -0.457 29.254 29.700 0.017 0.000 0.746 756 E HN 0.478 nan 8.360 nan 0.000 0.466 757 L N -0.282 120.824 121.223 -0.194 0.000 2.072 757 L HA -0.111 4.265 4.340 0.061 0.000 0.205 757 L C 2.387 179.106 176.870 -0.252 0.000 1.079 757 L CA 1.543 56.208 54.840 -0.291 0.000 0.752 757 L CB -0.632 41.223 42.059 -0.339 0.000 0.906 757 L HN 0.180 nan 8.230 nan 0.000 0.436 758 T N 0.151 114.571 114.554 -0.223 0.000 2.684 758 T HA -0.221 4.165 4.350 0.061 0.000 0.267 758 T C 2.010 176.612 174.700 -0.163 0.000 1.036 758 T CA 1.481 63.456 62.100 -0.209 0.000 1.148 758 T CB -0.275 68.495 68.868 -0.164 0.000 0.863 758 T HN 0.448 nan 8.240 nan 0.000 0.436 759 A N 1.637 124.399 122.820 -0.097 0.000 1.902 759 A HA -0.134 4.222 4.320 0.061 0.000 0.217 759 A C 2.336 179.879 177.584 -0.069 0.000 1.181 759 A CA 1.321 53.322 52.037 -0.059 0.000 0.623 759 A CB -0.423 18.577 19.000 0.000 0.000 0.818 759 A HN 0.324 nan 8.150 nan 0.000 0.443 760 E N -0.090 120.054 120.200 -0.092 0.000 2.110 760 E HA -0.131 4.255 4.350 0.061 0.000 0.193 760 E C 2.353 178.896 176.600 -0.095 0.000 0.988 760 E CA 1.183 57.537 56.400 -0.076 0.000 0.804 760 E CB -0.525 29.095 29.700 -0.134 0.000 0.745 760 E HN 0.576 nan 8.360 nan 0.000 0.458 761 A N 1.210 123.938 122.820 -0.153 0.000 1.877 761 A HA -0.141 4.215 4.320 0.061 0.000 0.216 761 A C 2.403 179.896 177.584 -0.153 0.000 1.186 761 A CA 1.121 53.059 52.037 -0.165 0.000 0.620 761 A CB -0.753 18.109 19.000 -0.230 0.000 0.822 761 A HN 0.177 nan 8.150 nan 0.000 0.443 762 L N -1.086 120.014 121.223 -0.205 0.000 2.017 762 L HA -0.206 4.170 4.340 0.061 0.000 0.208 762 L C 2.807 179.667 176.870 -0.017 0.000 1.073 762 L CA 1.589 56.283 54.840 -0.242 0.000 0.745 762 L CB -0.563 41.302 42.059 -0.323 0.000 0.894 762 L HN 0.340 nan 8.230 nan 0.000 0.432 763 R N -0.424 120.075 120.500 -0.001 0.000 2.139 763 R HA -0.175 4.201 4.340 0.061 0.000 0.243 763 R C 2.195 178.519 176.300 0.040 0.000 1.145 763 R CA 1.513 57.637 56.100 0.040 0.000 0.976 763 R CB -0.271 30.047 30.300 0.029 0.000 0.866 763 R HN 0.401 nan 8.270 nan 0.000 0.449 764 M N -0.733 118.875 119.600 0.014 0.000 2.435 764 M HA 0.017 4.534 4.480 0.061 0.000 0.265 764 M C 1.846 178.165 176.300 0.032 0.000 1.104 764 M CA 0.985 56.294 55.300 0.016 0.000 1.140 764 M CB 0.301 32.895 32.600 -0.009 0.000 1.372 764 M HN 0.089 nan 8.290 nan 0.000 0.456 765 I N -0.849 119.750 120.570 0.048 0.000 2.270 765 I HA -0.061 4.146 4.170 0.061 0.000 0.239 765 I C 0.266 176.466 176.117 0.138 0.000 1.080 765 I CA 0.828 62.183 61.300 0.092 0.000 1.383 765 I CB 0.393 38.462 38.000 0.115 0.000 1.097 765 I HN 0.105 nan 8.210 nan 0.000 0.420 766 D N -0.437 120.090 120.400 0.211 0.000 2.362 766 D HA 0.258 4.935 4.640 0.061 0.000 0.228 766 D C 0.340 176.756 176.300 0.193 0.000 1.326 766 D CA 0.005 54.109 54.000 0.174 0.000 0.927 766 D CB 1.101 41.971 40.800 0.117 0.000 1.501 766 D HN 0.138 nan 8.370 nan 0.000 0.519 767 A N 2.630 125.520 122.820 0.117 0.000 1.902 767 A HA -0.154 4.202 4.320 0.061 0.000 0.217 767 A C 1.608 179.240 177.584 0.081 0.000 1.181 767 A CA 1.505 53.605 52.037 0.106 0.000 0.623 767 A CB -0.017 19.022 19.000 0.066 0.000 0.818 767 A HN 0.485 nan 8.150 nan 0.000 0.443 768 D N -0.478 119.944 120.400 0.037 0.000 2.097 768 D HA -0.138 4.538 4.640 0.061 0.000 0.197 768 D C 1.899 178.175 176.300 -0.039 0.000 0.984 768 D CA 1.632 55.634 54.000 0.003 0.000 0.826 768 D CB -0.329 40.467 40.800 -0.007 0.000 0.973 768 D HN 0.610 nan 8.370 nan 0.000 0.460 769 K N -0.098 120.238 120.400 -0.106 0.000 2.147 769 K HA -0.149 4.207 4.320 0.061 0.000 0.205 769 K C 1.254 177.664 176.600 -0.318 0.000 1.049 769 K CA 1.095 57.219 56.287 -0.272 0.000 0.936 769 K CB -0.104 32.131 32.500 -0.442 0.000 0.722 769 K HN 0.211 nan 8.250 nan 0.000 0.446 770 Y N -0.378 119.925 120.300 0.005 0.000 2.485 770 Y HA 0.287 4.874 4.550 0.061 0.000 0.260 770 Y C 1.787 177.691 175.900 0.006 0.000 1.173 770 Y CA -0.165 57.938 58.100 0.005 0.000 1.252 770 Y CB 0.360 38.822 38.460 0.004 0.000 1.123 770 Y HN 0.139 nan 8.280 nan 0.000 0.524 771 A N 0.548 123.431 122.820 0.105 0.000 1.915 771 A HA -0.296 4.060 4.320 0.061 0.000 0.220 771 A C 1.895 179.519 177.584 0.066 0.000 1.198 771 A CA 2.582 54.662 52.037 0.071 0.000 0.647 771 A CB -0.526 18.496 19.000 0.037 0.000 0.825 771 A HN 0.351 nan 8.150 nan 0.000 0.456 772 D N -0.566 119.870 120.400 0.060 0.000 2.097 772 D HA -0.092 4.585 4.640 0.061 0.000 0.197 772 D C 2.020 178.357 176.300 0.061 0.000 0.984 772 D CA 1.195 55.225 54.000 0.050 0.000 0.826 772 D CB -0.216 40.607 40.800 0.038 0.000 0.973 772 D HN 0.327 nan 8.370 nan 0.000 0.460 773 K N 0.753 121.207 120.400 0.091 0.000 2.026 773 K HA -0.058 4.298 4.320 0.061 0.000 0.208 773 K C 2.442 179.078 176.600 0.061 0.000 1.048 773 K CA 0.353 56.689 56.287 0.082 0.000 0.929 773 K CB -0.585 31.993 32.500 0.130 0.000 0.713 773 K HN 0.259 nan 8.250 nan 0.000 0.439 774 I N 1.488 122.102 120.570 0.074 0.000 2.151 774 I HA -0.334 3.873 4.170 0.061 0.000 0.243 774 I C 2.301 178.447 176.117 0.050 0.000 1.080 774 I CA 1.805 63.137 61.300 0.054 0.000 1.339 774 I CB -0.375 37.663 38.000 0.063 0.000 1.039 774 I HN 0.226 nan 8.210 nan 0.000 0.409 775 D N 0.474 120.904 120.400 0.050 0.000 2.144 775 D HA -0.228 4.448 4.640 0.061 0.000 0.199 775 D C 2.123 178.449 176.300 0.044 0.000 0.984 775 D CA 1.235 55.261 54.000 0.043 0.000 0.834 775 D CB 0.056 40.879 40.800 0.038 0.000 0.955 775 D HN 0.275 nan 8.370 nan 0.000 0.465 776 E N -0.884 119.341 120.200 0.042 0.000 2.106 776 E HA -0.128 4.258 4.350 0.061 0.000 0.192 776 E C 1.809 178.440 176.600 0.052 0.000 0.984 776 E CA 0.316 56.740 56.400 0.039 0.000 0.806 776 E CB 0.102 29.815 29.700 0.022 0.000 0.750 776 E HN 0.251 nan 8.360 nan 0.000 0.458 777 L N 1.319 122.573 121.223 0.051 0.000 2.093 777 L HA -0.155 4.221 4.340 0.061 0.000 0.208 777 L C 2.164 179.094 176.870 0.101 0.000 1.085 777 L CA 1.602 56.490 54.840 0.080 0.000 0.755 777 L CB -0.886 41.224 42.059 0.085 0.000 0.904 777 L HN 0.123 nan 8.230 nan 0.000 0.435 778 E N -0.171 120.073 120.200 0.075 0.000 2.106 778 E HA -0.167 4.220 4.350 0.061 0.000 0.192 778 E C 2.143 178.770 176.600 0.045 0.000 0.984 778 E CA 0.682 57.119 56.400 0.062 0.000 0.806 778 E CB 0.011 29.739 29.700 0.048 0.000 0.750 778 E HN 0.472 nan 8.360 nan 0.000 0.458 779 K N -0.042 120.386 120.400 0.048 0.000 2.057 779 K HA -0.111 4.245 4.320 0.061 0.000 0.207 779 K C 2.042 178.650 176.600 0.013 0.000 1.049 779 K CA 0.920 57.228 56.287 0.035 0.000 0.931 779 K CB -0.259 32.269 32.500 0.046 0.000 0.714 779 K HN 0.041 nan 8.250 nan 0.000 0.440 780 F N 2.134 122.001 119.950 -0.138 0.000 2.293 780 F HA -0.087 4.476 4.527 0.060 0.000 0.300 780 F C 2.032 177.651 175.800 -0.300 0.000 1.086 780 F CA 1.099 58.936 58.000 -0.272 0.000 1.375 780 F CB 0.108 38.857 39.000 -0.418 0.000 1.045 780 F HN -0.114 nan 8.300 nan 0.000 0.516 781 R N 0.114 120.529 120.500 -0.141 0.000 2.081 781 R HA -0.163 4.214 4.340 0.061 0.000 0.235 781 R C 1.757 178.042 176.300 -0.024 0.000 1.131 781 R CA 1.670 57.755 56.100 -0.025 0.000 0.960 781 R CB -0.589 29.792 30.300 0.136 0.000 0.856 781 R HN 0.245 nan 8.270 nan 0.000 0.436 782 D N 0.269 120.646 120.400 -0.039 0.000 2.117 782 D HA -0.175 4.502 4.640 0.061 0.000 0.197 782 D C 1.707 177.988 176.300 -0.031 0.000 0.987 782 D CA 1.092 55.106 54.000 0.024 0.000 0.829 782 D CB -0.120 40.695 40.800 0.025 0.000 0.961 782 D HN 0.335 nan 8.370 nan 0.000 0.460 783 E N 0.191 120.252 120.200 -0.232 0.000 2.107 783 E HA -0.081 4.306 4.350 0.061 0.000 0.191 783 E C 1.901 178.278 176.600 -0.371 0.000 0.982 783 E CA 0.769 56.997 56.400 -0.287 0.000 0.809 783 E CB 0.059 29.527 29.700 -0.387 0.000 0.756 783 E HN 0.159 nan 8.360 nan 0.000 0.459 784 A N 0.385 122.769 122.820 -0.727 0.000 2.015 784 A HA -0.121 4.236 4.320 0.061 0.000 0.219 784 A C 1.889 179.463 177.584 -0.016 0.000 1.163 784 A CA 0.798 52.452 52.037 -0.637 0.000 0.646 784 A CB -0.669 17.583 19.000 -1.247 0.000 0.806 784 A HN 0.522 nan 8.150 nan 0.000 0.448 785 F N -0.015 119.949 119.950 0.022 0.000 2.187 785 F HA -0.106 4.457 4.527 0.061 0.000 0.295 785 F C 2.392 178.222 175.800 0.049 0.000 1.091 785 F CA 1.755 59.833 58.000 0.129 0.000 1.308 785 F CB -0.063 38.995 39.000 0.096 0.000 1.030 785 F HN 0.258 nan 8.300 nan 0.000 0.487 786 Q N 0.582 120.309 119.800 -0.121 0.000 2.112 786 Q HA -0.290 4.086 4.340 0.061 0.000 0.206 786 Q C 2.009 177.903 176.000 -0.176 0.000 0.987 786 Q CA 2.382 58.048 55.803 -0.229 0.000 0.858 786 Q CB -1.019 27.664 28.738 -0.092 0.000 0.905 786 Q HN 0.611 nan 8.270 nan 0.000 0.420 787 F N -0.224 119.607 119.950 -0.199 0.000 2.171 787 F HA -0.170 4.394 4.527 0.060 0.000 0.300 787 F C 1.865 177.510 175.800 -0.258 0.000 1.090 787 F CA 1.421 59.300 58.000 -0.203 0.000 1.293 787 F CB -0.307 38.613 39.000 -0.133 0.000 1.013 787 F HN 0.160 nan 8.300 nan 0.000 0.486 788 A N -0.357 122.480 122.820 0.028 0.000 1.898 788 A HA -0.097 4.259 4.320 0.061 0.000 0.216 788 A C 2.249 179.704 177.584 -0.215 0.000 1.181 788 A CA 1.691 53.705 52.037 -0.037 0.000 0.620 788 A CB -1.292 17.773 19.000 0.108 0.000 0.819 788 A HN 0.243 nan 8.150 nan 0.000 0.442 789 V N 0.789 120.485 119.914 -0.363 0.000 2.332 789 V HA -0.251 3.906 4.120 0.061 0.000 0.248 789 V C 2.075 178.000 176.094 -0.282 0.000 1.055 789 V CA 2.396 64.478 62.300 -0.363 0.000 1.038 789 V CB -0.735 30.771 31.823 -0.529 0.000 0.651 789 V HN 0.508 nan 8.190 nan 0.000 0.450 790 D N -0.408 119.794 120.400 -0.330 0.000 2.194 790 D HA -0.061 4.615 4.640 0.061 0.000 0.204 790 D C 1.879 177.968 176.300 -0.351 0.000 0.964 790 D CA 0.964 54.775 54.000 -0.315 0.000 0.846 790 D CB -0.174 40.424 40.800 -0.337 0.000 0.962 790 D HN 0.432 nan 8.370 nan 0.000 0.490 791 N N -0.771 117.628 118.700 -0.502 0.000 2.273 791 N HA 0.072 4.848 4.740 0.061 0.000 0.192 791 N C 1.191 176.557 175.510 -0.241 0.000 1.132 791 N CA 0.782 53.515 53.050 -0.530 0.000 0.887 791 N CB 1.810 39.559 38.487 -1.230 0.000 1.048 791 N HN 0.166 nan 8.380 nan 0.000 0.490 792 G N 1.139 109.831 108.800 -0.180 0.000 2.143 792 G HA2 -0.272 3.724 3.960 0.061 0.000 0.249 792 G HA3 -0.272 3.724 3.960 0.061 0.000 0.249 792 G C -0.224 174.798 174.900 0.202 0.000 0.981 792 G CA 1.106 46.222 45.100 0.026 0.000 0.665 792 G HN 0.544 nan 8.290 nan 0.000 0.528 793 Y N -2.673 117.683 120.300 0.093 0.000 2.750 793 Y HA 0.712 5.298 4.550 0.060 0.000 0.335 793 Y C -0.809 175.281 175.900 0.317 0.000 1.252 793 Y CA -1.654 56.550 58.100 0.175 0.000 1.064 793 Y CB 0.328 38.882 38.460 0.156 0.000 1.321 793 Y HN -0.016 nan 8.280 nan 0.000 0.451 794 D N 0.588 121.245 120.400 0.429 0.000 2.283 794 D HA 0.091 4.767 4.640 0.061 0.000 0.248 794 D C -0.346 176.047 176.300 0.156 0.000 1.072 794 D CA -0.043 54.136 54.000 0.299 0.000 0.929 794 D CB 0.535 41.509 40.800 0.291 0.000 1.182 794 D HN 0.665 nan 8.370 nan 0.000 0.433 795 H N 2.944 121.817 119.070 -0.329 0.000 3.167 795 H HA -0.049 4.544 4.556 0.061 0.000 0.306 795 H C -1.420 173.749 175.328 -0.266 0.000 0.965 795 H CA -0.739 54.788 56.048 -0.868 0.000 1.408 795 H CB 1.060 30.399 29.762 -0.704 0.000 1.406 795 H HN 0.154 nan 8.280 nan 0.000 0.576 796 P HA -0.191 nan 4.420 nan 0.000 0.220 796 P C 1.060 178.517 177.300 0.262 0.000 1.144 796 P CA 1.579 64.725 63.100 0.077 0.000 0.800 796 P CB 0.314 32.004 31.700 -0.017 0.000 0.772 797 D N -1.555 119.151 120.400 0.511 0.000 2.178 797 D HA -0.212 4.464 4.640 0.061 0.000 0.201 797 D C 1.909 178.405 176.300 0.327 0.000 0.980 797 D CA 0.859 55.059 54.000 0.333 0.000 0.842 797 D CB -0.447 40.463 40.800 0.184 0.000 0.948 797 D HN 0.130 nan 8.370 nan 0.000 0.472 798 Y N -0.184 120.258 120.300 0.237 0.000 2.230 798 Y HA 0.040 4.626 4.550 0.060 0.000 0.294 798 Y C 2.373 178.409 175.900 0.226 0.000 1.120 798 Y CA 1.346 59.565 58.100 0.198 0.000 1.129 798 Y CB -0.461 38.083 38.460 0.140 0.000 1.040 798 Y HN -0.137 nan 8.280 nan 0.000 0.519 799 T N 0.215 114.986 114.554 0.361 0.000 2.833 799 T HA -0.140 4.247 4.350 0.061 0.000 0.269 799 T C 0.821 175.618 174.700 0.162 0.000 1.054 799 T CA 1.901 64.161 62.100 0.267 0.000 1.135 799 T CB -0.248 68.803 68.868 0.306 0.000 0.869 799 T HN 0.324 nan 8.240 nan 0.000 0.466 800 D N -0.962 119.542 120.400 0.174 0.000 2.369 800 D HA 0.119 4.795 4.640 0.061 0.000 0.211 800 D C 0.015 176.394 176.300 0.132 0.000 1.077 800 D CA -0.327 53.744 54.000 0.119 0.000 0.842 800 D CB -0.056 40.809 40.800 0.108 0.000 0.947 800 D HN 0.454 nan 8.370 nan 0.000 0.509 801 W N 2.081 123.371 121.300 -0.017 0.000 2.264 801 W HA 0.220 4.916 4.660 0.060 0.000 0.331 801 W C -0.682 175.835 176.519 -0.005 0.000 1.364 801 W CA 0.010 57.347 57.345 -0.013 0.000 1.253 801 W CB 0.473 29.910 29.460 -0.039 0.000 1.215 801 W HN -0.371 nan 8.180 nan 0.000 0.561 802 V N 9.047 128.520 119.914 -0.736 0.000 2.487 802 V HA 0.077 4.234 4.120 0.061 0.000 0.298 802 V C -0.434 175.014 176.094 -1.076 0.000 1.028 802 V CA -1.324 60.442 62.300 -0.890 0.000 0.860 802 V CB 0.780 32.352 31.823 -0.419 0.000 0.991 802 V HN 0.367 nan 8.190 nan 0.000 0.427 803 Y N 4.112 123.653 120.300 -1.265 0.000 2.969 803 Y HA -0.124 4.463 4.550 0.061 0.000 0.339 803 Y C 1.917 177.749 175.900 -0.113 0.000 1.272 803 Y CA 0.676 58.514 58.100 -0.436 0.000 1.577 803 Y CB 0.982 39.494 38.460 0.088 0.000 1.234 803 Y HN 0.883 nan 8.280 nan 0.000 0.590 804 S N 2.561 117.986 115.700 -0.460 0.000 2.465 804 S HA -0.151 4.355 4.470 0.061 0.000 0.241 804 S C 1.976 176.308 174.600 -0.445 0.000 1.000 804 S CA 0.884 58.862 58.200 -0.370 0.000 0.964 804 S CB -0.852 62.215 63.200 -0.222 0.000 0.763 804 S HN 0.927 nan 8.310 nan 0.000 0.512 805 G N 0.681 108.978 108.800 -0.838 0.000 2.598 805 G HA2 0.185 4.181 3.960 0.061 0.000 0.215 805 G HA3 0.185 4.181 3.960 0.061 0.000 0.215 805 G C 0.350 175.267 174.900 0.029 0.000 1.131 805 G CA 0.213 45.193 45.100 -0.201 0.000 0.785 805 G HN 0.473 nan 8.290 nan 0.000 0.539 806 V N 1.437 121.347 119.914 -0.008 0.000 2.498 806 V HA 0.151 4.308 4.120 0.061 0.000 0.279 806 V C 0.161 176.262 176.094 0.013 0.000 1.048 806 V CA -1.167 61.153 62.300 0.035 0.000 0.967 806 V CB 1.469 33.297 31.823 0.008 0.000 0.988 806 V HN 0.227 nan 8.190 nan 0.000 0.473 807 N N 3.491 122.224 118.700 0.054 0.000 2.406 807 N HA -0.026 4.750 4.740 0.061 0.000 0.269 807 N C 1.383 176.925 175.510 0.054 0.000 1.210 807 N CA 0.607 53.684 53.050 0.046 0.000 0.966 807 N CB 1.214 39.730 38.487 0.049 0.000 1.293 807 N HN 0.921 nan 8.380 nan 0.000 0.491 808 T N -0.242 114.316 114.554 0.008 0.000 3.023 808 T HA -0.047 4.339 4.350 0.061 0.000 0.266 808 T C 0.953 175.654 174.700 0.002 0.000 1.093 808 T CA 0.674 62.768 62.100 -0.009 0.000 1.129 808 T CB 0.122 68.966 68.868 -0.040 0.000 0.899 808 T HN 0.249 nan 8.240 nan 0.000 0.491 809 D N 1.293 121.699 120.400 0.010 0.000 2.123 809 D HA -0.012 4.665 4.640 0.061 0.000 0.196 809 D C 1.031 177.346 176.300 0.026 0.000 0.992 809 D CA 1.172 55.179 54.000 0.012 0.000 0.833 809 D CB -0.201 40.604 40.800 0.009 0.000 0.954 809 D HN 0.417 nan 8.370 nan 0.000 0.455 810 K N 1.201 121.635 120.400 0.056 0.000 2.326 810 K HA 0.026 4.383 4.320 0.061 0.000 0.275 810 K C 0.940 177.585 176.600 0.075 0.000 1.018 810 K CA -0.148 56.194 56.287 0.093 0.000 0.962 810 K CB 1.027 33.635 32.500 0.179 0.000 0.953 810 K HN -0.327 nan 8.250 nan 0.000 0.475 811 K N 1.878 122.318 120.400 0.068 0.000 2.020 811 K HA -0.088 4.269 4.320 0.061 0.000 0.212 811 K C 1.116 177.702 176.600 -0.023 0.000 1.050 811 K CA 2.157 58.458 56.287 0.024 0.000 0.929 811 K CB -0.374 32.142 32.500 0.027 0.000 0.714 811 K HN 0.786 nan 8.250 nan 0.000 0.443 812 G N -1.603 107.161 108.800 -0.059 0.000 3.448 812 G HA2 0.272 4.268 3.960 0.061 0.000 0.261 812 G HA3 0.272 4.268 3.960 0.061 0.000 0.261 812 G C 0.844 175.505 174.900 -0.398 0.000 1.173 812 G CA 0.351 45.340 45.100 -0.185 0.000 0.835 812 G HN 0.326 nan 8.290 nan 0.000 0.534 813 A N -0.367 122.253 122.820 -0.332 0.000 1.935 813 A HA 0.497 4.853 4.320 0.061 0.000 0.214 813 A C 1.165 178.676 177.584 -0.121 0.000 1.178 813 A CA 0.749 52.648 52.037 -0.230 0.000 0.640 813 A CB 0.179 19.162 19.000 -0.028 0.000 0.825 813 A HN 0.217 nan 8.150 nan 0.000 0.447 814 V N 0.000 119.833 119.914 -0.136 0.000 2.409 814 V HA 0.000 4.156 4.120 0.061 0.000 0.244 814 V CA 0.000 62.202 62.300 -0.163 0.000 1.235 814 V CB 0.000 31.754 31.823 -0.116 0.000 1.184 814 V HN 0.000 nan 8.190 nan 0.000 0.556