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 2znh_1_A DATA FIRST_RESID 1 DATA SEQUENCE HGSPVDIcTA KPRDIPMNPM cIYRSPXXXX XXXXXXXXXX XXXTNRRVWE DATA SEQUENCE LSKANSRFAT TFYQHLADSK NDNDNIFLSP LSISTAFAMT KLGAcNDTLQ DATA SEQUENCE QLMEVFKFDT ISEKTSDQIH FFFAKLNcRL YRXXXXXSKL VSANRLFGDK DATA SEQUENCE SLTFNETYQD ISELVYGAKL QPLDFKENAE QSRAAINKWV SNKTEGRITD DATA SEQUENCE VIPSEAINEL TVLVLVNTIY FKGLWKSKFS PENTRKELFY KADGEScSAS DATA SEQUENCE MMYQEGKFRY RRVAEGTQVL ELPFKGDDIT MVLILPKPEK SLAKVEKELT DATA SEQUENCE PEVLQEWLDE LEEMMLVVHM PRFRIEDGFS LKEQLQDMGL VDLFSPEKSK DATA SEQUENCE LPGIVAEGRD DLYVSDAFHK AFLEVNEEGS EAAASTAVVI AGRSLNPNRV DATA SEQUENCE TFKANRPFLV FIREVPLNTI IFMGRVANPc 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 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.327 175.328 -0.002 0.000 0.993 1 H CA 0.000 56.047 56.048 -0.002 0.000 1.023 1 H CB 0.000 29.761 29.762 -0.002 0.000 1.292 2 G N 1.598 110.463 108.800 0.109 0.000 2.730 2 G HA2 0.488 4.448 3.960 0.001 0.000 0.291 2 G HA3 0.488 4.448 3.960 0.001 0.000 0.291 2 G C -0.725 174.193 174.900 0.029 0.000 1.456 2 G CA -0.109 45.026 45.100 0.059 0.000 0.996 2 G HN 0.262 nan 8.290 nan 0.000 0.528 3 S N 2.949 118.663 115.700 0.023 0.000 2.596 3 S HA 0.663 5.133 4.470 0.001 0.000 0.318 3 S C -2.344 172.262 174.600 0.011 0.000 1.097 3 S CA -1.202 57.006 58.200 0.014 0.000 1.080 3 S CB 1.568 64.776 63.200 0.013 0.000 0.991 3 S HN 0.343 nan 8.310 nan 0.000 0.471 4 P HA 0.095 nan 4.420 nan 0.000 0.261 4 P C -0.746 176.556 177.300 0.004 0.000 1.173 4 P CA -0.358 62.744 63.100 0.003 0.000 0.760 4 P CB 0.316 32.017 31.700 0.001 0.000 0.783 5 V N 3.467 123.381 119.914 0.000 0.000 2.421 5 V HA 0.048 4.169 4.120 0.001 0.000 0.271 5 V C 0.437 176.533 176.094 0.003 0.000 1.031 5 V CA 0.323 62.625 62.300 0.003 0.000 1.032 5 V CB 0.235 32.056 31.823 -0.003 0.000 1.009 5 V HN 0.587 nan 8.190 nan 0.000 0.477 6 D N 3.832 124.239 120.400 0.012 0.000 2.440 6 D HA 0.302 4.943 4.640 0.001 0.000 0.239 6 D C 0.670 176.983 176.300 0.023 0.000 1.084 6 D CA -0.493 53.514 54.000 0.011 0.000 0.843 6 D CB 1.394 42.201 40.800 0.012 0.000 1.097 6 D HN 0.396 nan 8.370 nan 0.000 0.531 7 I N 2.833 123.409 120.570 0.011 0.000 2.394 7 I HA -0.219 3.952 4.170 0.001 0.000 0.251 7 I C 1.542 177.652 176.117 -0.011 0.000 1.136 7 I CA 0.746 62.058 61.300 0.021 0.000 1.425 7 I CB 0.208 38.193 38.000 -0.026 0.000 1.079 7 I HN 0.531 nan 8.210 nan 0.000 0.425 8 c N 0.356 118.944 118.600 -0.019 0.000 2.410 8 c HA -0.159 4.412 4.570 0.001 0.000 0.281 8 c C 2.660 176.757 174.090 0.011 0.000 1.318 8 c CA 1.588 57.907 56.329 -0.018 0.000 1.776 8 c CB -1.469 41.043 42.510 0.003 0.000 1.942 8 c HN 0.564 nan 8.230 nan 0.000 0.508 9 T N 0.592 115.164 114.554 0.031 0.000 2.866 9 T HA 0.211 4.562 4.350 0.001 0.000 0.250 9 T C 1.253 175.999 174.700 0.078 0.000 1.033 9 T CA 0.863 62.991 62.100 0.046 0.000 1.145 9 T CB -0.395 68.495 68.868 0.038 0.000 0.866 9 T HN 0.591 nan 8.240 nan 0.000 0.434 10 A N 1.739 124.618 122.820 0.099 0.000 2.567 10 A HA 0.489 4.809 4.320 0.001 0.000 0.236 10 A C 0.542 178.269 177.584 0.239 0.000 1.088 10 A CA 0.281 52.404 52.037 0.143 0.000 0.776 10 A CB -0.280 18.809 19.000 0.148 0.000 1.033 10 A HN 0.572 nan 8.150 nan 0.000 0.513 11 K N 0.705 121.213 120.400 0.179 0.000 2.185 11 K HA 0.646 4.967 4.320 0.001 0.000 0.240 11 K C -2.012 174.553 176.600 -0.058 0.000 0.983 11 K CA -1.206 55.179 56.287 0.164 0.000 0.873 11 K CB -0.288 32.253 32.500 0.069 0.000 1.118 11 K HN 0.462 nan 8.250 nan 0.000 0.441 12 P HA -0.307 nan 4.420 nan 0.000 0.218 12 P C 2.010 179.056 177.300 -0.423 0.000 1.154 12 P CA 2.728 65.322 63.100 -0.843 0.000 0.872 12 P CB 0.189 31.552 31.700 -0.561 0.000 0.790 13 R N -0.308 120.066 120.500 -0.210 0.000 2.070 13 R HA -0.156 4.184 4.340 0.001 0.000 0.233 13 R C 2.203 178.448 176.300 -0.092 0.000 1.137 13 R CA 2.729 58.753 56.100 -0.126 0.000 0.945 13 R CB -2.399 27.858 30.300 -0.071 0.000 0.845 13 R HN 0.379 nan 8.270 nan 0.000 0.430 14 D N 1.086 121.452 120.400 -0.055 0.000 2.133 14 D HA -0.020 4.621 4.640 0.001 0.000 0.192 14 D C 1.034 177.324 176.300 -0.018 0.000 1.001 14 D CA 1.334 55.323 54.000 -0.018 0.000 0.844 14 D CB -0.265 40.547 40.800 0.019 0.000 0.944 14 D HN 0.422 nan 8.370 nan 0.000 0.447 15 I N 1.874 122.430 120.570 -0.024 0.000 2.308 15 I HA 0.225 4.396 4.170 0.001 0.000 0.293 15 I C -2.162 173.923 176.117 -0.054 0.000 1.078 15 I CA -2.782 58.516 61.300 -0.005 0.000 1.292 15 I CB 0.632 38.688 38.000 0.094 0.000 1.423 15 I HN 0.135 nan 8.210 nan 0.000 0.493 16 P HA 0.190 nan 4.420 nan 0.000 0.273 16 P C -0.551 176.725 177.300 -0.040 0.000 1.319 16 P CA -0.301 62.772 63.100 -0.045 0.000 0.885 16 P CB 0.733 32.414 31.700 -0.031 0.000 1.015 17 M N 4.723 124.293 119.600 -0.049 0.000 2.044 17 M HA 0.291 4.771 4.480 0.001 0.000 0.333 17 M C -1.199 175.091 176.300 -0.018 0.000 1.004 17 M CA -0.316 54.965 55.300 -0.031 0.000 0.954 17 M CB 0.437 33.021 32.600 -0.026 0.000 1.468 17 M HN 0.075 nan 8.290 nan 0.000 0.414 18 N N 5.691 124.388 118.700 -0.006 0.000 2.617 18 N HA 0.506 5.246 4.740 0.001 0.000 0.263 18 N C -2.839 172.687 175.510 0.027 0.000 1.074 18 N CA -1.005 52.050 53.050 0.009 0.000 0.841 18 N CB 1.178 39.667 38.487 0.004 0.000 1.221 18 N HN 0.311 nan 8.380 nan 0.000 0.529 19 P HA 0.230 nan 4.420 nan 0.000 0.280 19 P C 0.905 178.242 177.300 0.062 0.000 1.272 19 P CA -0.797 62.342 63.100 0.065 0.000 0.819 19 P CB 0.829 32.589 31.700 0.099 0.000 1.122 20 M N 0.616 120.255 119.600 0.064 0.000 2.082 20 M HA -0.117 4.363 4.480 0.001 0.000 0.258 20 M C -0.102 176.228 176.300 0.051 0.000 1.069 20 M CA 2.056 57.385 55.300 0.048 0.000 1.102 20 M CB -0.506 32.116 32.600 0.035 0.000 1.336 20 M HN 0.328 nan 8.290 nan 0.000 0.404 21 c N -0.428 118.212 118.600 0.066 0.000 2.913 21 c HA 0.754 5.325 4.570 0.001 0.000 0.322 21 c C -0.268 173.881 174.090 0.099 0.000 1.292 21 c CA -1.445 54.929 56.329 0.075 0.000 1.649 21 c CB 1.688 44.243 42.510 0.075 0.000 2.139 21 c HN 0.384 nan 8.230 nan 0.000 0.475 22 I N 0.417 121.053 120.570 0.109 0.000 2.969 22 I HA 0.453 4.624 4.170 0.001 0.000 0.307 22 I C -1.301 174.932 176.117 0.193 0.000 1.149 22 I CA -0.513 60.864 61.300 0.128 0.000 1.008 22 I CB 1.698 39.745 38.000 0.078 0.000 1.232 22 I HN 0.795 nan 8.210 nan 0.000 0.435 23 Y N 2.785 123.118 120.300 0.055 0.000 2.386 23 Y HA 0.653 5.205 4.550 0.003 0.000 0.334 23 Y C -0.086 175.847 175.900 0.055 0.000 1.002 23 Y CA -0.836 57.299 58.100 0.058 0.000 1.068 23 Y CB 1.226 39.731 38.460 0.074 0.000 1.203 23 Y HN 0.702 nan 8.280 nan 0.000 0.443 24 R N 3.153 123.331 120.500 -0.537 0.000 2.205 24 R HA 0.605 4.946 4.340 0.001 0.000 0.342 24 R C -0.363 175.495 176.300 -0.737 0.000 1.058 24 R CA -0.087 55.742 56.100 -0.452 0.000 0.904 24 R CB -0.622 29.535 30.300 -0.238 0.000 1.089 24 R HN 0.820 nan 8.270 nan 0.000 0.471 25 S N 3.325 118.755 115.700 -0.449 0.000 2.499 25 S HA 0.574 5.044 4.470 0.001 0.000 0.279 25 S C -1.951 172.596 174.600 -0.087 0.000 1.219 25 S CA -1.190 56.864 58.200 -0.244 0.000 1.062 25 S CB 1.182 64.406 63.200 0.041 0.000 0.978 25 S HN 0.626 nan 8.310 nan 0.000 0.489 45 N N 0.220 118.917 118.700 -0.006 0.000 2.416 45 N HA 0.345 5.085 4.740 0.001 0.000 0.215 45 N C 1.812 177.322 175.510 0.000 0.000 1.208 45 N CA 0.590 53.639 53.050 -0.001 0.000 0.834 45 N CB -0.537 37.955 38.487 0.008 0.000 1.072 45 N HN 0.825 nan 8.380 nan 0.000 0.472 46 R N 0.296 120.786 120.500 -0.015 0.000 2.148 46 R HA 0.042 4.383 4.340 0.001 0.000 0.223 46 R C 2.170 178.517 176.300 0.080 0.000 1.088 46 R CA 0.956 57.090 56.100 0.056 0.000 0.985 46 R CB -0.602 29.710 30.300 0.020 0.000 0.880 46 R HN 0.471 nan 8.270 nan 0.000 0.451 47 R N 0.292 120.700 120.500 -0.154 0.000 2.075 47 R HA -0.030 4.311 4.340 0.001 0.000 0.230 47 R C 2.376 178.504 176.300 -0.286 0.000 1.140 47 R CA 1.482 57.297 56.100 -0.475 0.000 0.928 47 R CB -1.243 28.324 30.300 -1.221 0.000 0.834 47 R HN 0.314 nan 8.270 nan 0.000 0.429 48 V N 0.287 120.107 119.914 -0.156 0.000 2.370 48 V HA -0.275 3.845 4.120 0.001 0.000 0.252 48 V C 2.065 178.170 176.094 0.018 0.000 1.068 48 V CA 1.981 64.259 62.300 -0.036 0.000 1.061 48 V CB -0.556 31.276 31.823 0.015 0.000 0.656 48 V HN 0.429 nan 8.190 nan 0.000 0.455 49 W N 1.004 122.234 121.300 -0.117 0.000 2.378 49 W HA -0.151 4.508 4.660 -0.001 0.000 0.313 49 W C 2.484 178.953 176.519 -0.083 0.000 1.197 49 W CA 1.908 59.202 57.345 -0.086 0.000 1.304 49 W CB -0.317 29.098 29.460 -0.075 0.000 1.148 49 W HN 0.257 nan 8.180 nan 0.000 0.494 50 E N -0.141 120.021 120.200 -0.064 0.000 2.160 50 E HA -0.267 4.083 4.350 0.001 0.000 0.195 50 E C 2.009 178.480 176.600 -0.215 0.000 0.991 50 E CA 1.463 57.721 56.400 -0.236 0.000 0.810 50 E CB -0.546 29.110 29.700 -0.073 0.000 0.742 50 E HN 0.261 nan 8.360 nan 0.000 0.466 51 L N 0.814 121.947 121.223 -0.151 0.000 2.072 51 L HA -0.144 4.196 4.340 0.001 0.000 0.205 51 L C 2.350 179.129 176.870 -0.151 0.000 1.079 51 L CA 2.037 56.817 54.840 -0.101 0.000 0.752 51 L CB -0.555 41.441 42.059 -0.105 0.000 0.906 51 L HN 0.060 nan 8.230 nan 0.000 0.436 52 S N -1.154 114.427 115.700 -0.199 0.000 2.382 52 S HA -0.235 4.235 4.470 0.001 0.000 0.228 52 S C 2.061 176.530 174.600 -0.219 0.000 1.027 52 S CA 1.240 59.327 58.200 -0.188 0.000 0.991 52 S CB -0.553 62.549 63.200 -0.163 0.000 0.823 52 S HN 0.498 nan 8.310 nan 0.000 0.469 53 K N 1.617 121.801 120.400 -0.360 0.000 2.026 53 K HA 0.035 4.356 4.320 0.001 0.000 0.208 53 K C 2.604 179.093 176.600 -0.184 0.000 1.048 53 K CA 1.284 57.357 56.287 -0.357 0.000 0.929 53 K CB -0.665 31.497 32.500 -0.563 0.000 0.713 53 K HN 0.484 nan 8.250 nan 0.000 0.439 54 A N 2.063 124.806 122.820 -0.129 0.000 1.865 54 A HA -0.248 4.072 4.320 0.001 0.000 0.217 54 A C 1.829 179.416 177.584 0.004 0.000 1.191 54 A CA 1.957 53.975 52.037 -0.031 0.000 0.623 54 A CB -0.703 18.336 19.000 0.065 0.000 0.826 54 A HN 0.278 nan 8.150 nan 0.000 0.444 55 N N 0.359 119.065 118.700 0.011 0.000 2.069 55 N HA -0.123 4.617 4.740 0.001 0.000 0.191 55 N C 1.984 177.553 175.510 0.098 0.000 1.031 55 N CA 1.714 54.809 53.050 0.075 0.000 0.852 55 N CB -0.659 37.847 38.487 0.032 0.000 1.018 55 N HN 0.448 nan 8.380 nan 0.000 0.423 56 S N 0.698 116.403 115.700 0.009 0.000 2.383 56 S HA -0.153 4.317 4.470 0.001 0.000 0.229 56 S C 1.904 176.504 174.600 0.000 0.000 1.030 56 S CA 0.961 59.159 58.200 -0.003 0.000 1.002 56 S CB -0.076 63.081 63.200 -0.071 0.000 0.829 56 S HN 0.407 nan 8.310 nan 0.000 0.467 57 R N -0.012 120.481 120.500 -0.011 0.000 2.115 57 R HA -0.035 4.306 4.340 0.001 0.000 0.226 57 R C 2.018 178.327 176.300 0.014 0.000 1.100 57 R CA 1.063 57.153 56.100 -0.018 0.000 0.980 57 R CB -0.335 29.945 30.300 -0.034 0.000 0.875 57 R HN 0.435 nan 8.270 nan 0.000 0.445 58 F N 0.992 120.898 119.950 -0.072 0.000 2.163 58 F HA 0.085 4.612 4.527 0.000 0.000 0.297 58 F C 2.019 177.829 175.800 0.016 0.000 1.094 58 F CA 1.061 59.007 58.000 -0.090 0.000 1.290 58 F CB -0.630 38.273 39.000 -0.160 0.000 1.017 58 F HN 0.088 nan 8.300 nan 0.000 0.483 59 A N 0.537 123.347 122.820 -0.017 0.000 1.869 59 A HA -0.327 3.994 4.320 0.001 0.000 0.218 59 A C 2.337 179.913 177.584 -0.014 0.000 1.203 59 A CA 3.493 55.522 52.037 -0.013 0.000 0.638 59 A CB -1.789 17.275 19.000 0.107 0.000 0.831 59 A HN 0.572 nan 8.150 nan 0.000 0.450 60 T N -3.190 111.370 114.554 0.010 0.000 2.708 60 T HA -0.154 4.196 4.350 0.001 0.000 0.266 60 T C 1.836 176.539 174.700 0.005 0.000 1.037 60 T CA 2.193 64.320 62.100 0.045 0.000 1.146 60 T CB -1.288 67.585 68.868 0.009 0.000 0.865 60 T HN 0.378 nan 8.240 nan 0.000 0.435 61 T N 1.507 116.010 114.554 -0.086 0.000 2.607 61 T HA -0.061 4.289 4.350 0.001 0.000 0.267 61 T C 1.383 175.983 174.700 -0.167 0.000 1.049 61 T CA 1.632 63.660 62.100 -0.121 0.000 1.162 61 T CB -0.775 68.009 68.868 -0.140 0.000 0.863 61 T HN 0.384 nan 8.240 nan 0.000 0.424 62 F N 0.665 120.317 119.950 -0.496 0.000 2.095 62 F HA -0.139 4.388 4.527 0.000 0.000 0.298 62 F C 2.206 177.842 175.800 -0.274 0.000 1.104 62 F CA 1.108 58.793 58.000 -0.525 0.000 1.232 62 F CB -0.597 37.782 39.000 -1.036 0.000 0.987 62 F HN 0.201 nan 8.300 nan 0.000 0.475 63 Y N 1.217 121.392 120.300 -0.209 0.000 2.128 63 Y HA -0.312 4.238 4.550 0.001 0.000 0.284 63 Y C 2.511 178.271 175.900 -0.232 0.000 1.154 63 Y CA 2.351 60.335 58.100 -0.193 0.000 1.149 63 Y CB -0.794 37.622 38.460 -0.073 0.000 0.976 63 Y HN 0.212 nan 8.280 nan 0.000 0.505 64 Q N -1.222 118.529 119.800 -0.082 0.000 2.112 64 Q HA -0.306 4.035 4.340 0.001 0.000 0.206 64 Q C 2.196 178.058 176.000 -0.230 0.000 0.987 64 Q CA 1.982 57.712 55.803 -0.123 0.000 0.858 64 Q CB -0.535 28.184 28.738 -0.032 0.000 0.905 64 Q HN 0.738 nan 8.270 nan 0.000 0.420 65 H N -0.137 118.685 119.070 -0.412 0.000 2.389 65 H HA -0.109 4.447 4.556 0.001 0.000 0.299 65 H C 2.141 177.138 175.328 -0.553 0.000 1.081 65 H CA 0.683 56.466 56.048 -0.441 0.000 1.345 65 H CB 0.259 29.740 29.762 -0.469 0.000 1.393 65 H HN 0.163 nan 8.280 nan 0.000 0.520 66 L N 1.112 121.889 121.223 -0.742 0.000 2.005 66 L HA -0.058 4.283 4.340 0.001 0.000 0.207 66 L C 2.644 179.150 176.870 -0.607 0.000 1.072 66 L CA 1.959 56.297 54.840 -0.838 0.000 0.744 66 L CB -1.138 40.327 42.059 -0.992 0.000 0.895 66 L HN 0.327 nan 8.230 nan 0.000 0.433 67 A N -0.875 121.536 122.820 -0.682 0.000 1.948 67 A HA -0.320 4.001 4.320 0.001 0.000 0.220 67 A C 2.071 179.472 177.584 -0.305 0.000 1.177 67 A CA 2.060 53.780 52.037 -0.529 0.000 0.636 67 A CB -1.105 17.511 19.000 -0.641 0.000 0.815 67 A HN 0.615 nan 8.150 nan 0.000 0.449 68 D N 0.062 120.305 120.400 -0.262 0.000 2.123 68 D HA -0.133 4.508 4.640 0.001 0.000 0.196 68 D C 1.983 178.203 176.300 -0.134 0.000 0.992 68 D CA 1.811 55.718 54.000 -0.155 0.000 0.833 68 D CB -0.076 40.662 40.800 -0.103 0.000 0.954 68 D HN 0.493 nan 8.370 nan 0.000 0.455 69 S N -1.448 114.149 115.700 -0.172 0.000 2.710 69 S HA 0.178 4.649 4.470 0.001 0.000 0.224 69 S C 0.440 174.951 174.600 -0.150 0.000 0.948 69 S CA -0.451 57.660 58.200 -0.148 0.000 0.949 69 S CB 0.019 63.112 63.200 -0.179 0.000 0.778 69 S HN 0.061 nan 8.310 nan 0.000 0.498 70 K N 0.726 121.032 120.400 -0.155 0.000 2.346 70 K HA 0.397 4.718 4.320 0.001 0.000 0.238 70 K C -1.118 175.429 176.600 -0.087 0.000 1.039 70 K CA -0.995 55.218 56.287 -0.123 0.000 0.861 70 K CB 0.631 33.040 32.500 -0.151 0.000 1.278 70 K HN 0.101 nan 8.250 nan 0.000 0.460 71 N N 0.974 119.638 118.700 -0.060 0.000 2.472 71 N HA 0.031 4.771 4.740 0.001 0.000 0.277 71 N C -0.151 175.337 175.510 -0.036 0.000 1.081 71 N CA 0.008 53.035 53.050 -0.039 0.000 0.973 71 N CB 0.840 39.313 38.487 -0.022 0.000 1.105 71 N HN 0.404 nan 8.380 nan 0.000 0.470 72 D N 2.004 122.386 120.400 -0.030 0.000 2.389 72 D HA -0.139 4.501 4.640 0.001 0.000 0.221 72 D C 0.409 176.707 176.300 -0.003 0.000 0.974 72 D CA 1.036 55.024 54.000 -0.020 0.000 0.923 72 D CB -0.030 40.762 40.800 -0.013 0.000 0.892 72 D HN 0.593 nan 8.370 nan 0.000 0.518 73 N N 0.036 118.736 118.700 0.001 0.000 2.353 73 N HA -0.022 4.719 4.740 0.001 0.000 0.185 73 N C -0.527 174.986 175.510 0.005 0.000 1.098 73 N CA 0.137 53.196 53.050 0.016 0.000 0.872 73 N CB 0.639 39.139 38.487 0.022 0.000 0.970 73 N HN 0.027 nan 8.380 nan 0.000 0.467 74 D N 0.048 120.443 120.400 -0.009 0.000 2.175 74 D HA 0.151 4.791 4.640 0.001 0.000 0.248 74 D C -0.301 175.989 176.300 -0.016 0.000 1.047 74 D CA -0.290 53.704 54.000 -0.011 0.000 0.883 74 D CB 0.837 41.631 40.800 -0.009 0.000 1.180 74 D HN 0.069 nan 8.370 nan 0.000 0.438 75 N N 0.755 119.447 118.700 -0.013 0.000 2.399 75 N HA 0.366 5.106 4.740 0.001 0.000 0.250 75 N C -0.152 175.390 175.510 0.054 0.000 1.272 75 N CA 0.059 53.102 53.050 -0.010 0.000 0.928 75 N CB 1.207 39.682 38.487 -0.020 0.000 1.158 75 N HN 0.361 nan 8.380 nan 0.000 0.463 76 I N 0.767 121.402 120.570 0.108 0.000 2.656 76 I HA 0.389 4.559 4.170 0.001 0.000 0.292 76 I C -1.420 174.917 176.117 0.368 0.000 1.144 76 I CA -0.641 60.773 61.300 0.189 0.000 1.038 76 I CB 1.894 39.962 38.000 0.114 0.000 1.244 76 I HN 0.285 nan 8.210 nan 0.000 0.420 77 F N 7.690 127.767 119.950 0.212 0.000 2.623 77 F HA 0.693 5.220 4.527 0.001 0.000 0.323 77 F C -1.613 174.379 175.800 0.320 0.000 1.158 77 F CA -0.577 57.561 58.000 0.230 0.000 1.030 77 F CB 1.446 40.546 39.000 0.165 0.000 1.280 77 F HN 0.297 nan 8.300 nan 0.000 0.474 78 L N 1.872 122.920 121.223 -0.291 0.000 2.630 78 L HA 0.842 5.182 4.340 0.001 0.000 0.258 78 L C -1.389 175.363 176.870 -0.196 0.000 1.072 78 L CA -0.972 53.834 54.840 -0.057 0.000 0.885 78 L CB 1.946 44.198 42.059 0.321 0.000 1.502 78 L HN 0.424 nan 8.230 nan 0.000 0.406 79 S N 0.811 116.472 115.700 -0.065 0.000 2.532 79 S HA 0.511 4.981 4.470 0.001 0.000 0.256 79 S C -1.748 172.816 174.600 -0.061 0.000 1.298 79 S CA -1.347 56.718 58.200 -0.226 0.000 1.166 79 S CB 0.837 63.781 63.200 -0.427 0.000 1.022 79 S HN 0.651 nan 8.310 nan 0.000 0.480 80 P HA -0.141 nan 4.420 nan 0.000 0.216 80 P C 1.615 179.020 177.300 0.175 0.000 1.150 80 P CA 0.596 63.788 63.100 0.152 0.000 0.837 80 P CB 0.124 31.930 31.700 0.178 0.000 0.786 81 L N 0.394 121.665 121.223 0.080 0.000 2.042 81 L HA -0.123 4.217 4.340 0.001 0.000 0.210 81 L C 2.759 179.726 176.870 0.162 0.000 1.076 81 L CA 2.116 57.036 54.840 0.134 0.000 0.749 81 L CB -1.627 40.469 42.059 0.062 0.000 0.893 81 L HN -0.047 nan 8.230 nan 0.000 0.432 82 S N -0.771 114.962 115.700 0.055 0.000 2.368 82 S HA -0.170 4.300 4.470 0.001 0.000 0.225 82 S C 2.014 176.675 174.600 0.101 0.000 1.030 82 S CA 1.686 59.922 58.200 0.060 0.000 0.999 82 S CB -0.413 62.793 63.200 0.011 0.000 0.844 82 S HN 0.498 nan 8.310 nan 0.000 0.459 83 I N 0.845 121.498 120.570 0.138 0.000 2.202 83 I HA -0.121 4.050 4.170 0.001 0.000 0.242 83 I C 2.664 178.906 176.117 0.208 0.000 1.091 83 I CA 1.135 62.560 61.300 0.209 0.000 1.368 83 I CB -0.633 37.465 38.000 0.164 0.000 1.058 83 I HN 0.255 nan 8.210 nan 0.000 0.410 84 S N 0.373 116.179 115.700 0.177 0.000 2.374 84 S HA -0.205 4.265 4.470 0.001 0.000 0.227 84 S C 2.061 176.805 174.600 0.240 0.000 1.037 84 S CA 2.117 60.424 58.200 0.178 0.000 1.024 84 S CB -0.445 62.951 63.200 0.326 0.000 0.861 84 S HN 0.480 nan 8.310 nan 0.000 0.456 85 T N 2.346 117.024 114.554 0.206 0.000 2.643 85 T HA -0.082 4.269 4.350 0.001 0.000 0.264 85 T C 2.185 176.665 174.700 -0.366 0.000 1.045 85 T CA 1.362 63.344 62.100 -0.196 0.000 1.155 85 T CB -0.686 68.115 68.868 -0.111 0.000 0.863 85 T HN 0.474 nan 8.240 nan 0.000 0.420 86 A N 0.865 123.561 122.820 -0.207 0.000 1.917 86 A HA -0.080 4.240 4.320 0.001 0.000 0.219 86 A C 1.992 179.325 177.584 -0.419 0.000 1.182 86 A CA 1.639 53.499 52.037 -0.296 0.000 0.633 86 A CB -1.082 17.805 19.000 -0.189 0.000 0.819 86 A HN 0.491 nan 8.150 nan 0.000 0.448 87 F N -0.264 119.467 119.950 -0.366 0.000 2.407 87 F HA 0.085 4.612 4.527 0.000 0.000 0.299 87 F C 2.605 178.164 175.800 -0.402 0.000 1.097 87 F CA 0.633 58.348 58.000 -0.474 0.000 1.422 87 F CB -0.206 38.237 39.000 -0.927 0.000 1.067 87 F HN 0.263 nan 8.300 nan 0.000 0.539 88 A N -0.296 122.397 122.820 -0.211 0.000 1.929 88 A HA -0.134 4.187 4.320 0.001 0.000 0.216 88 A C 2.206 179.660 177.584 -0.218 0.000 1.176 88 A CA 1.189 53.178 52.037 -0.081 0.000 0.628 88 A CB -0.566 18.373 19.000 -0.101 0.000 0.816 88 A HN 0.304 nan 8.150 nan 0.000 0.444 89 M N -0.684 118.561 119.600 -0.591 0.000 2.175 89 M HA -0.102 4.378 4.480 0.001 0.000 0.264 89 M C 2.015 178.173 176.300 -0.237 0.000 1.063 89 M CA 1.808 56.743 55.300 -0.609 0.000 1.119 89 M CB -0.634 31.551 32.600 -0.693 0.000 1.377 89 M HN 0.384 nan 8.290 nan 0.000 0.415 90 T N 0.113 114.519 114.554 -0.246 0.000 2.915 90 T HA -0.112 4.239 4.350 0.001 0.000 0.269 90 T C 1.729 176.395 174.700 -0.056 0.000 1.071 90 T CA 0.954 62.951 62.100 -0.173 0.000 1.132 90 T CB -0.163 68.522 68.868 -0.306 0.000 0.878 90 T HN 0.353 nan 8.240 nan 0.000 0.479 91 K N 0.849 121.250 120.400 0.001 0.000 2.362 91 K HA 0.105 4.426 4.320 0.001 0.000 0.200 91 K C 1.981 178.666 176.600 0.141 0.000 1.046 91 K CA 0.449 56.801 56.287 0.110 0.000 0.952 91 K CB -0.234 32.388 32.500 0.203 0.000 0.753 91 K HN 0.333 nan 8.250 nan 0.000 0.466 92 L N -0.430 120.842 121.223 0.081 0.000 2.191 92 L HA -0.123 4.217 4.340 0.001 0.000 0.212 92 L C 1.863 178.802 176.870 0.114 0.000 1.103 92 L CA 1.341 56.217 54.840 0.060 0.000 0.769 92 L CB -0.109 41.985 42.059 0.060 0.000 0.908 92 L HN 0.312 nan 8.230 nan 0.000 0.438 93 G N -1.426 107.386 108.800 0.021 0.000 3.453 93 G HA2 0.423 4.384 3.960 0.001 0.000 0.263 93 G HA3 0.423 4.384 3.960 0.001 0.000 0.263 93 G C 0.410 175.282 174.900 -0.047 0.000 1.060 93 G CA 0.354 45.397 45.100 -0.095 0.000 0.793 93 G HN 0.286 nan 8.290 nan 0.000 0.532 94 A N -0.699 122.127 122.820 0.011 0.000 2.296 94 A HA 0.703 5.024 4.320 0.001 0.000 0.264 94 A C -0.296 177.312 177.584 0.039 0.000 1.097 94 A CA -0.293 51.759 52.037 0.025 0.000 0.811 94 A CB 0.884 19.915 19.000 0.052 0.000 1.072 94 A HN 0.603 nan 8.150 nan 0.000 0.495 95 c N -0.125 118.495 118.600 0.034 0.000 3.311 95 c HA 0.567 5.137 4.570 0.001 0.000 0.325 95 c C 0.505 174.617 174.090 0.035 0.000 1.352 95 c CA -0.051 56.302 56.329 0.041 0.000 1.308 95 c CB -0.023 42.505 42.510 0.031 0.000 1.619 95 c HN 1.278 nan 8.230 nan 0.000 0.469 96 N N 1.322 120.049 118.700 0.046 0.000 1.161 96 N HA -0.258 4.482 4.740 0.001 0.000 0.111 96 N C 0.132 175.651 175.510 0.015 0.000 0.779 96 N CA 1.737 54.812 53.050 0.041 0.000 0.845 96 N CB -0.615 37.892 38.487 0.034 0.000 1.034 96 N HN 0.861 nan 8.380 nan 0.000 0.629 97 D N -0.647 119.760 120.400 0.011 0.000 2.182 97 D HA -0.067 4.574 4.640 0.001 0.000 0.201 97 D C 1.676 177.970 176.300 -0.009 0.000 0.986 97 D CA 1.700 55.696 54.000 -0.006 0.000 0.847 97 D CB -0.471 40.333 40.800 0.008 0.000 0.942 97 D HN 0.411 nan 8.370 nan 0.000 0.467 98 T N 0.343 114.904 114.554 0.010 0.000 2.777 98 T HA -0.125 4.225 4.350 0.001 0.000 0.266 98 T C 1.816 176.533 174.700 0.027 0.000 1.040 98 T CA 0.546 62.662 62.100 0.027 0.000 1.141 98 T CB -0.213 68.675 68.868 0.032 0.000 0.868 98 T HN 0.080 nan 8.240 nan 0.000 0.444 99 L N 0.894 122.124 121.223 0.011 0.000 2.109 99 L HA 0.048 4.388 4.340 0.001 0.000 0.207 99 L C 2.497 179.311 176.870 -0.093 0.000 1.086 99 L CA 1.687 56.534 54.840 0.012 0.000 0.760 99 L CB -0.663 41.422 42.059 0.043 0.000 0.910 99 L HN 0.201 nan 8.230 nan 0.000 0.437 100 Q N -0.862 118.799 119.800 -0.232 0.000 1.993 100 Q HA -0.269 4.071 4.340 0.001 0.000 0.202 100 Q C 2.284 178.141 176.000 -0.238 0.000 0.984 100 Q CA 2.107 57.594 55.803 -0.526 0.000 0.837 100 Q CB -0.153 28.284 28.738 -0.501 0.000 0.902 100 Q HN 0.631 nan 8.270 nan 0.000 0.423 101 Q N -0.093 119.650 119.800 -0.095 0.000 2.062 101 Q HA -0.229 4.112 4.340 0.001 0.000 0.209 101 Q C 2.154 178.192 176.000 0.064 0.000 0.996 101 Q CA 1.666 57.465 55.803 -0.007 0.000 0.859 101 Q CB -0.150 28.604 28.738 0.026 0.000 0.920 101 Q HN 0.274 nan 8.270 nan 0.000 0.415 102 L N -0.122 121.167 121.223 0.110 0.000 2.042 102 L HA -0.230 4.110 4.340 0.001 0.000 0.210 102 L C 2.189 179.223 176.870 0.273 0.000 1.076 102 L CA 1.726 56.708 54.840 0.236 0.000 0.749 102 L CB -0.528 41.648 42.059 0.194 0.000 0.893 102 L HN 0.369 nan 8.230 nan 0.000 0.432 103 M N -1.071 118.633 119.600 0.174 0.000 2.117 103 M HA -0.197 4.284 4.480 0.001 0.000 0.262 103 M C 2.143 178.547 176.300 0.173 0.000 1.065 103 M CA 1.619 57.067 55.300 0.247 0.000 1.114 103 M CB -0.937 31.744 32.600 0.135 0.000 1.361 103 M HN 0.364 nan 8.290 nan 0.000 0.408 104 E N -0.550 119.695 120.200 0.074 0.000 2.028 104 E HA -0.105 4.245 4.350 0.001 0.000 0.190 104 E C 2.089 178.690 176.600 0.003 0.000 0.984 104 E CA 0.976 57.405 56.400 0.048 0.000 0.800 104 E CB -0.220 29.494 29.700 0.022 0.000 0.758 104 E HN 0.191 nan 8.360 nan 0.000 0.448 105 V N 0.867 120.776 119.914 -0.008 0.000 2.453 105 V HA -0.232 3.888 4.120 0.001 0.000 0.252 105 V C 1.476 177.354 176.094 -0.360 0.000 1.068 105 V CA 1.627 63.849 62.300 -0.131 0.000 1.070 105 V CB -0.420 31.318 31.823 -0.141 0.000 0.664 105 V HN 0.195 nan 8.190 nan 0.000 0.461 106 F N -0.317 119.452 119.950 -0.302 0.000 2.660 106 F HA 0.291 4.818 4.527 -0.000 0.000 0.302 106 F C 1.254 176.661 175.800 -0.655 0.000 1.103 106 F CA -0.401 57.183 58.000 -0.694 0.000 1.340 106 F CB 0.059 38.334 39.000 -1.208 0.000 1.048 106 F HN -0.036 nan 8.300 nan 0.000 0.551 107 K N -0.990 119.297 120.400 -0.188 0.000 3.130 107 K HA -0.250 4.071 4.320 0.001 0.000 0.282 107 K C 0.593 177.210 176.600 0.029 0.000 1.145 107 K CA 0.560 56.811 56.287 -0.061 0.000 0.831 107 K CB -2.545 29.936 32.500 -0.031 0.000 1.226 107 K HN 0.292 nan 8.250 nan 0.000 0.478 108 F N 0.882 120.913 119.950 0.135 0.000 2.456 108 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 108 F C 1.976 177.853 175.800 0.128 0.000 1.104 108 F CA 1.310 59.382 58.000 0.121 0.000 1.435 108 F CB -0.420 38.660 39.000 0.134 0.000 1.078 108 F HN 0.278 nan 8.300 nan 0.000 0.546 109 D N -1.049 119.538 120.400 0.311 0.000 2.371 109 D HA -0.093 4.547 4.640 0.001 0.000 0.234 109 D C 1.384 177.791 176.300 0.178 0.000 1.049 109 D CA 1.060 55.221 54.000 0.268 0.000 0.907 109 D CB -0.621 40.351 40.800 0.287 0.000 0.891 109 D HN 0.263 nan 8.370 nan 0.000 0.531 110 T N -2.532 112.110 114.554 0.147 0.000 3.054 110 T HA 0.229 4.579 4.350 0.001 0.000 0.255 110 T C 0.653 175.398 174.700 0.076 0.000 1.035 110 T CA -0.567 61.585 62.100 0.087 0.000 0.941 110 T CB -0.329 68.566 68.868 0.046 0.000 1.026 110 T HN 0.133 nan 8.240 nan 0.000 0.533 111 I N 2.717 123.356 120.570 0.115 0.000 2.337 111 I HA 0.353 4.524 4.170 0.001 0.000 0.291 111 I C 1.067 177.239 176.117 0.093 0.000 1.046 111 I CA -0.447 60.909 61.300 0.094 0.000 1.324 111 I CB 0.782 38.868 38.000 0.144 0.000 1.409 111 I HN 0.341 nan 8.210 nan 0.000 0.494 112 S N 6.785 122.522 115.700 0.061 0.000 3.106 112 S HA 0.047 4.517 4.470 0.001 0.000 0.304 112 S C 0.509 175.157 174.600 0.079 0.000 1.118 112 S CA 0.556 58.792 58.200 0.060 0.000 1.403 112 S CB -0.234 62.995 63.200 0.049 0.000 1.555 112 S HN 0.644 nan 8.310 nan 0.000 0.584 113 E N 0.300 120.562 120.200 0.104 0.000 2.378 113 E HA 0.791 5.142 4.350 0.001 0.000 0.173 113 E C 0.908 177.555 176.600 0.079 0.000 0.853 113 E CA 0.388 56.869 56.400 0.135 0.000 0.866 113 E CB 0.543 30.392 29.700 0.249 0.000 2.077 113 E HN 0.341 nan 8.360 nan 0.000 0.408 114 K N -0.566 119.874 120.400 0.067 0.000 2.826 114 K HA 0.171 4.491 4.320 0.001 0.000 0.195 114 K C 0.645 177.237 176.600 -0.013 0.000 1.516 114 K CA 1.040 57.334 56.287 0.011 0.000 1.213 114 K CB -0.077 32.427 32.500 0.007 0.000 1.762 114 K HN 0.474 nan 8.250 nan 0.000 0.583 115 T N -0.243 114.318 114.554 0.011 0.000 2.824 115 T HA 0.392 4.742 4.350 0.001 0.000 0.280 115 T C 1.164 175.888 174.700 0.040 0.000 0.995 115 T CA 0.288 62.395 62.100 0.012 0.000 1.009 115 T CB 1.636 70.507 68.868 0.005 0.000 0.955 115 T HN 0.555 nan 8.240 nan 0.000 0.452 116 S N 1.412 117.165 115.700 0.087 0.000 2.465 116 S HA -0.206 4.264 4.470 0.001 0.000 0.241 116 S C 1.427 176.034 174.600 0.012 0.000 1.000 116 S CA 1.238 59.506 58.200 0.112 0.000 0.964 116 S CB -0.663 62.668 63.200 0.218 0.000 0.763 116 S HN 0.900 nan 8.310 nan 0.000 0.512 117 D N 0.656 121.075 120.400 0.032 0.000 2.234 117 D HA -0.058 4.582 4.640 0.001 0.000 0.205 117 D C 2.203 178.467 176.300 -0.060 0.000 0.962 117 D CA 1.149 55.184 54.000 0.058 0.000 0.855 117 D CB -0.827 40.015 40.800 0.070 0.000 0.951 117 D HN 0.681 nan 8.370 nan 0.000 0.500 118 Q N 1.619 121.332 119.800 -0.144 0.000 2.291 118 Q HA 0.008 4.348 4.340 0.001 0.000 0.206 118 Q C 2.427 178.080 176.000 -0.578 0.000 0.976 118 Q CA 1.441 57.027 55.803 -0.361 0.000 0.875 118 Q CB -1.266 27.302 28.738 -0.283 0.000 0.927 118 Q HN 0.756 nan 8.270 nan 0.000 0.450 119 I N -2.652 117.725 120.570 -0.322 0.000 2.394 119 I HA -0.202 3.968 4.170 0.001 0.000 0.251 119 I C 2.131 178.106 176.117 -0.237 0.000 1.136 119 I CA 1.561 62.711 61.300 -0.249 0.000 1.425 119 I CB -0.384 37.391 38.000 -0.374 0.000 1.079 119 I HN 0.390 nan 8.210 nan 0.000 0.425 120 H N 0.246 119.270 119.070 -0.077 0.000 2.491 120 H HA -0.127 4.430 4.556 0.002 0.000 0.290 120 H C 1.885 177.139 175.328 -0.124 0.000 1.050 120 H CA 1.788 57.798 56.048 -0.064 0.000 1.309 120 H CB -0.448 29.264 29.762 -0.083 0.000 1.392 120 H HN 0.550 nan 8.280 nan 0.000 0.554 121 F N 0.795 120.610 119.950 -0.225 0.000 2.234 121 F HA -0.097 4.430 4.527 -0.000 0.000 0.296 121 F C 1.693 177.430 175.800 -0.104 0.000 1.089 121 F CA 0.640 58.490 58.000 -0.250 0.000 1.343 121 F CB -0.259 38.499 39.000 -0.404 0.000 1.040 121 F HN -0.123 nan 8.300 nan 0.000 0.498 122 F N -1.018 118.934 119.950 0.005 0.000 2.234 122 F HA -0.040 4.488 4.527 0.001 0.000 0.296 122 F C 2.192 177.965 175.800 -0.044 0.000 1.089 122 F CA 0.483 58.442 58.000 -0.070 0.000 1.343 122 F CB -1.671 37.337 39.000 0.013 0.000 1.040 122 F HN -0.036 nan 8.300 nan 0.000 0.498 123 F N 0.895 120.875 119.950 0.050 0.000 2.171 123 F HA -0.070 4.458 4.527 0.002 0.000 0.300 123 F C 2.360 178.154 175.800 -0.010 0.000 1.090 123 F CA 0.760 58.792 58.000 0.054 0.000 1.293 123 F CB -0.807 38.254 39.000 0.103 0.000 1.013 123 F HN -0.051 nan 8.300 nan 0.000 0.486 124 A N -0.215 122.653 122.820 0.081 0.000 1.898 124 A HA -0.143 4.177 4.320 0.001 0.000 0.216 124 A C 2.334 179.882 177.584 -0.059 0.000 1.181 124 A CA 1.251 53.244 52.037 -0.073 0.000 0.620 124 A CB -0.456 18.398 19.000 -0.243 0.000 0.819 124 A HN 0.138 nan 8.150 nan 0.000 0.442 125 K N -0.547 119.763 120.400 -0.150 0.000 2.063 125 K HA -0.130 4.190 4.320 0.001 0.000 0.208 125 K C 1.913 178.507 176.600 -0.010 0.000 1.048 125 K CA 1.378 57.592 56.287 -0.121 0.000 0.928 125 K CB -0.775 31.636 32.500 -0.148 0.000 0.713 125 K HN 0.468 nan 8.250 nan 0.000 0.442 126 L N 2.040 123.286 121.223 0.039 0.000 2.056 126 L HA -0.100 4.240 4.340 0.001 0.000 0.207 126 L C 1.574 178.483 176.870 0.065 0.000 1.078 126 L CA 1.732 56.595 54.840 0.038 0.000 0.749 126 L CB -0.672 41.391 42.059 0.007 0.000 0.901 126 L HN 0.102 nan 8.230 nan 0.000 0.433 127 N N -0.803 118.015 118.700 0.197 0.000 2.289 127 N HA -0.175 4.566 4.740 0.001 0.000 0.184 127 N C 1.874 177.517 175.510 0.222 0.000 1.016 127 N CA 1.549 54.783 53.050 0.306 0.000 0.872 127 N CB -0.654 38.102 38.487 0.449 0.000 0.973 127 N HN 0.457 nan 8.380 nan 0.000 0.433 128 c N 1.252 119.922 118.600 0.116 0.000 2.462 128 c HA 0.002 4.573 4.570 0.001 0.000 0.278 128 c C 2.576 176.692 174.090 0.043 0.000 1.253 128 c CA 0.291 56.668 56.329 0.080 0.000 1.713 128 c CB -0.594 41.932 42.510 0.027 0.000 2.049 128 c HN 0.463 nan 8.230 nan 0.000 0.477 129 R N 1.034 121.536 120.500 0.004 0.000 2.073 129 R HA -0.040 4.301 4.340 0.001 0.000 0.234 129 R C 2.095 178.354 176.300 -0.068 0.000 1.134 129 R CA 1.143 57.233 56.100 -0.016 0.000 0.952 129 R CB -1.291 29.000 30.300 -0.015 0.000 0.850 129 R HN 0.534 nan 8.270 nan 0.000 0.433 130 L N -0.125 120.989 121.223 -0.182 0.000 1.994 130 L HA -0.177 4.164 4.340 0.001 0.000 0.208 130 L C 1.576 178.205 176.870 -0.401 0.000 1.071 130 L CA 1.503 56.099 54.840 -0.406 0.000 0.745 130 L CB -0.436 41.128 42.059 -0.826 0.000 0.892 130 L HN 0.149 nan 8.230 nan 0.000 0.431 131 Y N -0.183 120.165 120.300 0.080 0.000 2.537 131 Y HA 0.420 4.970 4.550 0.001 0.000 0.303 131 Y C 1.093 177.032 175.900 0.064 0.000 1.176 131 Y CA 0.434 58.582 58.100 0.080 0.000 1.273 131 Y CB -0.815 37.694 38.460 0.081 0.000 1.110 131 Y HN 0.233 nan 8.280 nan 0.000 0.518 139 K N 1.834 122.147 120.400 -0.145 0.000 2.262 139 K HA 0.674 4.995 4.320 0.001 0.000 0.282 139 K C -1.319 175.302 176.600 0.036 0.000 1.066 139 K CA -0.478 55.785 56.287 -0.041 0.000 0.901 139 K CB 0.428 32.908 32.500 -0.032 0.000 1.089 139 K HN 0.561 nan 8.250 nan 0.000 0.476 140 L N 5.939 127.283 121.223 0.203 0.000 2.471 140 L HA 0.539 4.879 4.340 0.001 0.000 0.263 140 L C -0.786 176.331 176.870 0.413 0.000 0.985 140 L CA -0.501 54.555 54.840 0.360 0.000 0.868 140 L CB 1.640 43.921 42.059 0.370 0.000 1.203 140 L HN 0.576 nan 8.230 nan 0.000 0.429 141 V N 1.242 121.371 119.914 0.358 0.000 3.019 141 V HA 0.992 5.112 4.120 0.001 0.000 0.317 141 V C -0.363 175.717 176.094 -0.023 0.000 1.094 141 V CA -0.522 61.898 62.300 0.199 0.000 1.000 141 V CB 1.787 33.681 31.823 0.119 0.000 1.060 141 V HN 0.778 nan 8.190 nan 0.000 0.443 142 S N 0.613 116.090 115.700 -0.371 0.000 2.533 142 S HA 0.866 5.337 4.470 0.001 0.000 0.271 142 S C -0.875 173.556 174.600 -0.282 0.000 1.143 142 S CA 0.149 58.070 58.200 -0.465 0.000 0.891 142 S CB 1.500 64.029 63.200 -1.119 0.000 1.105 142 S HN 2.262 nan 8.310 nan 0.000 0.468 143 A N 3.751 126.492 122.820 -0.132 0.000 2.427 143 A HA 0.813 5.134 4.320 0.001 0.000 0.298 143 A C -1.375 176.328 177.584 0.198 0.000 1.036 143 A CA -0.832 51.210 52.037 0.008 0.000 0.701 143 A CB 1.219 20.189 19.000 -0.050 0.000 1.250 143 A HN 0.735 nan 8.150 nan 0.000 0.412 144 N N 1.295 120.114 118.700 0.198 0.000 2.269 144 N HA 0.698 5.438 4.740 0.001 0.000 0.304 144 N C -0.675 174.836 175.510 0.002 0.000 1.072 144 N CA -0.495 52.639 53.050 0.140 0.000 0.802 144 N CB 2.343 40.825 38.487 -0.008 0.000 1.348 144 N HN 0.811 nan 8.380 nan 0.000 0.484 145 R N 1.263 121.622 120.500 -0.234 0.000 2.668 145 R HA 0.531 4.871 4.340 0.001 0.000 0.272 145 R C -1.647 174.240 176.300 -0.688 0.000 1.019 145 R CA -0.594 55.112 56.100 -0.657 0.000 0.894 145 R CB 1.426 30.893 30.300 -1.388 0.000 1.228 145 R HN 0.460 nan 8.270 nan 0.000 0.460 146 L N 3.878 124.665 121.223 -0.727 0.000 2.322 146 L HA 0.542 4.883 4.340 0.001 0.000 0.281 146 L C -1.114 175.348 176.870 -0.680 0.000 1.014 146 L CA -0.718 53.807 54.840 -0.525 0.000 0.815 146 L CB 1.467 43.290 42.059 -0.393 0.000 1.247 146 L HN 0.558 nan 8.230 nan 0.000 0.421 147 F N 1.330 121.165 119.950 -0.191 0.000 2.366 147 F HA 0.556 5.083 4.527 0.001 0.000 0.366 147 F C 0.802 176.646 175.800 0.073 0.000 1.096 147 F CA -0.617 57.323 58.000 -0.101 0.000 1.060 147 F CB 1.577 40.564 39.000 -0.022 0.000 1.282 147 F HN 0.403 nan 8.300 nan 0.000 0.450 148 G N 1.130 109.994 108.800 0.107 0.000 2.471 148 G HA2 0.358 4.319 3.960 0.001 0.000 0.332 148 G HA3 0.358 4.319 3.960 0.001 0.000 0.332 148 G C -1.461 173.670 174.900 0.386 0.000 1.176 148 G CA -0.651 44.649 45.100 0.333 0.000 0.949 148 G HN 0.466 nan 8.290 nan 0.000 0.488 149 D N -0.860 119.880 120.400 0.567 0.000 2.389 149 D HA 0.098 4.738 4.640 0.001 0.000 0.247 149 D C 1.798 178.188 176.300 0.149 0.000 1.128 149 D CA -0.187 53.963 54.000 0.249 0.000 0.884 149 D CB 1.045 42.055 40.800 0.349 0.000 1.194 149 D HN 0.446 nan 8.370 nan 0.000 0.441 150 K N 0.898 121.308 120.400 0.017 0.000 2.148 150 K HA -0.148 4.172 4.320 0.001 0.000 0.204 150 K C 1.553 178.156 176.600 0.006 0.000 1.050 150 K CA 1.346 57.642 56.287 0.016 0.000 0.942 150 K CB -0.162 32.322 32.500 -0.028 0.000 0.724 150 K HN 0.316 nan 8.250 nan 0.000 0.446 151 S N 0.195 115.892 115.700 -0.005 0.000 2.481 151 S HA 0.026 4.496 4.470 0.001 0.000 0.231 151 S C 0.650 175.209 174.600 -0.068 0.000 0.996 151 S CA -0.135 58.050 58.200 -0.026 0.000 0.942 151 S CB -0.275 62.916 63.200 -0.016 0.000 0.768 151 S HN 0.105 nan 8.310 nan 0.000 0.520 152 L N 1.500 122.651 121.223 -0.118 0.000 2.416 152 L HA 0.494 4.834 4.340 0.001 0.000 0.262 152 L C 0.318 176.987 176.870 -0.334 0.000 1.093 152 L CA 0.134 54.810 54.840 -0.274 0.000 0.801 152 L CB 1.119 42.903 42.059 -0.459 0.000 1.191 152 L HN -0.037 nan 8.230 nan 0.000 0.459 153 T N 1.569 115.910 114.554 -0.354 0.000 2.772 153 T HA 0.513 4.863 4.350 0.001 0.000 0.288 153 T C -0.629 173.883 174.700 -0.312 0.000 0.994 153 T CA -0.148 61.816 62.100 -0.226 0.000 0.951 153 T CB -0.006 68.795 68.868 -0.110 0.000 0.933 153 T HN 0.048 nan 8.240 nan 0.000 0.447 154 F N 3.075 123.039 119.950 0.023 0.000 2.394 154 F HA 0.323 4.850 4.527 0.001 0.000 0.340 154 F C 1.210 177.045 175.800 0.058 0.000 1.105 154 F CA -1.170 56.859 58.000 0.047 0.000 1.124 154 F CB 0.685 39.737 39.000 0.086 0.000 1.145 154 F HN 0.421 nan 8.300 nan 0.000 0.505 155 N N 2.583 121.438 118.700 0.258 0.000 2.359 155 N HA -0.121 4.619 4.740 0.001 0.000 0.261 155 N C 1.005 176.629 175.510 0.190 0.000 1.267 155 N CA 0.253 53.409 53.050 0.177 0.000 0.864 155 N CB 0.701 39.282 38.487 0.157 0.000 1.063 155 N HN 0.679 nan 8.380 nan 0.000 0.474 156 E N 2.554 122.818 120.200 0.108 0.000 2.058 156 E HA -0.124 4.226 4.350 0.001 0.000 0.194 156 E C 1.322 177.946 176.600 0.040 0.000 0.997 156 E CA 1.793 58.231 56.400 0.064 0.000 0.801 156 E CB -0.167 29.554 29.700 0.035 0.000 0.746 156 E HN 0.708 nan 8.360 nan 0.000 0.450 157 T N -0.177 114.408 114.554 0.051 0.000 2.708 157 T HA -0.197 4.154 4.350 0.001 0.000 0.266 157 T C 1.556 176.268 174.700 0.020 0.000 1.037 157 T CA 1.465 63.582 62.100 0.028 0.000 1.146 157 T CB -0.631 68.261 68.868 0.040 0.000 0.865 157 T HN 0.302 nan 8.240 nan 0.000 0.435 158 Y N 1.711 122.000 120.300 -0.019 0.000 2.165 158 Y HA -0.198 4.352 4.550 0.000 0.000 0.286 158 Y C 2.603 178.467 175.900 -0.060 0.000 1.155 158 Y CA 1.573 59.651 58.100 -0.037 0.000 1.164 158 Y CB -0.531 37.923 38.460 -0.011 0.000 0.978 158 Y HN 0.187 nan 8.280 nan 0.000 0.513 159 Q N -0.190 119.473 119.800 -0.228 0.000 2.079 159 Q HA -0.189 4.151 4.340 0.001 0.000 0.200 159 Q C 1.768 177.609 176.000 -0.265 0.000 0.974 159 Q CA 1.806 57.430 55.803 -0.299 0.000 0.840 159 Q CB -0.068 28.620 28.738 -0.084 0.000 0.898 159 Q HN 0.494 nan 8.270 nan 0.000 0.430 160 D N 0.063 120.365 120.400 -0.165 0.000 2.097 160 D HA -0.131 4.510 4.640 0.001 0.000 0.197 160 D C 1.797 177.998 176.300 -0.166 0.000 0.984 160 D CA 1.045 54.965 54.000 -0.134 0.000 0.826 160 D CB -0.120 40.632 40.800 -0.079 0.000 0.973 160 D HN 0.314 nan 8.370 nan 0.000 0.460 161 I N 0.698 121.156 120.570 -0.186 0.000 2.361 161 I HA -0.205 3.965 4.170 0.001 0.000 0.251 161 I C 2.158 178.124 176.117 -0.251 0.000 1.133 161 I CA 0.737 61.920 61.300 -0.196 0.000 1.413 161 I CB -0.126 37.771 38.000 -0.172 0.000 1.073 161 I HN -0.133 nan 8.210 nan 0.000 0.424 162 S N -0.068 115.426 115.700 -0.344 0.000 2.428 162 S HA -0.173 4.297 4.470 0.001 0.000 0.230 162 S C 1.906 176.390 174.600 -0.193 0.000 1.014 162 S CA 1.026 59.057 58.200 -0.281 0.000 0.957 162 S CB -0.137 62.749 63.200 -0.523 0.000 0.784 162 S HN 0.495 nan 8.310 nan 0.000 0.499 163 E N 0.611 120.685 120.200 -0.210 0.000 2.122 163 E HA -0.027 4.324 4.350 0.001 0.000 0.190 163 E C 1.998 178.519 176.600 -0.131 0.000 0.977 163 E CA 0.391 56.697 56.400 -0.157 0.000 0.820 163 E CB -0.066 29.546 29.700 -0.147 0.000 0.770 163 E HN 0.313 nan 8.360 nan 0.000 0.462 164 L N 0.368 121.505 121.223 -0.143 0.000 2.005 164 L HA -0.103 4.237 4.340 0.001 0.000 0.207 164 L C 2.187 178.953 176.870 -0.173 0.000 1.072 164 L CA 1.422 56.187 54.840 -0.127 0.000 0.744 164 L CB -0.392 41.602 42.059 -0.108 0.000 0.895 164 L HN 0.044 nan 8.230 nan 0.000 0.433 165 V N -1.357 118.389 119.914 -0.280 0.000 2.346 165 V HA -0.218 3.903 4.120 0.001 0.000 0.244 165 V C 1.569 177.275 176.094 -0.647 0.000 1.037 165 V CA 1.657 63.651 62.300 -0.510 0.000 1.029 165 V CB -0.629 30.732 31.823 -0.770 0.000 0.663 165 V HN 0.482 nan 8.190 nan 0.000 0.454 166 Y N -0.162 120.049 120.300 -0.149 0.000 2.500 166 Y HA 0.533 5.084 4.550 0.001 0.000 0.246 166 Y C 1.738 177.561 175.900 -0.128 0.000 1.146 166 Y CA -0.039 57.970 58.100 -0.153 0.000 1.230 166 Y CB 0.063 38.394 38.460 -0.215 0.000 1.214 166 Y HN 0.263 nan 8.280 nan 0.000 0.526 167 G N 1.281 110.059 108.800 -0.037 0.000 2.305 167 G HA2 -0.171 3.789 3.960 0.001 0.000 0.287 167 G HA3 -0.171 3.789 3.960 0.001 0.000 0.287 167 G C 0.117 174.983 174.900 -0.057 0.000 1.036 167 G CA 0.265 45.337 45.100 -0.046 0.000 0.887 167 G HN 0.640 nan 8.290 nan 0.000 0.505 168 A N 0.084 122.850 122.820 -0.089 0.000 2.280 168 A HA 0.687 5.007 4.320 0.001 0.000 0.320 168 A C 0.592 178.035 177.584 -0.236 0.000 1.366 168 A CA -0.313 51.624 52.037 -0.167 0.000 0.938 168 A CB 0.534 19.426 19.000 -0.181 0.000 1.157 168 A HN 0.440 nan 8.150 nan 0.000 0.536 169 K N 1.398 121.644 120.400 -0.255 0.000 2.098 169 K HA 0.457 4.778 4.320 0.001 0.000 0.257 169 K C -0.674 175.705 176.600 -0.367 0.000 0.999 169 K CA -0.438 55.691 56.287 -0.263 0.000 0.924 169 K CB 1.594 33.971 32.500 -0.205 0.000 1.028 169 K HN 0.654 nan 8.250 nan 0.000 0.466 170 L N 2.721 123.754 121.223 -0.317 0.000 2.272 170 L HA 0.157 4.497 4.340 0.001 0.000 0.284 170 L C -0.502 176.186 176.870 -0.303 0.000 1.045 170 L CA -0.281 54.347 54.840 -0.352 0.000 0.842 170 L CB 0.783 42.666 42.059 -0.294 0.000 1.224 170 L HN 0.580 nan 8.230 nan 0.000 0.430 171 Q N 6.514 126.068 119.800 -0.410 0.000 2.274 171 Q HA 0.424 4.765 4.340 0.001 0.000 0.256 171 Q C -2.425 173.485 176.000 -0.150 0.000 0.927 171 Q CA -1.773 53.861 55.803 -0.282 0.000 0.939 171 Q CB 1.583 30.098 28.738 -0.372 0.000 1.201 171 Q HN 0.380 nan 8.270 nan 0.000 0.426 172 P HA 0.296 nan 4.420 nan 0.000 0.284 172 P C -1.060 176.171 177.300 -0.113 0.000 1.253 172 P CA -0.151 62.915 63.100 -0.057 0.000 0.800 172 P CB 0.885 32.570 31.700 -0.026 0.000 0.961 173 L N 1.525 122.603 121.223 -0.243 0.000 2.376 173 L HA 0.430 4.770 4.340 0.001 0.000 0.258 173 L C -0.301 176.287 176.870 -0.471 0.000 1.013 173 L CA -0.747 53.851 54.840 -0.403 0.000 0.822 173 L CB 2.382 44.046 42.059 -0.658 0.000 1.388 173 L HN 0.204 nan 8.230 nan 0.000 0.413 174 D N 0.303 120.498 120.400 -0.341 0.000 2.557 174 D HA 0.233 4.874 4.640 0.001 0.000 0.236 174 D C 0.568 176.790 176.300 -0.130 0.000 1.154 174 D CA -0.178 53.706 54.000 -0.193 0.000 0.985 174 D CB 0.296 41.042 40.800 -0.091 0.000 1.010 174 D HN 0.192 nan 8.370 nan 0.000 0.516 175 F N 1.467 121.429 119.950 0.021 0.000 2.084 175 F HA 0.010 4.537 4.527 0.001 0.000 0.296 175 F C 2.418 178.222 175.800 0.007 0.000 1.111 175 F CA 0.781 58.788 58.000 0.013 0.000 1.224 175 F CB -0.486 38.527 39.000 0.022 0.000 0.991 175 F HN 0.256 nan 8.300 nan 0.000 0.471 176 K N -0.300 120.228 120.400 0.214 0.000 2.293 176 K HA -0.256 4.064 4.320 0.001 0.000 0.204 176 K C 1.586 178.227 176.600 0.068 0.000 1.045 176 K CA 1.891 58.246 56.287 0.114 0.000 0.933 176 K CB 0.025 32.573 32.500 0.080 0.000 0.736 176 K HN 0.179 nan 8.250 nan 0.000 0.463 177 E N -1.151 119.083 120.200 0.056 0.000 2.467 177 E HA 0.178 4.528 4.350 0.001 0.000 0.213 177 E C -0.621 175.996 176.600 0.029 0.000 0.823 177 E CA 0.062 56.481 56.400 0.031 0.000 1.233 177 E CB 0.896 30.604 29.700 0.013 0.000 1.233 177 E HN 0.092 nan 8.360 nan 0.000 0.585 178 N N 0.499 119.218 118.700 0.032 0.000 2.733 178 N HA 0.255 4.996 4.740 0.001 0.000 0.271 178 N C -0.079 175.464 175.510 0.054 0.000 1.720 178 N CA 0.460 53.525 53.050 0.025 0.000 0.803 178 N CB 1.528 40.014 38.487 -0.002 0.000 1.208 178 N HN 0.099 nan 8.380 nan 0.000 0.498 179 A N 1.293 124.167 122.820 0.091 0.000 1.841 179 A HA -0.212 4.108 4.320 0.001 0.000 0.216 179 A C 2.161 179.800 177.584 0.091 0.000 1.199 179 A CA 2.528 54.649 52.037 0.139 0.000 0.621 179 A CB -0.827 18.236 19.000 0.105 0.000 0.835 179 A HN 0.519 nan 8.150 nan 0.000 0.445 180 E N -1.610 118.620 120.200 0.051 0.000 2.114 180 E HA -0.278 4.072 4.350 0.001 0.000 0.199 180 E C 2.265 178.877 176.600 0.021 0.000 1.008 180 E CA 3.249 59.667 56.400 0.030 0.000 0.810 180 E CB -1.593 28.119 29.700 0.020 0.000 0.739 180 E HN 1.019 nan 8.360 nan 0.000 0.456 181 Q N 0.017 119.827 119.800 0.016 0.000 2.079 181 Q HA -0.054 4.286 4.340 0.001 0.000 0.200 181 Q C 2.653 178.647 176.000 -0.009 0.000 0.974 181 Q CA 1.889 57.693 55.803 0.001 0.000 0.840 181 Q CB -0.790 27.945 28.738 -0.006 0.000 0.898 181 Q HN 0.656 nan 8.270 nan 0.000 0.430 182 S N 0.088 115.785 115.700 -0.005 0.000 2.382 182 S HA -0.149 4.322 4.470 0.001 0.000 0.228 182 S C 2.052 176.645 174.600 -0.013 0.000 1.027 182 S CA 1.117 59.297 58.200 -0.034 0.000 0.991 182 S CB -0.275 62.901 63.200 -0.041 0.000 0.823 182 S HN 0.728 nan 8.310 nan 0.000 0.469 183 R N 1.609 122.127 120.500 0.030 0.000 2.080 183 R HA -0.117 4.223 4.340 0.001 0.000 0.236 183 R C 2.414 178.693 176.300 -0.034 0.000 1.137 183 R CA 1.526 57.625 56.100 -0.002 0.000 0.943 183 R CB -0.665 29.641 30.300 0.011 0.000 0.846 183 R HN 0.351 nan 8.270 nan 0.000 0.431 184 A N 0.677 123.487 122.820 -0.016 0.000 1.948 184 A HA -0.204 4.117 4.320 0.001 0.000 0.220 184 A C 2.381 179.956 177.584 -0.016 0.000 1.177 184 A CA 2.027 54.057 52.037 -0.011 0.000 0.636 184 A CB -0.963 18.035 19.000 -0.003 0.000 0.815 184 A HN 0.624 nan 8.150 nan 0.000 0.449 185 A N 0.064 122.865 122.820 -0.033 0.000 1.845 185 A HA -0.100 4.220 4.320 0.001 0.000 0.215 185 A C 2.141 179.689 177.584 -0.059 0.000 1.195 185 A CA 1.566 53.586 52.037 -0.027 0.000 0.616 185 A CB -0.690 18.284 19.000 -0.045 0.000 0.832 185 A HN 0.507 nan 8.150 nan 0.000 0.443 186 I N 0.163 120.586 120.570 -0.244 0.000 2.163 186 I HA -0.304 3.866 4.170 0.001 0.000 0.243 186 I C 2.095 178.164 176.117 -0.081 0.000 1.085 186 I CA 1.462 62.484 61.300 -0.465 0.000 1.347 186 I CB -0.662 36.903 38.000 -0.725 0.000 1.044 186 I HN 0.338 nan 8.210 nan 0.000 0.408 187 N N 1.322 119.994 118.700 -0.047 0.000 2.205 187 N HA -0.195 4.546 4.740 0.001 0.000 0.186 187 N C 2.036 177.581 175.510 0.059 0.000 1.015 187 N CA 2.039 55.101 53.050 0.019 0.000 0.862 187 N CB -0.398 38.090 38.487 0.002 0.000 0.986 187 N HN 0.453 nan 8.380 nan 0.000 0.429 188 K N 0.373 120.813 120.400 0.066 0.000 2.103 188 K HA -0.116 4.205 4.320 0.001 0.000 0.204 188 K C 1.805 178.479 176.600 0.124 0.000 1.052 188 K CA 1.142 57.472 56.287 0.073 0.000 0.945 188 K CB -1.454 31.084 32.500 0.065 0.000 0.722 188 K HN 0.401 nan 8.250 nan 0.000 0.443 189 W N 0.718 122.023 121.300 0.008 0.000 2.381 189 W HA -0.144 4.517 4.660 0.000 0.000 0.301 189 W C 1.754 178.301 176.519 0.047 0.000 1.205 189 W CA 1.527 58.906 57.345 0.057 0.000 1.285 189 W CB -0.038 29.524 29.460 0.170 0.000 1.133 189 W HN 0.032 nan 8.180 nan 0.000 0.521 190 V N 0.148 120.200 119.914 0.229 0.000 2.343 190 V HA -0.326 3.795 4.120 0.001 0.000 0.247 190 V C 2.500 178.534 176.094 -0.100 0.000 1.051 190 V CA 2.192 64.512 62.300 0.033 0.000 1.036 190 V CB -1.396 30.513 31.823 0.144 0.000 0.654 190 V HN 0.336 nan 8.190 nan 0.000 0.451 191 S N 0.215 115.890 115.700 -0.042 0.000 2.383 191 S HA -0.262 4.208 4.470 0.001 0.000 0.229 191 S C 1.902 176.421 174.600 -0.135 0.000 1.030 191 S CA 2.193 60.357 58.200 -0.060 0.000 1.002 191 S CB -0.493 62.691 63.200 -0.026 0.000 0.829 191 S HN 0.655 nan 8.310 nan 0.000 0.467 192 N N 0.796 119.384 118.700 -0.187 0.000 2.142 192 N HA 0.032 4.773 4.740 0.001 0.000 0.186 192 N C 1.410 176.709 175.510 -0.351 0.000 1.023 192 N CA 0.984 53.886 53.050 -0.246 0.000 0.852 192 N CB -0.048 38.294 38.487 -0.242 0.000 0.998 192 N HN 0.208 nan 8.380 nan 0.000 0.424 193 K N -0.442 119.665 120.400 -0.488 0.000 2.487 193 K HA 0.105 4.426 4.320 0.001 0.000 0.192 193 K C 0.664 177.091 176.600 -0.289 0.000 1.027 193 K CA 0.641 56.640 56.287 -0.479 0.000 1.054 193 K CB 0.055 32.101 32.500 -0.757 0.000 0.824 193 K HN 0.390 nan 8.250 nan 0.000 0.510 194 T N -1.969 112.449 114.554 -0.227 0.000 3.288 194 T HA 0.149 4.500 4.350 0.001 0.000 0.293 194 T C -0.155 174.435 174.700 -0.183 0.000 1.008 194 T CA -0.410 61.655 62.100 -0.059 0.000 0.929 194 T CB 0.250 69.169 68.868 0.086 0.000 1.152 194 T HN -0.017 nan 8.240 nan 0.000 0.517 195 E N 0.985 120.952 120.200 -0.389 0.000 2.440 195 E HA -0.242 4.108 4.350 0.001 0.000 0.246 195 E C 1.176 177.696 176.600 -0.134 0.000 1.165 195 E CA 1.089 57.289 56.400 -0.333 0.000 0.726 195 E CB -2.079 27.301 29.700 -0.533 0.000 1.271 195 E HN 1.296 nan 8.360 nan 0.000 0.397 196 G N -0.234 108.509 108.800 -0.095 0.000 2.148 196 G HA2 -0.408 3.553 3.960 0.001 0.000 0.254 196 G HA3 -0.408 3.553 3.960 0.001 0.000 0.254 196 G C 1.007 175.906 174.900 -0.003 0.000 0.981 196 G CA 0.657 45.731 45.100 -0.044 0.000 0.670 196 G HN 0.245 nan 8.290 nan 0.000 0.528 197 R N -0.361 120.158 120.500 0.032 0.000 2.075 197 R HA 0.200 4.541 4.340 0.001 0.000 0.226 197 R C 1.293 177.629 176.300 0.060 0.000 1.114 197 R CA 0.839 56.979 56.100 0.067 0.000 0.972 197 R CB -0.114 30.271 30.300 0.141 0.000 0.869 197 R HN 0.462 nan 8.270 nan 0.000 0.437 198 I N 2.282 122.889 120.570 0.062 0.000 2.330 198 I HA 0.107 4.277 4.170 0.001 0.000 0.286 198 I C 1.148 177.284 176.117 0.032 0.000 1.025 198 I CA 0.106 61.440 61.300 0.056 0.000 1.197 198 I CB 1.092 39.137 38.000 0.074 0.000 1.358 198 I HN 0.119 nan 8.210 nan 0.000 0.467 199 T N -0.516 114.053 114.554 0.025 0.000 3.042 199 T HA 0.077 4.427 4.350 0.001 0.000 0.245 199 T C 0.816 175.526 174.700 0.017 0.000 1.029 199 T CA 0.779 62.889 62.100 0.016 0.000 1.120 199 T CB -0.057 68.817 68.868 0.011 0.000 0.917 199 T HN 0.519 nan 8.240 nan 0.000 0.467 200 D N 1.288 121.699 120.400 0.017 0.000 3.068 200 D HA 0.634 5.274 4.640 0.001 0.000 0.327 200 D C 1.364 177.670 176.300 0.010 0.000 1.361 200 D CA 0.028 54.036 54.000 0.012 0.000 0.877 200 D CB -0.071 40.736 40.800 0.011 0.000 1.088 200 D HN 0.204 nan 8.370 nan 0.000 0.489 201 V N -0.091 119.831 119.914 0.014 0.000 2.324 201 V HA -0.033 4.087 4.120 0.001 0.000 0.250 201 V C 0.894 176.988 176.094 -0.001 0.000 1.060 201 V CA 1.416 63.722 62.300 0.010 0.000 1.042 201 V CB -0.197 31.642 31.823 0.027 0.000 0.650 201 V HN 0.670 nan 8.190 nan 0.000 0.450 202 I N 3.208 123.774 120.570 -0.007 0.000 2.312 202 I HA 0.320 4.491 4.170 0.001 0.000 0.290 202 I C -1.987 174.124 176.117 -0.009 0.000 1.008 202 I CA -1.842 59.448 61.300 -0.016 0.000 1.226 202 I CB 1.393 39.371 38.000 -0.036 0.000 1.371 202 I HN 0.231 nan 8.210 nan 0.000 0.468 203 P HA 0.091 nan 4.420 nan 0.000 0.277 203 P C -0.379 176.921 177.300 -0.001 0.000 1.276 203 P CA -0.392 62.709 63.100 0.002 0.000 0.788 203 P CB 0.689 32.394 31.700 0.008 0.000 1.114 204 S N -2.270 113.432 115.700 0.003 0.000 2.580 204 S HA 0.435 4.905 4.470 0.001 0.000 0.274 204 S C 0.955 175.556 174.600 0.002 0.000 1.329 204 S CA 0.525 58.727 58.200 0.003 0.000 1.036 204 S CB -0.227 62.977 63.200 0.006 0.000 0.919 204 S HN 0.808 nan 8.310 nan 0.000 0.515 205 E N -0.090 120.111 120.200 0.001 0.000 3.916 205 E HA -0.257 4.093 4.350 0.001 0.000 0.331 205 E C 1.210 177.803 176.600 -0.011 0.000 0.729 205 E CA 1.842 58.241 56.400 -0.002 0.000 1.222 205 E CB -2.391 27.310 29.700 0.002 0.000 1.633 205 E HN 1.893 nan 8.360 nan 0.000 0.437 206 A N -0.673 122.138 122.820 -0.016 0.000 2.067 206 A HA 0.566 4.887 4.320 0.001 0.000 0.217 206 A C 1.291 178.839 177.584 -0.060 0.000 1.156 206 A CA 1.277 53.296 52.037 -0.029 0.000 0.683 206 A CB 0.176 19.161 19.000 -0.025 0.000 0.808 206 A HN 0.976 nan 8.150 nan 0.000 0.455 207 I N 0.325 120.861 120.570 -0.056 0.000 2.608 207 I HA 0.373 4.543 4.170 0.001 0.000 0.295 207 I C -0.767 175.325 176.117 -0.041 0.000 1.049 207 I CA -0.849 60.394 61.300 -0.095 0.000 1.063 207 I CB 2.276 40.226 38.000 -0.083 0.000 1.248 207 I HN 0.465 nan 8.210 nan 0.000 0.424 208 N N 2.395 121.064 118.700 -0.053 0.000 3.344 208 N HA 0.228 4.968 4.740 0.001 0.000 0.296 208 N C -0.047 175.474 175.510 0.019 0.000 1.571 208 N CA -0.793 52.257 53.050 -0.001 0.000 0.844 208 N CB 0.415 38.897 38.487 -0.008 0.000 1.718 208 N HN 0.318 nan 8.380 nan 0.000 0.589 209 E N -0.273 119.946 120.200 0.032 0.000 2.233 209 E HA -0.045 4.306 4.350 0.001 0.000 0.199 209 E C 0.888 177.509 176.600 0.034 0.000 1.004 209 E CA 1.418 57.845 56.400 0.046 0.000 0.819 209 E CB -0.360 29.358 29.700 0.030 0.000 0.738 209 E HN 0.511 nan 8.360 nan 0.000 0.478 210 L N 0.297 121.520 121.223 -0.001 0.000 2.592 210 L HA 0.127 4.467 4.340 0.001 0.000 0.227 210 L C 0.428 177.268 176.870 -0.050 0.000 1.127 210 L CA -0.109 54.722 54.840 -0.015 0.000 0.884 210 L CB -0.266 41.781 42.059 -0.020 0.000 1.065 210 L HN -0.058 nan 8.230 nan 0.000 0.457 211 T N 0.099 114.587 114.554 -0.111 0.000 2.930 211 T HA 0.111 4.461 4.350 0.001 0.000 0.306 211 T C 1.107 175.688 174.700 -0.198 0.000 1.045 211 T CA 0.034 61.965 62.100 -0.283 0.000 1.134 211 T CB 2.493 70.971 68.868 -0.651 0.000 0.961 211 T HN -0.118 nan 8.240 nan 0.000 0.545 212 V N 2.557 122.385 119.914 -0.144 0.000 3.359 212 V HA 0.400 4.520 4.120 0.001 0.000 0.245 212 V C -0.189 176.070 176.094 0.274 0.000 1.247 212 V CA 0.003 62.361 62.300 0.096 0.000 1.145 212 V CB 0.458 32.330 31.823 0.081 0.000 0.906 212 V HN 0.622 nan 8.190 nan 0.000 0.464 213 L N -0.140 121.127 121.223 0.073 0.000 2.592 213 L HA 0.627 4.968 4.340 0.001 0.000 0.258 213 L C -1.668 175.197 176.870 -0.009 0.000 0.926 213 L CA -0.204 54.711 54.840 0.124 0.000 0.885 213 L CB 2.152 44.258 42.059 0.079 0.000 1.380 213 L HN -0.173 nan 8.230 nan 0.000 0.415 214 V N 5.733 125.697 119.914 0.083 0.000 2.376 214 V HA 0.476 4.597 4.120 0.001 0.000 0.287 214 V C -0.646 175.506 176.094 0.098 0.000 1.015 214 V CA -0.427 61.899 62.300 0.044 0.000 0.834 214 V CB 1.431 33.284 31.823 0.051 0.000 1.001 214 V HN 0.577 nan 8.190 nan 0.000 0.428 215 L N 6.391 127.597 121.223 -0.029 0.000 2.290 215 L HA 0.584 4.925 4.340 0.001 0.000 0.284 215 L C -0.047 176.798 176.870 -0.042 0.000 1.078 215 L CA 0.079 54.874 54.840 -0.075 0.000 0.815 215 L CB 1.235 43.192 42.059 -0.170 0.000 1.162 215 L HN 0.331 nan 8.230 nan 0.000 0.435 216 V N 3.178 123.105 119.914 0.022 0.000 2.540 216 V HA 0.519 4.640 4.120 0.001 0.000 0.302 216 V C -0.220 175.942 176.094 0.113 0.000 1.035 216 V CA -0.743 61.625 62.300 0.112 0.000 0.873 216 V CB 1.892 33.908 31.823 0.322 0.000 0.992 216 V HN 0.865 nan 8.190 nan 0.000 0.428 217 N N 1.909 120.666 118.700 0.095 0.000 2.335 217 N HA 0.553 5.294 4.740 0.001 0.000 0.304 217 N C -1.246 174.340 175.510 0.128 0.000 1.135 217 N CA -0.121 52.975 53.050 0.077 0.000 0.817 217 N CB 2.524 41.005 38.487 -0.011 0.000 1.294 217 N HN 0.656 nan 8.380 nan 0.000 0.497 218 T N 1.960 116.568 114.554 0.090 0.000 2.956 218 T HA 0.599 4.949 4.350 0.001 0.000 0.312 218 T C -1.152 173.566 174.700 0.030 0.000 1.151 218 T CA -0.410 61.726 62.100 0.059 0.000 1.024 218 T CB 0.784 69.641 68.868 -0.019 0.000 1.140 218 T HN 0.393 nan 8.240 nan 0.000 0.473 219 I N 3.441 124.074 120.570 0.104 0.000 2.610 219 I HA 0.421 4.591 4.170 0.001 0.000 0.289 219 I C -1.697 174.627 176.117 0.346 0.000 1.163 219 I CA -0.898 60.501 61.300 0.166 0.000 1.044 219 I CB 2.162 40.229 38.000 0.111 0.000 1.251 219 I HN 0.619 nan 8.210 nan 0.000 0.424 220 Y N 7.379 127.808 120.300 0.215 0.000 2.425 220 Y HA 0.692 5.243 4.550 0.001 0.000 0.344 220 Y C -1.784 174.299 175.900 0.305 0.000 0.969 220 Y CA -1.064 57.170 58.100 0.222 0.000 1.052 220 Y CB 1.913 40.411 38.460 0.064 0.000 1.215 220 Y HN 0.446 nan 8.280 nan 0.000 0.451 221 F N 5.894 125.448 119.950 -0.660 0.000 2.591 221 F HA 0.653 5.181 4.527 0.001 0.000 0.309 221 F C -1.870 173.515 175.800 -0.692 0.000 1.098 221 F CA -0.756 56.982 58.000 -0.436 0.000 0.937 221 F CB 1.646 40.558 39.000 -0.146 0.000 1.250 221 F HN 0.468 nan 8.300 nan 0.000 0.447 222 K N 4.311 123.814 120.400 -1.495 0.000 2.690 222 K HA 0.580 4.900 4.320 0.001 0.000 0.264 222 K C -1.304 174.596 176.600 -1.167 0.000 1.040 222 K CA -0.492 55.066 56.287 -1.216 0.000 0.946 222 K CB 1.319 33.522 32.500 -0.496 0.000 1.268 222 K HN 0.990 nan 8.250 nan 0.000 0.473 223 G N 2.873 110.869 108.800 -1.341 0.000 2.630 223 G HA2 0.689 4.649 3.960 0.001 0.000 0.296 223 G HA3 0.689 4.649 3.960 0.001 0.000 0.296 223 G C -1.309 173.423 174.900 -0.279 0.000 1.285 223 G CA -0.824 43.856 45.100 -0.699 0.000 0.958 223 G HN 0.385 nan 8.290 nan 0.000 0.479 224 L N -0.383 120.829 121.223 -0.018 0.000 2.331 224 L HA 0.457 4.797 4.340 0.001 0.000 0.275 224 L C -0.421 176.576 176.870 0.213 0.000 1.022 224 L CA -0.866 53.989 54.840 0.026 0.000 0.812 224 L CB 1.888 43.980 42.059 0.055 0.000 1.257 224 L HN 0.599 nan 8.230 nan 0.000 0.435 225 W N 1.799 123.258 121.300 0.265 0.000 2.193 225 W HA 0.049 4.709 4.660 0.000 0.000 0.338 225 W C 1.478 178.074 176.519 0.128 0.000 1.310 225 W CA -0.170 57.268 57.345 0.155 0.000 1.243 225 W CB 0.549 30.117 29.460 0.180 0.000 1.165 225 W HN 0.576 nan 8.180 nan 0.000 0.566 226 K N 0.981 121.606 120.400 0.375 0.000 2.217 226 K HA -0.105 4.215 4.320 0.001 0.000 0.202 226 K C 0.803 177.504 176.600 0.169 0.000 1.051 226 K CA 1.042 57.461 56.287 0.220 0.000 0.952 226 K CB 0.052 32.645 32.500 0.155 0.000 0.736 226 K HN 0.250 nan 8.250 nan 0.000 0.453 227 S N 1.033 116.857 115.700 0.208 0.000 2.130 227 S HA 0.160 4.631 4.470 0.001 0.000 0.165 227 S C -0.857 173.805 174.600 0.103 0.000 1.677 227 S CA -0.835 57.422 58.200 0.095 0.000 1.227 227 S CB 0.264 63.469 63.200 0.008 0.000 1.115 227 S HN 0.313 nan 8.310 nan 0.000 0.452 228 K N 2.193 122.719 120.400 0.209 0.000 2.552 228 K HA -0.011 4.309 4.320 0.001 0.000 0.276 228 K C -1.034 175.627 176.600 0.101 0.000 0.960 228 K CA 0.671 57.135 56.287 0.295 0.000 0.961 228 K CB 0.239 32.882 32.500 0.238 0.000 0.902 228 K HN 0.379 nan 8.250 nan 0.000 0.515 229 F N 0.595 120.619 119.950 0.124 0.000 2.458 229 F HA 0.217 4.744 4.527 0.000 0.000 0.330 229 F C 0.502 176.354 175.800 0.087 0.000 1.082 229 F CA -0.348 57.684 58.000 0.054 0.000 0.995 229 F CB 2.024 41.038 39.000 0.024 0.000 1.170 229 F HN 0.406 nan 8.300 nan 0.000 0.478 230 S N 3.765 119.603 115.700 0.230 0.000 2.422 230 S HA 0.348 4.819 4.470 0.001 0.000 0.308 230 S C -1.819 172.883 174.600 0.170 0.000 1.097 230 S CA -1.632 56.667 58.200 0.164 0.000 1.099 230 S CB 1.039 64.299 63.200 0.100 0.000 0.976 230 S HN 0.324 nan 8.310 nan 0.000 0.471 231 P HA -0.109 nan 4.420 nan 0.000 0.217 231 P C 1.413 178.771 177.300 0.097 0.000 1.151 231 P CA 1.835 65.005 63.100 0.116 0.000 0.849 231 P CB 0.051 31.805 31.700 0.089 0.000 0.787 232 E N -0.539 119.711 120.200 0.082 0.000 2.463 232 E HA -0.173 4.178 4.350 0.001 0.000 0.201 232 E C 1.468 178.105 176.600 0.062 0.000 1.045 232 E CA 1.092 57.529 56.400 0.061 0.000 0.872 232 E CB -1.293 28.435 29.700 0.047 0.000 0.797 232 E HN 0.354 nan 8.360 nan 0.000 0.538 233 N N -0.478 118.280 118.700 0.096 0.000 2.184 233 N HA 0.030 4.771 4.740 0.001 0.000 0.206 233 N C -0.214 175.387 175.510 0.152 0.000 1.151 233 N CA 0.170 53.282 53.050 0.103 0.000 0.878 233 N CB 1.126 39.699 38.487 0.144 0.000 1.014 233 N HN 0.240 nan 8.380 nan 0.000 0.512 234 T N 2.153 116.800 114.554 0.154 0.000 2.884 234 T HA 0.410 4.760 4.350 0.001 0.000 0.298 234 T C 0.260 175.034 174.700 0.122 0.000 0.998 234 T CA -0.036 62.169 62.100 0.175 0.000 1.124 234 T CB 0.778 69.725 68.868 0.132 0.000 0.931 234 T HN 0.070 nan 8.240 nan 0.000 0.531 235 R N 0.780 121.368 120.500 0.147 0.000 2.771 235 R HA 0.564 4.905 4.340 0.001 0.000 0.274 235 R C -0.846 175.523 176.300 0.117 0.000 0.987 235 R CA -1.004 55.152 56.100 0.093 0.000 0.908 235 R CB 0.561 30.885 30.300 0.040 0.000 1.213 235 R HN 0.230 nan 8.270 nan 0.000 0.468 236 K N 1.240 121.690 120.400 0.082 0.000 2.322 236 K HA 0.323 4.644 4.320 0.001 0.000 0.283 236 K C -0.483 176.177 176.600 0.100 0.000 1.042 236 K CA -0.395 55.943 56.287 0.084 0.000 0.958 236 K CB 0.626 33.159 32.500 0.056 0.000 0.984 236 K HN 0.585 nan 8.250 nan 0.000 0.473 237 E N 1.050 121.327 120.200 0.128 0.000 2.343 237 E HA 0.354 4.705 4.350 0.001 0.000 0.270 237 E C -1.022 175.657 176.600 0.131 0.000 0.895 237 E CA -1.111 55.378 56.400 0.148 0.000 0.767 237 E CB 1.834 31.672 29.700 0.230 0.000 1.248 237 E HN 0.139 nan 8.360 nan 0.000 0.440 238 L N 2.088 123.372 121.223 0.103 0.000 2.380 238 L HA 0.271 4.611 4.340 0.001 0.000 0.273 238 L C -0.791 176.099 176.870 0.034 0.000 1.138 238 L CA 0.434 55.276 54.840 0.002 0.000 0.832 238 L CB -0.011 41.994 42.059 -0.089 0.000 1.124 238 L HN 0.402 nan 8.230 nan 0.000 0.454 239 F N 4.002 123.843 119.950 -0.182 0.000 2.467 239 F HA 0.447 4.975 4.527 0.001 0.000 0.336 239 F C -1.069 174.604 175.800 -0.212 0.000 1.123 239 F CA -0.671 57.276 58.000 -0.088 0.000 0.964 239 F CB 0.896 39.879 39.000 -0.029 0.000 1.136 239 F HN 0.297 nan 8.300 nan 0.000 0.447 240 Y N 5.578 125.588 120.300 -0.484 0.000 2.367 240 Y HA 0.384 4.934 4.550 0.001 0.000 0.342 240 Y C 0.280 175.958 175.900 -0.371 0.000 0.979 240 Y CA -0.619 57.319 58.100 -0.270 0.000 1.161 240 Y CB 0.876 39.222 38.460 -0.189 0.000 1.155 240 Y HN 0.457 nan 8.280 nan 0.000 0.503 241 K N 1.181 121.626 120.400 0.075 0.000 2.117 241 K HA 0.454 4.774 4.320 0.001 0.000 0.240 241 K C 1.028 177.668 176.600 0.068 0.000 1.031 241 K CA 0.043 56.415 56.287 0.141 0.000 0.909 241 K CB 0.697 33.311 32.500 0.190 0.000 1.097 241 K HN 0.770 nan 8.250 nan 0.000 0.492 242 A N 1.352 124.210 122.820 0.063 0.000 2.076 242 A HA -0.168 4.152 4.320 0.001 0.000 0.220 242 A C 1.248 178.855 177.584 0.037 0.000 1.160 242 A CA 2.062 54.117 52.037 0.030 0.000 0.653 242 A CB -0.572 18.443 19.000 0.025 0.000 0.801 242 A HN 0.849 nan 8.150 nan 0.000 0.455 243 D N -2.666 117.766 120.400 0.053 0.000 2.328 243 D HA 0.318 4.958 4.640 0.001 0.000 0.221 243 D C 1.172 177.515 176.300 0.071 0.000 1.072 243 D CA 1.040 55.071 54.000 0.052 0.000 0.850 243 D CB -0.256 40.572 40.800 0.046 0.000 0.922 243 D HN 0.643 nan 8.370 nan 0.000 0.516 244 G N 0.142 109.000 108.800 0.097 0.000 2.659 244 G HA2 -0.272 3.689 3.960 0.001 0.000 0.212 244 G HA3 -0.272 3.689 3.960 0.001 0.000 0.212 244 G C 0.189 175.206 174.900 0.194 0.000 1.226 244 G CA -0.058 45.129 45.100 0.146 0.000 0.739 244 G HN 0.358 nan 8.290 nan 0.000 0.528 245 E N 1.727 122.006 120.200 0.131 0.000 2.459 245 E HA 0.403 4.754 4.350 0.001 0.000 0.264 245 E C 0.697 177.352 176.600 0.090 0.000 1.055 245 E CA 0.958 57.423 56.400 0.108 0.000 0.957 245 E CB 1.028 30.769 29.700 0.069 0.000 0.952 245 E HN 0.978 nan 8.360 nan 0.000 0.448 246 S N -0.051 115.654 115.700 0.008 0.000 2.566 246 S HA 0.716 5.187 4.470 0.001 0.000 0.298 246 S C -0.005 174.545 174.600 -0.083 0.000 1.083 246 S CA -0.876 57.226 58.200 -0.163 0.000 0.978 246 S CB 1.119 64.006 63.200 -0.522 0.000 1.073 246 S HN 0.716 nan 8.310 nan 0.000 0.491 247 c N -0.005 118.565 118.600 -0.051 0.000 3.213 247 c HA 0.900 5.470 4.570 0.001 0.000 0.319 247 c C -0.130 173.967 174.090 0.011 0.000 1.386 247 c CA -0.829 55.499 56.329 -0.003 0.000 1.494 247 c CB 0.840 43.367 42.510 0.027 0.000 1.905 247 c HN 0.812 nan 8.230 nan 0.000 0.456 248 S N 0.530 116.238 115.700 0.015 0.000 2.508 248 S HA 0.799 5.270 4.470 0.001 0.000 0.284 248 S C -0.074 174.545 174.600 0.031 0.000 1.192 248 S CA -0.091 58.127 58.200 0.031 0.000 1.070 248 S CB 1.173 64.387 63.200 0.024 0.000 1.004 248 S HN 1.357 nan 8.310 nan 0.000 0.493 249 A N 1.820 124.675 122.820 0.059 0.000 2.435 249 A HA 0.823 5.144 4.320 0.001 0.000 0.304 249 A C -0.048 177.579 177.584 0.072 0.000 1.064 249 A CA -0.719 51.339 52.037 0.035 0.000 0.727 249 A CB 1.084 20.082 19.000 -0.002 0.000 1.284 249 A HN 0.891 nan 8.150 nan 0.000 0.415 250 S N 2.548 118.285 115.700 0.061 0.000 2.422 250 S HA 0.554 5.025 4.470 0.001 0.000 0.283 250 S C 0.218 174.876 174.600 0.098 0.000 1.163 250 S CA -0.145 58.103 58.200 0.080 0.000 1.054 250 S CB -0.370 62.867 63.200 0.061 0.000 0.967 250 S HN 0.529 nan 8.310 nan 0.000 0.499 251 M N 3.818 123.509 119.600 0.153 0.000 2.157 251 M HA 0.405 4.885 4.480 0.001 0.000 0.354 251 M C -0.144 176.286 176.300 0.215 0.000 1.170 251 M CA -0.071 55.331 55.300 0.169 0.000 1.060 251 M CB 0.905 33.686 32.600 0.303 0.000 1.615 251 M HN 0.623 nan 8.290 nan 0.000 0.460 252 M N 2.663 122.297 119.600 0.058 0.000 2.274 252 M HA 0.398 4.878 4.480 0.001 0.000 0.344 252 M C -1.245 175.204 176.300 0.249 0.000 1.161 252 M CA -0.096 55.277 55.300 0.121 0.000 1.126 252 M CB 0.846 33.271 32.600 -0.292 0.000 1.522 252 M HN 0.445 nan 8.290 nan 0.000 0.461 253 Y N 0.861 121.365 120.300 0.340 0.000 2.492 253 Y HA 0.468 5.018 4.550 0.001 0.000 0.346 253 Y C -0.642 175.310 175.900 0.086 0.000 0.997 253 Y CA -0.584 57.654 58.100 0.230 0.000 1.025 253 Y CB 2.192 40.724 38.460 0.121 0.000 1.263 253 Y HN 0.642 nan 8.280 nan 0.000 0.454 254 Q N 1.295 121.127 119.800 0.053 0.000 2.574 254 Q HA 0.437 4.777 4.340 0.001 0.000 0.265 254 Q C -2.228 173.718 176.000 -0.091 0.000 0.975 254 Q CA -1.213 54.517 55.803 -0.121 0.000 0.923 254 Q CB 2.011 30.461 28.738 -0.481 0.000 1.518 254 Q HN 0.666 nan 8.270 nan 0.000 0.401 255 E N 1.096 121.286 120.200 -0.017 0.000 2.212 255 E HA 0.896 5.246 4.350 0.001 0.000 0.268 255 E C -0.390 176.256 176.600 0.077 0.000 0.902 255 E CA -0.829 55.588 56.400 0.029 0.000 0.779 255 E CB 2.216 31.927 29.700 0.019 0.000 1.172 255 E HN 0.923 nan 8.360 nan 0.000 0.409 256 G N 1.571 110.476 108.800 0.174 0.000 2.427 256 G HA2 0.227 4.187 3.960 0.001 0.000 0.306 256 G HA3 0.227 4.187 3.960 0.001 0.000 0.306 256 G C -1.476 173.420 174.900 -0.007 0.000 1.280 256 G CA -1.100 44.026 45.100 0.044 0.000 0.837 256 G HN 0.347 nan 8.290 nan 0.000 0.482 257 K N 0.019 120.237 120.400 -0.302 0.000 2.276 257 K HA 0.615 4.936 4.320 0.001 0.000 0.285 257 K C -1.430 174.813 176.600 -0.594 0.000 1.062 257 K CA 0.053 56.178 56.287 -0.270 0.000 0.918 257 K CB 0.812 33.187 32.500 -0.208 0.000 1.055 257 K HN 0.271 nan 8.250 nan 0.000 0.477 258 F N 0.628 120.554 119.950 -0.041 0.000 2.613 258 F HA 0.382 4.910 4.527 0.000 0.000 0.310 258 F C 0.164 175.984 175.800 0.034 0.000 1.085 258 F CA -1.138 56.851 58.000 -0.019 0.000 0.945 258 F CB 1.483 40.453 39.000 -0.051 0.000 1.298 258 F HN 0.170 nan 8.300 nan 0.000 0.455 259 R N 1.567 122.211 120.500 0.241 0.000 2.347 259 R HA 0.387 4.728 4.340 0.001 0.000 0.304 259 R C -1.460 174.993 176.300 0.254 0.000 1.072 259 R CA -0.247 55.965 56.100 0.186 0.000 0.980 259 R CB 0.748 31.128 30.300 0.133 0.000 0.986 259 R HN 0.695 nan 8.270 nan 0.000 0.448 260 Y N 0.396 120.728 120.300 0.054 0.000 2.705 260 Y HA 0.639 5.190 4.550 0.001 0.000 0.332 260 Y C -1.103 174.798 175.900 0.001 0.000 1.221 260 Y CA -0.554 57.558 58.100 0.019 0.000 1.059 260 Y CB 1.567 40.036 38.460 0.015 0.000 1.298 260 Y HN 0.656 nan 8.280 nan 0.000 0.459 261 R N 0.478 120.459 120.500 -0.864 0.000 2.907 261 R HA 0.714 5.055 4.340 0.001 0.000 0.246 261 R C -1.929 173.919 176.300 -0.753 0.000 1.082 261 R CA -0.361 55.409 56.100 -0.551 0.000 1.003 261 R CB -0.157 29.989 30.300 -0.257 0.000 1.261 261 R HN 1.449 nan 8.270 nan 0.000 0.474 262 R N 1.891 122.144 120.500 -0.411 0.000 2.471 262 R HA 0.678 5.019 4.340 0.001 0.000 0.292 262 R C 0.421 176.600 176.300 -0.202 0.000 1.192 262 R CA 0.194 56.118 56.100 -0.294 0.000 1.257 262 R CB -0.267 29.973 30.300 -0.099 0.000 1.130 262 R HN 1.056 nan 8.270 nan 0.000 0.558 263 V N 1.028 120.781 119.914 -0.270 0.000 3.857 263 V HA 0.533 4.653 4.120 0.001 0.000 0.275 263 V C 1.708 177.749 176.094 -0.089 0.000 0.992 263 V CA -0.107 62.092 62.300 -0.168 0.000 0.998 263 V CB 0.585 32.249 31.823 -0.264 0.000 1.234 263 V HN 0.940 nan 8.190 nan 0.000 0.438 264 A N -0.187 122.633 122.820 0.000 0.000 2.406 264 A HA 0.498 4.818 4.320 0.001 0.000 0.243 264 A C 1.217 178.808 177.584 0.013 0.000 1.082 264 A CA 0.643 52.696 52.037 0.026 0.000 0.786 264 A CB -0.688 18.357 19.000 0.074 0.000 1.029 264 A HN 2.040 nan 8.150 nan 0.000 0.495 265 E N -0.735 119.473 120.200 0.012 0.000 3.065 265 E HA 0.031 4.382 4.350 0.001 0.000 0.277 265 E C 2.027 178.612 176.600 -0.025 0.000 1.008 265 E CA 1.909 58.313 56.400 0.007 0.000 0.864 265 E CB -2.356 27.365 29.700 0.035 0.000 1.439 265 E HN 2.995 nan 8.360 nan 0.000 0.445 266 G N -1.805 106.967 108.800 -0.047 0.000 2.168 266 G HA2 -0.118 3.843 3.960 0.001 0.000 0.257 266 G HA3 -0.118 3.843 3.960 0.001 0.000 0.257 266 G C 0.657 175.484 174.900 -0.122 0.000 0.997 266 G CA 1.059 46.117 45.100 -0.070 0.000 0.708 266 G HN 1.610 nan 8.290 nan 0.000 0.520 267 T N 0.554 114.993 114.554 -0.191 0.000 2.907 267 T HA 0.500 4.850 4.350 0.001 0.000 0.298 267 T C 0.345 174.808 174.700 -0.396 0.000 1.017 267 T CA 0.238 62.156 62.100 -0.304 0.000 1.118 267 T CB 1.276 69.864 68.868 -0.467 0.000 0.948 267 T HN 0.409 nan 8.240 nan 0.000 0.531 268 Q N 1.264 120.862 119.800 -0.338 0.000 2.282 268 Q HA 0.641 4.981 4.340 0.001 0.000 0.260 268 Q C -1.064 174.703 176.000 -0.388 0.000 0.964 268 Q CA -0.635 54.944 55.803 -0.374 0.000 0.880 268 Q CB 1.955 30.616 28.738 -0.128 0.000 1.286 268 Q HN 0.409 nan 8.270 nan 0.000 0.445 269 V N 3.094 122.719 119.914 -0.481 0.000 2.483 269 V HA 0.497 4.618 4.120 0.001 0.000 0.297 269 V C -1.300 174.699 176.094 -0.158 0.000 1.027 269 V CA -0.796 61.337 62.300 -0.279 0.000 0.855 269 V CB 1.486 33.144 31.823 -0.275 0.000 0.995 269 V HN 0.591 nan 8.190 nan 0.000 0.424 270 L N 3.992 125.225 121.223 0.016 0.000 2.362 270 L HA 0.681 5.021 4.340 0.001 0.000 0.275 270 L C -0.412 176.520 176.870 0.103 0.000 0.998 270 L CA -0.019 54.892 54.840 0.117 0.000 0.820 270 L CB 1.857 43.970 42.059 0.090 0.000 1.270 270 L HN 0.772 nan 8.230 nan 0.000 0.415 271 E N 5.123 125.403 120.200 0.134 0.000 2.129 271 E HA 0.423 4.774 4.350 0.001 0.000 0.268 271 E C -1.596 175.107 176.600 0.172 0.000 0.900 271 E CA -0.513 55.977 56.400 0.151 0.000 0.755 271 E CB 0.992 30.784 29.700 0.153 0.000 1.117 271 E HN 0.701 nan 8.360 nan 0.000 0.410 272 L N 7.614 128.917 121.223 0.133 0.000 2.283 272 L HA 0.435 4.776 4.340 0.001 0.000 0.281 272 L C -2.106 174.845 176.870 0.134 0.000 1.033 272 L CA -1.967 52.938 54.840 0.107 0.000 0.848 272 L CB 0.934 42.892 42.059 -0.169 0.000 1.226 272 L HN 0.363 nan 8.230 nan 0.000 0.429 273 P HA 0.227 nan 4.420 nan 0.000 0.276 273 P C -0.931 176.403 177.300 0.056 0.000 1.244 273 P CA -0.211 62.963 63.100 0.123 0.000 0.801 273 P CB 0.956 32.754 31.700 0.162 0.000 1.006 274 F N 0.065 120.211 119.950 0.326 0.000 2.440 274 F HA 0.317 4.844 4.527 0.000 0.000 0.328 274 F C 1.400 177.317 175.800 0.194 0.000 1.070 274 F CA -0.882 57.278 58.000 0.268 0.000 1.011 274 F CB 0.574 39.713 39.000 0.231 0.000 1.226 274 F HN 0.019 nan 8.300 nan 0.000 0.491 275 K N 1.399 122.003 120.400 0.340 0.000 2.473 275 K HA 0.171 4.491 4.320 0.001 0.000 0.277 275 K C 0.876 177.596 176.600 0.200 0.000 1.052 275 K CA 1.125 57.539 56.287 0.213 0.000 1.114 275 K CB -0.453 32.142 32.500 0.158 0.000 0.869 275 K HN 0.965 nan 8.250 nan 0.000 0.481 276 G N 2.643 111.539 108.800 0.160 0.000 2.316 276 G HA2 -0.230 3.731 3.960 0.001 0.000 0.203 276 G HA3 -0.230 3.731 3.960 0.001 0.000 0.203 276 G C 0.351 175.338 174.900 0.144 0.000 0.999 276 G CA 0.178 45.362 45.100 0.140 0.000 0.649 276 G HN 0.636 nan 8.290 nan 0.000 0.489 277 D N 0.518 121.025 120.400 0.178 0.000 2.462 277 D HA -0.222 4.419 4.640 0.001 0.000 0.172 277 D C 1.358 177.760 176.300 0.169 0.000 1.218 277 D CA 2.065 56.163 54.000 0.163 0.000 1.131 277 D CB -1.316 39.550 40.800 0.110 0.000 1.155 277 D HN 0.730 nan 8.370 nan 0.000 0.443 278 D N 0.800 121.297 120.400 0.162 0.000 2.312 278 D HA -0.083 4.557 4.640 0.001 0.000 0.211 278 D C 1.073 177.476 176.300 0.171 0.000 0.964 278 D CA 0.550 54.634 54.000 0.141 0.000 0.877 278 D CB 0.209 41.074 40.800 0.108 0.000 0.924 278 D HN 0.372 nan 8.370 nan 0.000 0.515 279 I N 0.830 121.555 120.570 0.259 0.000 2.498 279 I HA 0.258 4.428 4.170 0.001 0.000 0.290 279 I C -0.265 176.194 176.117 0.571 0.000 1.032 279 I CA -0.582 60.903 61.300 0.307 0.000 1.073 279 I CB 2.254 40.403 38.000 0.249 0.000 1.251 279 I HN -0.095 nan 8.210 nan 0.000 0.426 280 T N 2.910 117.747 114.554 0.472 0.000 2.883 280 T HA 0.625 4.975 4.350 0.001 0.000 0.296 280 T C -0.737 174.254 174.700 0.484 0.000 1.117 280 T CA -0.888 61.493 62.100 0.469 0.000 1.006 280 T CB 2.235 71.265 68.868 0.269 0.000 1.191 280 T HN 0.554 nan 8.240 nan 0.000 0.508 281 M N 2.366 122.205 119.600 0.397 0.000 2.336 281 M HA 0.684 5.164 4.480 0.001 0.000 0.342 281 M C -1.826 174.667 176.300 0.321 0.000 1.128 281 M CA -0.751 54.805 55.300 0.427 0.000 1.016 281 M CB 1.305 34.218 32.600 0.522 0.000 1.665 281 M HN 0.596 nan 8.290 nan 0.000 0.445 282 V N 6.432 126.555 119.914 0.349 0.000 2.487 282 V HA 0.474 4.594 4.120 0.001 0.000 0.298 282 V C -0.518 175.797 176.094 0.368 0.000 1.028 282 V CA -0.700 61.781 62.300 0.302 0.000 0.860 282 V CB 1.701 33.679 31.823 0.258 0.000 0.991 282 V HN 0.814 nan 8.190 nan 0.000 0.427 283 L N 5.850 127.227 121.223 0.256 0.000 2.317 283 L HA 0.641 4.981 4.340 0.001 0.000 0.281 283 L C -0.647 176.345 176.870 0.203 0.000 1.024 283 L CA -0.451 54.545 54.840 0.259 0.000 0.810 283 L CB 1.821 43.924 42.059 0.074 0.000 1.240 283 L HN 0.464 nan 8.230 nan 0.000 0.427 284 I N 4.396 125.130 120.570 0.273 0.000 2.418 284 I HA 0.377 4.547 4.170 0.001 0.000 0.287 284 I C -0.893 175.304 176.117 0.133 0.000 1.008 284 I CA -0.431 60.962 61.300 0.155 0.000 1.104 284 I CB 2.254 40.418 38.000 0.272 0.000 1.264 284 I HN 0.403 nan 8.210 nan 0.000 0.438 285 L N 9.057 130.285 121.223 0.009 0.000 2.325 285 L HA 0.560 4.901 4.340 0.001 0.000 0.281 285 L C -2.246 174.598 176.870 -0.043 0.000 1.004 285 L CA -1.428 53.425 54.840 0.021 0.000 0.823 285 L CB 2.208 44.255 42.059 -0.021 0.000 1.236 285 L HN 0.313 nan 8.230 nan 0.000 0.415 286 P HA 0.171 nan 4.420 nan 0.000 0.276 286 P C -1.420 175.848 177.300 -0.053 0.000 1.252 286 P CA -0.743 62.331 63.100 -0.042 0.000 0.802 286 P CB 0.666 32.362 31.700 -0.007 0.000 1.035 287 K N 1.221 121.587 120.400 -0.057 0.000 2.319 287 K HA 0.166 4.487 4.320 0.001 0.000 0.265 287 K C -1.980 174.585 176.600 -0.057 0.000 1.000 287 K CA -1.176 55.079 56.287 -0.053 0.000 0.943 287 K CB -0.767 31.707 32.500 -0.044 0.000 0.950 287 K HN 0.108 nan 8.250 nan 0.000 0.485 288 P HA -0.297 nan 4.420 nan 0.000 0.221 288 P C 0.326 177.576 177.300 -0.082 0.000 1.160 288 P CA 1.807 64.850 63.100 -0.095 0.000 0.933 288 P CB -0.031 31.626 31.700 -0.072 0.000 0.793 289 E N -0.227 119.945 120.200 -0.047 0.000 2.301 289 E HA 0.046 4.397 4.350 0.001 0.000 0.195 289 E C 0.136 176.721 176.600 -0.027 0.000 1.171 289 E CA 0.275 56.656 56.400 -0.032 0.000 1.142 289 E CB -0.398 29.294 29.700 -0.014 0.000 1.218 289 E HN 0.248 nan 8.360 nan 0.000 0.448 290 K N 0.469 120.849 120.400 -0.034 0.000 2.468 290 K HA 0.227 4.547 4.320 0.001 0.000 0.252 290 K C -1.065 175.521 176.600 -0.023 0.000 0.932 290 K CA -0.591 55.684 56.287 -0.020 0.000 0.794 290 K CB 2.155 34.648 32.500 -0.012 0.000 1.241 290 K HN 0.013 nan 8.250 nan 0.000 0.428 291 S N 3.306 118.998 115.700 -0.013 0.000 2.565 291 S HA 0.076 4.547 4.470 0.001 0.000 0.276 291 S C 1.141 175.747 174.600 0.009 0.000 1.326 291 S CA -0.630 57.564 58.200 -0.011 0.000 1.045 291 S CB 0.721 63.916 63.200 -0.009 0.000 0.918 291 S HN 0.650 nan 8.310 nan 0.000 0.505 292 L N 6.185 127.416 121.223 0.013 0.000 2.042 292 L HA 0.034 4.375 4.340 0.001 0.000 0.210 292 L C 2.471 179.375 176.870 0.057 0.000 1.076 292 L CA 2.631 57.498 54.840 0.044 0.000 0.749 292 L CB -1.471 40.614 42.059 0.045 0.000 0.893 292 L HN 0.885 nan 8.230 nan 0.000 0.432 293 A N -0.534 122.306 122.820 0.033 0.000 1.948 293 A HA -0.334 3.987 4.320 0.001 0.000 0.220 293 A C 2.481 180.083 177.584 0.029 0.000 1.177 293 A CA 2.270 54.322 52.037 0.025 0.000 0.636 293 A CB -0.702 18.297 19.000 -0.003 0.000 0.815 293 A HN 0.565 nan 8.150 nan 0.000 0.449 294 K N -0.583 119.831 120.400 0.025 0.000 2.155 294 K HA -0.022 4.299 4.320 0.001 0.000 0.203 294 K C 1.681 178.316 176.600 0.059 0.000 1.052 294 K CA 1.250 57.551 56.287 0.024 0.000 0.948 294 K CB -0.150 32.358 32.500 0.013 0.000 0.728 294 K HN 0.241 nan 8.250 nan 0.000 0.448 295 V N 1.700 121.667 119.914 0.088 0.000 2.453 295 V HA -0.188 3.932 4.120 0.001 0.000 0.247 295 V C 1.850 178.045 176.094 0.169 0.000 1.048 295 V CA 1.773 64.163 62.300 0.150 0.000 1.049 295 V CB -0.345 31.576 31.823 0.163 0.000 0.672 295 V HN 0.375 nan 8.190 nan 0.000 0.457 296 E N 0.186 120.479 120.200 0.154 0.000 2.051 296 E HA -0.230 4.121 4.350 0.001 0.000 0.192 296 E C 2.255 178.935 176.600 0.133 0.000 0.991 296 E CA 1.203 57.724 56.400 0.202 0.000 0.799 296 E CB -0.184 29.654 29.700 0.230 0.000 0.748 296 E HN 0.551 nan 8.360 nan 0.000 0.449 297 K N 0.686 121.127 120.400 0.068 0.000 2.211 297 K HA -0.134 4.186 4.320 0.001 0.000 0.203 297 K C 1.817 178.425 176.600 0.013 0.000 1.050 297 K CA 0.978 57.277 56.287 0.019 0.000 0.945 297 K CB 0.024 32.514 32.500 -0.016 0.000 0.732 297 K HN 0.166 nan 8.250 nan 0.000 0.451 298 E N 0.572 120.793 120.200 0.035 0.000 2.385 298 E HA -0.022 4.329 4.350 0.001 0.000 0.194 298 E C -0.050 176.545 176.600 -0.009 0.000 1.013 298 E CA -0.298 56.112 56.400 0.016 0.000 0.866 298 E CB 0.202 29.929 29.700 0.046 0.000 0.832 298 E HN 0.021 nan 8.360 nan 0.000 0.500 299 L N 2.335 123.572 121.223 0.022 0.000 2.640 299 L HA -0.037 4.304 4.340 0.001 0.000 0.280 299 L C 0.070 176.895 176.870 -0.074 0.000 1.229 299 L CA 1.035 55.860 54.840 -0.024 0.000 0.919 299 L CB 0.152 42.258 42.059 0.079 0.000 1.168 299 L HN 0.008 nan 8.230 nan 0.000 0.496 300 T N 1.879 116.335 114.554 -0.163 0.000 2.900 300 T HA 0.536 4.886 4.350 0.001 0.000 0.303 300 T C -2.186 172.396 174.700 -0.195 0.000 1.142 300 T CA -1.426 60.585 62.100 -0.147 0.000 1.007 300 T CB 1.723 70.506 68.868 -0.142 0.000 1.156 300 T HN 0.299 nan 8.240 nan 0.000 0.490 301 P HA -0.106 nan 4.420 nan 0.000 0.216 301 P C 1.082 178.262 177.300 -0.200 0.000 1.153 301 P CA 1.312 64.313 63.100 -0.165 0.000 0.858 301 P CB 0.100 31.723 31.700 -0.128 0.000 0.789 302 E N -0.620 119.471 120.200 -0.182 0.000 2.031 302 E HA -0.130 4.220 4.350 0.001 0.000 0.193 302 E C 2.079 178.516 176.600 -0.271 0.000 0.994 302 E CA 1.026 57.320 56.400 -0.177 0.000 0.800 302 E CB -1.559 28.061 29.700 -0.133 0.000 0.752 302 E HN -0.002 nan 8.360 nan 0.000 0.447 303 V N 1.403 121.096 119.914 -0.368 0.000 2.252 303 V HA -0.290 3.831 4.120 0.001 0.000 0.249 303 V C 2.325 177.850 176.094 -0.947 0.000 1.056 303 V CA 1.871 63.785 62.300 -0.644 0.000 1.022 303 V CB -0.624 30.782 31.823 -0.694 0.000 0.641 303 V HN 0.299 nan 8.190 nan 0.000 0.445 304 L N -0.351 120.417 121.223 -0.760 0.000 2.013 304 L HA -0.316 4.025 4.340 0.001 0.000 0.212 304 L C 2.710 179.383 176.870 -0.329 0.000 1.073 304 L CA 2.449 56.936 54.840 -0.589 0.000 0.753 304 L CB -0.361 41.441 42.059 -0.428 0.000 0.890 304 L HN 0.433 nan 8.230 nan 0.000 0.432 305 Q N 0.346 119.991 119.800 -0.258 0.000 2.061 305 Q HA -0.259 4.081 4.340 0.001 0.000 0.204 305 Q C 1.951 177.904 176.000 -0.079 0.000 0.984 305 Q CA 2.171 57.898 55.803 -0.128 0.000 0.846 305 Q CB -0.150 28.533 28.738 -0.093 0.000 0.902 305 Q HN 0.521 nan 8.270 nan 0.000 0.421 306 E N -1.112 119.008 120.200 -0.133 0.000 2.085 306 E HA -0.205 4.145 4.350 0.001 0.000 0.194 306 E C 1.716 178.372 176.600 0.093 0.000 0.994 306 E CA 1.084 57.458 56.400 -0.044 0.000 0.801 306 E CB -0.290 29.362 29.700 -0.081 0.000 0.743 306 E HN 0.469 nan 8.360 nan 0.000 0.453 307 W N 1.116 122.382 121.300 -0.056 0.000 2.332 307 W HA -0.138 4.523 4.660 0.002 0.000 0.321 307 W C 2.230 178.712 176.519 -0.061 0.000 1.219 307 W CA 0.620 57.926 57.345 -0.066 0.000 1.277 307 W CB -1.312 28.099 29.460 -0.082 0.000 1.161 307 W HN 0.092 nan 8.180 nan 0.000 0.476 308 L N -0.134 121.207 121.223 0.197 0.000 2.013 308 L HA -0.196 4.145 4.340 0.001 0.000 0.212 308 L C 0.437 177.353 176.870 0.077 0.000 1.073 308 L CA 1.229 56.128 54.840 0.098 0.000 0.753 308 L CB -1.318 40.768 42.059 0.046 0.000 0.890 308 L HN -0.223 nan 8.230 nan 0.000 0.432 309 D N 2.126 122.565 120.400 0.065 0.000 2.383 309 D HA 0.019 4.660 4.640 0.001 0.000 0.275 309 D C 0.051 176.385 176.300 0.056 0.000 1.344 309 D CA 0.743 54.774 54.000 0.052 0.000 0.984 309 D CB 0.033 40.856 40.800 0.039 0.000 1.104 309 D HN 0.121 nan 8.370 nan 0.000 0.524 310 E N 1.147 121.376 120.200 0.049 0.000 2.346 310 E HA -0.177 4.173 4.350 0.001 0.000 0.200 310 E C -0.774 175.849 176.600 0.039 0.000 1.331 310 E CA 0.269 56.695 56.400 0.042 0.000 0.668 310 E CB -1.283 28.439 29.700 0.036 0.000 1.157 310 E HN 0.517 nan 8.360 nan 0.000 0.393 311 L N 0.645 121.893 121.223 0.042 0.000 2.309 311 L HA 0.322 4.662 4.340 0.001 0.000 0.282 311 L C 0.844 177.744 176.870 0.051 0.000 1.036 311 L CA -0.656 54.202 54.840 0.031 0.000 0.806 311 L CB 1.410 43.495 42.059 0.043 0.000 1.220 311 L HN -0.045 nan 8.230 nan 0.000 0.429 312 E N 0.194 120.430 120.200 0.060 0.000 2.242 312 E HA 0.148 4.499 4.350 0.001 0.000 0.275 312 E C -0.515 176.140 176.600 0.092 0.000 1.002 312 E CA -0.701 55.739 56.400 0.066 0.000 0.841 312 E CB 2.267 32.002 29.700 0.058 0.000 1.109 312 E HN 0.538 nan 8.360 nan 0.000 0.394 313 E N 2.011 122.252 120.200 0.067 0.000 2.289 313 E HA 0.468 4.818 4.350 0.001 0.000 0.278 313 E C -0.184 176.449 176.600 0.056 0.000 1.032 313 E CA -0.138 56.299 56.400 0.062 0.000 0.854 313 E CB 0.324 30.037 29.700 0.022 0.000 1.046 313 E HN 0.543 nan 8.360 nan 0.000 0.409 314 M N 2.248 121.887 119.600 0.066 0.000 2.603 314 M HA 0.534 5.014 4.480 0.001 0.000 0.275 314 M C -0.705 175.612 176.300 0.028 0.000 1.226 314 M CA -1.175 54.150 55.300 0.042 0.000 0.870 314 M CB 1.880 34.515 32.600 0.059 0.000 1.716 314 M HN 0.503 nan 8.290 nan 0.000 0.482 315 M N 4.389 123.992 119.600 0.004 0.000 2.184 315 M HA 0.658 5.138 4.480 0.001 0.000 0.351 315 M C -1.352 174.940 176.300 -0.013 0.000 1.395 315 M CA -0.304 54.996 55.300 0.000 0.000 1.117 315 M CB 0.022 32.614 32.600 -0.012 0.000 1.708 315 M HN 0.711 nan 8.290 nan 0.000 0.468 316 L N 2.893 124.120 121.223 0.007 0.000 2.671 316 L HA 0.740 5.081 4.340 0.001 0.000 0.259 316 L C -1.708 175.126 176.870 -0.060 0.000 1.021 316 L CA -1.224 53.570 54.840 -0.076 0.000 0.871 316 L CB 1.704 43.632 42.059 -0.219 0.000 1.472 316 L HN 0.235 nan 8.230 nan 0.000 0.410 317 V N 2.321 122.172 119.914 -0.105 0.000 2.348 317 V HA 0.324 4.445 4.120 0.001 0.000 0.270 317 V C 0.223 176.220 176.094 -0.162 0.000 1.037 317 V CA -0.330 61.921 62.300 -0.082 0.000 0.872 317 V CB 1.353 33.168 31.823 -0.015 0.000 1.002 317 V HN 0.489 nan 8.190 nan 0.000 0.464 318 V N 6.447 126.212 119.914 -0.249 0.000 2.432 318 V HA 0.430 4.551 4.120 0.001 0.000 0.275 318 V C -0.057 175.897 176.094 -0.233 0.000 1.043 318 V CA -0.413 61.685 62.300 -0.337 0.000 0.925 318 V CB 1.198 32.627 31.823 -0.656 0.000 0.985 318 V HN 0.989 nan 8.190 nan 0.000 0.466 319 H N 6.127 124.942 119.070 -0.426 0.000 2.924 319 H HA 0.680 5.236 4.556 0.001 0.000 0.333 319 H C -1.212 173.869 175.328 -0.413 0.000 0.979 319 H CA -1.044 54.635 56.048 -0.615 0.000 1.326 319 H CB 1.641 30.639 29.762 -1.272 0.000 1.600 319 H HN 0.728 nan 8.280 nan 0.000 0.520 320 M N 3.314 122.609 119.600 -0.508 0.000 2.531 320 M HA 0.627 5.108 4.480 0.001 0.000 0.286 320 M C -3.327 172.820 176.300 -0.254 0.000 1.232 320 M CA -2.038 52.975 55.300 -0.479 0.000 0.877 320 M CB 3.705 36.059 32.600 -0.410 0.000 1.726 320 M HN 0.176 nan 8.290 nan 0.000 0.463 321 P HA 0.221 nan 4.420 nan 0.000 0.274 321 P C -1.509 175.919 177.300 0.214 0.000 1.231 321 P CA -0.189 62.951 63.100 0.067 0.000 0.790 321 P CB 0.521 32.256 31.700 0.058 0.000 0.951 322 R N 2.278 122.867 120.500 0.149 0.000 2.346 322 R HA 0.770 5.110 4.340 0.001 0.000 0.311 322 R C -0.389 176.026 176.300 0.192 0.000 0.983 322 R CA -0.580 55.564 56.100 0.074 0.000 0.880 322 R CB 0.550 30.844 30.300 -0.009 0.000 1.100 322 R HN 0.517 nan 8.270 nan 0.000 0.453 323 F N -0.957 118.954 119.950 -0.065 0.000 2.926 323 F HA 0.585 5.112 4.527 0.000 0.000 0.321 323 F C -1.834 173.906 175.800 -0.100 0.000 1.168 323 F CA -1.588 56.360 58.000 -0.087 0.000 0.890 323 F CB 1.161 40.093 39.000 -0.112 0.000 1.357 323 F HN 0.723 nan 8.300 nan 0.000 0.468 324 R N 1.727 122.208 120.500 -0.032 0.000 2.651 324 R HA 0.899 5.240 4.340 0.001 0.000 0.278 324 R C -1.948 174.374 176.300 0.037 0.000 1.010 324 R CA -0.852 55.162 56.100 -0.144 0.000 0.896 324 R CB 2.605 32.827 30.300 -0.130 0.000 1.211 324 R HN 1.148 nan 8.270 nan 0.000 0.456 325 I N -1.579 118.966 120.570 -0.042 0.000 2.722 325 I HA 0.581 4.752 4.170 0.001 0.000 0.295 325 I C -1.273 174.830 176.117 -0.023 0.000 1.161 325 I CA -0.991 60.310 61.300 0.003 0.000 1.032 325 I CB 2.813 40.842 38.000 0.047 0.000 1.244 325 I HN 0.728 nan 8.210 nan 0.000 0.421 326 E N 3.238 123.464 120.200 0.042 0.000 2.224 326 E HA 0.494 4.845 4.350 0.001 0.000 0.265 326 E C -1.735 174.940 176.600 0.126 0.000 0.878 326 E CA -0.629 55.820 56.400 0.081 0.000 0.759 326 E CB 2.703 32.434 29.700 0.051 0.000 1.164 326 E HN 0.621 nan 8.360 nan 0.000 0.414 327 D N 1.067 121.577 120.400 0.184 0.000 2.645 327 D HA 0.681 5.322 4.640 0.001 0.000 0.228 327 D C -1.147 175.229 176.300 0.127 0.000 1.148 327 D CA -0.477 53.645 54.000 0.203 0.000 0.860 327 D CB 2.009 42.999 40.800 0.317 0.000 1.548 327 D HN 0.510 nan 8.370 nan 0.000 0.460 328 G N 0.596 109.463 108.800 0.112 0.000 2.742 328 G HA2 0.679 4.639 3.960 0.001 0.000 0.296 328 G HA3 0.679 4.639 3.960 0.001 0.000 0.296 328 G C -1.624 173.312 174.900 0.060 0.000 1.436 328 G CA -0.826 44.232 45.100 -0.069 0.000 0.928 328 G HN 0.496 nan 8.290 nan 0.000 0.520 329 F N -1.066 118.935 119.950 0.085 0.000 2.769 329 F HA 0.776 5.303 4.527 0.000 0.000 0.313 329 F C -0.489 175.363 175.800 0.088 0.000 1.146 329 F CA -1.474 56.569 58.000 0.070 0.000 0.934 329 F CB 1.241 40.276 39.000 0.058 0.000 1.283 329 F HN 0.582 nan 8.300 nan 0.000 0.443 330 S N 1.240 117.143 115.700 0.339 0.000 2.523 330 S HA 0.468 4.938 4.470 0.001 0.000 0.275 330 S C 0.632 175.450 174.600 0.364 0.000 1.281 330 S CA -0.623 57.728 58.200 0.252 0.000 1.050 330 S CB 0.550 63.845 63.200 0.158 0.000 0.937 330 S HN 0.747 nan 8.310 nan 0.000 0.492 331 L N 4.667 126.096 121.223 0.343 0.000 2.341 331 L HA 0.077 4.418 4.340 0.001 0.000 0.214 331 L C 2.494 179.520 176.870 0.260 0.000 1.115 331 L CA 0.550 55.618 54.840 0.380 0.000 0.820 331 L CB -0.312 41.978 42.059 0.384 0.000 0.944 331 L HN 0.711 nan 8.230 nan 0.000 0.452 332 K N 1.056 121.585 120.400 0.215 0.000 1.987 332 K HA -0.280 4.040 4.320 0.001 0.000 0.216 332 K C 2.278 178.945 176.600 0.112 0.000 1.051 332 K CA 2.416 58.800 56.287 0.162 0.000 0.942 332 K CB -0.123 32.456 32.500 0.130 0.000 0.722 332 K HN 0.287 nan 8.250 nan 0.000 0.444 333 E N 0.979 121.229 120.200 0.084 0.000 2.065 333 E HA -0.319 4.032 4.350 0.001 0.000 0.201 333 E C 1.931 178.525 176.600 -0.011 0.000 1.016 333 E CA 2.029 58.448 56.400 0.032 0.000 0.818 333 E CB -0.911 28.793 29.700 0.006 0.000 0.749 333 E HN 0.461 nan 8.360 nan 0.000 0.453 334 Q N -0.136 119.631 119.800 -0.055 0.000 2.002 334 Q HA -0.011 4.330 4.340 0.001 0.000 0.204 334 Q C 2.428 178.424 176.000 -0.005 0.000 0.988 334 Q CA 1.740 57.405 55.803 -0.230 0.000 0.843 334 Q CB -0.436 28.164 28.738 -0.231 0.000 0.908 334 Q HN 0.643 nan 8.270 nan 0.000 0.420 335 L N -0.075 121.235 121.223 0.144 0.000 2.083 335 L HA -0.240 4.100 4.340 0.001 0.000 0.209 335 L C 2.473 179.402 176.870 0.098 0.000 1.083 335 L CA 1.276 56.195 54.840 0.132 0.000 0.752 335 L CB -0.462 41.627 42.059 0.051 0.000 0.899 335 L HN 0.332 nan 8.230 nan 0.000 0.433 336 Q N -0.198 119.657 119.800 0.092 0.000 2.197 336 Q HA -0.220 4.120 4.340 0.001 0.000 0.207 336 Q C 0.535 176.576 176.000 0.070 0.000 0.984 336 Q CA 1.454 57.303 55.803 0.076 0.000 0.869 336 Q CB 0.088 28.866 28.738 0.067 0.000 0.906 336 Q HN 0.515 nan 8.270 nan 0.000 0.426 337 D N -1.030 119.435 120.400 0.109 0.000 2.501 337 D HA 0.085 4.725 4.640 0.001 0.000 0.226 337 D C -0.206 176.125 176.300 0.052 0.000 1.198 337 D CA 0.058 54.111 54.000 0.088 0.000 0.830 337 D CB 0.368 41.232 40.800 0.105 0.000 1.014 337 D HN 0.202 nan 8.370 nan 0.000 0.496 338 M N 1.091 120.742 119.600 0.084 0.000 3.442 338 M HA 0.207 4.687 4.480 0.001 0.000 0.232 338 M C 0.898 177.178 176.300 -0.034 0.000 1.508 338 M CA 0.241 55.557 55.300 0.026 0.000 1.647 338 M CB 0.086 32.734 32.600 0.080 0.000 1.126 338 M HN -0.044 nan 8.290 nan 0.000 0.557 339 G N 1.330 110.085 108.800 -0.075 0.000 4.165 339 G HA2 0.282 4.243 3.960 0.001 0.000 0.287 339 G HA3 0.282 4.243 3.960 0.001 0.000 0.287 339 G C 0.018 174.892 174.900 -0.044 0.000 1.019 339 G CA -0.309 44.763 45.100 -0.045 0.000 0.806 339 G HN 0.340 nan 8.290 nan 0.000 0.447 340 L N 1.227 122.395 121.223 -0.091 0.000 2.516 340 L HA 0.233 4.574 4.340 0.001 0.000 0.288 340 L C 0.299 177.180 176.870 0.017 0.000 1.246 340 L CA 0.379 55.189 54.840 -0.051 0.000 0.844 340 L CB 1.092 43.078 42.059 -0.123 0.000 1.106 340 L HN -0.058 nan 8.230 nan 0.000 0.509 341 V N 2.033 122.011 119.914 0.105 0.000 2.525 341 V HA 0.238 4.359 4.120 0.001 0.000 0.299 341 V C 0.347 176.439 176.094 -0.003 0.000 1.034 341 V CA -0.776 61.552 62.300 0.047 0.000 0.863 341 V CB 1.483 33.337 31.823 0.052 0.000 0.999 341 V HN 0.688 nan 8.190 nan 0.000 0.423 342 D N 2.271 122.642 120.400 -0.048 0.000 2.220 342 D HA -0.220 4.421 4.640 0.001 0.000 0.198 342 D C 1.906 178.151 176.300 -0.092 0.000 1.001 342 D CA 1.324 55.291 54.000 -0.055 0.000 0.875 342 D CB 0.032 40.797 40.800 -0.059 0.000 0.921 342 D HN 0.511 nan 8.370 nan 0.000 0.454 343 L N -0.473 120.615 121.223 -0.225 0.000 2.189 343 L HA -0.170 4.170 4.340 0.001 0.000 0.214 343 L C 1.331 177.993 176.870 -0.346 0.000 1.097 343 L CA 1.554 56.170 54.840 -0.373 0.000 0.764 343 L CB -0.356 41.311 42.059 -0.653 0.000 0.900 343 L HN -0.057 nan 8.230 nan 0.000 0.436 344 F N -1.775 118.196 119.950 0.035 0.000 2.727 344 F HA 0.311 4.839 4.527 0.001 0.000 0.302 344 F C 1.257 177.104 175.800 0.079 0.000 1.097 344 F CA -0.051 57.996 58.000 0.079 0.000 1.330 344 F CB -0.461 38.543 39.000 0.006 0.000 1.084 344 F HN 0.002 nan 8.300 nan 0.000 0.578 345 S N 1.195 116.973 115.700 0.129 0.000 2.422 345 S HA 0.313 4.784 4.470 0.001 0.000 0.308 345 S C -1.751 172.770 174.600 -0.132 0.000 1.097 345 S CA -1.617 56.573 58.200 -0.018 0.000 1.099 345 S CB 1.143 64.326 63.200 -0.028 0.000 0.976 345 S HN -0.152 nan 8.310 nan 0.000 0.471 346 P HA -0.114 nan 4.420 nan 0.000 0.216 346 P C 0.845 178.017 177.300 -0.213 0.000 1.153 346 P CA 1.234 63.974 63.100 -0.600 0.000 0.858 346 P CB 0.229 31.457 31.700 -0.787 0.000 0.789 347 E N -0.299 119.808 120.200 -0.155 0.000 2.016 347 E HA -0.108 4.243 4.350 0.001 0.000 0.190 347 E C 1.775 178.346 176.600 -0.050 0.000 0.985 347 E CA 1.327 57.680 56.400 -0.078 0.000 0.802 347 E CB -0.669 28.995 29.700 -0.059 0.000 0.762 347 E HN 0.267 nan 8.360 nan 0.000 0.448 348 K N 0.552 120.922 120.400 -0.050 0.000 2.365 348 K HA 0.138 4.458 4.320 0.001 0.000 0.197 348 K C 0.821 177.402 176.600 -0.032 0.000 1.042 348 K CA 0.123 56.386 56.287 -0.040 0.000 0.987 348 K CB 0.214 32.688 32.500 -0.043 0.000 0.779 348 K HN -0.069 nan 8.250 nan 0.000 0.484 349 S N 1.576 117.264 115.700 -0.020 0.000 2.549 349 S HA 0.040 4.511 4.470 0.001 0.000 0.286 349 S C -0.320 174.276 174.600 -0.007 0.000 1.314 349 S CA -0.105 58.090 58.200 -0.009 0.000 1.062 349 S CB 0.374 63.603 63.200 0.049 0.000 0.865 349 S HN -0.016 nan 8.310 nan 0.000 0.498 350 K N 4.431 124.817 120.400 -0.023 0.000 2.527 350 K HA 0.470 4.790 4.320 0.001 0.000 0.240 350 K C -0.855 175.732 176.600 -0.022 0.000 0.989 350 K CA 0.044 56.320 56.287 -0.019 0.000 0.985 350 K CB 0.775 33.260 32.500 -0.026 0.000 1.221 350 K HN 0.609 nan 8.250 nan 0.000 0.458 351 L N 4.901 126.117 121.223 -0.012 0.000 2.913 351 L HA 0.281 4.621 4.340 0.001 0.000 0.283 351 L C -1.430 175.435 176.870 -0.010 0.000 1.336 351 L CA -0.965 53.865 54.840 -0.017 0.000 0.815 351 L CB 1.127 43.173 42.059 -0.021 0.000 1.188 351 L HN 0.406 nan 8.230 nan 0.000 0.551 352 P HA -0.104 nan 4.420 nan 0.000 0.231 352 P C 1.220 178.516 177.300 -0.006 0.000 1.158 352 P CA 0.984 64.082 63.100 -0.004 0.000 0.763 352 P CB 0.352 32.049 31.700 -0.005 0.000 0.805 353 G N -0.640 108.155 108.800 -0.009 0.000 2.939 353 G HA2 0.058 4.018 3.960 0.001 0.000 0.210 353 G HA3 0.058 4.018 3.960 0.001 0.000 0.210 353 G C 1.439 176.333 174.900 -0.009 0.000 1.160 353 G CA -0.117 44.977 45.100 -0.009 0.000 0.770 353 G HN 0.209 nan 8.290 nan 0.000 0.543 354 I N 0.502 121.066 120.570 -0.011 0.000 2.141 354 I HA -0.011 4.160 4.170 0.001 0.000 0.236 354 I C 0.836 176.949 176.117 -0.007 0.000 1.071 354 I CA 0.561 61.854 61.300 -0.011 0.000 1.345 354 I CB -0.312 37.679 38.000 -0.015 0.000 1.066 354 I HN -0.163 nan 8.210 nan 0.000 0.406 355 V N 1.580 121.491 119.914 -0.005 0.000 2.644 355 V HA 0.433 4.554 4.120 0.001 0.000 0.295 355 V C 0.454 176.548 176.094 -0.001 0.000 1.053 355 V CA -1.110 61.189 62.300 -0.002 0.000 0.987 355 V CB 1.254 33.077 31.823 0.001 0.000 1.006 355 V HN 0.315 nan 8.190 nan 0.000 0.472 356 A N 3.292 126.111 122.820 -0.000 0.000 2.511 356 A HA 0.532 4.852 4.320 0.001 0.000 0.242 356 A C 1.162 178.747 177.584 0.002 0.000 1.069 356 A CA 0.921 52.958 52.037 0.000 0.000 0.763 356 A CB -0.400 18.600 19.000 0.001 0.000 1.001 356 A HN 1.975 nan 8.150 nan 0.000 0.498 357 E N 0.314 120.515 120.200 0.002 0.000 4.380 357 E HA 0.034 4.384 4.350 0.001 0.000 0.319 357 E C 1.867 178.469 176.600 0.003 0.000 0.642 357 E CA 2.025 58.427 56.400 0.003 0.000 1.849 357 E CB -2.278 27.425 29.700 0.004 0.000 1.830 357 E HN 3.021 nan 8.360 nan 0.000 0.473 358 G N -0.106 108.696 108.800 0.003 0.000 2.141 358 G HA2 -0.077 3.884 3.960 0.001 0.000 0.164 358 G HA3 -0.077 3.884 3.960 0.001 0.000 0.164 358 G C 0.162 175.066 174.900 0.007 0.000 1.009 358 G CA 0.676 45.778 45.100 0.004 0.000 0.677 358 G HN 1.028 nan 8.290 nan 0.000 0.508 359 R N -0.031 120.475 120.500 0.009 0.000 2.489 359 R HA -0.009 4.332 4.340 0.001 0.000 0.287 359 R C 0.818 177.128 176.300 0.018 0.000 0.902 359 R CA 0.773 56.882 56.100 0.015 0.000 1.136 359 R CB 0.315 30.625 30.300 0.018 0.000 0.872 359 R HN 0.213 nan 8.270 nan 0.000 0.421 360 D N 1.391 121.804 120.400 0.021 0.000 2.277 360 D HA -0.104 4.537 4.640 0.001 0.000 0.209 360 D C 0.937 177.260 176.300 0.038 0.000 0.970 360 D CA 0.819 54.832 54.000 0.022 0.000 0.874 360 D CB 0.117 40.926 40.800 0.016 0.000 0.982 360 D HN 0.601 nan 8.370 nan 0.000 0.504 361 D N 0.371 120.800 120.400 0.050 0.000 2.379 361 D HA -0.127 4.513 4.640 0.001 0.000 0.243 361 D C 0.331 176.729 176.300 0.163 0.000 1.088 361 D CA 0.085 54.136 54.000 0.083 0.000 0.925 361 D CB -0.480 40.365 40.800 0.076 0.000 0.888 361 D HN 0.268 nan 8.370 nan 0.000 0.529 362 L N 1.058 122.353 121.223 0.120 0.000 2.305 362 L HA 0.317 4.658 4.340 0.001 0.000 0.281 362 L C -0.296 176.682 176.870 0.181 0.000 1.085 362 L CA -0.877 54.033 54.840 0.117 0.000 0.813 362 L CB 0.454 42.530 42.059 0.028 0.000 1.157 362 L HN 0.078 nan 8.230 nan 0.000 0.436 363 Y N 0.727 121.016 120.300 -0.019 0.000 2.625 363 Y HA 0.592 5.142 4.550 0.000 0.000 0.338 363 Y C -0.995 174.897 175.900 -0.013 0.000 1.123 363 Y CA -1.527 56.555 58.100 -0.030 0.000 1.046 363 Y CB 0.945 39.400 38.460 -0.009 0.000 1.299 363 Y HN 0.070 nan 8.280 nan 0.000 0.464 364 V N 3.264 123.131 119.914 -0.078 0.000 2.389 364 V HA 0.131 4.252 4.120 0.001 0.000 0.264 364 V C 1.017 177.114 176.094 0.005 0.000 1.049 364 V CA 0.698 62.939 62.300 -0.098 0.000 0.932 364 V CB 0.389 32.195 31.823 -0.028 0.000 1.011 364 V HN 1.022 nan 8.190 nan 0.000 0.475 365 S N 2.929 118.475 115.700 -0.257 0.000 2.402 365 S HA -0.020 4.451 4.470 0.001 0.000 0.229 365 S C 0.542 175.171 174.600 0.049 0.000 1.021 365 S CA 0.763 58.933 58.200 -0.050 0.000 0.974 365 S CB 0.131 63.261 63.200 -0.116 0.000 0.800 365 S HN 0.769 nan 8.310 nan 0.000 0.484 366 D N -0.933 119.452 120.400 -0.025 0.000 2.694 366 D HA 0.646 5.286 4.640 0.001 0.000 0.260 366 D C -2.010 174.065 176.300 -0.375 0.000 1.250 366 D CA 0.035 53.901 54.000 -0.223 0.000 0.763 366 D CB 1.579 42.233 40.800 -0.244 0.000 1.311 366 D HN 0.379 nan 8.370 nan 0.000 0.420 367 A N 1.155 123.544 122.820 -0.719 0.000 2.459 367 A HA 0.718 5.038 4.320 0.001 0.000 0.296 367 A C -1.723 175.392 177.584 -0.781 0.000 1.039 367 A CA -0.578 51.148 52.037 -0.519 0.000 0.698 367 A CB 0.687 19.634 19.000 -0.089 0.000 1.261 367 A HN 0.259 nan 8.150 nan 0.000 0.405 368 F N 0.561 120.549 119.950 0.064 0.000 2.546 368 F HA 0.673 5.201 4.527 0.001 0.000 0.320 368 F C 0.109 175.973 175.800 0.107 0.000 1.076 368 F CA -0.441 57.598 58.000 0.064 0.000 0.928 368 F CB 2.194 41.211 39.000 0.028 0.000 1.189 368 F HN 0.768 nan 8.300 nan 0.000 0.465 369 H N 1.201 120.384 119.070 0.188 0.000 2.690 369 H HA 0.700 5.256 4.556 0.001 0.000 0.368 369 H C -1.471 173.925 175.328 0.113 0.000 1.150 369 H CA -0.916 55.203 56.048 0.118 0.000 1.174 369 H CB 1.834 31.640 29.762 0.073 0.000 1.684 369 H HN 0.609 nan 8.280 nan 0.000 0.538 370 K N 2.297 122.383 120.400 -0.524 0.000 2.498 370 K HA 0.827 5.147 4.320 0.001 0.000 0.254 370 K C -1.887 174.506 176.600 -0.345 0.000 0.933 370 K CA -0.450 55.684 56.287 -0.254 0.000 0.806 370 K CB 2.040 34.469 32.500 -0.118 0.000 1.301 370 K HN 0.714 nan 8.250 nan 0.000 0.432 371 A N 2.195 124.964 122.820 -0.085 0.000 2.587 371 A HA 0.833 5.154 4.320 0.001 0.000 0.293 371 A C -2.034 175.640 177.584 0.151 0.000 1.087 371 A CA -0.604 51.448 52.037 0.027 0.000 0.692 371 A CB 1.025 20.090 19.000 0.108 0.000 1.291 371 A HN 0.582 nan 8.150 nan 0.000 0.407 372 F N 0.868 120.813 119.950 -0.009 0.000 2.596 372 F HA 0.741 5.268 4.527 0.001 0.000 0.311 372 F C -1.967 173.837 175.800 0.007 0.000 1.116 372 F CA -1.027 56.971 58.000 -0.003 0.000 0.957 372 F CB 1.961 40.954 39.000 -0.013 0.000 1.250 372 F HN 0.659 nan 8.300 nan 0.000 0.444 373 L N 4.925 125.862 121.223 -0.475 0.000 2.464 373 L HA 0.632 4.972 4.340 0.001 0.000 0.266 373 L C -1.792 174.771 176.870 -0.512 0.000 0.965 373 L CA -0.213 54.453 54.840 -0.290 0.000 0.833 373 L CB 2.098 44.080 42.059 -0.129 0.000 1.296 373 L HN 0.759 nan 8.230 nan 0.000 0.405 374 E N 3.584 123.645 120.200 -0.230 0.000 2.263 374 E HA 0.675 5.025 4.350 0.001 0.000 0.268 374 E C -2.039 174.540 176.600 -0.035 0.000 0.884 374 E CA -0.655 55.651 56.400 -0.157 0.000 0.766 374 E CB 2.073 31.751 29.700 -0.037 0.000 1.196 374 E HN 0.500 nan 8.360 nan 0.000 0.416 375 V N 5.151 125.039 119.914 -0.043 0.000 2.448 375 V HA 0.523 4.644 4.120 0.001 0.000 0.295 375 V C -0.306 175.783 176.094 -0.008 0.000 1.025 375 V CA -0.619 61.672 62.300 -0.015 0.000 0.859 375 V CB 1.380 33.191 31.823 -0.021 0.000 0.988 375 V HN 0.836 nan 8.190 nan 0.000 0.431 376 N N 2.870 121.573 118.700 0.004 0.000 3.387 376 N HA 0.333 5.074 4.740 0.001 0.000 0.322 376 N C 0.397 175.911 175.510 0.007 0.000 1.588 376 N CA -0.819 52.234 53.050 0.006 0.000 0.778 376 N CB 0.900 39.394 38.487 0.012 0.000 1.883 376 N HN 0.218 nan 8.380 nan 0.000 0.628 377 E N -0.277 119.927 120.200 0.007 0.000 2.153 377 E HA -0.095 4.256 4.350 0.001 0.000 0.194 377 E C 0.724 177.329 176.600 0.009 0.000 0.988 377 E CA 1.512 57.916 56.400 0.007 0.000 0.811 377 E CB -0.067 29.637 29.700 0.006 0.000 0.746 377 E HN 0.612 nan 8.360 nan 0.000 0.466 378 E N -0.847 119.360 120.200 0.012 0.000 2.230 378 E HA 0.201 4.551 4.350 0.001 0.000 0.192 378 E C 0.835 177.444 176.600 0.015 0.000 0.987 378 E CA 0.803 57.210 56.400 0.013 0.000 0.841 378 E CB 0.508 30.217 29.700 0.015 0.000 0.783 378 E HN 0.246 nan 8.360 nan 0.000 0.481 379 G N -0.863 107.947 108.800 0.017 0.000 2.455 379 G HA2 0.326 4.287 3.960 0.001 0.000 0.223 379 G HA3 0.326 4.287 3.960 0.001 0.000 0.223 379 G C -1.229 173.685 174.900 0.023 0.000 1.226 379 G CA -0.259 44.852 45.100 0.019 0.000 0.948 379 G HN 0.295 nan 8.290 nan 0.000 0.478 380 S N -1.060 114.658 115.700 0.030 0.000 2.556 380 S HA 0.756 5.226 4.470 0.001 0.000 0.271 380 S C -1.237 173.399 174.600 0.061 0.000 1.135 380 S CA -0.298 57.926 58.200 0.040 0.000 0.858 380 S CB 2.615 65.831 63.200 0.028 0.000 1.114 380 S HN 1.084 nan 8.310 nan 0.000 0.468 381 E N 0.681 120.939 120.200 0.097 0.000 2.246 381 E HA 0.679 5.030 4.350 0.001 0.000 0.266 381 E C -1.149 175.578 176.600 0.212 0.000 0.880 381 E CA -0.998 55.487 56.400 0.142 0.000 0.762 381 E CB 1.695 31.498 29.700 0.172 0.000 1.180 381 E HN 0.992 nan 8.360 nan 0.000 0.416 382 A N 2.787 125.711 122.820 0.173 0.000 2.413 382 A HA 0.973 5.294 4.320 0.001 0.000 0.307 382 A C -1.245 176.440 177.584 0.169 0.000 1.087 382 A CA -0.095 52.065 52.037 0.205 0.000 0.750 382 A CB 1.858 20.930 19.000 0.120 0.000 1.296 382 A HN 0.761 nan 8.150 nan 0.000 0.423 383 A N -0.384 122.550 122.820 0.190 0.000 2.609 383 A HA 1.054 5.375 4.320 0.001 0.000 0.291 383 A C -0.592 177.039 177.584 0.079 0.000 1.096 383 A CA -0.066 52.021 52.037 0.084 0.000 0.684 383 A CB 1.190 20.180 19.000 -0.017 0.000 1.282 383 A HN 2.755 nan 8.150 nan 0.000 0.412 384 A N -0.383 122.451 122.820 0.023 0.000 2.590 384 A HA 0.822 5.142 4.320 0.001 0.000 0.294 384 A C -0.720 176.833 177.584 -0.051 0.000 1.046 384 A CA 0.395 52.414 52.037 -0.030 0.000 0.684 384 A CB 0.724 19.763 19.000 0.064 0.000 1.279 384 A HN 2.233 nan 8.150 nan 0.000 0.415 385 S N -0.455 115.154 115.700 -0.152 0.000 2.564 385 S HA 0.892 5.362 4.470 0.001 0.000 0.274 385 S C -1.011 173.568 174.600 -0.036 0.000 1.124 385 S CA -0.055 58.110 58.200 -0.058 0.000 0.869 385 S CB 1.890 65.064 63.200 -0.043 0.000 1.105 385 S HN 1.212 nan 8.310 nan 0.000 0.472 386 T N 2.495 117.103 114.554 0.090 0.000 2.879 386 T HA 0.754 5.104 4.350 0.001 0.000 0.290 386 T C -0.977 173.798 174.700 0.125 0.000 0.993 386 T CA -0.437 61.769 62.100 0.177 0.000 0.975 386 T CB 1.437 70.442 68.868 0.228 0.000 0.981 386 T HN 0.870 nan 8.240 nan 0.000 0.439 387 A N 2.838 125.751 122.820 0.155 0.000 2.319 387 A HA 0.767 5.087 4.320 0.001 0.000 0.310 387 A C -0.656 177.003 177.584 0.126 0.000 1.152 387 A CA -0.625 51.501 52.037 0.148 0.000 0.783 387 A CB 0.987 20.109 19.000 0.204 0.000 1.184 387 A HN 0.669 nan 8.150 nan 0.000 0.474 388 V N 3.558 123.516 119.914 0.074 0.000 2.347 388 V HA 0.359 4.480 4.120 0.001 0.000 0.280 388 V C -0.304 175.806 176.094 0.028 0.000 1.021 388 V CA -0.432 61.888 62.300 0.033 0.000 0.847 388 V CB 1.485 33.315 31.823 0.012 0.000 0.990 388 V HN 0.628 nan 8.190 nan 0.000 0.444 389 V N 7.032 126.957 119.914 0.019 0.000 2.347 389 V HA 0.475 4.595 4.120 0.001 0.000 0.280 389 V C 0.012 176.062 176.094 -0.075 0.000 1.021 389 V CA -0.330 61.975 62.300 0.009 0.000 0.847 389 V CB 1.366 33.237 31.823 0.079 0.000 0.990 389 V HN 0.643 nan 8.190 nan 0.000 0.444 390 I N 4.271 124.782 120.570 -0.098 0.000 2.392 390 I HA 0.803 4.973 4.170 0.001 0.000 0.295 390 I C 0.398 176.386 176.117 -0.215 0.000 0.985 390 I CA -0.153 61.041 61.300 -0.178 0.000 1.221 390 I CB 1.756 39.687 38.000 -0.115 0.000 1.366 390 I HN 0.731 nan 8.210 nan 0.000 0.467 391 A N 4.147 126.727 122.820 -0.399 0.000 2.552 391 A HA 0.989 5.310 4.320 0.001 0.000 0.288 391 A C -0.544 176.917 177.584 -0.204 0.000 1.193 391 A CA -0.479 51.380 52.037 -0.298 0.000 0.713 391 A CB 1.760 20.583 19.000 -0.294 0.000 1.305 391 A HN 0.777 nan 8.150 nan 0.000 0.424 392 G N -1.663 107.155 108.800 0.031 0.000 2.788 392 G HA2 0.579 4.539 3.960 0.001 0.000 0.293 392 G HA3 0.579 4.539 3.960 0.001 0.000 0.293 392 G C -0.617 174.400 174.900 0.195 0.000 1.392 392 G CA -0.341 44.870 45.100 0.187 0.000 0.810 392 G HN 1.204 nan 8.290 nan 0.000 0.508 393 R N -1.416 119.175 120.500 0.152 0.000 3.532 393 R HA -0.158 4.183 4.340 0.001 0.000 0.284 393 R C 0.437 176.795 176.300 0.096 0.000 1.140 393 R CA 0.706 56.864 56.100 0.097 0.000 0.768 393 R CB -1.954 28.388 30.300 0.071 0.000 1.252 393 R HN 0.622 nan 8.270 nan 0.000 0.454 394 S N 0.446 116.203 115.700 0.095 0.000 2.533 394 S HA 0.347 4.818 4.470 0.001 0.000 0.282 394 S C 0.067 174.664 174.600 -0.005 0.000 1.304 394 S CA -0.490 57.727 58.200 0.029 0.000 1.063 394 S CB 0.546 63.657 63.200 -0.149 0.000 0.881 394 S HN 0.248 nan 8.310 nan 0.000 0.493 395 L N 6.076 127.302 121.223 0.004 0.000 2.287 395 L HA 0.450 4.791 4.340 0.001 0.000 0.287 395 L C -0.065 176.798 176.870 -0.012 0.000 1.022 395 L CA -0.089 54.750 54.840 -0.001 0.000 0.814 395 L CB 1.430 43.495 42.059 0.011 0.000 1.217 395 L HN 0.648 nan 8.230 nan 0.000 0.420 396 N N 5.384 124.074 118.700 -0.018 0.000 2.414 396 N HA 0.283 5.023 4.740 0.001 0.000 0.256 396 N C -2.264 173.240 175.510 -0.011 0.000 1.029 396 N CA -1.227 51.810 53.050 -0.020 0.000 0.948 396 N CB 1.045 39.518 38.487 -0.023 0.000 1.102 396 N HN 0.351 nan 8.380 nan 0.000 0.496 397 P HA -0.008 nan 4.420 nan 0.000 0.263 397 P C -0.453 176.843 177.300 -0.005 0.000 1.175 397 P CA 0.483 63.581 63.100 -0.003 0.000 0.761 397 P CB 0.377 32.075 31.700 -0.002 0.000 0.794 398 N N 1.954 120.652 118.700 -0.003 0.000 2.558 398 N HA 0.206 4.946 4.740 0.001 0.000 0.285 398 N C 0.063 175.571 175.510 -0.002 0.000 1.112 398 N CA -0.535 52.509 53.050 -0.010 0.000 0.857 398 N CB 0.923 39.402 38.487 -0.013 0.000 1.376 398 N HN 0.063 nan 8.380 nan 0.000 0.526 399 R N 1.305 121.803 120.500 -0.002 0.000 2.308 399 R HA 0.332 4.673 4.340 0.001 0.000 0.202 399 R C -0.142 176.174 176.300 0.026 0.000 0.898 399 R CA 0.238 56.350 56.100 0.021 0.000 1.046 399 R CB 0.803 31.123 30.300 0.033 0.000 1.026 399 R HN 0.172 nan 8.270 nan 0.000 0.512 400 V N 1.910 121.789 119.914 -0.057 0.000 2.266 400 V HA 0.116 4.236 4.120 0.001 0.000 0.271 400 V C 0.527 176.459 176.094 -0.269 0.000 1.032 400 V CA -0.234 61.933 62.300 -0.222 0.000 0.806 400 V CB 1.212 32.827 31.823 -0.348 0.000 1.052 400 V HN 0.304 nan 8.190 nan 0.000 0.449 401 T N 0.202 114.682 114.554 -0.123 0.000 3.092 401 T HA 0.302 4.652 4.350 0.001 0.000 0.258 401 T C 0.142 174.821 174.700 -0.036 0.000 1.031 401 T CA -0.173 61.884 62.100 -0.072 0.000 0.925 401 T CB -0.323 68.554 68.868 0.015 0.000 1.036 401 T HN 0.346 nan 8.240 nan 0.000 0.544 402 F N 0.084 119.957 119.950 -0.128 0.000 2.497 402 F HA 0.699 5.227 4.527 0.001 0.000 0.331 402 F C 0.127 175.841 175.800 -0.142 0.000 1.060 402 F CA -2.291 55.626 58.000 -0.137 0.000 0.989 402 F CB 1.141 40.033 39.000 -0.180 0.000 1.245 402 F HN -0.221 nan 8.300 nan 0.000 0.486 403 K N 1.738 122.156 120.400 0.029 0.000 2.228 403 K HA 0.600 4.920 4.320 0.001 0.000 0.284 403 K C -0.922 175.675 176.600 -0.005 0.000 1.088 403 K CA 0.119 56.386 56.287 -0.033 0.000 0.941 403 K CB -0.493 32.016 32.500 0.015 0.000 1.158 403 K HN 0.960 nan 8.250 nan 0.000 0.438 404 A N 3.579 126.324 122.820 -0.126 0.000 2.557 404 A HA 0.364 4.684 4.320 0.001 0.000 0.292 404 A C -1.395 176.176 177.584 -0.020 0.000 1.139 404 A CA -1.075 50.958 52.037 -0.007 0.000 0.665 404 A CB 0.754 19.747 19.000 -0.013 0.000 1.285 404 A HN 0.667 nan 8.150 nan 0.000 0.433 405 N N 1.392 120.151 118.700 0.100 0.000 2.427 405 N HA 0.333 5.074 4.740 0.001 0.000 0.269 405 N C -0.177 175.092 175.510 -0.401 0.000 1.235 405 N CA 0.488 53.546 53.050 0.013 0.000 0.934 405 N CB 0.158 38.768 38.487 0.204 0.000 1.121 405 N HN 0.538 nan 8.380 nan 0.000 0.480 406 R N 1.908 122.197 120.500 -0.352 0.000 2.950 406 R HA 0.577 4.917 4.340 0.001 0.000 0.253 406 R C -2.489 173.789 176.300 -0.038 0.000 1.168 406 R CA -1.691 54.103 56.100 -0.511 0.000 1.014 406 R CB 0.852 30.986 30.300 -0.277 0.000 1.228 406 R HN 0.322 nan 8.270 nan 0.000 0.487 407 P HA 0.092 nan 4.420 nan 0.000 0.271 407 P C -1.184 176.249 177.300 0.221 0.000 1.218 407 P CA 0.211 63.475 63.100 0.272 0.000 0.780 407 P CB 0.397 32.182 31.700 0.141 0.000 0.901 408 F N 0.045 120.027 119.950 0.054 0.000 2.706 408 F HA 0.645 5.172 4.527 0.000 0.000 0.328 408 F C -1.189 174.626 175.800 0.025 0.000 1.123 408 F CA -1.712 56.305 58.000 0.027 0.000 0.978 408 F CB 0.546 39.554 39.000 0.014 0.000 1.404 408 F HN 0.005 nan 8.300 nan 0.000 0.497 409 L N 1.755 123.084 121.223 0.176 0.000 2.343 409 L HA 0.766 5.107 4.340 0.001 0.000 0.275 409 L C -0.872 176.072 176.870 0.122 0.000 1.056 409 L CA -1.280 53.564 54.840 0.007 0.000 0.804 409 L CB 1.813 43.876 42.059 0.006 0.000 1.203 409 L HN 0.502 nan 8.230 nan 0.000 0.440 410 V N 2.511 122.376 119.914 -0.082 0.000 2.483 410 V HA 0.463 4.583 4.120 0.001 0.000 0.297 410 V C -0.892 175.167 176.094 -0.058 0.000 1.027 410 V CA -0.427 61.946 62.300 0.122 0.000 0.855 410 V CB 1.697 33.672 31.823 0.253 0.000 0.995 410 V HN 0.385 nan 8.190 nan 0.000 0.424 411 F N 4.671 124.759 119.950 0.230 0.000 2.540 411 F HA 0.650 5.178 4.527 0.002 0.000 0.317 411 F C 0.007 175.945 175.800 0.230 0.000 1.104 411 F CA -0.655 57.459 58.000 0.192 0.000 0.913 411 F CB 1.960 41.039 39.000 0.131 0.000 1.170 411 F HN 0.216 nan 8.300 nan 0.000 0.450 412 I N 4.577 125.389 120.570 0.403 0.000 2.382 412 I HA 0.440 4.610 4.170 0.001 0.000 0.285 412 I C -0.450 175.792 176.117 0.207 0.000 1.007 412 I CA -0.596 60.877 61.300 0.287 0.000 1.142 412 I CB 1.238 39.345 38.000 0.178 0.000 1.289 412 I HN 0.658 nan 8.210 nan 0.000 0.453 413 R N 4.118 124.729 120.500 0.185 0.000 2.892 413 R HA 0.670 5.010 4.340 0.001 0.000 0.265 413 R C -0.940 175.414 176.300 0.090 0.000 1.025 413 R CA -0.856 55.314 56.100 0.118 0.000 0.982 413 R CB 2.022 32.386 30.300 0.108 0.000 1.185 413 R HN 0.399 nan 8.270 nan 0.000 0.484 414 E N 1.682 121.914 120.200 0.054 0.000 2.092 414 E HA 0.127 4.477 4.350 0.001 0.000 0.271 414 E C 0.627 177.262 176.600 0.059 0.000 0.919 414 E CA -0.775 55.655 56.400 0.050 0.000 0.760 414 E CB 1.620 31.323 29.700 0.004 0.000 1.106 414 E HN 0.602 nan 8.360 nan 0.000 0.408 415 V N 2.757 122.720 119.914 0.081 0.000 2.307 415 V HA 0.032 4.152 4.120 0.001 0.000 0.245 415 V C -0.788 175.349 176.094 0.071 0.000 1.045 415 V CA 1.090 63.436 62.300 0.078 0.000 1.024 415 V CB -1.764 30.113 31.823 0.089 0.000 0.651 415 V HN 0.700 nan 8.190 nan 0.000 0.449 416 P HA -0.026 nan 4.420 nan 0.000 0.226 416 P C 1.301 178.643 177.300 0.069 0.000 1.153 416 P CA 1.230 64.365 63.100 0.060 0.000 0.777 416 P CB -0.038 31.691 31.700 0.048 0.000 0.794 417 L N -0.253 121.005 121.223 0.059 0.000 2.910 417 L HA 0.204 4.545 4.340 0.001 0.000 0.252 417 L C 0.210 177.112 176.870 0.053 0.000 1.195 417 L CA -0.298 54.577 54.840 0.059 0.000 1.003 417 L CB -1.128 40.938 42.059 0.012 0.000 1.328 417 L HN 0.001 nan 8.230 nan 0.000 0.540 418 N N -0.854 117.886 118.700 0.067 0.000 2.745 418 N HA -0.223 4.518 4.740 0.001 0.000 0.271 418 N C -0.421 175.082 175.510 -0.011 0.000 0.960 418 N CA 0.432 53.505 53.050 0.038 0.000 0.833 418 N CB -1.274 37.253 38.487 0.066 0.000 0.919 418 N HN 0.132 nan 8.380 nan 0.000 0.566 419 T N 1.323 115.875 114.554 -0.003 0.000 2.807 419 T HA 0.437 4.787 4.350 0.001 0.000 0.279 419 T C 0.385 175.092 174.700 0.011 0.000 0.993 419 T CA -0.651 61.440 62.100 -0.015 0.000 0.970 419 T CB 1.149 69.999 68.868 -0.029 0.000 0.950 419 T HN 0.253 nan 8.240 nan 0.000 0.441 420 I N 4.689 125.274 120.570 0.025 0.000 2.291 420 I HA 0.245 4.416 4.170 0.001 0.000 0.292 420 I C 1.149 177.284 176.117 0.031 0.000 1.064 420 I CA -0.211 61.134 61.300 0.076 0.000 1.269 420 I CB 0.640 38.717 38.000 0.128 0.000 1.418 420 I HN 0.696 nan 8.210 nan 0.000 0.485 421 I N 5.341 125.910 120.570 -0.001 0.000 2.235 421 I HA -0.013 4.157 4.170 0.001 0.000 0.241 421 I C 0.210 176.081 176.117 -0.410 0.000 1.085 421 I CA 1.215 62.404 61.300 -0.184 0.000 1.378 421 I CB 0.034 37.944 38.000 -0.150 0.000 1.076 421 I HN 0.285 nan 8.210 nan 0.000 0.415 422 F N 0.438 120.384 119.950 -0.007 0.000 2.603 422 F HA 0.639 5.167 4.527 0.001 0.000 0.317 422 F C -0.106 175.656 175.800 -0.063 0.000 1.066 422 F CA -0.904 57.032 58.000 -0.107 0.000 0.941 422 F CB 1.911 40.876 39.000 -0.058 0.000 1.291 422 F HN -0.161 nan 8.300 nan 0.000 0.472 423 M N 0.899 120.479 119.600 -0.034 0.000 2.643 423 M HA 0.920 5.401 4.480 0.001 0.000 0.276 423 M C -1.135 175.081 176.300 -0.139 0.000 1.200 423 M CA -0.428 54.782 55.300 -0.151 0.000 0.863 423 M CB 2.501 34.943 32.600 -0.263 0.000 1.711 423 M HN 0.782 nan 8.290 nan 0.000 0.492 424 G N 0.973 109.689 108.800 -0.139 0.000 2.430 424 G HA2 0.513 4.474 3.960 0.001 0.000 0.300 424 G HA3 0.513 4.474 3.960 0.001 0.000 0.300 424 G C -2.447 172.471 174.900 0.029 0.000 1.330 424 G CA -1.044 44.143 45.100 0.145 0.000 0.813 424 G HN 0.900 nan 8.290 nan 0.000 0.487 425 R N 0.089 120.664 120.500 0.125 0.000 2.439 425 R HA 0.568 4.908 4.340 0.001 0.000 0.310 425 R C -1.261 174.932 176.300 -0.179 0.000 0.955 425 R CA -0.488 55.598 56.100 -0.024 0.000 0.853 425 R CB 1.820 32.175 30.300 0.092 0.000 1.171 425 R HN 0.310 nan 8.270 nan 0.000 0.449 426 V N 5.123 124.734 119.914 -0.505 0.000 2.284 426 V HA 0.233 4.354 4.120 0.001 0.000 0.260 426 V C 0.905 176.685 176.094 -0.522 0.000 1.084 426 V CA 0.112 61.971 62.300 -0.736 0.000 0.894 426 V CB 0.691 31.611 31.823 -1.505 0.000 1.119 426 V HN 0.934 nan 8.190 nan 0.000 0.484 427 A N 4.007 126.665 122.820 -0.270 0.000 2.267 427 A HA 0.276 4.597 4.320 0.001 0.000 0.213 427 A C 0.899 178.448 177.584 -0.058 0.000 1.192 427 A CA 0.275 52.268 52.037 -0.074 0.000 0.851 427 A CB 0.046 19.026 19.000 -0.032 0.000 0.881 427 A HN 0.619 nan 8.150 nan 0.000 0.494 428 N N -0.425 118.095 118.700 -0.300 0.000 2.932 428 N HA 0.151 4.891 4.740 0.001 0.000 0.242 428 N C -2.978 172.238 175.510 -0.490 0.000 1.351 428 N CA -0.770 52.055 53.050 -0.375 0.000 0.785 428 N CB 1.566 39.967 38.487 -0.144 0.000 1.501 428 N HN -0.027 nan 8.380 nan 0.000 0.584 429 P HA 0.215 nan 4.420 nan 0.000 0.257 429 P C 0.279 177.409 177.300 -0.283 0.000 1.281 429 P CA 0.005 62.783 63.100 -0.537 0.000 0.826 429 P CB 0.109 31.386 31.700 -0.706 0.000 1.237 430 c N 0.000 118.425 118.600 -0.292 0.000 2.653 430 c HA 0.000 4.570 4.570 0.001 0.000 0.325 430 c CA 0.000 56.247 56.329 -0.137 0.000 1.963 430 c CB 0.000 42.450 42.510 -0.101 0.000 2.134 430 c HN 0.000 nan 8.230 nan 0.000 0.568