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 1js4_1_A DATA FIRST_RESID 1 DATA SEQUENCE EPAFNYAEAL QKSMFFYEAQ RSGKLPENNR VSWRGDSGLN DGADVGLDLT DATA SEQUENCE GGWYDAGDHV KFGFPMAFTA TMLAWGAIES PEGYIRSGQM PYLKDNLRWV DATA SEQUENCE NDYFIKAHPS PNVLYVQVGD GDADHKWWGP AEVMPMERPS FKVDPScPGS DATA SEQUENCE DVAAETAAAM AASSIVFADD DPAYAATLVQ HAKQLYTFAD TYRGVYSDcV DATA SEQUENCE PAGAFYNSWS GYQDELVWGA YWLYKATGDD SYLAKAEYEY DFLSTEQQTD DATA SEQUENCE LRSYRWTIAW DDKSYGTYVL LAKETGKQKY IDDANRWLDY WTVGVNGQRV DATA SEQUENCE PYSPGGMAVL DTWGALRYAA NTAFVALVYA KVIDDPVRKQ RYHDFAVRQI DATA SEQUENCE NYALGDNPRN SSYVVGFGNN PPRNPHHRTA HGSWTDSIAS PAENRHVLYG DATA SEQUENCE ALVGGPGSPN DAYTDDRQDY VANEVATDYN AGFSSALAML VEEYGGTPLA DATA SEQUENCE DFPPTEEPDG PEIFVEAQIN TPGTTFTEIK AMIRNQSGWP ARMLDKGTFR DATA SEQUENCE YWFTLDEGVD PADITVSSAY NQcATPEDVH HVSGDLYYVE IDcTGEKIFP DATA SEQUENCE GGQSEHRREV QFRIAGGPGW DPSNDWSFQG IGNELAPAPY IVLYDDGVPV DATA SEQUENCE WGTAP 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 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.608 176.600 0.014 0.000 1.382 1 E CA 0.000 56.418 56.400 0.030 0.000 0.976 1 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 2 P HA 0.138 nan 4.420 nan 0.000 0.264 2 P C 0.290 177.454 177.300 -0.227 0.000 1.193 2 P CA 0.238 63.315 63.100 -0.038 0.000 0.763 2 P CB 0.544 32.234 31.700 -0.016 0.000 0.810 3 A N 3.270 125.912 122.820 -0.296 0.000 1.978 3 A HA -0.032 4.287 4.320 -0.001 0.000 0.220 3 A C 0.597 177.618 177.584 -0.939 0.000 1.170 3 A CA 1.086 52.809 52.037 -0.524 0.000 0.636 3 A CB -0.596 18.160 19.000 -0.405 0.000 0.810 3 A HN 0.545 nan 8.150 nan 0.000 0.448 4 F N -2.258 117.439 119.950 -0.423 0.000 2.599 4 F HA 0.376 4.902 4.527 -0.001 0.000 0.311 4 F C -0.034 175.426 175.800 -0.565 0.000 1.076 4 F CA -1.414 56.366 58.000 -0.368 0.000 0.937 4 F CB 1.083 39.937 39.000 -0.243 0.000 1.282 4 F HN -0.081 nan 8.300 nan 0.000 0.460 5 N N 1.743 120.448 118.700 0.009 0.000 2.549 5 N HA 0.020 4.759 4.740 -0.001 0.000 0.267 5 N C 0.498 175.996 175.510 -0.020 0.000 1.182 5 N CA 0.246 53.286 53.050 -0.015 0.000 1.019 5 N CB -0.159 38.394 38.487 0.111 0.000 1.380 5 N HN 0.469 nan 8.380 nan 0.000 0.505 6 Y N 1.612 121.954 120.300 0.070 0.000 2.256 6 Y HA -0.135 4.414 4.550 -0.001 0.000 0.288 6 Y C 2.227 178.055 175.900 -0.120 0.000 1.155 6 Y CA 1.234 59.294 58.100 -0.067 0.000 1.203 6 Y CB -0.642 37.793 38.460 -0.041 0.000 0.980 6 Y HN 0.601 nan 8.280 nan 0.000 0.530 7 A N -0.016 122.853 122.820 0.082 0.000 1.898 7 A HA -0.215 4.105 4.320 -0.001 0.000 0.216 7 A C 2.247 179.810 177.584 -0.034 0.000 1.181 7 A CA 1.681 53.727 52.037 0.014 0.000 0.620 7 A CB -0.642 18.380 19.000 0.037 0.000 0.819 7 A HN 0.513 nan 8.150 nan 0.000 0.442 8 E N -0.037 120.155 120.200 -0.013 0.000 2.072 8 E HA -0.106 4.243 4.350 -0.001 0.000 0.191 8 E C 2.142 178.656 176.600 -0.143 0.000 0.985 8 E CA 0.953 57.329 56.400 -0.039 0.000 0.801 8 E CB -0.242 29.538 29.700 0.134 0.000 0.750 8 E HN 0.512 nan 8.360 nan 0.000 0.452 9 A N 1.198 123.846 122.820 -0.287 0.000 1.902 9 A HA -0.177 4.143 4.320 -0.001 0.000 0.217 9 A C 2.134 179.560 177.584 -0.263 0.000 1.181 9 A CA 1.324 53.036 52.037 -0.542 0.000 0.623 9 A CB -0.647 17.882 19.000 -0.784 0.000 0.818 9 A HN 0.384 nan 8.150 nan 0.000 0.443 10 L N -0.078 121.022 121.223 -0.206 0.000 2.056 10 L HA -0.181 4.158 4.340 -0.001 0.000 0.207 10 L C 2.551 179.405 176.870 -0.025 0.000 1.078 10 L CA 2.633 57.391 54.840 -0.137 0.000 0.749 10 L CB -0.830 41.114 42.059 -0.192 0.000 0.901 10 L HN 0.633 nan 8.230 nan 0.000 0.433 11 Q N -0.508 119.252 119.800 -0.067 0.000 2.096 11 Q HA -0.273 4.066 4.340 -0.001 0.000 0.204 11 Q C 2.082 178.032 176.000 -0.084 0.000 0.982 11 Q CA 2.084 57.847 55.803 -0.066 0.000 0.850 11 Q CB -0.045 28.582 28.738 -0.184 0.000 0.901 11 Q HN 0.541 nan 8.270 nan 0.000 0.422 12 K N -0.344 119.951 120.400 -0.175 0.000 2.167 12 K HA -0.033 4.286 4.320 -0.001 0.000 0.203 12 K C 2.275 179.039 176.600 0.274 0.000 1.052 12 K CA 0.947 57.224 56.287 -0.018 0.000 0.956 12 K CB -0.068 32.396 32.500 -0.060 0.000 0.735 12 K HN 0.065 nan 8.250 nan 0.000 0.451 13 S N 0.683 116.504 115.700 0.200 0.000 2.382 13 S HA -0.110 4.359 4.470 -0.001 0.000 0.228 13 S C 1.937 176.798 174.600 0.436 0.000 1.027 13 S CA 1.025 59.404 58.200 0.299 0.000 0.991 13 S CB -0.014 63.334 63.200 0.245 0.000 0.823 13 S HN 0.134 nan 8.310 nan 0.000 0.469 14 M N 0.106 119.935 119.600 0.382 0.000 2.229 14 M HA 0.014 4.493 4.480 -0.001 0.000 0.264 14 M C 1.891 178.403 176.300 0.353 0.000 1.063 14 M CA 1.104 56.644 55.300 0.399 0.000 1.114 14 M CB -1.460 31.342 32.600 0.336 0.000 1.387 14 M HN 0.517 nan 8.290 nan 0.000 0.420 15 F N 0.642 120.727 119.950 0.225 0.000 2.146 15 F HA -0.243 4.283 4.527 -0.001 0.000 0.298 15 F C 2.243 178.130 175.800 0.144 0.000 1.096 15 F CA 1.192 59.305 58.000 0.188 0.000 1.275 15 F CB -0.456 38.773 39.000 0.381 0.000 1.008 15 F HN 0.068 nan 8.300 nan 0.000 0.480 16 F N 0.274 120.354 119.950 0.218 0.000 2.091 16 F HA -0.292 4.234 4.527 -0.001 0.000 0.299 16 F C 1.900 177.524 175.800 -0.293 0.000 1.103 16 F CA 1.883 59.861 58.000 -0.036 0.000 1.228 16 F CB -1.242 37.699 39.000 -0.099 0.000 0.984 16 F HN 0.034 nan 8.300 nan 0.000 0.477 17 Y N 0.604 120.665 120.300 -0.398 0.000 2.274 17 Y HA -0.191 4.359 4.550 -0.001 0.000 0.290 17 Y C 2.637 178.169 175.900 -0.612 0.000 1.145 17 Y CA 1.844 59.515 58.100 -0.714 0.000 1.203 17 Y CB -0.888 37.275 38.460 -0.494 0.000 0.984 17 Y HN 0.277 nan 8.280 nan 0.000 0.533 18 E N -0.177 119.826 120.200 -0.329 0.000 2.150 18 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 18 E C 2.203 178.444 176.600 -0.598 0.000 0.985 18 E CA 0.800 56.933 56.400 -0.444 0.000 0.814 18 E CB -0.142 29.296 29.700 -0.437 0.000 0.752 18 E HN 0.403 nan 8.360 nan 0.000 0.466 19 A N 0.338 122.743 122.820 -0.691 0.000 2.119 19 A HA -0.084 4.236 4.320 -0.001 0.000 0.217 19 A C 1.822 179.165 177.584 -0.402 0.000 1.153 19 A CA 0.615 52.254 52.037 -0.664 0.000 0.692 19 A CB -0.001 18.636 19.000 -0.605 0.000 0.799 19 A HN 0.174 nan 8.150 nan 0.000 0.458 20 Q N -0.019 119.511 119.800 -0.451 0.000 2.360 20 Q HA 0.100 4.439 4.340 -0.001 0.000 0.202 20 Q C 0.154 176.109 176.000 -0.076 0.000 0.915 20 Q CA 0.093 55.751 55.803 -0.242 0.000 0.943 20 Q CB 0.082 28.501 28.738 -0.532 0.000 1.064 20 Q HN 0.620 nan 8.270 nan 0.000 0.511 21 R N 0.494 120.886 120.500 -0.180 0.000 2.698 21 R HA 0.162 4.501 4.340 -0.001 0.000 0.266 21 R C 0.233 176.426 176.300 -0.178 0.000 1.026 21 R CA 0.344 56.348 56.100 -0.160 0.000 1.102 21 R CB 0.485 30.421 30.300 -0.606 0.000 0.978 21 R HN -0.094 nan 8.270 nan 0.000 0.436 22 S N 0.090 115.695 115.700 -0.158 0.000 2.638 22 S HA 0.782 5.251 4.470 -0.001 0.000 0.302 22 S C -0.194 174.431 174.600 0.042 0.000 1.096 22 S CA 0.309 58.304 58.200 -0.342 0.000 0.953 22 S CB 1.718 64.373 63.200 -0.908 0.000 1.107 22 S HN 0.930 nan 8.310 nan 0.000 0.503 23 G N 2.438 111.254 108.800 0.026 0.000 2.548 23 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.208 23 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.208 23 G C -0.853 174.111 174.900 0.106 0.000 1.308 23 G CA -0.259 44.873 45.100 0.055 0.000 0.924 23 G HN 0.848 nan 8.290 nan 0.000 0.540 24 K N 0.635 121.090 120.400 0.092 0.000 2.310 24 K HA 0.499 4.818 4.320 -0.001 0.000 0.290 24 K C 0.843 177.559 176.600 0.194 0.000 1.077 24 K CA -0.490 55.853 56.287 0.094 0.000 0.922 24 K CB -0.155 32.370 32.500 0.040 0.000 1.057 24 K HN 0.455 nan 8.250 nan 0.000 0.479 25 L N 6.097 127.396 121.223 0.127 0.000 2.439 25 L HA 0.234 4.573 4.340 -0.001 0.000 0.269 25 L C -1.757 175.157 176.870 0.074 0.000 1.179 25 L CA -2.017 52.870 54.840 0.079 0.000 0.828 25 L CB 0.165 42.187 42.059 -0.063 0.000 1.106 25 L HN 0.579 nan 8.230 nan 0.000 0.467 26 P HA 0.085 nan 4.420 nan 0.000 0.274 26 P C 0.356 177.667 177.300 0.018 0.000 1.256 26 P CA -0.507 62.630 63.100 0.061 0.000 0.795 26 P CB 0.615 32.358 31.700 0.073 0.000 1.038 27 E N 0.939 121.153 120.200 0.022 0.000 2.110 27 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 27 E C 1.037 177.643 176.600 0.010 0.000 0.988 27 E CA 1.347 57.756 56.400 0.015 0.000 0.804 27 E CB -0.531 29.180 29.700 0.018 0.000 0.745 27 E HN 0.549 nan 8.360 nan 0.000 0.458 28 N N 1.360 120.068 118.700 0.013 0.000 2.501 28 N HA -0.112 4.627 4.740 -0.001 0.000 0.195 28 N C 0.243 175.750 175.510 -0.005 0.000 1.213 28 N CA -0.005 53.055 53.050 0.018 0.000 0.864 28 N CB -0.607 37.902 38.487 0.038 0.000 0.999 28 N HN -0.102 nan 8.380 nan 0.000 0.454 29 N N 1.480 120.155 118.700 -0.041 0.000 2.315 29 N HA -0.082 4.657 4.740 -0.001 0.000 0.270 29 N C 0.569 176.025 175.510 -0.090 0.000 1.329 29 N CA 0.255 53.244 53.050 -0.102 0.000 0.860 29 N CB 0.495 38.906 38.487 -0.127 0.000 1.095 29 N HN 0.252 nan 8.380 nan 0.000 0.487 30 R N 2.111 122.543 120.500 -0.114 0.000 2.240 30 R HA 0.083 4.422 4.340 -0.001 0.000 0.203 30 R C -0.051 176.210 176.300 -0.066 0.000 1.011 30 R CA 0.379 56.443 56.100 -0.060 0.000 1.007 30 R CB 0.322 30.612 30.300 -0.017 0.000 0.911 30 R HN 0.322 nan 8.270 nan 0.000 0.468 31 V N 2.536 122.281 119.914 -0.280 0.000 2.299 31 V HA 0.002 4.122 4.120 -0.001 0.000 0.255 31 V C 1.368 177.248 176.094 -0.357 0.000 1.100 31 V CA -0.027 62.004 62.300 -0.448 0.000 0.938 31 V CB 0.908 32.157 31.823 -0.956 0.000 1.139 31 V HN 0.265 nan 8.190 nan 0.000 0.490 32 S N 3.822 119.470 115.700 -0.086 0.000 2.440 32 S HA -0.169 4.300 4.470 -0.001 0.000 0.238 32 S C 1.251 175.911 174.600 0.099 0.000 1.010 32 S CA 1.096 59.332 58.200 0.061 0.000 0.972 32 S CB -0.300 63.032 63.200 0.220 0.000 0.774 32 S HN 0.931 nan 8.310 nan 0.000 0.501 33 W N 0.947 122.197 121.300 -0.084 0.000 3.353 33 W HA 0.499 5.159 4.660 -0.001 0.000 0.304 33 W C -0.183 176.164 176.519 -0.288 0.000 1.273 33 W CA -0.918 56.216 57.345 -0.352 0.000 1.773 33 W CB -0.437 28.399 29.460 -1.040 0.000 1.095 33 W HN 0.014 nan 8.180 nan 0.000 0.676 34 R N 1.076 121.369 120.500 -0.345 0.000 2.562 34 R HA 0.633 4.972 4.340 -0.001 0.000 0.298 34 R C 0.143 176.357 176.300 -0.145 0.000 0.961 34 R CA -0.274 55.651 56.100 -0.292 0.000 0.881 34 R CB 1.674 31.668 30.300 -0.510 0.000 1.159 34 R HN 0.105 nan 8.270 nan 0.000 0.450 35 G N 0.458 109.220 108.800 -0.062 0.000 3.015 35 G HA2 0.327 4.286 3.960 -0.001 0.000 0.281 35 G HA3 0.327 4.286 3.960 -0.001 0.000 0.281 35 G C -1.102 173.795 174.900 -0.004 0.000 1.386 35 G CA -0.581 44.506 45.100 -0.022 0.000 0.959 35 G HN 0.343 nan 8.290 nan 0.000 0.522 36 D N 0.520 120.926 120.400 0.011 0.000 2.488 36 D HA 0.406 5.046 4.640 -0.001 0.000 0.238 36 D C 0.608 176.925 176.300 0.028 0.000 1.138 36 D CA 0.799 54.813 54.000 0.024 0.000 0.873 36 D CB 1.217 42.029 40.800 0.020 0.000 1.183 36 D HN 0.567 nan 8.370 nan 0.000 0.458 37 S N -1.245 114.483 115.700 0.047 0.000 2.588 37 S HA 0.593 5.062 4.470 -0.001 0.000 0.269 37 S C 0.567 175.210 174.600 0.072 0.000 1.157 37 S CA -0.478 57.757 58.200 0.057 0.000 0.824 37 S CB 1.608 64.876 63.200 0.113 0.000 1.126 37 S HN 0.763 nan 8.310 nan 0.000 0.464 38 G N 0.433 109.268 108.800 0.058 0.000 2.341 38 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.292 38 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.292 38 G C 0.448 175.349 174.900 0.002 0.000 1.021 38 G CA 0.571 45.700 45.100 0.049 0.000 0.905 38 G HN 0.959 nan 8.290 nan 0.000 0.508 39 L N -1.525 119.690 121.223 -0.015 0.000 2.551 39 L HA 0.050 4.390 4.340 -0.001 0.000 0.228 39 L C 1.889 178.734 176.870 -0.041 0.000 1.153 39 L CA 1.277 56.100 54.840 -0.027 0.000 0.851 39 L CB -0.096 41.947 42.059 -0.026 0.000 0.959 39 L HN 0.348 nan 8.230 nan 0.000 0.451 40 N N -1.314 117.359 118.700 -0.046 0.000 2.234 40 N HA 0.048 4.787 4.740 -0.001 0.000 0.227 40 N C -0.705 174.769 175.510 -0.060 0.000 1.151 40 N CA -0.294 52.722 53.050 -0.057 0.000 0.865 40 N CB 0.484 38.933 38.487 -0.063 0.000 1.066 40 N HN 0.061 nan 8.380 nan 0.000 0.515 41 D N 0.171 120.543 120.400 -0.048 0.000 2.417 41 D HA 0.240 4.879 4.640 -0.001 0.000 0.250 41 D C 1.472 177.725 176.300 -0.078 0.000 1.166 41 D CA 0.967 54.940 54.000 -0.045 0.000 0.881 41 D CB 0.863 41.656 40.800 -0.012 0.000 1.164 41 D HN 0.352 nan 8.370 nan 0.000 0.467 42 G N 1.925 110.659 108.800 -0.110 0.000 2.234 42 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.235 42 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.235 42 G C 1.285 176.090 174.900 -0.159 0.000 0.997 42 G CA 0.636 45.627 45.100 -0.181 0.000 0.623 42 G HN 0.687 nan 8.290 nan 0.000 0.514 43 A N 1.589 124.340 122.820 -0.115 0.000 1.948 43 A HA -0.028 4.292 4.320 -0.001 0.000 0.220 43 A C 2.092 179.620 177.584 -0.094 0.000 1.177 43 A CA 2.451 54.430 52.037 -0.097 0.000 0.636 43 A CB -0.575 18.378 19.000 -0.079 0.000 0.815 43 A HN 0.996 nan 8.150 nan 0.000 0.449 44 D N 0.138 120.478 120.400 -0.100 0.000 2.309 44 D HA -0.109 4.530 4.640 -0.001 0.000 0.212 44 D C 1.198 177.448 176.300 -0.083 0.000 0.968 44 D CA 1.727 55.673 54.000 -0.090 0.000 0.882 44 D CB -0.558 40.180 40.800 -0.103 0.000 0.918 44 D HN 0.666 nan 8.370 nan 0.000 0.503 45 V N -4.645 115.207 119.914 -0.103 0.000 3.159 45 V HA 0.594 4.713 4.120 -0.001 0.000 0.333 45 V C 1.247 177.283 176.094 -0.098 0.000 1.424 45 V CA -0.010 62.241 62.300 -0.081 0.000 1.125 45 V CB -0.132 31.654 31.823 -0.061 0.000 1.075 45 V HN 0.228 nan 8.190 nan 0.000 0.482 46 G N 1.133 109.873 108.800 -0.099 0.000 2.225 46 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.267 46 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.267 46 G C -0.227 174.602 174.900 -0.118 0.000 1.024 46 G CA 1.021 46.065 45.100 -0.092 0.000 0.784 46 G HN 0.632 nan 8.290 nan 0.000 0.507 47 L N -0.731 120.392 121.223 -0.167 0.000 2.333 47 L HA 0.543 4.883 4.340 -0.001 0.000 0.263 47 L C -0.561 176.202 176.870 -0.179 0.000 1.014 47 L CA -1.151 53.571 54.840 -0.198 0.000 0.820 47 L CB 1.878 43.743 42.059 -0.325 0.000 1.352 47 L HN 0.093 nan 8.230 nan 0.000 0.421 48 D N 2.308 122.614 120.400 -0.157 0.000 2.411 48 D HA 0.266 4.906 4.640 -0.001 0.000 0.225 48 D C -0.145 176.071 176.300 -0.140 0.000 1.156 48 D CA 0.049 53.972 54.000 -0.129 0.000 0.874 48 D CB 0.616 41.350 40.800 -0.111 0.000 1.034 48 D HN 0.341 nan 8.370 nan 0.000 0.502 49 L N 3.594 124.745 121.223 -0.119 0.000 3.062 49 L HA 0.168 4.508 4.340 -0.001 0.000 0.255 49 L C 0.777 177.692 176.870 0.074 0.000 1.274 49 L CA -0.373 54.437 54.840 -0.049 0.000 1.047 49 L CB 0.107 42.112 42.059 -0.090 0.000 1.402 49 L HN 0.359 nan 8.230 nan 0.000 0.550 50 T N -2.330 112.216 114.554 -0.012 0.000 2.882 50 T HA 0.714 5.063 4.350 -0.001 0.000 0.287 50 T C 0.622 175.269 174.700 -0.089 0.000 1.014 50 T CA 0.301 62.373 62.100 -0.047 0.000 1.049 50 T CB 2.210 71.034 68.868 -0.072 0.000 1.001 50 T HN 0.433 nan 8.240 nan 0.000 0.525 51 G N -0.191 108.495 108.800 -0.191 0.000 2.447 51 G HA2 0.447 4.406 3.960 -0.001 0.000 0.220 51 G HA3 0.447 4.406 3.960 -0.001 0.000 0.220 51 G C 0.218 174.787 174.900 -0.552 0.000 1.261 51 G CA 0.017 44.889 45.100 -0.381 0.000 1.000 51 G HN 2.629 nan 8.290 nan 0.000 0.515 52 G N -2.336 106.043 108.800 -0.703 0.000 2.693 52 G HA2 0.197 4.156 3.960 -0.001 0.000 0.226 52 G HA3 0.197 4.156 3.960 -0.001 0.000 0.226 52 G C -0.278 174.434 174.900 -0.314 0.000 1.354 52 G CA 0.558 45.126 45.100 -0.886 0.000 0.873 52 G HN 1.830 nan 8.290 nan 0.000 0.562 53 W N -0.993 120.129 121.300 -0.295 0.000 2.761 53 W HA 0.642 5.301 4.660 -0.001 0.000 0.340 53 W C -0.638 175.778 176.519 -0.172 0.000 1.072 53 W CA -1.573 55.658 57.345 -0.190 0.000 1.215 53 W CB 0.983 30.436 29.460 -0.012 0.000 1.420 53 W HN 0.469 nan 8.180 nan 0.000 0.519 54 Y N 1.399 121.831 120.300 0.220 0.000 2.359 54 Y HA -0.029 4.520 4.550 -0.001 0.000 0.330 54 Y C 1.594 177.589 175.900 0.160 0.000 1.143 54 Y CA -0.021 58.163 58.100 0.140 0.000 1.318 54 Y CB 0.330 38.861 38.460 0.118 0.000 1.234 54 Y HN 0.437 nan 8.280 nan 0.000 0.522 55 D N 1.812 122.429 120.400 0.361 0.000 2.088 55 D HA -0.104 4.535 4.640 -0.001 0.000 0.191 55 D C 0.997 177.444 176.300 0.245 0.000 0.992 55 D CA 2.164 56.366 54.000 0.336 0.000 0.831 55 D CB 0.326 41.434 40.800 0.515 0.000 0.973 55 D HN 0.638 nan 8.370 nan 0.000 0.447 56 A N -1.529 121.410 122.820 0.199 0.000 3.141 56 A HA 0.596 4.915 4.320 -0.001 0.000 0.187 56 A C 1.459 179.080 177.584 0.061 0.000 1.089 56 A CA 0.145 52.264 52.037 0.137 0.000 1.284 56 A CB -0.254 18.801 19.000 0.091 0.000 1.762 56 A HN 0.169 nan 8.150 nan 0.000 0.626 57 G N 0.567 109.372 108.800 0.008 0.000 3.088 57 G HA2 0.339 4.298 3.960 -0.001 0.000 0.212 57 G HA3 0.339 4.298 3.960 -0.001 0.000 0.212 57 G C 0.042 174.617 174.900 -0.542 0.000 1.173 57 G CA 0.978 45.937 45.100 -0.235 0.000 0.779 57 G HN 0.743 nan 8.290 nan 0.000 0.540 58 D N -1.616 118.542 120.400 -0.405 0.000 2.616 58 D HA 0.279 4.918 4.640 -0.001 0.000 0.260 58 D C -0.164 175.733 176.300 -0.672 0.000 1.158 58 D CA -0.972 52.713 54.000 -0.526 0.000 1.085 58 D CB 0.422 41.164 40.800 -0.096 0.000 1.222 58 D HN 0.197 nan 8.370 nan 0.000 0.626 59 H N -1.720 117.256 119.070 -0.158 0.000 2.662 59 H HA 0.407 4.963 4.556 -0.001 0.000 0.268 59 H C -0.489 174.835 175.328 -0.006 0.000 1.152 59 H CA -0.515 55.320 56.048 -0.356 0.000 1.072 59 H CB 0.845 30.281 29.762 -0.544 0.000 1.660 59 H HN -0.046 nan 8.280 nan 0.000 0.584 60 V N 1.367 121.312 119.914 0.051 0.000 2.607 60 V HA 0.105 4.225 4.120 -0.001 0.000 0.289 60 V C 0.336 176.380 176.094 -0.084 0.000 1.053 60 V CA -0.530 61.667 62.300 -0.171 0.000 0.996 60 V CB 1.566 32.967 31.823 -0.704 0.000 0.995 60 V HN 0.312 nan 8.190 nan 0.000 0.476 61 K N 4.287 124.627 120.400 -0.100 0.000 2.296 61 K HA 0.407 4.726 4.320 -0.001 0.000 0.257 61 K C -1.157 175.461 176.600 0.030 0.000 1.088 61 K CA -0.070 56.230 56.287 0.020 0.000 0.980 61 K CB 0.291 32.787 32.500 -0.007 0.000 1.430 61 K HN 0.436 nan 8.250 nan 0.000 0.441 62 F N 1.194 121.256 119.950 0.187 0.000 2.405 62 F HA 0.158 4.685 4.527 -0.001 0.000 0.358 62 F C 1.638 177.556 175.800 0.195 0.000 1.151 62 F CA -0.403 57.699 58.000 0.170 0.000 1.161 62 F CB 0.887 39.901 39.000 0.023 0.000 1.245 62 F HN 0.649 nan 8.300 nan 0.000 0.545 63 G N 3.387 112.460 108.800 0.454 0.000 2.450 63 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.220 63 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.220 63 G C 1.646 176.765 174.900 0.366 0.000 1.130 63 G CA 0.503 45.860 45.100 0.428 0.000 0.760 63 G HN 0.507 nan 8.290 nan 0.000 0.557 64 F N 2.922 122.913 119.950 0.069 0.000 2.031 64 F HA 0.008 4.535 4.527 -0.001 0.000 0.295 64 F C 0.246 176.124 175.800 0.129 0.000 1.133 64 F CA 0.860 58.849 58.000 -0.020 0.000 1.188 64 F CB -1.165 37.742 39.000 -0.154 0.000 0.974 64 F HN 0.123 nan 8.300 nan 0.000 0.473 65 P HA -0.209 nan 4.420 nan 0.000 0.218 65 P C 2.251 179.718 177.300 0.279 0.000 1.149 65 P CA 1.626 64.694 63.100 -0.053 0.000 0.817 65 P CB -0.320 31.007 31.700 -0.621 0.000 0.785 66 M N -0.224 119.579 119.600 0.338 0.000 2.086 66 M HA -0.136 4.343 4.480 -0.001 0.000 0.261 66 M C 2.141 178.814 176.300 0.621 0.000 1.067 66 M CA 2.188 57.805 55.300 0.528 0.000 1.116 66 M CB -0.490 32.419 32.600 0.515 0.000 1.348 66 M HN -0.087 nan 8.290 nan 0.000 0.407 67 A N -0.012 123.135 122.820 0.546 0.000 1.877 67 A HA -0.224 4.095 4.320 -0.001 0.000 0.216 67 A C 1.907 179.735 177.584 0.407 0.000 1.186 67 A CA 1.628 53.904 52.037 0.400 0.000 0.620 67 A CB -1.243 17.810 19.000 0.089 0.000 0.822 67 A HN 0.646 nan 8.150 nan 0.000 0.443 68 F N 1.615 121.727 119.950 0.270 0.000 2.095 68 F HA -0.187 4.339 4.527 -0.001 0.000 0.298 68 F C 2.438 178.448 175.800 0.350 0.000 1.104 68 F CA 2.343 60.515 58.000 0.286 0.000 1.232 68 F CB -0.841 38.262 39.000 0.171 0.000 0.987 68 F HN 0.219 nan 8.300 nan 0.000 0.475 69 T N 0.774 115.527 114.554 0.332 0.000 2.665 69 T HA -0.245 4.104 4.350 -0.001 0.000 0.268 69 T C 2.224 177.051 174.700 0.211 0.000 1.035 69 T CA 1.719 63.986 62.100 0.277 0.000 1.151 69 T CB -0.984 68.195 68.868 0.519 0.000 0.862 69 T HN 0.405 nan 8.240 nan 0.000 0.438 70 A N 1.392 124.417 122.820 0.342 0.000 1.883 70 A HA -0.154 4.166 4.320 -0.001 0.000 0.217 70 A C 2.577 180.212 177.584 0.084 0.000 1.186 70 A CA 2.238 54.428 52.037 0.256 0.000 0.624 70 A CB -1.310 17.890 19.000 0.334 0.000 0.822 70 A HN 0.521 nan 8.150 nan 0.000 0.444 71 T N -0.045 114.534 114.554 0.042 0.000 2.746 71 T HA -0.140 4.209 4.350 -0.001 0.000 0.267 71 T C 1.949 176.617 174.700 -0.054 0.000 1.039 71 T CA 1.580 63.615 62.100 -0.107 0.000 1.142 71 T CB -0.249 68.638 68.868 0.031 0.000 0.866 71 T HN 0.273 nan 8.240 nan 0.000 0.444 72 M N 0.668 120.239 119.600 -0.049 0.000 2.132 72 M HA 0.086 4.566 4.480 -0.001 0.000 0.263 72 M C 2.315 178.620 176.300 0.007 0.000 1.065 72 M CA 1.234 56.565 55.300 0.052 0.000 1.122 72 M CB -1.171 31.312 32.600 -0.196 0.000 1.365 72 M HN 0.267 nan 8.290 nan 0.000 0.411 73 L N -0.470 120.735 121.223 -0.030 0.000 2.056 73 L HA -0.168 4.171 4.340 -0.001 0.000 0.207 73 L C 2.708 179.553 176.870 -0.041 0.000 1.078 73 L CA 1.180 55.990 54.840 -0.049 0.000 0.749 73 L CB -0.842 41.176 42.059 -0.068 0.000 0.901 73 L HN 0.252 nan 8.230 nan 0.000 0.433 74 A N -0.568 122.227 122.820 -0.041 0.000 1.877 74 A HA -0.273 4.047 4.320 -0.001 0.000 0.216 74 A C 2.037 179.657 177.584 0.060 0.000 1.186 74 A CA 1.481 53.476 52.037 -0.070 0.000 0.620 74 A CB -1.069 17.840 19.000 -0.152 0.000 0.822 74 A HN 0.623 nan 8.150 nan 0.000 0.443 75 W N 0.954 122.181 121.300 -0.122 0.000 2.318 75 W HA -0.158 4.501 4.660 -0.001 0.000 0.313 75 W C 2.227 178.911 176.519 0.276 0.000 1.221 75 W CA 1.728 59.156 57.345 0.138 0.000 1.266 75 W CB -1.080 28.578 29.460 0.330 0.000 1.150 75 W HN 0.259 nan 8.180 nan 0.000 0.496 76 G N -0.054 108.844 108.800 0.163 0.000 2.422 76 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.218 76 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.218 76 G C 1.686 176.725 174.900 0.233 0.000 1.146 76 G CA 1.677 46.791 45.100 0.024 0.000 0.769 76 G HN 0.435 nan 8.290 nan 0.000 0.547 77 A N 0.317 123.241 122.820 0.174 0.000 2.015 77 A HA 0.181 4.500 4.320 -0.001 0.000 0.219 77 A C 2.332 179.995 177.584 0.132 0.000 1.163 77 A CA 0.919 53.007 52.037 0.085 0.000 0.646 77 A CB -0.214 18.653 19.000 -0.222 0.000 0.806 77 A HN 0.395 nan 8.150 nan 0.000 0.448 78 I N -0.815 119.878 120.570 0.205 0.000 2.333 78 I HA -0.115 4.055 4.170 -0.001 0.000 0.246 78 I C 2.339 178.626 176.117 0.283 0.000 1.106 78 I CA 0.804 62.249 61.300 0.242 0.000 1.411 78 I CB -0.204 38.004 38.000 0.346 0.000 1.082 78 I HN 0.230 nan 8.210 nan 0.000 0.420 79 E N 0.095 120.512 120.200 0.361 0.000 2.072 79 E HA -0.102 4.247 4.350 -0.001 0.000 0.191 79 E C 1.110 177.841 176.600 0.217 0.000 0.985 79 E CA 0.912 57.500 56.400 0.314 0.000 0.801 79 E CB -0.021 29.884 29.700 0.342 0.000 0.750 79 E HN 0.170 nan 8.360 nan 0.000 0.452 80 S N 0.850 116.677 115.700 0.211 0.000 2.204 80 S HA 0.202 4.671 4.470 -0.001 0.000 0.147 80 S C -2.064 172.653 174.600 0.195 0.000 1.711 80 S CA -1.301 56.995 58.200 0.160 0.000 1.274 80 S CB 0.745 64.011 63.200 0.109 0.000 1.257 80 S HN -0.133 nan 8.310 nan 0.000 0.404 81 P HA -0.084 nan 4.420 nan 0.000 0.220 81 P C 1.115 178.504 177.300 0.150 0.000 1.148 81 P CA 0.885 64.081 63.100 0.160 0.000 0.803 81 P CB 0.290 32.045 31.700 0.091 0.000 0.782 82 E N 0.201 120.465 120.200 0.106 0.000 2.110 82 E HA -0.092 4.257 4.350 -0.001 0.000 0.193 82 E C 2.359 178.999 176.600 0.067 0.000 0.988 82 E CA 1.448 57.894 56.400 0.077 0.000 0.804 82 E CB -1.243 28.489 29.700 0.054 0.000 0.745 82 E HN 0.291 nan 8.360 nan 0.000 0.458 83 G N -0.196 108.631 108.800 0.045 0.000 2.418 83 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.217 83 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.217 83 G C 1.393 176.256 174.900 -0.062 0.000 1.158 83 G CA 0.653 45.729 45.100 -0.040 0.000 0.771 83 G HN 0.249 nan 8.290 nan 0.000 0.545 84 Y N 0.419 120.731 120.300 0.020 0.000 2.263 84 Y HA 0.121 4.670 4.550 -0.001 0.000 0.292 84 Y C 2.723 178.644 175.900 0.035 0.000 1.130 84 Y CA 0.633 58.748 58.100 0.026 0.000 1.179 84 Y CB -0.081 38.388 38.460 0.014 0.000 0.998 84 Y HN 0.120 nan 8.280 nan 0.000 0.532 85 I N -0.600 120.078 120.570 0.180 0.000 2.202 85 I HA -0.304 3.865 4.170 -0.001 0.000 0.242 85 I C 2.254 178.424 176.117 0.089 0.000 1.091 85 I CA 1.334 62.702 61.300 0.113 0.000 1.368 85 I CB -0.293 37.757 38.000 0.082 0.000 1.058 85 I HN 0.060 nan 8.210 nan 0.000 0.410 86 R N 0.723 121.266 120.500 0.072 0.000 2.096 86 R HA -0.117 4.222 4.340 -0.001 0.000 0.235 86 R C 2.338 178.674 176.300 0.060 0.000 1.127 86 R CA 1.704 57.839 56.100 0.057 0.000 0.968 86 R CB -0.311 30.016 30.300 0.045 0.000 0.861 86 R HN 0.433 nan 8.270 nan 0.000 0.440 87 S N -0.938 114.797 115.700 0.058 0.000 2.603 87 S HA 0.106 4.575 4.470 -0.001 0.000 0.220 87 S C 1.410 176.073 174.600 0.106 0.000 0.967 87 S CA 0.301 58.536 58.200 0.059 0.000 0.920 87 S CB 0.424 63.632 63.200 0.013 0.000 0.773 87 S HN 0.495 nan 8.310 nan 0.000 0.529 88 G N 1.250 110.124 108.800 0.124 0.000 2.179 88 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.257 88 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.257 88 G C 0.624 175.664 174.900 0.233 0.000 1.010 88 G CA 0.437 45.628 45.100 0.151 0.000 0.736 88 G HN 0.506 nan 8.290 nan 0.000 0.513 89 Q N -1.224 118.737 119.800 0.269 0.000 2.282 89 Q HA 0.313 4.653 4.340 -0.001 0.000 0.206 89 Q C 2.264 178.461 176.000 0.328 0.000 0.878 89 Q CA 0.642 56.686 55.803 0.402 0.000 0.944 89 Q CB -0.009 28.974 28.738 0.409 0.000 1.100 89 Q HN 0.596 nan 8.270 nan 0.000 0.509 90 M N 2.667 122.391 119.600 0.207 0.000 2.082 90 M HA -0.107 4.373 4.480 -0.001 0.000 0.258 90 M C -1.072 175.190 176.300 -0.063 0.000 1.069 90 M CA 1.870 57.195 55.300 0.042 0.000 1.102 90 M CB -1.183 31.434 32.600 0.029 0.000 1.336 90 M HN -0.009 nan 8.290 nan 0.000 0.404 91 P HA -0.163 nan 4.420 nan 0.000 0.218 91 P C 0.963 178.105 177.300 -0.262 0.000 1.149 91 P CA 1.633 64.585 63.100 -0.246 0.000 0.817 91 P CB -0.404 31.056 31.700 -0.400 0.000 0.785 92 Y N -0.315 120.034 120.300 0.082 0.000 2.337 92 Y HA -0.029 4.520 4.550 -0.001 0.000 0.293 92 Y C 2.630 178.574 175.900 0.075 0.000 1.123 92 Y CA 0.421 58.581 58.100 0.100 0.000 1.201 92 Y CB -1.468 37.082 38.460 0.149 0.000 1.011 92 Y HN -0.149 nan 8.280 nan 0.000 0.545 93 L N 0.577 121.869 121.223 0.114 0.000 1.994 93 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 93 L C 2.102 178.948 176.870 -0.041 0.000 1.071 93 L CA 1.904 56.709 54.840 -0.058 0.000 0.745 93 L CB -0.454 41.319 42.059 -0.475 0.000 0.892 93 L HN -0.011 nan 8.230 nan 0.000 0.431 94 K N -0.530 119.828 120.400 -0.071 0.000 2.063 94 K HA -0.226 4.093 4.320 -0.001 0.000 0.208 94 K C 1.898 178.640 176.600 0.238 0.000 1.048 94 K CA 1.673 57.971 56.287 0.019 0.000 0.928 94 K CB -0.330 32.164 32.500 -0.011 0.000 0.713 94 K HN 0.406 nan 8.250 nan 0.000 0.442 95 D N 0.772 121.266 120.400 0.156 0.000 2.097 95 D HA -0.142 4.497 4.640 -0.001 0.000 0.195 95 D C 1.632 178.078 176.300 0.244 0.000 0.989 95 D CA 1.162 55.269 54.000 0.178 0.000 0.827 95 D CB -0.045 40.842 40.800 0.144 0.000 0.966 95 D HN 0.078 nan 8.370 nan 0.000 0.456 96 N N -0.068 118.779 118.700 0.246 0.000 2.084 96 N HA -0.107 4.633 4.740 -0.001 0.000 0.190 96 N C 2.043 177.771 175.510 0.363 0.000 1.030 96 N CA 0.568 53.820 53.050 0.337 0.000 0.849 96 N CB -0.406 38.248 38.487 0.277 0.000 1.012 96 N HN 0.299 nan 8.380 nan 0.000 0.423 97 L N 0.701 122.090 121.223 0.276 0.000 2.083 97 L HA -0.079 4.261 4.340 -0.001 0.000 0.209 97 L C 2.615 179.649 176.870 0.273 0.000 1.083 97 L CA 0.848 55.845 54.840 0.261 0.000 0.752 97 L CB -0.253 41.964 42.059 0.264 0.000 0.899 97 L HN 0.171 nan 8.230 nan 0.000 0.433 98 R N -0.341 120.358 120.500 0.331 0.000 2.092 98 R HA -0.228 4.111 4.340 -0.001 0.000 0.231 98 R C 2.339 178.650 176.300 0.018 0.000 1.119 98 R CA 1.420 57.571 56.100 0.085 0.000 0.970 98 R CB -0.340 29.902 30.300 -0.095 0.000 0.864 98 R HN 0.488 nan 8.270 nan 0.000 0.440 99 W N 0.459 121.695 121.300 -0.107 0.000 2.354 99 W HA -0.201 4.458 4.660 -0.001 0.000 0.315 99 W C 1.743 178.012 176.519 -0.417 0.000 1.206 99 W CA 1.634 58.858 57.345 -0.201 0.000 1.290 99 W CB -0.523 28.870 29.460 -0.111 0.000 1.152 99 W HN 0.062 nan 8.180 nan 0.000 0.489 100 V N 1.982 121.623 119.914 -0.456 0.000 2.548 100 V HA -0.255 3.864 4.120 -0.001 0.000 0.249 100 V C 2.070 177.625 176.094 -0.899 0.000 1.055 100 V CA 2.083 63.793 62.300 -0.984 0.000 1.065 100 V CB -0.640 30.260 31.823 -1.538 0.000 0.681 100 V HN 0.155 nan 8.190 nan 0.000 0.462 101 N N 0.082 118.517 118.700 -0.442 0.000 2.270 101 N HA -0.130 4.609 4.740 -0.001 0.000 0.181 101 N C 1.401 176.784 175.510 -0.211 0.000 1.016 101 N CA 1.525 54.442 53.050 -0.221 0.000 0.870 101 N CB -0.200 38.278 38.487 -0.015 0.000 0.979 101 N HN 0.515 nan 8.380 nan 0.000 0.431 102 D N 0.155 120.417 120.400 -0.230 0.000 2.178 102 D HA -0.154 4.486 4.640 -0.001 0.000 0.201 102 D C 1.709 177.842 176.300 -0.278 0.000 0.980 102 D CA 0.676 54.536 54.000 -0.233 0.000 0.842 102 D CB -0.260 40.348 40.800 -0.321 0.000 0.948 102 D HN 0.330 nan 8.370 nan 0.000 0.472 103 Y N 0.562 120.552 120.300 -0.516 0.000 2.163 103 Y HA -0.194 4.355 4.550 -0.001 0.000 0.288 103 Y C 1.915 177.691 175.900 -0.208 0.000 1.136 103 Y CA 1.236 59.068 58.100 -0.447 0.000 1.147 103 Y CB -0.476 37.623 38.460 -0.602 0.000 0.987 103 Y HN -0.188 nan 8.280 nan 0.000 0.509 104 F N 0.311 120.090 119.950 -0.284 0.000 2.161 104 F HA -0.234 4.292 4.527 -0.001 0.000 0.300 104 F C 2.344 177.964 175.800 -0.301 0.000 1.089 104 F CA 1.065 58.886 58.000 -0.298 0.000 1.282 104 F CB -1.199 37.697 39.000 -0.172 0.000 1.010 104 F HN 0.108 nan 8.300 nan 0.000 0.485 105 I N -0.209 120.264 120.570 -0.162 0.000 2.179 105 I HA -0.310 3.859 4.170 -0.001 0.000 0.242 105 I C 2.318 178.361 176.117 -0.123 0.000 1.088 105 I CA 1.368 62.494 61.300 -0.289 0.000 1.357 105 I CB -0.507 37.293 38.000 -0.334 0.000 1.051 105 I HN 0.071 nan 8.210 nan 0.000 0.409 106 K N 0.980 121.270 120.400 -0.184 0.000 2.097 106 K HA -0.110 4.209 4.320 -0.001 0.000 0.206 106 K C 2.015 178.511 176.600 -0.172 0.000 1.049 106 K CA 1.495 57.675 56.287 -0.179 0.000 0.933 106 K CB -0.231 32.132 32.500 -0.228 0.000 0.717 106 K HN 0.297 nan 8.250 nan 0.000 0.442 107 A N 0.475 123.148 122.820 -0.246 0.000 2.235 107 A HA -0.103 4.216 4.320 -0.001 0.000 0.208 107 A C 0.528 178.197 177.584 0.141 0.000 1.172 107 A CA 0.578 52.545 52.037 -0.116 0.000 0.786 107 A CB -0.366 18.462 19.000 -0.287 0.000 0.804 107 A HN 0.321 nan 8.150 nan 0.000 0.479 108 H N 0.330 119.406 119.070 0.009 0.000 2.340 108 H HA 0.211 4.766 4.556 -0.001 0.000 0.233 108 H C -1.867 173.505 175.328 0.073 0.000 1.435 108 H CA -1.448 54.641 56.048 0.068 0.000 1.389 108 H CB 1.058 30.909 29.762 0.147 0.000 1.491 108 H HN 0.249 nan 8.280 nan 0.000 0.518 109 P HA -0.092 nan 4.420 nan 0.000 0.218 109 P C 0.181 177.355 177.300 -0.209 0.000 1.149 109 P CA 0.678 63.721 63.100 -0.096 0.000 0.817 109 P CB 0.549 32.229 31.700 -0.033 0.000 0.785 110 S N -3.035 112.442 115.700 -0.372 0.000 2.579 110 S HA 0.448 4.918 4.470 -0.001 0.000 0.272 110 S C -2.354 171.880 174.600 -0.609 0.000 1.141 110 S CA -1.477 56.491 58.200 -0.386 0.000 0.843 110 S CB 1.821 64.882 63.200 -0.232 0.000 1.122 110 S HN -0.230 nan 8.310 nan 0.000 0.468 111 P HA -0.199 nan 4.420 nan 0.000 0.219 111 P C 0.309 177.537 177.300 -0.120 0.000 1.158 111 P CA 1.660 64.646 63.100 -0.189 0.000 0.895 111 P CB -0.252 31.412 31.700 -0.060 0.000 0.792 112 N N -0.780 117.736 118.700 -0.306 0.000 2.279 112 N HA 0.147 4.886 4.740 -0.001 0.000 0.226 112 N C -0.431 174.515 175.510 -0.940 0.000 1.126 112 N CA 0.055 52.696 53.050 -0.682 0.000 0.846 112 N CB 0.917 39.124 38.487 -0.466 0.000 1.050 112 N HN 0.075 nan 8.380 nan 0.000 0.502 113 V N 1.694 121.272 119.914 -0.560 0.000 2.483 113 V HA 0.424 4.544 4.120 -0.001 0.000 0.297 113 V C -0.773 175.222 176.094 -0.165 0.000 1.027 113 V CA -0.856 61.200 62.300 -0.407 0.000 0.855 113 V CB 2.360 34.017 31.823 -0.277 0.000 0.995 113 V HN -0.020 nan 8.190 nan 0.000 0.424 114 L N 5.801 126.942 121.223 -0.138 0.000 2.404 114 L HA 0.590 4.929 4.340 -0.001 0.000 0.272 114 L C -1.232 175.620 176.870 -0.031 0.000 0.980 114 L CA -0.223 54.648 54.840 0.052 0.000 0.836 114 L CB 1.551 43.695 42.059 0.142 0.000 1.238 114 L HN 0.550 nan 8.230 nan 0.000 0.408 115 Y N 4.430 124.764 120.300 0.057 0.000 2.480 115 Y HA 0.266 4.815 4.550 -0.001 0.000 0.341 115 Y C 1.226 177.214 175.900 0.147 0.000 1.031 115 Y CA 0.462 58.612 58.100 0.084 0.000 1.295 115 Y CB 1.228 39.704 38.460 0.027 0.000 1.162 115 Y HN 0.508 nan 8.280 nan 0.000 0.523 116 V N 0.153 120.239 119.914 0.288 0.000 3.578 116 V HA 0.282 4.402 4.120 -0.001 0.000 0.290 116 V C -0.017 176.321 176.094 0.406 0.000 1.376 116 V CA 0.084 62.580 62.300 0.327 0.000 1.083 116 V CB 0.071 32.071 31.823 0.295 0.000 0.911 116 V HN 0.760 nan 8.190 nan 0.000 0.433 117 Q N -0.027 120.031 119.800 0.429 0.000 2.403 117 Q HA 0.617 4.957 4.340 -0.001 0.000 0.267 117 Q C -2.366 173.859 176.000 0.375 0.000 0.991 117 Q CA -0.412 55.628 55.803 0.395 0.000 0.906 117 Q CB 3.121 32.108 28.738 0.414 0.000 1.422 117 Q HN 0.174 nan 8.270 nan 0.000 0.400 118 V N 2.840 122.888 119.914 0.222 0.000 2.447 118 V HA 0.903 5.023 4.120 -0.001 0.000 0.292 118 V C 0.058 176.194 176.094 0.071 0.000 1.021 118 V CA 0.380 62.764 62.300 0.140 0.000 0.850 118 V CB 1.142 33.039 31.823 0.124 0.000 1.005 118 V HN 1.008 nan 8.190 nan 0.000 0.426 119 G N 3.931 112.784 108.800 0.088 0.000 2.576 119 G HA2 0.088 4.047 3.960 -0.001 0.000 0.686 119 G HA3 0.088 4.047 3.960 -0.001 0.000 0.686 119 G C -1.365 173.595 174.900 0.099 0.000 1.242 119 G CA -0.491 44.636 45.100 0.045 0.000 0.819 119 G HN 0.878 nan 8.290 nan 0.000 0.655 120 D N -0.013 120.425 120.400 0.063 0.000 2.303 120 D HA 0.597 5.236 4.640 -0.001 0.000 0.236 120 D C 1.537 177.764 176.300 -0.122 0.000 1.068 120 D CA 0.861 54.899 54.000 0.063 0.000 0.830 120 D CB 1.065 41.948 40.800 0.137 0.000 1.109 120 D HN 0.774 nan 8.370 nan 0.000 0.496 121 G N 3.162 111.804 108.800 -0.263 0.000 2.513 121 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.219 121 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.219 121 G C 1.083 175.713 174.900 -0.450 0.000 1.160 121 G CA 0.782 45.460 45.100 -0.704 0.000 0.767 121 G HN 0.613 nan 8.290 nan 0.000 0.571 122 D N 0.829 121.231 120.400 0.003 0.000 2.123 122 D HA -0.007 4.632 4.640 -0.001 0.000 0.200 122 D C 2.899 179.249 176.300 0.084 0.000 0.976 122 D CA 1.130 55.188 54.000 0.096 0.000 0.831 122 D CB -0.255 40.631 40.800 0.144 0.000 0.974 122 D HN 0.329 nan 8.370 nan 0.000 0.469 123 A N 1.185 124.042 122.820 0.063 0.000 1.902 123 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 123 A C 1.952 179.605 177.584 0.115 0.000 1.181 123 A CA 2.032 54.120 52.037 0.085 0.000 0.623 123 A CB -0.595 18.442 19.000 0.061 0.000 0.818 123 A HN 0.163 nan 8.150 nan 0.000 0.443 124 D N -1.278 119.161 120.400 0.064 0.000 2.117 124 D HA -0.163 4.476 4.640 -0.001 0.000 0.198 124 D C 1.654 178.141 176.300 0.310 0.000 0.982 124 D CA 1.397 55.483 54.000 0.144 0.000 0.828 124 D CB -0.266 40.559 40.800 0.041 0.000 0.967 124 D HN 0.734 nan 8.370 nan 0.000 0.464 125 H N -0.824 118.333 119.070 0.144 0.000 2.546 125 H HA 0.091 4.647 4.556 -0.001 0.000 0.277 125 H C 1.598 177.064 175.328 0.231 0.000 1.004 125 H CA 0.242 56.398 56.048 0.180 0.000 1.231 125 H CB 0.385 30.254 29.762 0.180 0.000 1.382 125 H HN 0.079 nan 8.280 nan 0.000 0.580 126 K N 0.054 120.662 120.400 0.346 0.000 2.296 126 K HA -0.085 4.234 4.320 -0.001 0.000 0.200 126 K C 0.055 176.880 176.600 0.375 0.000 1.048 126 K CA 0.350 56.819 56.287 0.303 0.000 0.966 126 K CB 0.336 32.980 32.500 0.240 0.000 0.754 126 K HN 0.187 nan 8.250 nan 0.000 0.466 127 W N 0.484 121.902 121.300 0.197 0.000 2.520 127 W HA 0.201 4.860 4.660 -0.001 0.000 0.323 127 W C -1.289 175.372 176.519 0.237 0.000 1.062 127 W CA -1.019 56.445 57.345 0.198 0.000 1.215 127 W CB 0.815 30.368 29.460 0.155 0.000 1.340 127 W HN -0.060 nan 8.180 nan 0.000 0.516 128 W N 8.410 129.360 121.300 -0.582 0.000 2.363 128 W HA 0.554 5.214 4.660 -0.001 0.000 0.314 128 W C -0.677 175.201 176.519 -1.070 0.000 0.994 128 W CA -0.376 56.602 57.345 -0.612 0.000 1.449 128 W CB 0.960 30.225 29.460 -0.325 0.000 1.248 128 W HN 0.709 nan 8.180 nan 0.000 0.409 129 G N 4.953 112.821 108.800 -1.553 0.000 2.550 129 G HA2 0.420 4.379 3.960 -0.001 0.000 0.293 129 G HA3 0.420 4.379 3.960 -0.001 0.000 0.293 129 G C -3.356 171.184 174.900 -0.599 0.000 1.402 129 G CA -0.969 43.383 45.100 -1.247 0.000 0.784 129 G HN -0.055 nan 8.290 nan 0.000 0.482 130 P HA 0.322 nan 4.420 nan 0.000 0.269 130 P C 0.856 178.198 177.300 0.070 0.000 1.209 130 P CA 0.531 63.663 63.100 0.052 0.000 0.776 130 P CB 1.326 33.101 31.700 0.124 0.000 0.876 131 A N 3.059 125.761 122.820 -0.197 0.000 1.940 131 A HA -0.220 4.100 4.320 -0.001 0.000 0.219 131 A C 1.720 179.188 177.584 -0.194 0.000 1.176 131 A CA 1.679 53.372 52.037 -0.573 0.000 0.631 131 A CB -1.103 17.543 19.000 -0.591 0.000 0.814 131 A HN 0.536 nan 8.150 nan 0.000 0.446 132 E N -0.591 119.587 120.200 -0.036 0.000 2.333 132 E HA -0.074 4.275 4.350 -0.001 0.000 0.198 132 E C 1.245 177.835 176.600 -0.016 0.000 1.007 132 E CA 1.265 57.665 56.400 -0.000 0.000 0.845 132 E CB -0.181 29.545 29.700 0.043 0.000 0.766 132 E HN 0.695 nan 8.360 nan 0.000 0.507 133 V N -2.685 117.243 119.914 0.023 0.000 2.991 133 V HA 0.332 4.451 4.120 -0.001 0.000 0.355 133 V C 0.224 176.159 176.094 -0.265 0.000 1.384 133 V CA -0.521 61.736 62.300 -0.072 0.000 1.171 133 V CB -0.519 31.384 31.823 0.133 0.000 1.190 133 V HN 0.010 nan 8.190 nan 0.000 0.540 134 M N 3.715 123.131 119.600 -0.307 0.000 2.290 134 M HA 0.168 4.648 4.480 -0.001 0.000 0.356 134 M C -0.915 175.007 176.300 -0.630 0.000 1.448 134 M CA -0.127 54.808 55.300 -0.609 0.000 0.993 134 M CB 0.887 33.278 32.600 -0.347 0.000 1.934 134 M HN 0.220 nan 8.290 nan 0.000 0.461 135 P HA 0.063 nan 4.420 nan 0.000 0.257 135 P C -0.204 176.888 177.300 -0.347 0.000 1.241 135 P CA 0.476 63.250 63.100 -0.543 0.000 0.816 135 P CB 0.251 31.678 31.700 -0.455 0.000 1.150 136 M N -0.983 118.417 119.600 -0.333 0.000 2.371 136 M HA 0.452 4.931 4.480 -0.001 0.000 0.301 136 M C -0.173 176.049 176.300 -0.129 0.000 1.173 136 M CA -0.267 54.925 55.300 -0.180 0.000 1.020 136 M CB 0.427 32.953 32.600 -0.123 0.000 1.490 136 M HN -0.333 nan 8.290 nan 0.000 0.485 137 E N 1.746 121.898 120.200 -0.080 0.000 2.354 137 E HA 0.316 4.666 4.350 -0.001 0.000 0.269 137 E C -0.732 175.840 176.600 -0.046 0.000 1.036 137 E CA 0.040 56.402 56.400 -0.063 0.000 0.876 137 E CB 0.609 30.282 29.700 -0.045 0.000 1.009 137 E HN 0.534 nan 8.360 nan 0.000 0.416 138 R N 3.141 123.610 120.500 -0.051 0.000 2.352 138 R HA 0.326 4.665 4.340 -0.001 0.000 0.304 138 R C -2.318 173.940 176.300 -0.070 0.000 1.104 138 R CA -1.695 54.384 56.100 -0.036 0.000 0.991 138 R CB 1.189 31.475 30.300 -0.023 0.000 1.140 138 R HN 0.204 nan 8.270 nan 0.000 0.540 139 P HA 0.130 nan 4.420 nan 0.000 0.275 139 P C -0.698 176.336 177.300 -0.444 0.000 1.228 139 P CA -0.224 62.700 63.100 -0.294 0.000 0.786 139 P CB 1.211 32.709 31.700 -0.337 0.000 0.927 140 S N 1.782 117.200 115.700 -0.470 0.000 2.525 140 S HA 0.665 5.134 4.470 -0.001 0.000 0.290 140 S C -0.634 173.699 174.600 -0.444 0.000 1.152 140 S CA -0.215 57.835 58.200 -0.251 0.000 1.072 140 S CB 0.122 63.282 63.200 -0.067 0.000 1.027 140 S HN 0.214 nan 8.310 nan 0.000 0.500 141 F N 1.686 121.791 119.950 0.259 0.000 2.588 141 F HA 0.651 5.177 4.527 -0.001 0.000 0.314 141 F C 0.202 176.033 175.800 0.052 0.000 1.069 141 F CA -0.926 57.162 58.000 0.147 0.000 0.931 141 F CB 1.887 40.959 39.000 0.121 0.000 1.260 141 F HN 0.517 nan 8.300 nan 0.000 0.465 142 K N -0.072 120.349 120.400 0.034 0.000 2.522 142 K HA 0.905 5.224 4.320 -0.001 0.000 0.275 142 K C -1.899 174.655 176.600 -0.077 0.000 1.006 142 K CA -1.069 55.065 56.287 -0.255 0.000 0.890 142 K CB 2.433 34.333 32.500 -1.001 0.000 1.475 142 K HN 0.486 nan 8.250 nan 0.000 0.441 143 V N -1.069 118.810 119.914 -0.058 0.000 2.735 143 V HA 0.754 4.873 4.120 -0.001 0.000 0.310 143 V C -1.492 174.610 176.094 0.013 0.000 1.061 143 V CA -0.461 61.880 62.300 0.068 0.000 0.913 143 V CB 1.262 33.212 31.823 0.212 0.000 1.005 143 V HN 1.088 nan 8.190 nan 0.000 0.428 144 D N 2.308 122.737 120.400 0.049 0.000 2.759 144 D HA 0.530 5.169 4.640 -0.001 0.000 0.321 144 D C -2.710 173.581 176.300 -0.014 0.000 1.267 144 D CA -1.645 52.270 54.000 -0.143 0.000 0.933 144 D CB 0.911 41.568 40.800 -0.237 0.000 1.431 144 D HN 0.238 nan 8.370 nan 0.000 0.504 145 P HA -0.070 nan 4.420 nan 0.000 0.218 145 P C 1.081 178.260 177.300 -0.200 0.000 1.148 145 P CA 1.640 64.415 63.100 -0.542 0.000 0.822 145 P CB 0.116 31.280 31.700 -0.895 0.000 0.784 146 S N -2.230 113.393 115.700 -0.128 0.000 2.423 146 S HA -0.076 4.393 4.470 -0.001 0.000 0.231 146 S C 1.018 175.607 174.600 -0.018 0.000 1.014 146 S CA 0.788 58.954 58.200 -0.056 0.000 0.965 146 S CB -0.581 62.586 63.200 -0.055 0.000 0.785 146 S HN 0.204 nan 8.310 nan 0.000 0.495 147 c N 2.863 121.460 118.600 -0.005 0.000 3.309 147 c HA 0.377 4.947 4.570 -0.001 0.000 0.335 147 c C -2.588 171.536 174.090 0.058 0.000 1.018 147 c CA -1.924 54.416 56.329 0.019 0.000 1.326 147 c CB 0.603 43.120 42.510 0.012 0.000 1.752 147 c HN 0.274 nan 8.230 nan 0.000 0.567 148 P HA 0.497 nan 4.420 nan 0.000 0.289 148 P C -0.134 177.170 177.300 0.007 0.000 1.299 148 P CA 0.206 63.341 63.100 0.058 0.000 0.766 148 P CB 1.061 32.734 31.700 -0.046 0.000 1.226 149 G N -0.975 107.756 108.800 -0.115 0.000 3.919 149 G HA2 0.204 4.163 3.960 -0.001 0.000 0.284 149 G HA3 0.204 4.163 3.960 -0.001 0.000 0.284 149 G C 0.604 175.363 174.900 -0.234 0.000 2.841 149 G CA -0.175 44.888 45.100 -0.060 0.000 0.605 149 G HN 0.275 nan 8.290 nan 0.000 0.337 150 S N 1.152 116.638 115.700 -0.356 0.000 2.370 150 S HA -0.156 4.314 4.470 -0.001 0.000 0.226 150 S C 2.259 176.750 174.600 -0.182 0.000 1.033 150 S CA 2.079 60.024 58.200 -0.425 0.000 1.011 150 S CB -0.064 62.686 63.200 -0.749 0.000 0.852 150 S HN 0.761 nan 8.310 nan 0.000 0.457 151 D N 1.578 121.930 120.400 -0.079 0.000 2.087 151 D HA -0.096 4.543 4.640 -0.001 0.000 0.192 151 D C 1.839 178.052 176.300 -0.146 0.000 0.993 151 D CA 1.044 55.016 54.000 -0.047 0.000 0.828 151 D CB -1.067 39.653 40.800 -0.133 0.000 0.968 151 D HN 0.291 nan 8.370 nan 0.000 0.448 152 V N 0.124 119.766 119.914 -0.453 0.000 2.548 152 V HA -0.029 4.090 4.120 -0.001 0.000 0.249 152 V C 2.258 178.319 176.094 -0.055 0.000 1.055 152 V CA 1.848 63.947 62.300 -0.333 0.000 1.065 152 V CB -0.553 30.873 31.823 -0.662 0.000 0.681 152 V HN 0.344 nan 8.190 nan 0.000 0.462 153 A N -0.155 122.635 122.820 -0.051 0.000 1.897 153 A HA 0.066 4.385 4.320 -0.001 0.000 0.215 153 A C 2.393 180.005 177.584 0.047 0.000 1.181 153 A CA 1.772 53.826 52.037 0.027 0.000 0.620 153 A CB -0.881 18.134 19.000 0.025 0.000 0.821 153 A HN 0.753 nan 8.150 nan 0.000 0.443 154 A N -0.381 122.474 122.820 0.059 0.000 1.969 154 A HA -0.087 4.233 4.320 -0.001 0.000 0.218 154 A C 1.944 179.709 177.584 0.301 0.000 1.169 154 A CA 2.015 54.173 52.037 0.202 0.000 0.635 154 A CB -0.389 18.741 19.000 0.216 0.000 0.810 154 A HN 0.515 nan 8.150 nan 0.000 0.445 155 E N -0.124 120.263 120.200 0.311 0.000 2.072 155 E HA -0.105 4.244 4.350 -0.001 0.000 0.191 155 E C 1.946 178.654 176.600 0.182 0.000 0.985 155 E CA 1.972 58.612 56.400 0.401 0.000 0.801 155 E CB -0.535 29.475 29.700 0.516 0.000 0.750 155 E HN 0.485 nan 8.360 nan 0.000 0.452 156 T N 0.165 114.720 114.554 0.002 0.000 2.867 156 T HA -0.054 4.295 4.350 -0.001 0.000 0.268 156 T C 1.772 176.369 174.700 -0.171 0.000 1.057 156 T CA 1.128 63.057 62.100 -0.285 0.000 1.136 156 T CB -0.372 68.235 68.868 -0.435 0.000 0.874 156 T HN 0.328 nan 8.240 nan 0.000 0.466 157 A N 1.609 124.415 122.820 -0.024 0.000 1.877 157 A HA 0.171 4.490 4.320 -0.001 0.000 0.216 157 A C 2.666 180.248 177.584 -0.004 0.000 1.186 157 A CA 1.750 53.798 52.037 0.018 0.000 0.620 157 A CB -1.143 17.954 19.000 0.161 0.000 0.822 157 A HN 0.495 nan 8.150 nan 0.000 0.443 158 A N -0.192 122.656 122.820 0.047 0.000 1.933 158 A HA 0.156 4.475 4.320 -0.001 0.000 0.218 158 A C 2.488 179.943 177.584 -0.216 0.000 1.175 158 A CA 2.112 54.111 52.037 -0.065 0.000 0.628 158 A CB -0.966 18.020 19.000 -0.023 0.000 0.814 158 A HN 1.038 nan 8.150 nan 0.000 0.444 159 A N -0.457 122.305 122.820 -0.097 0.000 1.877 159 A HA -0.108 4.211 4.320 -0.001 0.000 0.216 159 A C 2.268 179.823 177.584 -0.048 0.000 1.186 159 A CA 1.806 53.805 52.037 -0.065 0.000 0.620 159 A CB -0.526 18.513 19.000 0.066 0.000 0.822 159 A HN 0.531 nan 8.150 nan 0.000 0.443 160 M N -0.657 118.917 119.600 -0.043 0.000 2.175 160 M HA -0.082 4.397 4.480 -0.001 0.000 0.264 160 M C 2.538 178.799 176.300 -0.064 0.000 1.063 160 M CA 1.261 56.541 55.300 -0.033 0.000 1.119 160 M CB -0.426 32.143 32.600 -0.052 0.000 1.377 160 M HN 0.483 nan 8.290 nan 0.000 0.415 161 A N 0.669 123.437 122.820 -0.088 0.000 1.855 161 A HA -0.034 4.285 4.320 -0.001 0.000 0.215 161 A C 2.406 179.938 177.584 -0.087 0.000 1.191 161 A CA 1.922 53.908 52.037 -0.085 0.000 0.613 161 A CB -1.030 17.917 19.000 -0.089 0.000 0.829 161 A HN 0.464 nan 8.150 nan 0.000 0.442 162 A N -0.479 122.218 122.820 -0.205 0.000 1.908 162 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 162 A C 2.429 179.923 177.584 -0.150 0.000 1.181 162 A CA 2.208 54.056 52.037 -0.315 0.000 0.627 162 A CB -0.937 17.546 19.000 -0.861 0.000 0.818 162 A HN 0.466 nan 8.150 nan 0.000 0.445 163 S N 0.361 116.010 115.700 -0.084 0.000 2.399 163 S HA -0.153 4.316 4.470 -0.001 0.000 0.231 163 S C 2.304 176.993 174.600 0.148 0.000 1.022 163 S CA 1.537 59.765 58.200 0.046 0.000 0.983 163 S CB -0.424 62.875 63.200 0.164 0.000 0.803 163 S HN 0.918 nan 8.310 nan 0.000 0.480 164 S N 2.078 117.826 115.700 0.080 0.000 2.382 164 S HA -0.030 4.440 4.470 -0.001 0.000 0.228 164 S C 1.750 176.401 174.600 0.084 0.000 1.027 164 S CA 0.862 59.119 58.200 0.096 0.000 0.991 164 S CB -0.752 62.450 63.200 0.002 0.000 0.823 164 S HN 0.509 nan 8.310 nan 0.000 0.469 165 I N 1.387 121.973 120.570 0.027 0.000 2.361 165 I HA -0.105 4.064 4.170 -0.001 0.000 0.251 165 I C 2.327 178.435 176.117 -0.015 0.000 1.133 165 I CA 0.842 62.150 61.300 0.013 0.000 1.413 165 I CB -0.405 37.612 38.000 0.028 0.000 1.073 165 I HN 0.226 nan 8.210 nan 0.000 0.424 166 V N 0.136 119.999 119.914 -0.084 0.000 2.453 166 V HA -0.208 3.912 4.120 -0.001 0.000 0.247 166 V C 1.925 177.829 176.094 -0.318 0.000 1.048 166 V CA 1.762 63.908 62.300 -0.256 0.000 1.049 166 V CB -0.540 31.010 31.823 -0.456 0.000 0.672 166 V HN 0.270 nan 8.190 nan 0.000 0.457 167 F N 0.255 120.229 119.950 0.040 0.000 2.743 167 F HA 0.318 4.845 4.527 -0.001 0.000 0.297 167 F C 2.244 178.077 175.800 0.055 0.000 1.131 167 F CA 0.366 58.410 58.000 0.072 0.000 1.426 167 F CB -0.902 38.206 39.000 0.179 0.000 1.116 167 F HN 0.043 nan 8.300 nan 0.000 0.583 168 A N 0.681 123.600 122.820 0.166 0.000 1.923 168 A HA -0.309 4.011 4.320 -0.001 0.000 0.222 168 A C 2.054 179.691 177.584 0.088 0.000 1.258 168 A CA 2.694 54.793 52.037 0.103 0.000 0.670 168 A CB -0.897 18.134 19.000 0.052 0.000 0.834 168 A HN 0.328 nan 8.150 nan 0.000 0.470 169 D N -1.134 119.307 120.400 0.068 0.000 2.213 169 D HA -0.025 4.614 4.640 -0.001 0.000 0.205 169 D C 1.331 177.673 176.300 0.069 0.000 0.961 169 D CA 1.181 55.214 54.000 0.055 0.000 0.853 169 D CB -0.385 40.435 40.800 0.034 0.000 0.967 169 D HN 0.433 nan 8.370 nan 0.000 0.496 170 D N 0.431 120.890 120.400 0.099 0.000 2.085 170 D HA -0.078 4.561 4.640 -0.001 0.000 0.199 170 D C 0.431 176.805 176.300 0.123 0.000 0.981 170 D CA 1.068 55.136 54.000 0.114 0.000 0.834 170 D CB 0.191 41.087 40.800 0.161 0.000 0.992 170 D HN -0.033 nan 8.370 nan 0.000 0.457 171 D N -0.972 119.539 120.400 0.185 0.000 2.443 171 D HA 0.129 4.768 4.640 -0.001 0.000 0.281 171 D C -1.959 174.437 176.300 0.161 0.000 1.210 171 D CA -1.818 52.267 54.000 0.141 0.000 0.875 171 D CB 1.361 42.221 40.800 0.100 0.000 1.125 171 D HN -0.044 nan 8.370 nan 0.000 0.503 172 P HA -0.146 nan 4.420 nan 0.000 0.219 172 P C 1.174 178.521 177.300 0.077 0.000 1.146 172 P CA 0.695 63.848 63.100 0.089 0.000 0.808 172 P CB 0.464 32.200 31.700 0.060 0.000 0.779 173 A N -0.666 122.201 122.820 0.078 0.000 1.873 173 A HA -0.207 4.112 4.320 -0.001 0.000 0.215 173 A C 2.377 180.016 177.584 0.092 0.000 1.186 173 A CA 1.291 53.368 52.037 0.067 0.000 0.616 173 A CB -1.852 17.181 19.000 0.056 0.000 0.823 173 A HN 0.114 nan 8.150 nan 0.000 0.442 174 Y N 0.678 120.949 120.300 -0.047 0.000 2.163 174 Y HA -0.042 4.508 4.550 -0.001 0.000 0.288 174 Y C 2.670 178.532 175.900 -0.063 0.000 1.136 174 Y CA 1.018 59.057 58.100 -0.102 0.000 1.147 174 Y CB -0.660 37.668 38.460 -0.220 0.000 0.987 174 Y HN 0.299 nan 8.280 nan 0.000 0.509 175 A N 0.412 123.247 122.820 0.025 0.000 1.940 175 A HA -0.148 4.172 4.320 -0.001 0.000 0.219 175 A C 2.438 179.990 177.584 -0.052 0.000 1.176 175 A CA 2.010 54.039 52.037 -0.014 0.000 0.631 175 A CB -1.461 17.601 19.000 0.105 0.000 0.814 175 A HN 0.586 nan 8.150 nan 0.000 0.446 176 A N -0.962 121.849 122.820 -0.016 0.000 1.902 176 A HA -0.072 4.247 4.320 -0.001 0.000 0.217 176 A C 2.302 179.876 177.584 -0.017 0.000 1.181 176 A CA 2.248 54.281 52.037 -0.007 0.000 0.623 176 A CB -1.251 17.757 19.000 0.013 0.000 0.818 176 A HN 0.442 nan 8.150 nan 0.000 0.443 177 T N 0.778 115.309 114.554 -0.039 0.000 2.746 177 T HA -0.101 4.248 4.350 -0.001 0.000 0.267 177 T C 1.810 176.518 174.700 0.013 0.000 1.039 177 T CA 1.496 63.598 62.100 0.003 0.000 1.142 177 T CB -0.426 68.425 68.868 -0.029 0.000 0.866 177 T HN 0.383 nan 8.240 nan 0.000 0.444 178 L N 0.693 121.808 121.223 -0.180 0.000 2.017 178 L HA -0.085 4.254 4.340 -0.001 0.000 0.208 178 L C 2.716 179.564 176.870 -0.038 0.000 1.073 178 L CA 0.942 55.678 54.840 -0.172 0.000 0.745 178 L CB -0.933 40.953 42.059 -0.287 0.000 0.894 178 L HN 0.139 nan 8.230 nan 0.000 0.432 179 V N -0.169 119.723 119.914 -0.038 0.000 2.287 179 V HA -0.358 3.761 4.120 -0.001 0.000 0.248 179 V C 2.551 178.653 176.094 0.014 0.000 1.053 179 V CA 2.084 64.372 62.300 -0.020 0.000 1.027 179 V CB -0.605 31.207 31.823 -0.019 0.000 0.646 179 V HN 0.535 nan 8.190 nan 0.000 0.447 180 Q N -0.949 118.868 119.800 0.030 0.000 2.077 180 Q HA -0.268 4.071 4.340 -0.001 0.000 0.206 180 Q C 2.344 178.355 176.000 0.018 0.000 0.989 180 Q CA 2.090 57.906 55.803 0.021 0.000 0.853 180 Q CB -0.194 28.545 28.738 0.002 0.000 0.907 180 Q HN 0.723 nan 8.270 nan 0.000 0.418 181 H N -0.922 118.144 119.070 -0.006 0.000 2.357 181 H HA -0.077 4.479 4.556 -0.001 0.000 0.301 181 H C 1.978 177.262 175.328 -0.073 0.000 1.082 181 H CA 1.273 57.312 56.048 -0.013 0.000 1.342 181 H CB 0.026 29.759 29.762 -0.049 0.000 1.389 181 H HN 0.452 nan 8.280 nan 0.000 0.511 182 A N 1.351 124.206 122.820 0.057 0.000 1.933 182 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 182 A C 2.365 179.980 177.584 0.051 0.000 1.175 182 A CA 1.484 53.526 52.037 0.008 0.000 0.628 182 A CB -0.273 18.704 19.000 -0.038 0.000 0.814 182 A HN 0.311 nan 8.150 nan 0.000 0.444 183 K N -0.577 119.859 120.400 0.061 0.000 2.026 183 K HA -0.172 4.147 4.320 -0.001 0.000 0.208 183 K C 2.388 179.102 176.600 0.190 0.000 1.048 183 K CA 1.735 58.103 56.287 0.135 0.000 0.929 183 K CB -0.220 32.361 32.500 0.135 0.000 0.713 183 K HN 0.623 nan 8.250 nan 0.000 0.439 184 Q N 0.636 120.521 119.800 0.142 0.000 2.050 184 Q HA -0.148 4.192 4.340 -0.001 0.000 0.202 184 Q C 2.227 178.362 176.000 0.224 0.000 0.980 184 Q CA 1.342 57.252 55.803 0.178 0.000 0.840 184 Q CB -0.178 28.675 28.738 0.192 0.000 0.898 184 Q HN 0.271 nan 8.270 nan 0.000 0.424 185 L N -0.684 120.619 121.223 0.133 0.000 2.083 185 L HA -0.225 4.114 4.340 -0.001 0.000 0.209 185 L C 2.368 179.364 176.870 0.211 0.000 1.083 185 L CA 1.236 56.164 54.840 0.148 0.000 0.752 185 L CB -0.413 41.615 42.059 -0.051 0.000 0.899 185 L HN 0.266 nan 8.230 nan 0.000 0.433 186 Y N 0.533 120.894 120.300 0.102 0.000 2.200 186 Y HA -0.245 4.304 4.550 -0.001 0.000 0.290 186 Y C 2.673 178.649 175.900 0.128 0.000 1.137 186 Y CA 1.996 60.157 58.100 0.102 0.000 1.163 186 Y CB -0.309 38.204 38.460 0.089 0.000 0.988 186 Y HN 0.063 nan 8.280 nan 0.000 0.518 187 T N 0.827 115.517 114.554 0.227 0.000 2.746 187 T HA -0.217 4.133 4.350 -0.001 0.000 0.267 187 T C 1.545 176.315 174.700 0.116 0.000 1.039 187 T CA 1.549 63.745 62.100 0.160 0.000 1.142 187 T CB -0.751 68.237 68.868 0.201 0.000 0.866 187 T HN 0.438 nan 8.240 nan 0.000 0.444 188 F N 2.639 122.625 119.950 0.060 0.000 2.102 188 F HA 0.001 4.527 4.527 -0.001 0.000 0.298 188 F C 2.431 178.253 175.800 0.037 0.000 1.105 188 F CA 0.876 58.953 58.000 0.128 0.000 1.239 188 F CB -1.061 38.013 39.000 0.124 0.000 0.991 188 F HN 0.147 nan 8.300 nan 0.000 0.474 189 A N -0.295 122.279 122.820 -0.410 0.000 1.902 189 A HA -0.228 4.091 4.320 -0.001 0.000 0.217 189 A C 1.959 179.220 177.584 -0.538 0.000 1.181 189 A CA 2.051 53.726 52.037 -0.603 0.000 0.623 189 A CB -1.253 17.478 19.000 -0.450 0.000 0.818 189 A HN 0.509 nan 8.150 nan 0.000 0.443 190 D N -1.478 118.632 120.400 -0.483 0.000 2.149 190 D HA -0.065 4.574 4.640 -0.001 0.000 0.201 190 D C 1.943 178.072 176.300 -0.286 0.000 0.972 190 D CA 1.770 55.549 54.000 -0.368 0.000 0.835 190 D CB -0.008 40.616 40.800 -0.293 0.000 0.966 190 D HN 0.355 nan 8.370 nan 0.000 0.476 191 T N -1.160 113.221 114.554 -0.289 0.000 2.809 191 T HA -0.068 4.281 4.350 -0.001 0.000 0.260 191 T C 0.061 174.405 174.700 -0.594 0.000 1.039 191 T CA 0.815 62.658 62.100 -0.428 0.000 1.141 191 T CB -0.237 68.328 68.868 -0.505 0.000 0.869 191 T HN 0.110 nan 8.240 nan 0.000 0.437 192 Y N 2.538 122.712 120.300 -0.211 0.000 2.700 192 Y HA 0.413 4.962 4.550 -0.001 0.000 0.333 192 Y C 0.366 176.043 175.900 -0.373 0.000 1.036 192 Y CA -1.183 56.787 58.100 -0.217 0.000 1.287 192 Y CB 0.185 38.584 38.460 -0.101 0.000 1.132 192 Y HN -0.211 nan 8.280 nan 0.000 0.510 193 R N 2.087 122.438 120.500 -0.248 0.000 2.491 193 R HA 0.631 4.971 4.340 -0.001 0.000 0.283 193 R C 0.317 176.450 176.300 -0.278 0.000 1.072 193 R CA -0.303 55.540 56.100 -0.428 0.000 1.048 193 R CB 0.558 30.684 30.300 -0.290 0.000 0.983 193 R HN 0.893 nan 8.270 nan 0.000 0.450 194 G N 0.161 108.733 108.800 -0.381 0.000 2.402 194 G HA2 0.104 4.064 3.960 -0.001 0.000 0.301 194 G HA3 0.104 4.064 3.960 -0.001 0.000 0.301 194 G C -1.524 173.393 174.900 0.027 0.000 1.615 194 G CA -0.885 44.181 45.100 -0.056 0.000 0.889 194 G HN 0.307 nan 8.290 nan 0.000 0.647 195 V N 3.184 123.181 119.914 0.138 0.000 2.455 195 V HA 0.185 4.304 4.120 -0.001 0.000 0.273 195 V C 1.630 177.763 176.094 0.064 0.000 1.045 195 V CA 0.134 62.514 62.300 0.133 0.000 0.976 195 V CB 0.473 32.340 31.823 0.074 0.000 0.993 195 V HN 0.885 nan 8.190 nan 0.000 0.475 196 Y N 4.309 124.548 120.300 -0.101 0.000 2.256 196 Y HA -0.235 4.314 4.550 -0.001 0.000 0.288 196 Y C 2.225 178.086 175.900 -0.064 0.000 1.155 196 Y CA 1.647 59.692 58.100 -0.092 0.000 1.203 196 Y CB -0.861 37.517 38.460 -0.136 0.000 0.980 196 Y HN 0.623 nan 8.280 nan 0.000 0.530 197 S N -0.988 114.259 115.700 -0.754 0.000 2.547 197 S HA -0.119 4.350 4.470 -0.001 0.000 0.235 197 S C 1.097 175.492 174.600 -0.342 0.000 0.980 197 S CA 0.938 58.709 58.200 -0.714 0.000 0.941 197 S CB -0.318 62.523 63.200 -0.598 0.000 0.763 197 S HN 0.500 nan 8.310 nan 0.000 0.532 198 D N 0.425 120.696 120.400 -0.214 0.000 2.348 198 D HA 0.185 4.824 4.640 -0.001 0.000 0.211 198 D C 1.201 177.442 176.300 -0.100 0.000 0.998 198 D CA 0.256 54.179 54.000 -0.128 0.000 0.873 198 D CB 0.119 40.875 40.800 -0.072 0.000 0.925 198 D HN 0.481 nan 8.370 nan 0.000 0.524 199 c N -0.355 118.183 118.600 -0.104 0.000 2.800 199 c HA 0.244 4.814 4.570 -0.001 0.000 0.379 199 c C 0.848 174.900 174.090 -0.063 0.000 1.304 199 c CA -0.443 55.855 56.329 -0.051 0.000 1.960 199 c CB 0.271 42.783 42.510 0.003 0.000 2.599 199 c HN 0.106 nan 8.230 nan 0.000 0.578 200 V N -0.888 118.945 119.914 -0.134 0.000 2.715 200 V HA 0.597 4.716 4.120 -0.001 0.000 0.310 200 V C -2.688 173.241 176.094 -0.276 0.000 1.054 200 V CA -2.035 60.152 62.300 -0.189 0.000 0.928 200 V CB 1.264 33.053 31.823 -0.057 0.000 1.007 200 V HN 0.033 nan 8.190 nan 0.000 0.437 201 P HA 0.291 nan 4.420 nan 0.000 0.231 201 P C 0.276 177.560 177.300 -0.028 0.000 1.756 201 P CA 0.303 63.260 63.100 -0.237 0.000 0.990 201 P CB 0.550 32.062 31.700 -0.314 0.000 1.973 202 A N 0.607 123.416 122.820 -0.018 0.000 2.469 202 A HA 0.381 4.700 4.320 -0.001 0.000 0.245 202 A C 2.121 179.732 177.584 0.044 0.000 1.221 202 A CA 0.578 52.750 52.037 0.226 0.000 0.946 202 A CB -0.496 18.652 19.000 0.247 0.000 1.049 202 A HN 0.333 nan 8.150 nan 0.000 0.529 203 G N 0.528 109.237 108.800 -0.153 0.000 2.469 203 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.220 203 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.220 203 G C 1.500 176.216 174.900 -0.307 0.000 1.136 203 G CA 1.285 46.229 45.100 -0.260 0.000 0.759 203 G HN 0.814 nan 8.290 nan 0.000 0.562 204 A N -0.930 121.629 122.820 -0.435 0.000 2.206 204 A HA 0.446 4.765 4.320 -0.001 0.000 0.211 204 A C 1.713 178.749 177.584 -0.913 0.000 1.158 204 A CA 0.890 52.502 52.037 -0.709 0.000 0.761 204 A CB -0.176 18.247 19.000 -0.961 0.000 0.801 204 A HN 0.342 nan 8.150 nan 0.000 0.473 205 F N -3.841 115.979 119.950 -0.217 0.000 2.495 205 F HA 0.306 4.832 4.527 -0.001 0.000 0.272 205 F C 0.303 175.610 175.800 -0.821 0.000 0.919 205 F CA -0.065 57.637 58.000 -0.495 0.000 1.178 205 F CB 0.337 39.015 39.000 -0.536 0.000 1.030 205 F HN 0.052 nan 8.300 nan 0.000 0.777 206 Y N 1.089 121.296 120.300 -0.155 0.000 2.495 206 Y HA 0.320 4.870 4.550 -0.001 0.000 0.362 206 Y C -0.172 175.838 175.900 0.183 0.000 0.956 206 Y CA -1.486 56.491 58.100 -0.205 0.000 1.127 206 Y CB -0.098 38.110 38.460 -0.420 0.000 1.173 206 Y HN -0.094 nan 8.280 nan 0.000 0.639 207 N N 0.473 119.226 118.700 0.089 0.000 2.479 207 N HA -0.034 4.705 4.740 -0.001 0.000 0.257 207 N C 0.249 175.683 175.510 -0.126 0.000 1.232 207 N CA 0.385 53.253 53.050 -0.303 0.000 0.920 207 N CB 0.913 38.797 38.487 -1.005 0.000 1.105 207 N HN 0.182 nan 8.380 nan 0.000 0.444 208 S N 3.149 118.802 115.700 -0.079 0.000 3.530 208 S HA 0.140 4.609 4.470 -0.001 0.000 0.279 208 S C 0.573 175.145 174.600 -0.046 0.000 1.280 208 S CA -0.582 57.700 58.200 0.136 0.000 0.946 208 S CB -0.710 62.575 63.200 0.141 0.000 1.501 208 S HN 0.624 nan 8.310 nan 0.000 0.498 209 W N 2.324 123.695 121.300 0.117 0.000 2.381 209 W HA -0.102 4.557 4.660 -0.001 0.000 0.301 209 W C 2.676 179.149 176.519 -0.077 0.000 1.205 209 W CA 1.023 58.355 57.345 -0.020 0.000 1.285 209 W CB -0.530 28.870 29.460 -0.100 0.000 1.133 209 W HN 0.745 nan 8.180 nan 0.000 0.521 210 S N -0.510 115.277 115.700 0.145 0.000 2.496 210 S HA 0.458 4.927 4.470 -0.001 0.000 0.224 210 S C 1.224 175.806 174.600 -0.029 0.000 0.996 210 S CA 0.435 58.644 58.200 0.015 0.000 0.927 210 S CB -0.498 62.685 63.200 -0.028 0.000 0.774 210 S HN 0.514 nan 8.310 nan 0.000 0.524 211 G N 1.591 110.392 108.800 0.001 0.000 2.660 211 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.215 211 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.215 211 G C -0.046 174.841 174.900 -0.021 0.000 1.345 211 G CA 0.004 45.050 45.100 -0.089 0.000 0.877 211 G HN 0.925 nan 8.290 nan 0.000 0.549 212 Y N -1.649 118.662 120.300 0.018 0.000 2.449 212 Y HA 0.494 5.043 4.550 -0.001 0.000 0.254 212 Y C 2.396 178.323 175.900 0.045 0.000 1.140 212 Y CA 0.951 59.068 58.100 0.028 0.000 1.272 212 Y CB -0.384 38.066 38.460 -0.018 0.000 1.114 212 Y HN 0.572 nan 8.280 nan 0.000 0.525 213 Q N 2.402 122.141 119.800 -0.101 0.000 2.112 213 Q HA -0.218 4.122 4.340 -0.001 0.000 0.206 213 Q C 1.709 177.777 176.000 0.114 0.000 0.987 213 Q CA 2.550 58.373 55.803 0.034 0.000 0.858 213 Q CB -0.509 28.183 28.738 -0.076 0.000 0.905 213 Q HN 0.755 nan 8.270 nan 0.000 0.420 214 D N -0.982 119.452 120.400 0.056 0.000 2.178 214 D HA -0.187 4.452 4.640 -0.001 0.000 0.202 214 D C 1.185 177.598 176.300 0.189 0.000 0.974 214 D CA 1.244 55.276 54.000 0.052 0.000 0.841 214 D CB -0.229 40.532 40.800 -0.064 0.000 0.953 214 D HN 0.310 nan 8.370 nan 0.000 0.478 215 E N 0.417 120.768 120.200 0.252 0.000 2.208 215 E HA 0.041 4.391 4.350 -0.001 0.000 0.193 215 E C 2.299 179.177 176.600 0.462 0.000 0.988 215 E CA 0.193 56.827 56.400 0.390 0.000 0.828 215 E CB -0.185 29.736 29.700 0.368 0.000 0.763 215 E HN 0.345 nan 8.360 nan 0.000 0.478 216 L N -0.320 121.135 121.223 0.387 0.000 2.109 216 L HA -0.125 4.215 4.340 -0.001 0.000 0.207 216 L C 2.053 179.223 176.870 0.500 0.000 1.086 216 L CA 0.635 55.740 54.840 0.442 0.000 0.760 216 L CB -0.254 42.004 42.059 0.332 0.000 0.910 216 L HN 0.095 nan 8.230 nan 0.000 0.437 217 V N -1.073 119.077 119.914 0.395 0.000 2.323 217 V HA -0.287 3.833 4.120 -0.001 0.000 0.244 217 V C 2.069 178.394 176.094 0.386 0.000 1.041 217 V CA 1.660 64.170 62.300 0.351 0.000 1.025 217 V CB -0.714 31.283 31.823 0.290 0.000 0.656 217 V HN 0.622 nan 8.190 nan 0.000 0.451 218 W N 1.554 122.982 121.300 0.213 0.000 2.355 218 W HA -0.150 4.509 4.660 -0.001 0.000 0.309 218 W C 2.190 178.924 176.519 0.358 0.000 1.206 218 W CA 1.852 59.347 57.345 0.250 0.000 1.284 218 W CB -0.497 29.137 29.460 0.290 0.000 1.145 218 W HN 0.348 nan 8.180 nan 0.000 0.502 219 G N 0.494 109.606 108.800 0.520 0.000 2.418 219 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.217 219 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.217 219 G C 1.684 176.538 174.900 -0.077 0.000 1.158 219 G CA 1.701 46.995 45.100 0.324 0.000 0.771 219 G HN 0.395 nan 8.290 nan 0.000 0.545 220 A N 0.112 122.874 122.820 -0.098 0.000 1.877 220 A HA -0.077 4.242 4.320 -0.001 0.000 0.216 220 A C 2.207 179.717 177.584 -0.123 0.000 1.186 220 A CA 1.801 53.682 52.037 -0.261 0.000 0.620 220 A CB -0.775 18.262 19.000 0.063 0.000 0.822 220 A HN 0.513 nan 8.150 nan 0.000 0.443 221 Y N -1.079 119.124 120.300 -0.160 0.000 2.097 221 Y HA -0.280 4.269 4.550 -0.001 0.000 0.282 221 Y C 2.158 177.830 175.900 -0.381 0.000 1.152 221 Y CA 2.037 59.970 58.100 -0.278 0.000 1.136 221 Y CB -0.553 37.621 38.460 -0.476 0.000 0.975 221 Y HN 0.446 nan 8.280 nan 0.000 0.498 222 W N 0.171 121.293 121.300 -0.297 0.000 2.363 222 W HA -0.173 4.486 4.660 -0.001 0.000 0.296 222 W C 2.347 178.599 176.519 -0.444 0.000 1.212 222 W CA 1.114 58.201 57.345 -0.430 0.000 1.260 222 W CB -0.456 28.752 29.460 -0.420 0.000 1.131 222 W HN 0.084 nan 8.180 nan 0.000 0.530 223 L N -0.878 120.162 121.223 -0.305 0.000 2.093 223 L HA -0.259 4.080 4.340 -0.001 0.000 0.208 223 L C 2.432 179.045 176.870 -0.430 0.000 1.085 223 L CA 1.184 55.696 54.840 -0.548 0.000 0.755 223 L CB -0.832 40.510 42.059 -1.195 0.000 0.904 223 L HN 0.099 nan 8.230 nan 0.000 0.435 224 Y N 1.056 121.102 120.300 -0.424 0.000 2.145 224 Y HA -0.260 4.289 4.550 -0.001 0.000 0.286 224 Y C 2.464 178.202 175.900 -0.270 0.000 1.145 224 Y CA 1.477 59.443 58.100 -0.223 0.000 1.148 224 Y CB -0.182 38.125 38.460 -0.254 0.000 0.981 224 Y HN -0.025 nan 8.280 nan 0.000 0.507 225 K N 0.174 120.156 120.400 -0.696 0.000 2.097 225 K HA -0.060 4.259 4.320 -0.001 0.000 0.205 225 K C 2.275 178.666 176.600 -0.350 0.000 1.050 225 K CA 1.137 57.027 56.287 -0.662 0.000 0.938 225 K CB -0.547 31.612 32.500 -0.569 0.000 0.718 225 K HN 0.445 nan 8.250 nan 0.000 0.442 226 A N 1.159 123.841 122.820 -0.230 0.000 2.016 226 A HA -0.086 4.233 4.320 -0.001 0.000 0.217 226 A C 2.209 179.722 177.584 -0.118 0.000 1.162 226 A CA 1.841 53.799 52.037 -0.132 0.000 0.662 226 A CB -0.375 18.566 19.000 -0.098 0.000 0.812 226 A HN 0.463 nan 8.150 nan 0.000 0.450 227 T N -5.629 108.850 114.554 -0.126 0.000 3.042 227 T HA 0.412 4.761 4.350 -0.001 0.000 0.245 227 T C 1.527 176.202 174.700 -0.043 0.000 1.029 227 T CA 1.231 63.310 62.100 -0.036 0.000 1.120 227 T CB 0.027 68.941 68.868 0.076 0.000 0.917 227 T HN 1.626 nan 8.240 nan 0.000 0.467 228 G N 1.501 110.230 108.800 -0.119 0.000 2.157 228 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.248 228 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.248 228 G C -0.259 174.699 174.900 0.097 0.000 0.979 228 G CA 0.075 45.103 45.100 -0.120 0.000 0.650 228 G HN 0.693 nan 8.290 nan 0.000 0.529 229 D N 0.941 121.462 120.400 0.201 0.000 2.352 229 D HA 0.343 4.982 4.640 -0.001 0.000 0.245 229 D C 1.325 177.790 176.300 0.275 0.000 1.224 229 D CA -0.442 53.685 54.000 0.212 0.000 0.879 229 D CB 0.426 41.354 40.800 0.213 0.000 1.057 229 D HN 0.145 nan 8.370 nan 0.000 0.491 230 D N 1.699 122.196 120.400 0.161 0.000 2.190 230 D HA -0.198 4.442 4.640 -0.001 0.000 0.200 230 D C 1.926 178.179 176.300 -0.079 0.000 0.992 230 D CA 1.179 55.198 54.000 0.033 0.000 0.854 230 D CB -0.010 40.794 40.800 0.007 0.000 0.936 230 D HN 0.512 nan 8.370 nan 0.000 0.462 231 S N -0.073 115.565 115.700 -0.103 0.000 2.400 231 S HA -0.232 4.237 4.470 -0.001 0.000 0.232 231 S C 2.047 176.529 174.600 -0.196 0.000 1.025 231 S CA 0.755 58.845 58.200 -0.183 0.000 0.993 231 S CB -0.763 62.276 63.200 -0.268 0.000 0.808 231 S HN 0.239 nan 8.310 nan 0.000 0.478 232 Y N 1.423 121.700 120.300 -0.039 0.000 2.200 232 Y HA 0.093 4.642 4.550 -0.001 0.000 0.290 232 Y C 2.419 178.236 175.900 -0.138 0.000 1.137 232 Y CA 0.576 58.635 58.100 -0.069 0.000 1.163 232 Y CB -0.899 37.536 38.460 -0.042 0.000 0.988 232 Y HN 0.282 nan 8.280 nan 0.000 0.518 233 L N 0.133 121.236 121.223 -0.200 0.000 2.046 233 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 233 L C 2.332 179.099 176.870 -0.173 0.000 1.077 233 L CA 1.992 56.564 54.840 -0.448 0.000 0.747 233 L CB -1.087 40.314 42.059 -1.098 0.000 0.896 233 L HN 0.133 nan 8.230 nan 0.000 0.432 234 A N -0.467 122.280 122.820 -0.122 0.000 1.902 234 A HA -0.264 4.056 4.320 -0.001 0.000 0.217 234 A C 2.347 179.978 177.584 0.078 0.000 1.181 234 A CA 1.966 53.987 52.037 -0.027 0.000 0.623 234 A CB -0.644 18.328 19.000 -0.047 0.000 0.818 234 A HN 0.451 nan 8.150 nan 0.000 0.443 235 K N 0.360 120.813 120.400 0.089 0.000 2.057 235 K HA -0.025 4.295 4.320 -0.001 0.000 0.207 235 K C 1.975 178.745 176.600 0.282 0.000 1.049 235 K CA 1.841 58.255 56.287 0.212 0.000 0.931 235 K CB -0.661 31.969 32.500 0.218 0.000 0.714 235 K HN 0.317 nan 8.250 nan 0.000 0.440 236 A N 1.036 123.974 122.820 0.196 0.000 1.858 236 A HA -0.182 4.137 4.320 -0.001 0.000 0.216 236 A C 2.013 179.725 177.584 0.213 0.000 1.190 236 A CA 1.915 54.073 52.037 0.202 0.000 0.617 236 A CB -0.659 18.418 19.000 0.128 0.000 0.827 236 A HN 0.535 nan 8.150 nan 0.000 0.443 237 E N -1.780 118.509 120.200 0.148 0.000 2.204 237 E HA -0.208 4.141 4.350 -0.001 0.000 0.195 237 E C 1.822 178.557 176.600 0.225 0.000 0.990 237 E CA 1.396 57.894 56.400 0.164 0.000 0.821 237 E CB -0.276 29.493 29.700 0.116 0.000 0.750 237 E HN 0.817 nan 8.360 nan 0.000 0.477 238 Y N 2.121 122.505 120.300 0.141 0.000 2.153 238 Y HA -0.138 4.412 4.550 -0.001 0.000 0.289 238 Y C 2.056 178.080 175.900 0.206 0.000 1.127 238 Y CA 1.357 59.545 58.100 0.147 0.000 1.131 238 Y CB 0.073 38.630 38.460 0.162 0.000 0.995 238 Y HN -0.137 nan 8.280 nan 0.000 0.505 239 E N -0.587 119.700 120.200 0.146 0.000 2.204 239 E HA -0.255 4.094 4.350 -0.001 0.000 0.195 239 E C 1.970 178.657 176.600 0.145 0.000 0.990 239 E CA 1.127 57.645 56.400 0.196 0.000 0.821 239 E CB -0.827 29.069 29.700 0.326 0.000 0.750 239 E HN 0.684 nan 8.360 nan 0.000 0.477 240 Y N 2.429 122.741 120.300 0.021 0.000 2.241 240 Y HA -0.217 4.332 4.550 -0.001 0.000 0.286 240 Y C 1.586 177.432 175.900 -0.090 0.000 1.166 240 Y CA 1.674 59.792 58.100 0.030 0.000 1.203 240 Y CB 0.105 38.639 38.460 0.124 0.000 0.977 240 Y HN -0.033 nan 8.280 nan 0.000 0.529 241 D N -0.625 119.672 120.400 -0.171 0.000 2.348 241 D HA -0.124 4.516 4.640 -0.001 0.000 0.216 241 D C 0.801 176.756 176.300 -0.574 0.000 0.970 241 D CA 0.915 54.666 54.000 -0.415 0.000 0.889 241 D CB -0.221 40.222 40.800 -0.595 0.000 0.912 241 D HN 0.390 nan 8.370 nan 0.000 0.524 242 F N 0.543 120.412 119.950 -0.135 0.000 2.660 242 F HA 0.231 4.757 4.527 -0.001 0.000 0.302 242 F C 1.072 176.787 175.800 -0.142 0.000 1.103 242 F CA -0.300 57.621 58.000 -0.131 0.000 1.340 242 F CB -0.214 38.709 39.000 -0.130 0.000 1.048 242 F HN -0.246 nan 8.300 nan 0.000 0.551 243 L N 0.072 121.237 121.223 -0.096 0.000 2.452 243 L HA 0.149 4.488 4.340 -0.001 0.000 0.267 243 L C 0.894 177.690 176.870 -0.124 0.000 1.188 243 L CA -0.342 54.407 54.840 -0.152 0.000 0.821 243 L CB 0.444 42.319 42.059 -0.308 0.000 1.102 243 L HN -0.042 nan 8.230 nan 0.000 0.470 244 S N 0.623 116.248 115.700 -0.125 0.000 2.546 244 S HA 0.101 4.570 4.470 -0.001 0.000 0.290 244 S C 0.331 174.874 174.600 -0.095 0.000 1.290 244 S CA -0.554 57.583 58.200 -0.105 0.000 1.069 244 S CB 0.418 63.547 63.200 -0.119 0.000 0.846 244 S HN 0.729 nan 8.310 nan 0.000 0.495 245 T N 0.599 115.111 114.554 -0.069 0.000 2.884 245 T HA 0.540 4.889 4.350 -0.001 0.000 0.277 245 T C -0.380 174.292 174.700 -0.047 0.000 0.976 245 T CA -0.965 61.107 62.100 -0.046 0.000 0.956 245 T CB 0.863 69.712 68.868 -0.032 0.000 1.113 245 T HN 0.581 nan 8.240 nan 0.000 0.554 246 E N 0.723 120.910 120.200 -0.022 0.000 2.158 246 E HA 0.246 4.596 4.350 -0.001 0.000 0.271 246 E C 0.798 177.377 176.600 -0.035 0.000 0.911 246 E CA -0.552 55.816 56.400 -0.053 0.000 0.767 246 E CB 0.920 30.560 29.700 -0.099 0.000 1.120 246 E HN 0.894 nan 8.360 nan 0.000 0.405 247 Q N 1.923 121.690 119.800 -0.055 0.000 2.411 247 Q HA -0.468 3.871 4.340 -0.001 0.000 0.405 247 Q C 1.046 177.035 176.000 -0.020 0.000 1.468 247 Q CA 2.423 58.203 55.803 -0.039 0.000 0.922 247 Q CB -1.014 27.701 28.738 -0.039 0.000 1.563 247 Q HN 0.535 nan 8.270 nan 0.000 0.945 248 Q N 1.385 121.182 119.800 -0.004 0.000 2.280 248 Q HA 0.183 4.523 4.340 -0.001 0.000 0.244 248 Q C 0.139 176.144 176.000 0.008 0.000 0.847 248 Q CA 0.969 56.773 55.803 0.001 0.000 0.945 248 Q CB 1.158 29.899 28.738 0.005 0.000 1.115 248 Q HN 0.705 nan 8.270 nan 0.000 0.513 249 T N -1.362 113.204 114.554 0.020 0.000 2.862 249 T HA 0.200 4.549 4.350 -0.001 0.000 0.276 249 T C 0.418 175.127 174.700 0.016 0.000 0.974 249 T CA -0.213 61.902 62.100 0.025 0.000 0.966 249 T CB 0.767 69.664 68.868 0.049 0.000 1.072 249 T HN 0.255 nan 8.240 nan 0.000 0.538 250 D N 0.446 120.851 120.400 0.009 0.000 2.395 250 D HA 0.109 4.748 4.640 -0.001 0.000 0.226 250 D C 0.119 176.416 176.300 -0.005 0.000 1.146 250 D CA -0.278 53.718 54.000 -0.005 0.000 0.830 250 D CB -0.112 40.680 40.800 -0.013 0.000 0.958 250 D HN 0.399 nan 8.370 nan 0.000 0.501 251 L N 1.047 122.284 121.223 0.023 0.000 2.290 251 L HA 0.319 4.658 4.340 -0.001 0.000 0.284 251 L C 0.959 177.861 176.870 0.053 0.000 1.078 251 L CA -0.726 54.137 54.840 0.038 0.000 0.815 251 L CB 1.216 43.331 42.059 0.094 0.000 1.162 251 L HN -0.289 nan 8.230 nan 0.000 0.435 252 R N 1.525 122.021 120.500 -0.007 0.000 2.623 252 R HA 0.088 4.427 4.340 -0.001 0.000 0.271 252 R C 0.164 176.509 176.300 0.075 0.000 1.043 252 R CA -0.255 55.825 56.100 -0.033 0.000 1.083 252 R CB 0.508 30.717 30.300 -0.151 0.000 0.974 252 R HN 0.615 nan 8.270 nan 0.000 0.436 253 S N 2.631 118.337 115.700 0.011 0.000 2.715 253 S HA -0.147 4.322 4.470 -0.001 0.000 0.318 253 S C 0.182 174.892 174.600 0.183 0.000 1.242 253 S CA 0.553 58.748 58.200 -0.007 0.000 1.044 253 S CB -0.045 63.085 63.200 -0.116 0.000 0.760 253 S HN 0.745 nan 8.310 nan 0.000 0.501 254 Y N 0.282 120.713 120.300 0.219 0.000 2.666 254 Y HA 0.453 5.002 4.550 -0.001 0.000 0.260 254 Y C 0.973 177.082 175.900 0.349 0.000 1.089 254 Y CA -0.635 57.733 58.100 0.447 0.000 1.246 254 Y CB 0.065 38.702 38.460 0.295 0.000 1.353 254 Y HN 0.450 nan 8.280 nan 0.000 0.558 255 R N -0.022 120.333 120.500 -0.243 0.000 2.334 255 R HA 0.111 4.450 4.340 -0.001 0.000 0.216 255 R C 0.263 176.652 176.300 0.148 0.000 0.905 255 R CA 0.141 55.959 56.100 -0.471 0.000 1.064 255 R CB 0.320 30.220 30.300 -0.668 0.000 1.046 255 R HN 0.505 nan 8.270 nan 0.000 0.508 256 W N -0.589 120.727 121.300 0.027 0.000 2.987 256 W HA 0.367 5.027 4.660 -0.001 0.000 0.585 256 W C -0.293 176.100 176.519 -0.211 0.000 1.338 256 W CA -0.233 57.054 57.345 -0.098 0.000 0.939 256 W CB 1.493 30.850 29.460 -0.170 0.000 3.083 256 W HN -0.254 nan 8.180 nan 0.000 0.720 257 T N 0.176 114.363 114.554 -0.613 0.000 2.718 257 T HA 0.294 4.644 4.350 -0.001 0.000 0.306 257 T C -1.312 173.088 174.700 -0.500 0.000 1.485 257 T CA -0.713 60.982 62.100 -0.675 0.000 0.997 257 T CB 0.927 69.678 68.868 -0.194 0.000 1.504 257 T HN 0.299 nan 8.240 nan 0.000 0.497 258 I N 2.300 122.727 120.570 -0.237 0.000 2.588 258 I HA 0.588 4.757 4.170 -0.001 0.000 0.283 258 I C -0.031 176.136 176.117 0.083 0.000 1.119 258 I CA 0.313 61.601 61.300 -0.019 0.000 1.419 258 I CB 0.279 38.355 38.000 0.127 0.000 1.394 258 I HN 0.880 nan 8.210 nan 0.000 0.562 259 A N 7.704 130.442 122.820 -0.136 0.000 2.493 259 A HA 0.246 4.565 4.320 -0.001 0.000 0.300 259 A C 0.130 177.018 177.584 -1.158 0.000 1.152 259 A CA -0.443 51.427 52.037 -0.278 0.000 0.643 259 A CB -0.009 19.008 19.000 0.029 0.000 1.316 259 A HN 0.932 nan 8.150 nan 0.000 0.469 260 W N -0.517 120.220 121.300 -0.938 0.000 2.336 260 W HA -0.169 4.490 4.660 -0.001 0.000 0.277 260 W C 0.329 176.331 176.519 -0.861 0.000 1.211 260 W CA 2.229 58.917 57.345 -1.095 0.000 1.187 260 W CB -0.524 28.729 29.460 -0.347 0.000 1.132 260 W HN 0.821 nan 8.180 nan 0.000 0.562 261 D N 0.144 119.894 120.400 -1.083 0.000 2.338 261 D HA -0.083 4.556 4.640 -0.001 0.000 0.224 261 D C -0.092 176.027 176.300 -0.303 0.000 0.967 261 D CA 0.571 54.185 54.000 -0.643 0.000 0.896 261 D CB 0.080 40.330 40.800 -0.916 0.000 1.028 261 D HN -0.197 nan 8.370 nan 0.000 0.493 262 D N -0.341 119.852 120.400 -0.345 0.000 2.381 262 D HA 0.228 4.867 4.640 -0.001 0.000 0.235 262 D C -0.304 175.846 176.300 -0.250 0.000 1.068 262 D CA -0.306 53.578 54.000 -0.193 0.000 0.832 262 D CB 1.501 42.273 40.800 -0.047 0.000 1.101 262 D HN -0.153 nan 8.370 nan 0.000 0.515 263 K N 0.847 121.056 120.400 -0.319 0.000 2.358 263 K HA 0.173 4.493 4.320 -0.001 0.000 0.197 263 K C 1.719 178.085 176.600 -0.390 0.000 1.025 263 K CA -0.065 55.929 56.287 -0.488 0.000 1.104 263 K CB 0.455 32.427 32.500 -0.880 0.000 0.855 263 K HN 0.137 nan 8.250 nan 0.000 0.531 264 S N 0.598 116.040 115.700 -0.429 0.000 2.368 264 S HA -0.231 4.239 4.470 -0.001 0.000 0.226 264 S C 1.398 175.233 174.600 -1.275 0.000 1.044 264 S CA 1.669 59.426 58.200 -0.739 0.000 1.062 264 S CB -0.513 62.141 63.200 -0.909 0.000 0.931 264 S HN 0.350 nan 8.310 nan 0.000 0.440 265 Y N 1.696 121.261 120.300 -1.225 0.000 2.207 265 Y HA -0.101 4.448 4.550 -0.001 0.000 0.287 265 Y C 2.801 178.220 175.900 -0.803 0.000 1.156 265 Y CA 0.822 57.998 58.100 -1.540 0.000 1.182 265 Y CB -1.142 36.262 38.460 -1.760 0.000 0.979 265 Y HN 0.357 nan 8.280 nan 0.000 0.521 266 G N -0.600 108.066 108.800 -0.223 0.000 2.408 266 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.217 266 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.217 266 G C 1.783 176.744 174.900 0.102 0.000 1.150 266 G CA 1.514 46.730 45.100 0.193 0.000 0.776 266 G HN 0.470 nan 8.290 nan 0.000 0.542 267 T N -1.702 112.847 114.554 -0.008 0.000 2.915 267 T HA -0.129 4.221 4.350 -0.001 0.000 0.269 267 T C 2.077 176.836 174.700 0.099 0.000 1.071 267 T CA 1.098 63.198 62.100 0.001 0.000 1.132 267 T CB -0.415 68.527 68.868 0.124 0.000 0.878 267 T HN 0.221 nan 8.240 nan 0.000 0.479 268 Y N 1.783 122.121 120.300 0.064 0.000 2.070 268 Y HA -0.031 4.518 4.550 -0.001 0.000 0.280 268 Y C 2.917 178.816 175.900 -0.003 0.000 1.148 268 Y CA -0.130 58.040 58.100 0.117 0.000 1.125 268 Y CB -1.372 37.135 38.460 0.077 0.000 0.975 268 Y HN 0.106 nan 8.280 nan 0.000 0.492 269 V N 0.013 120.024 119.914 0.162 0.000 2.307 269 V HA -0.269 3.850 4.120 -0.001 0.000 0.245 269 V C 2.520 178.645 176.094 0.051 0.000 1.045 269 V CA 1.497 63.836 62.300 0.064 0.000 1.024 269 V CB -0.940 30.979 31.823 0.161 0.000 0.651 269 V HN 0.326 nan 8.190 nan 0.000 0.449 270 L N -0.781 120.377 121.223 -0.110 0.000 2.017 270 L HA -0.191 4.149 4.340 -0.001 0.000 0.208 270 L C 2.402 179.025 176.870 -0.413 0.000 1.073 270 L CA 1.576 56.156 54.840 -0.433 0.000 0.745 270 L CB -0.477 40.888 42.059 -1.156 0.000 0.894 270 L HN 0.298 nan 8.230 nan 0.000 0.432 271 L N -0.757 120.185 121.223 -0.469 0.000 2.109 271 L HA -0.143 4.197 4.340 -0.001 0.000 0.207 271 L C 2.845 179.508 176.870 -0.344 0.000 1.086 271 L CA 0.918 55.389 54.840 -0.616 0.000 0.760 271 L CB -0.662 40.571 42.059 -1.376 0.000 0.910 271 L HN 0.232 nan 8.230 nan 0.000 0.437 272 A N 0.206 122.976 122.820 -0.083 0.000 1.902 272 A HA -0.255 4.065 4.320 -0.001 0.000 0.217 272 A C 2.398 180.097 177.584 0.192 0.000 1.181 272 A CA 1.929 54.096 52.037 0.216 0.000 0.623 272 A CB -0.401 18.793 19.000 0.324 0.000 0.818 272 A HN 0.324 nan 8.150 nan 0.000 0.443 273 K N -0.615 119.879 120.400 0.157 0.000 2.057 273 K HA -0.201 4.118 4.320 -0.001 0.000 0.206 273 K C 2.036 178.714 176.600 0.130 0.000 1.050 273 K CA 1.732 58.119 56.287 0.166 0.000 0.935 273 K CB -0.101 32.503 32.500 0.173 0.000 0.715 273 K HN 0.408 nan 8.250 nan 0.000 0.439 274 E N -0.130 120.132 120.200 0.102 0.000 2.028 274 E HA -0.118 4.231 4.350 -0.001 0.000 0.190 274 E C 1.876 178.539 176.600 0.104 0.000 0.984 274 E CA 2.196 58.672 56.400 0.128 0.000 0.800 274 E CB -0.119 29.691 29.700 0.184 0.000 0.758 274 E HN 0.480 nan 8.360 nan 0.000 0.448 275 T N -3.946 110.661 114.554 0.089 0.000 2.976 275 T HA 0.214 4.563 4.350 -0.001 0.000 0.257 275 T C 1.688 176.466 174.700 0.129 0.000 1.051 275 T CA 0.904 63.074 62.100 0.115 0.000 1.141 275 T CB -0.018 68.956 68.868 0.176 0.000 0.881 275 T HN 0.381 nan 8.240 nan 0.000 0.461 276 G N 1.645 110.543 108.800 0.164 0.000 2.157 276 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.248 276 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.248 276 G C -0.024 174.951 174.900 0.126 0.000 0.979 276 G CA 0.103 45.288 45.100 0.142 0.000 0.650 276 G HN 0.711 nan 8.290 nan 0.000 0.529 277 K N 0.005 120.494 120.400 0.148 0.000 2.401 277 K HA 0.263 4.582 4.320 -0.001 0.000 0.278 277 K C 1.342 177.910 176.600 -0.052 0.000 1.018 277 K CA 0.028 56.315 56.287 0.001 0.000 0.981 277 K CB 0.784 33.199 32.500 -0.141 0.000 0.933 277 K HN 0.170 nan 8.250 nan 0.000 0.477 278 Q N 3.383 123.141 119.800 -0.070 0.000 2.197 278 Q HA -0.246 4.093 4.340 -0.001 0.000 0.207 278 Q C 1.742 177.672 176.000 -0.116 0.000 0.984 278 Q CA 1.798 57.570 55.803 -0.051 0.000 0.869 278 Q CB -0.014 28.696 28.738 -0.046 0.000 0.906 278 Q HN 0.563 nan 8.270 nan 0.000 0.426 279 K N -1.123 119.108 120.400 -0.281 0.000 2.034 279 K HA -0.247 4.072 4.320 -0.001 0.000 0.214 279 K C 1.662 178.064 176.600 -0.330 0.000 1.051 279 K CA 1.944 57.996 56.287 -0.392 0.000 0.931 279 K CB -0.289 31.791 32.500 -0.700 0.000 0.715 279 K HN 0.309 nan 8.250 nan 0.000 0.446 280 Y N 0.540 120.787 120.300 -0.087 0.000 2.286 280 Y HA -0.024 4.526 4.550 -0.001 0.000 0.293 280 Y C 2.111 178.021 175.900 0.017 0.000 1.124 280 Y CA 0.624 58.684 58.100 -0.068 0.000 1.178 280 Y CB -0.350 38.046 38.460 -0.106 0.000 1.010 280 Y HN 0.024 nan 8.280 nan 0.000 0.536 281 I N 0.117 120.801 120.570 0.190 0.000 2.208 281 I HA -0.303 3.866 4.170 -0.001 0.000 0.245 281 I C 1.724 177.947 176.117 0.176 0.000 1.097 281 I CA 1.539 62.987 61.300 0.247 0.000 1.363 281 I CB -0.317 37.815 38.000 0.219 0.000 1.051 281 I HN 0.174 nan 8.210 nan 0.000 0.413 282 D N 0.834 121.277 120.400 0.071 0.000 2.097 282 D HA -0.170 4.470 4.640 -0.001 0.000 0.195 282 D C 1.813 178.114 176.300 0.002 0.000 0.989 282 D CA 1.232 55.251 54.000 0.033 0.000 0.827 282 D CB -0.368 40.420 40.800 -0.021 0.000 0.966 282 D HN 0.288 nan 8.370 nan 0.000 0.456 283 D N 0.521 120.876 120.400 -0.075 0.000 2.084 283 D HA -0.088 4.552 4.640 -0.001 0.000 0.194 283 D C 2.062 178.304 176.300 -0.097 0.000 0.990 283 D CA 1.398 55.238 54.000 -0.267 0.000 0.826 283 D CB -0.377 40.025 40.800 -0.664 0.000 0.971 283 D HN 0.120 nan 8.370 nan 0.000 0.453 284 A N 0.993 123.831 122.820 0.031 0.000 1.908 284 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 284 A C 1.990 179.677 177.584 0.171 0.000 1.181 284 A CA 1.772 53.901 52.037 0.154 0.000 0.627 284 A CB -0.949 17.873 19.000 -0.296 0.000 0.818 284 A HN 0.282 nan 8.150 nan 0.000 0.445 285 N N -1.232 117.603 118.700 0.226 0.000 2.120 285 N HA -0.181 4.559 4.740 -0.001 0.000 0.188 285 N C 2.116 177.768 175.510 0.237 0.000 1.024 285 N CA 1.159 54.400 53.050 0.319 0.000 0.852 285 N CB -0.166 38.503 38.487 0.304 0.000 1.003 285 N HN 0.508 nan 8.380 nan 0.000 0.424 286 R N 0.208 120.807 120.500 0.165 0.000 2.073 286 R HA -0.191 4.148 4.340 -0.001 0.000 0.234 286 R C 2.122 178.591 176.300 0.282 0.000 1.134 286 R CA 1.571 57.727 56.100 0.093 0.000 0.952 286 R CB -0.308 29.941 30.300 -0.085 0.000 0.850 286 R HN 0.376 nan 8.270 nan 0.000 0.433 287 W N 1.287 122.730 121.300 0.239 0.000 2.353 287 W HA -0.175 4.484 4.660 -0.001 0.000 0.319 287 W C 1.567 178.314 176.519 0.379 0.000 1.207 287 W CA 1.368 58.980 57.345 0.444 0.000 1.291 287 W CB -0.741 29.045 29.460 0.543 0.000 1.159 287 W HN 0.062 nan 8.180 nan 0.000 0.478 288 L N 0.612 121.714 121.223 -0.203 0.000 2.191 288 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 288 L C 2.122 178.916 176.870 -0.126 0.000 1.103 288 L CA 1.542 56.013 54.840 -0.616 0.000 0.769 288 L CB -0.821 40.544 42.059 -1.156 0.000 0.908 288 L HN -0.065 nan 8.230 nan 0.000 0.438 289 D N -0.851 119.635 120.400 0.144 0.000 2.117 289 D HA -0.222 4.417 4.640 -0.001 0.000 0.198 289 D C 1.868 178.274 176.300 0.176 0.000 0.982 289 D CA 1.027 55.155 54.000 0.213 0.000 0.828 289 D CB -0.142 40.779 40.800 0.202 0.000 0.967 289 D HN 0.281 nan 8.370 nan 0.000 0.464 290 Y N -0.530 119.860 120.300 0.149 0.000 2.207 290 Y HA -0.210 4.339 4.550 -0.001 0.000 0.287 290 Y C 1.566 177.490 175.900 0.041 0.000 1.156 290 Y CA 1.407 59.605 58.100 0.162 0.000 1.182 290 Y CB -0.385 38.296 38.460 0.368 0.000 0.979 290 Y HN -0.018 nan 8.280 nan 0.000 0.521 291 W N 0.304 121.496 121.300 -0.179 0.000 2.937 291 W HA 0.022 4.681 4.660 -0.001 0.000 0.245 291 W C 2.165 178.485 176.519 -0.333 0.000 1.306 291 W CA 1.614 58.742 57.345 -0.361 0.000 1.470 291 W CB -0.123 28.984 29.460 -0.587 0.000 1.132 291 W HN 0.251 nan 8.180 nan 0.000 0.675 292 T N -4.889 109.626 114.554 -0.064 0.000 3.447 292 T HA -0.009 4.340 4.350 -0.001 0.000 0.218 292 T C 1.553 176.233 174.700 -0.035 0.000 0.972 292 T CA 1.009 63.092 62.100 -0.027 0.000 1.264 292 T CB -0.773 68.087 68.868 -0.015 0.000 1.284 292 T HN -0.130 nan 8.240 nan 0.000 0.361 293 V N -0.351 119.558 119.914 -0.009 0.000 3.354 293 V HA 0.620 4.739 4.120 -0.001 0.000 0.258 293 V C 1.317 177.396 176.094 -0.025 0.000 1.159 293 V CA 0.266 62.551 62.300 -0.026 0.000 1.125 293 V CB -1.188 30.634 31.823 -0.002 0.000 0.774 293 V HN 1.339 nan 8.190 nan 0.000 0.464 294 G N 0.239 109.033 108.800 -0.009 0.000 2.690 294 G HA2 0.172 4.131 3.960 -0.001 0.000 0.686 294 G HA3 0.172 4.131 3.960 -0.001 0.000 0.686 294 G C -0.714 174.244 174.900 0.097 0.000 1.277 294 G CA -0.165 44.944 45.100 0.014 0.000 0.799 294 G HN 1.763 nan 8.290 nan 0.000 0.613 295 V N -2.204 117.818 119.914 0.180 0.000 2.525 295 V HA 0.801 4.920 4.120 -0.001 0.000 0.299 295 V C 0.356 176.530 176.094 0.133 0.000 1.034 295 V CA -0.151 62.226 62.300 0.128 0.000 0.863 295 V CB 1.097 32.958 31.823 0.064 0.000 0.999 295 V HN 1.930 nan 8.190 nan 0.000 0.423 296 N N 3.454 122.199 118.700 0.075 0.000 2.754 296 N HA -0.117 4.623 4.740 -0.001 0.000 0.248 296 N C 1.170 176.729 175.510 0.082 0.000 1.093 296 N CA 1.472 54.565 53.050 0.072 0.000 0.699 296 N CB -1.306 37.231 38.487 0.082 0.000 1.016 296 N HN 2.103 nan 8.380 nan 0.000 0.552 297 G N -1.517 107.324 108.800 0.068 0.000 2.184 297 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.264 297 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.264 297 G C -0.123 174.820 174.900 0.071 0.000 0.975 297 G CA 0.768 45.901 45.100 0.054 0.000 0.642 297 G HN 0.549 nan 8.290 nan 0.000 0.536 298 Q N -0.401 119.479 119.800 0.133 0.000 2.274 298 Q HA 0.742 5.081 4.340 -0.001 0.000 0.260 298 Q C 0.130 176.203 176.000 0.120 0.000 0.974 298 Q CA -0.636 55.278 55.803 0.185 0.000 0.876 298 Q CB 1.979 30.910 28.738 0.322 0.000 1.297 298 Q HN 0.400 nan 8.270 nan 0.000 0.446 299 R N 1.196 121.627 120.500 -0.115 0.000 2.643 299 R HA 0.367 4.706 4.340 -0.001 0.000 0.269 299 R C -1.397 174.478 176.300 -0.708 0.000 1.037 299 R CA -0.655 55.125 56.100 -0.532 0.000 0.894 299 R CB 1.963 32.122 30.300 -0.235 0.000 1.238 299 R HN 0.511 nan 8.270 nan 0.000 0.459 300 V N 4.302 123.537 119.914 -1.132 0.000 2.763 300 V HA 0.166 4.285 4.120 -0.001 0.000 0.306 300 V C -2.080 173.757 176.094 -0.428 0.000 1.059 300 V CA -1.070 60.716 62.300 -0.857 0.000 1.138 300 V CB 0.836 31.870 31.823 -1.316 0.000 0.940 300 V HN 0.699 nan 8.190 nan 0.000 0.489 301 P HA 0.147 nan 4.420 nan 0.000 0.265 301 P C -1.552 175.623 177.300 -0.208 0.000 1.193 301 P CA 0.542 63.530 63.100 -0.187 0.000 0.765 301 P CB 0.136 31.728 31.700 -0.181 0.000 0.823 302 Y N 0.549 120.755 120.300 -0.156 0.000 2.446 302 Y HA 0.350 4.899 4.550 -0.001 0.000 0.345 302 Y C 0.908 176.757 175.900 -0.085 0.000 0.984 302 Y CA -0.294 57.736 58.100 -0.116 0.000 1.058 302 Y CB 1.608 40.020 38.460 -0.079 0.000 1.220 302 Y HN 0.314 nan 8.280 nan 0.000 0.455 303 S N 2.475 118.211 115.700 0.060 0.000 2.632 303 S HA 0.326 4.795 4.470 -0.001 0.000 0.267 303 S C -2.158 172.505 174.600 0.105 0.000 1.276 303 S CA -1.159 57.069 58.200 0.048 0.000 0.998 303 S CB 1.541 64.748 63.200 0.011 0.000 0.953 303 S HN 0.457 nan 8.310 nan 0.000 0.547 304 P HA 0.044 nan 4.420 nan 0.000 0.218 304 P C 1.510 178.880 177.300 0.118 0.000 1.148 304 P CA 1.356 64.505 63.100 0.082 0.000 0.822 304 P CB -0.392 31.344 31.700 0.060 0.000 0.784 305 G N -1.456 107.443 108.800 0.164 0.000 2.598 305 G HA2 0.134 4.094 3.960 -0.001 0.000 0.215 305 G HA3 0.134 4.094 3.960 -0.001 0.000 0.215 305 G C 1.108 176.190 174.900 0.304 0.000 1.131 305 G CA 0.604 45.849 45.100 0.243 0.000 0.785 305 G HN 0.433 nan 8.290 nan 0.000 0.539 306 G N -0.990 107.958 108.800 0.247 0.000 2.148 306 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.203 306 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.203 306 G C 0.238 175.255 174.900 0.196 0.000 0.993 306 G CA 0.207 45.478 45.100 0.284 0.000 0.661 306 G HN 0.539 nan 8.290 nan 0.000 0.518 307 M N 1.455 120.985 119.600 -0.117 0.000 2.216 307 M HA 0.677 5.156 4.480 -0.001 0.000 0.356 307 M C 0.545 176.541 176.300 -0.506 0.000 1.205 307 M CA -0.162 54.804 55.300 -0.557 0.000 1.122 307 M CB 1.079 33.038 32.600 -1.068 0.000 1.571 307 M HN 0.614 nan 8.290 nan 0.000 0.464 308 A N 5.308 127.772 122.820 -0.594 0.000 2.310 308 A HA 0.523 4.842 4.320 -0.001 0.000 0.300 308 A C -0.784 176.539 177.584 -0.436 0.000 1.269 308 A CA -0.589 50.992 52.037 -0.761 0.000 0.909 308 A CB -0.080 18.693 19.000 -0.378 0.000 1.144 308 A HN 0.659 nan 8.150 nan 0.000 0.540 309 V N 5.323 124.968 119.914 -0.448 0.000 2.277 309 V HA 0.088 4.208 4.120 -0.001 0.000 0.269 309 V C 1.104 176.988 176.094 -0.349 0.000 1.036 309 V CA -0.227 61.885 62.300 -0.314 0.000 0.821 309 V CB 0.620 32.294 31.823 -0.248 0.000 1.052 309 V HN 0.947 nan 8.190 nan 0.000 0.462 310 L N 3.045 124.061 121.223 -0.344 0.000 2.072 310 L HA 0.264 4.603 4.340 -0.001 0.000 0.205 310 L C 0.611 177.244 176.870 -0.395 0.000 1.079 310 L CA 1.957 56.493 54.840 -0.506 0.000 0.752 310 L CB 0.061 41.726 42.059 -0.658 0.000 0.906 310 L HN 0.793 nan 8.230 nan 0.000 0.436 311 D N -4.318 115.958 120.400 -0.206 0.000 2.665 311 D HA 0.208 4.847 4.640 -0.001 0.000 0.287 311 D C 0.657 176.946 176.300 -0.018 0.000 1.266 311 D CA 0.329 54.306 54.000 -0.038 0.000 0.830 311 D CB 1.023 41.898 40.800 0.125 0.000 1.356 311 D HN -0.122 nan 8.370 nan 0.000 0.437 312 T N -0.701 113.791 114.554 -0.102 0.000 2.904 312 T HA 0.021 4.370 4.350 -0.001 0.000 0.267 312 T C 0.519 174.995 174.700 -0.373 0.000 1.059 312 T CA 0.840 62.730 62.100 -0.350 0.000 1.137 312 T CB -0.206 68.255 68.868 -0.678 0.000 0.879 312 T HN 0.280 nan 8.240 nan 0.000 0.467 313 W N 1.164 122.565 121.300 0.168 0.000 2.338 313 W HA 0.537 5.196 4.660 -0.001 0.000 0.307 313 W C 1.107 177.680 176.519 0.089 0.000 1.167 313 W CA -0.690 56.764 57.345 0.182 0.000 1.208 313 W CB 0.320 29.935 29.460 0.260 0.000 1.228 313 W HN 0.260 nan 8.180 nan 0.000 0.499 314 G N 1.890 110.796 108.800 0.176 0.000 2.395 314 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.300 314 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.300 314 G C 1.096 175.774 174.900 -0.369 0.000 0.998 314 G CA 0.304 45.174 45.100 -0.384 0.000 1.046 314 G HN 0.933 nan 8.290 nan 0.000 0.513 315 A N -0.425 122.303 122.820 -0.154 0.000 1.873 315 A HA -0.057 4.262 4.320 -0.001 0.000 0.218 315 A C 2.520 180.006 177.584 -0.163 0.000 1.193 315 A CA 1.899 53.887 52.037 -0.082 0.000 0.629 315 A CB -0.305 18.610 19.000 -0.142 0.000 0.826 315 A HN 0.881 nan 8.150 nan 0.000 0.447 316 L N -0.932 120.111 121.223 -0.299 0.000 2.141 316 L HA -0.165 4.175 4.340 -0.001 0.000 0.209 316 L C 2.826 179.523 176.870 -0.289 0.000 1.094 316 L CA 1.307 55.962 54.840 -0.309 0.000 0.763 316 L CB -0.510 41.322 42.059 -0.378 0.000 0.908 316 L HN 0.475 nan 8.230 nan 0.000 0.437 317 R N 0.050 120.284 120.500 -0.442 0.000 2.081 317 R HA -0.218 4.121 4.340 -0.001 0.000 0.235 317 R C 2.223 178.416 176.300 -0.179 0.000 1.131 317 R CA 1.860 57.727 56.100 -0.389 0.000 0.960 317 R CB -0.530 29.344 30.300 -0.710 0.000 0.856 317 R HN 0.252 nan 8.270 nan 0.000 0.436 318 Y N 0.538 120.778 120.300 -0.100 0.000 2.163 318 Y HA -0.036 4.513 4.550 -0.001 0.000 0.288 318 Y C 2.607 178.455 175.900 -0.086 0.000 1.136 318 Y CA 1.202 59.264 58.100 -0.063 0.000 1.147 318 Y CB -0.896 37.528 38.460 -0.060 0.000 0.987 318 Y HN 0.217 nan 8.280 nan 0.000 0.509 319 A N 0.003 122.891 122.820 0.112 0.000 1.902 319 A HA -0.124 4.195 4.320 -0.001 0.000 0.217 319 A C 2.470 180.018 177.584 -0.061 0.000 1.181 319 A CA 1.971 54.027 52.037 0.032 0.000 0.623 319 A CB -1.241 17.740 19.000 -0.031 0.000 0.818 319 A HN 0.387 nan 8.150 nan 0.000 0.443 320 A N 0.050 122.858 122.820 -0.019 0.000 1.930 320 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 320 A C 1.920 179.564 177.584 0.100 0.000 1.175 320 A CA 1.805 53.880 52.037 0.062 0.000 0.627 320 A CB -0.607 18.489 19.000 0.160 0.000 0.815 320 A HN 0.535 nan 8.150 nan 0.000 0.443 321 N N -0.011 118.754 118.700 0.109 0.000 2.084 321 N HA -0.106 4.634 4.740 -0.001 0.000 0.190 321 N C 1.750 177.342 175.510 0.136 0.000 1.030 321 N CA 2.057 55.224 53.050 0.195 0.000 0.849 321 N CB -0.905 37.724 38.487 0.236 0.000 1.012 321 N HN 0.489 nan 8.380 nan 0.000 0.423 322 T N 0.797 115.311 114.554 -0.067 0.000 2.746 322 T HA -0.053 4.296 4.350 -0.001 0.000 0.267 322 T C 1.949 176.608 174.700 -0.069 0.000 1.039 322 T CA 1.321 63.279 62.100 -0.238 0.000 1.142 322 T CB -0.407 67.954 68.868 -0.845 0.000 0.866 322 T HN 0.332 nan 8.240 nan 0.000 0.444 323 A N 1.357 124.156 122.820 -0.035 0.000 1.908 323 A HA -0.054 4.265 4.320 -0.001 0.000 0.218 323 A C 2.004 179.602 177.584 0.025 0.000 1.181 323 A CA 1.445 53.450 52.037 -0.053 0.000 0.627 323 A CB -0.940 17.969 19.000 -0.153 0.000 0.818 323 A HN 0.473 nan 8.150 nan 0.000 0.445 324 F N 1.066 120.967 119.950 -0.081 0.000 2.075 324 F HA -0.142 4.385 4.527 -0.001 0.000 0.297 324 F C 2.187 177.922 175.800 -0.109 0.000 1.113 324 F CA 1.978 59.907 58.000 -0.118 0.000 1.218 324 F CB -0.703 38.211 39.000 -0.145 0.000 0.984 324 F HN 0.014 nan 8.300 nan 0.000 0.472 325 V N 0.924 120.622 119.914 -0.360 0.000 2.407 325 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 325 V C 2.814 178.816 176.094 -0.153 0.000 1.055 325 V CA 1.655 63.748 62.300 -0.346 0.000 1.049 325 V CB -1.808 30.103 31.823 0.146 0.000 0.662 325 V HN 0.511 nan 8.190 nan 0.000 0.455 326 A N -0.189 122.565 122.820 -0.110 0.000 1.933 326 A HA -0.133 4.186 4.320 -0.001 0.000 0.218 326 A C 2.232 179.868 177.584 0.087 0.000 1.175 326 A CA 1.639 53.667 52.037 -0.015 0.000 0.628 326 A CB -0.478 18.579 19.000 0.095 0.000 0.814 326 A HN 0.505 nan 8.150 nan 0.000 0.444 327 L N -0.635 120.590 121.223 0.003 0.000 2.046 327 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 327 L C 2.532 179.418 176.870 0.026 0.000 1.077 327 L CA 1.042 55.901 54.840 0.031 0.000 0.747 327 L CB -0.481 41.577 42.059 -0.002 0.000 0.896 327 L HN 0.259 nan 8.230 nan 0.000 0.432 328 V N -1.221 118.629 119.914 -0.106 0.000 2.307 328 V HA -0.321 3.798 4.120 -0.001 0.000 0.245 328 V C 2.215 178.410 176.094 0.168 0.000 1.045 328 V CA 1.719 64.002 62.300 -0.028 0.000 1.024 328 V CB -0.678 31.040 31.823 -0.175 0.000 0.651 328 V HN 0.351 nan 8.190 nan 0.000 0.449 329 Y N 1.477 121.804 120.300 0.045 0.000 2.181 329 Y HA -0.181 4.368 4.550 -0.001 0.000 0.288 329 Y C 2.456 178.454 175.900 0.163 0.000 1.146 329 Y CA 0.989 59.160 58.100 0.117 0.000 1.164 329 Y CB -0.903 37.610 38.460 0.089 0.000 0.982 329 Y HN 0.166 nan 8.280 nan 0.000 0.515 330 A N 0.014 122.942 122.820 0.180 0.000 2.032 330 A HA -0.254 4.065 4.320 -0.001 0.000 0.221 330 A C 2.256 179.865 177.584 0.042 0.000 1.165 330 A CA 2.076 54.189 52.037 0.127 0.000 0.645 330 A CB -0.568 18.573 19.000 0.235 0.000 0.807 330 A HN 0.528 nan 8.150 nan 0.000 0.453 331 K N -0.646 119.793 120.400 0.064 0.000 2.167 331 K HA -0.020 4.299 4.320 -0.001 0.000 0.203 331 K C 1.896 178.512 176.600 0.027 0.000 1.052 331 K CA 1.289 57.604 56.287 0.048 0.000 0.956 331 K CB -0.147 32.398 32.500 0.075 0.000 0.735 331 K HN 0.547 nan 8.250 nan 0.000 0.451 332 V N -0.872 119.056 119.914 0.024 0.000 2.725 332 V HA 0.115 4.234 4.120 -0.001 0.000 0.247 332 V C 1.099 177.160 176.094 -0.054 0.000 1.058 332 V CA 0.151 62.466 62.300 0.025 0.000 1.080 332 V CB -0.279 31.616 31.823 0.119 0.000 0.713 332 V HN 0.114 nan 8.190 nan 0.000 0.465 333 I N 1.580 122.028 120.570 -0.203 0.000 2.634 333 I HA 0.091 4.260 4.170 -0.001 0.000 0.284 333 I C 1.170 177.226 176.117 -0.103 0.000 1.124 333 I CA 0.307 61.476 61.300 -0.218 0.000 1.417 333 I CB 0.802 38.549 38.000 -0.422 0.000 1.396 333 I HN 0.236 nan 8.210 nan 0.000 0.571 334 D N 4.161 124.523 120.400 -0.062 0.000 2.240 334 D HA -0.071 4.569 4.640 -0.001 0.000 0.206 334 D C 0.147 176.418 176.300 -0.048 0.000 0.963 334 D CA 0.535 54.511 54.000 -0.040 0.000 0.863 334 D CB 0.078 40.867 40.800 -0.018 0.000 0.973 334 D HN 0.569 nan 8.370 nan 0.000 0.501 335 D N 1.556 121.923 120.400 -0.055 0.000 2.426 335 D HA -0.037 4.602 4.640 -0.001 0.000 0.261 335 D C -1.601 174.650 176.300 -0.081 0.000 1.245 335 D CA -1.318 52.645 54.000 -0.061 0.000 0.917 335 D CB 1.775 42.538 40.800 -0.061 0.000 1.123 335 D HN -0.032 nan 8.370 nan 0.000 0.508 336 P HA -0.159 nan 4.420 nan 0.000 0.215 336 P C 1.583 178.834 177.300 -0.082 0.000 1.153 336 P CA 0.534 63.595 63.100 -0.065 0.000 0.853 336 P CB 0.344 32.016 31.700 -0.047 0.000 0.788 337 V N -0.162 119.699 119.914 -0.088 0.000 2.307 337 V HA -0.217 3.902 4.120 -0.001 0.000 0.245 337 V C 2.446 178.428 176.094 -0.187 0.000 1.045 337 V CA 1.790 64.028 62.300 -0.104 0.000 1.024 337 V CB -1.025 30.747 31.823 -0.084 0.000 0.651 337 V HN 0.042 nan 8.190 nan 0.000 0.449 338 R N 0.162 120.511 120.500 -0.251 0.000 2.081 338 R HA -0.178 4.162 4.340 -0.001 0.000 0.235 338 R C 2.444 178.412 176.300 -0.553 0.000 1.131 338 R CA 1.662 57.442 56.100 -0.534 0.000 0.960 338 R CB -0.369 29.684 30.300 -0.411 0.000 0.856 338 R HN 0.492 nan 8.270 nan 0.000 0.436 339 K N 1.151 121.405 120.400 -0.243 0.000 2.032 339 K HA -0.262 4.057 4.320 -0.001 0.000 0.209 339 K C 2.215 178.797 176.600 -0.029 0.000 1.048 339 K CA 1.769 57.997 56.287 -0.098 0.000 0.927 339 K CB -0.010 32.447 32.500 -0.072 0.000 0.712 339 K HN 0.151 nan 8.250 nan 0.000 0.441 340 Q N 0.701 120.466 119.800 -0.059 0.000 2.020 340 Q HA -0.224 4.116 4.340 -0.001 0.000 0.202 340 Q C 2.318 178.357 176.000 0.065 0.000 0.982 340 Q CA 1.538 57.347 55.803 0.012 0.000 0.838 340 Q CB -0.160 28.570 28.738 -0.014 0.000 0.899 340 Q HN 0.295 nan 8.270 nan 0.000 0.423 341 R N -0.761 119.709 120.500 -0.051 0.000 2.115 341 R HA -0.230 4.109 4.340 -0.001 0.000 0.239 341 R C 2.167 178.572 176.300 0.176 0.000 1.133 341 R CA 2.169 58.257 56.100 -0.020 0.000 0.935 341 R CB -0.514 29.654 30.300 -0.219 0.000 0.853 341 R HN 0.357 nan 8.270 nan 0.000 0.433 342 Y N 0.003 120.387 120.300 0.140 0.000 2.145 342 Y HA -0.246 4.303 4.550 -0.001 0.000 0.286 342 Y C 2.603 178.653 175.900 0.250 0.000 1.145 342 Y CA 1.422 59.626 58.100 0.173 0.000 1.148 342 Y CB -1.484 37.055 38.460 0.132 0.000 0.981 342 Y HN 0.369 nan 8.280 nan 0.000 0.507 343 H N 0.538 119.774 119.070 0.276 0.000 2.319 343 H HA -0.151 4.404 4.556 -0.001 0.000 0.299 343 H C 1.152 176.594 175.328 0.190 0.000 1.092 343 H CA 2.045 58.211 56.048 0.195 0.000 1.302 343 H CB -0.150 29.688 29.762 0.127 0.000 1.373 343 H HN 0.248 nan 8.280 nan 0.000 0.497 344 D N 0.020 120.613 120.400 0.321 0.000 2.178 344 D HA -0.131 4.508 4.640 -0.001 0.000 0.201 344 D C 2.083 178.486 176.300 0.172 0.000 0.980 344 D CA 0.804 54.944 54.000 0.234 0.000 0.842 344 D CB -0.737 40.206 40.800 0.238 0.000 0.948 344 D HN 0.394 nan 8.370 nan 0.000 0.472 345 F N 1.564 121.579 119.950 0.109 0.000 2.102 345 F HA -0.123 4.403 4.527 -0.001 0.000 0.298 345 F C 2.130 177.969 175.800 0.064 0.000 1.105 345 F CA 1.618 59.691 58.000 0.121 0.000 1.239 345 F CB -0.398 38.703 39.000 0.168 0.000 0.991 345 F HN -0.052 nan 8.300 nan 0.000 0.474 346 A N 0.385 123.096 122.820 -0.181 0.000 1.883 346 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 346 A C 2.301 179.718 177.584 -0.279 0.000 1.186 346 A CA 2.235 54.080 52.037 -0.322 0.000 0.624 346 A CB -1.474 17.453 19.000 -0.121 0.000 0.822 346 A HN 0.319 nan 8.150 nan 0.000 0.444 347 V N 0.025 119.808 119.914 -0.220 0.000 2.343 347 V HA -0.245 3.874 4.120 -0.001 0.000 0.247 347 V C 2.665 178.723 176.094 -0.060 0.000 1.051 347 V CA 2.381 64.594 62.300 -0.144 0.000 1.036 347 V CB -0.864 30.891 31.823 -0.113 0.000 0.654 347 V HN 0.646 nan 8.190 nan 0.000 0.451 348 R N 0.248 120.715 120.500 -0.054 0.000 2.081 348 R HA -0.139 4.200 4.340 -0.001 0.000 0.235 348 R C 2.300 178.593 176.300 -0.012 0.000 1.131 348 R CA 1.548 57.657 56.100 0.014 0.000 0.960 348 R CB -0.495 29.840 30.300 0.059 0.000 0.856 348 R HN 0.455 nan 8.270 nan 0.000 0.436 349 Q N 0.085 119.768 119.800 -0.196 0.000 2.079 349 Q HA -0.061 4.278 4.340 -0.001 0.000 0.200 349 Q C 2.034 178.006 176.000 -0.046 0.000 0.974 349 Q CA 1.144 56.828 55.803 -0.198 0.000 0.840 349 Q CB -0.167 28.298 28.738 -0.454 0.000 0.898 349 Q HN 0.359 nan 8.270 nan 0.000 0.430 350 I N 1.330 121.872 120.570 -0.046 0.000 2.315 350 I HA -0.190 3.979 4.170 -0.001 0.000 0.248 350 I C 1.601 177.758 176.117 0.068 0.000 1.117 350 I CA 0.882 62.215 61.300 0.056 0.000 1.404 350 I CB -1.109 36.885 38.000 -0.010 0.000 1.071 350 I HN 0.176 nan 8.210 nan 0.000 0.419 351 N N 0.499 119.234 118.700 0.058 0.000 2.223 351 N HA -0.228 4.511 4.740 -0.001 0.000 0.185 351 N C 1.847 177.300 175.510 -0.095 0.000 1.016 351 N CA 0.956 54.002 53.050 -0.008 0.000 0.863 351 N CB -0.605 38.015 38.487 0.220 0.000 0.983 351 N HN 0.359 nan 8.380 nan 0.000 0.429 352 Y N 1.422 121.686 120.300 -0.059 0.000 2.145 352 Y HA -0.138 4.411 4.550 -0.001 0.000 0.286 352 Y C 2.204 178.095 175.900 -0.016 0.000 1.145 352 Y CA 1.697 59.782 58.100 -0.025 0.000 1.148 352 Y CB -0.544 37.905 38.460 -0.019 0.000 0.981 352 Y HN 0.077 nan 8.280 nan 0.000 0.507 353 A N -0.160 122.801 122.820 0.235 0.000 2.015 353 A HA -0.096 4.223 4.320 -0.001 0.000 0.219 353 A C 2.082 179.688 177.584 0.037 0.000 1.163 353 A CA 1.617 53.762 52.037 0.179 0.000 0.646 353 A CB -0.980 18.055 19.000 0.059 0.000 0.806 353 A HN 0.540 nan 8.150 nan 0.000 0.448 354 L N -1.983 119.138 121.223 -0.171 0.000 2.558 354 L HA 0.233 4.573 4.340 -0.001 0.000 0.225 354 L C 1.657 178.227 176.870 -0.500 0.000 1.128 354 L CA 0.641 55.284 54.840 -0.329 0.000 0.868 354 L CB 0.111 41.815 42.059 -0.592 0.000 1.006 354 L HN 0.567 nan 8.230 nan 0.000 0.454 355 G N -0.973 107.560 108.800 -0.446 0.000 2.672 355 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.197 355 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.197 355 G C -0.010 174.829 174.900 -0.102 0.000 0.995 355 G CA -0.343 44.613 45.100 -0.239 0.000 0.754 355 G HN 0.203 nan 8.290 nan 0.000 0.505 356 D N 1.938 122.286 120.400 -0.088 0.000 2.608 356 D HA 0.441 5.080 4.640 -0.001 0.000 0.224 356 D C 0.523 176.720 176.300 -0.171 0.000 1.123 356 D CA 0.074 54.118 54.000 0.073 0.000 1.030 356 D CB -0.679 40.280 40.800 0.264 0.000 1.093 356 D HN 0.678 nan 8.370 nan 0.000 0.497 357 N N -0.329 118.205 118.700 -0.276 0.000 2.972 357 N HA 0.459 5.199 4.740 -0.001 0.000 0.262 357 N C -2.494 172.911 175.510 -0.175 0.000 1.478 357 N CA -1.323 51.461 53.050 -0.444 0.000 0.841 357 N CB 0.617 38.472 38.487 -1.053 0.000 1.512 357 N HN -0.286 nan 8.380 nan 0.000 0.548 358 P HA -0.004 nan 4.420 nan 0.000 0.222 358 P C 0.529 177.812 177.300 -0.028 0.000 1.147 358 P CA 1.082 64.173 63.100 -0.014 0.000 0.790 358 P CB 0.209 31.934 31.700 0.042 0.000 0.780 359 R N -1.674 118.791 120.500 -0.057 0.000 2.276 359 R HA 0.130 4.469 4.340 -0.001 0.000 0.196 359 R C 0.551 176.792 176.300 -0.099 0.000 0.961 359 R CA 0.043 56.108 56.100 -0.059 0.000 1.024 359 R CB -0.484 29.786 30.300 -0.050 0.000 0.940 359 R HN 0.124 nan 8.270 nan 0.000 0.480 360 N N 0.752 119.380 118.700 -0.120 0.000 2.714 360 N HA -0.141 4.598 4.740 -0.001 0.000 0.250 360 N C -1.278 174.150 175.510 -0.137 0.000 1.117 360 N CA 0.793 53.784 53.050 -0.099 0.000 0.719 360 N CB -0.435 38.017 38.487 -0.059 0.000 1.081 360 N HN 0.092 nan 8.380 nan 0.000 0.557 361 S N -0.448 115.106 115.700 -0.242 0.000 2.536 361 S HA 0.385 4.854 4.470 -0.001 0.000 0.298 361 S C -0.099 174.213 174.600 -0.480 0.000 1.083 361 S CA -0.564 57.444 58.200 -0.320 0.000 0.995 361 S CB 2.484 65.478 63.200 -0.342 0.000 1.058 361 S HN 0.279 nan 8.310 nan 0.000 0.488 362 S N 0.634 116.127 115.700 -0.345 0.000 2.576 362 S HA 0.277 4.746 4.470 -0.001 0.000 0.276 362 S C -0.535 173.789 174.600 -0.460 0.000 1.339 362 S CA -0.044 57.998 58.200 -0.264 0.000 1.039 362 S CB 0.069 63.248 63.200 -0.035 0.000 0.902 362 S HN 0.649 nan 8.310 nan 0.000 0.516 363 Y N 2.493 122.708 120.300 -0.141 0.000 2.636 363 Y HA 0.369 4.919 4.550 -0.001 0.000 0.260 363 Y C -0.123 175.674 175.900 -0.172 0.000 1.177 363 Y CA -0.289 57.679 58.100 -0.220 0.000 1.209 363 Y CB 0.610 38.908 38.460 -0.268 0.000 1.166 363 Y HN 0.351 nan 8.280 nan 0.000 0.531 364 V N 1.117 121.041 119.914 0.017 0.000 2.357 364 V HA 0.258 4.377 4.120 -0.001 0.000 0.284 364 V C 0.145 176.289 176.094 0.085 0.000 1.018 364 V CA -1.428 60.887 62.300 0.026 0.000 0.841 364 V CB 1.370 33.246 31.823 0.089 0.000 0.991 364 V HN -0.150 nan 8.190 nan 0.000 0.437 365 V N 4.600 124.537 119.914 0.038 0.000 2.617 365 V HA 0.309 4.429 4.120 -0.001 0.000 0.304 365 V C 1.552 177.699 176.094 0.089 0.000 1.040 365 V CA 1.453 63.775 62.300 0.036 0.000 1.149 365 V CB 0.301 32.126 31.823 0.003 0.000 0.914 365 V HN 1.331 nan 8.190 nan 0.000 0.487 366 G N 3.832 112.657 108.800 0.041 0.000 2.153 366 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.252 366 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.252 366 G C -0.343 174.756 174.900 0.331 0.000 0.994 366 G CA 0.608 45.779 45.100 0.119 0.000 0.698 366 G HN 0.959 nan 8.290 nan 0.000 0.521 367 F N 0.247 120.246 119.950 0.080 0.000 2.565 367 F HA 0.610 5.137 4.527 -0.001 0.000 0.313 367 F C 0.875 176.682 175.800 0.011 0.000 1.091 367 F CA 0.841 58.874 58.000 0.055 0.000 0.915 367 F CB 1.478 40.508 39.000 0.049 0.000 1.208 367 F HN 1.235 nan 8.300 nan 0.000 0.453 368 G N 4.095 112.219 108.800 -1.126 0.000 2.601 368 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.261 368 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.261 368 G C -0.945 173.770 174.900 -0.308 0.000 1.289 368 G CA 0.039 44.680 45.100 -0.765 0.000 0.920 368 G HN 1.088 nan 8.290 nan 0.000 0.571 369 N N 0.975 119.555 118.700 -0.199 0.000 2.472 369 N HA 0.322 5.061 4.740 -0.001 0.000 0.277 369 N C 0.801 176.235 175.510 -0.126 0.000 1.081 369 N CA 0.806 53.777 53.050 -0.132 0.000 0.973 369 N CB 0.250 38.679 38.487 -0.096 0.000 1.105 369 N HN 1.015 nan 8.380 nan 0.000 0.470 370 N N 1.799 120.439 118.700 -0.100 0.000 2.686 370 N HA -0.139 4.600 4.740 -0.001 0.000 0.261 370 N C -2.352 173.092 175.510 -0.112 0.000 1.001 370 N CA -0.304 52.693 53.050 -0.090 0.000 0.764 370 N CB -0.192 38.242 38.487 -0.088 0.000 0.898 370 N HN 0.492 nan 8.380 nan 0.000 0.544 371 P HA 0.276 nan 4.420 nan 0.000 0.274 371 P C -2.656 174.623 177.300 -0.035 0.000 1.246 371 P CA -0.956 62.095 63.100 -0.082 0.000 0.795 371 P CB 0.120 31.805 31.700 -0.026 0.000 1.006 372 P HA 0.222 nan 4.420 nan 0.000 0.268 372 P C 0.626 177.952 177.300 0.043 0.000 1.205 372 P CA 0.148 63.301 63.100 0.088 0.000 0.771 372 P CB 0.467 32.265 31.700 0.164 0.000 0.858 373 R N 1.357 121.881 120.500 0.041 0.000 2.316 373 R HA 0.182 4.521 4.340 -0.001 0.000 0.201 373 R C -0.018 176.290 176.300 0.013 0.000 0.888 373 R CA 0.253 56.357 56.100 0.007 0.000 1.041 373 R CB 0.292 30.592 30.300 -0.001 0.000 1.115 373 R HN 0.414 nan 8.270 nan 0.000 0.559 374 N N 2.042 120.763 118.700 0.034 0.000 2.818 374 N HA 0.191 4.931 4.740 -0.001 0.000 0.301 374 N C -2.696 172.858 175.510 0.074 0.000 1.821 374 N CA -1.202 51.866 53.050 0.030 0.000 0.930 374 N CB 1.268 39.748 38.487 -0.012 0.000 1.263 374 N HN 0.089 nan 8.380 nan 0.000 0.487 375 P HA -0.048 nan 4.420 nan 0.000 0.269 375 P C -0.150 177.298 177.300 0.247 0.000 1.215 375 P CA 0.058 63.266 63.100 0.180 0.000 0.780 375 P CB 0.808 32.602 31.700 0.156 0.000 0.898 376 H N 2.207 121.402 119.070 0.209 0.000 3.356 376 H HA 0.059 4.614 4.556 -0.001 0.000 0.260 376 H C -0.290 175.246 175.328 0.348 0.000 1.570 376 H CA 0.494 56.717 56.048 0.291 0.000 1.547 376 H CB -1.071 28.846 29.762 0.260 0.000 1.774 376 H HN 0.310 nan 8.280 nan 0.000 0.542 377 H N 3.934 123.083 119.070 0.133 0.000 2.934 377 H HA 0.189 4.744 4.556 -0.001 0.000 0.340 377 H C 0.554 175.769 175.328 -0.189 0.000 1.008 377 H CA -0.633 55.411 56.048 -0.006 0.000 1.317 377 H CB 0.915 30.741 29.762 0.108 0.000 1.670 377 H HN 0.643 nan 8.280 nan 0.000 0.516 378 R N 1.280 121.317 120.500 -0.772 0.000 2.082 378 R HA -0.105 4.234 4.340 -0.001 0.000 0.234 378 R C 1.571 177.678 176.300 -0.322 0.000 1.136 378 R CA 2.428 57.923 56.100 -1.007 0.000 0.935 378 R CB -0.057 29.514 30.300 -1.216 0.000 0.842 378 R HN 0.496 nan 8.270 nan 0.000 0.430 379 T N 0.576 115.097 114.554 -0.055 0.000 2.821 379 T HA -0.060 4.289 4.350 -0.001 0.000 0.267 379 T C 1.877 176.785 174.700 0.346 0.000 1.046 379 T CA 1.177 63.417 62.100 0.234 0.000 1.139 379 T CB -0.161 68.937 68.868 0.385 0.000 0.871 379 T HN 0.369 nan 8.240 nan 0.000 0.454 380 A N 0.992 124.088 122.820 0.460 0.000 1.930 380 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 380 A C 2.073 179.656 177.584 -0.003 0.000 1.175 380 A CA 1.577 53.622 52.037 0.013 0.000 0.627 380 A CB -0.903 18.084 19.000 -0.023 0.000 0.815 380 A HN 0.711 nan 8.150 nan 0.000 0.443 381 H N -0.735 118.341 119.070 0.011 0.000 2.293 381 H HA 0.017 4.572 4.556 -0.001 0.000 0.300 381 H C 1.499 176.771 175.328 -0.094 0.000 1.082 381 H CA 1.149 57.194 56.048 -0.006 0.000 1.308 381 H CB -0.202 29.671 29.762 0.185 0.000 1.375 381 H HN 0.622 nan 8.280 nan 0.000 0.495 382 G N 0.971 109.689 108.800 -0.136 0.000 2.182 382 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.248 382 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.248 382 G C 0.095 174.885 174.900 -0.182 0.000 1.042 382 G CA 0.720 45.711 45.100 -0.181 0.000 0.775 382 G HN 0.599 nan 8.290 nan 0.000 0.501 383 S N -0.840 114.672 115.700 -0.314 0.000 2.572 383 S HA 0.422 4.891 4.470 -0.001 0.000 0.279 383 S C 1.103 175.665 174.600 -0.063 0.000 1.341 383 S CA 0.842 58.849 58.200 -0.322 0.000 1.043 383 S CB 0.194 63.324 63.200 -0.117 0.000 0.887 383 S HN 1.220 nan 8.310 nan 0.000 0.516 384 W N 2.138 123.333 121.300 -0.175 0.000 2.714 384 W HA 0.329 4.988 4.660 -0.001 0.000 0.353 384 W C 0.819 177.206 176.519 -0.219 0.000 0.999 384 W CA 0.127 57.374 57.345 -0.163 0.000 1.629 384 W CB -0.722 28.622 29.460 -0.194 0.000 1.106 384 W HN 0.638 nan 8.180 nan 0.000 0.545 385 T N -3.145 111.157 114.554 -0.419 0.000 3.182 385 T HA 0.121 4.470 4.350 -0.001 0.000 0.277 385 T C 0.414 175.038 174.700 -0.125 0.000 1.013 385 T CA 0.343 62.267 62.100 -0.292 0.000 0.900 385 T CB -0.354 68.246 68.868 -0.446 0.000 1.098 385 T HN 0.053 nan 8.240 nan 0.000 0.543 386 D N 0.854 121.195 120.400 -0.098 0.000 2.723 386 D HA -0.173 4.466 4.640 -0.001 0.000 0.236 386 D C -0.485 175.791 176.300 -0.040 0.000 1.138 386 D CA 0.996 54.954 54.000 -0.070 0.000 0.676 386 D CB -1.437 39.402 40.800 0.065 0.000 1.069 386 D HN 0.613 nan 8.370 nan 0.000 0.430 387 S N -0.134 115.521 115.700 -0.074 0.000 2.614 387 S HA 0.485 4.954 4.470 -0.001 0.000 0.288 387 S C 0.781 175.212 174.600 -0.282 0.000 1.137 387 S CA -0.720 57.380 58.200 -0.167 0.000 0.992 387 S CB 1.225 64.316 63.200 -0.183 0.000 1.026 387 S HN 0.264 nan 8.310 nan 0.000 0.486 388 I N 4.437 124.600 120.570 -0.679 0.000 3.001 388 I HA 0.089 4.258 4.170 -0.001 0.000 0.268 388 I C 1.748 177.522 176.117 -0.571 0.000 1.267 388 I CA 1.167 61.765 61.300 -1.170 0.000 1.472 388 I CB -0.135 36.958 38.000 -1.511 0.000 1.089 388 I HN 0.775 nan 8.210 nan 0.000 0.468 389 A N -0.750 121.877 122.820 -0.322 0.000 2.147 389 A HA 0.247 4.566 4.320 -0.001 0.000 0.211 389 A C 0.914 178.432 177.584 -0.110 0.000 1.160 389 A CA 0.216 52.128 52.037 -0.209 0.000 0.781 389 A CB 0.040 18.934 19.000 -0.178 0.000 0.842 389 A HN 0.359 nan 8.150 nan 0.000 0.475 390 S N 1.205 116.848 115.700 -0.095 0.000 2.532 390 S HA 0.557 5.026 4.470 -0.001 0.000 0.299 390 S C -2.947 171.448 174.600 -0.343 0.000 1.105 390 S CA -1.148 56.938 58.200 -0.189 0.000 1.018 390 S CB 2.357 65.362 63.200 -0.326 0.000 1.021 390 S HN 0.229 nan 8.310 nan 0.000 0.483 391 P HA 0.240 nan 4.420 nan 0.000 0.274 391 P C 0.545 177.892 177.300 0.078 0.000 1.256 391 P CA -0.340 62.684 63.100 -0.127 0.000 0.795 391 P CB 0.640 32.308 31.700 -0.053 0.000 1.038 392 A N 1.234 124.069 122.820 0.026 0.000 1.892 392 A HA -0.149 4.170 4.320 -0.001 0.000 0.218 392 A C 1.036 178.643 177.584 0.040 0.000 1.188 392 A CA 1.599 53.647 52.037 0.017 0.000 0.631 392 A CB -0.697 18.301 19.000 -0.002 0.000 0.822 392 A HN 0.577 nan 8.150 nan 0.000 0.447 393 E N 0.403 120.640 120.200 0.060 0.000 2.202 393 E HA 0.297 4.646 4.350 -0.001 0.000 0.272 393 E C -1.101 175.568 176.600 0.115 0.000 0.951 393 E CA -0.972 55.462 56.400 0.057 0.000 0.813 393 E CB 0.506 30.224 29.700 0.029 0.000 1.151 393 E HN 0.272 nan 8.360 nan 0.000 0.398 394 N N 0.983 119.746 118.700 0.105 0.000 2.458 394 N HA -0.000 4.739 4.740 -0.001 0.000 0.258 394 N C 0.923 176.392 175.510 -0.068 0.000 1.219 394 N CA 0.268 53.385 53.050 0.112 0.000 0.902 394 N CB 0.514 39.023 38.487 0.037 0.000 1.076 394 N HN 0.275 nan 8.380 nan 0.000 0.455 395 R N 0.873 121.224 120.500 -0.249 0.000 2.236 395 R HA 0.056 4.396 4.340 -0.001 0.000 0.208 395 R C -0.099 175.818 176.300 -0.639 0.000 1.036 395 R CA 0.733 56.577 56.100 -0.427 0.000 1.001 395 R CB 0.017 29.941 30.300 -0.627 0.000 0.896 395 R HN 0.575 nan 8.270 nan 0.000 0.464 396 H N -0.960 117.861 119.070 -0.414 0.000 2.747 396 H HA 0.285 4.840 4.556 -0.001 0.000 0.371 396 H C -0.798 174.237 175.328 -0.488 0.000 1.161 396 H CA -1.033 54.598 56.048 -0.696 0.000 1.167 396 H CB 1.961 30.647 29.762 -1.793 0.000 1.732 396 H HN -0.261 nan 8.280 nan 0.000 0.544 397 V N 3.132 122.910 119.914 -0.226 0.000 2.348 397 V HA 0.017 4.136 4.120 -0.001 0.000 0.270 397 V C 0.499 176.512 176.094 -0.135 0.000 1.037 397 V CA -0.597 61.531 62.300 -0.287 0.000 0.872 397 V CB 1.042 32.519 31.823 -0.577 0.000 1.002 397 V HN 0.408 nan 8.190 nan 0.000 0.464 398 L N 7.709 128.916 121.223 -0.026 0.000 2.437 398 L HA 0.349 4.688 4.340 -0.001 0.000 0.243 398 L C -0.117 176.917 176.870 0.273 0.000 1.346 398 L CA 0.012 55.009 54.840 0.262 0.000 1.233 398 L CB -1.144 40.974 42.059 0.099 0.000 1.436 398 L HN 0.511 nan 8.230 nan 0.000 0.416 399 Y N 2.115 122.686 120.300 0.451 0.000 2.904 399 Y HA 0.240 4.789 4.550 -0.001 0.000 0.336 399 Y C 1.765 177.890 175.900 0.376 0.000 1.263 399 Y CA 1.265 59.569 58.100 0.341 0.000 1.547 399 Y CB 0.162 38.755 38.460 0.221 0.000 1.272 399 Y HN 0.684 nan 8.280 nan 0.000 0.596 400 G N 1.054 110.074 108.800 0.366 0.000 2.205 400 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.261 400 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.261 400 G C 0.299 175.180 174.900 -0.032 0.000 0.980 400 G CA -0.111 45.120 45.100 0.219 0.000 0.632 400 G HN 1.134 nan 8.290 nan 0.000 0.533 401 A N 0.207 122.915 122.820 -0.187 0.000 2.454 401 A HA 0.664 4.983 4.320 -0.001 0.000 0.260 401 A C 0.254 177.619 177.584 -0.365 0.000 1.106 401 A CA 0.174 51.818 52.037 -0.655 0.000 0.780 401 A CB 0.675 19.324 19.000 -0.585 0.000 1.044 401 A HN 1.492 nan 8.150 nan 0.000 0.498 402 L N 5.188 126.155 121.223 -0.428 0.000 2.290 402 L HA 0.500 4.840 4.340 -0.001 0.000 0.284 402 L C 0.342 177.145 176.870 -0.112 0.000 1.078 402 L CA -0.064 54.563 54.840 -0.355 0.000 0.815 402 L CB 0.982 42.652 42.059 -0.649 0.000 1.162 402 L HN 0.686 nan 8.230 nan 0.000 0.435 403 V N 3.022 122.914 119.914 -0.037 0.000 3.336 403 V HA 0.589 4.708 4.120 -0.001 0.000 0.304 403 V C 1.349 177.477 176.094 0.056 0.000 1.073 403 V CA 0.249 62.620 62.300 0.119 0.000 1.074 403 V CB 0.469 32.400 31.823 0.180 0.000 1.161 403 V HN 0.832 nan 8.190 nan 0.000 0.460 404 G N 0.137 109.049 108.800 0.187 0.000 2.440 404 G HA2 0.338 4.297 3.960 -0.001 0.000 0.218 404 G HA3 0.338 4.297 3.960 -0.001 0.000 0.218 404 G C 1.080 175.891 174.900 -0.149 0.000 1.154 404 G CA 1.025 46.133 45.100 0.015 0.000 0.767 404 G HN 2.166 nan 8.290 nan 0.000 0.552 405 G N -0.657 108.088 108.800 -0.092 0.000 2.681 405 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.220 405 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.220 405 G C -2.768 172.051 174.900 -0.135 0.000 1.353 405 G CA -0.405 44.481 45.100 -0.356 0.000 0.872 405 G HN 0.398 nan 8.290 nan 0.000 0.557 406 P HA 0.293 nan 4.420 nan 0.000 0.262 406 P C 0.949 178.174 177.300 -0.125 0.000 1.199 406 P CA 1.089 64.147 63.100 -0.071 0.000 0.763 406 P CB 0.564 32.223 31.700 -0.068 0.000 0.790 407 G N 1.874 110.606 108.800 -0.114 0.000 3.042 407 G HA2 0.071 4.031 3.960 -0.001 0.000 0.212 407 G HA3 0.071 4.031 3.960 -0.001 0.000 0.212 407 G C 0.120 174.927 174.900 -0.155 0.000 1.166 407 G CA 0.133 45.133 45.100 -0.166 0.000 0.767 407 G HN 0.470 nan 8.290 nan 0.000 0.546 408 S N 0.164 115.792 115.700 -0.119 0.000 2.570 408 S HA 0.486 4.955 4.470 -0.001 0.000 0.286 408 S C -2.735 171.811 174.600 -0.090 0.000 1.099 408 S CA -0.949 57.190 58.200 -0.103 0.000 0.913 408 S CB 2.777 65.928 63.200 -0.082 0.000 1.085 408 S HN -0.018 nan 8.310 nan 0.000 0.480 409 P HA 0.150 nan 4.420 nan 0.000 0.232 409 P C -0.427 176.857 177.300 -0.026 0.000 1.738 409 P CA 0.134 63.190 63.100 -0.073 0.000 0.948 409 P CB -0.856 30.799 31.700 -0.074 0.000 1.943 410 N N -0.483 118.210 118.700 -0.011 0.000 2.116 410 N HA -0.019 4.720 4.740 -0.001 0.000 0.230 410 N C 0.109 175.653 175.510 0.057 0.000 1.326 410 N CA -0.334 52.728 53.050 0.019 0.000 0.867 410 N CB -0.444 38.047 38.487 0.007 0.000 1.174 410 N HN -0.144 nan 8.380 nan 0.000 0.506 411 D N -0.786 119.662 120.400 0.079 0.000 3.077 411 D HA -0.193 4.447 4.640 -0.001 0.000 0.217 411 D C -0.176 176.224 176.300 0.166 0.000 1.162 411 D CA 1.259 55.358 54.000 0.166 0.000 0.943 411 D CB -1.407 39.514 40.800 0.201 0.000 1.122 411 D HN 0.650 nan 8.370 nan 0.000 0.413 412 A N 0.154 123.043 122.820 0.115 0.000 2.354 412 A HA 0.550 4.869 4.320 -0.001 0.000 0.269 412 A C -0.441 177.265 177.584 0.204 0.000 1.109 412 A CA -0.150 51.961 52.037 0.123 0.000 0.800 412 A CB 0.838 19.870 19.000 0.053 0.000 1.045 412 A HN 0.323 nan 8.150 nan 0.000 0.489 413 Y N 0.292 120.628 120.300 0.061 0.000 2.521 413 Y HA 0.511 5.060 4.550 -0.001 0.000 0.328 413 Y C -0.894 175.036 175.900 0.050 0.000 1.151 413 Y CA -0.282 57.865 58.100 0.077 0.000 1.054 413 Y CB 1.544 40.135 38.460 0.220 0.000 1.338 413 Y HN 0.621 nan 8.280 nan 0.000 0.453 414 T N 4.694 118.794 114.554 -0.756 0.000 2.881 414 T HA 0.153 4.502 4.350 -0.001 0.000 0.291 414 T C -1.617 172.532 174.700 -0.918 0.000 0.990 414 T CA -0.628 61.109 62.100 -0.606 0.000 0.976 414 T CB 1.008 69.694 68.868 -0.303 0.000 0.970 414 T HN 0.588 nan 8.240 nan 0.000 0.438 415 D N 3.125 123.175 120.400 -0.583 0.000 2.398 415 D HA 0.183 4.822 4.640 -0.001 0.000 0.250 415 D C -0.656 175.535 176.300 -0.183 0.000 1.287 415 D CA 0.104 53.940 54.000 -0.273 0.000 0.992 415 D CB 0.165 40.978 40.800 0.022 0.000 1.071 415 D HN 0.365 nan 8.370 nan 0.000 0.514 416 D N 2.290 122.576 120.400 -0.190 0.000 2.575 416 D HA 0.132 4.771 4.640 -0.001 0.000 0.250 416 D C 0.879 177.137 176.300 -0.070 0.000 1.279 416 D CA -0.641 53.281 54.000 -0.131 0.000 0.925 416 D CB 1.015 41.718 40.800 -0.162 0.000 1.261 416 D HN 0.262 nan 8.370 nan 0.000 0.567 417 R N 2.490 122.956 120.500 -0.056 0.000 2.170 417 R HA -0.138 4.201 4.340 -0.001 0.000 0.242 417 R C 1.113 177.444 176.300 0.051 0.000 1.145 417 R CA 1.586 57.680 56.100 -0.011 0.000 0.984 417 R CB 0.216 30.430 30.300 -0.143 0.000 0.869 417 R HN 0.540 nan 8.270 nan 0.000 0.455 418 Q N -0.228 119.545 119.800 -0.046 0.000 2.444 418 Q HA -0.048 4.291 4.340 -0.001 0.000 0.206 418 Q C -0.410 175.584 176.000 -0.010 0.000 0.948 418 Q CA 0.129 55.920 55.803 -0.019 0.000 0.946 418 Q CB 0.315 28.989 28.738 -0.106 0.000 1.027 418 Q HN 0.164 nan 8.270 nan 0.000 0.513 419 D N -0.067 120.297 120.400 -0.060 0.000 2.456 419 D HA 0.001 4.640 4.640 -0.001 0.000 0.219 419 D C 0.283 176.500 176.300 -0.139 0.000 1.126 419 D CA -0.623 53.255 54.000 -0.203 0.000 0.890 419 D CB 0.311 40.992 40.800 -0.198 0.000 1.025 419 D HN 0.182 nan 8.370 nan 0.000 0.511 420 Y N 1.801 122.069 120.300 -0.054 0.000 2.616 420 Y HA 0.060 4.609 4.550 -0.001 0.000 0.296 420 Y C 1.403 177.378 175.900 0.126 0.000 1.154 420 Y CA -0.155 57.868 58.100 -0.129 0.000 1.325 420 Y CB -0.537 37.767 38.460 -0.259 0.000 1.007 420 Y HN 0.130 nan 8.280 nan 0.000 0.542 421 V N 0.830 120.721 119.914 -0.037 0.000 2.278 421 V HA -0.104 4.016 4.120 -0.001 0.000 0.238 421 V C 2.643 178.777 176.094 0.066 0.000 1.039 421 V CA 1.720 64.017 62.300 -0.004 0.000 1.017 421 V CB -1.079 30.545 31.823 -0.332 0.000 0.657 421 V HN 0.491 nan 8.190 nan 0.000 0.462 422 A N -0.016 122.812 122.820 0.014 0.000 1.929 422 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 422 A C 1.747 179.502 177.584 0.285 0.000 1.176 422 A CA 1.809 53.937 52.037 0.152 0.000 0.628 422 A CB -0.462 18.584 19.000 0.077 0.000 0.816 422 A HN 0.562 nan 8.150 nan 0.000 0.444 423 N N -0.165 118.656 118.700 0.203 0.000 2.235 423 N HA 0.140 4.879 4.740 -0.001 0.000 0.209 423 N C -0.021 175.656 175.510 0.279 0.000 1.122 423 N CA 0.007 53.210 53.050 0.254 0.000 0.845 423 N CB 0.183 38.785 38.487 0.191 0.000 1.004 423 N HN 0.583 nan 8.380 nan 0.000 0.499 424 E N 0.731 121.102 120.200 0.285 0.000 2.383 424 E HA 0.247 4.596 4.350 -0.001 0.000 0.264 424 E C -0.369 176.369 176.600 0.230 0.000 1.050 424 E CA -0.473 56.084 56.400 0.263 0.000 0.896 424 E CB 0.750 30.619 29.700 0.283 0.000 0.982 424 E HN 0.024 nan 8.360 nan 0.000 0.424 425 V N 0.244 120.200 119.914 0.070 0.000 3.040 425 V HA 1.038 5.158 4.120 -0.001 0.000 0.312 425 V C -0.523 175.427 176.094 -0.240 0.000 1.115 425 V CA -0.454 61.814 62.300 -0.054 0.000 0.998 425 V CB 1.231 33.127 31.823 0.122 0.000 1.042 425 V HN 0.937 nan 8.190 nan 0.000 0.433 426 A N 1.335 123.991 122.820 -0.273 0.000 2.597 426 A HA 0.694 5.013 4.320 -0.001 0.000 0.292 426 A C 0.569 178.274 177.584 0.202 0.000 1.057 426 A CA 0.094 52.074 52.037 -0.094 0.000 0.674 426 A CB 0.933 19.681 19.000 -0.420 0.000 1.278 426 A HN 1.900 nan 8.150 nan 0.000 0.416 427 T N -1.335 113.368 114.554 0.248 0.000 2.788 427 T HA -0.170 4.179 4.350 -0.001 0.000 0.268 427 T C 1.168 176.128 174.700 0.433 0.000 1.044 427 T CA 2.133 64.413 62.100 0.301 0.000 1.139 427 T CB -0.518 68.503 68.868 0.255 0.000 0.867 427 T HN 0.817 nan 8.240 nan 0.000 0.454 428 D N -0.248 120.403 120.400 0.418 0.000 2.269 428 D HA -0.154 4.485 4.640 -0.001 0.000 0.208 428 D C 1.602 178.232 176.300 0.549 0.000 0.963 428 D CA 0.561 54.881 54.000 0.533 0.000 0.864 428 D CB -0.453 40.712 40.800 0.609 0.000 0.936 428 D HN 0.351 nan 8.370 nan 0.000 0.505 429 Y N 1.394 121.833 120.300 0.231 0.000 2.224 429 Y HA -0.060 4.489 4.550 -0.001 0.000 0.289 429 Y C 1.800 177.748 175.900 0.081 0.000 1.146 429 Y CA 0.930 59.087 58.100 0.096 0.000 1.182 429 Y CB -0.734 37.722 38.460 -0.006 0.000 0.983 429 Y HN 0.030 nan 8.280 nan 0.000 0.524 430 N N -0.796 118.090 118.700 0.310 0.000 2.353 430 N HA 0.106 4.845 4.740 -0.001 0.000 0.185 430 N C 1.730 177.512 175.510 0.454 0.000 1.098 430 N CA 0.612 53.860 53.050 0.331 0.000 0.872 430 N CB -0.056 38.536 38.487 0.176 0.000 0.970 430 N HN 0.235 nan 8.380 nan 0.000 0.467 431 A N 0.391 123.465 122.820 0.423 0.000 1.828 431 A HA -0.004 4.315 4.320 -0.001 0.000 0.215 431 A C 2.289 179.943 177.584 0.117 0.000 1.203 431 A CA 1.864 54.066 52.037 0.276 0.000 0.614 431 A CB -1.322 17.823 19.000 0.241 0.000 0.844 431 A HN 0.316 nan 8.150 nan 0.000 0.445 432 G N -1.697 107.199 108.800 0.160 0.000 2.408 432 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.217 432 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.217 432 G C 1.445 176.363 174.900 0.030 0.000 1.150 432 G CA 1.104 46.243 45.100 0.064 0.000 0.776 432 G HN 0.419 nan 8.290 nan 0.000 0.542 433 F N 2.459 122.398 119.950 -0.018 0.000 2.095 433 F HA -0.133 4.393 4.527 -0.001 0.000 0.298 433 F C 2.859 178.612 175.800 -0.079 0.000 1.104 433 F CA 1.803 59.776 58.000 -0.044 0.000 1.232 433 F CB -0.408 38.578 39.000 -0.024 0.000 0.987 433 F HN 0.161 nan 8.300 nan 0.000 0.475 434 S N -0.434 115.227 115.700 -0.065 0.000 2.356 434 S HA -0.176 4.294 4.470 -0.001 0.000 0.223 434 S C 2.196 176.626 174.600 -0.283 0.000 1.032 434 S CA 1.393 59.499 58.200 -0.157 0.000 1.005 434 S CB -0.585 62.679 63.200 0.107 0.000 0.867 434 S HN 0.421 nan 8.310 nan 0.000 0.449 435 S N 1.779 117.249 115.700 -0.384 0.000 2.382 435 S HA -0.062 4.407 4.470 -0.001 0.000 0.228 435 S C 2.240 176.550 174.600 -0.483 0.000 1.027 435 S CA 0.991 58.783 58.200 -0.680 0.000 0.991 435 S CB -0.506 61.654 63.200 -1.735 0.000 0.823 435 S HN 0.605 nan 8.310 nan 0.000 0.469 436 A N 1.567 124.187 122.820 -0.335 0.000 1.873 436 A HA 0.016 4.335 4.320 -0.001 0.000 0.215 436 A C 2.111 179.541 177.584 -0.257 0.000 1.186 436 A CA 1.088 53.058 52.037 -0.112 0.000 0.616 436 A CB -0.767 18.184 19.000 -0.082 0.000 0.823 436 A HN 0.443 nan 8.150 nan 0.000 0.442 437 L N -0.709 120.268 121.223 -0.412 0.000 2.042 437 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 437 L C 3.084 179.745 176.870 -0.349 0.000 1.076 437 L CA 1.164 55.747 54.840 -0.429 0.000 0.749 437 L CB -0.567 41.180 42.059 -0.519 0.000 0.893 437 L HN 0.465 nan 8.230 nan 0.000 0.432 438 A N -0.478 122.109 122.820 -0.389 0.000 1.933 438 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 438 A C 2.327 179.797 177.584 -0.189 0.000 1.175 438 A CA 1.434 53.227 52.037 -0.406 0.000 0.628 438 A CB -0.314 18.351 19.000 -0.559 0.000 0.814 438 A HN 0.281 nan 8.150 nan 0.000 0.444 439 M N -0.500 119.030 119.600 -0.116 0.000 2.132 439 M HA -0.047 4.432 4.480 -0.001 0.000 0.263 439 M C 2.138 178.390 176.300 -0.081 0.000 1.065 439 M CA 1.268 56.547 55.300 -0.036 0.000 1.122 439 M CB -1.143 31.478 32.600 0.035 0.000 1.365 439 M HN 0.394 nan 8.290 nan 0.000 0.411 440 L N -0.711 120.408 121.223 -0.173 0.000 2.141 440 L HA -0.134 4.205 4.340 -0.001 0.000 0.209 440 L C 2.512 179.327 176.870 -0.090 0.000 1.094 440 L CA 0.498 55.202 54.840 -0.227 0.000 0.763 440 L CB -0.685 40.925 42.059 -0.748 0.000 0.908 440 L HN 0.064 nan 8.230 nan 0.000 0.437 441 V N 0.020 119.888 119.914 -0.076 0.000 2.343 441 V HA -0.292 3.827 4.120 -0.001 0.000 0.247 441 V C 2.504 178.616 176.094 0.031 0.000 1.051 441 V CA 1.948 64.274 62.300 0.042 0.000 1.036 441 V CB -0.410 31.398 31.823 -0.025 0.000 0.654 441 V HN 0.503 nan 8.190 nan 0.000 0.451 442 E N -0.214 119.974 120.200 -0.019 0.000 2.118 442 E HA -0.289 4.061 4.350 -0.001 0.000 0.195 442 E C 2.232 178.806 176.600 -0.044 0.000 0.992 442 E CA 1.769 58.160 56.400 -0.015 0.000 0.804 442 E CB 0.041 29.735 29.700 -0.011 0.000 0.741 442 E HN 0.742 nan 8.360 nan 0.000 0.458 443 E N -1.179 118.960 120.200 -0.101 0.000 2.042 443 E HA -0.114 4.236 4.350 -0.001 0.000 0.189 443 E C 1.426 177.827 176.600 -0.331 0.000 0.974 443 E CA 0.694 56.928 56.400 -0.276 0.000 0.806 443 E CB 0.064 29.490 29.700 -0.456 0.000 0.769 443 E HN 0.314 nan 8.360 nan 0.000 0.451 444 Y N -0.322 120.030 120.300 0.087 0.000 2.497 444 Y HA 0.297 4.847 4.550 -0.001 0.000 0.265 444 Y C 1.180 177.170 175.900 0.150 0.000 1.111 444 Y CA 0.371 58.562 58.100 0.152 0.000 1.288 444 Y CB 0.832 39.462 38.460 0.283 0.000 1.082 444 Y HN 0.246 nan 8.280 nan 0.000 0.536 445 G N -0.065 108.889 108.800 0.255 0.000 2.632 445 G HA2 0.270 4.229 3.960 -0.001 0.000 0.224 445 G HA3 0.270 4.229 3.960 -0.001 0.000 0.224 445 G C -0.007 175.014 174.900 0.201 0.000 1.341 445 G CA -0.226 44.981 45.100 0.178 0.000 0.880 445 G HN 1.117 nan 8.290 nan 0.000 0.566 446 G N -3.077 105.795 108.800 0.119 0.000 2.333 446 G HA2 0.654 4.613 3.960 -0.001 0.000 0.330 446 G HA3 0.654 4.613 3.960 -0.001 0.000 0.330 446 G C -0.454 174.481 174.900 0.059 0.000 1.465 446 G CA 0.586 45.736 45.100 0.083 0.000 0.996 446 G HN 2.749 nan 8.290 nan 0.000 0.655 447 T N -0.065 114.515 114.554 0.042 0.000 2.848 447 T HA 0.827 5.176 4.350 -0.001 0.000 0.285 447 T C -2.595 172.122 174.700 0.028 0.000 0.995 447 T CA -1.574 60.548 62.100 0.036 0.000 0.970 447 T CB 2.867 71.754 68.868 0.030 0.000 0.976 447 T HN 0.583 nan 8.240 nan 0.000 0.441 448 P HA 0.299 nan 4.420 nan 0.000 0.274 448 P C -0.388 176.920 177.300 0.013 0.000 1.237 448 P CA -0.709 62.397 63.100 0.010 0.000 0.793 448 P CB 0.936 32.657 31.700 0.035 0.000 0.977 449 L N 1.351 122.566 121.223 -0.014 0.000 2.367 449 L HA 0.154 4.493 4.340 -0.001 0.000 0.275 449 L C 1.953 178.862 176.870 0.065 0.000 1.129 449 L CA -0.399 54.452 54.840 0.018 0.000 0.839 449 L CB 0.541 42.602 42.059 0.004 0.000 1.133 449 L HN 0.452 nan 8.230 nan 0.000 0.453 450 A N 2.963 125.819 122.820 0.059 0.000 1.883 450 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 450 A C 0.808 178.439 177.584 0.080 0.000 1.186 450 A CA 1.559 53.637 52.037 0.068 0.000 0.624 450 A CB -0.325 18.704 19.000 0.050 0.000 0.822 450 A HN 0.836 nan 8.150 nan 0.000 0.444 451 D N -1.758 118.686 120.400 0.074 0.000 2.479 451 D HA 0.463 5.103 4.640 -0.001 0.000 0.247 451 D C -0.922 175.428 176.300 0.083 0.000 1.119 451 D CA -0.376 53.661 54.000 0.062 0.000 0.922 451 D CB 0.256 41.076 40.800 0.033 0.000 1.014 451 D HN 0.159 nan 8.370 nan 0.000 0.510 452 F N 1.991 121.890 119.950 -0.086 0.000 2.581 452 F HA 0.563 5.089 4.527 -0.001 0.000 0.311 452 F C -2.776 172.934 175.800 -0.150 0.000 1.113 452 F CA -1.839 56.054 58.000 -0.178 0.000 0.935 452 F CB 1.893 40.766 39.000 -0.211 0.000 1.232 452 F HN -0.052 nan 8.300 nan 0.000 0.445 453 P HA 0.454 nan 4.420 nan 0.000 0.276 453 P C -2.748 174.206 177.300 -0.576 0.000 1.244 453 P CA -1.212 60.982 63.100 -1.510 0.000 0.801 453 P CB 0.245 31.237 31.700 -1.179 0.000 1.006 454 P HA 0.173 nan 4.420 nan 0.000 0.274 454 P C -0.661 176.633 177.300 -0.011 0.000 1.231 454 P CA -0.097 62.935 63.100 -0.114 0.000 0.790 454 P CB 0.299 31.995 31.700 -0.006 0.000 0.951 455 T N 2.100 116.677 114.554 0.039 0.000 2.762 455 T HA 0.178 4.527 4.350 -0.001 0.000 0.303 455 T C 0.070 174.854 174.700 0.140 0.000 0.977 455 T CA -0.445 61.712 62.100 0.095 0.000 0.961 455 T CB -0.073 68.830 68.868 0.060 0.000 0.944 455 T HN 0.327 nan 8.240 nan 0.000 0.481 456 E N 2.778 123.131 120.200 0.255 0.000 2.392 456 E HA 0.203 4.552 4.350 -0.001 0.000 0.259 456 E C 0.381 177.036 176.600 0.092 0.000 1.108 456 E CA -0.381 56.184 56.400 0.275 0.000 0.916 456 E CB 0.756 30.799 29.700 0.572 0.000 0.989 456 E HN 0.705 nan 8.360 nan 0.000 0.432 457 E N 1.387 121.528 120.200 -0.099 0.000 2.256 457 E HA 0.458 4.807 4.350 -0.001 0.000 0.267 457 E C -2.658 173.455 176.600 -0.811 0.000 0.892 457 E CA -2.539 53.654 56.400 -0.345 0.000 0.775 457 E CB 1.189 30.772 29.700 -0.196 0.000 1.207 457 E HN 0.076 nan 8.360 nan 0.000 0.420 458 P HA -0.035 nan 4.420 nan 0.000 0.267 458 P C -0.246 176.555 177.300 -0.832 0.000 1.201 458 P CA 0.016 62.144 63.100 -1.619 0.000 0.775 458 P CB 0.399 31.621 31.700 -0.797 0.000 0.854 459 D N 0.447 120.465 120.400 -0.637 0.000 2.319 459 D HA 0.233 4.872 4.640 -0.001 0.000 0.230 459 D C 0.787 176.997 176.300 -0.150 0.000 1.094 459 D CA -0.066 53.819 54.000 -0.192 0.000 0.856 459 D CB -0.300 40.531 40.800 0.051 0.000 0.915 459 D HN 0.485 nan 8.370 nan 0.000 0.517 460 G N -0.473 108.202 108.800 -0.208 0.000 2.343 460 G HA2 0.263 4.222 3.960 -0.001 0.000 0.289 460 G HA3 0.263 4.222 3.960 -0.001 0.000 0.289 460 G C -3.003 171.781 174.900 -0.193 0.000 1.295 460 G CA -1.129 43.855 45.100 -0.194 0.000 0.869 460 G HN -0.005 nan 8.290 nan 0.000 0.522 461 P HA 0.313 nan 4.420 nan 0.000 0.268 461 P C 0.374 177.644 177.300 -0.050 0.000 1.205 461 P CA 0.118 63.105 63.100 -0.188 0.000 0.771 461 P CB 1.175 32.539 31.700 -0.559 0.000 0.858 462 E N 1.513 121.781 120.200 0.114 0.000 2.079 462 E HA 0.098 4.447 4.350 -0.001 0.000 0.191 462 E C 0.293 177.011 176.600 0.196 0.000 0.961 462 E CA 0.621 57.121 56.400 0.167 0.000 0.823 462 E CB 0.132 29.951 29.700 0.200 0.000 0.789 462 E HN 0.400 nan 8.360 nan 0.000 0.459 463 I N 1.883 122.569 120.570 0.192 0.000 2.382 463 I HA 0.301 4.470 4.170 -0.001 0.000 0.286 463 I C -0.883 175.263 176.117 0.050 0.000 1.002 463 I CA -0.803 60.536 61.300 0.065 0.000 1.135 463 I CB 0.813 38.858 38.000 0.076 0.000 1.288 463 I HN -0.009 nan 8.210 nan 0.000 0.448 464 F N 4.767 124.450 119.950 -0.445 0.000 2.923 464 F HA 0.824 5.350 4.527 -0.001 0.000 0.323 464 F C -1.545 173.783 175.800 -0.786 0.000 1.189 464 F CA -1.234 56.152 58.000 -1.023 0.000 0.930 464 F CB 0.905 38.900 39.000 -1.674 0.000 1.414 464 F HN -0.061 nan 8.300 nan 0.000 0.496 465 V N 0.876 120.303 119.914 -0.811 0.000 2.588 465 V HA 0.467 4.586 4.120 -0.001 0.000 0.304 465 V C -0.737 175.272 176.094 -0.142 0.000 1.042 465 V CA -0.700 61.362 62.300 -0.396 0.000 0.877 465 V CB 1.495 33.175 31.823 -0.238 0.000 0.996 465 V HN 0.773 nan 8.190 nan 0.000 0.425 466 E N 2.386 122.523 120.200 -0.105 0.000 2.212 466 E HA 0.868 5.217 4.350 -0.001 0.000 0.270 466 E C -0.446 176.173 176.600 0.033 0.000 0.956 466 E CA -0.649 55.769 56.400 0.029 0.000 0.825 466 E CB 2.494 32.218 29.700 0.040 0.000 1.167 466 E HN 0.863 nan 8.360 nan 0.000 0.400 467 A N 1.843 124.711 122.820 0.079 0.000 2.609 467 A HA 0.604 4.923 4.320 -0.001 0.000 0.291 467 A C -1.676 175.955 177.584 0.078 0.000 1.096 467 A CA -0.734 51.359 52.037 0.093 0.000 0.684 467 A CB 1.956 21.051 19.000 0.158 0.000 1.282 467 A HN 0.630 nan 8.150 nan 0.000 0.412 468 Q N 0.027 119.869 119.800 0.071 0.000 2.647 468 Q HA 0.623 4.963 4.340 -0.001 0.000 0.283 468 Q C -1.714 174.322 176.000 0.060 0.000 0.943 468 Q CA -0.799 55.037 55.803 0.055 0.000 0.813 468 Q CB 0.969 29.737 28.738 0.049 0.000 1.477 468 Q HN 0.610 nan 8.270 nan 0.000 0.393 469 I N 2.810 123.422 120.570 0.070 0.000 2.452 469 I HA 0.033 4.202 4.170 -0.001 0.000 0.287 469 I C 0.765 176.927 176.117 0.076 0.000 1.079 469 I CA -0.108 61.252 61.300 0.101 0.000 1.387 469 I CB 0.495 38.576 38.000 0.136 0.000 1.404 469 I HN 0.742 nan 8.210 nan 0.000 0.522 470 N N 3.823 122.561 118.700 0.064 0.000 2.148 470 N HA -0.020 4.719 4.740 -0.001 0.000 0.186 470 N C -0.079 175.480 175.510 0.081 0.000 1.031 470 N CA 1.090 54.175 53.050 0.060 0.000 0.848 470 N CB 0.468 38.977 38.487 0.036 0.000 1.005 470 N HN 0.591 nan 8.380 nan 0.000 0.427 471 T N 2.260 116.887 114.554 0.123 0.000 2.937 471 T HA 0.365 4.715 4.350 -0.001 0.000 0.297 471 T C -2.852 171.965 174.700 0.195 0.000 0.991 471 T CA -1.163 61.035 62.100 0.163 0.000 0.990 471 T CB 2.387 71.375 68.868 0.199 0.000 0.991 471 T HN 0.067 nan 8.240 nan 0.000 0.440 472 P HA 0.481 nan 4.420 nan 0.000 0.271 472 P C -0.185 177.037 177.300 -0.130 0.000 1.216 472 P CA 0.010 63.121 63.100 0.020 0.000 0.776 472 P CB 1.027 32.743 31.700 0.027 0.000 0.881 473 G N 0.324 108.864 108.800 -0.433 0.000 2.660 473 G HA2 0.488 4.447 3.960 -0.001 0.000 0.290 473 G HA3 0.488 4.447 3.960 -0.001 0.000 0.290 473 G C 0.240 174.776 174.900 -0.607 0.000 1.432 473 G CA -0.289 44.234 45.100 -0.961 0.000 0.807 473 G HN 0.435 nan 8.290 nan 0.000 0.485 474 T N -3.758 110.518 114.554 -0.464 0.000 2.978 474 T HA 0.089 4.438 4.350 -0.001 0.000 0.248 474 T C 1.820 176.493 174.700 -0.044 0.000 1.018 474 T CA 1.498 63.495 62.100 -0.171 0.000 1.026 474 T CB 0.105 68.924 68.868 -0.081 0.000 1.032 474 T HN 0.805 nan 8.240 nan 0.000 0.485 475 T N 0.353 114.837 114.554 -0.117 0.000 3.069 475 T HA 0.498 4.847 4.350 -0.001 0.000 0.252 475 T C 0.048 174.625 174.700 -0.206 0.000 1.053 475 T CA -0.660 61.442 62.100 0.004 0.000 0.964 475 T CB -0.718 68.182 68.868 0.054 0.000 1.005 475 T HN 0.592 nan 8.240 nan 0.000 0.532 476 F N -1.111 118.650 119.950 -0.316 0.000 2.741 476 F HA 0.759 5.285 4.527 -0.001 0.000 0.313 476 F C -1.550 174.128 175.800 -0.202 0.000 1.153 476 F CA -1.294 56.330 58.000 -0.627 0.000 0.931 476 F CB 1.148 39.904 39.000 -0.406 0.000 1.335 476 F HN -0.239 nan 8.300 nan 0.000 0.460 477 T N 0.978 115.594 114.554 0.103 0.000 2.881 477 T HA 0.355 4.704 4.350 -0.001 0.000 0.291 477 T C -1.495 173.300 174.700 0.159 0.000 0.990 477 T CA -0.481 61.732 62.100 0.187 0.000 0.976 477 T CB 1.395 70.423 68.868 0.268 0.000 0.970 477 T HN 0.773 nan 8.240 nan 0.000 0.438 478 E N 4.237 124.561 120.200 0.208 0.000 2.114 478 E HA 0.425 4.774 4.350 -0.001 0.000 0.266 478 E C -0.665 175.872 176.600 -0.105 0.000 0.896 478 E CA -0.693 55.714 56.400 0.012 0.000 0.750 478 E CB 0.524 30.288 29.700 0.108 0.000 1.121 478 E HN 0.364 nan 8.360 nan 0.000 0.413 479 I N 3.855 124.170 120.570 -0.425 0.000 2.525 479 I HA 0.281 4.450 4.170 -0.001 0.000 0.301 479 I C -0.011 175.933 176.117 -0.289 0.000 0.992 479 I CA -0.667 60.398 61.300 -0.393 0.000 1.162 479 I CB 1.546 39.118 38.000 -0.714 0.000 1.332 479 I HN 0.543 nan 8.210 nan 0.000 0.458 480 K N 4.830 125.189 120.400 -0.069 0.000 2.464 480 K HA 0.684 5.003 4.320 -0.001 0.000 0.252 480 K C -0.912 175.732 176.600 0.074 0.000 1.000 480 K CA -0.359 55.944 56.287 0.027 0.000 0.951 480 K CB 1.063 33.593 32.500 0.049 0.000 1.183 480 K HN 0.773 nan 8.250 nan 0.000 0.445 481 A N 3.861 126.772 122.820 0.152 0.000 2.295 481 A HA 0.731 5.050 4.320 -0.001 0.000 0.318 481 A C -0.939 176.672 177.584 0.045 0.000 1.134 481 A CA -0.784 51.326 52.037 0.122 0.000 0.827 481 A CB 1.017 20.140 19.000 0.205 0.000 1.136 481 A HN 0.759 nan 8.150 nan 0.000 0.493 482 M N 2.257 121.827 119.600 -0.050 0.000 2.165 482 M HA 0.495 4.974 4.480 -0.001 0.000 0.283 482 M C -1.569 174.603 176.300 -0.214 0.000 0.978 482 M CA -0.109 55.132 55.300 -0.097 0.000 0.948 482 M CB 1.078 33.632 32.600 -0.078 0.000 1.599 482 M HN 0.555 nan 8.290 nan 0.000 0.450 483 I N 5.002 125.449 120.570 -0.205 0.000 2.428 483 I HA 0.447 4.616 4.170 -0.001 0.000 0.289 483 I C 0.080 175.975 176.117 -0.370 0.000 1.019 483 I CA -0.574 60.562 61.300 -0.275 0.000 1.351 483 I CB 0.609 38.537 38.000 -0.120 0.000 1.412 483 I HN 0.527 nan 8.210 nan 0.000 0.513 484 R N 4.254 124.401 120.500 -0.588 0.000 2.621 484 R HA 0.353 4.692 4.340 -0.001 0.000 0.292 484 R C -0.944 175.072 176.300 -0.474 0.000 0.969 484 R CA -0.877 54.853 56.100 -0.617 0.000 0.887 484 R CB 1.887 31.526 30.300 -1.100 0.000 1.180 484 R HN 0.475 nan 8.270 nan 0.000 0.450 485 N N 2.291 120.870 118.700 -0.201 0.000 2.696 485 N HA 0.114 4.854 4.740 -0.001 0.000 0.246 485 N C -0.773 174.704 175.510 -0.054 0.000 1.057 485 N CA -0.170 52.833 53.050 -0.078 0.000 0.867 485 N CB 0.980 39.486 38.487 0.032 0.000 1.141 485 N HN 0.501 nan 8.380 nan 0.000 0.517 486 Q N 0.623 120.313 119.800 -0.183 0.000 2.241 486 Q HA 0.171 4.510 4.340 -0.001 0.000 0.296 486 Q C 0.041 175.981 176.000 -0.100 0.000 0.889 486 Q CA -0.422 55.146 55.803 -0.393 0.000 1.089 486 Q CB 0.282 28.430 28.738 -0.983 0.000 1.195 486 Q HN 0.589 nan 8.270 nan 0.000 0.451 487 S N -0.770 114.969 115.700 0.065 0.000 2.568 487 S HA 0.344 4.814 4.470 -0.001 0.000 0.282 487 S C 0.957 175.668 174.600 0.186 0.000 1.338 487 S CA 0.244 58.552 58.200 0.180 0.000 1.045 487 S CB 1.271 64.581 63.200 0.183 0.000 0.873 487 S HN 0.423 nan 8.310 nan 0.000 0.516 488 G N 0.639 109.593 108.800 0.256 0.000 3.941 488 G HA2 0.218 4.177 3.960 -0.001 0.000 0.222 488 G HA3 0.218 4.177 3.960 -0.001 0.000 0.222 488 G C -0.311 174.478 174.900 -0.185 0.000 1.118 488 G CA -0.441 44.633 45.100 -0.042 0.000 0.880 488 G HN 0.713 nan 8.290 nan 0.000 0.546 489 W N 2.460 123.907 121.300 0.245 0.000 1.506 489 W HA 0.322 4.982 4.660 -0.001 0.000 0.296 489 W C -2.543 174.066 176.519 0.150 0.000 0.847 489 W CA -1.090 56.389 57.345 0.223 0.000 2.203 489 W CB 1.405 30.990 29.460 0.208 0.000 2.219 489 W HN 0.104 nan 8.180 nan 0.000 0.464 490 P HA 0.509 nan 4.420 nan 0.000 0.289 490 P C -0.185 177.207 177.300 0.153 0.000 1.300 490 P CA -0.409 62.775 63.100 0.140 0.000 0.828 490 P CB 1.472 33.220 31.700 0.080 0.000 1.235 491 A N 1.148 124.044 122.820 0.127 0.000 2.511 491 A HA 0.394 4.713 4.320 -0.001 0.000 0.242 491 A C 0.633 178.301 177.584 0.141 0.000 1.069 491 A CA 0.038 52.165 52.037 0.151 0.000 0.763 491 A CB -0.398 18.698 19.000 0.160 0.000 1.001 491 A HN 0.642 nan 8.150 nan 0.000 0.498 492 R N 1.618 122.212 120.500 0.156 0.000 2.707 492 R HA 0.684 5.023 4.340 -0.001 0.000 0.272 492 R C -0.909 175.480 176.300 0.150 0.000 1.011 492 R CA -0.994 55.184 56.100 0.130 0.000 0.893 492 R CB 1.070 31.440 30.300 0.117 0.000 1.233 492 R HN 0.589 nan 8.270 nan 0.000 0.464 493 M N 1.939 121.607 119.600 0.114 0.000 2.250 493 M HA 0.341 4.821 4.480 -0.001 0.000 0.344 493 M C -1.300 175.072 176.300 0.119 0.000 1.150 493 M CA -0.675 54.701 55.300 0.126 0.000 1.147 493 M CB 1.116 33.740 32.600 0.040 0.000 1.498 493 M HN 0.667 nan 8.290 nan 0.000 0.461 494 L N 5.532 126.839 121.223 0.140 0.000 2.454 494 L HA 0.476 4.815 4.340 -0.001 0.000 0.258 494 L C -0.997 175.938 176.870 0.108 0.000 1.025 494 L CA 0.128 55.036 54.840 0.113 0.000 0.901 494 L CB 0.703 42.824 42.059 0.104 0.000 1.210 494 L HN 0.870 nan 8.230 nan 0.000 0.457 495 D N 1.567 122.019 120.400 0.086 0.000 2.440 495 D HA 0.111 4.750 4.640 -0.001 0.000 0.216 495 D C 0.128 176.463 176.300 0.059 0.000 1.150 495 D CA 0.056 54.099 54.000 0.072 0.000 0.832 495 D CB 0.266 41.098 40.800 0.054 0.000 0.992 495 D HN 0.449 nan 8.370 nan 0.000 0.502 496 K N 0.443 120.882 120.400 0.066 0.000 3.165 496 K HA 0.380 4.700 4.320 -0.001 0.000 0.206 496 K C 0.128 176.776 176.600 0.081 0.000 1.123 496 K CA -0.442 55.881 56.287 0.060 0.000 0.978 496 K CB 1.629 34.160 32.500 0.052 0.000 0.749 496 K HN 0.103 nan 8.250 nan 0.000 0.454 497 G N 0.799 109.654 108.800 0.092 0.000 2.420 497 G HA2 0.455 4.414 3.960 -0.001 0.000 0.284 497 G HA3 0.455 4.414 3.960 -0.001 0.000 0.284 497 G C -0.144 174.830 174.900 0.123 0.000 1.177 497 G CA -0.106 45.072 45.100 0.130 0.000 0.841 497 G HN 0.140 nan 8.290 nan 0.000 0.527 498 T N -1.560 113.103 114.554 0.182 0.000 2.894 498 T HA 0.704 5.054 4.350 -0.001 0.000 0.309 498 T C -0.912 173.978 174.700 0.316 0.000 1.208 498 T CA -0.856 61.313 62.100 0.116 0.000 1.016 498 T CB 1.711 70.581 68.868 0.004 0.000 1.192 498 T HN 1.222 nan 8.240 nan 0.000 0.491 499 F N -0.858 119.166 119.950 0.122 0.000 2.599 499 F HA 0.881 5.407 4.527 -0.001 0.000 0.311 499 F C -0.842 175.001 175.800 0.071 0.000 1.076 499 F CA -1.400 56.708 58.000 0.180 0.000 0.937 499 F CB 1.730 40.831 39.000 0.167 0.000 1.282 499 F HN 0.685 nan 8.300 nan 0.000 0.460 500 R N 1.674 122.364 120.500 0.316 0.000 2.637 500 R HA 0.410 4.749 4.340 -0.001 0.000 0.291 500 R C -2.140 174.209 176.300 0.082 0.000 0.963 500 R CA -1.054 54.960 56.100 -0.145 0.000 0.901 500 R CB 2.379 32.097 30.300 -0.970 0.000 1.160 500 R HN 0.870 nan 8.270 nan 0.000 0.457 501 Y N 3.053 123.388 120.300 0.059 0.000 2.376 501 Y HA 0.300 4.849 4.550 -0.001 0.000 0.326 501 Y C -0.955 175.228 175.900 0.471 0.000 0.970 501 Y CA -0.779 57.583 58.100 0.435 0.000 1.248 501 Y CB 0.909 39.731 38.460 0.605 0.000 1.117 501 Y HN 0.522 nan 8.280 nan 0.000 0.476 502 W N 8.121 129.649 121.300 0.381 0.000 2.316 502 W HA 0.381 5.040 4.660 -0.001 0.000 0.321 502 W C -0.821 175.954 176.519 0.427 0.000 1.203 502 W CA -0.309 57.278 57.345 0.403 0.000 1.214 502 W CB 1.250 30.871 29.460 0.268 0.000 1.169 502 W HN 0.585 nan 8.180 nan 0.000 0.561 503 F N -0.718 119.578 119.950 0.577 0.000 2.631 503 F HA 0.572 5.098 4.527 -0.001 0.000 0.308 503 F C -0.784 175.225 175.800 0.349 0.000 1.097 503 F CA -1.221 57.026 58.000 0.413 0.000 0.952 503 F CB 0.869 40.149 39.000 0.467 0.000 1.307 503 F HN -0.103 nan 8.300 nan 0.000 0.450 504 T N 4.103 118.854 114.554 0.328 0.000 2.749 504 T HA 0.421 4.771 4.350 -0.001 0.000 0.287 504 T C -0.511 174.325 174.700 0.227 0.000 0.970 504 T CA -0.363 61.857 62.100 0.200 0.000 0.980 504 T CB 1.032 69.983 68.868 0.139 0.000 0.924 504 T HN 0.724 nan 8.240 nan 0.000 0.456 505 L N 4.618 125.977 121.223 0.227 0.000 2.490 505 L HA 0.175 4.514 4.340 -0.001 0.000 0.274 505 L C 0.158 177.095 176.870 0.112 0.000 1.201 505 L CA 0.573 55.530 54.840 0.194 0.000 0.869 505 L CB 0.197 42.336 42.059 0.134 0.000 1.123 505 L HN 0.574 nan 8.230 nan 0.000 0.484 506 D N 2.673 123.117 120.400 0.074 0.000 2.326 506 D HA 0.140 4.780 4.640 -0.001 0.000 0.251 506 D C -0.629 175.701 176.300 0.050 0.000 1.023 506 D CA -0.524 53.494 54.000 0.030 0.000 0.966 506 D CB 1.199 41.980 40.800 -0.032 0.000 1.156 506 D HN 0.458 nan 8.370 nan 0.000 0.494 507 E N -0.439 119.782 120.200 0.035 0.000 2.415 507 E HA 0.312 4.661 4.350 -0.001 0.000 0.260 507 E C 0.818 177.443 176.600 0.041 0.000 1.016 507 E CA 0.617 57.038 56.400 0.036 0.000 0.924 507 E CB 0.001 29.716 29.700 0.026 0.000 0.961 507 E HN 0.656 nan 8.360 nan 0.000 0.459 508 G N 2.785 111.611 108.800 0.043 0.000 2.175 508 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.244 508 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.244 508 G C -0.196 174.738 174.900 0.057 0.000 0.982 508 G CA 0.047 45.173 45.100 0.044 0.000 0.641 508 G HN 0.527 nan 8.290 nan 0.000 0.527 509 V N 1.579 121.535 119.914 0.071 0.000 2.347 509 V HA 0.500 4.619 4.120 -0.001 0.000 0.280 509 V C -0.279 175.850 176.094 0.058 0.000 1.021 509 V CA -0.883 61.472 62.300 0.091 0.000 0.847 509 V CB 1.740 33.663 31.823 0.166 0.000 0.990 509 V HN 0.315 nan 8.190 nan 0.000 0.444 510 D N 7.961 128.384 120.400 0.038 0.000 2.295 510 D HA 0.262 4.901 4.640 -0.001 0.000 0.248 510 D C -1.142 175.156 176.300 -0.003 0.000 1.154 510 D CA -2.051 51.957 54.000 0.014 0.000 0.857 510 D CB 2.240 43.046 40.800 0.011 0.000 1.117 510 D HN 0.235 nan 8.370 nan 0.000 0.468 511 P HA -0.160 nan 4.420 nan 0.000 0.219 511 P C 0.903 178.187 177.300 -0.028 0.000 1.146 511 P CA 0.795 63.843 63.100 -0.086 0.000 0.808 511 P CB 0.210 31.809 31.700 -0.168 0.000 0.779 512 A N -0.009 122.803 122.820 -0.013 0.000 2.121 512 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 512 A C 1.605 179.178 177.584 -0.018 0.000 1.154 512 A CA 1.439 53.470 52.037 -0.010 0.000 0.679 512 A CB -0.818 18.178 19.000 -0.006 0.000 0.795 512 A HN 0.066 nan 8.150 nan 0.000 0.458 513 D N -0.577 119.811 120.400 -0.019 0.000 2.349 513 D HA 0.199 4.838 4.640 -0.001 0.000 0.214 513 D C 0.193 176.461 176.300 -0.053 0.000 1.063 513 D CA 0.065 54.048 54.000 -0.029 0.000 0.847 513 D CB 0.100 40.889 40.800 -0.018 0.000 0.933 513 D HN 0.430 nan 8.370 nan 0.000 0.513 514 I N 1.516 122.055 120.570 -0.052 0.000 2.441 514 I HA 0.091 4.260 4.170 -0.001 0.000 0.287 514 I C 0.539 176.598 176.117 -0.098 0.000 1.049 514 I CA 0.023 61.265 61.300 -0.096 0.000 1.381 514 I CB 0.967 38.937 38.000 -0.051 0.000 1.409 514 I HN -0.151 nan 8.210 nan 0.000 0.523 515 T N 3.029 117.496 114.554 -0.145 0.000 2.876 515 T HA 0.677 5.026 4.350 -0.001 0.000 0.289 515 T C -0.611 174.012 174.700 -0.128 0.000 1.014 515 T CA -0.784 61.247 62.100 -0.116 0.000 0.986 515 T CB 1.924 70.725 68.868 -0.112 0.000 1.021 515 T HN 0.177 nan 8.240 nan 0.000 0.458 516 V N 3.143 123.012 119.914 -0.076 0.000 2.378 516 V HA 0.735 4.854 4.120 -0.001 0.000 0.288 516 V C 0.189 176.261 176.094 -0.036 0.000 1.016 516 V CA -0.607 61.668 62.300 -0.042 0.000 0.840 516 V CB 0.951 32.774 31.823 0.001 0.000 0.994 516 V HN 1.268 nan 8.190 nan 0.000 0.431 517 S N 3.125 118.801 115.700 -0.040 0.000 2.704 517 S HA 0.933 5.402 4.470 -0.001 0.000 0.296 517 S C -0.558 174.039 174.600 -0.005 0.000 1.138 517 S CA -0.722 57.455 58.200 -0.038 0.000 0.875 517 S CB 2.281 65.433 63.200 -0.080 0.000 1.151 517 S HN 0.886 nan 8.310 nan 0.000 0.500 518 S N -1.152 114.547 115.700 -0.002 0.000 2.537 518 S HA 0.672 5.141 4.470 -0.001 0.000 0.271 518 S C -0.248 174.370 174.600 0.031 0.000 1.148 518 S CA -0.124 58.093 58.200 0.028 0.000 0.868 518 S CB 1.180 64.417 63.200 0.061 0.000 1.115 518 S HN 1.635 nan 8.310 nan 0.000 0.461 519 A N 2.175 125.029 122.820 0.057 0.000 2.390 519 A HA 0.527 4.847 4.320 -0.001 0.000 0.232 519 A C -0.481 177.213 177.584 0.183 0.000 1.233 519 A CA 0.151 52.233 52.037 0.074 0.000 0.907 519 A CB 0.144 19.168 19.000 0.039 0.000 0.967 519 A HN 1.125 nan 8.150 nan 0.000 0.512 520 Y N -0.066 120.244 120.300 0.018 0.000 2.275 520 Y HA 0.505 5.054 4.550 -0.001 0.000 0.319 520 Y C -1.909 174.022 175.900 0.052 0.000 1.204 520 Y CA -1.881 56.236 58.100 0.028 0.000 1.136 520 Y CB 0.895 39.371 38.460 0.026 0.000 1.228 520 Y HN 0.113 nan 8.280 nan 0.000 0.413 521 N N 4.668 123.214 118.700 -0.256 0.000 2.542 521 N HA 0.231 4.971 4.740 -0.001 0.000 0.288 521 N C -0.362 174.990 175.510 -0.264 0.000 1.115 521 N CA -0.321 52.572 53.050 -0.263 0.000 0.924 521 N CB 1.781 40.227 38.487 -0.069 0.000 1.526 521 N HN 0.855 nan 8.380 nan 0.000 0.515 522 Q N 0.580 120.190 119.800 -0.318 0.000 2.472 522 Q HA 0.163 4.503 4.340 -0.001 0.000 0.208 522 Q C 0.116 176.071 176.000 -0.075 0.000 0.958 522 Q CA 0.575 56.277 55.803 -0.167 0.000 0.932 522 Q CB 0.271 28.917 28.738 -0.154 0.000 1.007 522 Q HN 0.586 nan 8.270 nan 0.000 0.508 523 c N -0.707 117.849 118.600 -0.073 0.000 2.857 523 c HA 0.757 5.326 4.570 -0.001 0.000 0.397 523 c C 0.517 174.571 174.090 -0.060 0.000 1.558 523 c CA -1.216 55.083 56.329 -0.052 0.000 1.694 523 c CB 0.852 43.332 42.510 -0.049 0.000 2.120 523 c HN 0.414 nan 8.230 nan 0.000 0.475 524 A N 0.419 123.198 122.820 -0.068 0.000 2.351 524 A HA 0.547 4.866 4.320 -0.001 0.000 0.257 524 A C -0.086 177.449 177.584 -0.082 0.000 1.087 524 A CA 0.273 52.272 52.037 -0.063 0.000 0.798 524 A CB -0.135 18.831 19.000 -0.057 0.000 1.033 524 A HN 0.824 nan 8.150 nan 0.000 0.488 525 T N 4.541 119.061 114.554 -0.057 0.000 2.770 525 T HA 0.534 4.883 4.350 -0.001 0.000 0.297 525 T C -2.201 172.470 174.700 -0.049 0.000 0.997 525 T CA -0.616 61.452 62.100 -0.054 0.000 0.949 525 T CB 0.874 69.726 68.868 -0.025 0.000 0.941 525 T HN 0.673 nan 8.240 nan 0.000 0.457 526 P HA 0.276 nan 4.420 nan 0.000 0.274 526 P C 0.458 177.740 177.300 -0.031 0.000 1.237 526 P CA -0.388 62.690 63.100 -0.036 0.000 0.793 526 P CB 1.742 33.426 31.700 -0.027 0.000 0.977 527 E N 0.355 120.536 120.200 -0.030 0.000 2.201 527 E HA -0.045 4.305 4.350 -0.001 0.000 0.193 527 E C -0.229 176.343 176.600 -0.047 0.000 0.957 527 E CA 0.344 56.722 56.400 -0.037 0.000 0.858 527 E CB 0.309 29.988 29.700 -0.034 0.000 0.816 527 E HN 0.652 nan 8.360 nan 0.000 0.475 528 D N -0.373 119.985 120.400 -0.069 0.000 2.497 528 D HA 0.362 5.002 4.640 -0.001 0.000 0.243 528 D C -0.279 175.937 176.300 -0.141 0.000 1.039 528 D CA -0.906 53.030 54.000 -0.107 0.000 1.052 528 D CB 1.705 42.413 40.800 -0.154 0.000 1.344 528 D HN -0.030 nan 8.370 nan 0.000 0.553 529 V N -3.533 116.312 119.914 -0.115 0.000 2.975 529 V HA 0.599 4.718 4.120 -0.001 0.000 0.318 529 V C -0.641 175.286 176.094 -0.279 0.000 1.077 529 V CA -0.712 61.576 62.300 -0.020 0.000 1.000 529 V CB 1.627 33.626 31.823 0.292 0.000 1.066 529 V HN 0.657 nan 8.190 nan 0.000 0.452 530 H N 1.627 120.572 119.070 -0.208 0.000 2.505 530 H HA 0.426 4.981 4.556 -0.001 0.000 0.338 530 H C -0.933 174.181 175.328 -0.357 0.000 1.057 530 H CA -0.360 55.428 56.048 -0.433 0.000 1.202 530 H CB 1.491 30.598 29.762 -1.091 0.000 1.466 530 H HN 0.939 nan 8.280 nan 0.000 0.499 531 H N 3.184 122.077 119.070 -0.294 0.000 2.620 531 H HA 0.131 4.687 4.556 -0.001 0.000 0.313 531 H C -0.049 175.079 175.328 -0.332 0.000 1.075 531 H CA -0.470 55.174 56.048 -0.674 0.000 1.397 531 H CB 1.205 30.579 29.762 -0.647 0.000 1.446 531 H HN 0.333 nan 8.280 nan 0.000 0.493 532 V N 3.960 123.459 119.914 -0.691 0.000 2.423 532 V HA 0.000 4.120 4.120 -0.001 0.000 0.233 532 V C 0.551 176.227 176.094 -0.697 0.000 1.067 532 V CA 1.246 63.309 62.300 -0.396 0.000 1.073 532 V CB 0.096 31.882 31.823 -0.062 0.000 0.715 532 V HN 0.896 nan 8.190 nan 0.000 0.485 533 S N -2.299 112.966 115.700 -0.726 0.000 2.567 533 S HA 0.606 5.075 4.470 -0.001 0.000 0.270 533 S C 0.147 174.666 174.600 -0.136 0.000 1.152 533 S CA 0.121 58.047 58.200 -0.455 0.000 0.835 533 S CB 1.210 64.288 63.200 -0.204 0.000 1.115 533 S HN 1.572 nan 8.310 nan 0.000 0.459 534 G N 2.011 110.866 108.800 0.091 0.000 2.651 534 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.315 534 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.315 534 G C 0.069 175.124 174.900 0.259 0.000 1.258 534 G CA 0.887 46.076 45.100 0.148 0.000 1.002 534 G HN 0.934 nan 8.290 nan 0.000 0.551 535 D N 0.483 120.995 120.400 0.186 0.000 2.340 535 D HA 0.201 4.840 4.640 -0.001 0.000 0.217 535 D C 0.617 177.095 176.300 0.295 0.000 1.081 535 D CA -0.170 53.996 54.000 0.276 0.000 0.842 535 D CB 0.429 41.341 40.800 0.188 0.000 0.934 535 D HN 0.160 nan 8.370 nan 0.000 0.511 536 L N 1.360 122.661 121.223 0.129 0.000 2.319 536 L HA 0.211 4.550 4.340 -0.001 0.000 0.280 536 L C -1.128 175.721 176.870 -0.036 0.000 1.099 536 L CA 0.008 54.892 54.840 0.073 0.000 0.828 536 L CB 0.031 42.091 42.059 0.001 0.000 1.150 536 L HN -0.175 nan 8.230 nan 0.000 0.442 537 Y N 4.276 124.477 120.300 -0.165 0.000 2.638 537 Y HA 0.656 5.205 4.550 -0.001 0.000 0.339 537 Y C -0.862 174.913 175.900 -0.208 0.000 1.084 537 Y CA -0.630 57.290 58.100 -0.299 0.000 1.068 537 Y CB 1.840 39.881 38.460 -0.698 0.000 1.294 537 Y HN 0.546 nan 8.280 nan 0.000 0.480 538 Y N -2.123 118.221 120.300 0.074 0.000 2.581 538 Y HA 0.791 5.340 4.550 -0.001 0.000 0.337 538 Y C -2.190 173.888 175.900 0.296 0.000 1.108 538 Y CA -1.643 56.497 58.100 0.068 0.000 1.033 538 Y CB 0.417 38.533 38.460 -0.575 0.000 1.318 538 Y HN 0.333 nan 8.280 nan 0.000 0.459 539 V N 2.571 122.816 119.914 0.551 0.000 2.547 539 V HA 0.456 4.575 4.120 -0.001 0.000 0.299 539 V C -0.643 175.586 176.094 0.224 0.000 1.040 539 V CA -0.698 61.822 62.300 0.367 0.000 0.913 539 V CB 1.579 33.577 31.823 0.293 0.000 0.992 539 V HN 0.852 nan 8.190 nan 0.000 0.449 540 E N 4.002 124.260 120.200 0.097 0.000 2.191 540 E HA 0.448 4.797 4.350 -0.001 0.000 0.263 540 E C -1.520 174.902 176.600 -0.298 0.000 0.881 540 E CA -0.698 55.641 56.400 -0.103 0.000 0.757 540 E CB 1.390 31.056 29.700 -0.057 0.000 1.147 540 E HN 0.456 nan 8.360 nan 0.000 0.414 541 I N 3.666 123.859 120.570 -0.628 0.000 2.336 541 I HA 0.203 4.373 4.170 -0.001 0.000 0.292 541 I C -0.153 175.693 176.117 -0.451 0.000 0.991 541 I CA -0.551 60.329 61.300 -0.700 0.000 1.227 541 I CB 1.207 38.419 38.000 -1.312 0.000 1.366 541 I HN 0.586 nan 8.210 nan 0.000 0.466 542 D N 5.803 126.053 120.400 -0.249 0.000 2.373 542 D HA 0.237 4.876 4.640 -0.001 0.000 0.227 542 D C -0.024 176.226 176.300 -0.083 0.000 1.091 542 D CA -0.225 53.696 54.000 -0.133 0.000 0.840 542 D CB 1.042 41.788 40.800 -0.089 0.000 1.060 542 D HN 0.496 nan 8.370 nan 0.000 0.502 543 c N 2.907 121.487 118.600 -0.034 0.000 2.881 543 c HA 0.161 4.730 4.570 -0.001 0.000 0.290 543 c C 0.856 174.959 174.090 0.021 0.000 1.362 543 c CA -0.355 55.977 56.329 0.005 0.000 1.757 543 c CB -1.432 41.108 42.510 0.049 0.000 2.265 543 c HN 0.684 nan 8.230 nan 0.000 0.600 544 T N -1.096 113.465 114.554 0.012 0.000 2.928 544 T HA 0.428 4.777 4.350 -0.001 0.000 0.305 544 T C 1.276 175.987 174.700 0.018 0.000 1.035 544 T CA 1.048 63.160 62.100 0.020 0.000 1.145 544 T CB 0.910 69.785 68.868 0.010 0.000 0.963 544 T HN 1.049 nan 8.240 nan 0.000 0.545 545 G N 1.893 110.709 108.800 0.026 0.000 2.254 545 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.225 545 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.225 545 G C -0.082 174.840 174.900 0.037 0.000 1.003 545 G CA -0.233 44.882 45.100 0.025 0.000 0.622 545 G HN 0.809 nan 8.290 nan 0.000 0.507 546 E N 1.415 121.641 120.200 0.043 0.000 2.229 546 E HA 0.358 4.707 4.350 -0.001 0.000 0.283 546 E C 0.070 176.724 176.600 0.090 0.000 1.030 546 E CA -0.214 56.221 56.400 0.057 0.000 0.836 546 E CB 0.948 30.674 29.700 0.043 0.000 1.068 546 E HN 0.406 nan 8.360 nan 0.000 0.401 547 K N 3.693 124.171 120.400 0.131 0.000 2.219 547 K HA 0.317 4.636 4.320 -0.001 0.000 0.280 547 K C 0.000 176.793 176.600 0.320 0.000 1.104 547 K CA -0.127 56.292 56.287 0.220 0.000 0.925 547 K CB 0.197 32.838 32.500 0.236 0.000 1.261 547 K HN 0.335 nan 8.250 nan 0.000 0.445 548 I N 5.507 126.218 120.570 0.236 0.000 2.291 548 I HA 0.278 4.447 4.170 -0.001 0.000 0.290 548 I C -0.356 175.925 176.117 0.274 0.000 1.050 548 I CA -0.790 60.602 61.300 0.153 0.000 1.245 548 I CB -0.140 37.896 38.000 0.061 0.000 1.405 548 I HN 0.369 nan 8.210 nan 0.000 0.478 549 F N 6.211 126.227 119.950 0.111 0.000 2.626 549 F HA 0.638 5.164 4.527 -0.001 0.000 0.311 549 F C -2.885 173.055 175.800 0.232 0.000 1.088 549 F CA -3.097 54.991 58.000 0.146 0.000 0.949 549 F CB 1.056 40.132 39.000 0.127 0.000 1.322 549 F HN 0.085 nan 8.300 nan 0.000 0.461 550 P HA 0.237 nan 4.420 nan 0.000 0.241 550 P C 0.164 177.692 177.300 0.379 0.000 1.760 550 P CA 0.360 63.651 63.100 0.320 0.000 1.081 550 P CB 0.128 32.011 31.700 0.304 0.000 1.975 551 G N 0.523 109.468 108.800 0.241 0.000 4.908 551 G HA2 0.516 4.475 3.960 -0.001 0.000 0.267 551 G HA3 0.516 4.475 3.960 -0.001 0.000 0.267 551 G C 0.122 175.247 174.900 0.375 0.000 0.958 551 G CA -0.060 45.364 45.100 0.541 0.000 0.743 551 G HN 0.675 nan 8.290 nan 0.000 0.410 552 G N -0.568 108.327 108.800 0.158 0.000 2.339 552 G HA2 0.307 4.266 3.960 -0.001 0.000 0.302 552 G HA3 0.307 4.266 3.960 -0.001 0.000 0.302 552 G C 0.048 175.070 174.900 0.204 0.000 1.425 552 G CA 0.055 45.243 45.100 0.148 0.000 0.899 552 G HN 0.101 nan 8.290 nan 0.000 0.619 553 Q N 0.245 120.148 119.800 0.172 0.000 2.002 553 Q HA -0.063 4.277 4.340 -0.001 0.000 0.204 553 Q C 2.712 178.837 176.000 0.208 0.000 0.988 553 Q CA 3.166 59.114 55.803 0.242 0.000 0.843 553 Q CB -0.486 28.329 28.738 0.127 0.000 0.908 553 Q HN 0.556 nan 8.270 nan 0.000 0.420 554 S N 0.061 115.813 115.700 0.086 0.000 2.414 554 S HA -0.071 4.398 4.470 -0.001 0.000 0.227 554 S C 1.683 176.242 174.600 -0.069 0.000 1.022 554 S CA 0.967 59.169 58.200 0.004 0.000 0.958 554 S CB -0.174 63.043 63.200 0.028 0.000 0.797 554 S HN 0.364 nan 8.310 nan 0.000 0.493 555 E N 1.317 121.466 120.200 -0.084 0.000 2.110 555 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 555 E C 1.837 178.260 176.600 -0.294 0.000 0.988 555 E CA 1.236 57.456 56.400 -0.300 0.000 0.804 555 E CB -0.346 28.954 29.700 -0.667 0.000 0.745 555 E HN 0.760 nan 8.360 nan 0.000 0.458 556 H N 0.510 119.470 119.070 -0.183 0.000 2.556 556 H HA 0.134 4.689 4.556 -0.001 0.000 0.268 556 H C 0.092 175.373 175.328 -0.078 0.000 0.996 556 H CA 0.320 56.314 56.048 -0.090 0.000 1.157 556 H CB 0.054 29.859 29.762 0.071 0.000 1.355 556 H HN 0.088 nan 8.280 nan 0.000 0.597 557 R N -0.412 119.762 120.500 -0.542 0.000 2.799 557 R HA 0.653 4.992 4.340 -0.001 0.000 0.270 557 R C -1.215 174.947 176.300 -0.230 0.000 1.010 557 R CA -1.152 54.679 56.100 -0.447 0.000 0.916 557 R CB 1.718 31.644 30.300 -0.623 0.000 1.228 557 R HN -0.117 nan 8.270 nan 0.000 0.469 558 R N 1.103 121.506 120.500 -0.161 0.000 2.514 558 R HA 0.258 4.597 4.340 -0.001 0.000 0.296 558 R C -1.284 174.969 176.300 -0.077 0.000 1.012 558 R CA -0.760 55.285 56.100 -0.091 0.000 0.897 558 R CB 2.028 32.304 30.300 -0.041 0.000 1.184 558 R HN 0.854 nan 8.270 nan 0.000 0.440 559 E N 2.117 122.260 120.200 -0.096 0.000 2.249 559 E HA 0.421 4.770 4.350 -0.001 0.000 0.280 559 E C -0.988 175.522 176.600 -0.150 0.000 1.016 559 E CA -0.572 55.772 56.400 -0.094 0.000 0.830 559 E CB 1.205 30.875 29.700 -0.051 0.000 1.081 559 E HN 0.187 nan 8.360 nan 0.000 0.395 560 V N 5.101 125.019 119.914 0.007 0.000 2.488 560 V HA 0.195 4.314 4.120 -0.001 0.000 0.293 560 V C -0.806 175.428 176.094 0.234 0.000 1.027 560 V CA -0.769 61.597 62.300 0.109 0.000 0.862 560 V CB 1.558 33.569 31.823 0.313 0.000 1.008 560 V HN 0.731 nan 8.190 nan 0.000 0.428 561 Q N 4.857 124.749 119.800 0.153 0.000 2.307 561 Q HA 0.737 5.076 4.340 -0.001 0.000 0.262 561 Q C -1.213 174.927 176.000 0.234 0.000 0.961 561 Q CA -0.483 55.412 55.803 0.153 0.000 0.882 561 Q CB 2.423 31.227 28.738 0.111 0.000 1.264 561 Q HN 0.755 nan 8.270 nan 0.000 0.446 562 F N -0.714 119.250 119.950 0.023 0.000 2.581 562 F HA 0.611 5.138 4.527 -0.001 0.000 0.311 562 F C -1.169 174.602 175.800 -0.048 0.000 1.113 562 F CA -1.234 56.754 58.000 -0.019 0.000 0.935 562 F CB 1.327 40.319 39.000 -0.013 0.000 1.232 562 F HN 0.308 nan 8.300 nan 0.000 0.445 563 R N 4.485 124.974 120.500 -0.018 0.000 2.387 563 R HA 0.720 5.059 4.340 -0.001 0.000 0.314 563 R C -1.607 174.625 176.300 -0.113 0.000 0.958 563 R CA -0.680 55.339 56.100 -0.135 0.000 0.846 563 R CB 1.251 31.401 30.300 -0.249 0.000 1.147 563 R HN 0.950 nan 8.270 nan 0.000 0.447 564 I N 4.294 124.758 120.570 -0.176 0.000 2.371 564 I HA 0.328 4.497 4.170 -0.001 0.000 0.282 564 I C -0.111 175.615 176.117 -0.651 0.000 1.031 564 I CA -0.629 60.472 61.300 -0.332 0.000 1.180 564 I CB 1.693 39.509 38.000 -0.306 0.000 1.336 564 I HN 0.607 nan 8.210 nan 0.000 0.467 565 A N 4.086 126.592 122.820 -0.523 0.000 2.274 565 A HA 0.681 5.000 4.320 -0.001 0.000 0.309 565 A C 0.914 178.141 177.584 -0.595 0.000 1.226 565 A CA -0.294 51.428 52.037 -0.524 0.000 0.853 565 A CB 0.758 19.584 19.000 -0.289 0.000 1.146 565 A HN 0.886 nan 8.150 nan 0.000 0.518 566 G N 1.153 109.523 108.800 -0.717 0.000 3.079 566 G HA2 0.533 4.493 3.960 -0.001 0.000 0.233 566 G HA3 0.533 4.493 3.960 -0.001 0.000 0.233 566 G C 0.834 175.708 174.900 -0.043 0.000 1.062 566 G CA 0.672 45.592 45.100 -0.300 0.000 0.809 566 G HN 2.146 nan 8.290 nan 0.000 0.535 567 G N 0.562 109.323 108.800 -0.065 0.000 2.725 567 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.220 567 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.220 567 G C -2.703 172.248 174.900 0.085 0.000 1.357 567 G CA -0.446 44.664 45.100 0.016 0.000 0.866 567 G HN 0.292 nan 8.290 nan 0.000 0.548 568 P HA 0.358 nan 4.420 nan 0.000 0.267 568 P C 1.021 178.378 177.300 0.096 0.000 1.209 568 P CA 1.782 64.927 63.100 0.076 0.000 0.763 568 P CB 0.740 32.468 31.700 0.047 0.000 0.816 569 G N 2.709 111.573 108.800 0.107 0.000 2.316 569 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.203 569 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.203 569 G C -0.169 174.806 174.900 0.125 0.000 0.999 569 G CA -0.514 44.643 45.100 0.095 0.000 0.649 569 G HN 0.589 nan 8.290 nan 0.000 0.489 570 W N 2.763 124.046 121.300 -0.028 0.000 2.347 570 W HA 0.472 5.131 4.660 -0.001 0.000 0.333 570 W C -1.027 175.457 176.519 -0.059 0.000 1.383 570 W CA 1.379 58.697 57.345 -0.045 0.000 1.283 570 W CB 0.727 30.146 29.460 -0.070 0.000 1.253 570 W HN 0.175 nan 8.180 nan 0.000 0.563 571 D N 8.389 128.414 120.400 -0.625 0.000 2.479 571 D HA 0.220 4.859 4.640 -0.001 0.000 0.246 571 D C -1.688 174.211 176.300 -0.668 0.000 1.336 571 D CA -1.966 51.748 54.000 -0.477 0.000 0.967 571 D CB 1.892 42.552 40.800 -0.232 0.000 1.275 571 D HN 0.098 nan 8.370 nan 0.000 0.577 572 P HA -0.030 nan 4.420 nan 0.000 0.240 572 P C 0.887 177.975 177.300 -0.354 0.000 1.190 572 P CA 0.253 62.934 63.100 -0.698 0.000 0.781 572 P CB 0.227 31.261 31.700 -1.109 0.000 0.931 573 S N 0.978 116.572 115.700 -0.178 0.000 2.507 573 S HA -0.110 4.359 4.470 -0.001 0.000 0.235 573 S C 1.298 175.915 174.600 0.029 0.000 0.988 573 S CA 0.928 59.141 58.200 0.021 0.000 0.944 573 S CB -1.249 61.962 63.200 0.017 0.000 0.762 573 S HN 0.252 nan 8.310 nan 0.000 0.526 574 N N 0.410 119.100 118.700 -0.017 0.000 2.234 574 N HA 0.200 4.940 4.740 -0.001 0.000 0.227 574 N C -1.491 174.070 175.510 0.085 0.000 1.151 574 N CA -0.478 52.589 53.050 0.028 0.000 0.865 574 N CB -0.155 38.338 38.487 0.010 0.000 1.066 574 N HN 0.082 nan 8.380 nan 0.000 0.515 575 D N 0.250 120.715 120.400 0.109 0.000 2.280 575 D HA 0.030 4.669 4.640 -0.001 0.000 0.243 575 D C 0.682 177.134 176.300 0.255 0.000 1.129 575 D CA -0.597 53.539 54.000 0.226 0.000 0.848 575 D CB 1.022 41.968 40.800 0.243 0.000 1.107 575 D HN 0.166 nan 8.370 nan 0.000 0.471 576 W N 2.881 124.240 121.300 0.099 0.000 2.315 576 W HA -0.259 4.400 4.660 -0.001 0.000 0.323 576 W C 1.032 177.572 176.519 0.034 0.000 1.233 576 W CA 1.365 58.722 57.345 0.021 0.000 1.267 576 W CB -0.141 29.341 29.460 0.037 0.000 1.160 576 W HN 0.217 nan 8.180 nan 0.000 0.474 577 S N 0.448 116.261 115.700 0.188 0.000 2.507 577 S HA -0.154 4.315 4.470 -0.001 0.000 0.235 577 S C 1.218 175.842 174.600 0.039 0.000 0.988 577 S CA 0.872 59.071 58.200 -0.002 0.000 0.944 577 S CB -0.699 62.308 63.200 -0.321 0.000 0.762 577 S HN 0.295 nan 8.310 nan 0.000 0.526 578 F N 2.421 122.348 119.950 -0.039 0.000 2.512 578 F HA 0.158 4.684 4.527 -0.001 0.000 0.296 578 F C 0.875 176.688 175.800 0.021 0.000 1.110 578 F CA 0.008 58.082 58.000 0.124 0.000 1.446 578 F CB -0.348 38.755 39.000 0.171 0.000 1.092 578 F HN 0.112 nan 8.300 nan 0.000 0.554 579 Q N 0.461 120.166 119.800 -0.159 0.000 2.264 579 Q HA 0.231 4.570 4.340 -0.001 0.000 0.296 579 Q C 1.287 177.168 176.000 -0.199 0.000 1.103 579 Q CA 0.929 56.537 55.803 -0.326 0.000 0.967 579 Q CB -0.262 28.013 28.738 -0.772 0.000 1.090 579 Q HN 0.584 nan 8.270 nan 0.000 0.379 580 G N 2.881 111.561 108.800 -0.200 0.000 2.199 580 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.254 580 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.254 580 G C 0.230 175.058 174.900 -0.120 0.000 0.982 580 G CA -0.338 44.700 45.100 -0.102 0.000 0.632 580 G HN 0.594 nan 8.290 nan 0.000 0.529 581 I N 1.791 122.216 120.570 -0.241 0.000 2.496 581 I HA 0.505 4.674 4.170 -0.001 0.000 0.285 581 I C 1.296 177.280 176.117 -0.222 0.000 1.080 581 I CA 0.622 61.806 61.300 -0.194 0.000 1.404 581 I CB 1.014 38.898 38.000 -0.193 0.000 1.403 581 I HN 0.222 nan 8.210 nan 0.000 0.539 582 G N 3.870 112.618 108.800 -0.088 0.000 3.257 582 G HA2 0.217 4.176 3.960 -0.001 0.000 0.205 582 G HA3 0.217 4.176 3.960 -0.001 0.000 0.205 582 G C 0.095 174.993 174.900 -0.003 0.000 1.234 582 G CA -0.491 44.577 45.100 -0.053 0.000 0.918 582 G HN 0.624 nan 8.290 nan 0.000 0.602 583 N N 0.041 118.748 118.700 0.011 0.000 2.412 583 N HA 0.113 4.852 4.740 -0.001 0.000 0.184 583 N C -0.370 175.158 175.510 0.030 0.000 1.101 583 N CA 0.263 53.330 53.050 0.028 0.000 0.881 583 N CB 0.476 38.980 38.487 0.029 0.000 0.969 583 N HN 0.210 nan 8.380 nan 0.000 0.459 584 E N 0.895 121.110 120.200 0.025 0.000 2.195 584 E HA 0.171 4.520 4.350 -0.001 0.000 0.271 584 E C -0.798 175.825 176.600 0.037 0.000 0.923 584 E CA -0.919 55.500 56.400 0.031 0.000 0.790 584 E CB 2.153 31.869 29.700 0.027 0.000 1.155 584 E HN -0.022 nan 8.360 nan 0.000 0.402 585 L N 2.234 123.484 121.223 0.045 0.000 2.477 585 L HA 0.329 4.668 4.340 -0.001 0.000 0.272 585 L C -0.499 176.406 176.870 0.059 0.000 1.157 585 L CA 0.495 55.367 54.840 0.054 0.000 0.889 585 L CB -0.142 41.951 42.059 0.057 0.000 1.158 585 L HN 0.648 nan 8.230 nan 0.000 0.473 586 A N 5.570 128.430 122.820 0.066 0.000 2.609 586 A HA 0.778 5.098 4.320 -0.001 0.000 0.291 586 A C -2.874 174.768 177.584 0.098 0.000 1.096 586 A CA -1.402 50.677 52.037 0.070 0.000 0.684 586 A CB 1.104 20.133 19.000 0.049 0.000 1.282 586 A HN 0.512 nan 8.150 nan 0.000 0.412 587 P HA 0.303 nan 4.420 nan 0.000 0.264 587 P C -0.469 176.989 177.300 0.263 0.000 1.193 587 P CA 0.515 63.713 63.100 0.163 0.000 0.763 587 P CB 0.734 32.481 31.700 0.078 0.000 0.810 588 A N 5.866 128.900 122.820 0.357 0.000 2.412 588 A HA 0.442 4.762 4.320 -0.001 0.000 0.334 588 A C -1.776 176.033 177.584 0.375 0.000 1.419 588 A CA -1.379 50.850 52.037 0.320 0.000 0.930 588 A CB 0.296 19.466 19.000 0.284 0.000 1.149 588 A HN 0.348 nan 8.150 nan 0.000 0.515 589 P HA -0.068 nan 4.420 nan 0.000 0.230 589 P C 0.057 176.860 177.300 -0.828 0.000 1.158 589 P CA 1.202 63.938 63.100 -0.605 0.000 0.769 589 P CB 0.001 31.209 31.700 -0.821 0.000 0.807 590 Y N -1.635 118.637 120.300 -0.045 0.000 2.485 590 Y HA 0.278 4.828 4.550 -0.001 0.000 0.260 590 Y C 0.977 177.053 175.900 0.294 0.000 1.173 590 Y CA -0.382 57.708 58.100 -0.017 0.000 1.252 590 Y CB -0.156 38.048 38.460 -0.426 0.000 1.123 590 Y HN -0.121 nan 8.280 nan 0.000 0.524 591 I N 0.976 121.767 120.570 0.368 0.000 2.339 591 I HA 0.260 4.430 4.170 -0.001 0.000 0.290 591 I C -0.680 175.692 176.117 0.425 0.000 0.994 591 I CA -0.825 60.767 61.300 0.486 0.000 1.191 591 I CB 1.338 39.584 38.000 0.409 0.000 1.343 591 I HN -0.293 nan 8.210 nan 0.000 0.458 592 V N 7.232 127.445 119.914 0.498 0.000 2.439 592 V HA 0.299 4.418 4.120 -0.001 0.000 0.282 592 V C -0.152 176.058 176.094 0.193 0.000 1.039 592 V CA -0.611 61.843 62.300 0.256 0.000 0.913 592 V CB 1.757 33.719 31.823 0.231 0.000 0.983 592 V HN 0.401 nan 8.190 nan 0.000 0.460 593 L N 6.213 127.506 121.223 0.117 0.000 2.307 593 L HA 0.617 4.957 4.340 -0.001 0.000 0.284 593 L C -1.154 175.688 176.870 -0.047 0.000 1.023 593 L CA 0.015 54.962 54.840 0.179 0.000 0.810 593 L CB 1.133 43.335 42.059 0.238 0.000 1.231 593 L HN 0.538 nan 8.230 nan 0.000 0.423 594 Y N 2.282 122.691 120.300 0.182 0.000 2.429 594 Y HA 0.467 5.017 4.550 -0.001 0.000 0.342 594 Y C -0.494 175.469 175.900 0.104 0.000 1.004 594 Y CA -0.879 57.296 58.100 0.125 0.000 1.075 594 Y CB 1.642 40.151 38.460 0.083 0.000 1.214 594 Y HN 0.540 nan 8.280 nan 0.000 0.455 595 D N 2.541 123.083 120.400 0.238 0.000 2.460 595 D HA 0.175 4.814 4.640 -0.001 0.000 0.232 595 D C -0.492 175.892 176.300 0.140 0.000 1.079 595 D CA -0.316 53.780 54.000 0.161 0.000 0.864 595 D CB 0.337 41.214 40.800 0.128 0.000 1.048 595 D HN 0.620 nan 8.370 nan 0.000 0.523 596 D N 3.401 123.869 120.400 0.114 0.000 2.723 596 D HA -0.179 4.460 4.640 -0.001 0.000 0.236 596 D C 1.054 177.401 176.300 0.078 0.000 1.138 596 D CA 2.096 56.141 54.000 0.076 0.000 0.676 596 D CB -1.128 39.709 40.800 0.062 0.000 1.069 596 D HN 0.857 nan 8.370 nan 0.000 0.430 597 G N -2.372 106.489 108.800 0.102 0.000 2.225 597 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.254 597 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.254 597 G C 0.363 175.402 174.900 0.232 0.000 0.988 597 G CA 0.217 45.362 45.100 0.076 0.000 0.625 597 G HN 0.951 nan 8.290 nan 0.000 0.527 598 V N 2.501 122.559 119.914 0.241 0.000 2.407 598 V HA 0.462 4.581 4.120 -0.001 0.000 0.278 598 V C -1.761 174.464 176.094 0.218 0.000 1.037 598 V CA -1.651 60.780 62.300 0.219 0.000 0.900 598 V CB 1.584 33.483 31.823 0.128 0.000 0.983 598 V HN 0.081 nan 8.190 nan 0.000 0.459 599 P HA 0.079 nan 4.420 nan 0.000 0.264 599 P C 0.344 177.634 177.300 -0.018 0.000 1.193 599 P CA 0.447 63.477 63.100 -0.118 0.000 0.763 599 P CB 0.834 32.469 31.700 -0.108 0.000 0.810 600 V N 2.932 122.845 119.914 -0.001 0.000 3.539 600 V HA 0.257 4.377 4.120 -0.001 0.000 0.262 600 V C -0.164 176.050 176.094 0.201 0.000 1.381 600 V CA 0.159 62.520 62.300 0.102 0.000 1.060 600 V CB 0.263 32.165 31.823 0.133 0.000 0.842 600 V HN 0.630 nan 8.190 nan 0.000 0.445 601 W N 0.079 121.344 121.300 -0.058 0.000 3.363 601 W HA 0.529 5.188 4.660 -0.002 0.000 0.306 601 W C -0.214 176.270 176.519 -0.058 0.000 1.253 601 W CA 0.171 57.495 57.345 -0.034 0.000 1.195 601 W CB 1.491 30.966 29.460 0.026 0.000 1.366 601 W HN 0.393 nan 8.180 nan 0.000 0.551 602 G N 1.923 110.026 108.800 -1.162 0.000 2.758 602 G HA2 0.133 4.092 3.960 -0.001 0.000 0.686 602 G HA3 0.133 4.092 3.960 -0.001 0.000 0.686 602 G C -0.644 174.011 174.900 -0.408 0.000 1.389 602 G CA -0.218 44.361 45.100 -0.868 0.000 0.845 602 G HN 1.447 nan 8.290 nan 0.000 0.572 603 T N -1.134 113.256 114.554 -0.273 0.000 2.797 603 T HA 0.929 5.278 4.350 -0.001 0.000 0.279 603 T C 0.492 175.276 174.700 0.139 0.000 0.991 603 T CA 0.636 62.696 62.100 -0.066 0.000 0.979 603 T CB 1.897 70.758 68.868 -0.012 0.000 0.943 603 T HN 2.280 nan 8.240 nan 0.000 0.444 604 A N 4.082 126.832 122.820 -0.117 0.000 2.257 604 A HA 0.840 5.159 4.320 -0.001 0.000 0.289 604 A C -2.232 174.793 177.584 -0.932 0.000 1.095 604 A CA -1.692 49.983 52.037 -0.604 0.000 0.836 604 A CB -0.529 18.106 19.000 -0.609 0.000 1.111 604 A HN 0.731 nan 8.150 nan 0.000 0.497 605 P HA 0.000 nan 4.420 nan 0.000 0.216 605 P CA 0.000 62.029 63.100 -1.786 0.000 0.800 605 P CB 0.000 30.709 31.700 -1.652 0.000 0.726