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 1cyg_1_A DATA FIRST_RESID 1 DATA SEQUENCE AGNLNKVNFT SDVVYQIVVD RFVDGNTSNN PSGALFSSGc TNLRKYcGGD DATA SEQUENCE WQGIINKIND GYLTDMGVTA IWISQPVENV FSVMNDASGS ASYHGYWARD DATA SEQUENCE FKKPNPFFGT LSDFQRLVDA AHAKGIKVII DFAPNHTSPA SETNPSYMEN DATA SEQUENCE GRLYDNGTLL GGYTNDANMY FHHNGGTTFS SLEDGIYRNL FDLADLNHQN DATA SEQUENCE PVIDRYLKDA VKMWIDMGID GIRMDAVKHM PFGWQKSLMD EIDNYRPVFT DATA SEQUENCE FGEWFLSENE VDANNHYFAN ESGMSLLDFR FGQKLRQVLR NNSDNWYGFN DATA SEQUENCE QMIQDTASAY DEVLDQVTFI DNHDMDRFMI DGGDPRKVDM ALAVLLTSRG DATA SEQUENCE VPNIYYGTEQ YMTGNGDPNN RKMMSSFNKN TRAYQVIQKL SSLRRNNPAL DATA SEQUENCE AYGDTEQRWI NGDVYVYERQ FGKDVVLVAV NRSSSSNYSI TGLFTALPAG DATA SEQUENCE TYTDQLGGLL DGNTIQVGSN GSVNAFDLGP GEVGVWAYSA TESTPIIGHV DATA SEQUENCE GPMMGQVGHQ VTIDGEGFGT NTGTVKFGTT AANVVSWSNN QIVVAVPNVS DATA SEQUENCE PGKYNITVQS SSGQTSAAYD NFEVLTNDQV SVRFVVNNAT TNLGQNIYIV DATA SEQUENCE GNVYELGNWD TSKAIGPMFN QVVYSYPTWY IDVSVPEGKT IEFKFIKKDS DATA SEQUENCE QGNVTWESGS NHVYTTPTNT TGKIIVDWQN 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.555 177.584 -0.048 0.000 1.274 1 A CA 0.000 52.016 52.037 -0.036 0.000 0.836 1 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 2 G N -0.026 108.737 108.800 -0.062 0.000 2.455 2 G HA2 0.484 4.444 3.960 0.000 0.000 0.223 2 G HA3 0.484 4.444 3.960 0.000 0.000 0.223 2 G C -0.855 173.994 174.900 -0.085 0.000 1.226 2 G CA 0.026 45.088 45.100 -0.064 0.000 0.948 2 G HN 2.128 nan 8.290 nan 0.000 0.478 3 N N 0.777 119.429 118.700 -0.080 0.000 2.555 3 N HA 0.449 5.189 4.740 0.000 0.000 0.244 3 N C -0.107 175.335 175.510 -0.114 0.000 1.114 3 N CA -0.446 52.551 53.050 -0.088 0.000 0.963 3 N CB 0.719 39.169 38.487 -0.062 0.000 1.276 3 N HN 0.355 nan 8.380 nan 0.000 0.510 4 L N 2.105 123.237 121.223 -0.152 0.000 2.439 4 L HA 0.256 4.596 4.340 0.000 0.000 0.269 4 L C 0.262 177.040 176.870 -0.154 0.000 1.179 4 L CA 0.157 54.888 54.840 -0.181 0.000 0.828 4 L CB 0.433 42.349 42.059 -0.239 0.000 1.106 4 L HN 0.701 nan 8.230 nan 0.000 0.467 5 N N 1.666 120.256 118.700 -0.182 0.000 2.469 5 N HA 0.175 4.915 4.740 0.000 0.000 0.253 5 N C 0.424 175.873 175.510 -0.101 0.000 0.970 5 N CA -0.213 52.758 53.050 -0.132 0.000 0.940 5 N CB 0.919 39.317 38.487 -0.149 0.000 1.128 5 N HN 0.419 nan 8.380 nan 0.000 0.503 6 K N 1.300 121.717 120.400 0.029 0.000 2.418 6 K HA 0.020 4.340 4.320 0.000 0.000 0.195 6 K C 1.280 178.076 176.600 0.326 0.000 1.035 6 K CA 0.579 56.987 56.287 0.201 0.000 1.003 6 K CB 0.373 32.974 32.500 0.170 0.000 0.793 6 K HN 0.465 nan 8.250 nan 0.000 0.494 7 V N -1.821 118.216 119.914 0.204 0.000 3.276 7 V HA 0.311 4.431 4.120 0.000 0.000 0.319 7 V C -0.602 175.588 176.094 0.159 0.000 1.427 7 V CA -0.516 61.933 62.300 0.249 0.000 1.102 7 V CB 0.051 32.002 31.823 0.214 0.000 1.020 7 V HN 0.084 nan 8.190 nan 0.000 0.456 8 N N 0.096 118.779 118.700 -0.028 0.000 2.621 8 N HA 0.423 5.163 4.740 0.000 0.000 0.271 8 N C -0.784 174.510 175.510 -0.359 0.000 1.181 8 N CA -0.498 52.327 53.050 -0.376 0.000 0.805 8 N CB 1.205 39.470 38.487 -0.370 0.000 1.351 8 N HN 0.167 nan 8.380 nan 0.000 0.539 9 F N 0.467 119.995 119.950 -0.705 0.000 2.678 9 F HA 0.121 4.648 4.527 0.000 0.000 0.305 9 F C 2.326 177.847 175.800 -0.465 0.000 1.090 9 F CA 0.262 57.913 58.000 -0.582 0.000 1.272 9 F CB 0.305 38.837 39.000 -0.779 0.000 1.060 9 F HN 0.498 nan 8.300 nan 0.000 0.576 10 T N -3.791 110.563 114.554 -0.334 0.000 2.849 10 T HA -0.190 4.160 4.350 0.000 0.000 0.270 10 T C 1.972 176.482 174.700 -0.318 0.000 1.066 10 T CA 1.799 63.721 62.100 -0.297 0.000 1.130 10 T CB -0.436 68.257 68.868 -0.293 0.000 0.864 10 T HN 0.093 nan 8.240 nan 0.000 0.481 11 S N 1.016 116.511 115.700 -0.343 0.000 2.597 11 S HA 0.248 4.719 4.470 0.000 0.000 0.224 11 S C -0.425 174.040 174.600 -0.226 0.000 0.955 11 S CA -0.585 57.428 58.200 -0.311 0.000 0.933 11 S CB -0.225 62.775 63.200 -0.333 0.000 0.788 11 S HN 0.559 nan 8.310 nan 0.000 0.488 12 D N 0.126 120.415 120.400 -0.185 0.000 2.326 12 D HA 0.456 5.096 4.640 0.000 0.000 0.251 12 D C -0.741 175.536 176.300 -0.038 0.000 1.023 12 D CA -0.251 53.678 54.000 -0.119 0.000 0.966 12 D CB 1.610 42.329 40.800 -0.135 0.000 1.156 12 D HN -0.107 nan 8.370 nan 0.000 0.494 13 V N 1.602 121.514 119.914 -0.003 0.000 2.376 13 V HA 0.317 4.437 4.120 0.000 0.000 0.287 13 V C -0.352 175.816 176.094 0.123 0.000 1.015 13 V CA -0.749 61.575 62.300 0.039 0.000 0.834 13 V CB 1.497 33.321 31.823 0.003 0.000 1.001 13 V HN 0.285 nan 8.190 nan 0.000 0.428 14 V N 4.852 124.875 119.914 0.181 0.000 2.539 14 V HA 0.384 4.504 4.120 0.000 0.000 0.292 14 V C -0.801 175.467 176.094 0.290 0.000 1.045 14 V CA -0.725 61.742 62.300 0.279 0.000 0.945 14 V CB 1.595 33.629 31.823 0.351 0.000 0.993 14 V HN 0.768 nan 8.190 nan 0.000 0.464 15 Y N 3.818 124.224 120.300 0.176 0.000 2.464 15 Y HA 0.358 4.908 4.550 0.000 0.000 0.326 15 Y C 0.274 176.253 175.900 0.131 0.000 0.969 15 Y CA -0.216 57.957 58.100 0.122 0.000 1.270 15 Y CB 1.095 39.582 38.460 0.046 0.000 1.103 15 Y HN 0.675 nan 8.280 nan 0.000 0.491 16 Q N 6.807 126.502 119.800 -0.176 0.000 2.322 16 Q HA 0.465 4.806 4.340 0.000 0.000 0.256 16 Q C -1.388 174.418 176.000 -0.323 0.000 0.960 16 Q CA -0.372 55.283 55.803 -0.246 0.000 0.934 16 Q CB 0.670 29.157 28.738 -0.418 0.000 1.200 16 Q HN 0.783 nan 8.270 nan 0.000 0.435 17 I N 3.865 124.236 120.570 -0.332 0.000 2.433 17 I HA 0.242 4.413 4.170 0.000 0.000 0.292 17 I C -0.286 175.606 176.117 -0.374 0.000 1.001 17 I CA -0.985 60.083 61.300 -0.387 0.000 1.119 17 I CB 2.033 39.776 38.000 -0.427 0.000 1.289 17 I HN 0.381 nan 8.210 nan 0.000 0.438 18 V N 7.925 127.579 119.914 -0.434 0.000 2.270 18 V HA 0.168 4.288 4.120 0.000 0.000 0.263 18 V C 1.055 176.973 176.094 -0.293 0.000 1.066 18 V CA -0.205 61.921 62.300 -0.290 0.000 0.857 18 V CB 0.793 32.565 31.823 -0.085 0.000 1.099 18 V HN 0.719 nan 8.190 nan 0.000 0.476 19 V N 3.891 123.626 119.914 -0.299 0.000 2.243 19 V HA -0.376 3.745 4.120 0.000 0.000 0.258 19 V C 2.281 178.287 176.094 -0.146 0.000 1.073 19 V CA 2.995 65.102 62.300 -0.322 0.000 1.069 19 V CB -1.246 30.039 31.823 -0.897 0.000 0.681 19 V HN 1.019 nan 8.190 nan 0.000 0.457 20 D N -0.398 119.965 120.400 -0.062 0.000 2.172 20 D HA -0.191 4.449 4.640 0.000 0.000 0.196 20 D C 1.965 178.325 176.300 0.101 0.000 0.999 20 D CA 1.288 55.398 54.000 0.183 0.000 0.856 20 D CB -0.069 40.912 40.800 0.301 0.000 0.934 20 D HN 0.379 nan 8.370 nan 0.000 0.453 21 R N -0.687 119.823 120.500 0.016 0.000 2.466 21 R HA 0.115 4.455 4.340 0.000 0.000 0.279 21 R C 0.805 177.093 176.300 -0.020 0.000 0.976 21 R CA -0.222 55.870 56.100 -0.013 0.000 1.081 21 R CB -0.317 29.972 30.300 -0.018 0.000 1.215 21 R HN 0.282 nan 8.270 nan 0.000 0.546 22 F N 0.563 120.435 119.950 -0.130 0.000 2.231 22 F HA 0.189 4.716 4.527 0.000 0.000 0.267 22 F C 0.413 176.288 175.800 0.125 0.000 1.108 22 F CA 0.398 58.372 58.000 -0.043 0.000 1.098 22 F CB 0.420 39.383 39.000 -0.061 0.000 1.088 22 F HN -0.342 nan 8.300 nan 0.000 0.541 23 V N 0.901 120.857 119.914 0.071 0.000 2.733 23 V HA 0.225 4.346 4.120 0.000 0.000 0.306 23 V C -1.612 174.538 176.094 0.092 0.000 1.084 23 V CA -0.991 61.315 62.300 0.010 0.000 0.905 23 V CB 1.594 33.379 31.823 -0.063 0.000 1.010 23 V HN 0.239 nan 8.190 nan 0.000 0.424 24 D N 3.151 123.590 120.400 0.065 0.000 2.468 24 D HA 0.367 5.007 4.640 0.000 0.000 0.218 24 D C 1.130 177.468 176.300 0.064 0.000 1.155 24 D CA 0.434 54.490 54.000 0.092 0.000 0.924 24 D CB 1.333 42.198 40.800 0.108 0.000 1.029 24 D HN 0.603 nan 8.370 nan 0.000 0.515 25 G N 3.411 112.259 108.800 0.081 0.000 2.408 25 G HA2 -0.163 3.797 3.960 0.000 0.000 0.215 25 G HA3 -0.163 3.797 3.960 0.000 0.000 0.215 25 G C 0.735 175.670 174.900 0.059 0.000 1.156 25 G CA -0.069 45.071 45.100 0.066 0.000 0.793 25 G HN 0.492 nan 8.290 nan 0.000 0.535 26 N N -0.550 118.192 118.700 0.070 0.000 2.573 26 N HA 0.238 4.978 4.740 0.000 0.000 0.262 26 N C 0.620 176.155 175.510 0.042 0.000 1.029 26 N CA -0.281 52.801 53.050 0.053 0.000 0.882 26 N CB 1.393 39.918 38.487 0.063 0.000 1.204 26 N HN -0.148 nan 8.380 nan 0.000 0.519 27 T N 0.794 115.361 114.554 0.022 0.000 2.951 27 T HA -0.002 4.348 4.350 0.000 0.000 0.268 27 T C 1.303 175.976 174.700 -0.045 0.000 1.073 27 T CA 1.297 63.393 62.100 -0.006 0.000 1.134 27 T CB 0.187 69.054 68.868 -0.002 0.000 0.884 27 T HN 0.464 nan 8.240 nan 0.000 0.479 28 S N 2.199 117.885 115.700 -0.024 0.000 2.447 28 S HA -0.072 4.399 4.470 0.000 0.000 0.233 28 S C 1.638 176.223 174.600 -0.026 0.000 1.006 28 S CA 1.001 59.182 58.200 -0.032 0.000 0.957 28 S CB -0.271 62.920 63.200 -0.015 0.000 0.773 28 S HN 0.785 nan 8.310 nan 0.000 0.507 29 N N 1.237 119.937 118.700 -0.001 0.000 2.322 29 N HA 0.050 4.790 4.740 0.000 0.000 0.194 29 N C -0.594 174.958 175.510 0.070 0.000 1.126 29 N CA -0.137 52.932 53.050 0.032 0.000 0.845 29 N CB -0.540 37.968 38.487 0.034 0.000 0.976 29 N HN 0.049 nan 8.380 nan 0.000 0.475 30 N N 2.242 120.911 118.700 -0.052 0.000 2.492 30 N HA 0.216 4.957 4.740 0.000 0.000 0.260 30 N C -2.339 172.992 175.510 -0.298 0.000 1.215 30 N CA -0.928 51.996 53.050 -0.210 0.000 0.923 30 N CB 0.318 38.526 38.487 -0.465 0.000 1.092 30 N HN 0.249 nan 8.380 nan 0.000 0.448 31 P HA 0.269 nan 4.420 nan 0.000 0.276 31 P C -0.413 176.602 177.300 -0.475 0.000 1.252 31 P CA -0.494 62.232 63.100 -0.624 0.000 0.802 31 P CB 0.844 31.741 31.700 -1.339 0.000 1.035 32 S N -1.129 114.413 115.700 -0.264 0.000 2.841 32 S HA 0.824 5.294 4.470 0.000 0.000 0.318 32 S C 0.429 175.022 174.600 -0.012 0.000 1.127 32 S CA -0.051 58.063 58.200 -0.144 0.000 0.883 32 S CB 0.650 63.767 63.200 -0.139 0.000 1.271 32 S HN 0.873 nan 8.310 nan 0.000 0.567 33 G N 0.780 109.597 108.800 0.028 0.000 2.601 33 G HA2 0.084 4.044 3.960 0.000 0.000 0.261 33 G HA3 0.084 4.044 3.960 0.000 0.000 0.261 33 G C 0.847 175.789 174.900 0.071 0.000 1.289 33 G CA 0.328 45.452 45.100 0.040 0.000 0.920 33 G HN 1.971 nan 8.290 nan 0.000 0.571 34 A N -1.265 121.587 122.820 0.053 0.000 2.277 34 A HA 0.322 4.642 4.320 0.000 0.000 0.208 34 A C 2.207 179.832 177.584 0.069 0.000 1.202 34 A CA 2.128 54.199 52.037 0.056 0.000 0.762 34 A CB -0.218 18.813 19.000 0.051 0.000 0.770 34 A HN 1.134 nan 8.150 nan 0.000 0.487 35 L N -2.447 118.819 121.223 0.071 0.000 2.463 35 L HA 0.414 4.754 4.340 0.000 0.000 0.219 35 L C 0.175 177.127 176.870 0.137 0.000 1.088 35 L CA 0.754 55.637 54.840 0.072 0.000 0.849 35 L CB -0.246 41.779 42.059 -0.056 0.000 1.012 35 L HN 0.393 nan 8.230 nan 0.000 0.468 36 F N -0.840 119.072 119.950 -0.063 0.000 2.480 36 F HA 0.556 5.083 4.527 0.000 0.000 0.329 36 F C 0.108 175.890 175.800 -0.030 0.000 1.091 36 F CA -0.871 57.097 58.000 -0.053 0.000 0.972 36 F CB 1.665 40.605 39.000 -0.101 0.000 1.150 36 F HN -0.247 nan 8.300 nan 0.000 0.467 37 S N 4.329 119.473 115.700 -0.927 0.000 2.745 37 S HA 0.329 4.799 4.470 0.000 0.000 0.283 37 S C -0.834 173.162 174.600 -1.006 0.000 1.170 37 S CA -0.482 57.309 58.200 -0.680 0.000 1.119 37 S CB 0.532 63.510 63.200 -0.371 0.000 1.035 37 S HN 0.711 nan 8.310 nan 0.000 0.483 38 S N 3.210 118.469 115.700 -0.736 0.000 2.516 38 S HA 0.485 4.955 4.470 0.000 0.000 0.282 38 S C 1.478 175.955 174.600 -0.205 0.000 1.286 38 S CA 1.181 59.175 58.200 -0.344 0.000 1.066 38 S CB 0.078 63.333 63.200 0.091 0.000 0.884 38 S HN 1.835 nan 8.310 nan 0.000 0.491 39 G N 2.612 111.328 108.800 -0.141 0.000 2.199 39 G HA2 -0.299 3.661 3.960 0.000 0.000 0.254 39 G HA3 -0.299 3.661 3.960 0.000 0.000 0.254 39 G C 0.817 175.645 174.900 -0.120 0.000 0.982 39 G CA 0.079 45.125 45.100 -0.090 0.000 0.632 39 G HN 1.698 nan 8.290 nan 0.000 0.529 40 c N 0.012 118.492 118.600 -0.200 0.000 4.356 40 c HA -0.236 4.335 4.570 0.000 0.000 0.296 40 c C 2.671 176.675 174.090 -0.143 0.000 1.424 40 c CA 2.662 58.878 56.329 -0.189 0.000 2.000 40 c CB -2.335 40.096 42.510 -0.132 0.000 1.262 40 c HN 2.045 nan 8.230 nan 0.000 0.789 41 T N -2.356 112.116 114.554 -0.137 0.000 2.915 41 T HA -0.127 4.223 4.350 0.000 0.000 0.269 41 T C 0.505 175.146 174.700 -0.097 0.000 1.071 41 T CA 1.886 63.928 62.100 -0.097 0.000 1.132 41 T CB -0.230 68.588 68.868 -0.082 0.000 0.878 41 T HN 0.924 nan 8.240 nan 0.000 0.479 42 N N 0.548 119.171 118.700 -0.128 0.000 2.569 42 N HA 0.202 4.943 4.740 0.000 0.000 0.254 42 N C 0.286 175.688 175.510 -0.180 0.000 1.004 42 N CA -0.680 52.297 53.050 -0.122 0.000 0.904 42 N CB 0.805 39.230 38.487 -0.103 0.000 1.165 42 N HN -0.042 nan 8.380 nan 0.000 0.513 43 L N 2.913 124.031 121.223 -0.174 0.000 2.633 43 L HA 0.022 4.362 4.340 0.000 0.000 0.235 43 L C 1.778 178.396 176.870 -0.419 0.000 1.163 43 L CA 1.114 55.800 54.840 -0.256 0.000 0.859 43 L CB -0.817 41.158 42.059 -0.140 0.000 0.973 43 L HN 0.630 nan 8.230 nan 0.000 0.451 44 R N -1.137 119.195 120.500 -0.281 0.000 2.393 44 R HA 0.132 4.472 4.340 0.000 0.000 0.244 44 R C 0.248 176.430 176.300 -0.196 0.000 0.920 44 R CA 0.053 56.032 56.100 -0.202 0.000 1.076 44 R CB 0.592 30.894 30.300 0.005 0.000 1.119 44 R HN 0.230 nan 8.270 nan 0.000 0.524 45 K N -0.542 119.682 120.400 -0.293 0.000 2.346 45 K HA 0.266 4.586 4.320 0.000 0.000 0.238 45 K C -1.026 175.445 176.600 -0.215 0.000 1.039 45 K CA -0.959 55.239 56.287 -0.148 0.000 0.861 45 K CB 1.233 33.683 32.500 -0.082 0.000 1.278 45 K HN -0.181 nan 8.250 nan 0.000 0.460 46 Y N 0.209 120.447 120.300 -0.102 0.000 2.620 46 Y HA -0.111 4.440 4.550 0.000 0.000 0.330 46 Y C 1.067 176.894 175.900 -0.121 0.000 1.186 46 Y CA 0.059 58.139 58.100 -0.034 0.000 1.467 46 Y CB 0.349 38.783 38.460 -0.044 0.000 1.262 46 Y HN 0.569 nan 8.280 nan 0.000 0.550 47 c N 0.577 119.216 118.600 0.066 0.000 2.820 47 c HA 0.351 4.921 4.570 0.000 0.000 0.323 47 c C 1.793 176.014 174.090 0.219 0.000 1.279 47 c CA 0.624 56.928 56.329 -0.042 0.000 1.790 47 c CB -0.170 42.284 42.510 -0.093 0.000 2.328 47 c HN 1.185 nan 8.230 nan 0.000 0.579 48 G N -0.168 108.837 108.800 0.342 0.000 2.421 48 G HA2 0.012 3.972 3.960 0.000 0.000 0.188 48 G HA3 0.012 3.972 3.960 0.000 0.000 0.188 48 G C 0.390 175.443 174.900 0.256 0.000 1.001 48 G CA -0.077 45.230 45.100 0.346 0.000 0.693 48 G HN 0.725 nan 8.290 nan 0.000 0.479 49 G N 1.087 110.020 108.800 0.222 0.000 2.340 49 G HA2 0.504 4.464 3.960 0.000 0.000 0.245 49 G HA3 0.504 4.464 3.960 0.000 0.000 0.245 49 G C 0.005 175.019 174.900 0.190 0.000 1.294 49 G CA 0.998 46.203 45.100 0.175 0.000 0.896 49 G HN 0.766 nan 8.290 nan 0.000 0.522 50 D N 0.176 120.665 120.400 0.149 0.000 2.758 50 D HA 0.339 4.979 4.640 0.000 0.000 0.279 50 D C 0.679 177.063 176.300 0.141 0.000 1.111 50 D CA -0.926 53.128 54.000 0.090 0.000 1.109 50 D CB 0.457 41.326 40.800 0.115 0.000 1.428 50 D HN 0.318 nan 8.370 nan 0.000 0.586 51 W N -0.615 120.776 121.300 0.152 0.000 2.381 51 W HA -0.039 4.622 4.660 0.000 0.000 0.301 51 W C 2.104 178.665 176.519 0.070 0.000 1.205 51 W CA 0.800 58.198 57.345 0.088 0.000 1.285 51 W CB -1.078 28.453 29.460 0.120 0.000 1.133 51 W HN 0.503 nan 8.180 nan 0.000 0.521 52 Q N 0.717 120.688 119.800 0.285 0.000 2.152 52 Q HA -0.125 4.215 4.340 0.000 0.000 0.206 52 Q C 2.302 178.392 176.000 0.150 0.000 0.985 52 Q CA 2.546 58.455 55.803 0.178 0.000 0.863 52 Q CB -1.069 27.747 28.738 0.131 0.000 0.904 52 Q HN 0.184 nan 8.270 nan 0.000 0.422 53 G N 0.675 109.578 108.800 0.173 0.000 2.553 53 G HA2 -0.287 3.673 3.960 0.000 0.000 0.218 53 G HA3 -0.287 3.673 3.960 0.000 0.000 0.218 53 G C 1.456 176.496 174.900 0.234 0.000 1.195 53 G CA 1.353 46.559 45.100 0.178 0.000 0.779 53 G HN 0.463 nan 8.290 nan 0.000 0.577 54 I N 0.519 121.250 120.570 0.269 0.000 2.179 54 I HA -0.150 4.021 4.170 0.000 0.000 0.242 54 I C 2.688 178.888 176.117 0.138 0.000 1.088 54 I CA 0.891 62.323 61.300 0.221 0.000 1.357 54 I CB -0.304 37.759 38.000 0.104 0.000 1.051 54 I HN 0.127 nan 8.210 nan 0.000 0.409 55 I N 1.024 121.655 120.570 0.101 0.000 2.335 55 I HA -0.311 3.859 4.170 0.000 0.000 0.251 55 I C 2.016 178.168 176.117 0.059 0.000 1.129 55 I CA 1.782 63.116 61.300 0.056 0.000 1.402 55 I CB -0.644 37.382 38.000 0.043 0.000 1.069 55 I HN 0.298 nan 8.210 nan 0.000 0.424 56 N N 0.447 119.188 118.700 0.067 0.000 2.166 56 N HA -0.166 4.574 4.740 0.000 0.000 0.186 56 N C 1.592 177.124 175.510 0.036 0.000 1.019 56 N CA 0.811 53.879 53.050 0.029 0.000 0.856 56 N CB 0.040 38.522 38.487 -0.009 0.000 0.993 56 N HN 0.190 nan 8.380 nan 0.000 0.426 57 K N 0.704 121.167 120.400 0.104 0.000 2.296 57 K HA 0.060 4.380 4.320 0.000 0.000 0.200 57 K C 1.731 178.424 176.600 0.155 0.000 1.048 57 K CA 0.494 56.885 56.287 0.173 0.000 0.966 57 K CB -0.106 32.638 32.500 0.408 0.000 0.754 57 K HN 0.329 nan 8.250 nan 0.000 0.466 58 I N 1.275 121.904 120.570 0.099 0.000 2.277 58 I HA -0.232 3.938 4.170 0.000 0.000 0.243 58 I C 1.695 177.838 176.117 0.043 0.000 1.094 58 I CA 1.139 62.471 61.300 0.054 0.000 1.393 58 I CB -0.241 37.772 38.000 0.021 0.000 1.078 58 I HN 0.233 nan 8.210 nan 0.000 0.417 59 N N 0.681 119.404 118.700 0.037 0.000 2.270 59 N HA -0.185 4.555 4.740 0.000 0.000 0.181 59 N C 1.078 176.605 175.510 0.029 0.000 1.016 59 N CA 1.217 54.283 53.050 0.026 0.000 0.870 59 N CB -0.130 38.368 38.487 0.018 0.000 0.979 59 N HN 0.444 nan 8.380 nan 0.000 0.431 60 D N -0.139 120.283 120.400 0.036 0.000 2.349 60 D HA 0.036 4.676 4.640 0.000 0.000 0.224 60 D C 1.261 177.602 176.300 0.069 0.000 1.029 60 D CA 0.606 54.627 54.000 0.034 0.000 0.879 60 D CB -0.099 40.701 40.800 0.001 0.000 0.906 60 D HN 0.281 nan 8.370 nan 0.000 0.528 61 G N -0.077 108.773 108.800 0.084 0.000 2.199 61 G HA2 -0.443 3.518 3.960 0.000 0.000 0.254 61 G HA3 -0.443 3.518 3.960 0.000 0.000 0.254 61 G C 0.728 175.717 174.900 0.149 0.000 0.982 61 G CA 0.399 45.555 45.100 0.094 0.000 0.632 61 G HN 0.382 nan 8.290 nan 0.000 0.529 62 Y N 0.666 121.028 120.300 0.104 0.000 2.151 62 Y HA -0.022 4.528 4.550 0.000 0.000 0.284 62 Y C 2.536 178.523 175.900 0.146 0.000 1.166 62 Y CA 2.521 60.743 58.100 0.203 0.000 1.163 62 Y CB -0.197 38.423 38.460 0.267 0.000 0.974 62 Y HN 0.271 nan 8.280 nan 0.000 0.511 63 L N -0.376 120.842 121.223 -0.007 0.000 2.095 63 L HA -0.123 4.218 4.340 0.000 0.000 0.204 63 L C 2.825 179.577 176.870 -0.196 0.000 1.080 63 L CA 2.342 57.059 54.840 -0.205 0.000 0.759 63 L CB -1.644 40.351 42.059 -0.106 0.000 0.914 63 L HN 0.502 nan 8.230 nan 0.000 0.439 64 T N -4.018 110.485 114.554 -0.085 0.000 2.896 64 T HA -0.109 4.241 4.350 0.000 0.000 0.263 64 T C 1.404 176.062 174.700 -0.071 0.000 1.050 64 T CA 1.038 63.096 62.100 -0.070 0.000 1.140 64 T CB -0.297 68.554 68.868 -0.028 0.000 0.877 64 T HN 0.175 nan 8.240 nan 0.000 0.457 65 D N 0.343 120.726 120.400 -0.028 0.000 2.363 65 D HA 0.113 4.753 4.640 0.000 0.000 0.220 65 D C 1.646 177.923 176.300 -0.039 0.000 0.994 65 D CA 0.321 54.334 54.000 0.021 0.000 0.890 65 D CB -0.173 40.694 40.800 0.111 0.000 0.906 65 D HN 0.436 nan 8.370 nan 0.000 0.530 66 M N -0.754 118.674 119.600 -0.287 0.000 2.514 66 M HA 0.076 4.556 4.480 0.000 0.000 0.258 66 M C 1.024 177.084 176.300 -0.400 0.000 1.119 66 M CA 0.882 55.751 55.300 -0.718 0.000 1.111 66 M CB 0.481 32.420 32.600 -1.102 0.000 1.390 66 M HN 0.177 nan 8.290 nan 0.000 0.475 67 G N 0.481 109.139 108.800 -0.236 0.000 2.175 67 G HA2 -0.204 3.756 3.960 0.000 0.000 0.244 67 G HA3 -0.204 3.756 3.960 0.000 0.000 0.244 67 G C 0.063 174.880 174.900 -0.138 0.000 0.982 67 G CA 0.146 45.151 45.100 -0.158 0.000 0.641 67 G HN 0.327 nan 8.290 nan 0.000 0.527 68 V N 1.062 120.875 119.914 -0.167 0.000 2.694 68 V HA 0.377 4.498 4.120 0.000 0.000 0.306 68 V C 1.497 177.554 176.094 -0.062 0.000 1.054 68 V CA 1.814 64.056 62.300 -0.096 0.000 1.161 68 V CB 1.395 33.125 31.823 -0.155 0.000 0.916 68 V HN 0.369 nan 8.190 nan 0.000 0.490 69 T N 2.790 117.331 114.554 -0.021 0.000 2.986 69 T HA 0.484 4.834 4.350 0.000 0.000 0.264 69 T C 0.107 174.805 174.700 -0.004 0.000 0.964 69 T CA 0.670 62.748 62.100 -0.037 0.000 0.895 69 T CB 0.689 69.508 68.868 -0.082 0.000 1.163 69 T HN 0.861 nan 8.240 nan 0.000 0.517 70 A N 0.965 123.836 122.820 0.084 0.000 2.488 70 A HA 0.786 5.106 4.320 0.000 0.000 0.298 70 A C -1.847 175.889 177.584 0.253 0.000 1.044 70 A CA -0.532 51.620 52.037 0.192 0.000 0.693 70 A CB 1.266 20.464 19.000 0.330 0.000 1.272 70 A HN 0.200 nan 8.150 nan 0.000 0.402 71 I N 1.613 122.334 120.570 0.250 0.000 2.404 71 I HA 0.665 4.835 4.170 0.000 0.000 0.293 71 I C -1.284 175.036 176.117 0.340 0.000 0.992 71 I CA -0.295 61.155 61.300 0.251 0.000 1.149 71 I CB 1.489 39.560 38.000 0.120 0.000 1.315 71 I HN 0.701 nan 8.210 nan 0.000 0.446 72 W N 9.798 131.175 121.300 0.129 0.000 2.411 72 W HA 0.651 5.311 4.660 0.000 0.000 0.317 72 W C -1.283 175.256 176.519 0.033 0.000 1.030 72 W CA -1.603 55.807 57.345 0.108 0.000 1.239 72 W CB 0.652 30.212 29.460 0.166 0.000 1.304 72 W HN 0.394 nan 8.180 nan 0.000 0.437 73 I N 2.534 123.343 120.570 0.398 0.000 2.910 73 I HA 0.652 4.822 4.170 0.000 0.000 0.310 73 I C 0.406 176.609 176.117 0.144 0.000 1.043 73 I CA -0.984 60.384 61.300 0.113 0.000 1.053 73 I CB 1.659 39.695 38.000 0.059 0.000 1.242 73 I HN 0.193 nan 8.210 nan 0.000 0.452 74 S N 1.860 117.532 115.700 -0.047 0.000 2.560 74 S HA -0.069 4.401 4.470 0.000 0.000 0.276 74 S C 0.041 174.646 174.600 0.009 0.000 1.350 74 S CA -0.280 57.860 58.200 -0.099 0.000 1.024 74 S CB 0.195 63.279 63.200 -0.193 0.000 0.864 74 S HN 0.736 nan 8.310 nan 0.000 0.536 75 Q N 2.945 122.698 119.800 -0.079 0.000 2.247 75 Q HA 0.019 4.360 4.340 0.000 0.000 0.288 75 Q C -1.482 174.523 176.000 0.008 0.000 1.079 75 Q CA -1.231 54.527 55.803 -0.074 0.000 0.932 75 Q CB 0.607 29.275 28.738 -0.116 0.000 1.133 75 Q HN 0.334 nan 8.270 nan 0.000 0.377 76 P HA -0.075 nan 4.420 nan 0.000 0.225 76 P C 0.317 177.650 177.300 0.055 0.000 1.156 76 P CA 0.227 63.398 63.100 0.117 0.000 0.787 76 P CB 0.202 31.657 31.700 -0.408 0.000 0.802 77 V N 1.697 121.494 119.914 -0.194 0.000 3.032 77 V HA -0.093 4.027 4.120 0.000 0.000 0.307 77 V C 1.105 177.138 176.094 -0.102 0.000 1.097 77 V CA 0.070 62.332 62.300 -0.063 0.000 1.191 77 V CB -0.212 31.469 31.823 -0.237 0.000 0.964 77 V HN 0.168 nan 8.190 nan 0.000 0.494 78 E N 3.306 123.467 120.200 -0.065 0.000 2.415 78 E HA 0.022 4.372 4.350 0.000 0.000 0.260 78 E C -0.308 176.127 176.600 -0.276 0.000 1.016 78 E CA -0.207 56.091 56.400 -0.170 0.000 0.924 78 E CB 0.265 29.934 29.700 -0.052 0.000 0.961 78 E HN 0.650 nan 8.360 nan 0.000 0.459 79 N N 1.898 120.350 118.700 -0.413 0.000 2.476 79 N HA 0.204 4.944 4.740 0.000 0.000 0.276 79 N C -0.920 174.257 175.510 -0.555 0.000 1.204 79 N CA -0.587 52.254 53.050 -0.348 0.000 0.974 79 N CB 1.385 39.721 38.487 -0.252 0.000 1.204 79 N HN 0.312 nan 8.380 nan 0.000 0.543 80 V N -0.520 119.263 119.914 -0.218 0.000 2.843 80 V HA 0.179 4.299 4.120 0.000 0.000 0.305 80 V C 0.195 176.174 176.094 -0.192 0.000 1.065 80 V CA 0.335 62.560 62.300 -0.126 0.000 1.116 80 V CB -0.163 31.709 31.823 0.081 0.000 0.968 80 V HN 0.552 nan 8.190 nan 0.000 0.487 81 F N 0.943 120.961 119.950 0.113 0.000 2.664 81 F HA 0.349 4.877 4.527 0.000 0.000 0.303 81 F C 1.432 177.290 175.800 0.096 0.000 1.092 81 F CA -0.097 57.975 58.000 0.120 0.000 1.305 81 F CB 0.012 39.060 39.000 0.081 0.000 1.054 81 F HN 0.510 nan 8.300 nan 0.000 0.565 82 S N 0.320 116.151 115.700 0.218 0.000 2.632 82 S HA 0.595 5.065 4.470 0.000 0.000 0.271 82 S C -0.048 174.628 174.600 0.126 0.000 1.260 82 S CA -0.619 57.658 58.200 0.129 0.000 1.010 82 S CB 1.699 64.921 63.200 0.038 0.000 0.965 82 S HN -0.092 nan 8.310 nan 0.000 0.534 83 V N 2.373 122.342 119.914 0.092 0.000 2.667 83 V HA 0.459 4.579 4.120 0.000 0.000 0.308 83 V C 0.171 176.303 176.094 0.063 0.000 1.048 83 V CA -0.944 61.423 62.300 0.111 0.000 0.928 83 V CB 1.526 33.415 31.823 0.110 0.000 1.004 83 V HN 0.888 nan 8.190 nan 0.000 0.444 84 M N 1.958 121.618 119.600 0.099 0.000 2.207 84 M HA 0.223 4.703 4.480 0.000 0.000 0.311 84 M C 1.007 177.367 176.300 0.101 0.000 1.127 84 M CA 0.042 55.388 55.300 0.077 0.000 1.181 84 M CB 0.495 33.173 32.600 0.130 0.000 1.409 84 M HN 0.737 nan 8.290 nan 0.000 0.461 85 N N 0.566 119.349 118.700 0.138 0.000 2.446 85 N HA -0.027 4.713 4.740 0.000 0.000 0.179 85 N C -0.698 174.865 175.510 0.088 0.000 1.054 85 N CA 0.295 53.420 53.050 0.126 0.000 0.905 85 N CB -0.312 38.283 38.487 0.180 0.000 0.973 85 N HN 0.603 nan 8.380 nan 0.000 0.448 86 D N -0.213 120.243 120.400 0.095 0.000 2.354 86 D HA 0.054 4.694 4.640 0.000 0.000 0.238 86 D C 1.216 177.547 176.300 0.052 0.000 1.250 86 D CA 0.027 54.067 54.000 0.067 0.000 0.911 86 D CB 0.432 41.279 40.800 0.079 0.000 1.163 86 D HN 0.020 nan 8.370 nan 0.000 0.456 87 A N 0.508 123.350 122.820 0.036 0.000 1.908 87 A HA -0.205 4.115 4.320 0.000 0.000 0.218 87 A C 2.245 179.845 177.584 0.027 0.000 1.181 87 A CA 2.277 54.329 52.037 0.025 0.000 0.627 87 A CB -1.011 17.998 19.000 0.015 0.000 0.818 87 A HN 0.544 nan 8.150 nan 0.000 0.445 88 S N -1.546 114.174 115.700 0.033 0.000 2.387 88 S HA 0.249 4.719 4.470 0.000 0.000 0.226 88 S C 1.226 175.850 174.600 0.040 0.000 1.026 88 S CA 1.548 59.766 58.200 0.030 0.000 0.972 88 S CB -0.503 62.717 63.200 0.033 0.000 0.814 88 S HN 1.993 nan 8.310 nan 0.000 0.477 89 G N 1.252 110.092 108.800 0.066 0.000 2.545 89 G HA2 -0.181 3.779 3.960 0.000 0.000 0.279 89 G HA3 -0.181 3.779 3.960 0.000 0.000 0.279 89 G C -0.176 174.790 174.900 0.110 0.000 1.131 89 G CA 0.201 45.349 45.100 0.081 0.000 1.100 89 G HN 0.489 nan 8.290 nan 0.000 0.525 90 S N 0.201 115.999 115.700 0.163 0.000 2.515 90 S HA 0.558 5.028 4.470 0.000 0.000 0.285 90 S C 0.948 175.741 174.600 0.320 0.000 1.265 90 S CA 0.583 58.934 58.200 0.252 0.000 1.079 90 S CB 1.151 64.576 63.200 0.376 0.000 0.877 90 S HN 1.666 nan 8.310 nan 0.000 0.493 91 A N 2.695 125.659 122.820 0.240 0.000 2.282 91 A HA 0.655 4.976 4.320 0.000 0.000 0.324 91 A C 0.828 178.361 177.584 -0.084 0.000 1.119 91 A CA -0.661 51.506 52.037 0.218 0.000 0.880 91 A CB 0.578 19.720 19.000 0.236 0.000 1.294 91 A HN 0.840 nan 8.150 nan 0.000 0.493 92 S N -0.492 115.147 115.700 -0.102 0.000 2.768 92 S HA 0.030 4.500 4.470 0.000 0.000 0.246 92 S C 0.998 174.935 174.600 -1.105 0.000 1.006 92 S CA 0.425 58.233 58.200 -0.654 0.000 1.075 92 S CB -1.224 61.911 63.200 -0.110 0.000 0.786 92 S HN 0.973 nan 8.310 nan 0.000 0.468 93 Y N 3.048 122.464 120.300 -1.474 0.000 2.102 93 Y HA -0.339 4.211 4.550 0.000 0.000 0.280 93 Y C 2.061 177.515 175.900 -0.743 0.000 1.178 93 Y CA 1.983 59.132 58.100 -1.585 0.000 1.146 93 Y CB -1.552 36.322 38.460 -0.977 0.000 0.968 93 Y HN 0.623 nan 8.280 nan 0.000 0.504 94 H N -0.779 117.491 119.070 -1.334 0.000 2.563 94 H HA 0.262 4.819 4.556 0.000 0.000 0.272 94 H C 1.884 176.837 175.328 -0.625 0.000 1.005 94 H CA 0.073 55.523 56.048 -0.996 0.000 1.171 94 H CB -0.865 28.302 29.762 -0.991 0.000 1.351 94 H HN 0.562 nan 8.280 nan 0.000 0.602 95 G N -0.049 108.466 108.800 -0.475 0.000 2.187 95 G HA2 -0.400 3.560 3.960 0.000 0.000 0.261 95 G HA3 -0.400 3.560 3.960 0.000 0.000 0.261 95 G C 0.318 175.090 174.900 -0.212 0.000 1.000 95 G CA 0.819 45.773 45.100 -0.243 0.000 0.718 95 G HN 0.566 nan 8.290 nan 0.000 0.519 96 Y N -1.760 118.671 120.300 0.218 0.000 2.466 96 Y HA 0.324 4.874 4.550 0.000 0.000 0.272 96 Y C 1.018 177.173 175.900 0.424 0.000 1.169 96 Y CA -0.369 57.873 58.100 0.236 0.000 1.285 96 Y CB 0.346 38.843 38.460 0.061 0.000 1.078 96 Y HN 0.415 nan 8.280 nan 0.000 0.523 97 W N 1.378 122.869 121.300 0.318 0.000 1.967 97 W HA 0.680 5.340 4.660 0.000 0.000 0.296 97 W C 0.191 176.706 176.519 -0.007 0.000 0.817 97 W CA -2.148 55.319 57.345 0.204 0.000 1.981 97 W CB -0.742 28.822 29.460 0.173 0.000 2.207 97 W HN -0.170 nan 8.180 nan 0.000 0.374 98 A N 1.680 124.547 122.820 0.079 0.000 2.520 98 A HA 0.224 4.545 4.320 0.000 0.000 0.235 98 A C 1.455 178.988 177.584 -0.085 0.000 1.065 98 A CA 0.576 52.460 52.037 -0.256 0.000 0.764 98 A CB 0.681 19.104 19.000 -0.963 0.000 1.002 98 A HN 0.620 nan 8.150 nan 0.000 0.502 99 R N -0.541 119.888 120.500 -0.119 0.000 2.320 99 R HA 0.126 4.466 4.340 0.000 0.000 0.193 99 R C -0.944 175.468 176.300 0.187 0.000 0.885 99 R CA 0.586 56.734 56.100 0.081 0.000 1.085 99 R CB 0.659 30.988 30.300 0.047 0.000 1.253 99 R HN 0.759 nan 8.270 nan 0.000 0.636 100 D N -0.481 119.957 120.400 0.063 0.000 2.470 100 D HA 0.100 4.741 4.640 0.000 0.000 0.233 100 D C -0.544 175.869 176.300 0.188 0.000 1.372 100 D CA -0.465 53.681 54.000 0.244 0.000 0.994 100 D CB 0.682 41.640 40.800 0.262 0.000 1.377 100 D HN 0.007 nan 8.370 nan 0.000 0.586 101 F N 1.894 122.055 119.950 0.352 0.000 2.722 101 F HA 0.109 4.636 4.527 0.000 0.000 0.298 101 F C 2.046 178.051 175.800 0.341 0.000 1.175 101 F CA 0.709 58.867 58.000 0.264 0.000 1.462 101 F CB 0.262 39.344 39.000 0.138 0.000 1.111 101 F HN 0.166 nan 8.300 nan 0.000 0.592 102 K N -0.278 120.355 120.400 0.388 0.000 2.358 102 K HA 0.129 4.449 4.320 0.000 0.000 0.200 102 K C 0.147 176.836 176.600 0.148 0.000 1.030 102 K CA 0.134 56.550 56.287 0.216 0.000 1.097 102 K CB 0.489 33.059 32.500 0.116 0.000 0.862 102 K HN 0.076 nan 8.250 nan 0.000 0.534 103 K N 0.772 121.312 120.400 0.233 0.000 2.400 103 K HA 0.433 4.753 4.320 0.000 0.000 0.246 103 K C -3.015 173.764 176.600 0.299 0.000 0.995 103 K CA -2.327 54.063 56.287 0.171 0.000 0.840 103 K CB 1.381 33.943 32.500 0.103 0.000 1.293 103 K HN -0.289 nan 8.250 nan 0.000 0.445 104 P HA 0.065 nan 4.420 nan 0.000 0.274 104 P C -1.009 176.344 177.300 0.087 0.000 1.246 104 P CA -0.489 62.829 63.100 0.363 0.000 0.795 104 P CB 0.356 32.288 31.700 0.386 0.000 1.006 105 N N 1.556 120.241 118.700 -0.026 0.000 2.406 105 N HA 0.110 4.850 4.740 0.000 0.000 0.251 105 N C -1.322 173.900 175.510 -0.481 0.000 1.069 105 N CA -1.805 51.022 53.050 -0.372 0.000 0.947 105 N CB 0.587 38.735 38.487 -0.565 0.000 1.111 105 N HN 0.249 nan 8.380 nan 0.000 0.497 106 P HA -0.141 nan 4.420 nan 0.000 0.220 106 P C 0.614 177.597 177.300 -0.529 0.000 1.148 106 P CA 1.097 63.903 63.100 -0.490 0.000 0.803 106 P CB 0.018 31.426 31.700 -0.487 0.000 0.782 107 F N -1.126 118.623 119.950 -0.335 0.000 2.234 107 F HA -0.031 4.496 4.527 0.000 0.000 0.299 107 F C 2.133 177.831 175.800 -0.170 0.000 1.087 107 F CA 0.757 58.572 58.000 -0.310 0.000 1.340 107 F CB -1.665 37.043 39.000 -0.487 0.000 1.031 107 F HN -0.186 nan 8.300 nan 0.000 0.500 108 F N -0.081 119.672 119.950 -0.329 0.000 2.416 108 F HA 0.438 4.965 4.527 0.000 0.000 0.296 108 F C 1.426 176.650 175.800 -0.960 0.000 1.099 108 F CA 0.324 57.860 58.000 -0.774 0.000 1.427 108 F CB -0.903 37.351 39.000 -1.242 0.000 1.079 108 F HN -0.011 nan 8.300 nan 0.000 0.536 109 G N -0.716 107.783 108.800 -0.502 0.000 2.369 109 G HA2 0.277 4.237 3.960 0.000 0.000 0.307 109 G HA3 0.277 4.237 3.960 0.000 0.000 0.307 109 G C -0.485 174.448 174.900 0.056 0.000 1.327 109 G CA -0.579 44.441 45.100 -0.134 0.000 0.963 109 G HN 0.243 nan 8.290 nan 0.000 0.590 110 T N -1.504 113.199 114.554 0.247 0.000 2.810 110 T HA 0.523 4.873 4.350 0.000 0.000 0.277 110 T C 1.494 176.472 174.700 0.463 0.000 0.973 110 T CA -0.066 62.188 62.100 0.257 0.000 0.949 110 T CB 0.970 69.937 68.868 0.166 0.000 1.075 110 T HN 0.793 nan 8.240 nan 0.000 0.537 111 L N 0.704 122.110 121.223 0.306 0.000 2.083 111 L HA 0.024 4.364 4.340 0.000 0.000 0.209 111 L C 2.834 179.880 176.870 0.292 0.000 1.083 111 L CA 1.597 56.602 54.840 0.276 0.000 0.752 111 L CB -1.698 40.417 42.059 0.093 0.000 0.899 111 L HN 0.865 nan 8.230 nan 0.000 0.433 112 S N -0.677 115.157 115.700 0.223 0.000 2.371 112 S HA -0.136 4.335 4.470 0.000 0.000 0.224 112 S C 1.524 176.243 174.600 0.198 0.000 1.029 112 S CA 0.958 59.259 58.200 0.169 0.000 0.978 112 S CB -0.143 63.129 63.200 0.120 0.000 0.833 112 S HN 0.457 nan 8.310 nan 0.000 0.466 113 D N 0.823 121.395 120.400 0.288 0.000 2.104 113 D HA -0.106 4.535 4.640 0.000 0.000 0.194 113 D C 1.565 178.040 176.300 0.293 0.000 0.994 113 D CA 0.862 55.061 54.000 0.333 0.000 0.830 113 D CB -0.390 40.693 40.800 0.470 0.000 0.959 113 D HN 0.330 nan 8.370 nan 0.000 0.452 114 F N 1.376 121.481 119.950 0.259 0.000 2.065 114 F HA -0.269 4.259 4.527 0.000 0.000 0.298 114 F C 2.505 178.227 175.800 -0.129 0.000 1.112 114 F CA 1.745 59.646 58.000 -0.166 0.000 1.212 114 F CB -0.278 38.608 39.000 -0.190 0.000 0.975 114 F HN -0.127 nan 8.300 nan 0.000 0.476 115 Q N 0.426 120.259 119.800 0.055 0.000 2.226 115 Q HA -0.168 4.172 4.340 0.000 0.000 0.204 115 Q C 2.276 178.207 176.000 -0.114 0.000 0.975 115 Q CA 1.533 57.320 55.803 -0.026 0.000 0.866 115 Q CB -0.363 28.416 28.738 0.068 0.000 0.915 115 Q HN 0.386 nan 8.270 nan 0.000 0.440 116 R N -0.796 119.662 120.500 -0.070 0.000 2.148 116 R HA -0.058 4.282 4.340 0.000 0.000 0.223 116 R C 1.959 178.177 176.300 -0.136 0.000 1.088 116 R CA 0.850 56.914 56.100 -0.059 0.000 0.985 116 R CB -0.139 30.168 30.300 0.011 0.000 0.880 116 R HN 0.354 nan 8.270 nan 0.000 0.451 117 L N 0.141 121.209 121.223 -0.259 0.000 1.988 117 L HA -0.135 4.205 4.340 0.000 0.000 0.207 117 L C 1.989 178.624 176.870 -0.391 0.000 1.071 117 L CA 1.583 56.218 54.840 -0.341 0.000 0.744 117 L CB -0.529 41.217 42.059 -0.521 0.000 0.893 117 L HN -0.112 nan 8.230 nan 0.000 0.433 118 V N 0.391 119.979 119.914 -0.543 0.000 2.252 118 V HA -0.367 3.753 4.120 0.000 0.000 0.249 118 V C 2.339 178.112 176.094 -0.535 0.000 1.056 118 V CA 2.178 64.131 62.300 -0.578 0.000 1.022 118 V CB -0.968 30.553 31.823 -0.503 0.000 0.641 118 V HN 0.506 nan 8.190 nan 0.000 0.445 119 D N 0.323 120.550 120.400 -0.288 0.000 2.104 119 D HA -0.133 4.507 4.640 0.000 0.000 0.194 119 D C 2.215 178.469 176.300 -0.076 0.000 0.994 119 D CA 1.748 55.682 54.000 -0.111 0.000 0.830 119 D CB -0.505 40.265 40.800 -0.049 0.000 0.959 119 D HN 0.453 nan 8.370 nan 0.000 0.452 120 A N 0.781 123.539 122.820 -0.103 0.000 1.972 120 A HA -0.032 4.288 4.320 0.000 0.000 0.219 120 A C 2.259 179.809 177.584 -0.056 0.000 1.169 120 A CA 2.171 54.173 52.037 -0.058 0.000 0.635 120 A CB -0.639 18.332 19.000 -0.048 0.000 0.810 120 A HN 0.243 nan 8.150 nan 0.000 0.446 121 A N -0.859 121.888 122.820 -0.121 0.000 1.855 121 A HA -0.120 4.200 4.320 0.000 0.000 0.215 121 A C 2.040 179.646 177.584 0.037 0.000 1.191 121 A CA 1.671 53.661 52.037 -0.079 0.000 0.613 121 A CB -0.944 17.962 19.000 -0.156 0.000 0.829 121 A HN 0.565 nan 8.150 nan 0.000 0.442 122 H N 0.132 119.177 119.070 -0.043 0.000 2.289 122 H HA -0.133 4.424 4.556 0.000 0.000 0.296 122 H C 2.504 177.812 175.328 -0.034 0.000 1.091 122 H CA 1.414 57.440 56.048 -0.037 0.000 1.274 122 H CB -0.982 28.762 29.762 -0.030 0.000 1.364 122 H HN 0.488 nan 8.280 nan 0.000 0.490 123 A N 1.092 123.974 122.820 0.103 0.000 1.986 123 A HA -0.169 4.151 4.320 0.000 0.000 0.220 123 A C 1.922 179.519 177.584 0.021 0.000 1.171 123 A CA 1.656 53.719 52.037 0.043 0.000 0.640 123 A CB -0.118 18.897 19.000 0.026 0.000 0.811 123 A HN 0.209 nan 8.150 nan 0.000 0.451 124 K N -1.220 119.194 120.400 0.022 0.000 2.397 124 K HA 0.230 4.550 4.320 0.000 0.000 0.202 124 K C 0.789 177.386 176.600 -0.004 0.000 1.022 124 K CA 0.561 56.850 56.287 0.004 0.000 1.141 124 K CB -0.135 32.365 32.500 0.001 0.000 0.857 124 K HN 0.733 nan 8.250 nan 0.000 0.514 125 G N 2.190 110.991 108.800 0.002 0.000 2.272 125 G HA2 -0.249 3.711 3.960 0.000 0.000 0.280 125 G HA3 -0.249 3.711 3.960 0.000 0.000 0.280 125 G C -0.098 174.789 174.900 -0.021 0.000 1.067 125 G CA 0.003 45.088 45.100 -0.025 0.000 0.902 125 G HN 0.320 nan 8.290 nan 0.000 0.500 126 I N -0.467 120.123 120.570 0.034 0.000 2.466 126 I HA 0.368 4.538 4.170 0.000 0.000 0.289 126 I C 0.478 176.663 176.117 0.114 0.000 1.026 126 I CA -0.977 60.345 61.300 0.036 0.000 1.078 126 I CB 1.805 39.816 38.000 0.019 0.000 1.249 126 I HN -0.029 nan 8.210 nan 0.000 0.429 127 K N 3.875 124.318 120.400 0.071 0.000 2.138 127 K HA 0.614 4.935 4.320 0.000 0.000 0.251 127 K C -0.917 175.809 176.600 0.209 0.000 1.015 127 K CA -0.510 55.872 56.287 0.158 0.000 0.917 127 K CB 1.476 33.978 32.500 0.003 0.000 1.021 127 K HN 0.276 nan 8.250 nan 0.000 0.485 128 V N 3.316 123.378 119.914 0.248 0.000 2.483 128 V HA 0.390 4.510 4.120 0.000 0.000 0.297 128 V C -0.592 175.645 176.094 0.238 0.000 1.027 128 V CA -0.754 61.651 62.300 0.175 0.000 0.855 128 V CB 1.291 33.108 31.823 -0.009 0.000 0.995 128 V HN 0.558 nan 8.190 nan 0.000 0.424 129 I N 6.145 126.859 120.570 0.239 0.000 2.406 129 I HA 0.597 4.767 4.170 0.000 0.000 0.290 129 I C -0.563 175.644 176.117 0.151 0.000 0.999 129 I CA -0.700 60.693 61.300 0.155 0.000 1.124 129 I CB 1.820 39.887 38.000 0.111 0.000 1.289 129 I HN 0.597 nan 8.210 nan 0.000 0.441 130 I N 1.413 122.020 120.570 0.062 0.000 2.562 130 I HA 0.573 4.743 4.170 0.000 0.000 0.301 130 I C -0.449 175.683 176.117 0.026 0.000 1.003 130 I CA -0.533 60.822 61.300 0.091 0.000 1.127 130 I CB 1.025 39.051 38.000 0.044 0.000 1.304 130 I HN 0.261 nan 8.210 nan 0.000 0.446 131 D N 3.599 124.079 120.400 0.133 0.000 2.345 131 D HA 0.383 5.023 4.640 0.000 0.000 0.247 131 D C -1.384 175.001 176.300 0.141 0.000 1.108 131 D CA 0.575 54.658 54.000 0.138 0.000 0.894 131 D CB 0.884 41.804 40.800 0.199 0.000 1.203 131 D HN 0.504 nan 8.370 nan 0.000 0.430 132 F N 1.051 120.993 119.950 -0.014 0.000 2.585 132 F HA 0.510 5.037 4.527 0.000 0.000 0.319 132 F C -1.021 174.862 175.800 0.139 0.000 1.165 132 F CA -0.900 57.120 58.000 0.034 0.000 0.949 132 F CB 1.527 40.512 39.000 -0.025 0.000 1.218 132 F HN 0.283 nan 8.300 nan 0.000 0.453 133 A N 7.718 130.504 122.820 -0.057 0.000 2.938 133 A HA 0.500 4.821 4.320 0.000 0.000 0.344 133 A C -2.359 175.167 177.584 -0.097 0.000 1.142 133 A CA -1.171 50.883 52.037 0.028 0.000 0.841 133 A CB -0.114 19.003 19.000 0.194 0.000 1.083 133 A HN 0.466 nan 8.150 nan 0.000 0.479 134 P HA -0.068 nan 4.420 nan 0.000 0.237 134 P C 0.941 178.257 177.300 0.027 0.000 1.178 134 P CA 0.751 63.710 63.100 -0.235 0.000 0.766 134 P CB 0.240 31.983 31.700 0.073 0.000 0.876 135 N N 0.400 119.142 118.700 0.070 0.000 2.171 135 N HA -0.115 4.625 4.740 0.000 0.000 0.184 135 N C 0.963 176.541 175.510 0.113 0.000 1.021 135 N CA 0.856 54.020 53.050 0.190 0.000 0.854 135 N CB -0.059 38.584 38.487 0.261 0.000 0.994 135 N HN 0.264 nan 8.380 nan 0.000 0.426 136 H N -4.570 114.580 119.070 0.133 0.000 2.943 136 H HA 0.359 4.915 4.556 0.000 0.000 0.323 136 H C -0.203 175.272 175.328 0.245 0.000 1.296 136 H CA -0.578 55.548 56.048 0.130 0.000 1.155 136 H CB 1.085 30.886 29.762 0.065 0.000 1.882 136 H HN -0.113 nan 8.280 nan 0.000 0.553 137 T N -0.306 114.449 114.554 0.336 0.000 3.507 137 T HA 0.311 4.662 4.350 0.000 0.000 0.197 137 T C 0.001 174.899 174.700 0.329 0.000 0.847 137 T CA 1.019 63.301 62.100 0.303 0.000 1.531 137 T CB -0.280 68.789 68.868 0.335 0.000 1.834 137 T HN 0.797 nan 8.240 nan 0.000 0.433 138 S N 0.901 116.688 115.700 0.144 0.000 2.638 138 S HA 0.671 5.141 4.470 0.000 0.000 0.274 138 S C -3.147 171.276 174.600 -0.295 0.000 1.157 138 S CA -1.504 56.644 58.200 -0.086 0.000 0.826 138 S CB 1.263 64.430 63.200 -0.054 0.000 1.139 138 S HN 0.202 nan 8.310 nan 0.000 0.474 139 P HA 0.477 nan 4.420 nan 0.000 0.267 139 P C -1.009 176.138 177.300 -0.255 0.000 1.209 139 P CA 0.252 63.096 63.100 -0.428 0.000 0.763 139 P CB 0.336 31.667 31.700 -0.614 0.000 0.816 140 A N 2.541 125.307 122.820 -0.090 0.000 2.587 140 A HA 0.720 5.041 4.320 0.000 0.000 0.293 140 A C -0.932 176.678 177.584 0.044 0.000 1.087 140 A CA -0.547 51.481 52.037 -0.014 0.000 0.692 140 A CB 1.603 20.404 19.000 -0.333 0.000 1.291 140 A HN 0.348 nan 8.150 nan 0.000 0.407 141 S N -0.153 115.636 115.700 0.147 0.000 2.659 141 S HA 0.365 4.835 4.470 0.000 0.000 0.312 141 S C 0.546 175.231 174.600 0.141 0.000 1.114 141 S CA -0.068 58.158 58.200 0.044 0.000 1.063 141 S CB 1.325 64.472 63.200 -0.088 0.000 0.996 141 S HN 0.805 nan 8.310 nan 0.000 0.478 142 E N 3.248 123.583 120.200 0.224 0.000 2.038 142 E HA -0.136 4.215 4.350 0.000 0.000 0.195 142 E C 1.587 178.233 176.600 0.077 0.000 1.000 142 E CA 1.986 58.513 56.400 0.213 0.000 0.803 142 E CB -0.303 29.504 29.700 0.179 0.000 0.750 142 E HN 0.715 nan 8.360 nan 0.000 0.448 143 T N -0.182 114.398 114.554 0.045 0.000 2.881 143 T HA -0.127 4.223 4.350 0.000 0.000 0.270 143 T C 0.438 175.143 174.700 0.008 0.000 1.068 143 T CA 1.110 63.215 62.100 0.009 0.000 1.131 143 T CB -0.174 68.688 68.868 -0.010 0.000 0.871 143 T HN 0.056 nan 8.240 nan 0.000 0.479 144 N N 0.694 119.405 118.700 0.018 0.000 2.851 144 N HA 0.289 5.029 4.740 0.000 0.000 0.248 144 N C -2.430 173.125 175.510 0.076 0.000 1.221 144 N CA -2.331 50.737 53.050 0.030 0.000 0.847 144 N CB 1.647 40.135 38.487 0.001 0.000 1.150 144 N HN 0.028 nan 8.380 nan 0.000 0.507 145 P HA -0.019 nan 4.420 nan 0.000 0.229 145 P C 0.761 178.106 177.300 0.076 0.000 1.150 145 P CA 0.779 63.920 63.100 0.067 0.000 0.765 145 P CB 0.415 32.141 31.700 0.043 0.000 0.783 146 S N -2.033 113.718 115.700 0.085 0.000 2.496 146 S HA -0.045 4.425 4.470 0.000 0.000 0.224 146 S C 0.553 175.221 174.600 0.113 0.000 0.996 146 S CA -0.321 57.929 58.200 0.083 0.000 0.927 146 S CB -0.809 62.433 63.200 0.069 0.000 0.774 146 S HN 0.136 nan 8.310 nan 0.000 0.524 147 Y N 3.896 124.191 120.300 -0.009 0.000 2.802 147 Y HA 0.002 4.552 4.550 0.000 0.000 0.351 147 Y C 1.053 176.935 175.900 -0.031 0.000 1.237 147 Y CA -0.135 57.949 58.100 -0.027 0.000 1.599 147 Y CB -0.549 37.881 38.460 -0.050 0.000 1.214 147 Y HN 0.116 nan 8.280 nan 0.000 0.520 148 M N 2.413 121.805 119.600 -0.346 0.000 7.319 148 M HA -0.436 4.044 4.480 0.000 0.000 0.292 148 M C 0.490 176.717 176.300 -0.122 0.000 0.480 148 M CA 2.232 57.327 55.300 -0.343 0.000 1.311 148 M CB -1.140 31.056 32.600 -0.673 0.000 0.421 148 M HN 0.738 nan 8.290 nan 0.000 0.545 149 E N 0.780 120.919 120.200 -0.102 0.000 2.968 149 E HA 0.271 4.621 4.350 0.000 0.000 0.202 149 E C 0.187 176.801 176.600 0.023 0.000 0.979 149 E CA 0.176 56.587 56.400 0.019 0.000 1.192 149 E CB 0.211 29.971 29.700 0.100 0.000 1.059 149 E HN 0.638 nan 8.360 nan 0.000 0.470 150 N N 0.657 119.349 118.700 -0.012 0.000 2.713 150 N HA -0.247 4.493 4.740 0.000 0.000 0.251 150 N C 0.692 176.164 175.510 -0.062 0.000 1.117 150 N CA 0.684 53.733 53.050 -0.001 0.000 0.770 150 N CB -0.684 37.824 38.487 0.034 0.000 1.137 150 N HN 0.558 nan 8.380 nan 0.000 0.566 151 G N 0.270 109.021 108.800 -0.082 0.000 2.198 151 G HA2 -0.351 3.609 3.960 0.000 0.000 0.260 151 G HA3 -0.351 3.609 3.960 0.000 0.000 0.260 151 G C 0.120 175.041 174.900 0.034 0.000 1.025 151 G CA 0.697 45.739 45.100 -0.096 0.000 0.769 151 G HN 0.642 nan 8.290 nan 0.000 0.507 152 R N -1.057 119.485 120.500 0.069 0.000 2.583 152 R HA 0.353 4.693 4.340 0.000 0.000 0.274 152 R C 0.331 176.690 176.300 0.098 0.000 0.998 152 R CA -0.081 56.062 56.100 0.072 0.000 1.081 152 R CB 0.337 30.663 30.300 0.043 0.000 0.940 152 R HN 0.293 nan 8.270 nan 0.000 0.413 153 L N 4.773 125.986 121.223 -0.017 0.000 2.305 153 L HA 0.382 4.722 4.340 0.000 0.000 0.284 153 L C -1.495 175.183 176.870 -0.320 0.000 1.013 153 L CA -0.381 54.422 54.840 -0.062 0.000 0.819 153 L CB 0.846 42.856 42.059 -0.083 0.000 1.227 153 L HN 0.444 nan 8.230 nan 0.000 0.417 154 Y N 2.223 122.537 120.300 0.022 0.000 2.496 154 Y HA 0.531 5.081 4.550 0.000 0.000 0.331 154 Y C -0.179 175.760 175.900 0.065 0.000 1.140 154 Y CA -0.670 57.452 58.100 0.037 0.000 1.166 154 Y CB 1.484 39.998 38.460 0.090 0.000 1.249 154 Y HN 0.516 nan 8.280 nan 0.000 0.479 155 D N 1.515 122.067 120.400 0.253 0.000 2.408 155 D HA 0.137 4.778 4.640 0.000 0.000 0.261 155 D C -0.603 175.862 176.300 0.275 0.000 1.190 155 D CA -0.323 53.882 54.000 0.341 0.000 0.910 155 D CB -0.234 40.678 40.800 0.187 0.000 1.097 155 D HN 0.726 nan 8.370 nan 0.000 0.522 156 N N 2.927 121.793 118.700 0.277 0.000 2.725 156 N HA -0.284 4.457 4.740 0.000 0.000 0.251 156 N C 0.935 176.530 175.510 0.142 0.000 1.031 156 N CA 0.815 53.965 53.050 0.167 0.000 0.720 156 N CB -0.723 37.836 38.487 0.120 0.000 0.930 156 N HN 0.761 nan 8.380 nan 0.000 0.543 157 G N -1.956 106.945 108.800 0.169 0.000 2.420 157 G HA2 -0.307 3.653 3.960 0.000 0.000 0.221 157 G HA3 -0.307 3.653 3.960 0.000 0.000 0.221 157 G C 0.256 175.300 174.900 0.240 0.000 1.117 157 G CA 0.293 45.464 45.100 0.118 0.000 0.657 157 G HN 0.465 nan 8.290 nan 0.000 0.512 158 T N 2.801 117.489 114.554 0.223 0.000 2.919 158 T HA 0.518 4.868 4.350 0.000 0.000 0.302 158 T C 0.589 175.428 174.700 0.230 0.000 1.031 158 T CA -0.105 62.118 62.100 0.204 0.000 1.127 158 T CB 1.646 70.587 68.868 0.121 0.000 0.952 158 T HN 0.426 nan 8.240 nan 0.000 0.540 159 L N 3.153 124.451 121.223 0.126 0.000 2.418 159 L HA 0.334 4.674 4.340 0.000 0.000 0.265 159 L C 0.664 177.454 176.870 -0.133 0.000 1.143 159 L CA -0.298 54.443 54.840 -0.165 0.000 0.809 159 L CB 0.771 42.747 42.059 -0.138 0.000 1.124 159 L HN 0.715 nan 8.230 nan 0.000 0.456 160 L N 2.055 123.137 121.223 -0.235 0.000 2.515 160 L HA 0.431 4.771 4.340 0.000 0.000 0.202 160 L C 0.621 177.580 176.870 0.147 0.000 1.056 160 L CA 0.449 55.186 54.840 -0.172 0.000 0.847 160 L CB 0.545 42.261 42.059 -0.571 0.000 1.131 160 L HN 0.783 nan 8.230 nan 0.000 0.484 161 G N -1.171 107.677 108.800 0.081 0.000 2.339 161 G HA2 0.369 4.330 3.960 0.000 0.000 0.302 161 G HA3 0.369 4.330 3.960 0.000 0.000 0.302 161 G C -1.273 173.807 174.900 0.300 0.000 1.425 161 G CA -0.314 44.920 45.100 0.224 0.000 0.899 161 G HN 0.187 nan 8.290 nan 0.000 0.619 162 G N -1.655 107.279 108.800 0.224 0.000 2.601 162 G HA2 0.513 4.473 3.960 0.000 0.000 0.317 162 G HA3 0.513 4.473 3.960 0.000 0.000 0.317 162 G C 0.418 175.306 174.900 -0.020 0.000 1.246 162 G CA -0.246 44.917 45.100 0.105 0.000 1.012 162 G HN 0.699 nan 8.290 nan 0.000 0.494 163 Y N 0.059 120.110 120.300 -0.415 0.000 2.263 163 Y HA 0.069 4.619 4.550 0.000 0.000 0.292 163 Y C 1.892 177.756 175.900 -0.059 0.000 1.130 163 Y CA 1.284 59.122 58.100 -0.437 0.000 1.179 163 Y CB -0.033 38.146 38.460 -0.469 0.000 0.998 163 Y HN 0.299 nan 8.280 nan 0.000 0.532 164 T N 1.802 116.365 114.554 0.015 0.000 2.869 164 T HA 0.121 4.471 4.350 0.000 0.000 0.295 164 T C -0.158 174.514 174.700 -0.047 0.000 0.987 164 T CA -0.172 61.913 62.100 -0.025 0.000 1.109 164 T CB 0.139 69.013 68.868 0.010 0.000 0.932 164 T HN 0.401 nan 8.240 nan 0.000 0.518 165 N N 1.358 119.999 118.700 -0.097 0.000 2.746 165 N HA -0.151 4.589 4.740 0.000 0.000 0.250 165 N C -0.906 174.544 175.510 -0.099 0.000 1.055 165 N CA 0.017 53.007 53.050 -0.099 0.000 0.699 165 N CB -0.485 37.968 38.487 -0.056 0.000 0.919 165 N HN 0.622 nan 8.380 nan 0.000 0.548 166 D N 0.359 120.670 120.400 -0.148 0.000 2.885 166 D HA 0.348 4.988 4.640 0.000 0.000 0.234 166 D C 1.315 177.503 176.300 -0.186 0.000 1.129 166 D CA 0.465 54.412 54.000 -0.088 0.000 0.991 166 D CB -0.210 40.625 40.800 0.059 0.000 1.137 166 D HN 0.470 nan 8.370 nan 0.000 0.459 167 A N 1.934 124.646 122.820 -0.179 0.000 1.915 167 A HA -0.344 3.976 4.320 0.000 0.000 0.220 167 A C 2.024 179.461 177.584 -0.245 0.000 1.198 167 A CA 1.987 53.913 52.037 -0.184 0.000 0.647 167 A CB -0.686 18.227 19.000 -0.145 0.000 0.825 167 A HN 0.567 nan 8.150 nan 0.000 0.456 168 N N -1.263 117.203 118.700 -0.390 0.000 2.223 168 N HA -0.059 4.681 4.740 0.000 0.000 0.185 168 N C 0.054 175.275 175.510 -0.483 0.000 1.016 168 N CA 1.026 53.710 53.050 -0.610 0.000 0.863 168 N CB -0.190 37.463 38.487 -1.391 0.000 0.983 168 N HN 0.383 nan 8.380 nan 0.000 0.429 169 M N -0.619 118.770 119.600 -0.351 0.000 2.505 169 M HA -0.211 4.269 4.480 0.000 0.000 0.194 169 M C -0.818 175.412 176.300 -0.117 0.000 0.771 169 M CA 0.333 55.552 55.300 -0.135 0.000 0.553 169 M CB -1.954 30.586 32.600 -0.100 0.000 1.354 169 M HN 0.263 nan 8.290 nan 0.000 0.874 170 Y N -1.017 119.192 120.300 -0.152 0.000 2.395 170 Y HA 0.188 4.738 4.550 0.000 0.000 0.293 170 Y C 1.049 176.517 175.900 -0.721 0.000 1.123 170 Y CA 0.918 58.703 58.100 -0.525 0.000 1.227 170 Y CB 0.180 38.147 38.460 -0.822 0.000 1.012 170 Y HN 0.396 nan 8.280 nan 0.000 0.552 171 F N -2.362 117.620 119.950 0.054 0.000 2.639 171 F HA 0.469 4.996 4.527 0.000 0.000 0.339 171 F C -0.027 175.722 175.800 -0.084 0.000 1.071 171 F CA -1.810 56.153 58.000 -0.063 0.000 0.994 171 F CB 0.592 39.642 39.000 0.084 0.000 1.341 171 F HN -0.280 nan 8.300 nan 0.000 0.498 172 H N -1.604 117.543 119.070 0.130 0.000 2.482 172 H HA 0.419 4.975 4.556 0.000 0.000 0.344 172 H C -1.066 174.100 175.328 -0.270 0.000 1.151 172 H CA -0.473 55.588 56.048 0.021 0.000 1.300 172 H CB 0.906 30.692 29.762 0.039 0.000 1.494 172 H HN 0.544 nan 8.280 nan 0.000 0.542 173 H N 1.057 120.207 119.070 0.134 0.000 2.616 173 H HA 0.208 4.764 4.556 0.000 0.000 0.229 173 H C -0.395 174.927 175.328 -0.010 0.000 1.418 173 H CA -0.467 55.585 56.048 0.005 0.000 1.248 173 H CB 0.106 29.780 29.762 -0.145 0.000 1.822 173 H HN 0.561 nan 8.280 nan 0.000 0.522 174 N N 1.137 119.868 118.700 0.051 0.000 2.416 174 N HA 0.251 4.992 4.740 0.000 0.000 0.267 174 N C 0.732 176.223 175.510 -0.031 0.000 1.294 174 N CA 0.554 53.593 53.050 -0.019 0.000 0.891 174 N CB 1.466 39.904 38.487 -0.083 0.000 1.238 174 N HN 0.679 nan 8.380 nan 0.000 0.508 175 G N -0.039 108.762 108.800 0.001 0.000 2.750 175 G HA2 -0.121 3.840 3.960 0.000 0.000 0.228 175 G HA3 -0.121 3.840 3.960 0.000 0.000 0.228 175 G C -0.027 174.828 174.900 -0.074 0.000 1.367 175 G CA -0.468 44.615 45.100 -0.029 0.000 0.871 175 G HN 0.483 nan 8.290 nan 0.000 0.560 176 G N -1.075 107.660 108.800 -0.108 0.000 2.434 176 G HA2 0.833 4.793 3.960 0.000 0.000 0.330 176 G HA3 0.833 4.793 3.960 0.000 0.000 0.330 176 G C 0.548 175.301 174.900 -0.245 0.000 1.155 176 G CA 1.042 46.034 45.100 -0.180 0.000 0.917 176 G HN 1.921 nan 8.290 nan 0.000 0.493 177 T N -2.341 111.965 114.554 -0.414 0.000 2.766 177 T HA 0.412 4.763 4.350 0.000 0.000 0.295 177 T C 0.736 175.141 174.700 -0.492 0.000 1.024 177 T CA 0.382 62.145 62.100 -0.562 0.000 1.018 177 T CB 1.428 69.763 68.868 -0.889 0.000 1.002 177 T HN 0.277 nan 8.240 nan 0.000 0.532 178 T N 0.267 114.577 114.554 -0.406 0.000 3.041 178 T HA 0.253 4.603 4.350 0.000 0.000 0.276 178 T C -0.274 174.527 174.700 0.168 0.000 0.948 178 T CA -0.319 61.743 62.100 -0.062 0.000 0.885 178 T CB -0.331 68.501 68.868 -0.060 0.000 1.175 178 T HN 0.666 nan 8.240 nan 0.000 0.529 179 F N 1.598 121.498 119.950 -0.083 0.000 3.091 179 F HA -0.245 4.282 4.527 0.000 0.000 0.288 179 F C 1.586 177.360 175.800 -0.044 0.000 0.907 179 F CA 0.516 58.473 58.000 -0.072 0.000 1.028 179 F CB -2.829 36.128 39.000 -0.071 0.000 1.022 179 F HN 0.250 nan 8.300 nan 0.000 0.665 180 S N -3.247 112.490 115.700 0.063 0.000 2.489 180 S HA 0.317 4.787 4.470 0.000 0.000 0.228 180 S C 0.796 175.416 174.600 0.034 0.000 0.995 180 S CA 0.662 58.887 58.200 0.042 0.000 0.934 180 S CB 0.838 64.041 63.200 0.004 0.000 0.771 180 S HN 0.493 nan 8.310 nan 0.000 0.522 181 S N -0.935 114.778 115.700 0.023 0.000 2.636 181 S HA 0.473 4.943 4.470 0.000 0.000 0.268 181 S C -0.009 174.600 174.600 0.016 0.000 1.159 181 S CA -0.622 57.596 58.200 0.029 0.000 0.815 181 S CB 0.840 64.046 63.200 0.010 0.000 1.130 181 S HN 0.117 nan 8.310 nan 0.000 0.471 182 L N 2.595 123.847 121.223 0.049 0.000 2.017 182 L HA 0.177 4.517 4.340 0.000 0.000 0.208 182 L C 2.141 178.958 176.870 -0.089 0.000 1.073 182 L CA 2.576 57.436 54.840 0.033 0.000 0.745 182 L CB -0.962 41.193 42.059 0.161 0.000 0.894 182 L HN 0.925 nan 8.230 nan 0.000 0.432 183 E N -0.713 119.406 120.200 -0.134 0.000 2.058 183 E HA -0.319 4.031 4.350 0.000 0.000 0.194 183 E C 1.888 178.349 176.600 -0.232 0.000 0.997 183 E CA 1.575 57.716 56.400 -0.433 0.000 0.801 183 E CB -0.161 29.276 29.700 -0.439 0.000 0.746 183 E HN 0.693 nan 8.360 nan 0.000 0.450 184 D N -0.854 119.456 120.400 -0.150 0.000 2.133 184 D HA -0.144 4.496 4.640 0.000 0.000 0.195 184 D C 1.819 177.975 176.300 -0.241 0.000 0.997 184 D CA 1.760 55.663 54.000 -0.160 0.000 0.840 184 D CB -0.437 40.283 40.800 -0.133 0.000 0.947 184 D HN 0.267 nan 8.370 nan 0.000 0.452 185 G N -0.919 107.743 108.800 -0.230 0.000 2.744 185 G HA2 -0.015 3.945 3.960 0.000 0.000 0.211 185 G HA3 -0.015 3.945 3.960 0.000 0.000 0.211 185 G C 1.498 176.297 174.900 -0.168 0.000 1.143 185 G CA 0.319 45.273 45.100 -0.242 0.000 0.788 185 G HN 0.358 nan 8.290 nan 0.000 0.534 186 I N -1.593 118.804 120.570 -0.289 0.000 2.947 186 I HA 0.140 4.310 4.170 0.000 0.000 0.263 186 I C 1.202 176.975 176.117 -0.573 0.000 1.130 186 I CA 0.228 61.255 61.300 -0.455 0.000 1.448 186 I CB 0.275 37.848 38.000 -0.713 0.000 1.222 186 I HN 0.036 nan 8.210 nan 0.000 0.453 187 Y N 1.563 121.736 120.300 -0.211 0.000 2.470 187 Y HA 0.315 4.865 4.550 0.000 0.000 0.284 187 Y C 0.613 176.295 175.900 -0.364 0.000 1.188 187 Y CA -0.205 57.651 58.100 -0.407 0.000 1.269 187 Y CB -0.223 37.973 38.460 -0.440 0.000 1.094 187 Y HN -0.077 nan 8.280 nan 0.000 0.518 188 R N 0.184 120.581 120.500 -0.172 0.000 2.807 188 R HA 0.306 4.647 4.340 0.000 0.000 0.276 188 R C -0.692 175.486 176.300 -0.203 0.000 0.979 188 R CA -1.171 54.825 56.100 -0.172 0.000 0.928 188 R CB 1.026 31.198 30.300 -0.214 0.000 1.191 188 R HN 0.017 nan 8.270 nan 0.000 0.471 189 N N 1.840 120.431 118.700 -0.182 0.000 2.468 189 N HA -0.013 4.728 4.740 0.000 0.000 0.265 189 N C -0.507 174.769 175.510 -0.389 0.000 1.199 189 N CA -0.032 52.883 53.050 -0.224 0.000 0.928 189 N CB 0.560 38.927 38.487 -0.200 0.000 1.059 189 N HN 0.285 nan 8.380 nan 0.000 0.467 190 L N 5.877 126.817 121.223 -0.472 0.000 2.407 190 L HA 0.160 4.500 4.340 0.000 0.000 0.282 190 L C -0.166 176.312 176.870 -0.653 0.000 1.110 190 L CA 0.437 54.801 54.840 -0.793 0.000 0.863 190 L CB -1.099 40.467 42.059 -0.821 0.000 1.207 190 L HN 0.473 nan 8.230 nan 0.000 0.454 191 F N 0.975 120.788 119.950 -0.228 0.000 2.185 191 F HA -0.365 4.162 4.527 0.000 0.000 0.318 191 F C 1.331 177.011 175.800 -0.200 0.000 1.440 191 F CA 1.296 59.197 58.000 -0.164 0.000 0.920 191 F CB -1.374 37.549 39.000 -0.128 0.000 4.125 191 F HN 0.698 nan 8.300 nan 0.000 0.137 192 D N 0.509 120.932 120.400 0.039 0.000 2.571 192 D HA 0.305 4.946 4.640 0.000 0.000 0.239 192 D C -0.208 175.960 176.300 -0.220 0.000 1.267 192 D CA 0.097 54.026 54.000 -0.119 0.000 0.823 192 D CB -0.208 40.540 40.800 -0.087 0.000 1.056 192 D HN 0.173 nan 8.370 nan 0.000 0.494 193 L N 1.823 122.912 121.223 -0.223 0.000 2.410 193 L HA 0.445 4.785 4.340 0.000 0.000 0.273 193 L C 0.831 177.542 176.870 -0.265 0.000 1.152 193 L CA -0.939 53.741 54.840 -0.267 0.000 0.855 193 L CB 0.530 42.354 42.059 -0.392 0.000 1.129 193 L HN 0.138 nan 8.230 nan 0.000 0.463 194 A N 2.755 125.407 122.820 -0.281 0.000 2.484 194 A HA 0.112 4.432 4.320 0.000 0.000 0.268 194 A C 0.092 177.722 177.584 0.077 0.000 1.114 194 A CA -0.281 51.552 52.037 -0.340 0.000 0.780 194 A CB -0.542 18.163 19.000 -0.491 0.000 1.061 194 A HN 0.718 nan 8.150 nan 0.000 0.505 195 D N 2.533 122.973 120.400 0.068 0.000 2.325 195 D HA 0.389 5.030 4.640 0.000 0.000 0.251 195 D C -0.022 176.303 176.300 0.042 0.000 1.196 195 D CA 0.190 54.251 54.000 0.101 0.000 0.866 195 D CB 0.322 41.192 40.800 0.117 0.000 1.101 195 D HN 0.471 nan 8.370 nan 0.000 0.476 196 L N 3.371 124.512 121.223 -0.136 0.000 2.426 196 L HA 0.156 4.497 4.340 0.000 0.000 0.271 196 L C 0.717 177.091 176.870 -0.827 0.000 1.169 196 L CA -0.366 54.184 54.840 -0.483 0.000 0.836 196 L CB 0.413 42.120 42.059 -0.587 0.000 1.112 196 L HN 0.401 nan 8.230 nan 0.000 0.465 197 N N 0.862 119.098 118.700 -0.774 0.000 2.602 197 N HA 0.087 4.828 4.740 0.000 0.000 0.238 197 N C 0.633 175.801 175.510 -0.570 0.000 1.084 197 N CA -0.095 52.537 53.050 -0.697 0.000 0.952 197 N CB 0.307 38.555 38.487 -0.398 0.000 1.244 197 N HN 0.445 nan 8.380 nan 0.000 0.512 198 H N 0.713 119.527 119.070 -0.428 0.000 2.489 198 H HA -0.017 4.540 4.556 0.000 0.000 0.293 198 H C 1.065 176.195 175.328 -0.332 0.000 1.066 198 H CA 0.933 56.579 56.048 -0.671 0.000 1.305 198 H CB 0.517 29.451 29.762 -1.380 0.000 1.386 198 H HN 0.482 nan 8.280 nan 0.000 0.551 199 Q N 0.677 120.472 119.800 -0.009 0.000 2.297 199 Q HA -0.033 4.307 4.340 0.000 0.000 0.204 199 Q C 0.178 176.219 176.000 0.069 0.000 0.962 199 Q CA 0.351 56.217 55.803 0.104 0.000 0.879 199 Q CB -0.399 28.431 28.738 0.155 0.000 0.947 199 Q HN 0.486 nan 8.270 nan 0.000 0.462 200 N N 1.428 120.125 118.700 -0.003 0.000 2.497 200 N HA -0.016 4.725 4.740 0.000 0.000 0.268 200 N C -1.625 173.917 175.510 0.053 0.000 1.171 200 N CA -0.975 52.086 53.050 0.018 0.000 0.948 200 N CB 1.217 39.699 38.487 -0.009 0.000 1.069 200 N HN -0.116 nan 8.380 nan 0.000 0.460 201 P HA -0.188 nan 4.420 nan 0.000 0.215 201 P C 1.245 178.604 177.300 0.097 0.000 1.157 201 P CA 1.119 64.280 63.100 0.102 0.000 0.868 201 P CB 0.102 31.859 31.700 0.094 0.000 0.788 202 V N 0.867 120.835 119.914 0.089 0.000 2.282 202 V HA -0.241 3.879 4.120 0.000 0.000 0.249 202 V C 2.752 178.851 176.094 0.008 0.000 1.057 202 V CA 1.724 64.056 62.300 0.053 0.000 1.032 202 V CB -1.208 30.646 31.823 0.052 0.000 0.645 202 V HN -0.017 nan 8.190 nan 0.000 0.447 203 I N 0.661 121.203 120.570 -0.048 0.000 2.179 203 I HA -0.227 3.943 4.170 0.000 0.000 0.242 203 I C 2.418 178.581 176.117 0.077 0.000 1.088 203 I CA 2.324 63.566 61.300 -0.097 0.000 1.357 203 I CB -1.347 36.491 38.000 -0.270 0.000 1.051 203 I HN 0.472 nan 8.210 nan 0.000 0.409 204 D N 0.646 121.124 120.400 0.129 0.000 2.123 204 D HA -0.261 4.379 4.640 0.000 0.000 0.196 204 D C 2.352 178.828 176.300 0.293 0.000 0.992 204 D CA 1.386 55.588 54.000 0.337 0.000 0.833 204 D CB 0.127 41.157 40.800 0.383 0.000 0.954 204 D HN 0.055 nan 8.370 nan 0.000 0.455 205 R N -1.280 119.336 120.500 0.195 0.000 2.075 205 R HA -0.108 4.233 4.340 0.000 0.000 0.226 205 R C 2.168 178.559 176.300 0.152 0.000 1.114 205 R CA 1.232 57.424 56.100 0.154 0.000 0.972 205 R CB -0.930 29.442 30.300 0.118 0.000 0.869 205 R HN 0.337 nan 8.270 nan 0.000 0.437 206 Y N 0.289 120.609 120.300 0.034 0.000 2.081 206 Y HA -0.279 4.271 4.550 0.000 0.000 0.280 206 Y C 1.526 177.458 175.900 0.052 0.000 1.163 206 Y CA 1.861 59.971 58.100 0.016 0.000 1.135 206 Y CB -0.330 38.095 38.460 -0.058 0.000 0.970 206 Y HN 0.062 nan 8.280 nan 0.000 0.498 207 L N 0.606 121.894 121.223 0.108 0.000 2.017 207 L HA -0.206 4.134 4.340 0.000 0.000 0.208 207 L C 2.368 179.312 176.870 0.124 0.000 1.073 207 L CA 1.830 56.712 54.840 0.070 0.000 0.745 207 L CB -1.369 40.845 42.059 0.258 0.000 0.894 207 L HN 0.156 nan 8.230 nan 0.000 0.432 208 K N -0.386 120.094 120.400 0.134 0.000 2.063 208 K HA -0.177 4.143 4.320 0.000 0.000 0.208 208 K C 1.817 178.373 176.600 -0.073 0.000 1.048 208 K CA 1.342 57.643 56.287 0.022 0.000 0.928 208 K CB -0.188 32.329 32.500 0.028 0.000 0.713 208 K HN 0.218 nan 8.250 nan 0.000 0.442 209 D N -0.241 120.118 120.400 -0.069 0.000 2.097 209 D HA -0.116 4.524 4.640 0.000 0.000 0.195 209 D C 1.727 177.947 176.300 -0.133 0.000 0.989 209 D CA 1.452 55.383 54.000 -0.115 0.000 0.827 209 D CB -0.245 40.502 40.800 -0.088 0.000 0.966 209 D HN 0.238 nan 8.370 nan 0.000 0.456 210 A N 0.364 123.116 122.820 -0.114 0.000 1.858 210 A HA -0.157 4.163 4.320 0.000 0.000 0.216 210 A C 2.436 180.137 177.584 0.195 0.000 1.190 210 A CA 1.577 53.642 52.037 0.048 0.000 0.617 210 A CB -1.087 17.997 19.000 0.141 0.000 0.827 210 A HN 0.186 nan 8.150 nan 0.000 0.443 211 V N -0.123 119.829 119.914 0.064 0.000 2.324 211 V HA -0.324 3.796 4.120 0.000 0.000 0.250 211 V C 2.487 178.486 176.094 -0.159 0.000 1.060 211 V CA 2.964 65.119 62.300 -0.240 0.000 1.042 211 V CB -0.574 30.883 31.823 -0.609 0.000 0.650 211 V HN 0.618 nan 8.190 nan 0.000 0.450 212 K N -0.776 119.467 120.400 -0.262 0.000 2.032 212 K HA -0.177 4.143 4.320 0.000 0.000 0.209 212 K C 2.191 178.657 176.600 -0.223 0.000 1.048 212 K CA 2.180 58.199 56.287 -0.446 0.000 0.927 212 K CB -0.444 31.645 32.500 -0.685 0.000 0.712 212 K HN 0.434 nan 8.250 nan 0.000 0.441 213 M N -1.051 118.436 119.600 -0.189 0.000 2.108 213 M HA -0.221 4.259 4.480 0.000 0.000 0.261 213 M C 1.416 177.531 176.300 -0.309 0.000 1.066 213 M CA 1.858 56.997 55.300 -0.269 0.000 1.107 213 M CB -0.297 32.074 32.600 -0.381 0.000 1.356 213 M HN 0.247 nan 8.290 nan 0.000 0.406 214 W N 0.190 121.449 121.300 -0.068 0.000 2.409 214 W HA -0.067 4.593 4.660 0.000 0.000 0.299 214 W C 2.092 178.614 176.519 0.005 0.000 1.203 214 W CA 0.582 57.895 57.345 -0.054 0.000 1.298 214 W CB -0.526 28.890 29.460 -0.074 0.000 1.127 214 W HN 0.144 nan 8.180 nan 0.000 0.528 215 I N 0.342 121.011 120.570 0.165 0.000 2.208 215 I HA -0.308 3.862 4.170 0.000 0.000 0.245 215 I C 1.879 178.107 176.117 0.185 0.000 1.097 215 I CA 1.396 62.794 61.300 0.163 0.000 1.363 215 I CB -0.523 37.554 38.000 0.128 0.000 1.051 215 I HN -0.088 nan 8.210 nan 0.000 0.413 216 D N 0.571 121.063 120.400 0.153 0.000 2.182 216 D HA -0.170 4.470 4.640 0.000 0.000 0.201 216 D C 2.124 178.489 176.300 0.107 0.000 0.986 216 D CA 1.152 55.232 54.000 0.133 0.000 0.847 216 D CB -0.100 40.749 40.800 0.082 0.000 0.942 216 D HN 0.271 nan 8.370 nan 0.000 0.467 217 M N -1.046 118.628 119.600 0.124 0.000 2.557 217 M HA 0.083 4.563 4.480 0.000 0.000 0.259 217 M C 1.325 177.740 176.300 0.191 0.000 1.086 217 M CA 0.881 56.288 55.300 0.178 0.000 1.096 217 M CB -0.451 32.340 32.600 0.318 0.000 1.424 217 M HN 0.120 nan 8.290 nan 0.000 0.488 218 G N 2.265 111.181 108.800 0.194 0.000 2.140 218 G HA2 -0.195 3.766 3.960 0.000 0.000 0.211 218 G HA3 -0.195 3.766 3.960 0.000 0.000 0.211 218 G C 0.219 175.274 174.900 0.259 0.000 1.013 218 G CA 0.237 45.464 45.100 0.211 0.000 0.705 218 G HN 0.605 nan 8.290 nan 0.000 0.508 219 I N -3.126 117.588 120.570 0.240 0.000 3.381 219 I HA 0.400 4.570 4.170 0.000 0.000 0.275 219 I C 0.703 176.970 176.117 0.250 0.000 1.252 219 I CA 0.102 61.539 61.300 0.229 0.000 1.292 219 I CB 0.443 38.582 38.000 0.232 0.000 1.396 219 I HN -0.080 nan 8.210 nan 0.000 0.637 220 D N 1.144 121.712 120.400 0.280 0.000 2.449 220 D HA 0.296 4.936 4.640 0.000 0.000 0.210 220 D C 0.549 177.084 176.300 0.390 0.000 1.094 220 D CA 0.363 54.570 54.000 0.346 0.000 0.846 220 D CB 1.387 42.424 40.800 0.396 0.000 1.003 220 D HN 0.845 nan 8.370 nan 0.000 0.504 221 G N 0.448 109.399 108.800 0.252 0.000 2.547 221 G HA2 0.531 4.491 3.960 0.000 0.000 0.291 221 G HA3 0.531 4.491 3.960 0.000 0.000 0.291 221 G C -1.740 173.115 174.900 -0.075 0.000 1.471 221 G CA -0.742 44.416 45.100 0.096 0.000 0.798 221 G HN -0.018 nan 8.290 nan 0.000 0.504 222 I N 0.034 120.455 120.570 -0.249 0.000 2.689 222 I HA 0.638 4.808 4.170 0.000 0.000 0.299 222 I C -0.283 175.409 176.117 -0.709 0.000 1.059 222 I CA -1.134 59.953 61.300 -0.355 0.000 1.055 222 I CB 2.501 40.332 38.000 -0.282 0.000 1.243 222 I HN 0.285 nan 8.210 nan 0.000 0.425 223 R N 5.968 126.003 120.500 -0.776 0.000 2.337 223 R HA 0.475 4.815 4.340 0.000 0.000 0.319 223 R C -1.311 174.724 176.300 -0.441 0.000 0.954 223 R CA -0.716 54.694 56.100 -1.151 0.000 0.840 223 R CB 1.135 30.523 30.300 -1.519 0.000 1.164 223 R HN 0.603 nan 8.270 nan 0.000 0.472 224 M N 2.738 122.144 119.600 -0.322 0.000 2.185 224 M HA 0.136 4.616 4.480 0.000 0.000 0.357 224 M C 0.032 176.363 176.300 0.051 0.000 1.260 224 M CA -0.317 54.971 55.300 -0.022 0.000 1.124 224 M CB 0.844 33.465 32.600 0.035 0.000 1.600 224 M HN 0.459 nan 8.290 nan 0.000 0.467 225 D N 2.042 122.528 120.400 0.143 0.000 2.253 225 D HA 0.515 5.155 4.640 0.000 0.000 0.249 225 D C 0.169 176.558 176.300 0.148 0.000 1.049 225 D CA 0.061 54.168 54.000 0.178 0.000 0.929 225 D CB 0.960 41.918 40.800 0.264 0.000 1.176 225 D HN 0.829 nan 8.370 nan 0.000 0.437 226 A N 2.114 125.010 122.820 0.128 0.000 2.511 226 A HA -0.196 4.124 4.320 0.000 0.000 0.297 226 A C 1.552 179.083 177.584 -0.089 0.000 1.476 226 A CA 0.746 52.838 52.037 0.090 0.000 0.757 226 A CB -1.871 17.319 19.000 0.316 0.000 1.072 226 A HN 0.502 nan 8.150 nan 0.000 0.413 227 V N 0.686 120.516 119.914 -0.140 0.000 2.392 227 V HA -0.259 3.861 4.120 0.000 0.000 0.249 227 V C 2.357 178.177 176.094 -0.456 0.000 1.059 227 V CA 2.690 64.858 62.300 -0.221 0.000 1.051 227 V CB -0.300 31.383 31.823 -0.235 0.000 0.658 227 V HN 0.959 nan 8.190 nan 0.000 0.455 228 K N -1.799 118.100 120.400 -0.835 0.000 2.504 228 K HA 0.017 4.337 4.320 0.000 0.000 0.199 228 K C 0.970 176.979 176.600 -0.984 0.000 1.028 228 K CA 0.441 56.004 56.287 -1.207 0.000 1.164 228 K CB -0.066 31.194 32.500 -2.067 0.000 0.877 228 K HN 0.504 nan 8.250 nan 0.000 0.508 229 H N 0.000 118.924 119.070 -0.244 0.000 2.885 229 H HA 0.308 4.864 4.556 0.000 0.000 0.260 229 H C 0.079 175.340 175.328 -0.110 0.000 0.985 229 H CA -0.060 55.877 56.048 -0.185 0.000 1.210 229 H CB 0.318 29.993 29.762 -0.145 0.000 1.466 229 H HN 0.163 nan 8.280 nan 0.000 0.493 230 M N 0.732 120.349 119.600 0.028 0.000 2.478 230 M HA 0.232 4.713 4.480 0.000 0.000 0.327 230 M C -1.464 174.933 176.300 0.161 0.000 1.187 230 M CA -1.884 53.478 55.300 0.103 0.000 1.022 230 M CB 1.948 34.626 32.600 0.130 0.000 1.629 230 M HN -0.198 nan 8.290 nan 0.000 0.461 231 P HA -0.206 nan 4.420 nan 0.000 0.216 231 P C 0.301 177.951 177.300 0.584 0.000 1.167 231 P CA 2.030 65.352 63.100 0.370 0.000 0.933 231 P CB 0.202 32.198 31.700 0.493 0.000 0.793 232 F N -5.117 115.084 119.950 0.418 0.000 2.046 232 F HA -0.142 4.385 4.527 0.000 0.000 0.640 232 F C 1.713 177.677 175.800 0.273 0.000 0.956 232 F CA 1.203 59.441 58.000 0.397 0.000 1.763 232 F CB -1.169 38.067 39.000 0.393 0.000 2.561 232 F HN -0.066 nan 8.300 nan 0.000 0.251 233 G N 0.584 109.661 108.800 0.462 0.000 2.514 233 G HA2 -0.360 3.600 3.960 0.000 0.000 0.217 233 G HA3 -0.360 3.600 3.960 0.000 0.000 0.217 233 G C 1.208 176.202 174.900 0.157 0.000 1.198 233 G CA 1.364 46.666 45.100 0.336 0.000 0.780 233 G HN 0.615 nan 8.290 nan 0.000 0.565 234 W N 1.381 122.744 121.300 0.105 0.000 2.338 234 W HA -0.090 4.570 4.660 0.000 0.000 0.304 234 W C 2.971 179.456 176.519 -0.057 0.000 1.212 234 W CA 1.864 59.236 57.345 0.044 0.000 1.264 234 W CB -0.155 29.344 29.460 0.065 0.000 1.142 234 W HN 0.318 nan 8.180 nan 0.000 0.512 235 Q N -0.089 119.644 119.800 -0.111 0.000 2.084 235 Q HA -0.258 4.082 4.340 0.000 0.000 0.202 235 Q C 2.113 177.850 176.000 -0.439 0.000 0.978 235 Q CA 1.873 57.510 55.803 -0.276 0.000 0.844 235 Q CB -0.389 28.356 28.738 0.011 0.000 0.898 235 Q HN 0.176 nan 8.270 nan 0.000 0.426 236 K N 0.761 120.865 120.400 -0.494 0.000 2.057 236 K HA -0.139 4.181 4.320 0.000 0.000 0.206 236 K C 2.151 178.568 176.600 -0.306 0.000 1.050 236 K CA 1.623 57.645 56.287 -0.442 0.000 0.935 236 K CB -0.205 32.022 32.500 -0.454 0.000 0.715 236 K HN 0.168 nan 8.250 nan 0.000 0.439 237 S N 0.166 115.678 115.700 -0.313 0.000 2.423 237 S HA -0.133 4.338 4.470 0.000 0.000 0.231 237 S C 1.931 176.303 174.600 -0.381 0.000 1.014 237 S CA 0.993 59.029 58.200 -0.274 0.000 0.965 237 S CB -0.371 62.703 63.200 -0.210 0.000 0.785 237 S HN 0.388 nan 8.310 nan 0.000 0.495 238 L N 0.657 121.525 121.223 -0.592 0.000 2.131 238 L HA 0.180 4.520 4.340 0.000 0.000 0.206 238 L C 2.366 179.044 176.870 -0.320 0.000 1.087 238 L CA 1.486 55.988 54.840 -0.563 0.000 0.767 238 L CB -0.553 41.012 42.059 -0.825 0.000 0.917 238 L HN 0.195 nan 8.230 nan 0.000 0.441 239 M N -0.600 118.828 119.600 -0.287 0.000 2.175 239 M HA -0.180 4.300 4.480 0.000 0.000 0.264 239 M C 1.977 178.205 176.300 -0.121 0.000 1.063 239 M CA 1.641 56.830 55.300 -0.186 0.000 1.119 239 M CB -1.423 31.068 32.600 -0.181 0.000 1.377 239 M HN 0.387 nan 8.290 nan 0.000 0.415 240 D N 0.360 120.686 120.400 -0.122 0.000 2.123 240 D HA -0.212 4.428 4.640 0.000 0.000 0.196 240 D C 1.890 178.184 176.300 -0.009 0.000 0.992 240 D CA 1.475 55.453 54.000 -0.037 0.000 0.833 240 D CB 0.160 40.947 40.800 -0.023 0.000 0.954 240 D HN 0.287 nan 8.370 nan 0.000 0.455 241 E N 0.119 120.279 120.200 -0.067 0.000 2.038 241 E HA -0.162 4.188 4.350 0.000 0.000 0.195 241 E C 2.199 178.786 176.600 -0.022 0.000 1.000 241 E CA 1.405 57.774 56.400 -0.052 0.000 0.803 241 E CB -0.434 29.193 29.700 -0.121 0.000 0.750 241 E HN 0.616 nan 8.360 nan 0.000 0.448 242 I N -0.542 119.990 120.570 -0.064 0.000 2.353 242 I HA -0.200 3.970 4.170 0.000 0.000 0.248 242 I C 1.019 177.152 176.117 0.027 0.000 1.119 242 I CA 1.651 62.937 61.300 -0.023 0.000 1.417 242 I CB -0.157 37.798 38.000 -0.076 0.000 1.078 242 I HN -0.031 nan 8.210 nan 0.000 0.421 243 D N 1.596 121.993 120.400 -0.006 0.000 2.117 243 D HA -0.177 4.464 4.640 0.000 0.000 0.197 243 D C 1.937 178.130 176.300 -0.179 0.000 0.987 243 D CA 1.694 55.666 54.000 -0.046 0.000 0.829 243 D CB -0.549 40.258 40.800 0.011 0.000 0.961 243 D HN 0.575 nan 8.370 nan 0.000 0.460 244 N N -0.837 117.837 118.700 -0.044 0.000 2.166 244 N HA -0.186 4.554 4.740 0.000 0.000 0.186 244 N C 1.620 177.115 175.510 -0.025 0.000 1.019 244 N CA 0.556 53.599 53.050 -0.012 0.000 0.856 244 N CB -0.061 38.531 38.487 0.174 0.000 0.993 244 N HN 0.166 nan 8.380 nan 0.000 0.426 245 Y N 0.682 120.934 120.300 -0.080 0.000 2.114 245 Y HA 0.043 4.594 4.550 0.000 0.000 0.284 245 Y C 0.662 176.522 175.900 -0.066 0.000 1.119 245 Y CA 1.172 59.237 58.100 -0.058 0.000 1.108 245 Y CB 0.476 38.908 38.460 -0.047 0.000 0.995 245 Y HN -0.170 nan 8.280 nan 0.000 0.491 246 R N 0.357 120.886 120.500 0.048 0.000 3.119 246 R HA 0.187 4.527 4.340 0.000 0.000 0.294 246 R C -3.405 172.925 176.300 0.050 0.000 1.267 246 R CA -2.157 53.939 56.100 -0.008 0.000 1.078 246 R CB 0.053 30.375 30.300 0.037 0.000 1.320 246 R HN -0.000 nan 8.270 nan 0.000 0.380 247 P HA 0.112 nan 4.420 nan 0.000 0.265 247 P C -0.551 176.805 177.300 0.093 0.000 1.193 247 P CA -0.110 63.016 63.100 0.044 0.000 0.765 247 P CB 1.156 32.879 31.700 0.039 0.000 0.823 248 V N 4.582 124.561 119.914 0.109 0.000 2.841 248 V HA 0.265 4.386 4.120 0.000 0.000 0.310 248 V C -0.438 175.767 176.094 0.186 0.000 1.090 248 V CA -0.900 61.491 62.300 0.152 0.000 0.930 248 V CB 2.128 34.004 31.823 0.087 0.000 1.014 248 V HN 0.428 nan 8.190 nan 0.000 0.425 249 F N 4.399 124.403 119.950 0.090 0.000 2.541 249 F HA 0.503 5.030 4.527 0.000 0.000 0.378 249 F C 0.443 176.214 175.800 -0.048 0.000 1.068 249 F CA 0.513 58.521 58.000 0.014 0.000 1.199 249 F CB 0.719 39.681 39.000 -0.064 0.000 1.091 249 F HN 0.556 nan 8.300 nan 0.000 0.555 250 T N 7.147 121.427 114.554 -0.458 0.000 2.861 250 T HA 0.712 5.063 4.350 0.000 0.000 0.287 250 T C -1.179 173.244 174.700 -0.462 0.000 1.003 250 T CA -0.539 61.279 62.100 -0.470 0.000 0.977 250 T CB 0.810 69.522 68.868 -0.261 0.000 0.996 250 T HN 0.628 nan 8.240 nan 0.000 0.448 251 F N 0.867 120.478 119.950 -0.565 0.000 2.608 251 F HA 0.835 5.362 4.527 0.000 0.000 0.309 251 F C -0.254 175.441 175.800 -0.174 0.000 1.103 251 F CA -1.164 56.611 58.000 -0.376 0.000 0.954 251 F CB 0.996 39.693 39.000 -0.504 0.000 1.267 251 F HN 0.827 nan 8.300 nan 0.000 0.444 252 G N 0.834 109.697 108.800 0.104 0.000 2.434 252 G HA2 0.495 4.455 3.960 0.000 0.000 0.330 252 G HA3 0.495 4.455 3.960 0.000 0.000 0.330 252 G C -1.721 173.326 174.900 0.245 0.000 1.155 252 G CA -0.725 44.454 45.100 0.131 0.000 0.917 252 G HN 0.878 nan 8.290 nan 0.000 0.493 253 E N 0.730 121.066 120.200 0.227 0.000 2.141 253 E HA 0.147 4.497 4.350 0.000 0.000 0.259 253 E C -1.405 175.383 176.600 0.312 0.000 0.883 253 E CA -0.796 55.825 56.400 0.368 0.000 0.744 253 E CB 1.093 31.028 29.700 0.392 0.000 1.150 253 E HN 0.489 nan 8.360 nan 0.000 0.420 254 W N 8.324 129.706 121.300 0.136 0.000 2.394 254 W HA 0.236 4.896 4.660 0.000 0.000 0.312 254 W C -1.421 175.049 176.519 -0.082 0.000 0.981 254 W CA -1.549 55.785 57.345 -0.017 0.000 1.519 254 W CB -0.038 29.370 29.460 -0.086 0.000 1.304 254 W HN 0.439 nan 8.180 nan 0.000 0.412 255 F N 5.565 125.419 119.950 -0.160 0.000 2.629 255 F HA 0.206 4.733 4.527 0.000 0.000 0.377 255 F C -1.001 174.570 175.800 -0.382 0.000 1.101 255 F CA 0.817 58.393 58.000 -0.707 0.000 1.301 255 F CB 0.563 39.275 39.000 -0.480 0.000 1.062 255 F HN 0.125 nan 8.300 nan 0.000 0.583 256 L N 5.261 125.685 121.223 -1.332 0.000 2.408 256 L HA 0.378 4.718 4.340 0.000 0.000 0.268 256 L C -0.143 176.288 176.870 -0.732 0.000 0.986 256 L CA -0.340 54.179 54.840 -0.535 0.000 0.820 256 L CB 1.916 43.914 42.059 -0.102 0.000 1.303 256 L HN 0.622 nan 8.230 nan 0.000 0.411 257 S N 0.775 116.379 115.700 -0.159 0.000 2.624 257 S HA 0.100 4.570 4.470 0.000 0.000 0.263 257 S C 1.231 175.841 174.600 0.017 0.000 1.287 257 S CA 0.001 58.215 58.200 0.024 0.000 0.990 257 S CB 0.890 64.169 63.200 0.131 0.000 0.950 257 S HN 0.746 nan 8.310 nan 0.000 0.561 258 E N 1.789 122.025 120.200 0.060 0.000 2.149 258 E HA -0.309 4.041 4.350 0.000 0.000 0.215 258 E C 0.405 177.031 176.600 0.043 0.000 1.055 258 E CA 2.370 58.803 56.400 0.055 0.000 0.870 258 E CB -0.183 29.550 29.700 0.054 0.000 0.764 258 E HN 0.650 nan 8.360 nan 0.000 0.463 259 N N 0.018 118.742 118.700 0.040 0.000 2.338 259 N HA 0.135 4.875 4.740 0.000 0.000 0.251 259 N C -1.215 174.318 175.510 0.038 0.000 1.199 259 N CA -0.152 52.919 53.050 0.035 0.000 0.879 259 N CB 0.868 39.371 38.487 0.028 0.000 1.159 259 N HN 0.168 nan 8.380 nan 0.000 0.514 260 E N 1.011 121.237 120.200 0.042 0.000 2.289 260 E HA 0.283 4.633 4.350 0.000 0.000 0.278 260 E C -0.984 175.640 176.600 0.039 0.000 1.032 260 E CA -0.274 56.152 56.400 0.043 0.000 0.854 260 E CB 0.813 30.543 29.700 0.050 0.000 1.046 260 E HN -0.112 nan 8.360 nan 0.000 0.409 261 V N 4.542 124.468 119.914 0.019 0.000 2.531 261 V HA 0.268 4.388 4.120 0.000 0.000 0.301 261 V C -0.812 175.225 176.094 -0.095 0.000 1.034 261 V CA -0.756 61.528 62.300 -0.027 0.000 0.865 261 V CB 1.922 33.759 31.823 0.023 0.000 0.995 261 V HN 0.680 nan 8.190 nan 0.000 0.424 262 D N 3.468 123.714 120.400 -0.258 0.000 2.686 262 D HA 0.552 5.192 4.640 0.000 0.000 0.249 262 D C 0.637 176.667 176.300 -0.451 0.000 1.260 262 D CA -0.026 53.854 54.000 -0.201 0.000 0.910 262 D CB 2.340 43.148 40.800 0.013 0.000 1.323 262 D HN 0.506 nan 8.370 nan 0.000 0.561 263 A N 4.291 126.961 122.820 -0.251 0.000 2.019 263 A HA -0.184 4.136 4.320 0.000 0.000 0.219 263 A C 1.729 179.274 177.584 -0.066 0.000 1.164 263 A CA 1.054 53.008 52.037 -0.138 0.000 0.644 263 A CB -0.349 18.650 19.000 -0.001 0.000 0.805 263 A HN 0.707 nan 8.150 nan 0.000 0.449 264 N N 0.509 119.183 118.700 -0.045 0.000 2.142 264 N HA -0.182 4.558 4.740 0.000 0.000 0.186 264 N C 1.724 177.105 175.510 -0.215 0.000 1.023 264 N CA 1.431 54.512 53.050 0.051 0.000 0.852 264 N CB -0.427 38.246 38.487 0.309 0.000 0.998 264 N HN 0.694 nan 8.380 nan 0.000 0.424 265 N N 1.603 119.897 118.700 -0.678 0.000 2.188 265 N HA -0.171 4.570 4.740 0.000 0.000 0.184 265 N C 1.388 176.700 175.510 -0.330 0.000 1.018 265 N CA 1.253 53.532 53.050 -1.285 0.000 0.858 265 N CB -0.423 37.148 38.487 -1.527 0.000 0.989 265 N HN 0.468 nan 8.380 nan 0.000 0.426 266 H N -1.594 117.351 119.070 -0.209 0.000 2.321 266 H HA -0.149 4.407 4.556 0.000 0.000 0.300 266 H C 1.621 176.938 175.328 -0.017 0.000 1.087 266 H CA 1.690 57.629 56.048 -0.181 0.000 1.319 266 H CB -0.184 29.412 29.762 -0.276 0.000 1.379 266 H HN 0.255 nan 8.280 nan 0.000 0.501 267 Y N 0.495 120.826 120.300 0.052 0.000 2.181 267 Y HA -0.297 4.253 4.550 0.000 0.000 0.288 267 Y C 2.306 178.297 175.900 0.153 0.000 1.146 267 Y CA 1.372 59.502 58.100 0.050 0.000 1.164 267 Y CB -0.434 38.015 38.460 -0.018 0.000 0.982 267 Y HN 0.117 nan 8.280 nan 0.000 0.515 268 F N 0.344 120.402 119.950 0.181 0.000 2.069 268 F HA -0.222 4.305 4.527 0.000 0.000 0.298 268 F C 2.420 178.328 175.800 0.180 0.000 1.113 268 F CA 1.890 60.066 58.000 0.292 0.000 1.214 268 F CB -0.980 38.166 39.000 0.244 0.000 0.978 268 F HN 0.079 nan 8.300 nan 0.000 0.474 269 A N 0.075 123.135 122.820 0.400 0.000 1.908 269 A HA -0.259 4.061 4.320 0.000 0.000 0.218 269 A C 2.028 179.703 177.584 0.152 0.000 1.181 269 A CA 2.169 54.399 52.037 0.322 0.000 0.627 269 A CB -1.217 18.043 19.000 0.433 0.000 0.818 269 A HN 0.651 nan 8.150 nan 0.000 0.445 270 N N -1.104 117.646 118.700 0.083 0.000 2.270 270 N HA -0.093 4.647 4.740 0.000 0.000 0.181 270 N C 1.115 176.544 175.510 -0.135 0.000 1.016 270 N CA 1.130 54.163 53.050 -0.029 0.000 0.870 270 N CB 0.039 38.475 38.487 -0.084 0.000 0.979 270 N HN 0.430 nan 8.380 nan 0.000 0.431 271 E N -0.253 119.809 120.200 -0.230 0.000 2.453 271 E HA 0.033 4.383 4.350 0.000 0.000 0.211 271 E C 1.774 178.311 176.600 -0.105 0.000 0.897 271 E CA 0.241 56.515 56.400 -0.210 0.000 1.063 271 E CB 0.102 29.492 29.700 -0.516 0.000 1.080 271 E HN 0.238 nan 8.360 nan 0.000 0.512 272 S N 0.158 115.718 115.700 -0.233 0.000 2.447 272 S HA 0.027 4.497 4.470 0.000 0.000 0.233 272 S C 1.751 176.137 174.600 -0.357 0.000 1.006 272 S CA 1.223 59.096 58.200 -0.546 0.000 0.957 272 S CB -0.110 62.374 63.200 -1.193 0.000 0.773 272 S HN 0.308 nan 8.310 nan 0.000 0.507 273 G N 0.899 109.573 108.800 -0.209 0.000 2.176 273 G HA2 -0.243 3.718 3.960 0.000 0.000 0.232 273 G HA3 -0.243 3.718 3.960 0.000 0.000 0.232 273 G C -0.158 174.688 174.900 -0.090 0.000 0.986 273 G CA 0.268 45.289 45.100 -0.133 0.000 0.643 273 G HN 0.798 nan 8.290 nan 0.000 0.522 274 M N 1.421 120.963 119.600 -0.096 0.000 2.530 274 M HA 0.712 5.192 4.480 0.000 0.000 0.307 274 M C 0.497 176.844 176.300 0.079 0.000 1.161 274 M CA 0.006 55.297 55.300 -0.014 0.000 0.903 274 M CB 1.991 34.594 32.600 0.006 0.000 1.711 274 M HN 0.526 nan 8.290 nan 0.000 0.451 275 S N 3.010 118.766 115.700 0.093 0.000 2.647 275 S HA 0.878 5.348 4.470 0.000 0.000 0.284 275 S C -0.803 173.919 174.600 0.204 0.000 1.134 275 S CA -0.757 57.527 58.200 0.139 0.000 1.027 275 S CB 1.488 64.772 63.200 0.141 0.000 1.180 275 S HN 0.700 nan 8.310 nan 0.000 0.521 276 L N -0.395 120.914 121.223 0.143 0.000 2.465 276 L HA 0.522 4.862 4.340 0.000 0.000 0.257 276 L C -1.138 175.818 176.870 0.143 0.000 0.988 276 L CA -0.657 54.312 54.840 0.214 0.000 0.827 276 L CB 1.757 43.949 42.059 0.221 0.000 1.397 276 L HN 0.817 nan 8.230 nan 0.000 0.410 277 L N 2.286 123.691 121.223 0.303 0.000 2.540 277 L HA 0.070 4.410 4.340 0.000 0.000 0.276 277 L C -0.060 176.960 176.870 0.250 0.000 1.212 277 L CA 0.278 55.284 54.840 0.276 0.000 0.893 277 L CB 0.165 42.431 42.059 0.346 0.000 1.138 277 L HN 0.543 nan 8.230 nan 0.000 0.491 278 D N 2.780 123.253 120.400 0.123 0.000 2.563 278 D HA 0.076 4.716 4.640 0.000 0.000 0.222 278 D C 0.857 177.116 176.300 -0.068 0.000 1.145 278 D CA -0.025 53.970 54.000 -0.008 0.000 1.001 278 D CB 0.183 40.874 40.800 -0.180 0.000 1.049 278 D HN 0.259 nan 8.370 nan 0.000 0.515 279 F N 1.478 121.534 119.950 0.175 0.000 2.171 279 F HA -0.122 4.405 4.527 0.000 0.000 0.300 279 F C 2.369 178.180 175.800 0.019 0.000 1.090 279 F CA 0.925 59.007 58.000 0.136 0.000 1.293 279 F CB 0.079 39.126 39.000 0.079 0.000 1.013 279 F HN 0.270 nan 8.300 nan 0.000 0.486 280 R N -0.743 119.894 120.500 0.227 0.000 2.073 280 R HA -0.207 4.133 4.340 0.000 0.000 0.234 280 R C 2.264 178.610 176.300 0.077 0.000 1.134 280 R CA 1.768 57.960 56.100 0.153 0.000 0.952 280 R CB -1.392 29.020 30.300 0.186 0.000 0.850 280 R HN 0.318 nan 8.270 nan 0.000 0.433 281 F N 1.412 121.299 119.950 -0.104 0.000 2.084 281 F HA -0.075 4.452 4.527 0.000 0.000 0.296 281 F C 2.313 178.012 175.800 -0.168 0.000 1.111 281 F CA 1.552 59.455 58.000 -0.162 0.000 1.224 281 F CB -0.836 38.043 39.000 -0.202 0.000 0.991 281 F HN 0.054 nan 8.300 nan 0.000 0.471 282 G N 0.211 108.929 108.800 -0.137 0.000 2.721 282 G HA2 -0.340 3.620 3.960 0.000 0.000 0.218 282 G HA3 -0.340 3.620 3.960 0.000 0.000 0.218 282 G C 1.483 176.345 174.900 -0.063 0.000 1.265 282 G CA 1.105 45.972 45.100 -0.389 0.000 0.796 282 G HN 0.394 nan 8.290 nan 0.000 0.620 283 Q N -0.016 119.805 119.800 0.035 0.000 2.152 283 Q HA -0.092 4.248 4.340 0.000 0.000 0.206 283 Q C 2.565 178.583 176.000 0.030 0.000 0.985 283 Q CA 1.096 56.947 55.803 0.080 0.000 0.863 283 Q CB -0.333 28.465 28.738 0.100 0.000 0.904 283 Q HN 0.358 nan 8.270 nan 0.000 0.422 284 K N 0.712 121.108 120.400 -0.007 0.000 2.057 284 K HA -0.081 4.239 4.320 0.000 0.000 0.206 284 K C 2.095 178.707 176.600 0.020 0.000 1.050 284 K CA 0.420 56.702 56.287 -0.009 0.000 0.935 284 K CB -0.369 32.096 32.500 -0.059 0.000 0.715 284 K HN 0.138 nan 8.250 nan 0.000 0.439 285 L N 1.587 122.796 121.223 -0.024 0.000 2.131 285 L HA -0.118 4.222 4.340 0.000 0.000 0.210 285 L C 2.162 179.049 176.870 0.028 0.000 1.092 285 L CA 1.486 56.304 54.840 -0.037 0.000 0.759 285 L CB -0.230 41.748 42.059 -0.136 0.000 0.903 285 L HN 0.053 nan 8.230 nan 0.000 0.435 286 R N -1.153 119.393 120.500 0.076 0.000 2.120 286 R HA -0.165 4.176 4.340 0.000 0.000 0.234 286 R C 2.208 178.480 176.300 -0.046 0.000 1.123 286 R CA 1.545 57.689 56.100 0.073 0.000 0.975 286 R CB -0.302 30.047 30.300 0.082 0.000 0.866 286 R HN 0.548 nan 8.270 nan 0.000 0.446 287 Q N -0.106 119.662 119.800 -0.052 0.000 2.046 287 Q HA -0.107 4.234 4.340 0.000 0.000 0.200 287 Q C 2.159 178.068 176.000 -0.152 0.000 0.975 287 Q CA 1.515 57.267 55.803 -0.085 0.000 0.836 287 Q CB 0.107 28.808 28.738 -0.061 0.000 0.896 287 Q HN 0.161 nan 8.270 nan 0.000 0.428 288 V N 0.390 120.165 119.914 -0.231 0.000 2.488 288 V HA -0.146 3.975 4.120 0.000 0.000 0.246 288 V C 1.846 177.730 176.094 -0.350 0.000 1.046 288 V CA 1.319 63.369 62.300 -0.418 0.000 1.053 288 V CB -0.172 31.181 31.823 -0.782 0.000 0.679 288 V HN 0.329 nan 8.190 nan 0.000 0.458 289 L N -0.772 120.340 121.223 -0.185 0.000 2.609 289 L HA 0.244 4.584 4.340 0.000 0.000 0.230 289 L C 2.305 179.187 176.870 0.020 0.000 1.087 289 L CA 0.562 55.405 54.840 0.005 0.000 0.874 289 L CB 0.059 42.227 42.059 0.183 0.000 1.114 289 L HN 0.301 nan 8.230 nan 0.000 0.488 290 R N -0.907 119.488 120.500 -0.176 0.000 2.561 290 R HA 0.127 4.467 4.340 0.000 0.000 0.213 290 R C 0.916 177.068 176.300 -0.247 0.000 0.885 290 R CA 0.304 56.165 56.100 -0.398 0.000 1.002 290 R CB 0.254 29.944 30.300 -1.017 0.000 1.432 290 R HN 0.181 nan 8.270 nan 0.000 0.651 291 N N 0.213 118.806 118.700 -0.179 0.000 2.294 291 N HA 0.107 4.847 4.740 0.000 0.000 0.186 291 N C -0.492 174.960 175.510 -0.097 0.000 1.107 291 N CA 0.113 53.089 53.050 -0.123 0.000 0.884 291 N CB 0.486 38.914 38.487 -0.097 0.000 1.030 291 N HN 0.166 nan 8.380 nan 0.000 0.482 292 N N -0.147 118.487 118.700 -0.109 0.000 2.735 292 N HA -0.165 4.575 4.740 0.000 0.000 0.248 292 N C -0.138 175.327 175.510 -0.075 0.000 1.083 292 N CA 0.628 53.620 53.050 -0.096 0.000 0.703 292 N CB -0.644 37.800 38.487 -0.071 0.000 1.005 292 N HN 0.254 nan 8.380 nan 0.000 0.550 293 S N -2.434 113.220 115.700 -0.076 0.000 2.524 293 S HA 0.202 4.672 4.470 0.000 0.000 0.215 293 S C 0.227 174.797 174.600 -0.050 0.000 0.986 293 S CA -0.262 57.908 58.200 -0.051 0.000 0.911 293 S CB 1.037 64.214 63.200 -0.038 0.000 0.805 293 S HN 0.392 nan 8.310 nan 0.000 0.501 294 D N 0.971 121.323 120.400 -0.081 0.000 2.643 294 D HA 0.457 5.098 4.640 0.000 0.000 0.283 294 D C -1.512 174.696 176.300 -0.153 0.000 1.242 294 D CA -0.484 53.469 54.000 -0.078 0.000 0.863 294 D CB 1.748 42.517 40.800 -0.052 0.000 1.382 294 D HN 0.253 nan 8.370 nan 0.000 0.444 295 N N -1.300 117.323 118.700 -0.127 0.000 3.091 295 N HA 0.317 5.057 4.740 0.000 0.000 0.329 295 N C 0.503 175.869 175.510 -0.239 0.000 1.430 295 N CA -0.678 52.224 53.050 -0.247 0.000 0.755 295 N CB -0.053 38.386 38.487 -0.081 0.000 1.626 295 N HN 0.536 nan 8.380 nan 0.000 0.614 296 W N -1.421 119.759 121.300 -0.200 0.000 2.350 296 W HA -0.106 4.554 4.660 0.000 0.000 0.289 296 W C 1.260 177.595 176.519 -0.308 0.000 1.215 296 W CA 0.457 57.582 57.345 -0.367 0.000 1.236 296 W CB -0.477 28.700 29.460 -0.471 0.000 1.130 296 W HN 0.465 nan 8.180 nan 0.000 0.541 297 Y N 0.266 120.634 120.300 0.113 0.000 2.114 297 Y HA -0.221 4.329 4.550 0.000 0.000 0.282 297 Y C 2.592 178.512 175.900 0.033 0.000 1.165 297 Y CA 1.547 59.684 58.100 0.060 0.000 1.148 297 Y CB -1.474 37.012 38.460 0.043 0.000 0.972 297 Y HN -0.033 nan 8.280 nan 0.000 0.504 298 G N -0.828 108.076 108.800 0.174 0.000 2.459 298 G HA2 -0.325 3.635 3.960 0.000 0.000 0.217 298 G HA3 -0.325 3.635 3.960 0.000 0.000 0.217 298 G C 1.697 176.631 174.900 0.057 0.000 1.183 298 G CA 0.919 46.072 45.100 0.087 0.000 0.776 298 G HN 0.405 nan 8.290 nan 0.000 0.552 299 F N 1.860 121.755 119.950 -0.092 0.000 2.091 299 F HA -0.197 4.330 4.527 0.000 0.000 0.299 299 F C 2.457 178.185 175.800 -0.119 0.000 1.103 299 F CA 2.130 60.054 58.000 -0.127 0.000 1.228 299 F CB -0.218 38.726 39.000 -0.093 0.000 0.984 299 F HN 0.196 nan 8.300 nan 0.000 0.477 300 N N 0.335 119.015 118.700 -0.034 0.000 2.058 300 N HA -0.257 4.483 4.740 0.000 0.000 0.191 300 N C 2.023 177.530 175.510 -0.004 0.000 1.037 300 N CA 1.826 54.863 53.050 -0.020 0.000 0.848 300 N CB -0.361 38.153 38.487 0.045 0.000 1.021 300 N HN 0.629 nan 8.380 nan 0.000 0.422 301 Q N 0.341 120.154 119.800 0.021 0.000 2.096 301 Q HA -0.206 4.135 4.340 0.000 0.000 0.204 301 Q C 2.260 178.239 176.000 -0.035 0.000 0.982 301 Q CA 1.167 56.979 55.803 0.015 0.000 0.850 301 Q CB -0.594 28.163 28.738 0.032 0.000 0.901 301 Q HN 0.355 nan 8.270 nan 0.000 0.422 302 M N 1.281 120.823 119.600 -0.096 0.000 2.110 302 M HA -0.201 4.280 4.480 0.000 0.000 0.257 302 M C 2.117 178.330 176.300 -0.146 0.000 1.071 302 M CA 1.686 56.897 55.300 -0.148 0.000 1.096 302 M CB -0.484 31.963 32.600 -0.254 0.000 1.300 302 M HN 0.331 nan 8.290 nan 0.000 0.411 303 I N 0.462 120.893 120.570 -0.232 0.000 2.127 303 I HA -0.336 3.834 4.170 0.000 0.000 0.241 303 I C 2.427 178.535 176.117 -0.015 0.000 1.075 303 I CA 1.672 62.900 61.300 -0.120 0.000 1.334 303 I CB -1.568 36.366 38.000 -0.110 0.000 1.040 303 I HN 0.483 nan 8.210 nan 0.000 0.405 304 Q N 0.470 120.271 119.800 0.001 0.000 2.020 304 Q HA -0.223 4.117 4.340 0.000 0.000 0.202 304 Q C 1.912 177.915 176.000 0.005 0.000 0.982 304 Q CA 1.748 57.564 55.803 0.022 0.000 0.838 304 Q CB -0.167 28.592 28.738 0.034 0.000 0.899 304 Q HN 0.490 nan 8.270 nan 0.000 0.423 305 D N -0.164 120.231 120.400 -0.007 0.000 2.144 305 D HA -0.109 4.531 4.640 0.000 0.000 0.199 305 D C 1.865 178.135 176.300 -0.049 0.000 0.984 305 D CA 1.184 55.169 54.000 -0.025 0.000 0.834 305 D CB -0.359 40.433 40.800 -0.013 0.000 0.955 305 D HN 0.143 nan 8.370 nan 0.000 0.465 306 T N 0.366 114.920 114.554 0.000 0.000 2.708 306 T HA -0.130 4.220 4.350 0.000 0.000 0.266 306 T C 1.914 176.671 174.700 0.094 0.000 1.037 306 T CA 1.567 63.714 62.100 0.078 0.000 1.146 306 T CB -0.222 68.722 68.868 0.128 0.000 0.865 306 T HN 0.205 nan 8.240 nan 0.000 0.435 307 A N 1.046 123.900 122.820 0.056 0.000 2.067 307 A HA -0.046 4.275 4.320 0.000 0.000 0.219 307 A C 2.446 180.032 177.584 0.003 0.000 1.158 307 A CA 1.978 54.045 52.037 0.050 0.000 0.661 307 A CB -0.505 18.522 19.000 0.045 0.000 0.801 307 A HN 0.605 nan 8.150 nan 0.000 0.452 308 S N -1.213 114.460 115.700 -0.044 0.000 2.492 308 S HA 0.389 4.859 4.470 0.000 0.000 0.218 308 S C 1.930 176.423 174.600 -0.179 0.000 1.016 308 S CA 0.828 58.978 58.200 -0.083 0.000 0.916 308 S CB -0.158 63.003 63.200 -0.064 0.000 0.791 308 S HN 0.684 nan 8.310 nan 0.000 0.513 309 A N 0.488 123.119 122.820 -0.314 0.000 1.897 309 A HA 0.275 4.595 4.320 0.000 0.000 0.215 309 A C 0.308 177.478 177.584 -0.689 0.000 1.181 309 A CA 0.543 52.149 52.037 -0.719 0.000 0.620 309 A CB -0.545 17.647 19.000 -1.346 0.000 0.821 309 A HN 0.601 nan 8.150 nan 0.000 0.443 310 Y N 0.340 120.528 120.300 -0.187 0.000 2.330 310 Y HA 0.319 4.870 4.550 0.000 0.000 0.336 310 Y C 0.627 176.485 175.900 -0.069 0.000 1.036 310 Y CA -1.131 56.910 58.100 -0.098 0.000 1.125 310 Y CB 1.056 39.486 38.460 -0.050 0.000 1.194 310 Y HN 0.169 nan 8.280 nan 0.000 0.469 311 D N 1.704 122.155 120.400 0.084 0.000 2.144 311 D HA -0.105 4.535 4.640 0.000 0.000 0.200 311 D C -0.045 176.266 176.300 0.018 0.000 0.978 311 D CA 1.446 55.455 54.000 0.016 0.000 0.833 311 D CB 0.163 40.962 40.800 -0.003 0.000 0.961 311 D HN 0.585 nan 8.370 nan 0.000 0.470 312 E N -0.066 120.187 120.200 0.088 0.000 3.568 312 E HA 0.140 4.491 4.350 0.000 0.000 0.213 312 E C 0.698 177.357 176.600 0.099 0.000 1.197 312 E CA -0.187 56.269 56.400 0.094 0.000 1.126 312 E CB 1.333 31.115 29.700 0.138 0.000 1.285 312 E HN -0.195 nan 8.360 nan 0.000 0.418 313 V N 1.195 121.164 119.914 0.092 0.000 2.469 313 V HA -0.250 3.871 4.120 0.000 0.000 0.251 313 V C 1.534 177.626 176.094 -0.002 0.000 1.064 313 V CA 1.519 63.841 62.300 0.038 0.000 1.066 313 V CB -0.095 31.775 31.823 0.079 0.000 0.667 313 V HN 0.545 nan 8.190 nan 0.000 0.461 314 L N 0.193 121.456 121.223 0.067 0.000 2.189 314 L HA -0.163 4.177 4.340 0.000 0.000 0.214 314 L C 1.984 178.898 176.870 0.073 0.000 1.097 314 L CA 2.027 56.920 54.840 0.088 0.000 0.764 314 L CB -0.991 41.192 42.059 0.206 0.000 0.900 314 L HN 0.410 nan 8.230 nan 0.000 0.436 315 D N -1.487 118.977 120.400 0.107 0.000 2.349 315 D HA -0.012 4.629 4.640 0.000 0.000 0.215 315 D C 0.768 177.108 176.300 0.066 0.000 1.016 315 D CA 0.178 54.272 54.000 0.156 0.000 0.870 315 D CB 0.138 41.092 40.800 0.257 0.000 0.917 315 D HN 0.310 nan 8.370 nan 0.000 0.524 316 Q N 0.455 120.207 119.800 -0.080 0.000 2.392 316 Q HA 0.170 4.510 4.340 0.000 0.000 0.262 316 Q C 0.010 175.896 176.000 -0.191 0.000 1.003 316 Q CA -0.093 55.599 55.803 -0.186 0.000 0.888 316 Q CB 1.399 29.924 28.738 -0.355 0.000 1.260 316 Q HN -0.103 nan 8.270 nan 0.000 0.435 317 V N 2.583 122.360 119.914 -0.227 0.000 2.350 317 V HA 0.266 4.386 4.120 0.000 0.000 0.276 317 V C 0.549 176.585 176.094 -0.096 0.000 1.028 317 V CA -0.580 61.559 62.300 -0.268 0.000 0.860 317 V CB 0.999 32.406 31.823 -0.694 0.000 0.990 317 V HN 0.913 nan 8.190 nan 0.000 0.453 318 T N 2.604 117.067 114.554 -0.152 0.000 2.902 318 T HA 0.882 5.232 4.350 0.000 0.000 0.280 318 T C -0.657 174.096 174.700 0.088 0.000 0.992 318 T CA -0.480 61.475 62.100 -0.243 0.000 1.015 318 T CB 1.640 70.100 68.868 -0.679 0.000 1.044 318 T HN 0.832 nan 8.240 nan 0.000 0.520 319 F N -0.777 119.179 119.950 0.010 0.000 2.799 319 F HA 0.463 4.991 4.527 0.000 0.000 0.316 319 F C -0.014 175.880 175.800 0.156 0.000 1.155 319 F CA -1.316 56.727 58.000 0.072 0.000 0.916 319 F CB 0.602 39.620 39.000 0.029 0.000 1.294 319 F HN 0.604 nan 8.300 nan 0.000 0.447 320 I N -1.060 119.684 120.570 0.290 0.000 4.070 320 I HA 0.431 4.601 4.170 0.000 0.000 0.328 320 I C -0.775 175.602 176.117 0.434 0.000 1.298 320 I CA 0.258 61.706 61.300 0.247 0.000 1.173 320 I CB 0.349 38.357 38.000 0.013 0.000 1.051 320 I HN 0.703 nan 8.210 nan 0.000 0.409 321 D N 0.651 121.365 120.400 0.522 0.000 2.808 321 D HA 0.322 4.962 4.640 0.000 0.000 0.294 321 D C -1.363 174.919 176.300 -0.030 0.000 1.278 321 D CA -0.635 53.553 54.000 0.314 0.000 0.756 321 D CB 0.512 41.461 40.800 0.248 0.000 1.271 321 D HN 0.370 nan 8.370 nan 0.000 0.425 322 N N -2.670 115.774 118.700 -0.428 0.000 3.378 322 N HA 0.205 4.945 4.740 0.000 0.000 0.294 322 N C 0.864 175.622 175.510 -1.253 0.000 1.544 322 N CA -0.528 51.980 53.050 -0.903 0.000 0.872 322 N CB 0.025 38.118 38.487 -0.655 0.000 1.670 322 N HN 0.561 nan 8.380 nan 0.000 0.551 323 H N -1.449 117.051 119.070 -0.950 0.000 2.457 323 H HA -0.015 4.541 4.556 0.000 0.000 0.297 323 H C -0.368 174.887 175.328 -0.123 0.000 1.092 323 H CA 1.512 57.329 56.048 -0.384 0.000 1.309 323 H CB -0.217 29.519 29.762 -0.043 0.000 1.382 323 H HN 0.514 nan 8.280 nan 0.000 0.535 324 D N 0.165 120.099 120.400 -0.777 0.000 2.350 324 D HA 0.180 4.821 4.640 0.000 0.000 0.213 324 D C 0.733 176.987 176.300 -0.076 0.000 1.031 324 D CA 0.239 54.049 54.000 -0.316 0.000 0.861 324 D CB 0.467 41.114 40.800 -0.256 0.000 0.926 324 D HN 0.386 nan 8.370 nan 0.000 0.520 325 M N -0.260 119.285 119.600 -0.090 0.000 2.852 325 M HA 0.235 4.716 4.480 0.000 0.000 0.301 325 M C -0.543 175.782 176.300 0.041 0.000 1.229 325 M CA -0.935 54.397 55.300 0.052 0.000 0.832 325 M CB 1.589 34.271 32.600 0.137 0.000 1.726 325 M HN -0.376 nan 8.290 nan 0.000 0.497 326 D N 2.049 122.494 120.400 0.075 0.000 2.351 326 D HA 0.142 4.782 4.640 0.000 0.000 0.251 326 D C -0.303 176.053 176.300 0.094 0.000 1.137 326 D CA -0.028 54.013 54.000 0.068 0.000 0.879 326 D CB 0.607 41.436 40.800 0.047 0.000 1.181 326 D HN 0.266 nan 8.370 nan 0.000 0.448 327 R N 2.141 122.709 120.500 0.113 0.000 2.697 327 R HA -0.062 4.278 4.340 0.000 0.000 0.265 327 R C 1.217 177.619 176.300 0.171 0.000 1.009 327 R CA -0.199 56.003 56.100 0.170 0.000 1.099 327 R CB -0.033 30.365 30.300 0.164 0.000 0.965 327 R HN 0.490 nan 8.270 nan 0.000 0.428 328 F N 1.568 121.579 119.950 0.101 0.000 2.065 328 F HA -0.202 4.325 4.527 0.000 0.000 0.298 328 F C 1.273 177.122 175.800 0.082 0.000 1.112 328 F CA 1.492 59.547 58.000 0.092 0.000 1.212 328 F CB -0.068 38.995 39.000 0.105 0.000 0.975 328 F HN 0.451 nan 8.300 nan 0.000 0.476 329 M N 1.863 121.641 119.600 0.298 0.000 2.217 329 M HA 0.213 4.693 4.480 0.000 0.000 0.352 329 M C -0.277 176.074 176.300 0.085 0.000 1.376 329 M CA -0.066 55.352 55.300 0.198 0.000 1.107 329 M CB 0.008 32.757 32.600 0.248 0.000 1.723 329 M HN 0.226 nan 8.290 nan 0.000 0.461 330 I N 1.472 122.063 120.570 0.035 0.000 2.707 330 I HA 0.502 4.672 4.170 0.000 0.000 0.309 330 I C -0.575 175.555 176.117 0.021 0.000 1.001 330 I CA -0.892 60.415 61.300 0.012 0.000 1.129 330 I CB 1.444 39.430 38.000 -0.024 0.000 1.308 330 I HN 0.503 nan 8.210 nan 0.000 0.466 331 D N 3.388 123.797 120.400 0.016 0.000 2.424 331 D HA 0.209 4.850 4.640 0.000 0.000 0.244 331 D C 1.085 177.387 176.300 0.004 0.000 1.134 331 D CA 1.575 55.583 54.000 0.014 0.000 0.881 331 D CB 1.299 42.106 40.800 0.010 0.000 1.191 331 D HN 1.065 nan 8.370 nan 0.000 0.445 332 G N 2.243 111.044 108.800 0.003 0.000 2.267 332 G HA2 -0.257 3.704 3.960 0.000 0.000 0.257 332 G HA3 -0.257 3.704 3.960 0.000 0.000 0.257 332 G C 0.823 175.719 174.900 -0.006 0.000 0.998 332 G CA 0.179 45.277 45.100 -0.004 0.000 0.620 332 G HN 0.818 nan 8.290 nan 0.000 0.529 333 G N 0.011 108.811 108.800 -0.001 0.000 2.720 333 G HA2 0.335 4.295 3.960 0.000 0.000 0.237 333 G HA3 0.335 4.295 3.960 0.000 0.000 0.237 333 G C -0.191 174.708 174.900 -0.001 0.000 1.239 333 G CA 0.676 45.777 45.100 0.001 0.000 0.847 333 G HN 0.418 nan 8.290 nan 0.000 0.593 334 D N 0.895 121.300 120.400 0.008 0.000 2.365 334 D HA 0.258 4.898 4.640 0.000 0.000 0.237 334 D C -0.970 175.342 176.300 0.019 0.000 1.190 334 D CA -2.229 51.773 54.000 0.004 0.000 0.867 334 D CB 1.493 42.306 40.800 0.020 0.000 1.050 334 D HN -0.000 nan 8.370 nan 0.000 0.491 335 P HA -0.127 nan 4.420 nan 0.000 0.220 335 P C 1.283 178.578 177.300 -0.009 0.000 1.148 335 P CA 0.586 63.599 63.100 -0.146 0.000 0.803 335 P CB 0.156 31.507 31.700 -0.581 0.000 0.782 336 R N 0.550 121.056 120.500 0.011 0.000 2.189 336 R HA -0.085 4.255 4.340 0.000 0.000 0.223 336 R C 1.807 178.177 176.300 0.118 0.000 1.092 336 R CA 1.005 57.143 56.100 0.064 0.000 0.989 336 R CB -0.266 30.063 30.300 0.048 0.000 0.876 336 R HN -0.050 nan 8.270 nan 0.000 0.457 337 K N 0.433 120.927 120.400 0.156 0.000 2.097 337 K HA -0.072 4.248 4.320 0.000 0.000 0.206 337 K C 2.042 178.785 176.600 0.238 0.000 1.049 337 K CA 1.172 57.603 56.287 0.240 0.000 0.933 337 K CB -0.235 32.462 32.500 0.329 0.000 0.717 337 K HN 0.110 nan 8.250 nan 0.000 0.442 338 V N 2.376 122.437 119.914 0.244 0.000 2.237 338 V HA -0.254 3.866 4.120 0.000 0.000 0.245 338 V C 1.859 177.968 176.094 0.024 0.000 1.046 338 V CA 2.008 64.361 62.300 0.087 0.000 1.007 338 V CB -0.525 31.490 31.823 0.320 0.000 0.638 338 V HN 0.251 nan 8.190 nan 0.000 0.445 339 D N -0.021 120.466 120.400 0.144 0.000 2.133 339 D HA -0.259 4.381 4.640 0.000 0.000 0.192 339 D C 2.148 178.477 176.300 0.048 0.000 1.001 339 D CA 1.916 55.980 54.000 0.106 0.000 0.844 339 D CB -0.319 40.558 40.800 0.128 0.000 0.944 339 D HN 0.402 nan 8.370 nan 0.000 0.447 340 M N 0.664 120.299 119.600 0.059 0.000 2.086 340 M HA -0.124 4.357 4.480 0.000 0.000 0.261 340 M C 2.466 178.781 176.300 0.025 0.000 1.067 340 M CA 1.571 56.909 55.300 0.063 0.000 1.116 340 M CB -0.240 32.427 32.600 0.112 0.000 1.348 340 M HN -0.011 nan 8.290 nan 0.000 0.407 341 A N 0.307 123.079 122.820 -0.080 0.000 1.908 341 A HA -0.151 4.169 4.320 0.000 0.000 0.218 341 A C 2.042 179.572 177.584 -0.091 0.000 1.181 341 A CA 1.377 53.306 52.037 -0.179 0.000 0.627 341 A CB -0.747 17.865 19.000 -0.647 0.000 0.818 341 A HN 0.338 nan 8.150 nan 0.000 0.445 342 L N -0.332 120.833 121.223 -0.096 0.000 1.989 342 L HA -0.173 4.167 4.340 0.000 0.000 0.211 342 L C 3.001 179.882 176.870 0.019 0.000 1.071 342 L CA 2.103 56.925 54.840 -0.030 0.000 0.749 342 L CB -1.380 40.662 42.059 -0.028 0.000 0.890 342 L HN 0.420 nan 8.230 nan 0.000 0.431 343 A N -1.456 121.378 122.820 0.023 0.000 1.940 343 A HA -0.154 4.166 4.320 0.000 0.000 0.219 343 A C 2.401 180.041 177.584 0.093 0.000 1.176 343 A CA 1.892 53.948 52.037 0.031 0.000 0.631 343 A CB -0.822 18.182 19.000 0.007 0.000 0.814 343 A HN 0.258 nan 8.150 nan 0.000 0.446 344 V N -0.326 119.667 119.914 0.130 0.000 2.270 344 V HA -0.216 3.905 4.120 0.000 0.000 0.245 344 V C 2.502 178.775 176.094 0.300 0.000 1.043 344 V CA 1.908 64.351 62.300 0.240 0.000 1.014 344 V CB -0.773 31.154 31.823 0.175 0.000 0.645 344 V HN 0.659 nan 8.190 nan 0.000 0.447 345 L N -0.422 120.944 121.223 0.239 0.000 1.989 345 L HA -0.166 4.174 4.340 0.000 0.000 0.211 345 L C 2.197 179.147 176.870 0.134 0.000 1.071 345 L CA 1.954 56.947 54.840 0.255 0.000 0.749 345 L CB -0.518 41.657 42.059 0.192 0.000 0.890 345 L HN 0.166 nan 8.230 nan 0.000 0.431 346 L N 0.048 121.322 121.223 0.085 0.000 2.349 346 L HA -0.133 4.207 4.340 0.000 0.000 0.220 346 L C 2.347 179.242 176.870 0.042 0.000 1.130 346 L CA 2.099 56.959 54.840 0.035 0.000 0.791 346 L CB -1.561 40.503 42.059 0.008 0.000 0.918 346 L HN 0.708 nan 8.230 nan 0.000 0.444 347 T N -6.583 108.040 114.554 0.116 0.000 3.054 347 T HA 0.208 4.558 4.350 0.000 0.000 0.255 347 T C 0.957 175.806 174.700 0.248 0.000 1.035 347 T CA -0.170 62.010 62.100 0.133 0.000 0.941 347 T CB 0.101 69.015 68.868 0.076 0.000 1.026 347 T HN 0.044 nan 8.240 nan 0.000 0.533 348 S N 2.657 118.499 115.700 0.238 0.000 2.632 348 S HA 0.520 4.990 4.470 0.000 0.000 0.267 348 S C 0.544 175.164 174.600 0.033 0.000 1.276 348 S CA -1.010 57.319 58.200 0.215 0.000 0.998 348 S CB 0.726 64.123 63.200 0.330 0.000 0.953 348 S HN 0.624 nan 8.310 nan 0.000 0.547 349 R N 0.794 121.305 120.500 0.019 0.000 2.679 349 R HA 0.546 4.886 4.340 0.000 0.000 0.269 349 R C 0.395 176.586 176.300 -0.181 0.000 1.076 349 R CA 0.422 56.498 56.100 -0.041 0.000 1.160 349 R CB -1.171 29.139 30.300 0.016 0.000 1.054 349 R HN 0.974 nan 8.270 nan 0.000 0.507 350 G N -0.001 108.710 108.800 -0.148 0.000 2.663 350 G HA2 -0.166 3.794 3.960 0.000 0.000 0.686 350 G HA3 -0.166 3.794 3.960 0.000 0.000 0.686 350 G C -1.146 173.645 174.900 -0.180 0.000 1.288 350 G CA -0.405 44.581 45.100 -0.191 0.000 0.836 350 G HN 0.586 nan 8.290 nan 0.000 0.584 351 V N 2.920 122.737 119.914 -0.162 0.000 2.405 351 V HA 0.432 4.552 4.120 0.000 0.000 0.264 351 V C -1.397 174.632 176.094 -0.109 0.000 1.048 351 V CA -0.629 61.595 62.300 -0.126 0.000 0.966 351 V CB 1.143 32.894 31.823 -0.120 0.000 1.015 351 V HN 0.682 nan 8.190 nan 0.000 0.477 352 P HA 0.244 nan 4.420 nan 0.000 0.287 352 P C -0.819 176.524 177.300 0.073 0.000 1.281 352 P CA -0.333 62.755 63.100 -0.021 0.000 0.781 352 P CB 0.864 32.550 31.700 -0.025 0.000 0.903 353 N N 3.314 122.095 118.700 0.135 0.000 2.342 353 N HA 0.480 5.220 4.740 0.000 0.000 0.293 353 N C -1.142 174.496 175.510 0.212 0.000 1.026 353 N CA -0.699 52.487 53.050 0.228 0.000 0.857 353 N CB 0.627 39.323 38.487 0.348 0.000 1.256 353 N HN 0.220 nan 8.380 nan 0.000 0.484 354 I N 3.142 123.810 120.570 0.164 0.000 2.406 354 I HA 0.224 4.394 4.170 0.000 0.000 0.290 354 I C -0.859 175.245 176.117 -0.022 0.000 0.999 354 I CA -1.055 60.303 61.300 0.098 0.000 1.124 354 I CB 1.058 39.115 38.000 0.094 0.000 1.289 354 I HN 0.525 nan 8.210 nan 0.000 0.441 355 Y N 8.364 128.589 120.300 -0.126 0.000 2.436 355 Y HA 0.120 4.670 4.550 0.000 0.000 0.336 355 Y C 0.122 175.830 175.900 -0.320 0.000 1.049 355 Y CA -1.128 56.855 58.100 -0.195 0.000 1.294 355 Y CB 0.035 38.434 38.460 -0.103 0.000 1.179 355 Y HN 0.477 nan 8.280 nan 0.000 0.520 356 Y N 4.464 124.301 120.300 -0.771 0.000 2.996 356 Y HA 0.194 4.745 4.550 0.000 0.000 0.347 356 Y C 1.076 176.777 175.900 -0.331 0.000 1.276 356 Y CA 0.135 57.869 58.100 -0.610 0.000 1.601 356 Y CB -0.215 38.039 38.460 -0.343 0.000 1.193 356 Y HN 0.964 nan 8.280 nan 0.000 0.582 357 G N 2.390 111.125 108.800 -0.109 0.000 2.176 357 G HA2 -0.358 3.602 3.960 0.000 0.000 0.253 357 G HA3 -0.358 3.602 3.960 0.000 0.000 0.253 357 G C 0.791 175.590 174.900 -0.168 0.000 0.979 357 G CA 0.427 45.423 45.100 -0.173 0.000 0.641 357 G HN 0.881 nan 8.290 nan 0.000 0.530 358 T N 1.546 116.019 114.554 -0.135 0.000 2.720 358 T HA -0.108 4.242 4.350 0.000 0.000 0.268 358 T C 2.107 176.692 174.700 -0.191 0.000 1.037 358 T CA 1.890 63.937 62.100 -0.087 0.000 1.144 358 T CB -0.216 68.639 68.868 -0.020 0.000 0.864 358 T HN 0.764 nan 8.240 nan 0.000 0.444 359 E N 0.992 121.113 120.200 -0.132 0.000 2.516 359 E HA -0.092 4.258 4.350 0.000 0.000 0.199 359 E C 1.275 177.677 176.600 -0.330 0.000 1.069 359 E CA 0.701 56.990 56.400 -0.186 0.000 0.876 359 E CB -0.110 29.627 29.700 0.061 0.000 0.843 359 E HN 0.386 nan 8.360 nan 0.000 0.530 360 Q N -0.398 119.222 119.800 -0.301 0.000 2.189 360 Q HA 0.091 4.431 4.340 0.000 0.000 0.223 360 Q C -0.511 175.394 176.000 -0.158 0.000 0.828 360 Q CA -0.322 55.355 55.803 -0.210 0.000 0.967 360 Q CB 0.015 28.699 28.738 -0.091 0.000 1.139 360 Q HN 0.318 nan 8.270 nan 0.000 0.497 361 Y N -1.414 118.913 120.300 0.045 0.000 3.689 361 Y HA -0.265 4.285 4.550 0.000 0.000 0.221 361 Y C 0.399 176.312 175.900 0.023 0.000 1.247 361 Y CA 0.180 58.309 58.100 0.048 0.000 1.671 361 Y CB -2.757 35.734 38.460 0.052 0.000 1.521 361 Y HN 0.165 nan 8.280 nan 0.000 0.632 362 M N 0.604 120.231 119.600 0.046 0.000 2.245 362 M HA 0.278 4.758 4.480 0.000 0.000 0.330 362 M C 0.957 177.283 176.300 0.043 0.000 1.098 362 M CA 1.226 56.529 55.300 0.004 0.000 1.172 362 M CB 0.712 33.244 32.600 -0.113 0.000 1.467 362 M HN 0.440 nan 8.290 nan 0.000 0.454 363 T N -0.834 113.743 114.554 0.039 0.000 2.916 363 T HA 0.913 5.263 4.350 0.000 0.000 0.292 363 T C -0.311 174.415 174.700 0.043 0.000 1.064 363 T CA -0.547 61.585 62.100 0.053 0.000 1.011 363 T CB 2.149 71.047 68.868 0.051 0.000 1.152 363 T HN 1.007 nan 8.240 nan 0.000 0.510 364 G N 0.910 109.741 108.800 0.051 0.000 2.026 364 G HA2 0.227 4.187 3.960 0.000 0.000 0.208 364 G HA3 0.227 4.187 3.960 0.000 0.000 0.208 364 G C -1.596 173.338 174.900 0.057 0.000 1.640 364 G CA -1.146 43.985 45.100 0.050 0.000 0.946 364 G HN 0.922 nan 8.290 nan 0.000 0.709 365 N N 0.778 119.502 118.700 0.040 0.000 2.421 365 N HA 0.696 5.436 4.740 0.000 0.000 0.285 365 N C 0.612 176.141 175.510 0.033 0.000 1.027 365 N CA 0.559 53.630 53.050 0.035 0.000 0.918 365 N CB 1.741 40.240 38.487 0.020 0.000 1.152 365 N HN 1.617 nan 8.380 nan 0.000 0.485 366 G N 1.444 110.265 108.800 0.035 0.000 2.814 366 G HA2 -0.226 3.734 3.960 0.000 0.000 0.677 366 G HA3 -0.226 3.734 3.960 0.000 0.000 0.677 366 G C -1.030 173.895 174.900 0.042 0.000 1.429 366 G CA -0.821 44.294 45.100 0.025 0.000 0.868 366 G HN 0.610 nan 8.290 nan 0.000 0.553 367 D N 0.701 121.121 120.400 0.034 0.000 2.312 367 D HA 0.501 5.141 4.640 0.000 0.000 0.252 367 D C -0.507 175.827 176.300 0.057 0.000 1.150 367 D CA -1.326 52.712 54.000 0.064 0.000 0.870 367 D CB 1.264 42.092 40.800 0.048 0.000 1.153 367 D HN 0.242 nan 8.370 nan 0.000 0.457 368 P HA 0.206 nan 4.420 nan 0.000 0.276 368 P C 0.136 177.486 177.300 0.085 0.000 1.585 368 P CA -0.251 62.915 63.100 0.110 0.000 1.162 368 P CB 0.483 32.240 31.700 0.096 0.000 1.556 369 N N 1.962 120.699 118.700 0.062 0.000 2.364 369 N HA -0.123 4.617 4.740 0.000 0.000 0.183 369 N C 1.225 176.786 175.510 0.085 0.000 1.022 369 N CA 1.083 54.165 53.050 0.054 0.000 0.883 369 N CB -0.489 38.020 38.487 0.037 0.000 0.965 369 N HN 0.420 nan 8.380 nan 0.000 0.438 370 N N 0.395 119.170 118.700 0.125 0.000 2.383 370 N HA -0.034 4.707 4.740 0.000 0.000 0.192 370 N C -0.042 175.644 175.510 0.293 0.000 1.141 370 N CA 0.207 53.367 53.050 0.184 0.000 0.851 370 N CB 0.094 38.677 38.487 0.160 0.000 0.976 370 N HN 0.001 nan 8.380 nan 0.000 0.465 371 R N -0.279 120.376 120.500 0.258 0.000 2.734 371 R HA 0.277 4.617 4.340 0.000 0.000 0.395 371 R C -0.543 175.893 176.300 0.228 0.000 1.096 371 R CA -0.441 55.867 56.100 0.346 0.000 1.071 371 R CB 0.625 31.166 30.300 0.402 0.000 1.348 371 R HN 0.080 nan 8.270 nan 0.000 0.600 372 K N 0.469 120.967 120.400 0.163 0.000 2.187 372 K HA 0.134 4.454 4.320 0.000 0.000 0.247 372 K C 0.211 176.905 176.600 0.158 0.000 1.019 372 K CA -0.334 56.008 56.287 0.093 0.000 0.893 372 K CB 0.390 32.917 32.500 0.046 0.000 1.025 372 K HN -0.029 nan 8.250 nan 0.000 0.500 373 M N 2.145 121.791 119.600 0.077 0.000 2.219 373 M HA 0.083 4.564 4.480 0.000 0.000 0.353 373 M C -0.376 175.968 176.300 0.074 0.000 1.304 373 M CA -0.152 55.187 55.300 0.065 0.000 1.115 373 M CB 0.571 33.177 32.600 0.010 0.000 1.664 373 M HN 0.514 nan 8.290 nan 0.000 0.459 374 M N 4.786 124.433 119.600 0.078 0.000 2.504 374 M HA -0.030 4.451 4.480 0.000 0.000 0.378 374 M C 1.052 177.248 176.300 -0.172 0.000 1.706 374 M CA 0.935 56.202 55.300 -0.054 0.000 1.036 374 M CB 0.013 32.453 32.600 -0.266 0.000 2.129 374 M HN 0.916 nan 8.290 nan 0.000 0.474 375 S N 2.899 118.499 115.700 -0.166 0.000 2.343 375 S HA -0.004 4.467 4.470 0.000 0.000 0.219 375 S C 0.647 175.122 174.600 -0.208 0.000 1.033 375 S CA 0.919 59.036 58.200 -0.139 0.000 1.014 375 S CB -0.370 62.776 63.200 -0.091 0.000 0.915 375 S HN 0.899 nan 8.310 nan 0.000 0.435 376 S N -1.076 114.402 115.700 -0.370 0.000 2.651 376 S HA 0.717 5.187 4.470 0.000 0.000 0.279 376 S C -0.996 173.146 174.600 -0.763 0.000 1.148 376 S CA -0.872 57.116 58.200 -0.353 0.000 0.837 376 S CB 0.987 64.114 63.200 -0.122 0.000 1.138 376 S HN 0.252 nan 8.310 nan 0.000 0.478 377 F N 0.954 120.756 119.950 -0.246 0.000 2.850 377 F HA 0.410 4.938 4.527 0.000 0.000 0.329 377 F C 0.684 176.416 175.800 -0.113 0.000 1.182 377 F CA -0.831 56.879 58.000 -0.483 0.000 1.270 377 F CB 0.202 38.838 39.000 -0.606 0.000 0.979 377 F HN 0.556 nan 8.300 nan 0.000 0.506 378 N N 2.114 120.848 118.700 0.056 0.000 2.427 378 N HA -0.024 4.716 4.740 0.000 0.000 0.269 378 N C 0.576 176.088 175.510 0.002 0.000 1.235 378 N CA 0.441 53.517 53.050 0.045 0.000 0.934 378 N CB 0.623 39.126 38.487 0.028 0.000 1.121 378 N HN 0.328 nan 8.380 nan 0.000 0.480 379 K N 2.544 122.851 120.400 -0.155 0.000 2.417 379 K HA 0.108 4.428 4.320 0.000 0.000 0.196 379 K C 0.091 176.337 176.600 -0.589 0.000 1.023 379 K CA 0.190 56.027 56.287 -0.749 0.000 1.122 379 K CB 0.268 32.414 32.500 -0.589 0.000 0.850 379 K HN 0.511 nan 8.250 nan 0.000 0.521 380 N N 0.436 118.998 118.700 -0.230 0.000 2.254 380 N HA -0.060 4.680 4.740 0.000 0.000 0.190 380 N C 0.256 175.763 175.510 -0.005 0.000 1.107 380 N CA 0.123 53.112 53.050 -0.102 0.000 0.869 380 N CB 0.589 39.050 38.487 -0.045 0.000 0.983 380 N HN 0.149 nan 8.380 nan 0.000 0.487 381 T N -1.349 113.228 114.554 0.039 0.000 2.855 381 T HA 0.000 4.351 4.350 0.000 0.000 0.322 381 T C 1.374 176.187 174.700 0.187 0.000 1.088 381 T CA -0.198 62.002 62.100 0.167 0.000 1.104 381 T CB 1.246 70.249 68.868 0.226 0.000 0.996 381 T HN 0.121 nan 8.240 nan 0.000 0.549 382 R N 1.738 122.391 120.500 0.255 0.000 2.081 382 R HA -0.038 4.302 4.340 0.000 0.000 0.235 382 R C 2.664 179.083 176.300 0.198 0.000 1.131 382 R CA 1.669 57.893 56.100 0.208 0.000 0.960 382 R CB -1.097 29.316 30.300 0.188 0.000 0.856 382 R HN 0.860 nan 8.270 nan 0.000 0.436 383 A N 0.080 123.041 122.820 0.235 0.000 1.873 383 A HA -0.260 4.060 4.320 0.000 0.000 0.218 383 A C 2.094 179.730 177.584 0.086 0.000 1.193 383 A CA 1.663 53.751 52.037 0.084 0.000 0.629 383 A CB -1.109 17.788 19.000 -0.173 0.000 0.826 383 A HN 0.622 nan 8.150 nan 0.000 0.447 384 Y N 0.630 120.910 120.300 -0.034 0.000 2.145 384 Y HA -0.243 4.307 4.550 0.000 0.000 0.286 384 Y C 2.569 178.452 175.900 -0.028 0.000 1.145 384 Y CA 2.256 60.331 58.100 -0.040 0.000 1.148 384 Y CB -0.598 37.840 38.460 -0.036 0.000 0.981 384 Y HN 0.489 nan 8.280 nan 0.000 0.507 385 Q N -0.690 119.269 119.800 0.265 0.000 2.084 385 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 385 Q C 2.488 178.530 176.000 0.071 0.000 0.978 385 Q CA 2.234 58.135 55.803 0.163 0.000 0.844 385 Q CB -0.594 28.212 28.738 0.115 0.000 0.898 385 Q HN 0.542 nan 8.270 nan 0.000 0.426 386 V N -0.505 119.442 119.914 0.056 0.000 2.392 386 V HA -0.252 3.868 4.120 0.000 0.000 0.249 386 V C 1.871 177.954 176.094 -0.018 0.000 1.059 386 V CA 1.685 63.993 62.300 0.013 0.000 1.051 386 V CB -0.508 31.324 31.823 0.016 0.000 0.658 386 V HN 0.324 nan 8.190 nan 0.000 0.455 387 I N 0.061 120.610 120.570 -0.035 0.000 2.252 387 I HA -0.239 3.931 4.170 0.000 0.000 0.245 387 I C 2.805 178.862 176.117 -0.101 0.000 1.102 387 I CA 2.139 63.389 61.300 -0.084 0.000 1.385 387 I CB -0.533 37.386 38.000 -0.136 0.000 1.064 387 I HN 0.408 nan 8.210 nan 0.000 0.414 388 Q N 1.282 121.025 119.800 -0.096 0.000 2.014 388 Q HA -0.268 4.072 4.340 0.000 0.000 0.207 388 Q C 2.227 178.196 176.000 -0.052 0.000 0.993 388 Q CA 2.023 57.784 55.803 -0.071 0.000 0.850 388 Q CB 0.055 28.800 28.738 0.011 0.000 0.916 388 Q HN 0.395 nan 8.270 nan 0.000 0.417 389 K N -0.071 120.307 120.400 -0.036 0.000 2.026 389 K HA -0.124 4.196 4.320 0.000 0.000 0.208 389 K C 2.185 178.749 176.600 -0.060 0.000 1.048 389 K CA 1.244 57.505 56.287 -0.045 0.000 0.929 389 K CB -0.181 32.292 32.500 -0.044 0.000 0.713 389 K HN 0.283 nan 8.250 nan 0.000 0.439 390 L N 1.366 122.552 121.223 -0.061 0.000 2.141 390 L HA -0.149 4.192 4.340 0.000 0.000 0.209 390 L C 2.757 179.586 176.870 -0.069 0.000 1.094 390 L CA 1.148 55.949 54.840 -0.065 0.000 0.763 390 L CB -0.608 41.418 42.059 -0.054 0.000 0.908 390 L HN 0.285 nan 8.230 nan 0.000 0.437 391 S N -1.445 114.211 115.700 -0.073 0.000 2.382 391 S HA -0.210 4.261 4.470 0.000 0.000 0.228 391 S C 2.197 176.747 174.600 -0.084 0.000 1.027 391 S CA 1.473 59.624 58.200 -0.081 0.000 0.991 391 S CB -0.338 62.807 63.200 -0.091 0.000 0.823 391 S HN 0.357 nan 8.310 nan 0.000 0.469 392 S N 1.016 116.671 115.700 -0.076 0.000 2.355 392 S HA 0.095 4.565 4.470 0.000 0.000 0.222 392 S C 1.857 176.411 174.600 -0.078 0.000 1.031 392 S CA 0.929 59.085 58.200 -0.073 0.000 0.993 392 S CB -0.726 62.438 63.200 -0.061 0.000 0.859 392 S HN 0.576 nan 8.310 nan 0.000 0.453 393 L N 1.121 122.298 121.223 -0.076 0.000 2.013 393 L HA -0.164 4.177 4.340 0.000 0.000 0.212 393 L C 2.854 179.669 176.870 -0.092 0.000 1.073 393 L CA 2.045 56.837 54.840 -0.079 0.000 0.753 393 L CB -0.465 41.547 42.059 -0.080 0.000 0.890 393 L HN 0.400 nan 8.230 nan 0.000 0.432 394 R N -0.264 120.177 120.500 -0.099 0.000 2.096 394 R HA -0.211 4.129 4.340 0.000 0.000 0.235 394 R C 2.315 178.524 176.300 -0.152 0.000 1.127 394 R CA 1.498 57.523 56.100 -0.124 0.000 0.968 394 R CB -0.078 30.152 30.300 -0.116 0.000 0.861 394 R HN 0.192 nan 8.270 nan 0.000 0.440 395 R N -0.565 119.856 120.500 -0.130 0.000 2.153 395 R HA 0.036 4.376 4.340 0.000 0.000 0.218 395 R C 1.481 177.708 176.300 -0.123 0.000 1.072 395 R CA 1.777 57.796 56.100 -0.134 0.000 0.990 395 R CB 0.052 30.286 30.300 -0.110 0.000 0.889 395 R HN 0.383 nan 8.270 nan 0.000 0.452 396 N N -0.525 118.111 118.700 -0.106 0.000 2.319 396 N HA -0.037 4.703 4.740 0.000 0.000 0.189 396 N C 0.052 175.507 175.510 -0.091 0.000 1.042 396 N CA 0.254 53.249 53.050 -0.090 0.000 0.879 396 N CB 0.106 38.547 38.487 -0.076 0.000 1.052 396 N HN -0.046 nan 8.380 nan 0.000 0.446 397 N N 1.414 120.060 118.700 -0.089 0.000 2.406 397 N HA 0.134 4.874 4.740 0.000 0.000 0.251 397 N C -2.052 173.400 175.510 -0.097 0.000 1.069 397 N CA -1.487 51.520 53.050 -0.071 0.000 0.947 397 N CB 1.370 39.827 38.487 -0.051 0.000 1.111 397 N HN 0.024 nan 8.380 nan 0.000 0.497 398 P HA -0.083 nan 4.420 nan 0.000 0.221 398 P C 0.812 178.018 177.300 -0.157 0.000 1.145 398 P CA 0.784 63.790 63.100 -0.157 0.000 0.795 398 P CB 0.300 32.006 31.700 0.010 0.000 0.775 399 A N -0.526 122.303 122.820 0.015 0.000 1.972 399 A HA -0.158 4.162 4.320 0.000 0.000 0.219 399 A C 2.149 179.731 177.584 -0.003 0.000 1.169 399 A CA 1.224 53.315 52.037 0.090 0.000 0.635 399 A CB -1.477 17.601 19.000 0.130 0.000 0.810 399 A HN 0.143 nan 8.150 nan 0.000 0.446 400 L N -1.176 119.999 121.223 -0.079 0.000 2.056 400 L HA -0.177 4.163 4.340 0.000 0.000 0.207 400 L C 3.068 179.832 176.870 -0.177 0.000 1.078 400 L CA 1.288 56.070 54.840 -0.096 0.000 0.749 400 L CB -0.628 41.373 42.059 -0.097 0.000 0.901 400 L HN 0.464 nan 8.230 nan 0.000 0.433 401 A N -1.058 121.543 122.820 -0.365 0.000 1.930 401 A HA -0.139 4.181 4.320 0.000 0.000 0.215 401 A C 1.509 178.836 177.584 -0.429 0.000 1.176 401 A CA 1.223 52.937 52.037 -0.539 0.000 0.632 401 A CB -0.287 18.089 19.000 -1.041 0.000 0.819 401 A HN 0.471 nan 8.150 nan 0.000 0.445 402 Y N -0.988 119.173 120.300 -0.230 0.000 2.471 402 Y HA 0.369 4.920 4.550 0.000 0.000 0.249 402 Y C 1.494 177.404 175.900 0.015 0.000 1.116 402 Y CA -0.912 57.059 58.100 -0.215 0.000 1.240 402 Y CB -0.588 37.418 38.460 -0.757 0.000 1.251 402 Y HN 0.213 nan 8.280 nan 0.000 0.527 403 G N 1.153 110.073 108.800 0.200 0.000 2.572 403 G HA2 0.313 4.273 3.960 0.000 0.000 0.261 403 G HA3 0.313 4.273 3.960 0.000 0.000 0.261 403 G C -0.221 174.804 174.900 0.208 0.000 1.197 403 G CA -0.282 44.986 45.100 0.281 0.000 0.870 403 G HN 0.174 nan 8.290 nan 0.000 0.548 404 D N -1.356 119.162 120.400 0.197 0.000 2.511 404 D HA 0.468 5.108 4.640 0.000 0.000 0.276 404 D C -0.258 176.134 176.300 0.154 0.000 1.220 404 D CA -0.356 53.734 54.000 0.151 0.000 1.077 404 D CB 0.396 41.271 40.800 0.125 0.000 1.126 404 D HN 0.247 nan 8.370 nan 0.000 0.583 405 T N -0.536 114.106 114.554 0.147 0.000 2.812 405 T HA 0.482 4.832 4.350 0.000 0.000 0.282 405 T C -0.466 174.329 174.700 0.158 0.000 0.990 405 T CA -0.743 61.463 62.100 0.177 0.000 0.960 405 T CB 1.500 70.483 68.868 0.191 0.000 0.948 405 T HN 0.370 nan 8.240 nan 0.000 0.438 406 E N 2.046 122.343 120.200 0.162 0.000 2.246 406 E HA 0.155 4.505 4.350 0.000 0.000 0.266 406 E C -0.805 175.881 176.600 0.143 0.000 0.880 406 E CA -0.672 55.812 56.400 0.139 0.000 0.762 406 E CB 1.616 31.380 29.700 0.107 0.000 1.180 406 E HN 0.499 nan 8.360 nan 0.000 0.416 407 Q N 3.908 123.810 119.800 0.170 0.000 2.286 407 Q HA 0.040 4.381 4.340 0.000 0.000 0.267 407 Q C 0.066 176.150 176.000 0.141 0.000 1.028 407 Q CA 0.395 56.307 55.803 0.182 0.000 0.901 407 Q CB 0.596 29.510 28.738 0.294 0.000 1.183 407 Q HN 0.487 nan 8.270 nan 0.000 0.392 408 R N 3.143 123.714 120.500 0.120 0.000 2.335 408 R HA 0.170 4.510 4.340 0.000 0.000 0.210 408 R C -0.494 175.994 176.300 0.313 0.000 0.892 408 R CA 0.327 56.535 56.100 0.180 0.000 1.048 408 R CB 0.642 31.030 30.300 0.146 0.000 1.067 408 R HN 0.694 nan 8.270 nan 0.000 0.524 409 W N -0.475 120.838 121.300 0.021 0.000 3.499 409 W HA 0.500 5.161 4.660 0.000 0.000 0.288 409 W C -1.795 174.744 176.519 0.033 0.000 1.258 409 W CA -0.625 56.734 57.345 0.023 0.000 1.203 409 W CB 1.206 30.657 29.460 -0.015 0.000 1.325 409 W HN -0.176 nan 8.180 nan 0.000 0.564 410 I N 3.851 124.526 120.570 0.175 0.000 2.746 410 I HA 0.343 4.513 4.170 0.000 0.000 0.290 410 I C -1.678 174.353 176.117 -0.143 0.000 1.600 410 I CA -0.269 61.096 61.300 0.109 0.000 1.019 410 I CB 1.660 39.715 38.000 0.091 0.000 1.426 410 I HN 0.598 nan 8.210 nan 0.000 0.460 411 N N 2.334 120.985 118.700 -0.082 0.000 2.629 411 N HA 0.556 5.296 4.740 0.000 0.000 0.279 411 N C 0.595 176.003 175.510 -0.171 0.000 1.344 411 N CA -0.144 52.877 53.050 -0.048 0.000 0.789 411 N CB 1.900 40.372 38.487 -0.025 0.000 1.508 411 N HN 0.691 nan 8.380 nan 0.000 0.516 412 G N -0.811 108.013 108.800 0.040 0.000 2.471 412 G HA2 -0.191 3.769 3.960 0.000 0.000 0.219 412 G HA3 -0.191 3.769 3.960 0.000 0.000 0.219 412 G C 0.517 175.473 174.900 0.094 0.000 1.125 412 G CA 0.890 46.023 45.100 0.055 0.000 0.775 412 G HN 0.510 nan 8.290 nan 0.000 0.548 413 D N -0.769 119.744 120.400 0.188 0.000 2.338 413 D HA 0.117 4.758 4.640 0.000 0.000 0.224 413 D C 0.827 177.387 176.300 0.434 0.000 0.967 413 D CA 0.274 54.426 54.000 0.254 0.000 0.896 413 D CB 0.558 41.473 40.800 0.192 0.000 1.028 413 D HN 0.065 nan 8.370 nan 0.000 0.493 414 V N 1.065 121.091 119.914 0.186 0.000 2.483 414 V HA 0.316 4.436 4.120 0.000 0.000 0.295 414 V C -1.099 174.968 176.094 -0.045 0.000 1.035 414 V CA -0.782 61.529 62.300 0.018 0.000 0.896 414 V CB 1.876 33.580 31.823 -0.198 0.000 0.986 414 V HN 0.030 nan 8.190 nan 0.000 0.447 415 Y N 4.252 124.209 120.300 -0.571 0.000 2.361 415 Y HA 0.662 5.212 4.550 0.000 0.000 0.328 415 Y C -0.926 174.797 175.900 -0.295 0.000 1.044 415 Y CA -1.238 56.477 58.100 -0.643 0.000 1.085 415 Y CB 2.079 39.615 38.460 -1.540 0.000 1.194 415 Y HN 0.422 nan 8.280 nan 0.000 0.438 416 V N 9.249 129.000 119.914 -0.272 0.000 2.380 416 V HA 0.576 4.696 4.120 0.000 0.000 0.286 416 V C -1.959 173.928 176.094 -0.345 0.000 1.015 416 V CA -0.397 61.742 62.300 -0.268 0.000 0.834 416 V CB 0.532 32.289 31.823 -0.110 0.000 1.009 416 V HN 0.642 nan 8.190 nan 0.000 0.428 417 Y N 2.860 122.794 120.300 -0.610 0.000 2.420 417 Y HA 0.849 5.399 4.550 0.000 0.000 0.334 417 Y C -0.325 175.476 175.900 -0.165 0.000 1.094 417 Y CA -1.304 56.529 58.100 -0.445 0.000 1.126 417 Y CB 1.517 39.638 38.460 -0.565 0.000 1.217 417 Y HN 0.717 nan 8.280 nan 0.000 0.462 418 E N 2.771 122.971 120.200 0.002 0.000 2.222 418 E HA 0.473 4.824 4.350 0.000 0.000 0.267 418 E C -1.206 175.446 176.600 0.087 0.000 0.884 418 E CA -1.158 55.237 56.400 -0.009 0.000 0.764 418 E CB 1.037 30.749 29.700 0.020 0.000 1.169 418 E HN 0.662 nan 8.360 nan 0.000 0.413 419 R N 3.176 123.713 120.500 0.062 0.000 2.393 419 R HA 0.312 4.652 4.340 0.000 0.000 0.315 419 R C -0.935 175.431 176.300 0.110 0.000 0.952 419 R CA -0.562 55.603 56.100 0.109 0.000 0.842 419 R CB 1.716 32.080 30.300 0.106 0.000 1.163 419 R HN 0.650 nan 8.270 nan 0.000 0.450 420 Q N 2.665 122.554 119.800 0.148 0.000 2.315 420 Q HA 0.482 4.822 4.340 0.000 0.000 0.273 420 Q C -1.858 174.300 176.000 0.263 0.000 1.053 420 Q CA -0.688 55.217 55.803 0.169 0.000 0.817 420 Q CB 1.954 30.763 28.738 0.118 0.000 1.326 420 Q HN 0.526 nan 8.270 nan 0.000 0.423 421 F N 4.408 124.413 119.950 0.091 0.000 2.828 421 F HA 0.564 5.091 4.527 0.000 0.000 0.355 421 F C 0.359 176.205 175.800 0.077 0.000 1.200 421 F CA 0.749 58.809 58.000 0.100 0.000 1.062 421 F CB 0.962 40.054 39.000 0.154 0.000 1.351 421 F HN 0.833 nan 8.300 nan 0.000 0.504 422 G N 5.660 114.298 108.800 -0.270 0.000 2.543 422 G HA2 -0.348 3.612 3.960 0.000 0.000 0.286 422 G HA3 -0.348 3.612 3.960 0.000 0.000 0.286 422 G C 0.764 175.656 174.900 -0.014 0.000 1.153 422 G CA 0.425 45.396 45.100 -0.214 0.000 0.968 422 G HN 0.643 nan 8.290 nan 0.000 0.544 423 K N 1.194 121.627 120.400 0.054 0.000 2.379 423 K HA 0.149 4.469 4.320 0.000 0.000 0.194 423 K C -0.155 176.587 176.600 0.236 0.000 1.031 423 K CA 0.141 56.511 56.287 0.139 0.000 1.037 423 K CB 0.258 32.868 32.500 0.184 0.000 0.824 423 K HN 0.402 nan 8.250 nan 0.000 0.516 424 D N 1.862 122.384 120.400 0.203 0.000 2.383 424 D HA 0.082 4.723 4.640 0.000 0.000 0.252 424 D C -0.621 175.799 176.300 0.200 0.000 1.166 424 D CA 0.321 54.447 54.000 0.209 0.000 0.879 424 D CB 1.620 42.546 40.800 0.210 0.000 1.164 424 D HN -0.179 nan 8.370 nan 0.000 0.462 425 V N 2.317 122.350 119.914 0.198 0.000 2.932 425 V HA 0.567 4.687 4.120 0.000 0.000 0.307 425 V C -1.645 174.507 176.094 0.097 0.000 1.147 425 V CA -0.703 61.680 62.300 0.138 0.000 0.951 425 V CB 2.360 34.250 31.823 0.111 0.000 1.031 425 V HN 0.242 nan 8.190 nan 0.000 0.426 426 V N 7.452 127.391 119.914 0.040 0.000 2.525 426 V HA 0.738 4.858 4.120 0.000 0.000 0.299 426 V C -1.332 174.721 176.094 -0.068 0.000 1.034 426 V CA -0.492 61.801 62.300 -0.011 0.000 0.863 426 V CB 1.522 33.324 31.823 -0.035 0.000 0.999 426 V HN 1.113 nan 8.190 nan 0.000 0.423 427 L N 6.925 128.115 121.223 -0.055 0.000 2.309 427 L HA 0.897 5.238 4.340 0.000 0.000 0.282 427 L C -0.685 176.107 176.870 -0.130 0.000 1.036 427 L CA -0.071 54.726 54.840 -0.072 0.000 0.806 427 L CB 1.813 43.867 42.059 -0.009 0.000 1.220 427 L HN 0.756 nan 8.230 nan 0.000 0.429 428 V N 4.567 124.287 119.914 -0.323 0.000 2.777 428 V HA 0.932 5.052 4.120 0.000 0.000 0.306 428 V C -1.243 174.633 176.094 -0.363 0.000 1.112 428 V CA 0.177 62.209 62.300 -0.446 0.000 0.917 428 V CB 1.691 33.096 31.823 -0.697 0.000 1.018 428 V HN 1.091 nan 8.190 nan 0.000 0.426 429 A N 5.504 128.239 122.820 -0.142 0.000 2.355 429 A HA 0.940 5.261 4.320 0.000 0.000 0.317 429 A C -0.856 176.696 177.584 -0.053 0.000 1.094 429 A CA -0.132 51.871 52.037 -0.058 0.000 0.764 429 A CB 1.859 20.950 19.000 0.153 0.000 1.230 429 A HN 2.189 nan 8.150 nan 0.000 0.448 430 V N 2.005 121.867 119.914 -0.086 0.000 2.733 430 V HA 0.691 4.811 4.120 0.000 0.000 0.306 430 V C -1.591 174.532 176.094 0.049 0.000 1.084 430 V CA -0.781 61.516 62.300 -0.005 0.000 0.905 430 V CB 2.045 33.895 31.823 0.043 0.000 1.010 430 V HN 0.876 nan 8.190 nan 0.000 0.424 431 N N 4.820 123.599 118.700 0.132 0.000 2.501 431 N HA 0.408 5.148 4.740 0.000 0.000 0.245 431 N C 0.973 176.635 175.510 0.253 0.000 0.974 431 N CA -0.354 52.811 53.050 0.192 0.000 0.941 431 N CB 1.568 40.160 38.487 0.176 0.000 1.122 431 N HN 0.881 nan 8.380 nan 0.000 0.507 432 R N 1.493 122.199 120.500 0.343 0.000 2.236 432 R HA 0.116 4.456 4.340 0.000 0.000 0.208 432 R C 0.766 177.157 176.300 0.151 0.000 1.036 432 R CA -0.049 56.197 56.100 0.243 0.000 1.001 432 R CB -0.124 30.272 30.300 0.160 0.000 0.896 432 R HN 0.330 nan 8.270 nan 0.000 0.464 433 S N 0.742 116.549 115.700 0.179 0.000 2.573 433 S HA 0.008 4.478 4.470 0.000 0.000 0.277 433 S C 1.054 175.723 174.600 0.115 0.000 1.346 433 S CA -0.035 58.254 58.200 0.149 0.000 1.034 433 S CB 1.125 64.450 63.200 0.209 0.000 0.879 433 S HN 0.505 nan 8.310 nan 0.000 0.528 434 S N 1.471 117.220 115.700 0.082 0.000 2.511 434 S HA 0.136 4.607 4.470 0.000 0.000 0.214 434 S C 1.145 175.775 174.600 0.050 0.000 0.997 434 S CA 0.531 58.767 58.200 0.060 0.000 0.908 434 S CB -0.009 63.217 63.200 0.042 0.000 0.803 434 S HN 0.883 nan 8.310 nan 0.000 0.504 435 S N -0.239 115.493 115.700 0.054 0.000 2.761 435 S HA 0.348 4.818 4.470 0.000 0.000 0.273 435 S C 0.368 174.977 174.600 0.015 0.000 1.073 435 S CA -0.195 58.023 58.200 0.031 0.000 1.048 435 S CB -0.133 63.079 63.200 0.021 0.000 0.955 435 S HN 0.232 nan 8.310 nan 0.000 0.500 436 S N 2.551 118.267 115.700 0.026 0.000 2.601 436 S HA 0.553 5.023 4.470 0.000 0.000 0.271 436 S C -0.363 174.176 174.600 -0.102 0.000 1.305 436 S CA -0.482 57.676 58.200 -0.071 0.000 1.022 436 S CB 0.898 64.059 63.200 -0.065 0.000 0.940 436 S HN 0.645 nan 8.310 nan 0.000 0.525 437 N N -0.164 118.351 118.700 -0.309 0.000 2.328 437 N HA 0.626 5.367 4.740 0.000 0.000 0.299 437 N C -1.937 173.234 175.510 -0.565 0.000 1.179 437 N CA -0.501 52.409 53.050 -0.233 0.000 0.793 437 N CB 0.907 39.327 38.487 -0.112 0.000 1.366 437 N HN 0.527 nan 8.380 nan 0.000 0.493 438 Y N -0.619 119.652 120.300 -0.048 0.000 2.615 438 Y HA 0.498 5.048 4.550 0.000 0.000 0.341 438 Y C -0.631 175.154 175.900 -0.193 0.000 1.089 438 Y CA -0.959 57.091 58.100 -0.084 0.000 1.049 438 Y CB 2.466 40.875 38.460 -0.085 0.000 1.296 438 Y HN 0.334 nan 8.280 nan 0.000 0.470 439 S N 2.345 118.046 115.700 0.000 0.000 2.653 439 S HA 0.393 4.863 4.470 0.000 0.000 0.272 439 S C -0.942 173.530 174.600 -0.214 0.000 1.221 439 S CA -0.518 57.592 58.200 -0.150 0.000 1.149 439 S CB -0.117 63.051 63.200 -0.054 0.000 1.029 439 S HN 0.334 nan 8.310 nan 0.000 0.481 440 I N 4.868 125.073 120.570 -0.607 0.000 2.573 440 I HA 0.103 4.273 4.170 0.000 0.000 0.295 440 I C 1.148 177.057 176.117 -0.347 0.000 1.141 440 I CA 0.284 61.095 61.300 -0.816 0.000 1.364 440 I CB -1.487 35.678 38.000 -1.393 0.000 1.447 440 I HN 0.479 nan 8.210 nan 0.000 0.571 441 T N 0.643 115.201 114.554 0.006 0.000 2.932 441 T HA 0.672 5.022 4.350 0.000 0.000 0.289 441 T C 0.856 175.700 174.700 0.241 0.000 1.039 441 T CA -0.302 61.849 62.100 0.085 0.000 1.024 441 T CB 2.028 70.950 68.868 0.090 0.000 1.090 441 T HN 0.897 nan 8.240 nan 0.000 0.496 442 G N 0.405 109.276 108.800 0.118 0.000 2.198 442 G HA2 -0.184 3.776 3.960 0.000 0.000 0.260 442 G HA3 -0.184 3.776 3.960 0.000 0.000 0.260 442 G C -0.227 174.813 174.900 0.233 0.000 1.025 442 G CA 0.243 45.461 45.100 0.196 0.000 0.769 442 G HN 1.018 nan 8.290 nan 0.000 0.507 443 L N -0.097 121.131 121.223 0.009 0.000 2.326 443 L HA 0.851 5.191 4.340 0.000 0.000 0.278 443 L C -0.366 176.317 176.870 -0.311 0.000 1.092 443 L CA -0.720 54.156 54.840 0.061 0.000 0.810 443 L CB 0.509 42.551 42.059 -0.027 0.000 1.153 443 L HN 0.048 nan 8.230 nan 0.000 0.439 444 F N 2.739 122.747 119.950 0.096 0.000 2.551 444 F HA 0.639 5.167 4.527 0.000 0.000 0.316 444 F C 0.264 176.071 175.800 0.011 0.000 1.089 444 F CA -0.442 57.583 58.000 0.040 0.000 0.915 444 F CB 2.377 41.403 39.000 0.043 0.000 1.186 444 F HN 0.461 nan 8.300 nan 0.000 0.456 445 T N 0.506 115.143 114.554 0.138 0.000 2.896 445 T HA 0.634 4.985 4.350 0.000 0.000 0.297 445 T C 0.248 174.965 174.700 0.028 0.000 1.108 445 T CA -0.049 62.073 62.100 0.037 0.000 1.004 445 T CB 1.686 70.500 68.868 -0.090 0.000 1.159 445 T HN 0.672 nan 8.240 nan 0.000 0.499 446 A N 2.571 125.393 122.820 0.004 0.000 2.208 446 A HA 0.401 4.721 4.320 0.000 0.000 0.209 446 A C 0.820 178.375 177.584 -0.049 0.000 1.161 446 A CA 0.185 52.221 52.037 -0.002 0.000 0.782 446 A CB -0.630 18.383 19.000 0.021 0.000 0.816 446 A HN 0.703 nan 8.150 nan 0.000 0.477 447 L N 1.068 122.227 121.223 -0.105 0.000 2.453 447 L HA 0.174 4.514 4.340 0.000 0.000 0.272 447 L C -2.201 174.579 176.870 -0.150 0.000 1.182 447 L CA -1.693 53.041 54.840 -0.177 0.000 0.858 447 L CB 0.091 41.892 42.059 -0.430 0.000 1.120 447 L HN 0.048 nan 8.230 nan 0.000 0.474 448 P HA -0.013 nan 4.420 nan 0.000 0.265 448 P C -0.563 176.734 177.300 -0.005 0.000 1.187 448 P CA -0.185 62.795 63.100 -0.200 0.000 0.766 448 P CB 0.528 31.935 31.700 -0.489 0.000 0.820 449 A N 2.641 125.450 122.820 -0.018 0.000 2.567 449 A HA 0.470 4.790 4.320 0.000 0.000 0.240 449 A C 0.930 178.543 177.584 0.048 0.000 1.053 449 A CA 1.367 53.417 52.037 0.020 0.000 0.755 449 A CB -0.978 18.018 19.000 -0.007 0.000 0.978 449 A HN 0.739 nan 8.150 nan 0.000 0.507 450 G N 0.363 109.221 108.800 0.096 0.000 2.336 450 G HA2 0.484 4.444 3.960 0.000 0.000 0.286 450 G HA3 0.484 4.444 3.960 0.000 0.000 0.286 450 G C -0.849 174.046 174.900 -0.009 0.000 1.269 450 G CA -0.023 45.066 45.100 -0.018 0.000 0.873 450 G HN 0.908 nan 8.290 nan 0.000 0.494 451 T N 0.703 115.119 114.554 -0.229 0.000 2.792 451 T HA 0.667 5.017 4.350 0.000 0.000 0.280 451 T C -1.593 172.897 174.700 -0.350 0.000 0.990 451 T CA 0.005 62.005 62.100 -0.167 0.000 0.960 451 T CB 0.933 69.727 68.868 -0.124 0.000 0.939 451 T HN 0.380 nan 8.240 nan 0.000 0.439 452 Y N 1.446 121.688 120.300 -0.097 0.000 2.391 452 Y HA 0.485 5.035 4.550 0.000 0.000 0.341 452 Y C 0.947 176.944 175.900 0.161 0.000 0.965 452 Y CA -1.200 56.925 58.100 0.041 0.000 1.067 452 Y CB 1.542 40.034 38.460 0.053 0.000 1.199 452 Y HN 0.638 nan 8.280 nan 0.000 0.450 453 T N -1.621 113.132 114.554 0.330 0.000 2.909 453 T HA 0.254 4.605 4.350 0.000 0.000 0.286 453 T C -0.310 174.590 174.700 0.333 0.000 1.002 453 T CA -0.950 61.324 62.100 0.289 0.000 1.074 453 T CB 1.265 70.204 68.868 0.119 0.000 0.984 453 T HN 0.596 nan 8.240 nan 0.000 0.495 454 D N 1.643 122.174 120.400 0.218 0.000 2.493 454 D HA -0.021 4.619 4.640 0.000 0.000 0.240 454 D C 1.196 177.353 176.300 -0.239 0.000 1.142 454 D CA -0.029 53.798 54.000 -0.288 0.000 0.872 454 D CB 0.755 41.420 40.800 -0.224 0.000 1.173 454 D HN 0.422 nan 8.370 nan 0.000 0.467 455 Q N 2.999 122.586 119.800 -0.355 0.000 2.488 455 Q HA -0.008 4.332 4.340 0.000 0.000 0.211 455 Q C 1.389 177.291 176.000 -0.163 0.000 0.967 455 Q CA 0.494 56.179 55.803 -0.197 0.000 0.926 455 Q CB 0.101 28.729 28.738 -0.183 0.000 0.992 455 Q HN 0.694 nan 8.270 nan 0.000 0.506 456 L N -1.114 119.993 121.223 -0.193 0.000 2.477 456 L HA 0.101 4.441 4.340 0.000 0.000 0.220 456 L C 1.072 177.897 176.870 -0.074 0.000 1.106 456 L CA 0.530 55.293 54.840 -0.127 0.000 0.851 456 L CB -0.050 41.920 42.059 -0.149 0.000 0.994 456 L HN 0.321 nan 8.230 nan 0.000 0.462 457 G N 0.065 108.823 108.800 -0.070 0.000 2.160 457 G HA2 -0.254 3.706 3.960 0.000 0.000 0.251 457 G HA3 -0.254 3.706 3.960 0.000 0.000 0.251 457 G C 0.935 175.825 174.900 -0.017 0.000 1.008 457 G CA 0.312 45.394 45.100 -0.030 0.000 0.724 457 G HN 0.649 nan 8.290 nan 0.000 0.514 458 G N -1.896 106.887 108.800 -0.028 0.000 2.159 458 G HA2 -0.173 3.787 3.960 0.000 0.000 0.256 458 G HA3 -0.173 3.787 3.960 0.000 0.000 0.256 458 G C 1.121 176.021 174.900 -0.001 0.000 0.977 458 G CA 0.636 45.733 45.100 -0.005 0.000 0.652 458 G HN 1.212 nan 8.290 nan 0.000 0.531 459 L N -0.367 120.850 121.223 -0.009 0.000 2.129 459 L HA 0.081 4.421 4.340 0.000 0.000 0.212 459 L C 2.257 179.136 176.870 0.015 0.000 1.087 459 L CA 1.930 56.775 54.840 0.008 0.000 0.757 459 L CB -0.326 41.738 42.059 0.008 0.000 0.896 459 L HN 0.516 nan 8.230 nan 0.000 0.434 460 L N -0.581 120.644 121.223 0.003 0.000 3.154 460 L HA 0.206 4.546 4.340 0.000 0.000 0.266 460 L C -0.216 176.669 176.870 0.026 0.000 1.300 460 L CA -0.293 54.557 54.840 0.017 0.000 1.028 460 L CB 0.027 42.092 42.059 0.011 0.000 1.412 460 L HN 0.136 nan 8.230 nan 0.000 0.564 461 D N -0.098 120.319 120.400 0.029 0.000 2.800 461 D HA -0.138 4.502 4.640 0.000 0.000 0.232 461 D C 0.746 177.084 176.300 0.063 0.000 1.137 461 D CA 1.055 55.083 54.000 0.046 0.000 0.718 461 D CB -1.086 39.747 40.800 0.056 0.000 1.084 461 D HN 0.515 nan 8.370 nan 0.000 0.432 462 G N 0.224 109.043 108.800 0.032 0.000 2.406 462 G HA2 0.271 4.231 3.960 0.000 0.000 0.251 462 G HA3 0.271 4.231 3.960 0.000 0.000 0.251 462 G C 0.512 175.479 174.900 0.112 0.000 1.271 462 G CA -0.210 44.908 45.100 0.030 0.000 0.859 462 G HN 0.074 nan 8.290 nan 0.000 0.540 463 N N -0.087 118.759 118.700 0.243 0.000 2.448 463 N HA 0.409 5.149 4.740 0.000 0.000 0.274 463 N C -0.205 175.509 175.510 0.340 0.000 1.239 463 N CA -0.055 53.139 53.050 0.239 0.000 0.982 463 N CB 1.375 39.977 38.487 0.191 0.000 1.199 463 N HN 0.299 nan 8.380 nan 0.000 0.576 464 T N 1.137 115.761 114.554 0.118 0.000 2.771 464 T HA 0.540 4.890 4.350 0.000 0.000 0.281 464 T C 0.118 174.662 174.700 -0.261 0.000 0.982 464 T CA -0.433 61.692 62.100 0.043 0.000 0.978 464 T CB 0.275 69.157 68.868 0.024 0.000 0.930 464 T HN 0.418 nan 8.240 nan 0.000 0.447 465 I N 0.552 120.820 120.570 -0.504 0.000 2.910 465 I HA 0.741 4.911 4.170 0.000 0.000 0.310 465 I C -0.675 175.240 176.117 -0.338 0.000 1.043 465 I CA -0.992 59.889 61.300 -0.697 0.000 1.053 465 I CB 1.857 39.048 38.000 -1.349 0.000 1.242 465 I HN 0.229 nan 8.210 nan 0.000 0.452 466 Q N 2.956 122.583 119.800 -0.289 0.000 2.330 466 Q HA 0.524 4.864 4.340 0.000 0.000 0.269 466 Q C -1.580 174.339 176.000 -0.135 0.000 1.022 466 Q CA -0.702 55.019 55.803 -0.137 0.000 0.796 466 Q CB 2.573 31.244 28.738 -0.112 0.000 1.271 466 Q HN 0.697 nan 8.270 nan 0.000 0.450 467 V N 2.736 122.628 119.914 -0.036 0.000 2.398 467 V HA 0.681 4.801 4.120 0.000 0.000 0.286 467 V C 0.705 176.780 176.094 -0.031 0.000 1.026 467 V CA -0.386 61.883 62.300 -0.053 0.000 0.868 467 V CB 1.219 33.025 31.823 -0.029 0.000 0.982 467 V HN 0.844 nan 8.190 nan 0.000 0.443 468 G N 3.104 111.873 108.800 -0.051 0.000 3.019 468 G HA2 0.453 4.414 3.960 0.000 0.000 0.152 468 G HA3 0.453 4.414 3.960 0.000 0.000 0.152 468 G C -0.095 174.801 174.900 -0.008 0.000 1.320 468 G CA -0.490 44.592 45.100 -0.030 0.000 1.013 468 G HN 0.613 nan 8.290 nan 0.000 0.593 469 S N 0.585 116.289 115.700 0.007 0.000 2.584 469 S HA 0.284 4.754 4.470 0.000 0.000 0.273 469 S C 0.218 174.864 174.600 0.078 0.000 1.311 469 S CA -0.257 57.962 58.200 0.032 0.000 1.034 469 S CB 0.798 64.017 63.200 0.032 0.000 0.939 469 S HN 0.584 nan 8.310 nan 0.000 0.513 470 N N 0.703 119.458 118.700 0.091 0.000 2.776 470 N HA -0.186 4.554 4.740 0.000 0.000 0.250 470 N C 0.696 176.356 175.510 0.250 0.000 1.112 470 N CA 1.056 54.197 53.050 0.151 0.000 0.733 470 N CB -1.699 36.899 38.487 0.185 0.000 1.097 470 N HN 1.275 nan 8.380 nan 0.000 0.558 471 G N -0.675 108.217 108.800 0.153 0.000 2.153 471 G HA2 -0.321 3.640 3.960 0.000 0.000 0.252 471 G HA3 -0.321 3.640 3.960 0.000 0.000 0.252 471 G C 0.033 174.988 174.900 0.093 0.000 0.994 471 G CA 0.877 46.065 45.100 0.145 0.000 0.698 471 G HN 1.133 nan 8.290 nan 0.000 0.521 472 S N -0.594 115.083 115.700 -0.038 0.000 2.523 472 S HA 0.607 5.077 4.470 0.000 0.000 0.275 472 S C 0.504 174.912 174.600 -0.320 0.000 1.281 472 S CA -0.184 57.728 58.200 -0.479 0.000 1.050 472 S CB 1.381 64.365 63.200 -0.361 0.000 0.937 472 S HN 0.857 nan 8.310 nan 0.000 0.492 473 V N 6.044 125.722 119.914 -0.393 0.000 2.481 473 V HA 0.296 4.416 4.120 0.000 0.000 0.286 473 V C 0.671 176.650 176.094 -0.191 0.000 1.042 473 V CA -0.907 61.234 62.300 -0.263 0.000 0.928 473 V CB 1.233 32.898 31.823 -0.264 0.000 0.986 473 V HN 0.939 nan 8.190 nan 0.000 0.462 474 N N 2.341 120.957 118.700 -0.140 0.000 2.492 474 N HA 0.310 5.050 4.740 0.000 0.000 0.262 474 N C 0.284 175.815 175.510 0.036 0.000 1.202 474 N CA -0.211 52.799 53.050 -0.068 0.000 0.926 474 N CB 0.840 39.283 38.487 -0.074 0.000 1.078 474 N HN 0.895 nan 8.380 nan 0.000 0.454 475 A N 2.259 125.093 122.820 0.023 0.000 2.555 475 A HA 0.253 4.573 4.320 0.000 0.000 0.233 475 A C -0.324 177.349 177.584 0.147 0.000 1.060 475 A CA 0.534 52.590 52.037 0.032 0.000 0.759 475 A CB -0.419 18.576 19.000 -0.008 0.000 0.995 475 A HN 0.665 nan 8.150 nan 0.000 0.506 476 F N -0.845 119.030 119.950 -0.127 0.000 2.678 476 F HA 0.629 5.156 4.527 0.000 0.000 0.308 476 F C -1.245 174.502 175.800 -0.087 0.000 1.118 476 F CA -1.742 56.193 58.000 -0.109 0.000 0.959 476 F CB 0.619 39.536 39.000 -0.139 0.000 1.305 476 F HN 0.436 nan 8.300 nan 0.000 0.443 477 D N 1.732 122.090 120.400 -0.069 0.000 2.255 477 D HA 0.559 5.199 4.640 0.000 0.000 0.249 477 D C -1.344 174.923 176.300 -0.055 0.000 1.078 477 D CA 0.080 54.015 54.000 -0.108 0.000 0.896 477 D CB 1.633 42.424 40.800 -0.016 0.000 1.194 477 D HN 0.609 nan 8.370 nan 0.000 0.429 478 L N 2.457 123.616 121.223 -0.106 0.000 2.427 478 L HA 0.523 4.863 4.340 0.000 0.000 0.264 478 L C 0.205 177.120 176.870 0.074 0.000 0.989 478 L CA -0.236 54.601 54.840 -0.005 0.000 0.865 478 L CB 1.321 43.305 42.059 -0.126 0.000 1.209 478 L HN 0.444 nan 8.230 nan 0.000 0.430 479 G N 3.769 112.618 108.800 0.083 0.000 2.557 479 G HA2 0.543 4.503 3.960 0.000 0.000 0.292 479 G HA3 0.543 4.503 3.960 0.000 0.000 0.292 479 G C -2.758 172.205 174.900 0.105 0.000 1.237 479 G CA -1.447 43.699 45.100 0.077 0.000 0.978 479 G HN 0.410 nan 8.290 nan 0.000 0.498 480 P HA 0.204 nan 4.420 nan 0.000 0.267 480 P C 0.806 178.162 177.300 0.093 0.000 1.209 480 P CA 1.343 64.504 63.100 0.102 0.000 0.763 480 P CB 0.948 32.694 31.700 0.076 0.000 0.816 481 G N 1.583 110.448 108.800 0.109 0.000 2.148 481 G HA2 -0.243 3.717 3.960 0.000 0.000 0.254 481 G HA3 -0.243 3.717 3.960 0.000 0.000 0.254 481 G C 0.240 175.195 174.900 0.091 0.000 0.981 481 G CA -0.321 44.839 45.100 0.100 0.000 0.670 481 G HN 0.535 nan 8.290 nan 0.000 0.528 482 E N -0.055 120.203 120.200 0.097 0.000 2.360 482 E HA 0.462 4.813 4.350 0.000 0.000 0.269 482 E C -0.087 176.558 176.600 0.076 0.000 1.022 482 E CA 0.133 56.587 56.400 0.090 0.000 0.887 482 E CB 1.493 31.261 29.700 0.113 0.000 0.990 482 E HN 0.313 nan 8.360 nan 0.000 0.426 483 V N 1.982 121.919 119.914 0.038 0.000 2.668 483 V HA 0.600 4.720 4.120 0.000 0.000 0.304 483 V C 0.150 176.169 176.094 -0.125 0.000 1.071 483 V CA -0.893 61.392 62.300 -0.026 0.000 0.894 483 V CB 2.092 33.899 31.823 -0.026 0.000 1.008 483 V HN 0.701 nan 8.190 nan 0.000 0.425 484 G N 2.311 110.951 108.800 -0.267 0.000 2.638 484 G HA2 0.723 4.683 3.960 0.000 0.000 0.302 484 G HA3 0.723 4.683 3.960 0.000 0.000 0.302 484 G C -1.684 172.460 174.900 -1.260 0.000 1.365 484 G CA -0.698 43.926 45.100 -0.792 0.000 0.987 484 G HN 0.614 nan 8.290 nan 0.000 0.495 485 V N 2.010 121.029 119.914 -1.492 0.000 2.525 485 V HA 0.579 4.699 4.120 0.000 0.000 0.299 485 V C -1.098 174.324 176.094 -1.120 0.000 1.034 485 V CA -0.817 60.871 62.300 -1.020 0.000 0.863 485 V CB 1.707 33.224 31.823 -0.510 0.000 0.999 485 V HN 0.720 nan 8.190 nan 0.000 0.423 486 W N 2.996 124.219 121.300 -0.128 0.000 2.656 486 W HA 0.853 5.513 4.660 0.000 0.000 0.327 486 W C -0.070 176.400 176.519 -0.083 0.000 1.041 486 W CA -0.703 56.586 57.345 -0.094 0.000 1.229 486 W CB 2.404 31.739 29.460 -0.208 0.000 1.397 486 W HN 0.653 nan 8.180 nan 0.000 0.479 487 A N 2.962 125.907 122.820 0.209 0.000 2.469 487 A HA 0.821 5.141 4.320 0.000 0.000 0.299 487 A C -2.503 175.263 177.584 0.303 0.000 1.098 487 A CA -0.650 51.479 52.037 0.153 0.000 0.737 487 A CB 2.605 21.636 19.000 0.053 0.000 1.312 487 A HN 0.562 nan 8.150 nan 0.000 0.414 488 Y N 0.605 120.984 120.300 0.132 0.000 2.396 488 Y HA 0.627 5.177 4.550 0.000 0.000 0.332 488 Y C -0.335 175.625 175.900 0.101 0.000 1.034 488 Y CA -0.184 58.019 58.100 0.171 0.000 1.057 488 Y CB 2.002 40.599 38.460 0.229 0.000 1.220 488 Y HN 0.865 nan 8.280 nan 0.000 0.440 489 S N 4.094 119.269 115.700 -0.875 0.000 2.570 489 S HA 0.990 5.460 4.470 0.000 0.000 0.286 489 S C -1.494 172.625 174.600 -0.802 0.000 1.099 489 S CA 0.167 58.044 58.200 -0.539 0.000 0.913 489 S CB 1.421 64.471 63.200 -0.251 0.000 1.085 489 S HN 1.412 nan 8.310 nan 0.000 0.480 490 A N 1.812 124.466 122.820 -0.278 0.000 2.590 490 A HA 0.613 4.933 4.320 0.000 0.000 0.294 490 A C -0.473 177.113 177.584 0.003 0.000 1.046 490 A CA -0.764 51.223 52.037 -0.084 0.000 0.684 490 A CB 0.616 19.720 19.000 0.173 0.000 1.279 490 A HN 0.711 nan 8.150 nan 0.000 0.415 491 T N 1.530 116.092 114.554 0.014 0.000 2.940 491 T HA 0.381 4.731 4.350 0.000 0.000 0.309 491 T C 0.137 174.854 174.700 0.028 0.000 1.056 491 T CA 0.783 62.893 62.100 0.016 0.000 1.137 491 T CB 0.479 69.357 68.868 0.016 0.000 0.976 491 T HN 0.662 nan 8.240 nan 0.000 0.547 492 E N 0.336 120.543 120.200 0.012 0.000 2.222 492 E HA 0.587 4.938 4.350 0.000 0.000 0.267 492 E C 0.026 176.626 176.600 0.000 0.000 0.963 492 E CA -0.504 55.895 56.400 -0.002 0.000 0.837 492 E CB 1.560 31.239 29.700 -0.035 0.000 1.183 492 E HN 0.441 nan 8.360 nan 0.000 0.403 493 S N 0.451 116.153 115.700 0.004 0.000 2.998 493 S HA 0.140 4.610 4.470 0.000 0.000 0.256 493 S C -1.066 173.551 174.600 0.029 0.000 0.970 493 S CA 0.161 58.374 58.200 0.022 0.000 1.238 493 S CB 0.176 63.393 63.200 0.027 0.000 1.170 493 S HN 0.585 nan 8.310 nan 0.000 0.663 494 T N 1.681 116.242 114.554 0.011 0.000 2.809 494 T HA 0.576 4.926 4.350 0.000 0.000 0.284 494 T C -3.337 171.368 174.700 0.008 0.000 0.992 494 T CA -2.364 59.745 62.100 0.016 0.000 0.957 494 T CB 1.591 70.457 68.868 -0.004 0.000 0.942 494 T HN -0.112 nan 8.240 nan 0.000 0.439 495 P HA 0.240 nan 4.420 nan 0.000 0.261 495 P C -0.301 177.051 177.300 0.087 0.000 1.203 495 P CA -0.170 63.026 63.100 0.159 0.000 0.767 495 P CB -0.059 31.808 31.700 0.278 0.000 0.785 496 I N 1.068 121.640 120.570 0.003 0.000 2.499 496 I HA 0.515 4.685 4.170 0.000 0.000 0.288 496 I C -0.593 175.593 176.117 0.115 0.000 1.048 496 I CA -1.517 59.745 61.300 -0.064 0.000 1.062 496 I CB 1.925 39.697 38.000 -0.380 0.000 1.238 496 I HN 0.039 nan 8.210 nan 0.000 0.426 497 I N 5.891 126.585 120.570 0.206 0.000 2.304 497 I HA 0.333 4.504 4.170 0.000 0.000 0.291 497 I C 1.308 177.595 176.117 0.283 0.000 1.018 497 I CA 0.015 61.473 61.300 0.263 0.000 1.260 497 I CB 1.758 39.864 38.000 0.176 0.000 1.390 497 I HN 0.941 nan 8.210 nan 0.000 0.475 498 G N 4.465 113.262 108.800 -0.006 0.000 2.441 498 G HA2 -0.055 3.905 3.960 0.000 0.000 0.212 498 G HA3 -0.055 3.905 3.960 0.000 0.000 0.212 498 G C 0.198 174.850 174.900 -0.414 0.000 1.164 498 G CA 0.505 45.158 45.100 -0.746 0.000 0.811 498 G HN 0.639 nan 8.290 nan 0.000 0.535 499 H N -2.199 116.610 119.070 -0.434 0.000 3.064 499 H HA 0.552 5.108 4.556 0.000 0.000 0.352 499 H C -1.879 173.134 175.328 -0.525 0.000 1.260 499 H CA -0.686 55.198 56.048 -0.274 0.000 1.160 499 H CB 2.023 31.821 29.762 0.060 0.000 1.879 499 H HN 0.018 nan 8.280 nan 0.000 0.544 500 V N 2.881 122.048 119.914 -1.246 0.000 2.638 500 V HA 0.801 4.921 4.120 0.000 0.000 0.306 500 V C 0.025 175.817 176.094 -0.503 0.000 1.052 500 V CA -0.035 61.822 62.300 -0.737 0.000 0.885 500 V CB 1.621 33.027 31.823 -0.694 0.000 0.999 500 V HN 1.014 nan 8.190 nan 0.000 0.424 501 G N 4.372 113.136 108.800 -0.059 0.000 2.753 501 G HA2 0.753 4.713 3.960 0.000 0.000 0.297 501 G HA3 0.753 4.713 3.960 0.000 0.000 0.297 501 G C -3.319 171.700 174.900 0.198 0.000 1.430 501 G CA -1.293 43.902 45.100 0.159 0.000 1.040 501 G HN 0.505 nan 8.290 nan 0.000 0.530 502 P HA 0.292 nan 4.420 nan 0.000 0.302 502 P C 0.628 178.078 177.300 0.251 0.000 1.301 502 P CA -0.360 62.874 63.100 0.224 0.000 0.745 502 P CB 0.802 32.609 31.700 0.178 0.000 1.331 503 M N -1.615 118.017 119.600 0.054 0.000 2.313 503 M HA 0.308 4.788 4.480 0.000 0.000 0.273 503 M C 0.216 176.061 176.300 -0.760 0.000 1.049 503 M CA 0.411 55.613 55.300 -0.163 0.000 1.004 503 M CB -0.244 32.336 32.600 -0.034 0.000 1.461 503 M HN 0.396 nan 8.290 nan 0.000 0.514 504 M N -0.218 119.039 119.600 -0.570 0.000 2.501 504 M HA 0.658 5.138 4.480 0.000 0.000 0.293 504 M C -1.075 175.150 176.300 -0.125 0.000 1.192 504 M CA -0.279 54.722 55.300 -0.498 0.000 0.886 504 M CB 2.828 35.307 32.600 -0.203 0.000 1.710 504 M HN 0.165 nan 8.290 nan 0.000 0.457 505 G N 2.133 110.939 108.800 0.010 0.000 2.430 505 G HA2 0.429 4.390 3.960 0.000 0.000 0.300 505 G HA3 0.429 4.390 3.960 0.000 0.000 0.300 505 G C -2.201 172.756 174.900 0.095 0.000 1.330 505 G CA -0.512 44.785 45.100 0.327 0.000 0.813 505 G HN 0.580 nan 8.290 nan 0.000 0.487 506 Q N -1.005 118.651 119.800 -0.239 0.000 2.286 506 Q HA 0.605 4.945 4.340 0.000 0.000 0.250 506 Q C -0.153 175.640 176.000 -0.346 0.000 1.021 506 Q CA -0.900 54.663 55.803 -0.399 0.000 0.930 506 Q CB 2.031 30.380 28.738 -0.649 0.000 1.266 506 Q HN 0.359 nan 8.270 nan 0.000 0.491 507 V N 0.897 120.650 119.914 -0.268 0.000 2.521 507 V HA 0.312 4.433 4.120 0.000 0.000 0.286 507 V C 1.125 177.095 176.094 -0.207 0.000 1.034 507 V CA 1.718 63.886 62.300 -0.220 0.000 1.045 507 V CB 0.284 32.006 31.823 -0.168 0.000 0.974 507 V HN 1.034 nan 8.190 nan 0.000 0.480 508 G N 3.429 112.125 108.800 -0.174 0.000 2.175 508 G HA2 -0.216 3.744 3.960 0.000 0.000 0.244 508 G HA3 -0.216 3.744 3.960 0.000 0.000 0.244 508 G C 0.187 175.109 174.900 0.036 0.000 0.982 508 G CA 0.223 45.271 45.100 -0.086 0.000 0.641 508 G HN 0.757 nan 8.290 nan 0.000 0.527 509 H N 0.215 119.258 119.070 -0.043 0.000 2.660 509 H HA 0.397 4.953 4.556 0.000 0.000 0.374 509 H C 0.214 175.532 175.328 -0.017 0.000 1.291 509 H CA -0.226 55.822 56.048 -0.000 0.000 1.437 509 H CB 0.437 30.241 29.762 0.070 0.000 1.509 509 H HN 0.131 nan 8.280 nan 0.000 0.614 510 Q N 1.526 121.393 119.800 0.112 0.000 2.278 510 Q HA 0.301 4.641 4.340 0.000 0.000 0.257 510 Q C -0.924 175.113 176.000 0.062 0.000 0.928 510 Q CA -0.467 55.360 55.803 0.041 0.000 0.932 510 Q CB 2.066 30.806 28.738 0.004 0.000 1.221 510 Q HN 0.262 nan 8.270 nan 0.000 0.434 511 V N 2.325 122.256 119.914 0.028 0.000 2.540 511 V HA 0.455 4.575 4.120 0.000 0.000 0.302 511 V C -0.157 175.923 176.094 -0.025 0.000 1.035 511 V CA -0.583 61.733 62.300 0.027 0.000 0.873 511 V CB 2.220 34.014 31.823 -0.048 0.000 0.992 511 V HN 0.723 nan 8.190 nan 0.000 0.428 512 T N 6.018 120.569 114.554 -0.006 0.000 2.794 512 T HA 0.695 5.046 4.350 0.000 0.000 0.280 512 T C -0.346 174.309 174.700 -0.075 0.000 0.987 512 T CA -0.142 61.936 62.100 -0.036 0.000 0.993 512 T CB 1.026 69.901 68.868 0.011 0.000 0.939 512 T HN 0.384 nan 8.240 nan 0.000 0.449 513 I N 2.960 123.442 120.570 -0.147 0.000 2.378 513 I HA 0.393 4.563 4.170 0.000 0.000 0.291 513 I C -0.346 175.750 176.117 -0.034 0.000 0.992 513 I CA -0.749 60.435 61.300 -0.194 0.000 1.154 513 I CB 1.504 39.264 38.000 -0.400 0.000 1.315 513 I HN 0.464 nan 8.210 nan 0.000 0.448 514 D N 4.754 125.185 120.400 0.051 0.000 2.362 514 D HA 0.733 5.373 4.640 0.000 0.000 0.247 514 D C 0.084 176.411 176.300 0.044 0.000 1.050 514 D CA -0.052 54.023 54.000 0.126 0.000 0.839 514 D CB 2.592 43.468 40.800 0.127 0.000 1.283 514 D HN 0.803 nan 8.370 nan 0.000 0.477 515 G N 1.015 109.786 108.800 -0.049 0.000 2.435 515 G HA2 0.332 4.292 3.960 0.000 0.000 0.228 515 G HA3 0.332 4.292 3.960 0.000 0.000 0.228 515 G C -1.521 173.001 174.900 -0.629 0.000 1.198 515 G CA -0.495 44.360 45.100 -0.408 0.000 0.948 515 G HN 0.334 nan 8.290 nan 0.000 0.487 516 E N -1.044 118.646 120.200 -0.851 0.000 2.412 516 E HA 0.507 4.857 4.350 0.000 0.000 0.279 516 E C 0.215 176.485 176.600 -0.550 0.000 0.984 516 E CA -0.194 55.877 56.400 -0.550 0.000 0.788 516 E CB 1.732 31.367 29.700 -0.107 0.000 1.277 516 E HN 2.074 nan 8.360 nan 0.000 0.455 517 G N 1.013 109.650 108.800 -0.271 0.000 2.147 517 G HA2 -0.299 3.662 3.960 0.000 0.000 0.244 517 G HA3 -0.299 3.662 3.960 0.000 0.000 0.244 517 G C 0.429 175.390 174.900 0.102 0.000 1.005 517 G CA 0.435 45.497 45.100 -0.064 0.000 0.713 517 G HN 0.348 nan 8.290 nan 0.000 0.515 518 F N 0.943 120.940 119.950 0.078 0.000 2.259 518 F HA 0.353 4.880 4.527 0.000 0.000 0.298 518 F C 2.066 178.064 175.800 0.332 0.000 1.088 518 F CA 1.246 59.324 58.000 0.129 0.000 1.358 518 F CB -0.790 38.153 39.000 -0.095 0.000 1.040 518 F HN 1.238 nan 8.300 nan 0.000 0.505 519 G N -0.324 108.702 108.800 0.377 0.000 2.722 519 G HA2 -0.237 3.723 3.960 0.000 0.000 0.686 519 G HA3 -0.237 3.723 3.960 0.000 0.000 0.686 519 G C 0.624 175.736 174.900 0.353 0.000 1.282 519 G CA -0.035 45.240 45.100 0.291 0.000 0.817 519 G HN 0.214 nan 8.290 nan 0.000 0.605 520 T N 0.834 115.511 114.554 0.206 0.000 2.867 520 T HA -0.035 4.316 4.350 0.000 0.000 0.268 520 T C 1.260 176.031 174.700 0.118 0.000 1.057 520 T CA 1.841 64.046 62.100 0.175 0.000 1.136 520 T CB -0.411 68.514 68.868 0.094 0.000 0.874 520 T HN 0.569 nan 8.240 nan 0.000 0.466 521 N N 1.974 120.693 118.700 0.031 0.000 2.458 521 N HA 0.226 4.966 4.740 0.000 0.000 0.270 521 N C -0.211 175.025 175.510 -0.455 0.000 1.102 521 N CA -0.288 52.683 53.050 -0.133 0.000 0.967 521 N CB 1.193 39.618 38.487 -0.103 0.000 1.078 521 N HN 0.204 nan 8.380 nan 0.000 0.471 522 T N 0.609 114.751 114.554 -0.686 0.000 2.902 522 T HA 0.241 4.591 4.350 0.000 0.000 0.301 522 T C 0.835 174.670 174.700 -1.442 0.000 1.012 522 T CA -0.436 60.717 62.100 -1.578 0.000 1.151 522 T CB 0.563 69.045 68.868 -0.644 0.000 0.946 522 T HN 0.524 nan 8.240 nan 0.000 0.542 523 G N 2.046 109.413 108.800 -2.388 0.000 3.310 523 G HA2 0.618 4.578 3.960 0.000 0.000 0.176 523 G HA3 0.618 4.578 3.960 0.000 0.000 0.176 523 G C -0.224 174.255 174.900 -0.703 0.000 1.307 523 G CA -0.071 44.387 45.100 -1.071 0.000 0.935 523 G HN 1.010 nan 8.290 nan 0.000 0.628 524 T N -1.525 112.971 114.554 -0.097 0.000 2.900 524 T HA 0.586 4.937 4.350 0.000 0.000 0.295 524 T C -1.484 173.399 174.700 0.306 0.000 1.044 524 T CA -0.462 61.713 62.100 0.126 0.000 0.995 524 T CB 1.727 70.616 68.868 0.034 0.000 1.072 524 T HN 0.469 nan 8.240 nan 0.000 0.473 525 V N 4.398 124.447 119.914 0.226 0.000 2.656 525 V HA 0.645 4.766 4.120 0.000 0.000 0.307 525 V C -0.552 175.610 176.094 0.114 0.000 1.051 525 V CA -0.890 61.483 62.300 0.123 0.000 0.893 525 V CB 2.073 33.927 31.823 0.052 0.000 0.999 525 V HN 0.901 nan 8.190 nan 0.000 0.426 526 K N 3.428 123.887 120.400 0.098 0.000 2.422 526 K HA 0.661 4.981 4.320 0.000 0.000 0.251 526 K C -1.768 174.922 176.600 0.151 0.000 0.933 526 K CA -0.557 55.813 56.287 0.138 0.000 0.798 526 K CB 2.498 35.055 32.500 0.095 0.000 1.238 526 K HN 0.421 nan 8.250 nan 0.000 0.428 527 F N 1.799 121.716 119.950 -0.056 0.000 2.311 527 F HA 0.296 4.824 4.527 0.000 0.000 0.371 527 F C 1.144 177.002 175.800 0.097 0.000 1.083 527 F CA -0.039 57.931 58.000 -0.050 0.000 1.113 527 F CB 0.876 39.720 39.000 -0.260 0.000 1.349 527 F HN 0.952 nan 8.300 nan 0.000 0.470 528 G N 2.433 111.425 108.800 0.320 0.000 2.687 528 G HA2 -0.369 3.591 3.960 0.000 0.000 0.303 528 G HA3 -0.369 3.591 3.960 0.000 0.000 0.303 528 G C 1.107 176.121 174.900 0.190 0.000 1.209 528 G CA 0.709 45.998 45.100 0.315 0.000 0.968 528 G HN 0.460 nan 8.290 nan 0.000 0.549 529 T N 1.392 116.059 114.554 0.188 0.000 3.001 529 T HA 0.382 4.733 4.350 0.000 0.000 0.251 529 T C 0.870 175.622 174.700 0.087 0.000 1.040 529 T CA 1.472 63.641 62.100 0.114 0.000 0.985 529 T CB -0.042 68.884 68.868 0.096 0.000 1.011 529 T HN 0.649 nan 8.240 nan 0.000 0.509 530 T N 2.740 117.345 114.554 0.085 0.000 2.817 530 T HA 0.652 5.002 4.350 0.000 0.000 0.293 530 T C 0.092 174.810 174.700 0.030 0.000 0.964 530 T CA -0.600 61.517 62.100 0.027 0.000 1.085 530 T CB 1.354 70.196 68.868 -0.043 0.000 0.921 530 T HN 0.249 nan 8.240 nan 0.000 0.502 531 A N 2.543 125.370 122.820 0.012 0.000 2.440 531 A HA 0.633 4.953 4.320 0.000 0.000 0.251 531 A C 0.516 178.085 177.584 -0.026 0.000 1.089 531 A CA -0.687 51.360 52.037 0.017 0.000 0.779 531 A CB -0.046 18.960 19.000 0.011 0.000 1.022 531 A HN 1.041 nan 8.150 nan 0.000 0.492 532 A N 3.301 126.118 122.820 -0.005 0.000 2.292 532 A HA 0.495 4.815 4.320 0.000 0.000 0.319 532 A C 0.171 177.736 177.584 -0.032 0.000 1.206 532 A CA -0.738 51.257 52.037 -0.070 0.000 0.835 532 A CB 0.101 19.085 19.000 -0.028 0.000 1.164 532 A HN 0.942 nan 8.150 nan 0.000 0.505 533 N N 0.587 119.247 118.700 -0.066 0.000 2.454 533 N HA 0.249 4.989 4.740 0.000 0.000 0.260 533 N C -0.114 175.393 175.510 -0.005 0.000 1.218 533 N CA 0.099 53.129 53.050 -0.033 0.000 0.904 533 N CB 1.075 39.531 38.487 -0.052 0.000 1.065 533 N HN 0.571 nan 8.380 nan 0.000 0.462 534 V N 1.958 121.897 119.914 0.042 0.000 2.612 534 V HA 0.282 4.402 4.120 0.000 0.000 0.301 534 V C 0.598 176.724 176.094 0.054 0.000 1.046 534 V CA -0.428 61.919 62.300 0.079 0.000 0.946 534 V CB 1.765 33.717 31.823 0.216 0.000 1.003 534 V HN 0.463 nan 8.190 nan 0.000 0.459 535 V N 3.346 123.282 119.914 0.038 0.000 3.431 535 V HA 0.336 4.456 4.120 0.000 0.000 0.253 535 V C 0.754 176.875 176.094 0.046 0.000 1.184 535 V CA 0.919 63.234 62.300 0.026 0.000 1.104 535 V CB -0.314 31.510 31.823 0.002 0.000 0.799 535 V HN 1.236 nan 8.190 nan 0.000 0.462 536 S N -0.984 114.759 115.700 0.072 0.000 2.579 536 S HA 0.423 4.894 4.470 0.000 0.000 0.290 536 S C -2.015 172.665 174.600 0.135 0.000 1.123 536 S CA -0.692 57.565 58.200 0.096 0.000 0.894 536 S CB 1.593 64.821 63.200 0.046 0.000 1.095 536 S HN 0.293 nan 8.310 nan 0.000 0.450 537 W N 2.805 124.095 121.300 -0.017 0.000 2.819 537 W HA 0.764 5.425 4.660 0.000 0.000 0.337 537 W C -1.170 175.365 176.519 0.027 0.000 1.077 537 W CA -0.459 56.880 57.345 -0.009 0.000 1.226 537 W CB 2.291 31.740 29.460 -0.018 0.000 1.419 537 W HN 0.987 nan 8.180 nan 0.000 0.502 538 S N 2.492 118.302 115.700 0.183 0.000 2.567 538 S HA 0.037 4.507 4.470 0.000 0.000 0.270 538 S C 0.506 175.239 174.600 0.222 0.000 1.152 538 S CA -0.789 57.542 58.200 0.219 0.000 0.835 538 S CB 1.804 65.076 63.200 0.120 0.000 1.115 538 S HN 0.642 nan 8.310 nan 0.000 0.459 539 N N 1.153 120.006 118.700 0.255 0.000 2.519 539 N HA -0.086 4.654 4.740 0.000 0.000 0.186 539 N C 0.656 176.193 175.510 0.046 0.000 1.062 539 N CA 1.174 54.360 53.050 0.226 0.000 0.910 539 N CB -0.041 38.531 38.487 0.141 0.000 0.958 539 N HN 0.605 nan 8.380 nan 0.000 0.445 540 N N -1.016 117.745 118.700 0.102 0.000 2.564 540 N HA 0.042 4.782 4.740 0.000 0.000 0.202 540 N C -0.109 175.541 175.510 0.234 0.000 1.052 540 N CA -0.022 53.032 53.050 0.008 0.000 0.872 540 N CB 0.937 39.437 38.487 0.021 0.000 1.303 540 N HN 0.148 nan 8.380 nan 0.000 0.440 541 Q N 0.926 120.867 119.800 0.235 0.000 2.340 541 Q HA 0.405 4.745 4.340 0.000 0.000 0.276 541 Q C -2.126 173.794 176.000 -0.133 0.000 1.048 541 Q CA -0.542 55.321 55.803 0.100 0.000 0.832 541 Q CB 2.481 31.239 28.738 0.034 0.000 1.373 541 Q HN 0.050 nan 8.270 nan 0.000 0.409 542 I N 3.375 123.758 120.570 -0.312 0.000 2.656 542 I HA 0.528 4.698 4.170 0.000 0.000 0.292 542 I C -1.909 174.048 176.117 -0.268 0.000 1.144 542 I CA -0.665 60.377 61.300 -0.431 0.000 1.038 542 I CB 1.902 39.314 38.000 -0.980 0.000 1.244 542 I HN 0.541 nan 8.210 nan 0.000 0.420 543 V N 7.922 127.744 119.914 -0.153 0.000 2.513 543 V HA 0.836 4.956 4.120 0.000 0.000 0.299 543 V C -1.557 174.496 176.094 -0.067 0.000 1.035 543 V CA -0.075 62.171 62.300 -0.091 0.000 0.889 543 V CB 1.805 33.599 31.823 -0.049 0.000 0.988 543 V HN 0.676 nan 8.190 nan 0.000 0.440 544 V N 4.981 124.858 119.914 -0.061 0.000 3.159 544 V HA 0.944 5.065 4.120 0.000 0.000 0.308 544 V C -0.021 176.039 176.094 -0.057 0.000 1.190 544 V CA -0.056 62.218 62.300 -0.043 0.000 1.037 544 V CB 2.495 34.297 31.823 -0.034 0.000 1.060 544 V HN 1.424 nan 8.190 nan 0.000 0.437 545 A N 2.543 125.309 122.820 -0.090 0.000 2.317 545 A HA 0.755 5.075 4.320 0.000 0.000 0.327 545 A C -0.560 176.851 177.584 -0.289 0.000 1.178 545 A CA -0.463 51.498 52.037 -0.126 0.000 0.817 545 A CB 1.311 20.258 19.000 -0.089 0.000 1.189 545 A HN 0.847 nan 8.150 nan 0.000 0.489 546 V N 4.923 124.609 119.914 -0.380 0.000 2.617 546 V HA 0.106 4.226 4.120 0.000 0.000 0.304 546 V C -1.474 174.243 176.094 -0.629 0.000 1.040 546 V CA -0.436 61.372 62.300 -0.820 0.000 1.149 546 V CB 0.301 31.795 31.823 -0.547 0.000 0.914 546 V HN 0.874 nan 8.190 nan 0.000 0.487 547 P HA 0.074 nan 4.420 nan 0.000 0.275 547 P C -0.495 176.584 177.300 -0.368 0.000 1.270 547 P CA -0.539 62.289 63.100 -0.452 0.000 0.791 547 P CB 0.450 31.900 31.700 -0.416 0.000 1.089 548 N N -0.139 118.416 118.700 -0.240 0.000 3.034 548 N HA 0.257 4.998 4.740 0.000 0.000 0.265 548 N C -0.450 174.962 175.510 -0.163 0.000 1.166 548 N CA -0.482 52.460 53.050 -0.180 0.000 1.081 548 N CB -0.822 37.594 38.487 -0.118 0.000 1.378 548 N HN 0.183 nan 8.380 nan 0.000 0.520 549 V N 0.364 120.146 119.914 -0.220 0.000 3.093 549 V HA 0.699 4.819 4.120 0.000 0.000 0.320 549 V C 0.576 176.637 176.094 -0.055 0.000 1.093 549 V CA -1.022 61.177 62.300 -0.169 0.000 1.016 549 V CB 1.079 32.644 31.823 -0.431 0.000 1.096 549 V HN 0.486 nan 8.190 nan 0.000 0.452 550 S N 1.674 117.427 115.700 0.087 0.000 2.585 550 S HA 0.523 4.993 4.470 0.000 0.000 0.273 550 S C -2.333 172.352 174.600 0.140 0.000 1.339 550 S CA -0.784 57.479 58.200 0.104 0.000 1.028 550 S CB 0.494 63.765 63.200 0.118 0.000 0.906 550 S HN 0.855 nan 8.310 nan 0.000 0.528 551 P HA 0.511 nan 4.420 nan 0.000 0.268 551 P C 0.555 177.678 177.300 -0.296 0.000 1.208 551 P CA 0.540 63.556 63.100 -0.139 0.000 0.777 551 P CB 0.169 31.794 31.700 -0.125 0.000 0.875 552 G N 0.442 108.837 108.800 -0.675 0.000 2.325 552 G HA2 0.132 4.092 3.960 0.000 0.000 0.285 552 G HA3 0.132 4.092 3.960 0.000 0.000 0.285 552 G C -1.770 173.007 174.900 -0.206 0.000 1.303 552 G CA -0.801 43.913 45.100 -0.644 0.000 0.970 552 G HN 0.390 nan 8.290 nan 0.000 0.490 553 K N -0.117 120.183 120.400 -0.166 0.000 2.159 553 K HA 0.702 5.022 4.320 0.000 0.000 0.266 553 K C -1.387 175.076 176.600 -0.229 0.000 0.975 553 K CA -0.359 55.913 56.287 -0.024 0.000 0.865 553 K CB 1.544 34.060 32.500 0.027 0.000 1.087 553 K HN 0.495 nan 8.250 nan 0.000 0.446 554 Y N 0.212 120.592 120.300 0.133 0.000 2.545 554 Y HA 0.324 4.874 4.550 0.000 0.000 0.348 554 Y C 0.284 176.219 175.900 0.058 0.000 1.002 554 Y CA -1.038 57.134 58.100 0.120 0.000 1.039 554 Y CB 1.732 40.322 38.460 0.215 0.000 1.271 554 Y HN 0.440 nan 8.280 nan 0.000 0.467 555 N N 1.608 120.415 118.700 0.179 0.000 2.487 555 N HA 0.557 5.297 4.740 0.000 0.000 0.292 555 N C -1.210 174.293 175.510 -0.013 0.000 1.108 555 N CA -0.390 52.704 53.050 0.073 0.000 0.956 555 N CB 1.422 39.942 38.487 0.055 0.000 1.176 555 N HN 0.510 nan 8.380 nan 0.000 0.484 556 I N 0.714 121.241 120.570 -0.072 0.000 2.436 556 I HA 0.330 4.500 4.170 0.000 0.000 0.289 556 I C -0.122 175.960 176.117 -0.058 0.000 1.010 556 I CA -0.447 60.739 61.300 -0.189 0.000 1.098 556 I CB 1.926 39.684 38.000 -0.403 0.000 1.266 556 I HN 0.206 nan 8.210 nan 0.000 0.434 557 T N 4.803 119.327 114.554 -0.050 0.000 2.908 557 T HA 0.649 4.999 4.350 0.000 0.000 0.290 557 T C -0.657 174.028 174.700 -0.025 0.000 1.034 557 T CA -0.617 61.480 62.100 -0.005 0.000 1.010 557 T CB 2.589 71.474 68.868 0.028 0.000 1.068 557 T HN 0.190 nan 8.240 nan 0.000 0.481 558 V N 2.213 122.130 119.914 0.005 0.000 2.577 558 V HA 0.533 4.653 4.120 0.000 0.000 0.303 558 V C -0.632 175.531 176.094 0.114 0.000 1.042 558 V CA -0.745 61.564 62.300 0.014 0.000 0.872 558 V CB 1.786 33.524 31.823 -0.141 0.000 0.998 558 V HN 0.880 nan 8.190 nan 0.000 0.423 559 Q N 3.508 123.410 119.800 0.170 0.000 2.327 559 Q HA 0.568 4.908 4.340 0.000 0.000 0.270 559 Q C -0.123 176.012 176.000 0.225 0.000 1.022 559 Q CA -0.414 55.486 55.803 0.161 0.000 0.773 559 Q CB 1.833 30.632 28.738 0.101 0.000 1.251 559 Q HN 0.893 nan 8.270 nan 0.000 0.457 560 S N 2.138 117.966 115.700 0.213 0.000 2.585 560 S HA 0.093 4.564 4.470 0.000 0.000 0.273 560 S C 0.978 175.611 174.600 0.054 0.000 1.339 560 S CA 0.042 58.365 58.200 0.206 0.000 1.028 560 S CB 1.303 64.627 63.200 0.206 0.000 0.906 560 S HN 0.793 nan 8.310 nan 0.000 0.528 561 S N 1.669 117.345 115.700 -0.040 0.000 2.493 561 S HA -0.097 4.374 4.470 0.000 0.000 0.243 561 S C 1.445 176.023 174.600 -0.036 0.000 0.991 561 S CA 1.009 59.155 58.200 -0.089 0.000 0.957 561 S CB -0.673 62.434 63.200 -0.156 0.000 0.756 561 S HN 0.661 nan 8.310 nan 0.000 0.521 562 S N 0.204 115.904 115.700 0.001 0.000 2.593 562 S HA 0.431 4.901 4.470 0.000 0.000 0.217 562 S C 1.615 176.225 174.600 0.017 0.000 0.966 562 S CA 0.438 58.644 58.200 0.010 0.000 0.914 562 S CB -0.056 63.159 63.200 0.025 0.000 0.776 562 S HN 0.940 nan 8.310 nan 0.000 0.523 563 G N 0.941 109.754 108.800 0.022 0.000 2.258 563 G HA2 -0.248 3.712 3.960 0.000 0.000 0.233 563 G HA3 -0.248 3.712 3.960 0.000 0.000 0.233 563 G C 0.018 174.943 174.900 0.041 0.000 1.006 563 G CA -0.226 44.890 45.100 0.026 0.000 0.620 563 G HN 0.504 nan 8.290 nan 0.000 0.511 564 Q N 0.732 120.563 119.800 0.051 0.000 2.386 564 Q HA 0.480 4.820 4.340 0.000 0.000 0.282 564 Q C -0.275 175.771 176.000 0.076 0.000 1.050 564 Q CA 1.150 56.988 55.803 0.058 0.000 0.918 564 Q CB 0.518 29.295 28.738 0.065 0.000 1.266 564 Q HN 0.220 nan 8.270 nan 0.000 0.423 565 T N 1.457 116.051 114.554 0.066 0.000 2.937 565 T HA 0.250 4.600 4.350 0.000 0.000 0.297 565 T C -0.578 174.160 174.700 0.064 0.000 0.991 565 T CA -0.691 61.451 62.100 0.071 0.000 0.990 565 T CB 1.159 70.059 68.868 0.053 0.000 0.991 565 T HN 0.692 nan 8.240 nan 0.000 0.440 566 S N 2.758 118.506 115.700 0.080 0.000 2.584 566 S HA 0.615 5.085 4.470 0.000 0.000 0.270 566 S C 0.779 175.410 174.600 0.051 0.000 1.346 566 S CA -0.704 57.540 58.200 0.074 0.000 1.018 566 S CB 0.546 63.816 63.200 0.117 0.000 0.899 566 S HN 0.939 nan 8.310 nan 0.000 0.542 567 A N 1.784 124.627 122.820 0.037 0.000 2.406 567 A HA 0.608 4.929 4.320 0.000 0.000 0.243 567 A C 0.831 178.445 177.584 0.050 0.000 1.082 567 A CA -0.126 51.929 52.037 0.030 0.000 0.786 567 A CB -0.652 18.356 19.000 0.014 0.000 1.029 567 A HN 1.610 nan 8.150 nan 0.000 0.495 568 A N -0.045 122.801 122.820 0.043 0.000 2.313 568 A HA 0.536 4.856 4.320 0.000 0.000 0.261 568 A C -0.679 176.960 177.584 0.093 0.000 1.090 568 A CA -0.093 51.979 52.037 0.059 0.000 0.807 568 A CB 0.159 19.182 19.000 0.038 0.000 1.055 568 A HN 1.083 nan 8.150 nan 0.000 0.492 569 Y N 0.854 121.134 120.300 -0.033 0.000 2.328 569 Y HA 0.405 4.955 4.550 0.000 0.000 0.333 569 Y C -0.926 174.957 175.900 -0.028 0.000 0.958 569 Y CA -1.057 57.026 58.100 -0.030 0.000 1.167 569 Y CB 1.148 39.579 38.460 -0.049 0.000 1.151 569 Y HN 0.692 nan 8.280 nan 0.000 0.470 570 D N 4.783 125.149 120.400 -0.057 0.000 2.283 570 D HA 0.226 4.866 4.640 0.000 0.000 0.248 570 D C -0.225 176.107 176.300 0.053 0.000 1.072 570 D CA 0.229 54.224 54.000 -0.008 0.000 0.929 570 D CB 0.577 41.331 40.800 -0.076 0.000 1.182 570 D HN 0.665 nan 8.370 nan 0.000 0.433 571 N N 0.364 119.109 118.700 0.076 0.000 2.861 571 N HA -0.232 4.508 4.740 0.000 0.000 0.247 571 N C -0.583 175.000 175.510 0.121 0.000 1.117 571 N CA 0.109 53.206 53.050 0.078 0.000 0.703 571 N CB -1.827 36.675 38.487 0.026 0.000 1.052 571 N HN 0.376 nan 8.380 nan 0.000 0.555 572 F N 2.298 122.294 119.950 0.078 0.000 2.495 572 F HA 0.160 4.687 4.527 0.000 0.000 0.365 572 F C 0.959 176.857 175.800 0.162 0.000 1.090 572 F CA 0.026 58.078 58.000 0.088 0.000 1.235 572 F CB 0.591 39.586 39.000 -0.007 0.000 1.119 572 F HN 0.054 nan 8.300 nan 0.000 0.562 573 E N 5.663 125.563 120.200 -0.499 0.000 2.151 573 E HA 0.440 4.791 4.350 0.000 0.000 0.275 573 E C -1.640 174.883 176.600 -0.128 0.000 0.936 573 E CA -0.828 55.473 56.400 -0.166 0.000 0.777 573 E CB 1.346 30.990 29.700 -0.094 0.000 1.108 573 E HN 0.495 nan 8.360 nan 0.000 0.401 574 V N 6.266 126.241 119.914 0.103 0.000 2.350 574 V HA 0.280 4.400 4.120 0.000 0.000 0.276 574 V C 0.236 176.289 176.094 -0.067 0.000 1.028 574 V CA -0.680 61.687 62.300 0.112 0.000 0.860 574 V CB 0.730 32.639 31.823 0.143 0.000 0.990 574 V HN 0.653 nan 8.190 nan 0.000 0.453 575 L N 3.869 125.081 121.223 -0.018 0.000 2.334 575 L HA 0.311 4.651 4.340 0.000 0.000 0.277 575 L C 1.761 178.631 176.870 0.000 0.000 1.075 575 L CA -0.307 54.539 54.840 0.010 0.000 0.804 575 L CB 1.493 43.581 42.059 0.049 0.000 1.174 575 L HN 0.683 nan 8.230 nan 0.000 0.438 576 T N 1.076 115.656 114.554 0.043 0.000 2.699 576 T HA -0.152 4.198 4.350 0.000 0.000 0.268 576 T C 0.765 175.477 174.700 0.020 0.000 1.036 576 T CA 1.421 63.546 62.100 0.041 0.000 1.147 576 T CB -0.224 68.700 68.868 0.092 0.000 0.862 576 T HN 0.693 nan 8.240 nan 0.000 0.446 577 N N -0.739 117.978 118.700 0.029 0.000 3.465 577 N HA 0.023 4.764 4.740 0.000 0.000 0.244 577 N C -2.299 173.229 175.510 0.030 0.000 1.454 577 N CA -0.517 52.543 53.050 0.016 0.000 0.865 577 N CB 0.930 39.435 38.487 0.031 0.000 1.439 577 N HN -0.119 nan 8.380 nan 0.000 0.480 578 D N 1.586 122.004 120.400 0.031 0.000 2.648 578 D HA -0.017 4.623 4.640 0.000 0.000 0.229 578 D C -0.069 176.260 176.300 0.049 0.000 1.119 578 D CA 0.958 54.985 54.000 0.045 0.000 0.850 578 D CB 0.480 41.308 40.800 0.047 0.000 1.169 578 D HN 0.147 nan 8.370 nan 0.000 0.489 579 Q N 0.893 120.718 119.800 0.041 0.000 2.230 579 Q HA 0.566 4.906 4.340 0.000 0.000 0.248 579 Q C -0.229 175.796 176.000 0.041 0.000 0.915 579 Q CA -0.787 55.041 55.803 0.041 0.000 0.900 579 Q CB 1.833 30.580 28.738 0.016 0.000 1.229 579 Q HN 0.286 nan 8.270 nan 0.000 0.439 580 V N -1.879 118.078 119.914 0.073 0.000 3.078 580 V HA 0.589 4.709 4.120 0.000 0.000 0.311 580 V C -0.348 175.830 176.094 0.140 0.000 1.138 580 V CA -1.085 61.276 62.300 0.101 0.000 1.007 580 V CB 1.968 33.862 31.823 0.117 0.000 1.045 580 V HN 0.681 nan 8.190 nan 0.000 0.432 581 S N 1.216 117.033 115.700 0.194 0.000 2.422 581 S HA 0.690 5.160 4.470 0.000 0.000 0.298 581 S C -0.583 174.168 174.600 0.252 0.000 1.118 581 S CA -0.347 58.014 58.200 0.268 0.000 1.083 581 S CB 0.483 63.941 63.200 0.430 0.000 0.971 581 S HN 0.731 nan 8.310 nan 0.000 0.478 582 V N 5.823 125.881 119.914 0.240 0.000 2.459 582 V HA 0.525 4.645 4.120 0.000 0.000 0.295 582 V C 0.124 176.307 176.094 0.149 0.000 1.029 582 V CA -1.056 61.321 62.300 0.128 0.000 0.874 582 V CB 1.599 33.420 31.823 -0.003 0.000 0.985 582 V HN 0.810 nan 8.190 nan 0.000 0.438 583 R N 3.639 124.165 120.500 0.043 0.000 2.235 583 R HA 0.412 4.753 4.340 0.000 0.000 0.338 583 R C -1.301 174.969 176.300 -0.051 0.000 1.087 583 R CA -0.089 56.090 56.100 0.132 0.000 0.948 583 R CB -0.044 30.360 30.300 0.173 0.000 1.099 583 R HN 0.494 nan 8.270 nan 0.000 0.483 584 F N 4.425 124.422 119.950 0.079 0.000 2.404 584 F HA 0.317 4.844 4.527 0.000 0.000 0.358 584 F C -0.121 175.764 175.800 0.142 0.000 1.120 584 F CA -0.380 57.652 58.000 0.054 0.000 1.144 584 F CB 1.349 40.371 39.000 0.037 0.000 1.133 584 F HN 0.124 nan 8.300 nan 0.000 0.495 585 V N 4.999 125.012 119.914 0.166 0.000 2.495 585 V HA 0.549 4.670 4.120 0.000 0.000 0.298 585 V C -0.760 175.265 176.094 -0.115 0.000 1.031 585 V CA -0.944 61.339 62.300 -0.029 0.000 0.871 585 V CB 1.990 33.614 31.823 -0.333 0.000 0.988 585 V HN 0.450 nan 8.190 nan 0.000 0.432 586 V N 5.142 124.899 119.914 -0.262 0.000 2.531 586 V HA 0.593 4.713 4.120 0.000 0.000 0.301 586 V C -0.628 175.371 176.094 -0.158 0.000 1.034 586 V CA -0.490 61.571 62.300 -0.398 0.000 0.865 586 V CB 1.981 33.117 31.823 -1.145 0.000 0.995 586 V HN 0.949 nan 8.190 nan 0.000 0.424 587 N N 4.688 123.335 118.700 -0.088 0.000 2.492 587 N HA 0.413 5.153 4.740 0.000 0.000 0.289 587 N C 0.063 175.588 175.510 0.025 0.000 1.133 587 N CA -0.319 52.713 53.050 -0.030 0.000 0.961 587 N CB 1.000 39.471 38.487 -0.025 0.000 1.186 587 N HN 0.736 nan 8.380 nan 0.000 0.493 588 N N -0.544 118.145 118.700 -0.018 0.000 2.740 588 N HA -0.184 4.556 4.740 0.000 0.000 0.248 588 N C -1.050 174.413 175.510 -0.079 0.000 1.062 588 N CA 0.547 53.574 53.050 -0.038 0.000 0.704 588 N CB -1.026 37.482 38.487 0.036 0.000 0.968 588 N HN 0.678 nan 8.380 nan 0.000 0.547 589 A N 0.394 123.136 122.820 -0.130 0.000 2.880 589 A HA 0.447 4.767 4.320 0.000 0.000 0.328 589 A C 0.934 178.362 177.584 -0.259 0.000 1.440 589 A CA -0.067 51.756 52.037 -0.355 0.000 1.068 589 A CB -0.032 18.739 19.000 -0.381 0.000 1.163 589 A HN 0.296 nan 8.150 nan 0.000 0.510 590 T N 0.001 114.369 114.554 -0.310 0.000 2.868 590 T HA 0.625 4.976 4.350 0.000 0.000 0.292 590 T C 0.397 175.099 174.700 0.003 0.000 1.028 590 T CA 0.286 62.326 62.100 -0.100 0.000 1.059 590 T CB 1.199 70.030 68.868 -0.061 0.000 0.991 590 T HN 1.018 nan 8.240 nan 0.000 0.531 591 T N -0.843 113.874 114.554 0.271 0.000 2.812 591 T HA 0.504 4.854 4.350 0.000 0.000 0.294 591 T C -0.399 174.370 174.700 0.115 0.000 1.159 591 T CA -1.086 61.107 62.100 0.154 0.000 1.008 591 T CB 1.477 70.513 68.868 0.279 0.000 1.289 591 T HN 0.696 nan 8.240 nan 0.000 0.514 592 N N -0.746 117.987 118.700 0.055 0.000 2.645 592 N HA 0.482 5.222 4.740 0.000 0.000 0.308 592 N C 1.449 176.976 175.510 0.029 0.000 1.335 592 N CA -0.534 52.537 53.050 0.035 0.000 0.909 592 N CB 0.695 39.194 38.487 0.019 0.000 1.109 592 N HN 0.743 nan 8.380 nan 0.000 0.555 593 L N -0.659 120.575 121.223 0.018 0.000 2.258 593 L HA -0.179 4.161 4.340 0.000 0.000 0.249 593 L C 1.759 178.639 176.870 0.017 0.000 1.084 593 L CA 1.994 56.841 54.840 0.012 0.000 0.851 593 L CB -1.375 40.691 42.059 0.012 0.000 0.940 593 L HN 0.582 nan 8.230 nan 0.000 0.425 594 G N -1.690 107.124 108.800 0.023 0.000 2.712 594 G HA2 0.001 3.961 3.960 0.000 0.000 0.212 594 G HA3 0.001 3.961 3.960 0.000 0.000 0.212 594 G C 0.720 175.653 174.900 0.054 0.000 1.142 594 G CA -0.077 45.043 45.100 0.033 0.000 0.789 594 G HN 0.539 nan 8.290 nan 0.000 0.535 595 Q N 0.415 120.243 119.800 0.047 0.000 2.368 595 Q HA 0.025 4.365 4.340 0.000 0.000 0.331 595 Q C -0.630 175.413 176.000 0.072 0.000 1.086 595 Q CA 0.678 56.508 55.803 0.044 0.000 1.031 595 Q CB 0.090 28.838 28.738 0.017 0.000 1.125 595 Q HN 0.471 nan 8.270 nan 0.000 0.389 596 N N 2.285 121.005 118.700 0.033 0.000 2.416 596 N HA 0.450 5.190 4.740 0.000 0.000 0.276 596 N C -1.371 173.958 175.510 -0.302 0.000 1.261 596 N CA -0.779 52.209 53.050 -0.104 0.000 0.790 596 N CB 1.151 39.627 38.487 -0.019 0.000 1.554 596 N HN 0.327 nan 8.380 nan 0.000 0.481 597 I N 1.558 121.607 120.570 -0.869 0.000 2.440 597 I HA 0.372 4.542 4.170 0.000 0.000 0.294 597 I C -0.556 175.255 176.117 -0.510 0.000 0.995 597 I CA -0.157 60.727 61.300 -0.694 0.000 1.306 597 I CB -0.034 37.261 38.000 -1.175 0.000 1.407 597 I HN 0.533 nan 8.210 nan 0.000 0.501 598 Y N 4.535 124.755 120.300 -0.134 0.000 2.638 598 Y HA 0.628 5.178 4.550 0.000 0.000 0.339 598 Y C -0.303 175.624 175.900 0.044 0.000 1.084 598 Y CA -0.927 57.125 58.100 -0.079 0.000 1.068 598 Y CB 2.118 40.489 38.460 -0.147 0.000 1.294 598 Y HN 0.419 nan 8.280 nan 0.000 0.480 599 I N 1.057 121.674 120.570 0.080 0.000 2.545 599 I HA 0.781 4.952 4.170 0.000 0.000 0.292 599 I C -1.859 174.130 176.117 -0.212 0.000 1.040 599 I CA -0.739 60.450 61.300 -0.186 0.000 1.068 599 I CB 1.508 39.258 38.000 -0.418 0.000 1.251 599 I HN 0.437 nan 8.210 nan 0.000 0.424 600 V N 6.497 126.274 119.914 -0.229 0.000 2.888 600 V HA 0.990 5.110 4.120 0.000 0.000 0.309 600 V C -0.259 175.597 176.094 -0.397 0.000 1.114 600 V CA 0.186 62.353 62.300 -0.221 0.000 0.940 600 V CB 1.902 33.690 31.823 -0.059 0.000 1.021 600 V HN 0.973 nan 8.190 nan 0.000 0.426 601 G N 2.783 111.085 108.800 -0.830 0.000 2.663 601 G HA2 0.256 4.216 3.960 0.000 0.000 0.299 601 G HA3 0.256 4.216 3.960 0.000 0.000 0.299 601 G C 0.075 173.941 174.900 -1.724 0.000 1.372 601 G CA -0.097 44.139 45.100 -1.439 0.000 0.781 601 G HN 0.956 nan 8.290 nan 0.000 0.491 602 N N -1.368 116.605 118.700 -1.211 0.000 2.575 602 N HA 0.101 4.841 4.740 0.000 0.000 0.192 602 N C 0.140 175.536 175.510 -0.189 0.000 1.200 602 N CA -0.042 52.717 53.050 -0.485 0.000 0.897 602 N CB 0.677 39.315 38.487 0.250 0.000 0.990 602 N HN 0.253 nan 8.380 nan 0.000 0.449 603 V N 0.302 120.085 119.914 -0.218 0.000 2.960 603 V HA 0.119 4.240 4.120 0.000 0.000 0.315 603 V C 0.330 176.400 176.094 -0.039 0.000 1.087 603 V CA -0.970 61.306 62.300 -0.039 0.000 0.982 603 V CB 1.523 33.353 31.823 0.012 0.000 1.039 603 V HN 0.186 nan 8.190 nan 0.000 0.437 604 Y N 2.115 122.391 120.300 -0.039 0.000 2.207 604 Y HA -0.217 4.333 4.550 0.000 0.000 0.287 604 Y C 1.875 177.760 175.900 -0.025 0.000 1.156 604 Y CA 2.557 60.645 58.100 -0.021 0.000 1.182 604 Y CB 0.199 38.669 38.460 0.018 0.000 0.979 604 Y HN 0.830 nan 8.280 nan 0.000 0.521 605 E N -0.276 119.855 120.200 -0.114 0.000 2.268 605 E HA -0.063 4.288 4.350 0.000 0.000 0.195 605 E C 0.970 177.439 176.600 -0.218 0.000 0.995 605 E CA 0.734 57.041 56.400 -0.155 0.000 0.836 605 E CB -0.147 29.569 29.700 0.027 0.000 0.763 605 E HN 0.313 nan 8.360 nan 0.000 0.491 606 L N -0.891 120.188 121.223 -0.241 0.000 2.872 606 L HA 0.368 4.708 4.340 0.000 0.000 0.245 606 L C 1.182 177.866 176.870 -0.310 0.000 1.211 606 L CA 0.618 55.279 54.840 -0.298 0.000 1.013 606 L CB 0.115 41.960 42.059 -0.358 0.000 1.326 606 L HN 0.222 nan 8.230 nan 0.000 0.525 607 G N 0.291 108.913 108.800 -0.298 0.000 2.179 607 G HA2 -0.390 3.570 3.960 0.000 0.000 0.260 607 G HA3 -0.390 3.570 3.960 0.000 0.000 0.260 607 G C 0.793 175.608 174.900 -0.142 0.000 0.977 607 G CA 0.290 45.255 45.100 -0.225 0.000 0.641 607 G HN 0.487 nan 8.290 nan 0.000 0.533 608 N N -1.905 116.676 118.700 -0.198 0.000 2.740 608 N HA -0.229 4.512 4.740 0.000 0.000 0.248 608 N C 0.753 176.317 175.510 0.091 0.000 1.062 608 N CA 0.999 53.991 53.050 -0.097 0.000 0.704 608 N CB -1.333 37.191 38.487 0.061 0.000 0.968 608 N HN 1.084 nan 8.380 nan 0.000 0.547 609 W N -2.697 118.656 121.300 0.088 0.000 3.520 609 W HA -0.253 4.408 4.660 0.000 0.000 0.305 609 W C 0.274 176.889 176.519 0.160 0.000 1.150 609 W CA 0.367 57.807 57.345 0.158 0.000 0.656 609 W CB -1.286 28.256 29.460 0.136 0.000 2.198 609 W HN 0.340 nan 8.180 nan 0.000 1.417 610 D N 0.568 121.101 120.400 0.222 0.000 2.359 610 D HA 0.209 4.849 4.640 0.000 0.000 0.230 610 D C 1.461 177.798 176.300 0.062 0.000 1.118 610 D CA 0.722 54.811 54.000 0.148 0.000 0.844 610 D CB 1.122 41.971 40.800 0.082 0.000 1.059 610 D HN 0.069 nan 8.370 nan 0.000 0.493 611 T N 0.487 115.076 114.554 0.058 0.000 2.897 611 T HA -0.138 4.212 4.350 0.000 0.000 0.271 611 T C 1.736 176.345 174.700 -0.151 0.000 1.084 611 T CA 0.912 62.945 62.100 -0.112 0.000 1.123 611 T CB -0.074 68.685 68.868 -0.181 0.000 0.865 611 T HN 0.180 nan 8.240 nan 0.000 0.496 612 S N 1.297 116.951 115.700 -0.077 0.000 2.481 612 S HA 0.096 4.566 4.470 0.000 0.000 0.231 612 S C 1.345 175.893 174.600 -0.087 0.000 0.996 612 S CA 0.613 58.761 58.200 -0.087 0.000 0.942 612 S CB -0.114 63.061 63.200 -0.040 0.000 0.768 612 S HN 0.620 nan 8.310 nan 0.000 0.520 613 K N 0.979 121.332 120.400 -0.078 0.000 2.618 613 K HA 0.397 4.717 4.320 0.000 0.000 0.207 613 K C -0.083 176.455 176.600 -0.103 0.000 1.058 613 K CA -0.264 55.976 56.287 -0.078 0.000 1.086 613 K CB 1.018 33.473 32.500 -0.076 0.000 0.827 613 K HN 0.187 nan 8.250 nan 0.000 0.481 614 A N 0.869 123.616 122.820 -0.123 0.000 2.445 614 A HA 0.271 4.591 4.320 0.000 0.000 0.242 614 A C -0.153 177.431 177.584 -0.001 0.000 1.075 614 A CA -0.212 51.765 52.037 -0.099 0.000 0.777 614 A CB -0.007 18.891 19.000 -0.171 0.000 1.013 614 A HN 0.235 nan 8.150 nan 0.000 0.493 615 I N 1.804 122.361 120.570 -0.022 0.000 2.325 615 I HA 0.589 4.759 4.170 0.000 0.000 0.291 615 I C 0.935 177.023 176.117 -0.048 0.000 1.019 615 I CA 1.488 62.756 61.300 -0.054 0.000 1.302 615 I CB 0.829 38.760 38.000 -0.115 0.000 1.401 615 I HN 1.010 nan 8.210 nan 0.000 0.485 616 G N 6.586 115.287 108.800 -0.165 0.000 2.345 616 G HA2 0.239 4.199 3.960 0.000 0.000 0.285 616 G HA3 0.239 4.199 3.960 0.000 0.000 0.285 616 G C -3.138 171.450 174.900 -0.519 0.000 1.297 616 G CA -0.894 43.894 45.100 -0.521 0.000 0.875 616 G HN 0.391 nan 8.290 nan 0.000 0.506 617 P HA 0.340 nan 4.420 nan 0.000 0.269 617 P C 0.013 176.928 177.300 -0.642 0.000 1.215 617 P CA 0.080 62.642 63.100 -0.897 0.000 0.780 617 P CB 0.407 31.823 31.700 -0.474 0.000 0.898 618 M N 0.813 120.141 119.600 -0.452 0.000 2.283 618 M HA 0.316 4.796 4.480 0.000 0.000 0.314 618 M C 0.179 176.386 176.300 -0.156 0.000 1.153 618 M CA -0.313 54.808 55.300 -0.297 0.000 1.084 618 M CB 0.183 32.758 32.600 -0.040 0.000 1.468 618 M HN 0.135 nan 8.290 nan 0.000 0.474 619 F N 1.222 121.076 119.950 -0.159 0.000 2.371 619 F HA 0.272 4.799 4.527 0.000 0.000 0.329 619 F C 1.012 176.606 175.800 -0.343 0.000 1.107 619 F CA -0.715 57.049 58.000 -0.394 0.000 1.137 619 F CB 0.332 38.810 39.000 -0.869 0.000 1.214 619 F HN 0.654 nan 8.300 nan 0.000 0.536 620 N N -0.307 118.343 118.700 -0.084 0.000 2.261 620 N HA 0.057 4.797 4.740 0.000 0.000 0.241 620 N C 0.046 175.523 175.510 -0.055 0.000 1.374 620 N CA -0.140 52.779 53.050 -0.219 0.000 0.802 620 N CB 0.387 38.226 38.487 -1.081 0.000 1.339 620 N HN 0.744 nan 8.380 nan 0.000 0.498 621 Q N -0.310 119.530 119.800 0.068 0.000 2.619 621 Q HA 0.197 4.537 4.340 0.000 0.000 0.230 621 Q C 1.179 177.200 176.000 0.036 0.000 0.871 621 Q CA 0.171 55.986 55.803 0.020 0.000 0.934 621 Q CB 0.192 28.910 28.738 -0.033 0.000 1.183 621 Q HN 0.057 nan 8.270 nan 0.000 0.631 622 V N 1.801 121.753 119.914 0.062 0.000 2.278 622 V HA -0.139 3.981 4.120 0.000 0.000 0.231 622 V C 2.415 178.371 176.094 -0.229 0.000 1.048 622 V CA 1.386 63.651 62.300 -0.058 0.000 1.015 622 V CB -0.603 31.194 31.823 -0.042 0.000 0.652 622 V HN 0.191 nan 8.190 nan 0.000 0.466 623 V N -1.332 118.275 119.914 -0.511 0.000 2.324 623 V HA -0.191 3.929 4.120 0.000 0.000 0.250 623 V C 0.753 176.309 176.094 -0.897 0.000 1.060 623 V CA 1.748 63.503 62.300 -0.908 0.000 1.042 623 V CB -0.847 30.177 31.823 -1.333 0.000 0.650 623 V HN 0.537 nan 8.190 nan 0.000 0.450 624 Y N -1.214 118.774 120.300 -0.520 0.000 2.581 624 Y HA 0.610 5.161 4.550 0.000 0.000 0.345 624 Y C 0.075 175.949 175.900 -0.044 0.000 1.036 624 Y CA -0.845 57.123 58.100 -0.221 0.000 1.042 624 Y CB 1.929 40.287 38.460 -0.170 0.000 1.289 624 Y HN -0.031 nan 8.280 nan 0.000 0.471 625 S N 0.079 115.849 115.700 0.117 0.000 2.536 625 S HA 0.447 4.917 4.470 0.000 0.000 0.298 625 S C -1.184 173.426 174.600 0.016 0.000 1.083 625 S CA -0.911 57.319 58.200 0.051 0.000 0.995 625 S CB 1.278 64.489 63.200 0.019 0.000 1.058 625 S HN 0.607 nan 8.310 nan 0.000 0.488 626 Y N 3.086 123.256 120.300 -0.216 0.000 2.903 626 Y HA 0.174 4.725 4.550 0.000 0.000 0.338 626 Y C -1.884 173.951 175.900 -0.109 0.000 1.265 626 Y CA -0.788 57.133 58.100 -0.298 0.000 1.532 626 Y CB 0.245 38.449 38.460 -0.426 0.000 1.293 626 Y HN 0.550 nan 8.280 nan 0.000 0.609 627 P HA 0.042 nan 4.420 nan 0.000 0.252 627 P C -0.757 176.404 177.300 -0.232 0.000 1.265 627 P CA 0.650 63.212 63.100 -0.898 0.000 0.775 627 P CB 0.128 31.393 31.700 -0.724 0.000 1.128 628 T N 0.568 115.050 114.554 -0.121 0.000 2.767 628 T HA 0.319 4.670 4.350 0.000 0.000 0.288 628 T C -0.797 173.965 174.700 0.104 0.000 0.963 628 T CA -0.238 61.881 62.100 0.032 0.000 1.019 628 T CB 0.399 69.251 68.868 -0.028 0.000 0.923 628 T HN -0.025 nan 8.240 nan 0.000 0.468 629 W N 3.559 124.834 121.300 -0.042 0.000 2.706 629 W HA 0.666 5.326 4.660 0.000 0.000 0.346 629 W C -0.631 175.928 176.519 0.066 0.000 1.071 629 W CA -1.251 56.112 57.345 0.030 0.000 1.206 629 W CB 0.609 30.027 29.460 -0.071 0.000 1.413 629 W HN 0.680 nan 8.180 nan 0.000 0.542 630 Y N 0.291 120.747 120.300 0.261 0.000 2.597 630 Y HA 0.858 5.408 4.550 0.000 0.000 0.340 630 Y C -1.634 174.445 175.900 0.297 0.000 1.097 630 Y CA -2.504 55.734 58.100 0.231 0.000 1.037 630 Y CB 1.588 40.214 38.460 0.277 0.000 1.305 630 Y HN 0.548 nan 8.280 nan 0.000 0.463 631 I N 1.899 122.670 120.570 0.335 0.000 2.785 631 I HA 0.300 4.470 4.170 0.000 0.000 0.293 631 I C -2.015 174.357 176.117 0.424 0.000 1.446 631 I CA -0.586 60.879 61.300 0.274 0.000 1.028 631 I CB 2.123 40.157 38.000 0.056 0.000 1.349 631 I HN 0.786 nan 8.210 nan 0.000 0.438 632 D N 6.389 127.075 120.400 0.476 0.000 2.359 632 D HA 0.436 5.077 4.640 0.000 0.000 0.230 632 D C -0.649 175.904 176.300 0.422 0.000 1.118 632 D CA 0.138 54.422 54.000 0.474 0.000 0.844 632 D CB 1.942 43.074 40.800 0.554 0.000 1.059 632 D HN 0.116 nan 8.370 nan 0.000 0.493 633 V N 1.555 121.705 119.914 0.392 0.000 2.581 633 V HA 0.328 4.448 4.120 0.000 0.000 0.303 633 V C 0.451 176.716 176.094 0.285 0.000 1.041 633 V CA -0.796 61.697 62.300 0.322 0.000 0.907 633 V CB 2.074 34.031 31.823 0.224 0.000 0.994 633 V HN 0.440 nan 8.190 nan 0.000 0.442 634 S N 3.000 118.838 115.700 0.231 0.000 2.523 634 S HA 0.665 5.135 4.470 0.000 0.000 0.275 634 S C -0.660 174.027 174.600 0.145 0.000 1.281 634 S CA -0.186 58.106 58.200 0.152 0.000 1.050 634 S CB 0.761 64.006 63.200 0.075 0.000 0.937 634 S HN 0.594 nan 8.310 nan 0.000 0.492 635 V N 6.293 126.293 119.914 0.144 0.000 3.216 635 V HA 0.588 4.708 4.120 0.000 0.000 0.302 635 V C -2.458 173.710 176.094 0.124 0.000 1.286 635 V CA -2.002 60.383 62.300 0.141 0.000 1.048 635 V CB 2.819 34.765 31.823 0.205 0.000 1.081 635 V HN 0.767 nan 8.190 nan 0.000 0.442 636 P HA 0.167 nan 4.420 nan 0.000 0.268 636 P C -0.812 176.542 177.300 0.089 0.000 1.204 636 P CA 0.076 63.231 63.100 0.092 0.000 0.768 636 P CB 0.339 32.091 31.700 0.087 0.000 0.842 637 E N 1.344 121.587 120.200 0.071 0.000 2.345 637 E HA 0.309 4.659 4.350 0.000 0.000 0.259 637 E C 0.539 177.162 176.600 0.038 0.000 1.117 637 E CA -0.787 55.649 56.400 0.059 0.000 0.913 637 E CB -0.184 29.549 29.700 0.055 0.000 1.057 637 E HN 0.617 nan 8.360 nan 0.000 0.432 638 G N 1.535 110.346 108.800 0.019 0.000 2.412 638 G HA2 -0.319 3.641 3.960 0.000 0.000 0.297 638 G HA3 -0.319 3.641 3.960 0.000 0.000 0.297 638 G C -0.401 174.502 174.900 0.006 0.000 0.965 638 G CA 1.108 46.209 45.100 0.002 0.000 1.134 638 G HN 0.442 nan 8.290 nan 0.000 0.511 639 K N -0.302 120.100 120.400 0.003 0.000 2.427 639 K HA 0.528 4.848 4.320 0.000 0.000 0.252 639 K C -0.141 176.470 176.600 0.018 0.000 0.931 639 K CA -0.553 55.750 56.287 0.026 0.000 0.793 639 K CB 1.533 34.068 32.500 0.058 0.000 1.211 639 K HN 0.036 nan 8.250 nan 0.000 0.426 640 T N 4.278 118.855 114.554 0.038 0.000 2.728 640 T HA 0.388 4.738 4.350 0.000 0.000 0.296 640 T C -0.060 174.718 174.700 0.130 0.000 0.940 640 T CA -0.455 61.681 62.100 0.061 0.000 1.013 640 T CB -0.254 68.644 68.868 0.049 0.000 0.912 640 T HN 0.477 nan 8.240 nan 0.000 0.484 641 I N 0.422 121.117 120.570 0.209 0.000 2.693 641 I HA 0.755 4.926 4.170 0.000 0.000 0.303 641 I C -0.511 175.849 176.117 0.405 0.000 1.025 641 I CA -1.043 60.428 61.300 0.285 0.000 1.086 641 I CB 2.261 40.449 38.000 0.312 0.000 1.268 641 I HN 0.365 nan 8.210 nan 0.000 0.440 642 E N 4.088 124.509 120.200 0.369 0.000 2.210 642 E HA 0.628 4.978 4.350 0.000 0.000 0.266 642 E C -1.652 175.180 176.600 0.387 0.000 0.883 642 E CA -0.583 56.054 56.400 0.396 0.000 0.761 642 E CB 2.370 32.327 29.700 0.428 0.000 1.156 642 E HN 0.564 nan 8.360 nan 0.000 0.412 643 F N 0.039 120.136 119.950 0.245 0.000 2.686 643 F HA 0.679 5.206 4.527 0.000 0.000 0.311 643 F C -1.238 174.710 175.800 0.247 0.000 1.128 643 F CA -1.108 56.919 58.000 0.045 0.000 0.946 643 F CB 1.345 40.186 39.000 -0.264 0.000 1.336 643 F HN 0.121 nan 8.300 nan 0.000 0.457 644 K N 0.813 121.360 120.400 0.245 0.000 2.512 644 K HA 0.674 4.994 4.320 0.000 0.000 0.263 644 K C -2.002 174.573 176.600 -0.042 0.000 0.966 644 K CA -0.752 55.639 56.287 0.173 0.000 0.851 644 K CB 2.555 35.300 32.500 0.408 0.000 1.395 644 K HN 0.566 nan 8.250 nan 0.000 0.440 645 F N 2.577 122.631 119.950 0.173 0.000 2.432 645 F HA 0.579 5.106 4.527 0.000 0.000 0.329 645 F C 0.376 176.270 175.800 0.156 0.000 1.076 645 F CA -0.839 57.271 58.000 0.184 0.000 1.018 645 F CB 1.167 40.360 39.000 0.321 0.000 1.201 645 F HN 0.295 nan 8.300 nan 0.000 0.489 646 I N -0.877 119.909 120.570 0.359 0.000 2.802 646 I HA 0.542 4.712 4.170 0.000 0.000 0.298 646 I C -1.736 174.470 176.117 0.149 0.000 1.176 646 I CA -1.106 60.285 61.300 0.153 0.000 1.025 646 I CB 2.580 40.343 38.000 -0.395 0.000 1.243 646 I HN 0.483 nan 8.210 nan 0.000 0.424 647 K N 4.589 125.035 120.400 0.078 0.000 2.213 647 K HA 0.526 4.846 4.320 0.000 0.000 0.270 647 K C -0.961 175.615 176.600 -0.040 0.000 1.002 647 K CA -0.718 55.546 56.287 -0.038 0.000 0.868 647 K CB 2.051 34.487 32.500 -0.107 0.000 1.093 647 K HN 0.489 nan 8.250 nan 0.000 0.454 648 K N 2.146 122.549 120.400 0.004 0.000 2.345 648 K HA 0.188 4.508 4.320 0.000 0.000 0.255 648 K C -0.946 175.656 176.600 0.004 0.000 0.934 648 K CA -0.650 55.592 56.287 -0.075 0.000 0.801 648 K CB 1.478 33.781 32.500 -0.328 0.000 1.137 648 K HN 0.475 nan 8.250 nan 0.000 0.424 649 D N -0.122 120.263 120.400 -0.025 0.000 2.380 649 D HA -0.027 4.613 4.640 0.000 0.000 0.254 649 D C 1.128 177.430 176.300 0.004 0.000 1.288 649 D CA 0.430 54.428 54.000 -0.004 0.000 1.008 649 D CB 0.769 41.562 40.800 -0.010 0.000 1.099 649 D HN 0.498 nan 8.370 nan 0.000 0.537 650 S N -0.832 114.873 115.700 0.009 0.000 2.414 650 S HA -0.105 4.365 4.470 0.000 0.000 0.227 650 S C 0.989 175.588 174.600 -0.001 0.000 1.022 650 S CA 0.683 58.890 58.200 0.012 0.000 0.958 650 S CB -0.016 63.192 63.200 0.012 0.000 0.797 650 S HN 0.452 nan 8.310 nan 0.000 0.493 651 Q N 0.526 120.321 119.800 -0.008 0.000 2.263 651 Q HA 0.446 4.786 4.340 0.000 0.000 0.337 651 Q C 0.776 176.761 176.000 -0.024 0.000 0.906 651 Q CA 0.104 55.899 55.803 -0.013 0.000 1.124 651 Q CB 0.675 29.410 28.738 -0.006 0.000 1.255 651 Q HN 0.690 nan 8.270 nan 0.000 0.435 652 G N 0.876 109.650 108.800 -0.043 0.000 2.358 652 G HA2 -0.305 3.655 3.960 0.000 0.000 0.224 652 G HA3 -0.305 3.655 3.960 0.000 0.000 0.224 652 G C 0.202 175.061 174.900 -0.069 0.000 1.073 652 G CA -0.245 44.818 45.100 -0.063 0.000 0.635 652 G HN 0.522 nan 8.290 nan 0.000 0.509 653 N N 0.251 118.927 118.700 -0.041 0.000 2.151 653 N HA 0.238 4.978 4.740 0.000 0.000 0.265 653 N C -0.456 175.018 175.510 -0.059 0.000 1.254 653 N CA 0.986 54.019 53.050 -0.028 0.000 0.823 653 N CB 0.668 39.151 38.487 -0.008 0.000 1.061 653 N HN 0.285 nan 8.380 nan 0.000 0.472 654 V N 2.048 121.937 119.914 -0.041 0.000 2.577 654 V HA 0.293 4.413 4.120 0.000 0.000 0.303 654 V C -0.183 175.902 176.094 -0.015 0.000 1.042 654 V CA -0.545 61.697 62.300 -0.097 0.000 0.872 654 V CB 2.114 33.848 31.823 -0.147 0.000 0.998 654 V HN 0.604 nan 8.190 nan 0.000 0.423 655 T N 4.524 119.063 114.554 -0.025 0.000 2.833 655 T HA 0.412 4.762 4.350 0.000 0.000 0.297 655 T C -0.690 174.109 174.700 0.165 0.000 1.015 655 T CA -0.266 61.908 62.100 0.124 0.000 0.963 655 T CB 0.454 69.406 68.868 0.140 0.000 0.955 655 T HN 0.521 nan 8.240 nan 0.000 0.449 656 W N 1.926 123.326 121.300 0.167 0.000 2.183 656 W HA 0.382 5.042 4.660 0.000 0.000 0.348 656 W C 1.009 177.570 176.519 0.071 0.000 1.257 656 W CA -0.752 56.665 57.345 0.119 0.000 1.324 656 W CB 0.369 29.835 29.460 0.010 0.000 1.144 656 W HN 0.549 nan 8.180 nan 0.000 0.622 657 E N 0.278 120.505 120.200 0.045 0.000 2.383 657 E HA 0.058 4.408 4.350 0.000 0.000 0.264 657 E C -0.250 176.268 176.600 -0.137 0.000 1.050 657 E CA 0.178 56.231 56.400 -0.577 0.000 0.896 657 E CB 0.651 29.892 29.700 -0.765 0.000 0.982 657 E HN 0.185 nan 8.360 nan 0.000 0.424 658 S N 1.633 117.248 115.700 -0.141 0.000 2.694 658 S HA 0.369 4.839 4.470 0.000 0.000 0.211 658 S C -0.025 174.511 174.600 -0.107 0.000 1.328 658 S CA -0.235 57.928 58.200 -0.061 0.000 1.236 658 S CB 0.400 63.613 63.200 0.021 0.000 1.121 658 S HN 0.625 nan 8.310 nan 0.000 0.517 659 G N 0.902 109.605 108.800 -0.162 0.000 2.933 659 G HA2 0.518 4.479 3.960 0.000 0.000 0.203 659 G HA3 0.518 4.479 3.960 0.000 0.000 0.203 659 G C -0.400 174.377 174.900 -0.205 0.000 1.170 659 G CA -0.218 44.781 45.100 -0.168 0.000 0.880 659 G HN 0.437 nan 8.290 nan 0.000 0.573 660 S N -0.159 115.412 115.700 -0.215 0.000 2.645 660 S HA 0.418 4.888 4.470 0.000 0.000 0.266 660 S C 0.059 174.488 174.600 -0.285 0.000 1.258 660 S CA -0.510 57.558 58.200 -0.220 0.000 0.990 660 S CB 0.814 63.912 63.200 -0.170 0.000 0.967 660 S HN 0.435 nan 8.310 nan 0.000 0.556 661 N N 1.715 120.277 118.700 -0.230 0.000 2.453 661 N HA 0.172 4.912 4.740 0.000 0.000 0.253 661 N C -0.408 174.930 175.510 -0.286 0.000 1.252 661 N CA 0.135 53.065 53.050 -0.200 0.000 0.917 661 N CB -0.066 38.402 38.487 -0.030 0.000 1.117 661 N HN 0.625 nan 8.380 nan 0.000 0.442 662 H N 0.141 119.002 119.070 -0.349 0.000 2.548 662 H HA 0.298 4.854 4.556 0.000 0.000 0.331 662 H C -0.234 174.855 175.328 -0.398 0.000 1.093 662 H CA -0.218 55.525 56.048 -0.509 0.000 1.367 662 H CB 0.954 30.161 29.762 -0.924 0.000 1.455 662 H HN 0.071 nan 8.280 nan 0.000 0.519 663 V N 4.173 124.137 119.914 0.084 0.000 2.815 663 V HA 0.318 4.438 4.120 0.000 0.000 0.314 663 V C -0.953 175.437 176.094 0.494 0.000 1.064 663 V CA -0.742 61.718 62.300 0.266 0.000 0.952 663 V CB 1.972 33.892 31.823 0.162 0.000 1.020 663 V HN 0.773 nan 8.190 nan 0.000 0.439 664 Y N 1.059 121.566 120.300 0.345 0.000 2.393 664 Y HA 0.370 4.920 4.550 0.000 0.000 0.320 664 Y C -0.558 175.462 175.900 0.199 0.000 1.241 664 Y CA -0.497 57.771 58.100 0.279 0.000 1.122 664 Y CB 1.569 40.234 38.460 0.341 0.000 1.322 664 Y HN 0.585 nan 8.280 nan 0.000 0.441 665 T N 4.756 118.991 114.554 -0.531 0.000 2.811 665 T HA 0.273 4.623 4.350 0.000 0.000 0.309 665 T C 0.129 174.319 174.700 -0.850 0.000 1.005 665 T CA -0.059 61.766 62.100 -0.459 0.000 0.955 665 T CB -0.048 68.686 68.868 -0.224 0.000 0.970 665 T HN 0.726 nan 8.240 nan 0.000 0.496 666 T N 3.520 117.771 114.554 -0.506 0.000 2.940 666 T HA 0.211 4.562 4.350 0.000 0.000 0.309 666 T C -2.134 172.491 174.700 -0.125 0.000 1.056 666 T CA -1.387 60.576 62.100 -0.229 0.000 1.137 666 T CB 0.173 69.108 68.868 0.111 0.000 0.976 666 T HN 0.211 nan 8.240 nan 0.000 0.547 667 P HA 0.216 nan 4.420 nan 0.000 0.274 667 P C -0.305 177.020 177.300 0.042 0.000 1.260 667 P CA -0.295 62.822 63.100 0.028 0.000 0.793 667 P CB 0.359 32.112 31.700 0.089 0.000 1.048 668 T N 0.861 115.441 114.554 0.042 0.000 2.791 668 T HA 0.261 4.612 4.350 0.000 0.000 0.288 668 T C 0.393 175.127 174.700 0.057 0.000 0.999 668 T CA -0.403 61.724 62.100 0.045 0.000 0.952 668 T CB -1.042 67.845 68.868 0.032 0.000 0.938 668 T HN 0.534 nan 8.240 nan 0.000 0.444 669 N N 2.380 121.118 118.700 0.063 0.000 2.741 669 N HA -0.149 4.591 4.740 0.000 0.000 0.250 669 N C -0.369 175.191 175.510 0.083 0.000 1.115 669 N CA 1.692 54.783 53.050 0.068 0.000 0.724 669 N CB -1.120 37.403 38.487 0.059 0.000 1.090 669 N HN 0.903 nan 8.380 nan 0.000 0.558 670 T N -2.250 112.362 114.554 0.097 0.000 2.677 670 T HA 0.406 4.757 4.350 0.000 0.000 0.305 670 T C -0.613 174.172 174.700 0.141 0.000 1.569 670 T CA 0.246 62.417 62.100 0.119 0.000 0.984 670 T CB 1.000 69.928 68.868 0.100 0.000 1.629 670 T HN 0.180 nan 8.240 nan 0.000 0.494 671 T N -0.247 114.403 114.554 0.160 0.000 2.902 671 T HA 0.794 5.145 4.350 0.000 0.000 0.280 671 T C 0.475 175.266 174.700 0.152 0.000 0.992 671 T CA -0.174 62.032 62.100 0.177 0.000 1.015 671 T CB 1.207 70.200 68.868 0.209 0.000 1.044 671 T HN 1.028 nan 8.240 nan 0.000 0.520 672 G N -0.101 108.790 108.800 0.151 0.000 2.642 672 G HA2 0.618 4.578 3.960 0.000 0.000 0.293 672 G HA3 0.618 4.578 3.960 0.000 0.000 0.293 672 G C -1.714 173.200 174.900 0.023 0.000 1.341 672 G CA -0.962 44.223 45.100 0.140 0.000 0.916 672 G HN 0.815 nan 8.290 nan 0.000 0.474 673 K N 0.514 120.895 120.400 -0.031 0.000 2.482 673 K HA 0.634 4.954 4.320 0.000 0.000 0.251 673 K C -1.965 174.479 176.600 -0.259 0.000 0.936 673 K CA -0.743 55.471 56.287 -0.121 0.000 0.791 673 K CB 2.452 34.955 32.500 0.005 0.000 1.213 673 K HN 0.452 nan 8.250 nan 0.000 0.428 674 I N 5.503 125.809 120.570 -0.440 0.000 2.569 674 I HA 0.452 4.623 4.170 0.000 0.000 0.290 674 I C -1.535 174.466 176.117 -0.193 0.000 1.088 674 I CA -0.832 60.210 61.300 -0.430 0.000 1.047 674 I CB 1.449 38.921 38.000 -0.880 0.000 1.237 674 I HN 0.616 nan 8.210 nan 0.000 0.421 675 I N 7.947 128.472 120.570 -0.075 0.000 2.498 675 I HA 0.586 4.756 4.170 0.000 0.000 0.290 675 I C -0.587 175.540 176.117 0.017 0.000 1.032 675 I CA -0.693 60.578 61.300 -0.048 0.000 1.073 675 I CB 1.917 39.868 38.000 -0.082 0.000 1.251 675 I HN 0.378 nan 8.210 nan 0.000 0.426 676 V N 1.150 121.074 119.914 0.017 0.000 3.103 676 V HA 0.687 4.807 4.120 0.000 0.000 0.311 676 V C -1.468 174.640 176.094 0.023 0.000 1.322 676 V CA -0.736 61.581 62.300 0.027 0.000 1.063 676 V CB 2.261 34.033 31.823 -0.086 0.000 1.090 676 V HN 0.488 nan 8.190 nan 0.000 0.462 677 D N 0.875 121.340 120.400 0.108 0.000 2.252 677 D HA 0.300 4.940 4.640 0.000 0.000 0.245 677 D C -0.845 175.590 176.300 0.226 0.000 1.009 677 D CA -0.117 53.967 54.000 0.139 0.000 0.870 677 D CB 1.615 42.494 40.800 0.131 0.000 1.251 677 D HN 0.812 nan 8.370 nan 0.000 0.460 678 W N 3.022 124.354 121.300 0.053 0.000 2.381 678 W HA 0.061 4.722 4.660 0.000 0.000 0.321 678 W C -0.717 175.881 176.519 0.132 0.000 1.407 678 W CA -0.098 57.306 57.345 0.099 0.000 1.274 678 W CB 0.267 29.734 29.460 0.011 0.000 1.310 678 W HN 0.345 nan 8.180 nan 0.000 0.551 679 Q N 5.602 125.231 119.800 -0.286 0.000 2.337 679 Q HA 0.067 4.407 4.340 0.000 0.000 0.255 679 Q C -0.128 175.725 176.000 -0.245 0.000 0.997 679 Q CA -0.150 55.545 55.803 -0.180 0.000 0.925 679 Q CB 0.678 29.304 28.738 -0.187 0.000 1.212 679 Q HN 0.464 nan 8.270 nan 0.000 0.436 680 N N 0.000 118.746 118.700 0.076 0.000 1.763 680 N HA 0.000 4.740 4.740 0.000 0.000 0.220 680 N CA 0.000 53.179 53.050 0.215 0.000 0.885 680 N CB 0.000 38.643 38.487 0.260 0.000 1.341 680 N HN 0.000 nan 8.380 nan 0.000 0.667