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 3acp_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTKTITVAHI QYDFKAVLEE NDENDDEFYI NVDKNLNEIK EHKIVVLGNS DATA SEQUENCE RGVDAGKGNT FEKVGSHLYK ARLDGHDFLF NTIIRDGSKM LKRADYTAVD DATA SEQUENCE TAKLQMRRFI LGTTEGDIKV LDSNFNLQRE IDQAHVSEIT KLKFFPSGEA DATA SEQUENCE LISSSQDMQL KIWSVKDGSN PRTLIGHRAT VTDIAIIDRG RNVLSASLDG DATA SEQUENCE TIRLWECGTG TTIHTFNRKE NPHDGVNSIA LFVGTDRQLH EISTSKKNNL DATA SEQUENCE EFGTYGKYVI AGHVSGVITV HNVFSKEQTI QLPSKFTCSC NSLTVDGNNA DATA SEQUENCE NYIYAGYENG MLAQWDLRSP ECPVGEFLIN EGTPINNVYF AAGALFVSSG DATA SEQUENCE FDTSIKLDII SDPESERPAI EFETPTFLVS NDDEVSQFCY VSDDESNGEV DATA SEQUENCE LEVGKNNFCA LYNLSNP 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.068 176.300 -0.387 0.000 1.140 1 M CA 0.000 54.900 55.300 -0.667 0.000 0.988 1 M CB 0.000 32.328 32.600 -0.454 0.000 1.302 2 T N 4.918 119.287 114.554 -0.309 0.000 2.743 2 T HA 0.386 4.735 4.350 -0.000 0.000 0.290 2 T C -0.526 174.002 174.700 -0.287 0.000 0.908 2 T CA -0.025 61.878 62.100 -0.328 0.000 1.092 2 T CB -0.151 68.603 68.868 -0.190 0.000 0.882 2 T HN 0.559 nan 8.240 nan 0.000 0.531 3 K N 1.726 121.887 120.400 -0.399 0.000 2.328 3 K HA 0.612 4.932 4.320 -0.000 0.000 0.246 3 K C 0.106 176.649 176.600 -0.096 0.000 0.955 3 K CA -0.940 55.191 56.287 -0.261 0.000 0.817 3 K CB 1.728 33.916 32.500 -0.522 0.000 1.208 3 K HN 0.450 nan 8.250 nan 0.000 0.432 4 T N 0.501 115.083 114.554 0.048 0.000 2.794 4 T HA 0.482 4.832 4.350 -0.000 0.000 0.280 4 T C -0.235 174.594 174.700 0.216 0.000 0.987 4 T CA -0.759 61.408 62.100 0.111 0.000 0.993 4 T CB 0.159 69.074 68.868 0.079 0.000 0.939 4 T HN 0.427 nan 8.240 nan 0.000 0.449 5 I N 4.887 125.586 120.570 0.215 0.000 2.291 5 I HA 0.180 4.350 4.170 -0.000 0.000 0.292 5 I C 0.771 177.006 176.117 0.197 0.000 1.064 5 I CA -0.438 60.998 61.300 0.228 0.000 1.269 5 I CB 1.005 39.109 38.000 0.174 0.000 1.418 5 I HN 0.667 nan 8.210 nan 0.000 0.485 6 T N 6.194 120.870 114.554 0.204 0.000 2.799 6 T HA 0.193 4.543 4.350 -0.000 0.000 0.296 6 T C 0.174 175.083 174.700 0.348 0.000 0.947 6 T CA -0.299 61.914 62.100 0.189 0.000 1.141 6 T CB 0.637 69.521 68.868 0.026 0.000 0.891 6 T HN 0.171 nan 8.240 nan 0.000 0.533 7 V N 3.159 123.141 119.914 0.113 0.000 2.439 7 V HA 0.686 4.806 4.120 -0.000 0.000 0.282 7 V C 0.378 176.092 176.094 -0.633 0.000 1.039 7 V CA -0.858 61.347 62.300 -0.158 0.000 0.913 7 V CB 1.168 32.916 31.823 -0.125 0.000 0.983 7 V HN 1.054 nan 8.190 nan 0.000 0.460 8 A N 4.407 126.393 122.820 -1.389 0.000 2.355 8 A HA 0.794 5.114 4.320 -0.000 0.000 0.324 8 A C -0.637 176.267 177.584 -1.133 0.000 1.117 8 A CA -0.620 50.689 52.037 -1.214 0.000 0.785 8 A CB 0.916 19.000 19.000 -1.526 0.000 1.254 8 A HN 0.904 nan 8.150 nan 0.000 0.453 9 H N 1.860 120.744 119.070 -0.311 0.000 2.539 9 H HA 0.400 4.956 4.556 -0.000 0.000 0.332 9 H C -0.987 174.304 175.328 -0.062 0.000 1.031 9 H CA -0.222 55.754 56.048 -0.121 0.000 1.206 9 H CB 1.728 31.471 29.762 -0.031 0.000 1.446 9 H HN 0.651 nan 8.280 nan 0.000 0.496 10 I N 2.028 122.535 120.570 -0.105 0.000 2.499 10 I HA 0.073 4.243 4.170 -0.000 0.000 0.296 10 I C 0.606 176.572 176.117 -0.251 0.000 0.992 10 I CA -0.581 60.471 61.300 -0.414 0.000 1.297 10 I CB 1.369 38.676 38.000 -1.155 0.000 1.410 10 I HN 0.528 nan 8.210 nan 0.000 0.507 11 Q N 5.098 124.538 119.800 -0.601 0.000 2.263 11 Q HA -0.127 4.213 4.340 -0.000 0.000 0.289 11 Q C 0.182 176.079 176.000 -0.172 0.000 1.061 11 Q CA 0.304 55.699 55.803 -0.679 0.000 0.927 11 Q CB 0.539 28.653 28.738 -1.041 0.000 1.154 11 Q HN 0.722 nan 8.270 nan 0.000 0.378 12 Y N 3.450 123.717 120.300 -0.055 0.000 2.333 12 Y HA -0.137 4.413 4.550 -0.000 0.000 0.290 12 Y C 0.906 176.817 175.900 0.018 0.000 1.144 12 Y CA 1.611 59.741 58.100 0.050 0.000 1.228 12 Y CB 0.065 38.558 38.460 0.055 0.000 0.985 12 Y HN 0.677 nan 8.280 nan 0.000 0.542 13 D N 0.335 120.235 120.400 -0.833 0.000 2.388 13 D HA -0.070 4.570 4.640 -0.000 0.000 0.221 13 D C 1.410 177.360 176.300 -0.583 0.000 1.133 13 D CA -0.317 53.207 54.000 -0.793 0.000 0.831 13 D CB -1.382 38.826 40.800 -0.987 0.000 0.962 13 D HN 0.532 nan 8.370 nan 0.000 0.502 14 F N 1.170 120.727 119.950 -0.655 0.000 2.250 14 F HA -0.005 4.522 4.527 0.000 0.000 0.301 14 F C 1.946 177.287 175.800 -0.765 0.000 1.077 14 F CA 0.662 58.109 58.000 -0.922 0.000 1.348 14 F CB -0.379 37.701 39.000 -1.533 0.000 1.040 14 F HN -0.139 nan 8.300 nan 0.000 0.509 15 K N 0.921 120.319 120.400 -1.670 0.000 2.026 15 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 15 K C 2.401 178.660 176.600 -0.569 0.000 1.048 15 K CA 1.197 56.769 56.287 -1.192 0.000 0.929 15 K CB -0.543 31.366 32.500 -0.986 0.000 0.713 15 K HN 0.372 nan 8.250 nan 0.000 0.439 16 A N 0.533 123.073 122.820 -0.468 0.000 1.978 16 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 16 A C 2.165 179.614 177.584 -0.224 0.000 1.170 16 A CA 1.574 53.440 52.037 -0.284 0.000 0.636 16 A CB -0.515 18.334 19.000 -0.252 0.000 0.810 16 A HN 0.169 nan 8.150 nan 0.000 0.448 17 V N -0.093 119.664 119.914 -0.260 0.000 2.307 17 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 17 V C 2.511 178.554 176.094 -0.085 0.000 1.045 17 V CA 1.832 64.050 62.300 -0.137 0.000 1.024 17 V CB -0.783 30.995 31.823 -0.074 0.000 0.651 17 V HN 0.572 nan 8.190 nan 0.000 0.449 18 L N 0.604 121.747 121.223 -0.134 0.000 2.083 18 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 18 L C 2.392 179.251 176.870 -0.017 0.000 1.083 18 L CA 1.880 56.703 54.840 -0.028 0.000 0.752 18 L CB -0.432 41.618 42.059 -0.016 0.000 0.899 18 L HN 0.590 nan 8.230 nan 0.000 0.433 19 E N -0.929 119.230 120.200 -0.069 0.000 2.501 19 E HA -0.085 4.265 4.350 -0.000 0.000 0.201 19 E C 1.415 177.988 176.600 -0.045 0.000 1.016 19 E CA 0.006 56.379 56.400 -0.044 0.000 0.920 19 E CB 0.240 29.907 29.700 -0.054 0.000 1.023 19 E HN 0.282 nan 8.360 nan 0.000 0.474 20 E N 2.574 122.743 120.200 -0.051 0.000 2.058 20 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 20 E C 0.658 177.244 176.600 -0.022 0.000 0.997 20 E CA 1.662 58.037 56.400 -0.041 0.000 0.801 20 E CB -0.179 29.496 29.700 -0.041 0.000 0.746 20 E HN 0.289 nan 8.360 nan 0.000 0.450 21 N N 0.625 119.319 118.700 -0.010 0.000 2.754 21 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 21 N C -1.336 174.173 175.510 -0.002 0.000 1.093 21 N CA 1.020 54.069 53.050 -0.001 0.000 0.699 21 N CB -1.549 36.937 38.487 -0.001 0.000 1.016 21 N HN 0.466 nan 8.380 nan 0.000 0.552 22 D N -0.186 120.212 120.400 -0.003 0.000 2.368 22 D HA 0.007 4.647 4.640 -0.000 0.000 0.240 22 D C 1.065 177.366 176.300 0.001 0.000 1.169 22 D CA 0.018 54.017 54.000 -0.003 0.000 0.906 22 D CB 0.907 41.704 40.800 -0.005 0.000 1.187 22 D HN 0.336 nan 8.370 nan 0.000 0.435 23 E N 1.288 121.489 120.200 0.001 0.000 2.107 23 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 23 E C 0.125 176.727 176.600 0.003 0.000 0.982 23 E CA 0.827 57.228 56.400 0.002 0.000 0.809 23 E CB 0.178 29.878 29.700 0.001 0.000 0.756 23 E HN 0.370 nan 8.360 nan 0.000 0.459 24 N N 1.454 120.154 118.700 0.001 0.000 2.493 24 N HA 0.045 4.785 4.740 -0.000 0.000 0.275 24 N C -0.770 174.741 175.510 0.001 0.000 1.186 24 N CA -0.333 52.717 53.050 0.000 0.000 0.978 24 N CB 0.588 39.074 38.487 -0.001 0.000 1.184 24 N HN 0.018 nan 8.380 nan 0.000 0.487 25 D N 0.595 120.995 120.400 -0.001 0.000 2.455 25 D HA 0.103 4.743 4.640 -0.000 0.000 0.241 25 D C -0.144 176.154 176.300 -0.004 0.000 1.138 25 D CA 0.782 54.780 54.000 -0.003 0.000 0.877 25 D CB 0.644 41.439 40.800 -0.007 0.000 1.187 25 D HN 0.335 nan 8.370 nan 0.000 0.451 26 D N 0.267 120.665 120.400 -0.002 0.000 2.687 26 D HA 0.489 5.129 4.640 -0.000 0.000 0.264 26 D C -1.085 175.208 176.300 -0.012 0.000 1.091 26 D CA -0.516 53.484 54.000 0.001 0.000 1.123 26 D CB 1.546 42.352 40.800 0.011 0.000 1.407 26 D HN 0.396 nan 8.370 nan 0.000 0.591 27 E N 0.185 120.384 120.200 -0.002 0.000 2.363 27 E HA 0.411 4.761 4.350 -0.000 0.000 0.281 27 E C -1.676 174.934 176.600 0.016 0.000 0.953 27 E CA -0.642 55.723 56.400 -0.057 0.000 0.778 27 E CB 1.201 30.866 29.700 -0.058 0.000 1.220 27 E HN 0.323 nan 8.360 nan 0.000 0.431 28 F N 1.286 121.150 119.950 -0.144 0.000 2.620 28 F HA 0.695 5.222 4.527 0.000 0.000 0.320 28 F C -1.351 174.339 175.800 -0.184 0.000 1.069 28 F CA -1.150 56.721 58.000 -0.215 0.000 0.953 28 F CB 0.756 39.576 39.000 -0.300 0.000 1.322 28 F HN 0.399 nan 8.300 nan 0.000 0.479 29 Y N 0.406 120.751 120.300 0.074 0.000 2.457 29 Y HA 0.848 5.399 4.550 0.000 0.000 0.333 29 Y C -1.204 174.699 175.900 0.006 0.000 1.119 29 Y CA -1.746 56.340 58.100 -0.024 0.000 1.143 29 Y CB 1.363 39.823 38.460 -0.001 0.000 1.230 29 Y HN 0.609 nan 8.280 nan 0.000 0.469 30 I N 3.237 123.941 120.570 0.224 0.000 2.439 30 I HA 0.270 4.440 4.170 -0.000 0.000 0.285 30 I C -1.277 174.978 176.117 0.231 0.000 1.021 30 I CA -0.680 60.715 61.300 0.158 0.000 1.091 30 I CB 1.554 39.563 38.000 0.015 0.000 1.242 30 I HN 0.726 nan 8.210 nan 0.000 0.439 31 N N 5.284 124.120 118.700 0.227 0.000 2.419 31 N HA 0.385 5.125 4.740 -0.000 0.000 0.264 31 N C -0.921 174.628 175.510 0.066 0.000 1.031 31 N CA -0.466 52.662 53.050 0.129 0.000 0.951 31 N CB 1.966 40.491 38.487 0.064 0.000 1.101 31 N HN 0.204 nan 8.380 nan 0.000 0.488 32 V N 2.558 122.522 119.914 0.084 0.000 2.370 32 V HA 0.167 4.287 4.120 -0.000 0.000 0.283 32 V C -0.283 175.844 176.094 0.054 0.000 1.023 32 V CA -0.775 61.534 62.300 0.016 0.000 0.857 32 V CB 1.215 33.129 31.823 0.151 0.000 0.985 32 V HN 0.631 nan 8.190 nan 0.000 0.443 33 D N 4.458 124.877 120.400 0.031 0.000 2.304 33 D HA 0.304 4.944 4.640 -0.000 0.000 0.250 33 D C 0.088 176.415 176.300 0.045 0.000 1.107 33 D CA 0.005 54.039 54.000 0.057 0.000 0.885 33 D CB 1.512 42.363 40.800 0.085 0.000 1.192 33 D HN 0.366 nan 8.370 nan 0.000 0.436 34 K N 2.268 122.696 120.400 0.048 0.000 2.753 34 K HA 0.078 4.397 4.320 -0.000 0.000 0.185 34 K C -0.335 176.290 176.600 0.041 0.000 1.071 34 K CA -0.357 55.958 56.287 0.047 0.000 0.999 34 K CB 0.202 32.736 32.500 0.058 0.000 1.244 34 K HN 0.544 nan 8.250 nan 0.000 0.594 35 N N 2.950 121.675 118.700 0.040 0.000 2.667 35 N HA -0.235 4.505 4.740 -0.000 0.000 0.263 35 N C -0.208 175.321 175.510 0.032 0.000 1.038 35 N CA 0.734 53.805 53.050 0.036 0.000 0.749 35 N CB -0.656 37.851 38.487 0.033 0.000 0.892 35 N HN 0.705 nan 8.380 nan 0.000 0.546 36 L N 0.342 121.585 121.223 0.033 0.000 3.533 36 L HA -0.263 4.077 4.340 -0.000 0.000 0.477 36 L C -0.902 175.990 176.870 0.036 0.000 1.306 36 L CA 1.433 56.297 54.840 0.041 0.000 0.850 36 L CB -1.611 40.477 42.059 0.047 0.000 1.654 36 L HN 0.601 nan 8.230 nan 0.000 0.863 37 N N 1.286 120.003 118.700 0.030 0.000 2.645 37 N HA 0.498 5.238 4.740 -0.000 0.000 0.233 37 N C -0.207 175.312 175.510 0.017 0.000 1.058 37 N CA -0.198 52.866 53.050 0.023 0.000 0.942 37 N CB 1.100 39.599 38.487 0.021 0.000 1.210 37 N HN 0.753 nan 8.380 nan 0.000 0.512 38 E N 0.621 120.831 120.200 0.017 0.000 2.343 38 E HA 0.553 4.903 4.350 -0.000 0.000 0.257 38 E C -0.924 175.684 176.600 0.014 0.000 1.079 38 E CA -0.819 55.586 56.400 0.010 0.000 0.891 38 E CB 2.125 31.832 29.700 0.011 0.000 1.732 38 E HN 0.565 nan 8.360 nan 0.000 0.465 39 I N -2.276 118.299 120.570 0.009 0.000 2.961 39 I HA 0.427 4.597 4.170 -0.000 0.000 0.303 39 I C -2.067 174.057 176.117 0.011 0.000 1.505 39 I CA -0.905 60.406 61.300 0.017 0.000 0.964 39 I CB 2.138 40.142 38.000 0.006 0.000 1.348 39 I HN 0.296 nan 8.210 nan 0.000 0.508 40 K N 2.586 123.006 120.400 0.035 0.000 2.244 40 K HA 0.509 4.829 4.320 -0.000 0.000 0.260 40 K C -1.105 175.495 176.600 0.000 0.000 0.951 40 K CA -0.594 55.691 56.287 -0.003 0.000 0.826 40 K CB 2.339 34.850 32.500 0.020 0.000 1.108 40 K HN 0.654 nan 8.250 nan 0.000 0.433 41 E N 3.103 123.260 120.200 -0.071 0.000 2.081 41 E HA 0.115 4.465 4.350 -0.000 0.000 0.276 41 E C -1.145 175.399 176.600 -0.094 0.000 0.950 41 E CA -0.687 55.691 56.400 -0.037 0.000 0.776 41 E CB 0.575 30.235 29.700 -0.066 0.000 1.094 41 E HN 0.520 nan 8.360 nan 0.000 0.402 42 H N 3.076 122.168 119.070 0.038 0.000 2.527 42 H HA 0.270 4.826 4.556 -0.000 0.000 0.321 42 H C -0.592 174.721 175.328 -0.025 0.000 1.087 42 H CA -0.306 55.754 56.048 0.020 0.000 1.337 42 H CB 1.032 30.826 29.762 0.053 0.000 1.440 42 H HN 0.234 nan 8.280 nan 0.000 0.490 43 K N 3.818 124.233 120.400 0.026 0.000 2.265 43 K HA 0.324 4.644 4.320 -0.000 0.000 0.267 43 K C -0.690 175.793 176.600 -0.196 0.000 0.994 43 K CA -0.585 55.654 56.287 -0.079 0.000 0.860 43 K CB 1.486 33.951 32.500 -0.058 0.000 1.099 43 K HN 0.415 nan 8.250 nan 0.000 0.448 44 I N 4.434 124.716 120.570 -0.480 0.000 2.312 44 I HA 0.099 4.269 4.170 -0.000 0.000 0.290 44 I C 0.313 176.081 176.117 -0.582 0.000 1.008 44 I CA -0.850 60.049 61.300 -0.669 0.000 1.226 44 I CB 1.079 38.233 38.000 -1.409 0.000 1.371 44 I HN 0.348 nan 8.210 nan 0.000 0.468 45 V N 6.476 126.212 119.914 -0.297 0.000 2.498 45 V HA 0.430 4.550 4.120 -0.000 0.000 0.279 45 V C -0.028 175.990 176.094 -0.127 0.000 1.048 45 V CA -0.372 61.823 62.300 -0.175 0.000 0.967 45 V CB 1.516 33.286 31.823 -0.089 0.000 0.988 45 V HN 0.375 nan 8.190 nan 0.000 0.473 46 V N 7.408 127.283 119.914 -0.065 0.000 2.304 46 V HA 0.325 4.445 4.120 -0.000 0.000 0.269 46 V C 0.457 176.559 176.094 0.013 0.000 1.036 46 V CA -0.437 61.870 62.300 0.012 0.000 0.840 46 V CB 0.747 32.616 31.823 0.076 0.000 1.036 46 V HN 0.847 nan 8.190 nan 0.000 0.466 47 L N 4.167 125.401 121.223 0.017 0.000 2.490 47 L HA 0.275 4.615 4.340 -0.000 0.000 0.274 47 L C 1.382 178.264 176.870 0.020 0.000 1.201 47 L CA 0.368 55.217 54.840 0.015 0.000 0.869 47 L CB 0.320 42.391 42.059 0.021 0.000 1.123 47 L HN 0.728 nan 8.230 nan 0.000 0.484 48 G N 1.386 110.194 108.800 0.013 0.000 2.667 48 G HA2 0.109 4.069 3.960 -0.000 0.000 0.250 48 G HA3 0.109 4.069 3.960 -0.000 0.000 0.250 48 G C 0.366 175.275 174.900 0.015 0.000 1.212 48 G CA -0.087 45.020 45.100 0.012 0.000 0.874 48 G HN 1.019 nan 8.290 nan 0.000 0.561 49 N N -1.492 117.216 118.700 0.013 0.000 3.002 49 N HA -0.241 4.499 4.740 -0.000 0.000 0.229 49 N C 0.777 176.298 175.510 0.019 0.000 0.927 49 N CA 0.454 53.512 53.050 0.014 0.000 0.980 49 N CB -0.947 37.548 38.487 0.014 0.000 1.077 49 N HN 0.563 nan 8.380 nan 0.000 0.572 50 S N -0.641 115.073 115.700 0.023 0.000 3.419 50 S HA -0.259 4.211 4.470 -0.000 0.000 0.350 50 S C 1.094 175.717 174.600 0.039 0.000 1.128 50 S CA 1.462 59.681 58.200 0.032 0.000 0.999 50 S CB -0.890 62.327 63.200 0.029 0.000 0.923 50 S HN 0.608 nan 8.310 nan 0.000 0.522 51 R N 0.680 121.201 120.500 0.035 0.000 2.340 51 R HA 0.415 4.755 4.340 -0.000 0.000 0.215 51 R C 1.203 177.532 176.300 0.047 0.000 1.017 51 R CA 0.532 56.653 56.100 0.036 0.000 1.111 51 R CB -0.469 29.847 30.300 0.027 0.000 1.049 51 R HN 0.608 nan 8.270 nan 0.000 0.490 52 G N 0.407 109.245 108.800 0.062 0.000 2.384 52 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.200 52 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.200 52 G C -0.783 174.171 174.900 0.091 0.000 1.205 52 G CA -0.404 44.748 45.100 0.087 0.000 1.116 52 G HN 0.676 nan 8.290 nan 0.000 0.547 53 V N -2.722 117.253 119.914 0.102 0.000 2.971 53 V HA 0.842 4.962 4.120 -0.000 0.000 0.309 53 V C -1.593 174.534 176.094 0.056 0.000 1.130 53 V CA -0.304 62.043 62.300 0.079 0.000 0.964 53 V CB 2.215 34.121 31.823 0.139 0.000 1.029 53 V HN 1.095 nan 8.190 nan 0.000 0.427 54 D N 2.944 123.348 120.400 0.006 0.000 2.440 54 D HA 0.730 5.370 4.640 -0.000 0.000 0.239 54 D C 0.515 176.803 176.300 -0.020 0.000 1.084 54 D CA 0.181 54.184 54.000 0.007 0.000 0.843 54 D CB 2.022 42.823 40.800 0.000 0.000 1.097 54 D HN 0.944 nan 8.370 nan 0.000 0.531 55 A N 2.467 125.302 122.820 0.025 0.000 2.275 55 A HA 0.589 4.909 4.320 -0.000 0.000 0.212 55 A C 1.066 178.686 177.584 0.059 0.000 1.201 55 A CA 0.660 52.716 52.037 0.032 0.000 0.843 55 A CB -0.291 18.774 19.000 0.109 0.000 0.873 55 A HN 0.882 nan 8.150 nan 0.000 0.492 56 G N -0.312 108.516 108.800 0.046 0.000 2.619 56 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.686 56 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.686 56 G C -0.922 174.011 174.900 0.055 0.000 1.256 56 G CA -0.914 44.219 45.100 0.055 0.000 0.826 56 G HN 0.172 nan 8.290 nan 0.000 0.619 57 K N 0.810 121.236 120.400 0.044 0.000 2.416 57 K HA 0.485 4.805 4.320 -0.000 0.000 0.283 57 K C 1.498 178.122 176.600 0.040 0.000 1.037 57 K CA 1.023 57.332 56.287 0.036 0.000 0.995 57 K CB 0.621 33.136 32.500 0.026 0.000 0.938 57 K HN 2.283 nan 8.250 nan 0.000 0.475 58 G N 2.735 111.554 108.800 0.032 0.000 2.195 58 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.246 58 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.246 58 G C 0.068 174.985 174.900 0.028 0.000 0.984 58 G CA -0.253 44.861 45.100 0.023 0.000 0.633 58 G HN 0.563 nan 8.290 nan 0.000 0.525 59 N N 0.768 119.497 118.700 0.049 0.000 2.430 59 N HA 0.714 5.454 4.740 -0.000 0.000 0.298 59 N C 0.160 175.715 175.510 0.074 0.000 1.130 59 N CA 0.472 53.558 53.050 0.061 0.000 0.894 59 N CB 1.706 40.245 38.487 0.086 0.000 1.209 59 N HN 0.570 nan 8.380 nan 0.000 0.503 60 T N -2.583 112.027 114.554 0.092 0.000 2.916 60 T HA 0.740 5.090 4.350 -0.000 0.000 0.292 60 T C -1.038 173.801 174.700 0.232 0.000 1.055 60 T CA -0.763 61.413 62.100 0.126 0.000 1.009 60 T CB 1.286 70.198 68.868 0.073 0.000 1.118 60 T HN 0.338 nan 8.240 nan 0.000 0.497 61 F N 1.321 121.337 119.950 0.110 0.000 2.574 61 F HA 0.587 5.114 4.527 -0.000 0.000 0.313 61 F C -1.191 174.727 175.800 0.198 0.000 1.130 61 F CA -0.477 57.631 58.000 0.180 0.000 0.936 61 F CB 1.587 40.699 39.000 0.187 0.000 1.219 61 F HN 0.975 nan 8.300 nan 0.000 0.445 62 E N 4.112 124.194 120.200 -0.197 0.000 2.390 62 E HA 0.256 4.606 4.350 -0.000 0.000 0.280 62 E C -1.949 174.612 176.600 -0.065 0.000 0.992 62 E CA -1.339 55.067 56.400 0.010 0.000 0.790 62 E CB 2.288 32.005 29.700 0.029 0.000 1.248 62 E HN 0.555 nan 8.360 nan 0.000 0.447 63 K N 1.388 121.820 120.400 0.053 0.000 2.312 63 K HA 0.177 4.497 4.320 -0.000 0.000 0.287 63 K C 0.605 177.096 176.600 -0.181 0.000 1.062 63 K CA -0.060 56.123 56.287 -0.173 0.000 0.934 63 K CB 0.991 33.438 32.500 -0.088 0.000 1.027 63 K HN 0.511 nan 8.250 nan 0.000 0.478 64 V N 0.551 120.316 119.914 -0.249 0.000 3.528 64 V HA 0.471 4.591 4.120 -0.000 0.000 0.294 64 V C 0.368 176.375 176.094 -0.146 0.000 1.404 64 V CA 0.372 62.581 62.300 -0.151 0.000 1.065 64 V CB 0.362 32.116 31.823 -0.114 0.000 0.904 64 V HN 0.725 nan 8.190 nan 0.000 0.435 65 G N -1.010 107.656 108.800 -0.222 0.000 2.547 65 G HA2 0.362 4.322 3.960 -0.000 0.000 0.291 65 G HA3 0.362 4.322 3.960 -0.000 0.000 0.291 65 G C 0.071 174.845 174.900 -0.209 0.000 1.471 65 G CA 0.318 45.327 45.100 -0.152 0.000 0.798 65 G HN 0.017 nan 8.290 nan 0.000 0.504 66 S N -0.877 114.759 115.700 -0.106 0.000 2.389 66 S HA -0.224 4.246 4.470 -0.000 0.000 0.231 66 S C 1.341 175.775 174.600 -0.277 0.000 1.052 66 S CA 2.532 60.649 58.200 -0.138 0.000 1.053 66 S CB -0.260 62.937 63.200 -0.005 0.000 0.886 66 S HN 0.641 nan 8.310 nan 0.000 0.456 67 H N -1.303 117.776 119.070 0.015 0.000 2.575 67 H HA 0.546 5.102 4.556 -0.000 0.000 0.256 67 H C -1.111 174.333 175.328 0.192 0.000 1.162 67 H CA -0.402 55.736 56.048 0.151 0.000 0.969 67 H CB 0.742 30.598 29.762 0.157 0.000 1.796 67 H HN 0.168 nan 8.280 nan 0.000 0.607 68 L N 1.129 122.354 121.223 0.004 0.000 2.476 68 L HA 0.401 4.741 4.340 -0.000 0.000 0.269 68 L C -1.810 174.889 176.870 -0.286 0.000 0.965 68 L CA -0.683 54.179 54.840 0.037 0.000 0.845 68 L CB 0.812 42.885 42.059 0.024 0.000 1.259 68 L HN 0.042 nan 8.230 nan 0.000 0.403 69 Y N 3.194 123.595 120.300 0.167 0.000 2.485 69 Y HA 0.615 5.165 4.550 -0.000 0.000 0.345 69 Y C -0.286 175.584 175.900 -0.050 0.000 0.998 69 Y CA -0.731 57.381 58.100 0.021 0.000 1.059 69 Y CB 2.129 40.642 38.460 0.088 0.000 1.234 69 Y HN 0.422 nan 8.280 nan 0.000 0.461 70 K N 1.852 122.181 120.400 -0.118 0.000 2.376 70 K HA 0.877 5.197 4.320 -0.000 0.000 0.257 70 K C -1.642 174.883 176.600 -0.125 0.000 0.939 70 K CA -0.609 55.623 56.287 -0.090 0.000 0.809 70 K CB 1.333 33.776 32.500 -0.096 0.000 1.121 70 K HN 0.818 nan 8.250 nan 0.000 0.425 71 A N 3.396 126.283 122.820 0.111 0.000 2.365 71 A HA 0.639 4.959 4.320 -0.000 0.000 0.318 71 A C -1.215 176.449 177.584 0.134 0.000 1.091 71 A CA -0.828 51.366 52.037 0.260 0.000 0.763 71 A CB 1.395 20.788 19.000 0.656 0.000 1.248 71 A HN 0.766 nan 8.150 nan 0.000 0.442 72 R N 1.935 122.486 120.500 0.085 0.000 2.388 72 R HA 0.676 5.016 4.340 -0.000 0.000 0.314 72 R C -2.104 174.204 176.300 0.013 0.000 0.959 72 R CA -0.124 55.960 56.100 -0.026 0.000 0.851 72 R CB 0.320 30.590 30.300 -0.050 0.000 1.168 72 R HN 0.568 nan 8.270 nan 0.000 0.472 73 L N 4.066 125.280 121.223 -0.014 0.000 2.372 73 L HA 0.409 4.749 4.340 -0.000 0.000 0.274 73 L C -0.565 176.323 176.870 0.031 0.000 0.988 73 L CA -1.031 53.786 54.840 -0.038 0.000 0.833 73 L CB 2.098 44.011 42.059 -0.243 0.000 1.236 73 L HN 0.718 nan 8.230 nan 0.000 0.410 74 D N 3.331 123.773 120.400 0.071 0.000 2.692 74 D HA -0.200 4.440 4.640 -0.000 0.000 0.233 74 D C 1.259 177.431 176.300 -0.213 0.000 1.172 74 D CA 1.800 55.824 54.000 0.040 0.000 0.636 74 D CB -0.611 40.309 40.800 0.201 0.000 1.028 74 D HN 1.096 nan 8.370 nan 0.000 0.419 75 G N -0.706 107.965 108.800 -0.215 0.000 2.184 75 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.264 75 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.264 75 G C 0.117 174.760 174.900 -0.427 0.000 0.975 75 G CA 0.456 45.374 45.100 -0.303 0.000 0.642 75 G HN 0.649 nan 8.290 nan 0.000 0.536 76 H N 1.139 120.087 119.070 -0.203 0.000 2.467 76 H HA 0.451 5.007 4.556 -0.000 0.000 0.326 76 H C -0.610 174.243 175.328 -0.790 0.000 1.094 76 H CA -0.505 55.279 56.048 -0.440 0.000 1.253 76 H CB 1.200 30.716 29.762 -0.410 0.000 1.439 76 H HN 0.248 nan 8.280 nan 0.000 0.479 77 D N 2.931 122.952 120.400 -0.632 0.000 2.168 77 D HA 0.295 4.934 4.640 -0.000 0.000 0.246 77 D C -0.376 175.489 176.300 -0.724 0.000 1.050 77 D CA -0.073 53.583 54.000 -0.574 0.000 0.857 77 D CB 1.344 41.958 40.800 -0.311 0.000 1.169 77 D HN 0.236 nan 8.370 nan 0.000 0.453 78 F N 1.038 120.953 119.950 -0.058 0.000 2.578 78 F HA 0.358 4.885 4.527 -0.000 0.000 0.311 78 F C -0.425 175.152 175.800 -0.371 0.000 1.094 78 F CA -0.988 56.909 58.000 -0.170 0.000 0.923 78 F CB 1.323 40.231 39.000 -0.154 0.000 1.230 78 F HN -0.046 nan 8.300 nan 0.000 0.450 79 L N 2.751 123.794 121.223 -0.301 0.000 2.334 79 L HA 0.575 4.915 4.340 -0.000 0.000 0.273 79 L C -1.032 175.566 176.870 -0.454 0.000 1.013 79 L CA -0.847 53.814 54.840 -0.297 0.000 0.816 79 L CB 1.482 43.426 42.059 -0.191 0.000 1.278 79 L HN 0.448 nan 8.230 nan 0.000 0.431 80 F N 1.792 121.884 119.950 0.237 0.000 2.499 80 F HA 0.373 4.900 4.527 -0.000 0.000 0.333 80 F C 0.388 176.411 175.800 0.372 0.000 1.138 80 F CA -0.800 57.382 58.000 0.304 0.000 0.945 80 F CB 1.448 40.580 39.000 0.221 0.000 1.181 80 F HN 0.365 nan 8.300 nan 0.000 0.435 81 N N 2.390 121.382 118.700 0.486 0.000 2.446 81 N HA 0.312 5.052 4.740 -0.000 0.000 0.265 81 N C -0.737 175.147 175.510 0.623 0.000 0.975 81 N CA -0.205 53.124 53.050 0.465 0.000 0.928 81 N CB 1.460 40.123 38.487 0.294 0.000 1.160 81 N HN 0.681 nan 8.380 nan 0.000 0.495 82 T N 1.005 115.937 114.554 0.630 0.000 2.929 82 T HA 0.419 4.768 4.350 -0.000 0.000 0.284 82 T C 0.912 175.799 174.700 0.312 0.000 1.014 82 T CA -0.923 61.513 62.100 0.560 0.000 1.051 82 T CB 0.978 70.138 68.868 0.487 0.000 1.028 82 T HN 0.477 nan 8.240 nan 0.000 0.485 83 I N 2.839 123.429 120.570 0.033 0.000 2.752 83 I HA 0.071 4.241 4.170 -0.000 0.000 0.289 83 I C 1.125 177.053 176.117 -0.314 0.000 1.197 83 I CA -0.393 60.663 61.300 -0.407 0.000 1.432 83 I CB 0.430 38.235 38.000 -0.326 0.000 1.359 83 I HN 0.807 nan 8.210 nan 0.000 0.571 84 I N 4.704 125.005 120.570 -0.449 0.000 3.462 84 I HA 0.317 4.487 4.170 -0.000 0.000 0.290 84 I C 0.784 176.759 176.117 -0.236 0.000 1.236 84 I CA 0.149 61.178 61.300 -0.450 0.000 1.418 84 I CB -0.051 37.694 38.000 -0.425 0.000 1.102 84 I HN 0.561 nan 8.210 nan 0.000 0.441 85 R N 1.282 121.627 120.500 -0.259 0.000 2.536 85 R HA 0.194 4.534 4.340 -0.000 0.000 0.269 85 R C -1.771 174.340 176.300 -0.315 0.000 1.113 85 R CA -0.562 55.407 56.100 -0.219 0.000 0.948 85 R CB 1.341 31.547 30.300 -0.156 0.000 1.237 85 R HN 0.059 nan 8.270 nan 0.000 0.441 86 D N 2.891 123.138 120.400 -0.256 0.000 2.365 86 D HA 0.195 4.835 4.640 -0.000 0.000 0.237 86 D C 0.802 176.862 176.300 -0.401 0.000 1.190 86 D CA 0.175 54.002 54.000 -0.289 0.000 0.867 86 D CB 1.472 42.180 40.800 -0.153 0.000 1.050 86 D HN 0.716 nan 8.370 nan 0.000 0.491 87 G N 2.015 110.407 108.800 -0.679 0.000 2.813 87 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.209 87 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.209 87 G C 1.211 175.794 174.900 -0.528 0.000 1.150 87 G CA 0.557 45.037 45.100 -1.033 0.000 0.785 87 G HN 0.504 nan 8.290 nan 0.000 0.535 88 S N -0.283 115.224 115.700 -0.321 0.000 2.575 88 S HA 0.142 4.612 4.470 -0.000 0.000 0.215 88 S C 1.857 176.418 174.600 -0.064 0.000 0.966 88 S CA 0.661 58.784 58.200 -0.129 0.000 0.911 88 S CB 0.305 63.487 63.200 -0.030 0.000 0.780 88 S HN 0.184 nan 8.310 nan 0.000 0.514 89 K N 1.833 122.177 120.400 -0.094 0.000 2.000 89 K HA 0.006 4.326 4.320 -0.000 0.000 0.218 89 K C 1.401 177.993 176.600 -0.013 0.000 1.053 89 K CA 1.935 58.194 56.287 -0.047 0.000 0.946 89 K CB -0.468 32.001 32.500 -0.053 0.000 0.723 89 K HN 0.371 nan 8.250 nan 0.000 0.446 90 M N 0.532 120.132 119.600 0.001 0.000 2.571 90 M HA 0.250 4.730 4.480 -0.000 0.000 0.235 90 M C -0.908 175.411 176.300 0.031 0.000 1.216 90 M CA 0.252 55.565 55.300 0.021 0.000 0.979 90 M CB 0.189 32.809 32.600 0.034 0.000 1.616 90 M HN 0.018 nan 8.290 nan 0.000 0.469 91 L N -0.292 120.951 121.223 0.033 0.000 2.334 91 L HA 0.451 4.791 4.340 -0.000 0.000 0.276 91 L C 0.199 177.107 176.870 0.063 0.000 1.014 91 L CA -1.050 53.827 54.840 0.061 0.000 0.815 91 L CB 1.559 43.672 42.059 0.091 0.000 1.268 91 L HN -0.018 nan 8.230 nan 0.000 0.428 92 K N 1.555 121.991 120.400 0.059 0.000 2.355 92 K HA 0.152 4.472 4.320 -0.000 0.000 0.270 92 K C 0.028 176.648 176.600 0.034 0.000 1.003 92 K CA -0.247 56.061 56.287 0.036 0.000 0.957 92 K CB 0.631 33.145 32.500 0.023 0.000 0.939 92 K HN 0.418 nan 8.250 nan 0.000 0.482 93 R N 1.491 121.986 120.500 -0.008 0.000 2.370 93 R HA 0.268 4.608 4.340 -0.000 0.000 0.309 93 R C -1.082 175.138 176.300 -0.134 0.000 1.059 93 R CA 0.041 56.109 56.100 -0.054 0.000 0.981 93 R CB 0.358 30.629 30.300 -0.047 0.000 0.972 93 R HN 0.673 nan 8.270 nan 0.000 0.437 94 A N 3.683 126.319 122.820 -0.306 0.000 2.569 94 A HA 0.383 4.703 4.320 -0.000 0.000 0.290 94 A C -1.618 175.582 177.584 -0.640 0.000 1.136 94 A CA -0.984 50.785 52.037 -0.447 0.000 0.710 94 A CB 1.589 20.307 19.000 -0.470 0.000 1.303 94 A HN 0.706 nan 8.150 nan 0.000 0.413 95 D N 1.483 121.615 120.400 -0.446 0.000 2.396 95 D HA 0.441 5.081 4.640 -0.000 0.000 0.225 95 D C -1.161 174.940 176.300 -0.331 0.000 1.121 95 D CA 0.588 54.387 54.000 -0.334 0.000 0.853 95 D CB 0.305 41.017 40.800 -0.148 0.000 1.043 95 D HN 0.319 nan 8.370 nan 0.000 0.500 96 Y N 0.657 120.958 120.300 0.001 0.000 2.377 96 Y HA 0.169 4.719 4.550 0.000 0.000 0.330 96 Y C 1.970 177.862 175.900 -0.012 0.000 1.108 96 Y CA -0.379 57.712 58.100 -0.015 0.000 1.308 96 Y CB 0.821 39.260 38.460 -0.035 0.000 1.216 96 Y HN 0.232 nan 8.280 nan 0.000 0.518 97 T N -1.246 113.387 114.554 0.131 0.000 3.043 97 T HA 0.733 5.083 4.350 -0.000 0.000 0.272 97 T C 0.160 174.882 174.700 0.036 0.000 0.990 97 T CA 0.158 62.294 62.100 0.061 0.000 0.897 97 T CB 0.072 68.958 68.868 0.031 0.000 1.111 97 T HN 0.703 nan 8.240 nan 0.000 0.529 98 A N 0.320 123.165 122.820 0.043 0.000 2.594 98 A HA 0.786 5.106 4.320 -0.000 0.000 0.296 98 A C -1.692 175.889 177.584 -0.006 0.000 1.061 98 A CA -0.695 51.346 52.037 0.006 0.000 0.689 98 A CB 1.813 20.813 19.000 0.001 0.000 1.280 98 A HN 0.768 nan 8.150 nan 0.000 0.406 99 V N 1.072 120.975 119.914 -0.018 0.000 3.048 99 V HA 0.809 4.929 4.120 -0.000 0.000 0.303 99 V C -2.070 174.050 176.094 0.044 0.000 1.214 99 V CA -0.318 61.980 62.300 -0.003 0.000 0.984 99 V CB 2.210 34.012 31.823 -0.036 0.000 1.054 99 V HN 1.176 nan 8.190 nan 0.000 0.430 100 D N 1.632 122.098 120.400 0.111 0.000 2.596 100 D HA 0.726 5.366 4.640 -0.000 0.000 0.262 100 D C -1.300 175.222 176.300 0.371 0.000 1.210 100 D CA 0.056 54.182 54.000 0.210 0.000 0.873 100 D CB 2.742 43.656 40.800 0.190 0.000 1.408 100 D HN 0.745 nan 8.370 nan 0.000 0.441 101 T N -0.564 114.202 114.554 0.353 0.000 2.896 101 T HA 0.842 5.192 4.350 -0.000 0.000 0.297 101 T C -1.791 172.851 174.700 -0.097 0.000 1.108 101 T CA -0.268 61.905 62.100 0.121 0.000 1.004 101 T CB 1.156 69.998 68.868 -0.044 0.000 1.159 101 T HN 0.519 nan 8.240 nan 0.000 0.499 102 A N 2.811 125.307 122.820 -0.540 0.000 2.574 102 A HA 0.804 5.124 4.320 -0.000 0.000 0.297 102 A C -1.254 176.021 177.584 -0.514 0.000 1.062 102 A CA -0.725 50.931 52.037 -0.635 0.000 0.686 102 A CB 1.718 19.973 19.000 -1.242 0.000 1.285 102 A HN 0.692 nan 8.150 nan 0.000 0.403 103 K N 3.202 123.400 120.400 -0.336 0.000 2.740 103 K HA 0.377 4.697 4.320 -0.000 0.000 0.246 103 K C -0.716 175.777 176.600 -0.179 0.000 1.021 103 K CA -0.609 55.522 56.287 -0.261 0.000 1.021 103 K CB 0.621 32.989 32.500 -0.221 0.000 1.233 103 K HN 0.579 nan 8.250 nan 0.000 0.497 104 L N 1.896 123.017 121.223 -0.169 0.000 2.194 104 L HA 0.116 4.456 4.340 -0.000 0.000 0.197 104 L C 1.997 178.812 176.870 -0.091 0.000 1.106 104 L CA 1.373 56.149 54.840 -0.107 0.000 0.785 104 L CB -0.760 41.245 42.059 -0.090 0.000 0.960 104 L HN 0.730 nan 8.230 nan 0.000 0.465 105 Q N -0.586 119.157 119.800 -0.094 0.000 2.363 105 Q HA 0.109 4.449 4.340 -0.000 0.000 0.192 105 Q C 0.713 176.653 176.000 -0.100 0.000 0.994 105 Q CA -0.055 55.700 55.803 -0.080 0.000 0.848 105 Q CB 0.415 29.116 28.738 -0.061 0.000 0.987 105 Q HN 0.328 nan 8.270 nan 0.000 0.559 106 M N 0.893 120.427 119.600 -0.110 0.000 2.235 106 M HA 0.342 4.822 4.480 -0.000 0.000 0.351 106 M C -0.237 175.945 176.300 -0.197 0.000 1.178 106 M CA -0.291 54.931 55.300 -0.130 0.000 1.143 106 M CB 1.044 33.579 32.600 -0.107 0.000 1.530 106 M HN -0.057 nan 8.290 nan 0.000 0.461 107 R N 2.303 122.662 120.500 -0.235 0.000 2.390 107 R HA 0.452 4.792 4.340 -0.000 0.000 0.291 107 R C -0.964 175.076 176.300 -0.434 0.000 1.070 107 R CA -0.188 55.691 56.100 -0.367 0.000 1.014 107 R CB 0.870 30.924 30.300 -0.409 0.000 1.007 107 R HN 0.899 nan 8.270 nan 0.000 0.466 108 R N 2.842 123.017 120.500 -0.542 0.000 2.867 108 R HA 0.464 4.804 4.340 -0.000 0.000 0.268 108 R C -1.418 174.574 176.300 -0.513 0.000 1.014 108 R CA -0.755 55.103 56.100 -0.404 0.000 0.946 108 R CB 1.469 31.687 30.300 -0.137 0.000 1.208 108 R HN 0.415 nan 8.270 nan 0.000 0.477 109 F N 1.972 121.963 119.950 0.069 0.000 2.551 109 F HA 0.530 5.057 4.527 -0.000 0.000 0.316 109 F C 0.027 175.908 175.800 0.136 0.000 1.089 109 F CA -0.905 57.164 58.000 0.115 0.000 0.915 109 F CB 1.648 40.639 39.000 -0.015 0.000 1.186 109 F HN 0.278 nan 8.300 nan 0.000 0.456 110 I N 1.618 122.347 120.570 0.265 0.000 2.569 110 I HA 0.793 4.963 4.170 -0.000 0.000 0.296 110 I C -1.597 174.522 176.117 0.004 0.000 1.028 110 I CA -0.881 60.433 61.300 0.024 0.000 1.082 110 I CB 2.184 40.033 38.000 -0.252 0.000 1.264 110 I HN 0.399 nan 8.210 nan 0.000 0.429 111 L N 4.651 125.853 121.223 -0.035 0.000 2.401 111 L HA 0.845 5.185 4.340 -0.000 0.000 0.266 111 L C 0.107 176.994 176.870 0.028 0.000 0.991 111 L CA -0.636 54.179 54.840 -0.043 0.000 0.818 111 L CB 2.118 44.056 42.059 -0.202 0.000 1.321 111 L HN 0.871 nan 8.230 nan 0.000 0.413 112 G N 0.041 108.883 108.800 0.071 0.000 2.448 112 G HA2 0.689 4.649 3.960 -0.000 0.000 0.324 112 G HA3 0.689 4.649 3.960 -0.000 0.000 0.324 112 G C -0.659 174.313 174.900 0.121 0.000 1.203 112 G CA -0.334 44.805 45.100 0.064 0.000 0.954 112 G HN 0.555 nan 8.290 nan 0.000 0.480 113 T N -2.510 112.081 114.554 0.060 0.000 2.942 113 T HA 0.495 4.845 4.350 -0.000 0.000 0.289 113 T C 1.644 176.338 174.700 -0.010 0.000 1.044 113 T CA 0.422 62.527 62.100 0.009 0.000 1.023 113 T CB 1.372 70.212 68.868 -0.047 0.000 1.123 113 T HN 0.764 nan 8.240 nan 0.000 0.512 114 T N -1.565 112.968 114.554 -0.036 0.000 2.929 114 T HA -0.067 4.283 4.350 -0.000 0.000 0.271 114 T C 1.353 176.044 174.700 -0.015 0.000 1.085 114 T CA 1.399 63.485 62.100 -0.023 0.000 1.125 114 T CB -0.434 68.413 68.868 -0.034 0.000 0.874 114 T HN 0.658 nan 8.240 nan 0.000 0.494 115 E N 0.779 120.966 120.200 -0.021 0.000 2.447 115 E HA 0.352 4.702 4.350 -0.000 0.000 0.195 115 E C 1.474 178.083 176.600 0.015 0.000 1.028 115 E CA 0.623 57.018 56.400 -0.009 0.000 0.876 115 E CB -0.156 29.529 29.700 -0.025 0.000 0.885 115 E HN 0.663 nan 8.360 nan 0.000 0.500 116 G N 0.749 109.563 108.800 0.023 0.000 2.148 116 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.203 116 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.203 116 G C -0.565 174.359 174.900 0.039 0.000 0.993 116 G CA -0.037 45.101 45.100 0.063 0.000 0.661 116 G HN 0.185 nan 8.290 nan 0.000 0.518 117 D N 0.214 120.613 120.400 -0.001 0.000 2.225 117 D HA 0.638 5.278 4.640 -0.000 0.000 0.249 117 D C 0.649 176.917 176.300 -0.054 0.000 1.052 117 D CA 0.032 54.009 54.000 -0.039 0.000 0.909 117 D CB 1.560 42.344 40.800 -0.026 0.000 1.186 117 D HN 0.295 nan 8.370 nan 0.000 0.431 118 I N 1.300 121.785 120.570 -0.141 0.000 2.433 118 I HA 0.275 4.445 4.170 -0.000 0.000 0.292 118 I C 0.110 176.155 176.117 -0.120 0.000 1.001 118 I CA -0.761 60.443 61.300 -0.160 0.000 1.119 118 I CB 1.434 39.232 38.000 -0.336 0.000 1.289 118 I HN -0.083 nan 8.210 nan 0.000 0.438 119 K N 5.386 125.755 120.400 -0.053 0.000 2.323 119 K HA 0.606 4.926 4.320 -0.000 0.000 0.259 119 K C -1.178 175.413 176.600 -0.016 0.000 0.947 119 K CA -0.761 55.514 56.287 -0.020 0.000 0.819 119 K CB 2.739 35.261 32.500 0.036 0.000 1.109 119 K HN 0.258 nan 8.250 nan 0.000 0.429 120 V N 5.176 125.087 119.914 -0.004 0.000 2.407 120 V HA 0.378 4.498 4.120 -0.000 0.000 0.278 120 V C -0.137 175.998 176.094 0.068 0.000 1.037 120 V CA -0.677 61.649 62.300 0.042 0.000 0.900 120 V CB 0.630 32.478 31.823 0.041 0.000 0.983 120 V HN 0.582 nan 8.190 nan 0.000 0.459 121 L N 3.964 125.256 121.223 0.114 0.000 2.323 121 L HA 0.682 5.022 4.340 -0.000 0.000 0.265 121 L C -0.383 176.535 176.870 0.080 0.000 1.012 121 L CA -0.967 53.940 54.840 0.111 0.000 0.820 121 L CB 2.184 44.341 42.059 0.163 0.000 1.334 121 L HN 0.688 nan 8.230 nan 0.000 0.427 122 D N -0.989 119.428 120.400 0.027 0.000 2.478 122 D HA 0.086 4.726 4.640 -0.000 0.000 0.263 122 D C 1.068 177.307 176.300 -0.102 0.000 1.153 122 D CA -0.419 53.555 54.000 -0.043 0.000 1.038 122 D CB 0.985 41.763 40.800 -0.036 0.000 1.120 122 D HN 0.454 nan 8.370 nan 0.000 0.564 123 S N -0.469 115.139 115.700 -0.153 0.000 2.413 123 S HA -0.310 4.160 4.470 -0.000 0.000 0.237 123 S C 1.008 175.486 174.600 -0.203 0.000 1.044 123 S CA 1.872 59.965 58.200 -0.178 0.000 1.024 123 S CB -0.813 62.309 63.200 -0.131 0.000 0.829 123 S HN 0.566 nan 8.310 nan 0.000 0.475 124 N N -0.663 117.964 118.700 -0.122 0.000 2.251 124 N HA 0.324 5.064 4.740 -0.000 0.000 0.217 124 N C -0.706 174.863 175.510 0.099 0.000 1.124 124 N CA -0.013 53.028 53.050 -0.014 0.000 0.843 124 N CB 0.032 38.535 38.487 0.026 0.000 1.024 124 N HN 0.339 nan 8.380 nan 0.000 0.501 125 F N -1.241 118.738 119.950 0.048 0.000 3.069 125 F HA -0.297 4.230 4.527 0.000 0.000 0.285 125 F C -0.230 175.562 175.800 -0.014 0.000 0.827 125 F CA 0.176 58.163 58.000 -0.022 0.000 1.108 125 F CB -2.427 36.492 39.000 -0.135 0.000 1.252 125 F HN 0.151 nan 8.300 nan 0.000 0.483 126 N N 0.581 119.346 118.700 0.109 0.000 2.455 126 N HA 0.473 5.212 4.740 -0.000 0.000 0.280 126 N C -0.311 175.235 175.510 0.060 0.000 1.055 126 N CA -0.866 52.229 53.050 0.074 0.000 0.961 126 N CB 0.880 39.396 38.487 0.048 0.000 1.121 126 N HN 0.138 nan 8.380 nan 0.000 0.476 127 L N 2.162 123.417 121.223 0.054 0.000 2.559 127 L HA -0.064 4.276 4.340 -0.000 0.000 0.274 127 L C 0.854 177.743 176.870 0.032 0.000 1.205 127 L CA 1.122 55.988 54.840 0.044 0.000 0.907 127 L CB 0.405 42.487 42.059 0.038 0.000 1.153 127 L HN 0.669 nan 8.230 nan 0.000 0.490 128 Q N 3.951 123.769 119.800 0.030 0.000 2.391 128 Q HA 0.262 4.601 4.340 -0.000 0.000 0.243 128 Q C -0.032 175.979 176.000 0.018 0.000 0.874 128 Q CA 0.051 55.868 55.803 0.024 0.000 0.950 128 Q CB 0.923 29.677 28.738 0.028 0.000 1.103 128 Q HN 0.672 nan 8.270 nan 0.000 0.544 129 R N 0.488 120.996 120.500 0.013 0.000 2.633 129 R HA 0.167 4.507 4.340 -0.000 0.000 0.255 129 R C -2.070 174.217 176.300 -0.021 0.000 1.106 129 R CA -0.193 55.905 56.100 -0.003 0.000 0.959 129 R CB 1.738 32.036 30.300 -0.004 0.000 1.259 129 R HN -0.042 nan 8.270 nan 0.000 0.453 130 E N 5.174 125.356 120.200 -0.031 0.000 2.158 130 E HA 0.318 4.668 4.350 -0.000 0.000 0.271 130 E C -0.912 175.633 176.600 -0.092 0.000 0.911 130 E CA -0.655 55.713 56.400 -0.053 0.000 0.767 130 E CB 1.175 30.859 29.700 -0.028 0.000 1.120 130 E HN 0.487 nan 8.360 nan 0.000 0.405 131 I N 4.600 125.067 120.570 -0.171 0.000 2.287 131 I HA 0.130 4.300 4.170 -0.000 0.000 0.290 131 I C 0.298 176.298 176.117 -0.196 0.000 1.069 131 I CA -0.396 60.749 61.300 -0.258 0.000 1.237 131 I CB 0.600 38.249 38.000 -0.585 0.000 1.418 131 I HN 0.477 nan 8.210 nan 0.000 0.481 132 D N 5.881 126.218 120.400 -0.106 0.000 2.345 132 D HA 0.054 4.694 4.640 -0.000 0.000 0.247 132 D C 0.276 176.549 176.300 -0.045 0.000 1.108 132 D CA 0.136 54.100 54.000 -0.061 0.000 0.894 132 D CB 0.929 41.712 40.800 -0.029 0.000 1.203 132 D HN 0.527 nan 8.370 nan 0.000 0.430 133 Q N 0.858 120.646 119.800 -0.019 0.000 2.457 133 Q HA -0.301 4.039 4.340 -0.000 0.000 0.283 133 Q C 1.063 177.086 176.000 0.038 0.000 1.234 133 Q CA 0.519 56.333 55.803 0.019 0.000 0.877 133 Q CB -1.302 27.452 28.738 0.027 0.000 1.250 133 Q HN 0.582 nan 8.270 nan 0.000 0.481 134 A N -0.650 122.162 122.820 -0.014 0.000 1.948 134 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 134 A C 0.600 178.248 177.584 0.107 0.000 1.177 134 A CA 1.861 53.895 52.037 -0.003 0.000 0.636 134 A CB -0.055 18.768 19.000 -0.295 0.000 0.815 134 A HN 0.605 nan 8.150 nan 0.000 0.449 135 H N -4.712 114.441 119.070 0.137 0.000 2.907 135 H HA 0.468 5.024 4.556 -0.000 0.000 0.361 135 H C 1.080 176.454 175.328 0.076 0.000 1.194 135 H CA -0.312 55.813 56.048 0.128 0.000 1.152 135 H CB 1.784 31.614 29.762 0.114 0.000 1.867 135 H HN -0.159 nan 8.280 nan 0.000 0.561 136 V N -0.085 119.953 119.914 0.207 0.000 2.307 136 V HA -0.122 3.998 4.120 -0.000 0.000 0.245 136 V C 0.753 176.907 176.094 0.100 0.000 1.045 136 V CA 1.908 64.280 62.300 0.120 0.000 1.024 136 V CB -0.541 31.342 31.823 0.100 0.000 0.651 136 V HN 0.772 nan 8.190 nan 0.000 0.449 137 S N -1.790 113.975 115.700 0.108 0.000 2.810 137 S HA 0.447 4.917 4.470 -0.000 0.000 0.315 137 S C -0.363 174.263 174.600 0.042 0.000 1.138 137 S CA -0.695 57.542 58.200 0.061 0.000 0.889 137 S CB 1.577 64.804 63.200 0.044 0.000 1.236 137 S HN 0.375 nan 8.310 nan 0.000 0.548 138 E N 0.607 120.816 120.200 0.015 0.000 3.056 138 E HA -0.099 4.251 4.350 -0.000 0.000 0.264 138 E C -0.484 176.093 176.600 -0.038 0.000 0.899 138 E CA 0.030 56.428 56.400 -0.004 0.000 0.966 138 E CB 0.127 29.825 29.700 -0.003 0.000 0.913 138 E HN 0.389 nan 8.360 nan 0.000 0.522 139 I N 5.558 126.107 120.570 -0.036 0.000 2.517 139 I HA -0.069 4.100 4.170 -0.000 0.000 0.285 139 I C 1.730 177.816 176.117 -0.051 0.000 1.106 139 I CA 0.482 61.738 61.300 -0.073 0.000 1.402 139 I CB 0.227 38.212 38.000 -0.025 0.000 1.399 139 I HN 0.646 nan 8.210 nan 0.000 0.535 140 T N 2.345 116.856 114.554 -0.071 0.000 3.037 140 T HA 0.142 4.492 4.350 -0.000 0.000 0.251 140 T C 0.660 175.347 174.700 -0.023 0.000 1.079 140 T CA 0.135 62.212 62.100 -0.038 0.000 1.067 140 T CB 0.407 69.250 68.868 -0.041 0.000 0.948 140 T HN 0.427 nan 8.240 nan 0.000 0.496 141 K N -0.151 120.231 120.400 -0.030 0.000 2.587 141 K HA 0.683 5.003 4.320 -0.000 0.000 0.276 141 K C -2.386 174.204 176.600 -0.015 0.000 0.956 141 K CA -0.749 55.531 56.287 -0.013 0.000 0.857 141 K CB 1.647 34.146 32.500 -0.002 0.000 1.431 141 K HN 0.183 nan 8.250 nan 0.000 0.420 142 L N 3.259 124.472 121.223 -0.016 0.000 2.470 142 L HA 0.587 4.927 4.340 -0.000 0.000 0.268 142 L C -1.126 175.715 176.870 -0.049 0.000 0.964 142 L CA -0.900 53.917 54.840 -0.038 0.000 0.839 142 L CB 1.975 43.997 42.059 -0.061 0.000 1.276 142 L HN 0.460 nan 8.230 nan 0.000 0.403 143 K N 3.339 123.688 120.400 -0.086 0.000 2.443 143 K HA 0.479 4.799 4.320 -0.000 0.000 0.252 143 K C -0.981 175.538 176.600 -0.135 0.000 0.933 143 K CA -0.674 55.563 56.287 -0.083 0.000 0.792 143 K CB 2.535 34.969 32.500 -0.110 0.000 1.185 143 K HN 0.180 nan 8.250 nan 0.000 0.425 144 F N 1.798 121.739 119.950 -0.015 0.000 2.471 144 F HA 0.200 4.727 4.527 0.000 0.000 0.353 144 F C 0.883 176.657 175.800 -0.043 0.000 1.113 144 F CA 0.094 58.114 58.000 0.035 0.000 1.262 144 F CB 0.239 39.270 39.000 0.052 0.000 1.146 144 F HN 0.366 nan 8.300 nan 0.000 0.578 145 F N 3.972 124.086 119.950 0.273 0.000 2.444 145 F HA 0.156 4.683 4.527 -0.000 0.000 0.331 145 F C -1.051 174.845 175.800 0.161 0.000 1.167 145 F CA -1.291 56.815 58.000 0.176 0.000 1.262 145 F CB -0.173 38.901 39.000 0.123 0.000 1.196 145 F HN 0.388 nan 8.300 nan 0.000 0.583 146 P HA -0.164 nan 4.420 nan 0.000 0.221 146 P C 1.392 178.760 177.300 0.113 0.000 1.145 146 P CA 1.604 64.797 63.100 0.155 0.000 0.795 146 P CB -0.126 31.655 31.700 0.135 0.000 0.775 147 S N -1.203 114.587 115.700 0.149 0.000 2.442 147 S HA -0.005 4.465 4.470 -0.000 0.000 0.236 147 S C 1.966 176.597 174.600 0.052 0.000 1.007 147 S CA 1.042 59.293 58.200 0.085 0.000 0.965 147 S CB -1.697 61.549 63.200 0.077 0.000 0.773 147 S HN 0.294 nan 8.310 nan 0.000 0.504 148 G N 0.872 109.719 108.800 0.078 0.000 2.196 148 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.268 148 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.268 148 G C 0.699 175.677 174.900 0.129 0.000 0.975 148 G CA 0.660 45.731 45.100 -0.049 0.000 0.648 148 G HN 0.551 nan 8.290 nan 0.000 0.538 149 E N -0.226 120.077 120.200 0.173 0.000 2.498 149 E HA 0.533 4.883 4.350 -0.000 0.000 0.203 149 E C 1.087 177.799 176.600 0.186 0.000 1.013 149 E CA 0.879 57.368 56.400 0.150 0.000 0.927 149 E CB 0.844 30.582 29.700 0.064 0.000 1.012 149 E HN 0.932 nan 8.360 nan 0.000 0.482 150 A N 0.784 123.773 122.820 0.282 0.000 2.527 150 A HA 0.772 5.092 4.320 -0.000 0.000 0.293 150 A C -1.127 176.788 177.584 0.552 0.000 1.117 150 A CA -0.751 51.454 52.037 0.281 0.000 0.723 150 A CB 1.168 20.131 19.000 -0.063 0.000 1.313 150 A HN 0.099 nan 8.150 nan 0.000 0.411 151 L N -1.107 120.411 121.223 0.492 0.000 2.469 151 L HA 0.905 5.245 4.340 -0.000 0.000 0.256 151 L C -0.980 176.154 176.870 0.440 0.000 1.006 151 L CA -0.589 54.457 54.840 0.343 0.000 0.832 151 L CB 1.877 43.893 42.059 -0.072 0.000 1.421 151 L HN 0.749 nan 8.230 nan 0.000 0.410 152 I N 1.473 122.152 120.570 0.181 0.000 2.545 152 I HA 0.780 4.950 4.170 -0.000 0.000 0.292 152 I C -0.585 175.615 176.117 0.139 0.000 1.040 152 I CA -0.128 61.274 61.300 0.169 0.000 1.068 152 I CB 2.036 40.039 38.000 0.004 0.000 1.251 152 I HN 0.993 nan 8.210 nan 0.000 0.424 153 S N 4.438 120.294 115.700 0.260 0.000 2.568 153 S HA 0.822 5.292 4.470 -0.000 0.000 0.302 153 S C -0.558 174.111 174.600 0.114 0.000 1.082 153 S CA -0.604 57.730 58.200 0.225 0.000 1.009 153 S CB 1.743 65.204 63.200 0.435 0.000 1.069 153 S HN 0.685 nan 8.310 nan 0.000 0.500 154 S N 0.475 116.141 115.700 -0.056 0.000 2.599 154 S HA 0.887 5.357 4.470 -0.000 0.000 0.294 154 S C -0.544 173.864 174.600 -0.319 0.000 1.094 154 S CA -0.681 57.435 58.200 -0.139 0.000 0.931 154 S CB 1.636 64.804 63.200 -0.052 0.000 1.093 154 S HN 1.114 nan 8.310 nan 0.000 0.488 155 S N -0.249 115.272 115.700 -0.298 0.000 2.596 155 S HA 0.339 4.809 4.470 -0.000 0.000 0.270 155 S C 0.290 174.833 174.600 -0.094 0.000 1.155 155 S CA -0.616 57.418 58.200 -0.277 0.000 0.827 155 S CB 1.530 64.417 63.200 -0.522 0.000 1.130 155 S HN 0.787 nan 8.310 nan 0.000 0.467 156 Q N 0.585 120.356 119.800 -0.048 0.000 2.297 156 Q HA -0.136 4.204 4.340 -0.000 0.000 0.208 156 Q C 0.676 176.694 176.000 0.030 0.000 0.981 156 Q CA 1.707 57.509 55.803 -0.002 0.000 0.876 156 Q CB -0.294 28.449 28.738 0.008 0.000 0.921 156 Q HN 0.762 nan 8.270 nan 0.000 0.446 157 D N -0.443 119.987 120.400 0.050 0.000 2.371 157 D HA -0.139 4.501 4.640 -0.000 0.000 0.234 157 D C 0.538 176.906 176.300 0.112 0.000 1.049 157 D CA 0.289 54.347 54.000 0.096 0.000 0.907 157 D CB -0.265 40.627 40.800 0.152 0.000 0.891 157 D HN 0.269 nan 8.370 nan 0.000 0.531 158 M N -2.317 117.339 119.600 0.094 0.000 2.939 158 M HA -0.268 4.212 4.480 -0.000 0.000 0.194 158 M C -0.538 175.874 176.300 0.186 0.000 0.617 158 M CA 1.043 56.422 55.300 0.132 0.000 0.734 158 M CB -2.016 30.670 32.600 0.143 0.000 2.637 158 M HN 0.171 nan 8.290 nan 0.000 0.316 159 Q N 0.371 120.273 119.800 0.170 0.000 2.351 159 Q HA 0.868 5.208 4.340 -0.000 0.000 0.273 159 Q C -0.901 175.204 176.000 0.175 0.000 1.077 159 Q CA -1.021 54.887 55.803 0.175 0.000 0.843 159 Q CB 2.208 31.050 28.738 0.174 0.000 1.367 159 Q HN 0.223 nan 8.270 nan 0.000 0.449 160 L N 0.870 122.133 121.223 0.066 0.000 2.342 160 L HA 0.554 4.894 4.340 -0.000 0.000 0.271 160 L C -0.633 176.239 176.870 0.004 0.000 1.008 160 L CA -0.454 54.413 54.840 0.044 0.000 0.818 160 L CB 1.578 43.548 42.059 -0.149 0.000 1.296 160 L HN 0.370 nan 8.230 nan 0.000 0.427 161 K N 2.760 123.205 120.400 0.075 0.000 2.427 161 K HA 0.629 4.948 4.320 -0.000 0.000 0.252 161 K C -1.379 175.049 176.600 -0.287 0.000 0.931 161 K CA -0.536 55.615 56.287 -0.227 0.000 0.793 161 K CB 2.520 34.774 32.500 -0.410 0.000 1.211 161 K HN 0.395 nan 8.250 nan 0.000 0.426 162 I N 2.357 122.683 120.570 -0.408 0.000 2.331 162 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 162 I C -0.887 174.975 176.117 -0.425 0.000 0.998 162 I CA -0.559 60.616 61.300 -0.209 0.000 1.267 162 I CB 0.618 38.569 38.000 -0.081 0.000 1.386 162 I HN 0.387 nan 8.210 nan 0.000 0.476 163 W N 4.222 125.551 121.300 0.048 0.000 2.627 163 W HA 0.509 5.169 4.660 -0.000 0.000 0.339 163 W C 0.319 176.849 176.519 0.019 0.000 1.058 163 W CA -0.778 56.576 57.345 0.015 0.000 1.223 163 W CB 1.551 31.015 29.460 0.007 0.000 1.389 163 W HN 0.274 nan 8.180 nan 0.000 0.541 164 S N 0.804 116.645 115.700 0.236 0.000 2.525 164 S HA 0.249 4.719 4.470 -0.000 0.000 0.278 164 S C 0.548 175.249 174.600 0.168 0.000 1.234 164 S CA -0.607 57.681 58.200 0.147 0.000 1.058 164 S CB 1.046 64.293 63.200 0.079 0.000 0.983 164 S HN 0.378 nan 8.310 nan 0.000 0.495 165 V N 6.106 126.114 119.914 0.156 0.000 2.970 165 V HA -0.027 4.093 4.120 -0.000 0.000 0.260 165 V C 2.577 178.730 176.094 0.099 0.000 1.100 165 V CA 1.032 63.420 62.300 0.148 0.000 1.122 165 V CB -0.584 31.366 31.823 0.211 0.000 0.721 165 V HN 0.752 nan 8.190 nan 0.000 0.483 166 K N 1.461 121.910 120.400 0.081 0.000 2.001 166 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 166 K C 1.428 178.058 176.600 0.051 0.000 1.048 166 K CA 2.157 58.476 56.287 0.055 0.000 0.932 166 K CB -0.086 32.438 32.500 0.040 0.000 0.715 166 K HN 0.751 nan 8.250 nan 0.000 0.437 167 D N -3.702 116.735 120.400 0.061 0.000 2.516 167 D HA 0.135 4.775 4.640 -0.000 0.000 0.241 167 D C 0.735 177.082 176.300 0.078 0.000 1.246 167 D CA 0.543 54.577 54.000 0.056 0.000 0.808 167 D CB 0.216 41.043 40.800 0.045 0.000 1.147 167 D HN 0.216 nan 8.370 nan 0.000 0.527 168 G N 0.291 109.159 108.800 0.113 0.000 2.147 168 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 168 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 168 G C 0.294 175.366 174.900 0.288 0.000 1.005 168 G CA 0.353 45.553 45.100 0.166 0.000 0.713 168 G HN 0.559 nan 8.290 nan 0.000 0.515 169 S N -0.712 115.112 115.700 0.207 0.000 2.593 169 S HA 0.469 4.939 4.470 -0.000 0.000 0.269 169 S C 0.567 175.233 174.600 0.110 0.000 1.334 169 S CA 0.188 58.474 58.200 0.143 0.000 1.015 169 S CB 0.804 64.036 63.200 0.053 0.000 0.912 169 S HN 0.615 nan 8.310 nan 0.000 0.541 170 N N 2.476 121.119 118.700 -0.096 0.000 2.918 170 N HA 0.393 5.133 4.740 -0.000 0.000 0.270 170 N C -1.729 173.580 175.510 -0.336 0.000 1.536 170 N CA -1.929 50.836 53.050 -0.476 0.000 0.877 170 N CB 0.966 39.010 38.487 -0.738 0.000 1.190 170 N HN 0.349 nan 8.380 nan 0.000 0.492 171 P HA 0.011 nan 4.420 nan 0.000 0.226 171 P C -0.454 176.730 177.300 -0.192 0.000 1.153 171 P CA 0.701 63.695 63.100 -0.176 0.000 0.777 171 P CB 0.461 32.078 31.700 -0.138 0.000 0.794 172 R N -0.867 119.476 120.500 -0.262 0.000 2.584 172 R HA 0.489 4.829 4.340 -0.000 0.000 0.276 172 R C -0.922 175.204 176.300 -0.290 0.000 1.046 172 R CA -0.191 55.773 56.100 -0.227 0.000 0.906 172 R CB 1.802 31.993 30.300 -0.181 0.000 1.215 172 R HN -0.187 nan 8.270 nan 0.000 0.449 173 T N 3.688 118.103 114.554 -0.231 0.000 2.890 173 T HA 0.453 4.803 4.350 -0.000 0.000 0.295 173 T C -0.067 174.509 174.700 -0.207 0.000 0.993 173 T CA -0.588 61.376 62.100 -0.226 0.000 0.979 173 T CB 1.088 69.844 68.868 -0.186 0.000 0.967 173 T HN 0.243 nan 8.240 nan 0.000 0.441 174 L N 5.683 126.710 121.223 -0.327 0.000 2.255 174 L HA 0.617 4.957 4.340 -0.000 0.000 0.289 174 L C 0.230 176.931 176.870 -0.281 0.000 1.046 174 L CA -0.824 53.662 54.840 -0.590 0.000 0.816 174 L CB 0.172 41.351 42.059 -1.466 0.000 1.197 174 L HN 0.609 nan 8.230 nan 0.000 0.427 175 I N -0.796 119.804 120.570 0.051 0.000 2.562 175 I HA 0.951 5.121 4.170 -0.000 0.000 0.301 175 I C 0.606 176.940 176.117 0.361 0.000 1.003 175 I CA -0.351 61.062 61.300 0.187 0.000 1.127 175 I CB 2.151 40.215 38.000 0.106 0.000 1.304 175 I HN 0.639 nan 8.210 nan 0.000 0.446 176 G N 2.814 111.772 108.800 0.263 0.000 3.382 176 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.214 176 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.214 176 G C 0.120 175.077 174.900 0.094 0.000 1.025 176 G CA -0.540 44.644 45.100 0.140 0.000 0.869 176 G HN 0.727 nan 8.290 nan 0.000 0.458 177 H N 1.186 120.396 119.070 0.234 0.000 2.897 177 H HA 0.308 4.864 4.556 -0.000 0.000 0.347 177 H C 1.331 176.729 175.328 0.117 0.000 1.068 177 H CA 0.565 56.714 56.048 0.168 0.000 1.426 177 H CB 0.869 30.750 29.762 0.198 0.000 1.410 177 H HN 0.339 nan 8.280 nan 0.000 0.597 178 R N 1.523 122.171 120.500 0.247 0.000 2.362 178 R HA 0.416 4.756 4.340 -0.000 0.000 0.227 178 R C 0.236 176.612 176.300 0.127 0.000 0.905 178 R CA 0.129 56.322 56.100 0.153 0.000 1.067 178 R CB 0.874 31.248 30.300 0.123 0.000 1.078 178 R HN 0.496 nan 8.270 nan 0.000 0.516 179 A N -0.038 122.859 122.820 0.128 0.000 2.533 179 A HA 0.446 4.766 4.320 -0.000 0.000 0.293 179 A C -0.609 177.001 177.584 0.043 0.000 1.228 179 A CA -0.647 51.436 52.037 0.076 0.000 0.689 179 A CB 0.710 19.749 19.000 0.064 0.000 1.303 179 A HN 0.007 nan 8.150 nan 0.000 0.444 180 T N 1.136 115.702 114.554 0.020 0.000 2.867 180 T HA 0.247 4.597 4.350 -0.000 0.000 0.290 180 T C 0.185 174.843 174.700 -0.071 0.000 1.025 180 T CA 0.525 62.620 62.100 -0.009 0.000 1.146 180 T CB -0.413 68.453 68.868 -0.004 0.000 1.024 180 T HN 0.660 nan 8.240 nan 0.000 0.519 181 V N 5.476 125.340 119.914 -0.083 0.000 2.408 181 V HA 0.163 4.283 4.120 -0.000 0.000 0.267 181 V C 1.618 177.663 176.094 -0.082 0.000 1.047 181 V CA -0.002 62.212 62.300 -0.142 0.000 0.937 181 V CB 0.795 32.574 31.823 -0.073 0.000 0.999 181 V HN 1.170 nan 8.190 nan 0.000 0.472 182 T N -0.243 114.264 114.554 -0.078 0.000 3.037 182 T HA 0.171 4.521 4.350 -0.000 0.000 0.252 182 T C 0.311 175.002 174.700 -0.015 0.000 1.073 182 T CA 0.206 62.284 62.100 -0.037 0.000 1.091 182 T CB 0.373 69.223 68.868 -0.029 0.000 0.935 182 T HN 0.577 nan 8.240 nan 0.000 0.488 183 D N -0.572 119.823 120.400 -0.008 0.000 2.622 183 D HA 0.582 5.222 4.640 -0.000 0.000 0.255 183 D C -1.784 174.543 176.300 0.045 0.000 1.246 183 D CA -0.734 53.279 54.000 0.021 0.000 0.795 183 D CB 2.043 42.860 40.800 0.028 0.000 1.369 183 D HN 0.230 nan 8.370 nan 0.000 0.425 184 I N 0.644 121.244 120.570 0.051 0.000 2.656 184 I HA 0.706 4.876 4.170 -0.000 0.000 0.292 184 I C -0.824 175.327 176.117 0.058 0.000 1.144 184 I CA -0.897 60.437 61.300 0.057 0.000 1.038 184 I CB 2.127 40.137 38.000 0.017 0.000 1.244 184 I HN 0.421 nan 8.210 nan 0.000 0.420 185 A N 6.630 129.492 122.820 0.070 0.000 2.393 185 A HA 0.836 5.156 4.320 -0.000 0.000 0.306 185 A C -0.960 176.658 177.584 0.056 0.000 1.050 185 A CA -0.469 51.607 52.037 0.064 0.000 0.724 185 A CB 1.213 20.258 19.000 0.075 0.000 1.248 185 A HN 0.648 nan 8.150 nan 0.000 0.424 186 I N 3.261 123.850 120.570 0.031 0.000 2.331 186 I HA 0.275 4.445 4.170 -0.000 0.000 0.292 186 I C -0.330 175.838 176.117 0.086 0.000 0.998 186 I CA -0.358 60.960 61.300 0.029 0.000 1.267 186 I CB 1.285 39.245 38.000 -0.067 0.000 1.386 186 I HN 0.475 nan 8.210 nan 0.000 0.476 187 I N 6.216 126.860 120.570 0.124 0.000 2.337 187 I HA 0.141 4.311 4.170 -0.000 0.000 0.291 187 I C 0.432 176.641 176.117 0.152 0.000 1.046 187 I CA -0.012 61.370 61.300 0.136 0.000 1.324 187 I CB 0.397 38.491 38.000 0.156 0.000 1.409 187 I HN 0.683 nan 8.210 nan 0.000 0.494 188 D N 4.275 124.755 120.400 0.132 0.000 3.740 188 D HA -0.287 4.352 4.640 -0.000 0.000 0.147 188 D C 1.440 177.827 176.300 0.146 0.000 0.885 188 D CA 1.540 55.619 54.000 0.132 0.000 1.051 188 D CB -0.254 40.630 40.800 0.139 0.000 0.480 188 D HN 0.566 nan 8.370 nan 0.000 0.469 189 R N 1.082 121.673 120.500 0.152 0.000 2.276 189 R HA 0.248 4.588 4.340 -0.000 0.000 0.203 189 R C 1.556 178.019 176.300 0.272 0.000 1.017 189 R CA 1.014 57.216 56.100 0.170 0.000 1.010 189 R CB 0.153 30.516 30.300 0.105 0.000 0.900 189 R HN 0.686 nan 8.270 nan 0.000 0.469 190 G N 0.985 109.949 108.800 0.272 0.000 2.148 190 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.203 190 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.203 190 G C 0.858 175.938 174.900 0.301 0.000 0.993 190 G CA 0.090 45.432 45.100 0.403 0.000 0.661 190 G HN 0.264 nan 8.290 nan 0.000 0.518 191 R N -0.230 120.352 120.500 0.136 0.000 2.120 191 R HA -0.025 4.315 4.340 -0.000 0.000 0.234 191 R C 0.480 176.886 176.300 0.176 0.000 1.123 191 R CA 1.141 57.249 56.100 0.013 0.000 0.975 191 R CB -0.147 29.971 30.300 -0.303 0.000 0.866 191 R HN 0.408 nan 8.270 nan 0.000 0.446 192 N N 0.487 119.349 118.700 0.271 0.000 2.405 192 N HA 0.246 4.986 4.740 -0.000 0.000 0.299 192 N C -0.419 175.257 175.510 0.276 0.000 1.075 192 N CA -0.279 52.951 53.050 0.300 0.000 0.884 192 N CB 2.368 41.034 38.487 0.299 0.000 1.194 192 N HN -0.131 nan 8.380 nan 0.000 0.491 193 V N -1.062 119.035 119.914 0.306 0.000 3.102 193 V HA 0.710 4.830 4.120 -0.000 0.000 0.312 193 V C -0.673 175.632 176.094 0.353 0.000 1.135 193 V CA -0.938 61.519 62.300 0.262 0.000 1.022 193 V CB 1.897 33.831 31.823 0.185 0.000 1.056 193 V HN 0.406 nan 8.190 nan 0.000 0.436 194 L N 2.480 123.873 121.223 0.282 0.000 2.362 194 L HA 0.843 5.183 4.340 -0.000 0.000 0.271 194 L C -0.026 177.034 176.870 0.316 0.000 1.002 194 L CA -0.316 54.707 54.840 0.306 0.000 0.818 194 L CB 2.334 44.492 42.059 0.164 0.000 1.298 194 L HN 1.047 nan 8.230 nan 0.000 0.420 195 S N 1.320 117.280 115.700 0.434 0.000 2.526 195 S HA 0.923 5.393 4.470 -0.000 0.000 0.293 195 S C -0.665 174.125 174.600 0.317 0.000 1.092 195 S CA -0.741 57.702 58.200 0.405 0.000 0.980 195 S CB 2.137 65.739 63.200 0.669 0.000 1.048 195 S HN 0.711 nan 8.310 nan 0.000 0.483 196 A N 1.270 124.162 122.820 0.120 0.000 2.330 196 A HA 0.941 5.261 4.320 -0.000 0.000 0.329 196 A C -0.058 177.429 177.584 -0.161 0.000 1.135 196 A CA -0.796 51.251 52.037 0.017 0.000 0.817 196 A CB 1.589 20.586 19.000 -0.004 0.000 1.269 196 A HN 1.377 nan 8.150 nan 0.000 0.469 197 S N -0.037 115.566 115.700 -0.160 0.000 2.550 197 S HA 0.426 4.896 4.470 -0.000 0.000 0.270 197 S C 0.269 174.839 174.600 -0.051 0.000 1.145 197 S CA -0.637 57.433 58.200 -0.218 0.000 0.852 197 S CB 0.770 63.676 63.200 -0.490 0.000 1.119 197 S HN 0.646 nan 8.310 nan 0.000 0.465 198 L N 2.098 123.306 121.223 -0.024 0.000 2.549 198 L HA -0.009 4.331 4.340 -0.000 0.000 0.230 198 L C 1.627 178.540 176.870 0.073 0.000 1.162 198 L CA 1.158 56.018 54.840 0.033 0.000 0.834 198 L CB -0.610 41.468 42.059 0.033 0.000 0.947 198 L HN 0.783 nan 8.230 nan 0.000 0.452 199 D N -0.331 120.117 120.400 0.080 0.000 2.363 199 D HA -0.046 4.594 4.640 -0.000 0.000 0.226 199 D C 1.500 177.885 176.300 0.142 0.000 1.020 199 D CA 0.885 54.963 54.000 0.130 0.000 0.892 199 D CB 0.041 40.938 40.800 0.161 0.000 0.900 199 D HN 0.234 nan 8.370 nan 0.000 0.531 200 G N -0.379 108.496 108.800 0.126 0.000 2.175 200 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.244 200 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.244 200 G C 0.369 175.342 174.900 0.122 0.000 0.982 200 G CA 0.423 45.604 45.100 0.135 0.000 0.641 200 G HN 0.855 nan 8.290 nan 0.000 0.527 201 T N -1.134 113.499 114.554 0.132 0.000 2.918 201 T HA 0.767 5.117 4.350 -0.000 0.000 0.286 201 T C -0.372 174.441 174.700 0.189 0.000 1.026 201 T CA -0.878 61.308 62.100 0.143 0.000 1.031 201 T CB 2.380 71.331 68.868 0.138 0.000 1.046 201 T HN 0.546 nan 8.240 nan 0.000 0.479 202 I N 1.951 122.623 120.570 0.170 0.000 2.382 202 I HA 0.422 4.592 4.170 -0.000 0.000 0.285 202 I C 0.421 176.684 176.117 0.244 0.000 1.007 202 I CA -0.658 60.764 61.300 0.202 0.000 1.142 202 I CB 1.461 39.507 38.000 0.077 0.000 1.289 202 I HN 0.513 nan 8.210 nan 0.000 0.453 203 R N 4.771 125.383 120.500 0.186 0.000 2.312 203 R HA 0.585 4.925 4.340 -0.000 0.000 0.311 203 R C -0.925 175.336 176.300 -0.064 0.000 1.004 203 R CA -1.032 54.982 56.100 -0.143 0.000 0.902 203 R CB 1.583 31.504 30.300 -0.631 0.000 1.073 203 R HN 0.388 nan 8.270 nan 0.000 0.457 204 L N 4.093 125.276 121.223 -0.066 0.000 2.264 204 L HA 0.395 4.734 4.340 -0.000 0.000 0.289 204 L C -1.503 175.329 176.870 -0.063 0.000 1.044 204 L CA -0.230 54.667 54.840 0.095 0.000 0.807 204 L CB 0.435 42.627 42.059 0.223 0.000 1.192 204 L HN 0.491 nan 8.230 nan 0.000 0.425 205 W N 3.832 125.205 121.300 0.122 0.000 2.627 205 W HA 0.552 5.212 4.660 0.000 0.000 0.339 205 W C -0.016 176.578 176.519 0.126 0.000 1.058 205 W CA -0.530 56.873 57.345 0.098 0.000 1.223 205 W CB 1.059 30.572 29.460 0.088 0.000 1.389 205 W HN 0.389 nan 8.180 nan 0.000 0.541 206 E N 1.056 121.473 120.200 0.362 0.000 2.166 206 E HA 0.260 4.610 4.350 -0.000 0.000 0.275 206 E C -0.025 176.713 176.600 0.228 0.000 0.941 206 E CA -0.197 56.377 56.400 0.290 0.000 0.784 206 E CB 1.717 31.581 29.700 0.272 0.000 1.115 206 E HN 0.666 nan 8.360 nan 0.000 0.399 207 C N 2.671 122.060 119.300 0.148 0.000 2.507 207 C HA 0.092 4.552 4.460 -0.000 0.000 0.280 207 C C 2.246 177.239 174.990 0.005 0.000 1.345 207 C CA 0.670 59.730 59.018 0.069 0.000 1.736 207 C CB -0.817 26.947 27.740 0.041 0.000 2.060 207 C HN 0.899 nan 8.230 nan 0.000 0.498 208 G N -0.097 108.693 108.800 -0.017 0.000 2.476 208 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 208 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 208 G C 1.771 176.673 174.900 0.004 0.000 1.164 208 G CA 1.972 47.053 45.100 -0.032 0.000 0.768 208 G HN 0.478 nan 8.290 nan 0.000 0.560 209 T N -0.369 114.214 114.554 0.048 0.000 3.057 209 T HA 0.337 4.687 4.350 -0.000 0.000 0.254 209 T C 1.815 176.561 174.700 0.077 0.000 1.094 209 T CA 1.275 63.411 62.100 0.060 0.000 1.088 209 T CB -0.511 68.406 68.868 0.081 0.000 0.934 209 T HN 1.189 nan 8.240 nan 0.000 0.497 210 G N 2.130 110.990 108.800 0.099 0.000 2.179 210 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.257 210 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.257 210 G C 0.287 175.353 174.900 0.277 0.000 1.010 210 G CA 0.868 46.041 45.100 0.122 0.000 0.736 210 G HN 0.960 nan 8.290 nan 0.000 0.513 211 T N -2.841 111.892 114.554 0.299 0.000 2.940 211 T HA 0.675 5.025 4.350 -0.000 0.000 0.288 211 T C 0.101 174.932 174.700 0.218 0.000 1.033 211 T CA 0.060 62.324 62.100 0.273 0.000 1.033 211 T CB 2.165 71.098 68.868 0.108 0.000 1.079 211 T HN 0.244 nan 8.240 nan 0.000 0.496 212 T N 2.487 116.935 114.554 -0.176 0.000 2.761 212 T HA 0.300 4.650 4.350 -0.000 0.000 0.296 212 T C 1.428 175.975 174.700 -0.256 0.000 0.934 212 T CA -0.509 61.266 62.100 -0.541 0.000 1.091 212 T CB -0.177 68.163 68.868 -0.880 0.000 0.896 212 T HN 0.680 nan 8.240 nan 0.000 0.515 213 I N -0.129 120.343 120.570 -0.164 0.000 3.860 213 I HA 0.400 4.570 4.170 -0.000 0.000 0.319 213 I C 0.647 176.716 176.117 -0.079 0.000 1.279 213 I CA 0.077 61.326 61.300 -0.085 0.000 1.220 213 I CB 0.312 38.307 38.000 -0.008 0.000 1.027 213 I HN 0.513 nan 8.210 nan 0.000 0.428 214 H N 0.607 119.502 119.070 -0.292 0.000 3.121 214 H HA 0.338 4.894 4.556 -0.000 0.000 0.337 214 H C -1.464 173.588 175.328 -0.460 0.000 1.198 214 H CA -0.335 55.473 56.048 -0.399 0.000 1.274 214 H CB 2.380 31.851 29.762 -0.486 0.000 1.954 214 H HN -0.030 nan 8.280 nan 0.000 0.531 215 T N 5.342 119.404 114.554 -0.819 0.000 2.815 215 T HA 0.389 4.739 4.350 -0.000 0.000 0.289 215 T C -0.412 173.949 174.700 -0.564 0.000 1.000 215 T CA -0.414 61.378 62.100 -0.513 0.000 0.958 215 T CB 0.082 68.716 68.868 -0.391 0.000 0.944 215 T HN 0.195 nan 8.240 nan 0.000 0.442 216 F N 3.347 123.218 119.950 -0.130 0.000 2.399 216 F HA 0.662 5.189 4.527 -0.000 0.000 0.328 216 F C 0.859 176.560 175.800 -0.164 0.000 1.084 216 F CA -0.795 57.106 58.000 -0.166 0.000 1.053 216 F CB 1.270 40.048 39.000 -0.369 0.000 1.209 216 F HN 0.596 nan 8.300 nan 0.000 0.502 217 N N -0.957 117.791 118.700 0.080 0.000 3.116 217 N HA 0.255 4.995 4.740 -0.000 0.000 0.244 217 N C -1.525 174.127 175.510 0.236 0.000 1.485 217 N CA -1.317 51.806 53.050 0.122 0.000 0.884 217 N CB 0.855 39.364 38.487 0.037 0.000 1.415 217 N HN 0.538 nan 8.380 nan 0.000 0.524 218 R N 0.550 121.163 120.500 0.190 0.000 2.480 218 R HA -0.026 4.314 4.340 -0.000 0.000 0.303 218 R C 0.903 177.221 176.300 0.030 0.000 0.985 218 R CA 0.068 56.199 56.100 0.052 0.000 1.051 218 R CB 0.416 30.548 30.300 -0.281 0.000 0.935 218 R HN 0.849 nan 8.270 nan 0.000 0.410 219 K N 4.073 124.503 120.400 0.049 0.000 2.148 219 K HA -0.165 4.155 4.320 -0.000 0.000 0.204 219 K C 0.849 177.444 176.600 -0.008 0.000 1.050 219 K CA 1.850 58.155 56.287 0.029 0.000 0.942 219 K CB 0.217 32.741 32.500 0.040 0.000 0.724 219 K HN 0.706 nan 8.250 nan 0.000 0.446 220 E N -0.326 119.857 120.200 -0.028 0.000 2.216 220 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 220 E C -0.134 176.453 176.600 -0.022 0.000 0.988 220 E CA 0.483 56.867 56.400 -0.028 0.000 0.834 220 E CB 0.133 29.810 29.700 -0.039 0.000 0.772 220 E HN 0.207 nan 8.360 nan 0.000 0.479 221 N N -0.623 118.055 118.700 -0.037 0.000 2.793 221 N HA 0.097 4.837 4.740 -0.000 0.000 0.251 221 N C -2.620 172.858 175.510 -0.054 0.000 1.308 221 N CA -1.525 51.517 53.050 -0.015 0.000 0.781 221 N CB 1.105 39.596 38.487 0.006 0.000 1.439 221 N HN -0.273 nan 8.380 nan 0.000 0.562 222 P HA -0.048 nan 4.420 nan 0.000 0.229 222 P C 0.304 177.399 177.300 -0.342 0.000 1.150 222 P CA 1.071 64.021 63.100 -0.250 0.000 0.765 222 P CB 0.061 31.544 31.700 -0.362 0.000 0.783 223 H N -2.488 116.608 119.070 0.042 0.000 2.586 223 H HA 0.127 4.683 4.556 -0.000 0.000 0.273 223 H C 0.179 175.551 175.328 0.073 0.000 0.997 223 H CA -0.127 55.954 56.048 0.054 0.000 1.177 223 H CB 0.000 29.785 29.762 0.039 0.000 1.471 223 H HN 0.134 nan 8.280 nan 0.000 0.538 224 D N 1.694 122.176 120.400 0.136 0.000 2.342 224 D HA 0.081 4.721 4.640 -0.000 0.000 0.260 224 D C 0.731 177.193 176.300 0.269 0.000 1.278 224 D CA -0.038 54.053 54.000 0.151 0.000 0.910 224 D CB 0.374 41.185 40.800 0.018 0.000 1.079 224 D HN 0.301 nan 8.370 nan 0.000 0.496 225 G N 2.460 111.384 108.800 0.207 0.000 2.559 225 G HA2 0.303 4.263 3.960 -0.000 0.000 0.235 225 G HA3 0.303 4.263 3.960 -0.000 0.000 0.235 225 G C -0.168 174.818 174.900 0.143 0.000 1.266 225 G CA -0.388 44.808 45.100 0.160 0.000 0.847 225 G HN 0.401 nan 8.290 nan 0.000 0.583 226 V N 2.234 122.166 119.914 0.030 0.000 2.398 226 V HA 0.188 4.308 4.120 -0.000 0.000 0.286 226 V C 0.616 176.670 176.094 -0.067 0.000 1.026 226 V CA -0.567 61.660 62.300 -0.122 0.000 0.868 226 V CB 1.426 33.151 31.823 -0.163 0.000 0.982 226 V HN 0.883 nan 8.190 nan 0.000 0.443 227 N N 1.988 120.647 118.700 -0.068 0.000 2.402 227 N HA 0.066 4.806 4.740 -0.000 0.000 0.174 227 N C 0.458 175.956 175.510 -0.021 0.000 1.027 227 N CA 0.305 53.340 53.050 -0.025 0.000 0.891 227 N CB 0.442 38.927 38.487 -0.003 0.000 1.016 227 N HN 0.577 nan 8.380 nan 0.000 0.439 228 S N -0.180 115.496 115.700 -0.040 0.000 2.541 228 S HA 0.669 5.139 4.470 -0.000 0.000 0.271 228 S C -1.738 172.855 174.600 -0.013 0.000 1.133 228 S CA -0.895 57.302 58.200 -0.005 0.000 0.876 228 S CB 0.802 64.013 63.200 0.019 0.000 1.105 228 S HN 0.204 nan 8.310 nan 0.000 0.470 229 I N 0.613 121.200 120.570 0.027 0.000 2.969 229 I HA 1.018 5.188 4.170 -0.000 0.000 0.307 229 I C -0.833 175.332 176.117 0.081 0.000 1.149 229 I CA -1.187 60.137 61.300 0.039 0.000 1.008 229 I CB 1.962 39.979 38.000 0.028 0.000 1.232 229 I HN 0.739 nan 8.210 nan 0.000 0.435 230 A N 4.067 126.947 122.820 0.100 0.000 2.520 230 A HA 0.785 5.105 4.320 -0.000 0.000 0.298 230 A C -1.744 175.934 177.584 0.155 0.000 1.051 230 A CA -0.531 51.587 52.037 0.136 0.000 0.690 230 A CB 1.837 20.929 19.000 0.153 0.000 1.281 230 A HN 0.781 nan 8.150 nan 0.000 0.402 231 L N 2.562 123.872 121.223 0.146 0.000 2.322 231 L HA 0.936 5.276 4.340 -0.000 0.000 0.279 231 L C -0.785 176.215 176.870 0.217 0.000 1.036 231 L CA -0.328 54.581 54.840 0.116 0.000 0.807 231 L CB 1.019 43.121 42.059 0.073 0.000 1.226 231 L HN 0.788 nan 8.230 nan 0.000 0.433 232 F N 2.769 122.761 119.950 0.070 0.000 2.664 232 F HA 0.792 5.319 4.527 -0.000 0.000 0.317 232 F C -1.445 174.414 175.800 0.097 0.000 1.108 232 F CA -1.232 56.800 58.000 0.053 0.000 0.957 232 F CB 1.182 40.181 39.000 -0.001 0.000 1.365 232 F HN 0.101 nan 8.300 nan 0.000 0.475 233 V N 2.342 122.408 119.914 0.253 0.000 2.370 233 V HA 0.409 4.529 4.120 -0.000 0.000 0.279 233 V C 0.955 177.191 176.094 0.237 0.000 1.029 233 V CA 0.293 62.683 62.300 0.150 0.000 0.870 233 V CB 0.794 32.688 31.823 0.117 0.000 0.984 233 V HN 1.125 nan 8.190 nan 0.000 0.451 234 G N 3.543 112.455 108.800 0.186 0.000 2.394 234 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.215 234 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.215 234 G C 0.687 175.640 174.900 0.088 0.000 1.165 234 G CA 1.116 46.303 45.100 0.144 0.000 0.784 234 G HN 0.632 nan 8.290 nan 0.000 0.535 235 T N -0.055 114.540 114.554 0.069 0.000 2.956 235 T HA 0.394 4.744 4.350 -0.000 0.000 0.312 235 T C -1.228 173.503 174.700 0.051 0.000 1.151 235 T CA -0.328 61.801 62.100 0.048 0.000 1.024 235 T CB 1.754 70.644 68.868 0.037 0.000 1.140 235 T HN 0.077 nan 8.240 nan 0.000 0.473 236 D N 3.322 123.754 120.400 0.053 0.000 2.538 236 D HA 0.225 4.865 4.640 -0.000 0.000 0.234 236 D C 0.204 176.538 176.300 0.057 0.000 1.191 236 D CA -0.395 53.640 54.000 0.058 0.000 0.828 236 D CB -0.267 40.564 40.800 0.052 0.000 0.981 236 D HN 0.640 nan 8.370 nan 0.000 0.490 237 R N -0.959 119.580 120.500 0.065 0.000 2.664 237 R HA 0.539 4.879 4.340 -0.000 0.000 0.266 237 R C -1.492 174.864 176.300 0.093 0.000 1.046 237 R CA -0.996 55.139 56.100 0.059 0.000 0.885 237 R CB 1.066 31.385 30.300 0.032 0.000 1.254 237 R HN 0.043 nan 8.270 nan 0.000 0.465 238 Q N 2.142 121.981 119.800 0.065 0.000 2.268 238 Q HA 0.399 4.739 4.340 -0.000 0.000 0.266 238 Q C -1.629 174.336 176.000 -0.059 0.000 1.006 238 Q CA -1.011 54.786 55.803 -0.010 0.000 0.824 238 Q CB 1.661 30.361 28.738 -0.063 0.000 1.306 238 Q HN 0.502 nan 8.270 nan 0.000 0.424 239 L N 3.685 124.898 121.223 -0.017 0.000 2.395 239 L HA 0.376 4.716 4.340 -0.000 0.000 0.269 239 L C -0.037 176.750 176.870 -0.139 0.000 1.133 239 L CA -0.111 54.796 54.840 0.112 0.000 0.812 239 L CB 0.089 42.378 42.059 0.383 0.000 1.125 239 L HN 0.880 nan 8.230 nan 0.000 0.452 240 H N -0.693 118.331 119.070 -0.077 0.000 2.702 240 H HA -0.178 4.378 4.556 -0.000 0.000 0.328 240 H C -0.652 174.642 175.328 -0.057 0.000 1.111 240 H CA 0.733 56.744 56.048 -0.062 0.000 1.109 240 H CB -1.684 28.064 29.762 -0.023 0.000 1.606 240 H HN 0.877 nan 8.280 nan 0.000 0.399 241 E N 0.794 120.916 120.200 -0.131 0.000 2.321 241 E HA 0.460 4.810 4.350 -0.000 0.000 0.278 241 E C 0.538 177.039 176.600 -0.166 0.000 0.902 241 E CA -0.531 55.765 56.400 -0.174 0.000 0.758 241 E CB 1.350 30.938 29.700 -0.186 0.000 1.213 241 E HN 0.320 nan 8.360 nan 0.000 0.426 242 I N 2.343 122.812 120.570 -0.168 0.000 3.428 242 I HA 0.182 4.352 4.170 -0.000 0.000 0.286 242 I C 0.042 176.103 176.117 -0.094 0.000 1.287 242 I CA 0.575 61.807 61.300 -0.113 0.000 1.396 242 I CB 0.341 38.293 38.000 -0.081 0.000 1.062 242 I HN 0.276 nan 8.210 nan 0.000 0.471 243 S N -1.134 114.486 115.700 -0.133 0.000 2.661 243 S HA 0.612 5.082 4.470 -0.000 0.000 0.285 243 S C -0.105 174.427 174.600 -0.114 0.000 1.138 243 S CA -0.076 58.062 58.200 -0.103 0.000 0.855 243 S CB 1.020 64.174 63.200 -0.076 0.000 1.136 243 S HN 0.311 nan 8.310 nan 0.000 0.484 244 T N 0.048 114.563 114.554 -0.064 0.000 2.922 244 T HA 0.731 5.081 4.350 -0.000 0.000 0.285 244 T C -0.042 174.646 174.700 -0.019 0.000 1.005 244 T CA -0.505 61.569 62.100 -0.043 0.000 1.061 244 T CB 1.275 70.133 68.868 -0.018 0.000 1.007 244 T HN 0.549 nan 8.240 nan 0.000 0.502 245 S N 0.585 116.295 115.700 0.017 0.000 2.595 245 S HA 0.706 5.176 4.470 -0.000 0.000 0.281 245 S C -0.987 173.666 174.600 0.089 0.000 1.117 245 S CA -0.952 57.260 58.200 0.019 0.000 0.873 245 S CB 1.310 64.523 63.200 0.022 0.000 1.108 245 S HN 1.003 nan 8.310 nan 0.000 0.477 246 K N 1.746 122.194 120.400 0.080 0.000 2.400 246 K HA 0.821 5.141 4.320 -0.000 0.000 0.249 246 K C -0.616 176.026 176.600 0.069 0.000 1.069 246 K CA -0.837 55.557 56.287 0.179 0.000 0.965 246 K CB 0.332 32.926 32.500 0.156 0.000 1.365 246 K HN 0.473 nan 8.250 nan 0.000 0.539 247 K N -1.076 119.343 120.400 0.031 0.000 2.318 247 K HA 0.407 4.727 4.320 -0.000 0.000 0.265 247 K C -1.410 175.135 176.600 -0.090 0.000 1.055 247 K CA -0.817 55.491 56.287 0.035 0.000 0.896 247 K CB 1.616 34.153 32.500 0.062 0.000 1.479 247 K HN 0.698 nan 8.250 nan 0.000 0.449 248 N N 0.739 119.352 118.700 -0.145 0.000 2.400 248 N HA 0.223 4.963 4.740 -0.000 0.000 0.288 248 N C -1.262 174.149 175.510 -0.165 0.000 1.024 248 N CA -0.790 52.135 53.050 -0.210 0.000 0.894 248 N CB 1.206 39.494 38.487 -0.331 0.000 1.173 248 N HN 0.373 nan 8.380 nan 0.000 0.487 249 N N 2.339 120.958 118.700 -0.134 0.000 2.454 249 N HA -0.014 4.726 4.740 -0.000 0.000 0.260 249 N C 0.066 175.504 175.510 -0.120 0.000 1.218 249 N CA 0.177 53.160 53.050 -0.112 0.000 0.904 249 N CB 0.403 38.849 38.487 -0.068 0.000 1.065 249 N HN 0.495 nan 8.380 nan 0.000 0.462 250 L N 1.338 122.466 121.223 -0.158 0.000 4.291 250 L HA -0.238 4.102 4.340 -0.000 0.000 0.413 250 L C -0.546 176.221 176.870 -0.172 0.000 1.162 250 L CA 1.203 55.993 54.840 -0.083 0.000 0.961 250 L CB -1.579 40.530 42.059 0.083 0.000 2.095 250 L HN 0.676 nan 8.230 nan 0.000 0.838 251 E N -0.713 119.228 120.200 -0.432 0.000 2.166 251 E HA 0.598 4.948 4.350 -0.000 0.000 0.275 251 E C -0.686 175.560 176.600 -0.590 0.000 0.941 251 E CA -0.523 55.705 56.400 -0.287 0.000 0.784 251 E CB 0.933 30.571 29.700 -0.105 0.000 1.115 251 E HN 0.112 nan 8.360 nan 0.000 0.399 252 F N 0.949 120.963 119.950 0.108 0.000 2.646 252 F HA 0.365 4.892 4.527 0.000 0.000 0.364 252 F C 0.896 176.763 175.800 0.111 0.000 1.137 252 F CA -0.627 57.432 58.000 0.099 0.000 1.085 252 F CB 1.817 40.867 39.000 0.083 0.000 1.331 252 F HN 0.732 nan 8.300 nan 0.000 0.472 253 G N 0.928 109.858 108.800 0.217 0.000 2.137 253 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.237 253 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.237 253 G C 0.925 175.926 174.900 0.169 0.000 1.002 253 G CA 0.640 45.853 45.100 0.188 0.000 0.702 253 G HN 0.758 nan 8.290 nan 0.000 0.515 254 T N -3.017 111.652 114.554 0.191 0.000 2.985 254 T HA 0.115 4.465 4.350 -0.000 0.000 0.266 254 T C 1.295 176.093 174.700 0.164 0.000 1.076 254 T CA 0.973 63.178 62.100 0.174 0.000 1.135 254 T CB 0.086 69.072 68.868 0.196 0.000 0.890 254 T HN 0.873 nan 8.240 nan 0.000 0.480 255 Y N 2.839 123.170 120.300 0.053 0.000 2.717 255 Y HA 0.344 4.894 4.550 -0.000 0.000 0.330 255 Y C 1.468 177.267 175.900 -0.169 0.000 1.217 255 Y CA 0.586 58.538 58.100 -0.248 0.000 1.506 255 Y CB -0.221 37.910 38.460 -0.548 0.000 1.268 255 Y HN 0.463 nan 8.280 nan 0.000 0.561 256 G N 3.763 111.992 108.800 -0.952 0.000 2.184 256 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.264 256 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.264 256 G C 0.023 174.764 174.900 -0.265 0.000 0.975 256 G CA 0.114 44.863 45.100 -0.585 0.000 0.642 256 G HN 0.483 nan 8.290 nan 0.000 0.536 257 K N -0.039 120.186 120.400 -0.291 0.000 2.143 257 K HA 0.638 4.958 4.320 -0.000 0.000 0.272 257 K C -0.597 175.707 176.600 -0.493 0.000 1.001 257 K CA -0.371 55.772 56.287 -0.240 0.000 0.915 257 K CB 1.100 33.529 32.500 -0.119 0.000 1.047 257 K HN 0.313 nan 8.250 nan 0.000 0.458 258 Y N -0.451 119.495 120.300 -0.589 0.000 2.499 258 Y HA 0.396 4.946 4.550 -0.000 0.000 0.347 258 Y C -0.212 175.387 175.900 -0.503 0.000 0.987 258 Y CA -1.100 56.594 58.100 -0.676 0.000 1.044 258 Y CB 2.323 40.023 38.460 -1.266 0.000 1.245 258 Y HN 0.218 nan 8.280 nan 0.000 0.461 259 V N 5.272 125.095 119.914 -0.151 0.000 2.448 259 V HA 0.575 4.695 4.120 -0.000 0.000 0.295 259 V C -0.869 175.279 176.094 0.091 0.000 1.025 259 V CA -0.704 61.561 62.300 -0.058 0.000 0.859 259 V CB 0.958 32.675 31.823 -0.176 0.000 0.988 259 V HN 0.649 nan 8.190 nan 0.000 0.431 260 I N 6.479 127.140 120.570 0.150 0.000 2.359 260 I HA 0.753 4.923 4.170 -0.000 0.000 0.294 260 I C 0.262 176.433 176.117 0.090 0.000 0.987 260 I CA -0.457 60.936 61.300 0.154 0.000 1.225 260 I CB 1.730 39.833 38.000 0.172 0.000 1.366 260 I HN 0.716 nan 8.210 nan 0.000 0.466 261 A N 4.483 127.349 122.820 0.076 0.000 2.335 261 A HA 0.752 5.072 4.320 -0.000 0.000 0.304 261 A C -0.062 177.448 177.584 -0.123 0.000 1.118 261 A CA -0.556 51.456 52.037 -0.043 0.000 0.757 261 A CB 1.202 20.182 19.000 -0.034 0.000 1.188 261 A HN 0.844 nan 8.150 nan 0.000 0.460 262 G N 1.454 110.162 108.800 -0.153 0.000 2.325 262 G HA2 0.538 4.498 3.960 -0.000 0.000 0.298 262 G HA3 0.538 4.498 3.960 -0.000 0.000 0.298 262 G C -0.562 174.231 174.900 -0.178 0.000 1.134 262 G CA -0.199 44.842 45.100 -0.099 0.000 0.876 262 G HN 0.812 nan 8.290 nan 0.000 0.452 263 H N 0.943 120.044 119.070 0.051 0.000 2.567 263 H HA 0.274 4.830 4.556 -0.000 0.000 0.345 263 H C 1.405 176.782 175.328 0.081 0.000 1.169 263 H CA -0.789 55.298 56.048 0.066 0.000 1.227 263 H CB 2.252 32.055 29.762 0.068 0.000 1.607 263 H HN 0.170 nan 8.280 nan 0.000 0.534 264 V N 0.727 120.773 119.914 0.220 0.000 2.392 264 V HA -0.282 3.838 4.120 -0.000 0.000 0.249 264 V C 2.164 178.357 176.094 0.165 0.000 1.059 264 V CA 2.403 64.799 62.300 0.160 0.000 1.051 264 V CB -0.726 31.177 31.823 0.132 0.000 0.658 264 V HN 0.929 nan 8.190 nan 0.000 0.455 265 S N -0.056 115.744 115.700 0.167 0.000 2.442 265 S HA 0.045 4.515 4.470 -0.000 0.000 0.236 265 S C 1.769 176.469 174.600 0.168 0.000 1.007 265 S CA 1.328 59.607 58.200 0.132 0.000 0.965 265 S CB 0.069 63.317 63.200 0.080 0.000 0.773 265 S HN 1.264 nan 8.310 nan 0.000 0.504 266 G N 0.277 109.216 108.800 0.232 0.000 2.194 266 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.236 266 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.236 266 G C 0.264 175.345 174.900 0.302 0.000 0.987 266 G CA 0.187 45.489 45.100 0.337 0.000 0.635 266 G HN 1.584 nan 8.290 nan 0.000 0.520 267 V N -0.731 119.286 119.914 0.172 0.000 3.133 267 V HA 0.778 4.898 4.120 -0.000 0.000 0.305 267 V C 0.713 176.895 176.094 0.146 0.000 1.084 267 V CA -0.759 61.589 62.300 0.079 0.000 1.089 267 V CB 1.503 33.308 31.823 -0.030 0.000 1.073 267 V HN 0.391 nan 8.190 nan 0.000 0.477 268 I N 2.215 122.793 120.570 0.014 0.000 2.465 268 I HA 0.558 4.728 4.170 -0.000 0.000 0.291 268 I C 0.072 176.191 176.117 0.003 0.000 1.014 268 I CA -0.250 61.068 61.300 0.030 0.000 1.093 268 I CB 2.267 40.169 38.000 -0.164 0.000 1.267 268 I HN 1.010 nan 8.210 nan 0.000 0.431 269 T N 2.900 117.533 114.554 0.131 0.000 2.912 269 T HA 0.804 5.154 4.350 -0.000 0.000 0.288 269 T C -0.661 173.996 174.700 -0.072 0.000 1.030 269 T CA -0.775 61.326 62.100 0.001 0.000 1.020 269 T CB 1.972 70.900 68.868 0.101 0.000 1.056 269 T HN 0.189 nan 8.240 nan 0.000 0.480 270 V N 2.562 122.327 119.914 -0.247 0.000 2.540 270 V HA 0.493 4.613 4.120 -0.000 0.000 0.302 270 V C -1.094 174.809 176.094 -0.319 0.000 1.035 270 V CA -0.899 61.331 62.300 -0.117 0.000 0.873 270 V CB 1.335 33.182 31.823 0.039 0.000 0.992 270 V HN 1.032 nan 8.190 nan 0.000 0.428 271 H N 2.539 121.621 119.070 0.021 0.000 2.529 271 H HA 0.378 4.934 4.556 -0.000 0.000 0.348 271 H C 0.058 175.290 175.328 -0.160 0.000 1.079 271 H CA -0.592 55.424 56.048 -0.053 0.000 1.198 271 H CB 1.119 30.750 29.762 -0.219 0.000 1.521 271 H HN 0.569 nan 8.280 nan 0.000 0.514 272 N N 3.288 121.936 118.700 -0.087 0.000 2.406 272 N HA -0.040 4.700 4.740 -0.000 0.000 0.265 272 N C 0.779 176.143 175.510 -0.243 0.000 1.203 272 N CA 0.226 52.991 53.050 -0.476 0.000 0.945 272 N CB 0.785 39.052 38.487 -0.367 0.000 1.165 272 N HN 0.440 nan 8.380 nan 0.000 0.485 273 V N 4.696 124.419 119.914 -0.317 0.000 2.490 273 V HA -0.206 3.914 4.120 -0.000 0.000 0.250 273 V C 1.797 177.893 176.094 0.004 0.000 1.061 273 V CA 1.304 63.547 62.300 -0.096 0.000 1.064 273 V CB -0.910 30.843 31.823 -0.116 0.000 0.670 273 V HN 0.586 nan 8.190 nan 0.000 0.461 274 F N 2.097 121.929 119.950 -0.197 0.000 2.053 274 F HA -0.154 4.373 4.527 -0.000 0.000 0.292 274 F C 2.788 178.525 175.800 -0.106 0.000 1.125 274 F CA 1.820 59.749 58.000 -0.119 0.000 1.193 274 F CB -0.495 38.448 39.000 -0.096 0.000 0.996 274 F HN 0.199 nan 8.300 nan 0.000 0.470 275 S N -0.478 115.224 115.700 0.002 0.000 2.453 275 S HA -0.098 4.372 4.470 -0.000 0.000 0.231 275 S C 1.104 175.641 174.600 -0.104 0.000 1.005 275 S CA 0.912 59.079 58.200 -0.055 0.000 0.949 275 S CB -0.229 63.001 63.200 0.050 0.000 0.774 275 S HN 0.480 nan 8.310 nan 0.000 0.510 276 K N -0.320 120.032 120.400 -0.080 0.000 3.547 276 K HA -0.163 4.157 4.320 -0.000 0.000 0.309 276 K C -0.372 176.314 176.600 0.143 0.000 1.324 276 K CA 1.270 57.547 56.287 -0.017 0.000 0.988 276 K CB -2.251 30.078 32.500 -0.284 0.000 1.261 276 K HN 0.711 nan 8.250 nan 0.000 0.444 277 E N 1.553 121.809 120.200 0.093 0.000 2.414 277 E HA 0.006 4.356 4.350 -0.000 0.000 0.263 277 E C 0.378 177.064 176.600 0.144 0.000 1.000 277 E CA 0.114 56.578 56.400 0.106 0.000 0.914 277 E CB 0.439 30.177 29.700 0.063 0.000 0.948 277 E HN 0.119 nan 8.360 nan 0.000 0.444 278 Q N 2.528 122.405 119.800 0.129 0.000 2.323 278 Q HA 0.009 4.349 4.340 -0.000 0.000 0.257 278 Q C 0.654 176.635 176.000 -0.032 0.000 1.022 278 Q CA 0.041 55.831 55.803 -0.021 0.000 0.919 278 Q CB 0.974 29.689 28.738 -0.039 0.000 1.220 278 Q HN 0.567 nan 8.270 nan 0.000 0.427 279 T N 3.822 118.357 114.554 -0.032 0.000 3.009 279 T HA 0.214 4.564 4.350 -0.000 0.000 0.258 279 T C 0.472 175.155 174.700 -0.027 0.000 1.063 279 T CA 0.584 62.694 62.100 0.017 0.000 1.139 279 T CB 0.254 69.191 68.868 0.115 0.000 0.890 279 T HN 0.593 nan 8.240 nan 0.000 0.471 280 I N 0.792 121.316 120.570 -0.076 0.000 2.802 280 I HA 0.426 4.596 4.170 -0.000 0.000 0.298 280 I C -1.056 174.984 176.117 -0.128 0.000 1.176 280 I CA -1.017 60.229 61.300 -0.090 0.000 1.025 280 I CB 2.635 40.584 38.000 -0.086 0.000 1.243 280 I HN 0.026 nan 8.210 nan 0.000 0.424 281 Q N 5.528 125.254 119.800 -0.124 0.000 2.304 281 Q HA 0.589 4.929 4.340 -0.000 0.000 0.270 281 Q C -1.927 173.957 176.000 -0.193 0.000 1.035 281 Q CA -0.707 55.009 55.803 -0.145 0.000 0.781 281 Q CB 2.277 30.946 28.738 -0.114 0.000 1.261 281 Q HN 0.588 nan 8.270 nan 0.000 0.444 282 L N 5.911 126.948 121.223 -0.309 0.000 2.292 282 L HA 0.533 4.873 4.340 -0.000 0.000 0.284 282 L C -2.016 174.633 176.870 -0.368 0.000 1.065 282 L CA -2.056 52.464 54.840 -0.533 0.000 0.806 282 L CB 0.796 42.154 42.059 -1.167 0.000 1.175 282 L HN 0.489 nan 8.230 nan 0.000 0.431 283 P HA -0.040 nan 4.420 nan 0.000 0.271 283 P C -0.195 177.064 177.300 -0.067 0.000 1.218 283 P CA -0.317 62.725 63.100 -0.096 0.000 0.780 283 P CB 1.016 32.695 31.700 -0.035 0.000 0.901 284 S N 1.602 117.277 115.700 -0.042 0.000 4.120 284 S HA 0.021 4.491 4.470 -0.000 0.000 0.215 284 S C 1.369 175.865 174.600 -0.174 0.000 1.347 284 S CA -0.412 57.776 58.200 -0.021 0.000 0.889 284 S CB -1.183 62.043 63.200 0.043 0.000 1.585 284 S HN 0.417 nan 8.310 nan 0.000 0.447 285 K N 2.148 122.299 120.400 -0.415 0.000 2.209 285 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 285 K C 0.193 176.375 176.600 -0.695 0.000 1.048 285 K CA 1.549 57.440 56.287 -0.660 0.000 0.940 285 K CB -0.064 31.834 32.500 -1.004 0.000 0.729 285 K HN 0.641 nan 8.250 nan 0.000 0.451 286 F N 0.531 120.403 119.950 -0.131 0.000 2.664 286 F HA 0.221 4.748 4.527 -0.000 0.000 0.303 286 F C 0.254 176.022 175.800 -0.054 0.000 1.092 286 F CA -0.076 57.835 58.000 -0.148 0.000 1.305 286 F CB -0.068 38.740 39.000 -0.320 0.000 1.054 286 F HN -0.156 nan 8.300 nan 0.000 0.565 287 T N 0.630 115.214 114.554 0.050 0.000 3.946 287 T HA -0.221 4.129 4.350 -0.000 0.000 0.356 287 T C -0.098 174.674 174.700 0.120 0.000 0.758 287 T CA 0.675 62.817 62.100 0.070 0.000 1.911 287 T CB -2.482 66.414 68.868 0.046 0.000 1.835 287 T HN 0.656 nan 8.240 nan 0.000 0.807 288 C N -2.048 117.362 119.300 0.182 0.000 3.306 288 C HA 0.830 5.290 4.460 -0.000 0.000 0.335 288 C C 0.470 175.649 174.990 0.314 0.000 1.382 288 C CA -0.576 58.571 59.018 0.214 0.000 1.254 288 C CB 1.531 29.391 27.740 0.201 0.000 1.555 288 C HN 0.604 nan 8.230 nan 0.000 0.463 289 S N -0.026 115.828 115.700 0.256 0.000 2.549 289 S HA 0.233 4.703 4.470 -0.000 0.000 0.286 289 S C 0.247 175.018 174.600 0.284 0.000 1.314 289 S CA -0.053 58.288 58.200 0.235 0.000 1.062 289 S CB -0.126 63.164 63.200 0.150 0.000 0.865 289 S HN 1.559 nan 8.310 nan 0.000 0.498 290 C N 6.678 126.095 119.300 0.195 0.000 2.322 290 C HA 0.406 4.866 4.460 -0.000 0.000 0.343 290 C C 1.375 176.327 174.990 -0.063 0.000 1.190 290 C CA -0.802 58.150 59.018 -0.110 0.000 1.704 290 C CB -1.771 25.890 27.740 -0.132 0.000 2.293 290 C HN 0.970 nan 8.230 nan 0.000 0.523 291 N N 2.284 120.945 118.700 -0.065 0.000 2.333 291 N HA 0.042 4.782 4.740 -0.000 0.000 0.178 291 N C 0.208 175.717 175.510 -0.001 0.000 1.018 291 N CA 0.743 53.790 53.050 -0.004 0.000 0.882 291 N CB 0.202 38.704 38.487 0.026 0.000 0.984 291 N HN 0.686 nan 8.380 nan 0.000 0.434 292 S N -0.546 115.142 115.700 -0.020 0.000 2.542 292 S HA 0.617 5.087 4.470 -0.000 0.000 0.276 292 S C -2.054 172.571 174.600 0.041 0.000 1.148 292 S CA -0.802 57.422 58.200 0.040 0.000 0.886 292 S CB 0.430 63.688 63.200 0.097 0.000 1.109 292 S HN 0.076 nan 8.310 nan 0.000 0.458 293 L N 0.900 122.174 121.223 0.085 0.000 2.479 293 L HA 1.027 5.367 4.340 -0.000 0.000 0.255 293 L C -0.423 176.550 176.870 0.172 0.000 1.026 293 L CA -0.510 54.405 54.840 0.124 0.000 0.842 293 L CB 1.319 43.425 42.059 0.079 0.000 1.444 293 L HN 0.592 nan 8.230 nan 0.000 0.409 294 T N -0.255 114.427 114.554 0.213 0.000 2.885 294 T HA 0.719 5.069 4.350 -0.000 0.000 0.322 294 T C -1.551 173.271 174.700 0.203 0.000 1.387 294 T CA -0.365 61.874 62.100 0.231 0.000 1.041 294 T CB 1.649 70.693 68.868 0.295 0.000 1.287 294 T HN 0.648 nan 8.240 nan 0.000 0.491 295 V N 3.789 123.769 119.914 0.111 0.000 2.481 295 V HA 0.367 4.487 4.120 -0.000 0.000 0.286 295 V C 0.672 176.677 176.094 -0.148 0.000 1.042 295 V CA -0.861 61.420 62.300 -0.032 0.000 0.928 295 V CB 1.571 33.360 31.823 -0.057 0.000 0.986 295 V HN 0.915 nan 8.190 nan 0.000 0.462 296 D N 3.388 123.656 120.400 -0.220 0.000 2.472 296 D HA -0.015 4.625 4.640 -0.000 0.000 0.248 296 D C 1.199 177.032 176.300 -0.778 0.000 1.174 296 D CA 0.729 54.393 54.000 -0.560 0.000 0.883 296 D CB 1.664 42.366 40.800 -0.163 0.000 1.149 296 D HN 0.764 nan 8.370 nan 0.000 0.488 297 G N 3.696 111.592 108.800 -1.506 0.000 2.744 297 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.211 297 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.211 297 G C 1.209 175.957 174.900 -0.254 0.000 1.143 297 G CA 0.104 44.838 45.100 -0.611 0.000 0.788 297 G HN 0.548 nan 8.290 nan 0.000 0.534 298 N N -0.640 117.908 118.700 -0.254 0.000 2.407 298 N HA 0.069 4.809 4.740 -0.000 0.000 0.182 298 N C -0.020 175.450 175.510 -0.067 0.000 1.079 298 N CA -0.016 52.986 53.050 -0.079 0.000 0.882 298 N CB 0.465 38.946 38.487 -0.010 0.000 1.106 298 N HN 0.091 nan 8.380 nan 0.000 0.461 299 N N 0.179 118.821 118.700 -0.096 0.000 2.664 299 N HA 0.252 4.992 4.740 -0.000 0.000 0.268 299 N C -0.820 174.645 175.510 -0.075 0.000 1.222 299 N CA -0.230 52.804 53.050 -0.026 0.000 0.805 299 N CB 1.039 39.577 38.487 0.085 0.000 1.399 299 N HN 0.067 nan 8.380 nan 0.000 0.547 300 A N 2.477 125.195 122.820 -0.170 0.000 2.239 300 A HA -0.019 4.301 4.320 -0.000 0.000 0.209 300 A C 1.472 178.716 177.584 -0.567 0.000 1.171 300 A CA 0.412 52.229 52.037 -0.367 0.000 0.768 300 A CB -0.280 18.513 19.000 -0.345 0.000 0.790 300 A HN 0.643 nan 8.150 nan 0.000 0.478 301 N N -0.794 117.671 118.700 -0.391 0.000 2.453 301 N HA -0.057 4.683 4.740 -0.000 0.000 0.183 301 N C -0.668 174.438 175.510 -0.673 0.000 1.041 301 N CA 0.882 53.611 53.050 -0.535 0.000 0.900 301 N CB -0.136 38.038 38.487 -0.522 0.000 0.961 301 N HN 0.604 nan 8.380 nan 0.000 0.443 302 Y N 0.286 120.395 120.300 -0.318 0.000 2.352 302 Y HA 0.462 5.012 4.550 -0.000 0.000 0.339 302 Y C 0.489 176.109 175.900 -0.467 0.000 0.992 302 Y CA -1.145 56.749 58.100 -0.342 0.000 1.100 302 Y CB 1.190 39.461 38.460 -0.315 0.000 1.192 302 Y HN -0.139 nan 8.280 nan 0.000 0.458 303 I N -0.574 119.807 120.570 -0.315 0.000 2.892 303 I HA 0.711 4.881 4.170 -0.000 0.000 0.306 303 I C -1.910 173.958 176.117 -0.416 0.000 1.078 303 I CA -1.291 59.831 61.300 -0.296 0.000 1.032 303 I CB 2.382 40.334 38.000 -0.081 0.000 1.229 303 I HN 0.336 nan 8.210 nan 0.000 0.435 304 Y N 2.888 123.310 120.300 0.203 0.000 2.361 304 Y HA 0.825 5.375 4.550 -0.000 0.000 0.337 304 Y C -0.011 176.020 175.900 0.218 0.000 0.965 304 Y CA -0.852 57.384 58.100 0.226 0.000 1.091 304 Y CB 2.157 40.721 38.460 0.172 0.000 1.182 304 Y HN 0.847 nan 8.280 nan 0.000 0.450 305 A N 1.822 124.877 122.820 0.391 0.000 2.356 305 A HA 0.850 5.169 4.320 -0.000 0.000 0.310 305 A C -0.301 177.348 177.584 0.108 0.000 1.075 305 A CA -0.549 51.608 52.037 0.200 0.000 0.746 305 A CB 0.968 20.121 19.000 0.256 0.000 1.221 305 A HN 0.901 nan 8.150 nan 0.000 0.443 306 G N 0.676 109.440 108.800 -0.061 0.000 2.415 306 G HA2 0.596 4.556 3.960 -0.000 0.000 0.327 306 G HA3 0.596 4.556 3.960 -0.000 0.000 0.327 306 G C -1.087 173.718 174.900 -0.159 0.000 1.182 306 G CA -0.284 44.821 45.100 0.008 0.000 0.924 306 G HN 0.541 nan 8.290 nan 0.000 0.470 307 Y N 0.042 120.407 120.300 0.107 0.000 2.621 307 Y HA 0.364 4.914 4.550 0.000 0.000 0.334 307 Y C 1.439 177.385 175.900 0.077 0.000 1.074 307 Y CA -0.825 57.346 58.100 0.118 0.000 1.149 307 Y CB 2.019 40.570 38.460 0.153 0.000 1.302 307 Y HN 0.599 nan 8.280 nan 0.000 0.501 308 E N 1.173 121.526 120.200 0.255 0.000 2.268 308 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 308 E C 1.178 177.846 176.600 0.115 0.000 0.995 308 E CA 1.642 58.130 56.400 0.147 0.000 0.836 308 E CB -0.127 29.656 29.700 0.138 0.000 0.763 308 E HN 0.672 nan 8.360 nan 0.000 0.491 309 N N -0.699 118.080 118.700 0.133 0.000 2.336 309 N HA 0.060 4.800 4.740 -0.000 0.000 0.189 309 N C 1.086 176.626 175.510 0.049 0.000 1.113 309 N CA 0.905 54.001 53.050 0.077 0.000 0.858 309 N CB 0.458 38.986 38.487 0.068 0.000 0.970 309 N HN 0.199 nan 8.380 nan 0.000 0.471 310 G N -0.100 108.741 108.800 0.067 0.000 2.163 310 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.213 310 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.213 310 G C -0.243 174.671 174.900 0.024 0.000 0.991 310 G CA 0.148 45.278 45.100 0.051 0.000 0.653 310 G HN 0.467 nan 8.290 nan 0.000 0.518 311 M N 1.264 120.847 119.600 -0.028 0.000 2.188 311 M HA 0.708 5.188 4.480 -0.000 0.000 0.354 311 M C -0.109 176.225 176.300 0.058 0.000 1.342 311 M CA -1.137 54.059 55.300 -0.174 0.000 1.117 311 M CB 0.862 33.022 32.600 -0.734 0.000 1.670 311 M HN 0.424 nan 8.290 nan 0.000 0.466 312 L N 6.185 127.451 121.223 0.073 0.000 2.280 312 L HA 0.856 5.196 4.340 -0.000 0.000 0.287 312 L C -1.122 175.880 176.870 0.220 0.000 1.023 312 L CA -0.023 54.944 54.840 0.212 0.000 0.819 312 L CB 0.748 42.937 42.059 0.217 0.000 1.212 312 L HN 0.844 nan 8.230 nan 0.000 0.420 313 A N 4.880 127.884 122.820 0.307 0.000 2.350 313 A HA 0.665 4.985 4.320 -0.000 0.000 0.324 313 A C -0.907 176.817 177.584 0.234 0.000 1.118 313 A CA -0.591 51.553 52.037 0.178 0.000 0.783 313 A CB 1.160 20.285 19.000 0.208 0.000 1.236 313 A HN 0.737 nan 8.150 nan 0.000 0.457 314 Q N 1.164 121.017 119.800 0.089 0.000 2.307 314 Q HA 0.488 4.828 4.340 -0.000 0.000 0.262 314 Q C -1.894 174.045 176.000 -0.101 0.000 0.961 314 Q CA -0.337 55.521 55.803 0.091 0.000 0.882 314 Q CB 1.088 29.963 28.738 0.229 0.000 1.264 314 Q HN 0.717 nan 8.270 nan 0.000 0.446 315 W N 2.087 123.397 121.300 0.017 0.000 2.689 315 W HA 0.317 4.977 4.660 -0.000 0.000 0.340 315 W C -0.518 175.926 176.519 -0.124 0.000 1.060 315 W CA -0.610 56.726 57.345 -0.015 0.000 1.218 315 W CB 1.512 30.963 29.460 -0.013 0.000 1.410 315 W HN 0.507 nan 8.180 nan 0.000 0.528 316 D N 2.550 122.992 120.400 0.069 0.000 2.392 316 D HA 0.205 4.845 4.640 -0.000 0.000 0.228 316 D C 0.756 176.949 176.300 -0.178 0.000 1.074 316 D CA -0.218 53.600 54.000 -0.302 0.000 0.838 316 D CB 1.322 41.921 40.800 -0.336 0.000 1.067 316 D HN 0.429 nan 8.370 nan 0.000 0.511 317 L N 3.208 124.272 121.223 -0.265 0.000 2.261 317 L HA -0.107 4.233 4.340 -0.000 0.000 0.216 317 L C 2.240 179.013 176.870 -0.161 0.000 1.114 317 L CA 0.782 55.504 54.840 -0.197 0.000 0.777 317 L CB -0.170 41.730 42.059 -0.265 0.000 0.910 317 L HN 0.297 nan 8.230 nan 0.000 0.440 318 R N -0.738 119.647 120.500 -0.193 0.000 2.148 318 R HA -0.024 4.316 4.340 -0.000 0.000 0.223 318 R C 1.199 177.451 176.300 -0.079 0.000 1.088 318 R CA 0.863 56.883 56.100 -0.134 0.000 0.985 318 R CB 0.013 30.224 30.300 -0.148 0.000 0.880 318 R HN 0.084 nan 8.270 nan 0.000 0.451 319 S N 0.802 116.465 115.700 -0.061 0.000 2.062 319 S HA 0.257 4.727 4.470 -0.000 0.000 0.163 319 S C -2.115 172.517 174.600 0.053 0.000 1.612 319 S CA -1.467 56.727 58.200 -0.010 0.000 1.251 319 S CB 0.873 64.067 63.200 -0.010 0.000 1.174 319 S HN -0.025 nan 8.310 nan 0.000 0.428 320 P HA 0.081 nan 4.420 nan 0.000 0.242 320 P C 0.511 177.902 177.300 0.151 0.000 1.197 320 P CA 0.460 63.607 63.100 0.078 0.000 0.765 320 P CB 0.242 31.923 31.700 -0.032 0.000 0.936 321 E N -0.653 119.620 120.200 0.122 0.000 2.152 321 E HA -0.023 4.327 4.350 -0.000 0.000 0.192 321 E C 0.556 177.259 176.600 0.170 0.000 0.983 321 E CA 0.755 57.219 56.400 0.107 0.000 0.818 321 E CB -0.254 29.473 29.700 0.045 0.000 0.758 321 E HN 0.275 nan 8.360 nan 0.000 0.467 322 C N 0.097 119.506 119.300 0.181 0.000 2.985 322 C HA 0.441 4.901 4.460 -0.000 0.000 0.314 322 C C -2.570 172.321 174.990 -0.165 0.000 1.215 322 C CA -1.935 57.104 59.018 0.034 0.000 1.414 322 C CB 1.736 29.448 27.740 -0.047 0.000 1.842 322 C HN 0.082 nan 8.230 nan 0.000 0.477 323 P HA 0.147 nan 4.420 nan 0.000 0.270 323 P C 0.629 177.713 177.300 -0.360 0.000 1.223 323 P CA -0.095 62.464 63.100 -0.901 0.000 0.785 323 P CB 0.399 31.474 31.700 -1.041 0.000 0.923 324 V N -1.460 118.321 119.914 -0.222 0.000 3.608 324 V HA 0.467 4.587 4.120 -0.000 0.000 0.269 324 V C 0.655 176.690 176.094 -0.099 0.000 1.245 324 V CA 0.816 63.068 62.300 -0.081 0.000 1.138 324 V CB -0.641 31.223 31.823 0.068 0.000 0.841 324 V HN 0.611 nan 8.190 nan 0.000 0.451 325 G N -0.273 108.421 108.800 -0.178 0.000 2.759 325 G HA2 0.670 4.630 3.960 -0.000 0.000 0.297 325 G HA3 0.670 4.630 3.960 -0.000 0.000 0.297 325 G C -1.633 172.951 174.900 -0.527 0.000 1.434 325 G CA -0.575 44.332 45.100 -0.322 0.000 0.980 325 G HN 0.283 nan 8.290 nan 0.000 0.531 326 E N 0.338 119.957 120.200 -0.969 0.000 2.263 326 E HA 0.544 4.894 4.350 -0.000 0.000 0.268 326 E C -1.688 174.275 176.600 -1.062 0.000 0.884 326 E CA -0.570 55.390 56.400 -0.733 0.000 0.766 326 E CB 2.527 31.971 29.700 -0.426 0.000 1.196 326 E HN 0.327 nan 8.360 nan 0.000 0.416 327 F N 2.106 121.944 119.950 -0.186 0.000 2.579 327 F HA 0.341 4.868 4.527 0.000 0.000 0.325 327 F C -0.377 175.352 175.800 -0.118 0.000 1.162 327 F CA -0.775 57.126 58.000 -0.164 0.000 0.946 327 F CB 1.029 39.958 39.000 -0.119 0.000 1.211 327 F HN 0.197 nan 8.300 nan 0.000 0.447 328 L N 4.761 126.003 121.223 0.031 0.000 2.331 328 L HA 0.462 4.802 4.340 -0.000 0.000 0.278 328 L C -0.406 176.510 176.870 0.077 0.000 1.106 328 L CA -0.188 54.663 54.840 0.017 0.000 0.824 328 L CB 0.838 42.889 42.059 -0.014 0.000 1.142 328 L HN 0.550 nan 8.230 nan 0.000 0.443 329 I N 3.590 124.203 120.570 0.071 0.000 2.439 329 I HA 0.199 4.369 4.170 -0.000 0.000 0.283 329 I C -0.170 175.993 176.117 0.077 0.000 1.023 329 I CA -0.580 60.775 61.300 0.092 0.000 1.100 329 I CB 1.296 39.358 38.000 0.103 0.000 1.238 329 I HN 0.680 nan 8.210 nan 0.000 0.445 330 N N 3.995 122.742 118.700 0.078 0.000 2.688 330 N HA -0.215 4.525 4.740 -0.000 0.000 0.258 330 N C 0.078 175.616 175.510 0.048 0.000 1.016 330 N CA 0.398 53.488 53.050 0.067 0.000 0.747 330 N CB -0.515 38.018 38.487 0.077 0.000 0.895 330 N HN 0.706 nan 8.380 nan 0.000 0.543 331 E N -0.014 120.208 120.200 0.038 0.000 2.608 331 E HA 0.014 4.364 4.350 -0.000 0.000 0.259 331 E C 1.417 178.034 176.600 0.028 0.000 0.951 331 E CA 1.217 57.632 56.400 0.025 0.000 0.945 331 E CB 0.104 29.813 29.700 0.015 0.000 0.916 331 E HN 0.545 nan 8.360 nan 0.000 0.477 332 G N 3.246 112.063 108.800 0.028 0.000 2.194 332 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.236 332 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.236 332 G C 0.149 175.063 174.900 0.023 0.000 0.987 332 G CA 0.228 45.345 45.100 0.029 0.000 0.635 332 G HN 0.611 nan 8.290 nan 0.000 0.520 333 T N 3.802 118.367 114.554 0.019 0.000 2.792 333 T HA 0.610 4.960 4.350 -0.000 0.000 0.280 333 T C -2.594 172.105 174.700 -0.002 0.000 0.990 333 T CA -0.990 61.106 62.100 -0.006 0.000 0.960 333 T CB 2.976 71.842 68.868 -0.004 0.000 0.939 333 T HN 0.131 nan 8.240 nan 0.000 0.439 334 P HA 0.242 nan 4.420 nan 0.000 0.271 334 P C -0.438 176.868 177.300 0.011 0.000 1.216 334 P CA -0.320 62.782 63.100 0.002 0.000 0.776 334 P CB 0.666 32.350 31.700 -0.025 0.000 0.881 335 I N 3.582 124.185 120.570 0.055 0.000 2.416 335 I HA 0.035 4.205 4.170 -0.000 0.000 0.288 335 I C 1.418 177.573 176.117 0.062 0.000 1.051 335 I CA 0.088 61.432 61.300 0.073 0.000 1.375 335 I CB 0.196 38.257 38.000 0.101 0.000 1.407 335 I HN 0.356 nan 8.210 nan 0.000 0.516 336 N N 4.368 123.106 118.700 0.064 0.000 2.368 336 N HA 0.021 4.761 4.740 -0.000 0.000 0.176 336 N C 0.254 175.821 175.510 0.094 0.000 1.021 336 N CA 0.245 53.329 53.050 0.056 0.000 0.888 336 N CB 0.228 38.736 38.487 0.035 0.000 0.995 336 N HN 0.530 nan 8.380 nan 0.000 0.437 337 N N 0.225 119.018 118.700 0.155 0.000 2.431 337 N HA 0.195 4.935 4.740 -0.000 0.000 0.275 337 N C -2.026 173.661 175.510 0.295 0.000 1.091 337 N CA -0.367 52.814 53.050 0.218 0.000 0.922 337 N CB 2.220 40.843 38.487 0.228 0.000 1.666 337 N HN -0.112 nan 8.380 nan 0.000 0.484 338 V N 0.995 121.075 119.914 0.277 0.000 2.656 338 V HA 0.757 4.877 4.120 -0.000 0.000 0.307 338 V C -1.601 174.711 176.094 0.363 0.000 1.051 338 V CA -0.570 61.893 62.300 0.272 0.000 0.893 338 V CB 1.455 33.403 31.823 0.207 0.000 0.999 338 V HN 0.682 nan 8.190 nan 0.000 0.426 339 Y N 4.994 125.382 120.300 0.148 0.000 2.330 339 Y HA 0.631 5.181 4.550 -0.000 0.000 0.324 339 Y C -1.524 174.476 175.900 0.167 0.000 1.093 339 Y CA -1.522 56.687 58.100 0.182 0.000 1.103 339 Y CB 1.893 40.472 38.460 0.199 0.000 1.183 339 Y HN 0.888 nan 8.280 nan 0.000 0.433 340 F N 5.791 125.567 119.950 -0.291 0.000 2.420 340 F HA 0.776 5.303 4.527 -0.000 0.000 0.352 340 F C -0.439 175.020 175.800 -0.569 0.000 1.108 340 F CA 0.144 57.950 58.000 -0.324 0.000 1.162 340 F CB 0.502 39.411 39.000 -0.153 0.000 1.118 340 F HN 0.683 nan 8.300 nan 0.000 0.510 341 A N 4.352 126.693 122.820 -0.798 0.000 2.589 341 A HA 0.619 4.939 4.320 -0.000 0.000 0.296 341 A C -0.001 177.139 177.584 -0.741 0.000 1.062 341 A CA -0.501 51.125 52.037 -0.686 0.000 0.686 341 A CB 0.783 19.420 19.000 -0.605 0.000 1.282 341 A HN 2.103 nan 8.150 nan 0.000 0.404 342 A N 0.362 122.757 122.820 -0.708 0.000 2.596 342 A HA 0.303 4.623 4.320 -0.000 0.000 0.300 342 A C 2.055 179.420 177.584 -0.365 0.000 1.495 342 A CA 1.980 53.761 52.037 -0.426 0.000 0.769 342 A CB -1.773 17.060 19.000 -0.279 0.000 1.047 342 A HN 3.132 nan 8.150 nan 0.000 0.436 343 G N -3.132 105.394 108.800 -0.457 0.000 2.249 343 G HA2 0.287 4.247 3.960 -0.000 0.000 0.273 343 G HA3 0.287 4.247 3.960 -0.000 0.000 0.273 343 G C 0.546 175.101 174.900 -0.576 0.000 1.036 343 G CA 1.350 46.232 45.100 -0.363 0.000 0.824 343 G HN 2.784 nan 8.290 nan 0.000 0.504 344 A N -1.473 120.757 122.820 -0.983 0.000 2.594 344 A HA 0.883 5.203 4.320 -0.000 0.000 0.291 344 A C -1.107 175.840 177.584 -1.062 0.000 1.105 344 A CA -0.611 50.896 52.037 -0.884 0.000 0.694 344 A CB 1.778 20.284 19.000 -0.822 0.000 1.291 344 A HN 1.407 nan 8.150 nan 0.000 0.410 345 L N 0.763 121.451 121.223 -0.892 0.000 2.313 345 L HA 0.782 5.122 4.340 -0.000 0.000 0.283 345 L C -1.581 174.821 176.870 -0.780 0.000 1.013 345 L CA -0.338 54.096 54.840 -0.677 0.000 0.816 345 L CB 0.686 42.389 42.059 -0.595 0.000 1.236 345 L HN 0.538 nan 8.230 nan 0.000 0.419 346 F N 4.408 124.087 119.950 -0.451 0.000 2.421 346 F HA 0.679 5.206 4.527 -0.000 0.000 0.337 346 F C -0.055 175.463 175.800 -0.470 0.000 1.105 346 F CA -0.695 56.892 58.000 -0.689 0.000 1.049 346 F CB 1.802 39.988 39.000 -1.358 0.000 1.139 346 F HN 0.065 nan 8.300 nan 0.000 0.479 347 V N 2.130 121.995 119.914 -0.082 0.000 2.569 347 V HA 0.300 4.420 4.120 -0.000 0.000 0.301 347 V C -0.586 175.742 176.094 0.389 0.000 1.044 347 V CA -0.774 61.630 62.300 0.173 0.000 0.874 347 V CB 1.856 33.713 31.823 0.057 0.000 1.002 347 V HN 0.764 nan 8.190 nan 0.000 0.424 348 S N 3.419 119.405 115.700 0.476 0.000 2.457 348 S HA 0.630 5.100 4.470 -0.000 0.000 0.289 348 S C -0.204 174.507 174.600 0.185 0.000 1.163 348 S CA -0.187 58.208 58.200 0.324 0.000 1.078 348 S CB 1.115 64.435 63.200 0.200 0.000 0.987 348 S HN 0.875 nan 8.310 nan 0.000 0.482 349 S N 3.816 119.605 115.700 0.149 0.000 2.532 349 S HA 0.711 5.181 4.470 -0.000 0.000 0.299 349 S C 0.592 175.209 174.600 0.030 0.000 1.105 349 S CA 0.354 58.608 58.200 0.090 0.000 1.018 349 S CB 0.476 63.747 63.200 0.118 0.000 1.021 349 S HN 1.649 nan 8.310 nan 0.000 0.483 350 G N 3.844 112.596 108.800 -0.080 0.000 2.581 350 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.291 350 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.291 350 G C 0.220 174.943 174.900 -0.295 0.000 1.277 350 G CA 0.968 45.908 45.100 -0.268 0.000 0.959 350 G HN 0.768 nan 8.290 nan 0.000 0.554 351 F N 1.556 121.520 119.950 0.024 0.000 2.664 351 F HA 0.238 4.765 4.527 -0.000 0.000 0.296 351 F C 2.185 177.975 175.800 -0.016 0.000 1.125 351 F CA 1.350 59.346 58.000 -0.005 0.000 1.444 351 F CB 0.197 39.181 39.000 -0.027 0.000 1.114 351 F HN 0.445 nan 8.300 nan 0.000 0.576 352 D N -2.989 117.504 120.400 0.156 0.000 2.520 352 D HA 0.107 4.747 4.640 -0.000 0.000 0.223 352 D C 0.106 176.524 176.300 0.195 0.000 1.186 352 D CA 0.291 54.362 54.000 0.118 0.000 0.821 352 D CB -0.470 40.353 40.800 0.039 0.000 1.072 352 D HN -0.100 nan 8.370 nan 0.000 0.518 353 T N 0.353 115.033 114.554 0.210 0.000 2.792 353 T HA 0.586 4.936 4.350 -0.000 0.000 0.280 353 T C -1.084 173.771 174.700 0.258 0.000 0.990 353 T CA -0.616 61.642 62.100 0.263 0.000 0.960 353 T CB 1.785 70.809 68.868 0.261 0.000 0.939 353 T HN -0.015 nan 8.240 nan 0.000 0.439 354 S N 3.510 119.394 115.700 0.306 0.000 2.672 354 S HA 0.747 5.217 4.470 -0.000 0.000 0.291 354 S C -1.057 173.715 174.600 0.286 0.000 1.145 354 S CA -0.684 57.724 58.200 0.348 0.000 1.013 354 S CB 0.260 63.682 63.200 0.370 0.000 1.017 354 S HN 0.598 nan 8.310 nan 0.000 0.487 355 I N 4.025 124.697 120.570 0.171 0.000 2.545 355 I HA 0.496 4.666 4.170 -0.000 0.000 0.292 355 I C -0.389 175.582 176.117 -0.243 0.000 1.040 355 I CA -0.774 60.472 61.300 -0.089 0.000 1.068 355 I CB 2.236 40.164 38.000 -0.121 0.000 1.251 355 I HN 0.459 nan 8.210 nan 0.000 0.424 356 K N 7.315 127.473 120.400 -0.403 0.000 2.265 356 K HA 0.609 4.929 4.320 -0.000 0.000 0.267 356 K C -1.680 174.555 176.600 -0.608 0.000 0.994 356 K CA -0.488 55.397 56.287 -0.671 0.000 0.860 356 K CB 1.063 33.141 32.500 -0.703 0.000 1.099 356 K HN 0.605 nan 8.250 nan 0.000 0.448 357 L N 4.155 124.996 121.223 -0.636 0.000 2.305 357 L HA 0.303 4.643 4.340 -0.000 0.000 0.284 357 L C -0.256 176.300 176.870 -0.522 0.000 1.013 357 L CA -1.015 53.517 54.840 -0.513 0.000 0.819 357 L CB 1.598 43.385 42.059 -0.454 0.000 1.227 357 L HN 0.571 nan 8.230 nan 0.000 0.417 358 D N 4.000 124.148 120.400 -0.421 0.000 2.345 358 D HA 0.318 4.958 4.640 -0.000 0.000 0.247 358 D C -0.145 175.971 176.300 -0.307 0.000 1.108 358 D CA 0.032 53.814 54.000 -0.362 0.000 0.894 358 D CB 2.003 42.633 40.800 -0.283 0.000 1.203 358 D HN 0.134 nan 8.370 nan 0.000 0.430 359 I N 3.386 123.796 120.570 -0.267 0.000 2.362 359 I HA 0.361 4.531 4.170 -0.000 0.000 0.289 359 I C 0.571 176.625 176.117 -0.105 0.000 0.994 359 I CA -0.699 60.504 61.300 -0.163 0.000 1.158 359 I CB 0.858 38.816 38.000 -0.072 0.000 1.315 359 I HN 0.259 nan 8.210 nan 0.000 0.451 360 I N 1.580 122.099 120.570 -0.086 0.000 2.910 360 I HA 0.638 4.808 4.170 -0.000 0.000 0.310 360 I C 0.055 176.140 176.117 -0.053 0.000 1.043 360 I CA -0.738 60.523 61.300 -0.067 0.000 1.053 360 I CB 2.118 40.075 38.000 -0.072 0.000 1.242 360 I HN 0.331 nan 8.210 nan 0.000 0.452 361 S N 2.163 117.835 115.700 -0.047 0.000 2.523 361 S HA 0.127 4.597 4.470 -0.000 0.000 0.275 361 S C -0.263 174.313 174.600 -0.040 0.000 1.281 361 S CA -0.481 57.689 58.200 -0.049 0.000 1.050 361 S CB 0.456 63.632 63.200 -0.040 0.000 0.937 361 S HN 0.634 nan 8.310 nan 0.000 0.492 362 D N 2.584 122.960 120.400 -0.040 0.000 2.455 362 D HA 0.063 4.703 4.640 -0.000 0.000 0.241 362 D C -1.518 174.772 176.300 -0.017 0.000 1.138 362 D CA -1.510 52.477 54.000 -0.022 0.000 0.877 362 D CB 1.154 41.946 40.800 -0.013 0.000 1.187 362 D HN 0.167 nan 8.370 nan 0.000 0.451 363 P HA -0.069 nan 4.420 nan 0.000 0.214 363 P C -0.090 177.206 177.300 -0.007 0.000 1.162 363 P CA 0.850 63.943 63.100 -0.012 0.000 0.874 363 P CB 0.266 31.958 31.700 -0.013 0.000 0.784 364 E N 0.426 120.625 120.200 -0.002 0.000 1.775 364 E HA 0.110 4.460 4.350 -0.000 0.000 0.266 364 E C 0.409 177.010 176.600 0.003 0.000 1.191 364 E CA -0.148 56.253 56.400 0.002 0.000 1.048 364 E CB -0.793 28.910 29.700 0.005 0.000 1.081 364 E HN 0.217 nan 8.360 nan 0.000 0.434 365 S N 2.017 117.717 115.700 0.001 0.000 2.566 365 S HA 0.477 4.947 4.470 -0.000 0.000 0.277 365 S C -0.189 174.414 174.600 0.006 0.000 1.150 365 S CA -0.926 57.273 58.200 -0.002 0.000 1.032 365 S CB 0.640 63.836 63.200 -0.006 0.000 1.157 365 S HN 0.232 nan 8.310 nan 0.000 0.507 366 E N 0.110 120.313 120.200 0.006 0.000 2.220 366 E HA 0.624 4.974 4.350 -0.000 0.000 0.256 366 E C -0.568 176.020 176.600 -0.020 0.000 0.881 366 E CA -0.688 55.706 56.400 -0.010 0.000 0.766 366 E CB 1.259 30.956 29.700 -0.006 0.000 1.187 366 E HN 0.697 nan 8.360 nan 0.000 0.419 367 R N 2.622 123.077 120.500 -0.074 0.000 2.579 367 R HA 0.363 4.703 4.340 -0.000 0.000 0.260 367 R C -3.076 173.056 176.300 -0.279 0.000 1.103 367 R CA -1.917 54.061 56.100 -0.202 0.000 0.942 367 R CB 1.634 31.871 30.300 -0.106 0.000 1.251 367 R HN 0.301 nan 8.270 nan 0.000 0.450 368 P HA 0.175 nan 4.420 nan 0.000 0.271 368 P C -1.238 175.977 177.300 -0.141 0.000 1.216 368 P CA -0.106 62.848 63.100 -0.244 0.000 0.771 368 P CB 1.369 32.938 31.700 -0.217 0.000 0.864 369 A N 4.408 127.202 122.820 -0.044 0.000 2.374 369 A HA 0.541 4.861 4.320 -0.000 0.000 0.305 369 A C -0.377 177.204 177.584 -0.005 0.000 1.053 369 A CA -0.705 51.346 52.037 0.023 0.000 0.726 369 A CB 0.743 19.764 19.000 0.035 0.000 1.229 369 A HN 0.315 nan 8.150 nan 0.000 0.431 370 I N 2.130 122.694 120.570 -0.009 0.000 2.533 370 I HA 0.098 4.268 4.170 -0.000 0.000 0.284 370 I C 0.537 176.571 176.117 -0.138 0.000 1.109 370 I CA 0.026 61.204 61.300 -0.204 0.000 1.412 370 I CB 0.298 37.948 38.000 -0.583 0.000 1.396 370 I HN 0.576 nan 8.210 nan 0.000 0.543 371 E N 6.650 126.726 120.200 -0.206 0.000 2.148 371 E HA -0.007 4.343 4.350 -0.000 0.000 0.308 371 E C 1.019 177.441 176.600 -0.297 0.000 1.278 371 E CA -0.132 56.126 56.400 -0.236 0.000 1.368 371 E CB -0.255 29.297 29.700 -0.246 0.000 1.229 371 E HN 0.556 nan 8.360 nan 0.000 0.494 372 F N -0.164 119.605 119.950 -0.301 0.000 2.502 372 F HA 0.074 4.601 4.527 -0.000 0.000 0.298 372 F C 1.365 177.078 175.800 -0.145 0.000 1.111 372 F CA 0.415 58.236 58.000 -0.300 0.000 1.445 372 F CB -0.012 38.792 39.000 -0.327 0.000 1.081 372 F HN 0.073 nan 8.300 nan 0.000 0.558 373 E N 0.665 120.369 120.200 -0.828 0.000 2.435 373 E HA -0.009 4.341 4.350 -0.000 0.000 0.195 373 E C 0.401 176.800 176.600 -0.335 0.000 1.029 373 E CA 1.039 57.097 56.400 -0.569 0.000 0.865 373 E CB -0.044 29.257 29.700 -0.666 0.000 0.833 373 E HN 0.493 nan 8.360 nan 0.000 0.510 374 T N 0.155 114.514 114.554 -0.325 0.000 3.585 374 T HA 0.254 4.604 4.350 -0.000 0.000 0.252 374 T C -2.630 171.888 174.700 -0.303 0.000 1.382 374 T CA -1.787 60.145 62.100 -0.280 0.000 1.584 374 T CB 0.715 69.426 68.868 -0.262 0.000 0.892 374 T HN -0.155 nan 8.240 nan 0.000 0.671 375 P HA 0.313 nan 4.420 nan 0.000 0.271 375 P C -0.450 176.427 177.300 -0.704 0.000 1.218 375 P CA 0.067 62.854 63.100 -0.521 0.000 0.780 375 P CB 0.864 32.223 31.700 -0.569 0.000 0.901 376 T N 2.936 117.057 114.554 -0.721 0.000 2.794 376 T HA 0.482 4.832 4.350 -0.000 0.000 0.280 376 T C -0.391 173.877 174.700 -0.720 0.000 0.987 376 T CA -0.038 61.701 62.100 -0.602 0.000 0.993 376 T CB 0.031 68.701 68.868 -0.330 0.000 0.939 376 T HN 0.097 nan 8.240 nan 0.000 0.449 377 F N 3.075 122.951 119.950 -0.123 0.000 2.415 377 F HA 0.399 4.926 4.527 -0.000 0.000 0.348 377 F C 0.061 175.914 175.800 0.088 0.000 1.119 377 F CA -1.433 56.562 58.000 -0.008 0.000 1.069 377 F CB 0.780 39.790 39.000 0.017 0.000 1.124 377 F HN 0.126 nan 8.300 nan 0.000 0.472 378 L N 5.125 126.449 121.223 0.169 0.000 2.363 378 L HA 0.206 4.546 4.340 -0.000 0.000 0.286 378 L C -0.042 176.968 176.870 0.232 0.000 1.106 378 L CA -0.359 54.459 54.840 -0.037 0.000 0.859 378 L CB -0.091 41.694 42.059 -0.458 0.000 1.223 378 L HN 0.300 nan 8.230 nan 0.000 0.446 379 V N 3.747 123.940 119.914 0.466 0.000 2.485 379 V HA 0.233 4.353 4.120 -0.000 0.000 0.287 379 V C 0.881 177.294 176.094 0.532 0.000 1.022 379 V CA 0.029 62.630 62.300 0.502 0.000 1.067 379 V CB 0.666 32.809 31.823 0.533 0.000 0.967 379 V HN 0.979 nan 8.190 nan 0.000 0.479 380 S N 3.602 119.529 115.700 0.378 0.000 2.745 380 S HA 0.455 4.925 4.470 -0.000 0.000 0.306 380 S C -0.237 174.439 174.600 0.127 0.000 1.137 380 S CA -0.917 57.443 58.200 0.266 0.000 0.900 380 S CB 1.730 64.977 63.200 0.078 0.000 1.176 380 S HN 0.538 nan 8.310 nan 0.000 0.520 381 N N 1.432 120.098 118.700 -0.057 0.000 3.188 381 N HA 0.163 4.903 4.740 -0.000 0.000 0.279 381 N C -0.829 174.543 175.510 -0.230 0.000 1.213 381 N CA 0.034 52.925 53.050 -0.266 0.000 1.138 381 N CB -1.300 36.794 38.487 -0.656 0.000 1.417 381 N HN 0.583 nan 8.380 nan 0.000 0.526 382 D N 0.219 120.556 120.400 -0.105 0.000 2.701 382 D HA -0.214 4.426 4.640 -0.000 0.000 0.235 382 D C -0.793 175.402 176.300 -0.175 0.000 1.155 382 D CA 1.025 54.967 54.000 -0.097 0.000 0.649 382 D CB -0.581 40.166 40.800 -0.088 0.000 1.050 382 D HN 0.576 nan 8.370 nan 0.000 0.425 383 D N 0.770 120.983 120.400 -0.311 0.000 2.264 383 D HA 0.172 4.812 4.640 -0.000 0.000 0.249 383 D C 0.513 176.587 176.300 -0.377 0.000 1.070 383 D CA -0.082 53.589 54.000 -0.548 0.000 0.912 383 D CB 1.160 41.119 40.800 -1.402 0.000 1.193 383 D HN 0.140 nan 8.370 nan 0.000 0.427 384 E N 1.323 121.382 120.200 -0.235 0.000 2.115 384 E HA 0.244 4.594 4.350 -0.000 0.000 0.282 384 E C -0.938 175.687 176.600 0.042 0.000 0.987 384 E CA -0.693 55.689 56.400 -0.029 0.000 0.797 384 E CB 1.063 30.820 29.700 0.095 0.000 1.086 384 E HN 0.064 nan 8.360 nan 0.000 0.397 385 V N 4.790 124.737 119.914 0.055 0.000 2.439 385 V HA -0.012 4.108 4.120 -0.000 0.000 0.271 385 V C 0.908 176.965 176.094 -0.062 0.000 1.040 385 V CA 0.232 62.538 62.300 0.010 0.000 1.002 385 V CB 1.070 32.775 31.823 -0.196 0.000 1.000 385 V HN 0.763 nan 8.190 nan 0.000 0.477 386 S N 3.292 118.970 115.700 -0.036 0.000 2.406 386 S HA 0.098 4.568 4.470 -0.000 0.000 0.224 386 S C 0.614 175.140 174.600 -0.124 0.000 1.030 386 S CA 0.519 58.694 58.200 -0.042 0.000 0.958 386 S CB 0.080 63.289 63.200 0.015 0.000 0.811 386 S HN 0.773 nan 8.310 nan 0.000 0.489 387 Q N -0.855 118.801 119.800 -0.240 0.000 2.472 387 Q HA 0.425 4.765 4.340 -0.000 0.000 0.281 387 Q C -1.908 173.808 176.000 -0.474 0.000 0.997 387 Q CA -0.337 55.291 55.803 -0.292 0.000 0.828 387 Q CB 1.635 30.292 28.738 -0.136 0.000 1.443 387 Q HN 0.224 nan 8.270 nan 0.000 0.390 388 F N 0.328 120.100 119.950 -0.297 0.000 2.425 388 F HA 0.605 5.132 4.527 -0.000 0.000 0.331 388 F C 0.396 175.812 175.800 -0.641 0.000 1.085 388 F CA -0.654 57.074 58.000 -0.453 0.000 1.028 388 F CB 1.407 40.074 39.000 -0.554 0.000 1.177 388 F HN 0.394 nan 8.300 nan 0.000 0.487 389 C N 4.054 123.264 119.300 -0.150 0.000 2.505 389 C HA 0.455 4.915 4.460 -0.000 0.000 0.342 389 C C -1.124 173.978 174.990 0.186 0.000 1.121 389 C CA -0.895 58.118 59.018 -0.008 0.000 1.306 389 C CB -0.534 27.251 27.740 0.074 0.000 1.897 389 C HN 0.730 nan 8.230 nan 0.000 0.446 390 Y N 5.310 125.754 120.300 0.239 0.000 2.377 390 Y HA 0.553 5.103 4.550 0.000 0.000 0.330 390 Y C -0.245 175.749 175.900 0.156 0.000 1.108 390 Y CA 0.087 58.296 58.100 0.182 0.000 1.308 390 Y CB 0.983 39.567 38.460 0.206 0.000 1.216 390 Y HN 0.524 nan 8.280 nan 0.000 0.518 391 V N 6.760 126.403 119.914 -0.451 0.000 2.284 391 V HA 0.225 4.345 4.120 -0.000 0.000 0.274 391 V C -0.452 175.281 176.094 -0.601 0.000 1.023 391 V CA -0.724 61.378 62.300 -0.331 0.000 0.808 391 V CB 0.637 32.445 31.823 -0.025 0.000 1.035 391 V HN 0.851 nan 8.190 nan 0.000 0.445 392 S N 1.532 116.895 115.700 -0.561 0.000 2.489 392 S HA 0.318 4.788 4.470 -0.000 0.000 0.277 392 S C 0.348 174.849 174.600 -0.165 0.000 1.230 392 S CA -0.439 57.575 58.200 -0.310 0.000 1.053 392 S CB 1.794 64.952 63.200 -0.071 0.000 0.955 392 S HN 0.603 nan 8.310 nan 0.000 0.488 393 D N 2.552 122.886 120.400 -0.110 0.000 2.178 393 D HA 0.080 4.720 4.640 -0.000 0.000 0.217 393 D C 0.791 177.046 176.300 -0.075 0.000 0.992 393 D CA 1.135 55.084 54.000 -0.086 0.000 0.895 393 D CB 0.123 40.891 40.800 -0.054 0.000 1.031 393 D HN 0.746 nan 8.370 nan 0.000 0.453 394 D N -1.552 118.818 120.400 -0.049 0.000 2.932 394 D HA 0.071 4.711 4.640 -0.000 0.000 0.294 394 D C -0.067 176.219 176.300 -0.024 0.000 1.119 394 D CA 0.121 54.096 54.000 -0.041 0.000 0.980 394 D CB 0.775 41.556 40.800 -0.032 0.000 1.361 394 D HN 0.218 nan 8.370 nan 0.000 0.466 395 E N -0.057 120.135 120.200 -0.013 0.000 4.052 395 E HA 0.378 4.728 4.350 -0.000 0.000 0.219 395 E C -0.231 176.377 176.600 0.014 0.000 1.166 395 E CA -0.243 56.158 56.400 0.001 0.000 1.338 395 E CB 0.945 30.645 29.700 0.000 0.000 1.212 395 E HN -0.032 nan 8.360 nan 0.000 0.432 396 S N 0.038 115.752 115.700 0.024 0.000 3.382 396 S HA -0.199 4.271 4.470 -0.000 0.000 0.293 396 S C 0.048 174.684 174.600 0.060 0.000 1.262 396 S CA 1.305 59.535 58.200 0.050 0.000 0.969 396 S CB -1.317 61.912 63.200 0.047 0.000 1.136 396 S HN 0.648 nan 8.310 nan 0.000 0.635 397 N N 0.142 118.866 118.700 0.041 0.000 2.593 397 N HA 0.890 5.630 4.740 -0.000 0.000 0.304 397 N C 0.270 175.809 175.510 0.049 0.000 1.296 397 N CA 0.527 53.608 53.050 0.052 0.000 0.950 397 N CB 1.214 39.720 38.487 0.032 0.000 1.127 397 N HN 0.622 nan 8.380 nan 0.000 0.587 398 G N -0.977 107.854 108.800 0.051 0.000 2.673 398 G HA2 0.563 4.522 3.960 -0.000 0.000 0.292 398 G HA3 0.563 4.522 3.960 -0.000 0.000 0.292 398 G C -1.630 173.277 174.900 0.013 0.000 1.450 398 G CA -0.377 44.709 45.100 -0.024 0.000 0.837 398 G HN 0.415 nan 8.290 nan 0.000 0.505 399 E N -1.136 119.019 120.200 -0.075 0.000 2.408 399 E HA 0.590 4.940 4.350 -0.000 0.000 0.275 399 E C -1.419 175.209 176.600 0.046 0.000 0.935 399 E CA -0.867 55.555 56.400 0.036 0.000 0.775 399 E CB 3.473 33.190 29.700 0.028 0.000 1.277 399 E HN 0.394 nan 8.360 nan 0.000 0.455 400 V N 2.671 122.661 119.914 0.127 0.000 2.459 400 V HA 0.449 4.569 4.120 -0.000 0.000 0.295 400 V C -1.362 174.811 176.094 0.131 0.000 1.029 400 V CA -0.696 61.655 62.300 0.084 0.000 0.874 400 V CB 1.413 33.180 31.823 -0.094 0.000 0.985 400 V HN 0.467 nan 8.190 nan 0.000 0.438 401 L N 6.619 127.887 121.223 0.075 0.000 2.282 401 L HA 0.600 4.940 4.340 -0.000 0.000 0.288 401 L C -0.091 176.755 176.870 -0.039 0.000 1.033 401 L CA 0.328 55.166 54.840 -0.003 0.000 0.807 401 L CB 1.438 43.466 42.059 -0.051 0.000 1.209 401 L HN 0.718 nan 8.230 nan 0.000 0.423 402 E N 4.278 124.420 120.200 -0.096 0.000 2.179 402 E HA 0.607 4.957 4.350 -0.000 0.000 0.275 402 E C -1.082 175.264 176.600 -0.423 0.000 0.945 402 E CA -0.810 55.459 56.400 -0.219 0.000 0.792 402 E CB 2.380 32.053 29.700 -0.045 0.000 1.125 402 E HN 0.509 nan 8.360 nan 0.000 0.397 403 V N -0.723 119.018 119.914 -0.288 0.000 2.914 403 V HA 0.998 5.118 4.120 -0.000 0.000 0.314 403 V C -0.024 176.122 176.094 0.086 0.000 1.084 403 V CA -0.285 61.903 62.300 -0.186 0.000 0.963 403 V CB 1.612 33.339 31.823 -0.161 0.000 1.025 403 V HN 0.794 nan 8.190 nan 0.000 0.432 404 G N 2.159 111.137 108.800 0.295 0.000 2.650 404 G HA2 0.398 4.358 3.960 -0.000 0.000 0.310 404 G HA3 0.398 4.358 3.960 -0.000 0.000 0.310 404 G C -1.175 173.869 174.900 0.239 0.000 1.270 404 G CA -1.119 44.163 45.100 0.303 0.000 0.810 404 G HN 0.786 nan 8.290 nan 0.000 0.493 405 K N 0.443 120.922 120.400 0.131 0.000 2.276 405 K HA 0.127 4.447 4.320 -0.000 0.000 0.259 405 K C 0.461 177.081 176.600 0.034 0.000 1.001 405 K CA 0.198 56.507 56.287 0.037 0.000 0.927 405 K CB 0.355 32.861 32.500 0.010 0.000 0.969 405 K HN 0.692 nan 8.250 nan 0.000 0.490 406 N N 1.665 120.344 118.700 -0.035 0.000 2.740 406 N HA -0.237 4.503 4.740 -0.000 0.000 0.248 406 N C -0.609 174.912 175.510 0.019 0.000 1.062 406 N CA 1.048 54.078 53.050 -0.034 0.000 0.704 406 N CB -1.381 37.081 38.487 -0.042 0.000 0.968 406 N HN 0.809 nan 8.380 nan 0.000 0.547 407 N N -1.811 116.877 118.700 -0.019 0.000 2.741 407 N HA -0.250 4.490 4.740 -0.000 0.000 0.250 407 N C -0.885 174.789 175.510 0.275 0.000 1.115 407 N CA 0.999 54.095 53.050 0.077 0.000 0.724 407 N CB -1.622 36.892 38.487 0.044 0.000 1.090 407 N HN 0.469 nan 8.380 nan 0.000 0.558 408 F N 1.071 121.088 119.950 0.112 0.000 2.502 408 F HA 0.405 4.932 4.527 0.000 0.000 0.371 408 F C 0.473 176.320 175.800 0.079 0.000 1.083 408 F CA -0.838 57.205 58.000 0.071 0.000 1.174 408 F CB 0.305 39.331 39.000 0.043 0.000 1.096 408 F HN 0.255 nan 8.300 nan 0.000 0.545 409 C N 6.996 126.012 119.300 -0.473 0.000 3.102 409 C HA 0.817 5.277 4.460 -0.000 0.000 0.363 409 C C -1.074 173.483 174.990 -0.722 0.000 1.048 409 C CA -0.171 58.470 59.018 -0.628 0.000 1.330 409 C CB -1.007 26.413 27.740 -0.532 0.000 1.771 409 C HN 1.130 nan 8.230 nan 0.000 0.526 410 A N 5.158 127.484 122.820 -0.823 0.000 2.393 410 A HA 0.831 5.151 4.320 -0.000 0.000 0.306 410 A C -1.504 175.794 177.584 -0.477 0.000 1.050 410 A CA -0.468 51.184 52.037 -0.643 0.000 0.724 410 A CB 1.229 19.881 19.000 -0.581 0.000 1.248 410 A HN 0.902 nan 8.150 nan 0.000 0.424 411 L N 1.719 122.644 121.223 -0.497 0.000 2.322 411 L HA 0.727 5.067 4.340 -0.000 0.000 0.279 411 L C -1.397 175.232 176.870 -0.401 0.000 1.036 411 L CA -0.185 54.477 54.840 -0.297 0.000 0.807 411 L CB 0.995 42.926 42.059 -0.213 0.000 1.226 411 L HN 0.634 nan 8.230 nan 0.000 0.433 412 Y N 2.808 123.097 120.300 -0.019 0.000 2.442 412 Y HA 0.402 4.952 4.550 -0.000 0.000 0.344 412 Y C 0.145 176.064 175.900 0.033 0.000 0.976 412 Y CA -0.866 57.250 58.100 0.027 0.000 1.040 412 Y CB 1.556 40.086 38.460 0.117 0.000 1.228 412 Y HN 0.515 nan 8.280 nan 0.000 0.451 413 N N 2.108 120.894 118.700 0.144 0.000 2.520 413 N HA 0.119 4.859 4.740 -0.000 0.000 0.273 413 N C -0.070 175.542 175.510 0.169 0.000 1.155 413 N CA 0.209 53.327 53.050 0.113 0.000 0.967 413 N CB 1.322 39.844 38.487 0.058 0.000 1.092 413 N HN 0.659 nan 8.380 nan 0.000 0.457 414 L N 1.035 122.351 121.223 0.155 0.000 2.470 414 L HA 0.249 4.589 4.340 -0.000 0.000 0.219 414 L C 1.018 177.950 176.870 0.104 0.000 1.071 414 L CA 0.573 55.509 54.840 0.160 0.000 0.850 414 L CB -0.532 41.658 42.059 0.219 0.000 1.040 414 L HN 0.368 nan 8.230 nan 0.000 0.475 415 S N 0.173 115.926 115.700 0.089 0.000 2.593 415 S HA 0.175 4.645 4.470 -0.000 0.000 0.269 415 S C 0.156 174.784 174.600 0.047 0.000 1.334 415 S CA -0.327 57.910 58.200 0.060 0.000 1.015 415 S CB 0.482 63.714 63.200 0.054 0.000 0.912 415 S HN 0.403 nan 8.310 nan 0.000 0.541 416 N N 2.061 120.777 118.700 0.026 0.000 2.421 416 N HA 0.487 5.227 4.740 -0.000 0.000 0.285 416 N C -2.135 173.377 175.510 0.003 0.000 1.027 416 N CA -1.246 51.809 53.050 0.009 0.000 0.918 416 N CB 0.299 38.782 38.487 -0.008 0.000 1.152 416 N HN 0.268 nan 8.380 nan 0.000 0.485 417 P HA 0.000 nan 4.420 nan 0.000 0.216 417 P CA 0.000 63.091 63.100 -0.015 0.000 0.800 417 P CB 0.000 31.678 31.700 -0.037 0.000 0.726