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 1tdn_1_A DATA FIRST_RESID 3 DATA SEQUENCE DRNPLEEcFR ETDYEEFLEI ARNGLKATSN PKHVVVVGAG MSGLSAAYVL DATA SEQUENCE SGAGHQVTVL EASERAGGRV RTYRNDKEDW YANLGPMRLP EKHRIVREYI DATA SEQUENCE RKFGLQLNEF SQENDNAWYF IKNIRKRVGE VKKDPGVLKY PVKPSEEGKS DATA SEQUENCE AGQLYEESLG KVVEELKRTN cSYILNKYDT YSTKEYLLKE GNLSPGAVDM DATA SEQUENCE IGDLMNEDSG YYVSFPESLR HDDIFAYEKR FDEIVGGMDK LPTSMYRAIE DATA SEQUENCE EKVHLNAQVI KIQKNAEKVT VVYQTPAKEM ASVTADYVIV CTTSRATRRI DATA SEQUENCE KFEPPLPPKK AHALRSVHYR SGTKIFLTcT KKFWEDEGIH GGKSTTDLPS DATA SEQUENCE RFIYYPNHNF TSGVGVIIAY GIGDDANFFQ ALDFKDCADI VINDLSLIHQ DATA SEQUENCE LPREEIQTFc YPSMIQKWSL DKYAMGGITT FTPYQFQHFS ESLTASVDRI DATA SEQUENCE YFAGEHTAEA HGWIDSTIKS GLRAARDVNR ASEQ 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.402 176.300 0.171 0.000 2.045 3 D CA 0.000 54.083 54.000 0.139 0.000 0.868 3 D CB 0.000 40.850 40.800 0.084 0.000 0.688 4 R N 0.814 121.442 120.500 0.215 0.000 1.654 4 R HA -0.186 4.154 4.340 -0.000 0.000 0.396 4 R C -0.348 175.944 176.300 -0.015 0.000 1.258 4 R CA -0.076 56.079 56.100 0.092 0.000 1.036 4 R CB -0.817 29.502 30.300 0.031 0.000 3.126 4 R HN 0.504 nan 8.270 nan 0.000 0.490 5 N N 5.380 123.846 118.700 -0.391 0.000 2.359 5 N HA -0.003 4.737 4.740 -0.000 0.000 0.261 5 N C -0.987 174.368 175.510 -0.258 0.000 1.267 5 N CA -1.142 51.473 53.050 -0.725 0.000 0.864 5 N CB 0.725 38.555 38.487 -1.095 0.000 1.063 5 N HN 0.257 nan 8.380 nan 0.000 0.474 6 P HA -0.150 nan 4.420 nan 0.000 0.223 6 P C 0.542 177.777 177.300 -0.107 0.000 1.144 6 P CA 1.249 64.304 63.100 -0.075 0.000 0.783 6 P CB 0.217 31.904 31.700 -0.023 0.000 0.771 7 L N -1.178 119.963 121.223 -0.137 0.000 2.640 7 L HA 0.169 4.509 4.340 -0.000 0.000 0.230 7 L C 2.208 178.921 176.870 -0.261 0.000 1.123 7 L CA -0.116 54.600 54.840 -0.208 0.000 0.900 7 L CB -0.555 41.389 42.059 -0.191 0.000 1.146 7 L HN -0.116 nan 8.230 nan 0.000 0.484 8 E N 1.529 121.635 120.200 -0.156 0.000 2.164 8 E HA -0.382 3.968 4.350 -0.000 0.000 0.233 8 E C 1.801 178.309 176.600 -0.154 0.000 1.073 8 E CA 2.654 58.985 56.400 -0.115 0.000 0.941 8 E CB -0.257 29.377 29.700 -0.110 0.000 0.820 8 E HN 0.685 nan 8.360 nan 0.000 0.486 9 E N 0.383 120.486 120.200 -0.161 0.000 2.108 9 E HA -0.272 4.078 4.350 -0.000 0.000 0.203 9 E C 2.130 178.596 176.600 -0.224 0.000 1.022 9 E CA 1.909 58.217 56.400 -0.153 0.000 0.823 9 E CB -0.708 28.917 29.700 -0.125 0.000 0.744 9 E HN 0.306 nan 8.360 nan 0.000 0.456 10 c N 0.031 118.388 118.600 -0.405 0.000 2.466 10 c HA 0.004 4.574 4.570 -0.000 0.000 0.283 10 c C 1.089 174.772 174.090 -0.677 0.000 1.472 10 c CA 0.114 56.091 56.329 -0.587 0.000 1.765 10 c CB -1.392 40.625 42.510 -0.822 0.000 1.724 10 c HN 0.382 nan 8.230 nan 0.000 0.560 11 F N -0.165 119.704 119.950 -0.135 0.000 2.729 11 F HA 0.278 4.805 4.527 -0.000 0.000 0.315 11 F C 1.077 176.774 175.800 -0.170 0.000 1.102 11 F CA -0.624 57.281 58.000 -0.158 0.000 1.204 11 F CB -0.342 38.549 39.000 -0.183 0.000 1.052 11 F HN -0.010 nan 8.300 nan 0.000 0.551 12 R N 1.689 122.169 120.500 -0.034 0.000 2.389 12 R HA 0.145 4.485 4.340 -0.000 0.000 0.295 12 R C 0.469 176.731 176.300 -0.063 0.000 1.075 12 R CA -0.356 55.690 56.100 -0.090 0.000 1.005 12 R CB 0.777 31.038 30.300 -0.065 0.000 0.987 12 R HN 0.112 nan 8.270 nan 0.000 0.452 13 E N 1.561 121.679 120.200 -0.136 0.000 2.436 13 E HA -0.028 4.322 4.350 -0.000 0.000 0.262 13 E C -0.181 176.489 176.600 0.115 0.000 1.063 13 E CA 0.607 57.000 56.400 -0.012 0.000 0.944 13 E CB 0.579 30.278 29.700 -0.002 0.000 0.950 13 E HN 0.399 nan 8.360 nan 0.000 0.444 14 T N 2.684 117.330 114.554 0.153 0.000 2.814 14 T HA 0.055 4.405 4.350 -0.000 0.000 0.297 14 T C -0.131 174.741 174.700 0.287 0.000 0.956 14 T CA -0.292 61.916 62.100 0.181 0.000 1.123 14 T CB 0.154 69.122 68.868 0.166 0.000 0.902 14 T HN 0.371 nan 8.240 nan 0.000 0.528 15 D N 0.829 121.362 120.400 0.222 0.000 2.945 15 D HA -0.192 4.448 4.640 -0.000 0.000 0.225 15 D C 0.396 176.872 176.300 0.293 0.000 1.158 15 D CA 0.517 54.628 54.000 0.186 0.000 0.805 15 D CB -1.592 39.284 40.800 0.127 0.000 1.098 15 D HN 0.705 nan 8.370 nan 0.000 0.426 16 Y N 0.846 121.245 120.300 0.165 0.000 2.193 16 Y HA -0.259 4.291 4.550 -0.000 0.000 0.285 16 Y C 2.137 178.105 175.900 0.113 0.000 1.166 16 Y CA 2.087 60.282 58.100 0.158 0.000 1.181 16 Y CB 0.185 38.689 38.460 0.074 0.000 0.976 16 Y HN 0.044 nan 8.280 nan 0.000 0.520 17 E N 0.354 120.582 120.200 0.046 0.000 2.077 17 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 17 E C 2.106 178.637 176.600 -0.116 0.000 0.989 17 E CA 1.519 57.883 56.400 -0.060 0.000 0.800 17 E CB -0.172 29.518 29.700 -0.016 0.000 0.746 17 E HN 0.663 nan 8.360 nan 0.000 0.452 18 E N -0.415 119.700 120.200 -0.142 0.000 2.051 18 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 18 E C 2.019 178.449 176.600 -0.283 0.000 0.991 18 E CA 1.001 57.245 56.400 -0.260 0.000 0.799 18 E CB -0.258 29.188 29.700 -0.422 0.000 0.748 18 E HN 0.197 nan 8.360 nan 0.000 0.449 19 F N 0.913 120.811 119.950 -0.086 0.000 2.234 19 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 19 F C 2.206 177.910 175.800 -0.160 0.000 1.087 19 F CA 0.700 58.647 58.000 -0.088 0.000 1.340 19 F CB -0.325 38.644 39.000 -0.052 0.000 1.031 19 F HN 0.044 nan 8.300 nan 0.000 0.500 20 L N -0.117 121.031 121.223 -0.126 0.000 2.093 20 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 20 L C 2.542 179.324 176.870 -0.147 0.000 1.085 20 L CA 1.640 56.343 54.840 -0.228 0.000 0.755 20 L CB -0.350 41.497 42.059 -0.352 0.000 0.904 20 L HN 0.135 nan 8.230 nan 0.000 0.435 21 E N 0.430 120.556 120.200 -0.125 0.000 2.106 21 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 21 E C 2.229 178.781 176.600 -0.081 0.000 0.984 21 E CA 1.079 57.416 56.400 -0.105 0.000 0.806 21 E CB -0.024 29.614 29.700 -0.103 0.000 0.750 21 E HN 0.583 nan 8.360 nan 0.000 0.458 22 I N 0.652 121.191 120.570 -0.053 0.000 2.394 22 I HA -0.234 3.936 4.170 -0.000 0.000 0.251 22 I C 2.442 178.578 176.117 0.030 0.000 1.136 22 I CA 0.854 62.158 61.300 0.006 0.000 1.425 22 I CB -0.264 37.782 38.000 0.076 0.000 1.079 22 I HN 0.038 nan 8.210 nan 0.000 0.425 23 A N 0.893 123.701 122.820 -0.019 0.000 1.929 23 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 23 A C 2.414 179.830 177.584 -0.281 0.000 1.176 23 A CA 1.063 53.000 52.037 -0.166 0.000 0.628 23 A CB -0.333 18.502 19.000 -0.275 0.000 0.816 23 A HN 0.282 nan 8.150 nan 0.000 0.444 24 R N -0.406 119.975 120.500 -0.199 0.000 2.055 24 R HA -0.013 4.327 4.340 -0.000 0.000 0.228 24 R C 1.330 177.562 176.300 -0.113 0.000 1.143 24 R CA 1.440 57.434 56.100 -0.176 0.000 0.945 24 R CB -0.336 29.881 30.300 -0.138 0.000 0.841 24 R HN 0.472 nan 8.270 nan 0.000 0.429 25 N N -0.329 118.323 118.700 -0.079 0.000 2.392 25 N HA 0.069 4.809 4.740 -0.000 0.000 0.177 25 N C 0.811 176.301 175.510 -0.032 0.000 1.066 25 N CA 0.944 53.960 53.050 -0.055 0.000 0.895 25 N CB 1.018 39.472 38.487 -0.055 0.000 0.988 25 N HN 0.317 nan 8.380 nan 0.000 0.457 26 G N 0.829 109.623 108.800 -0.010 0.000 2.685 26 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.387 26 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.387 26 G C -0.641 174.265 174.900 0.009 0.000 1.324 26 G CA -0.735 44.377 45.100 0.020 0.000 0.878 26 G HN 0.101 nan 8.290 nan 0.000 0.527 27 L N 0.078 121.312 121.223 0.018 0.000 2.475 27 L HA 0.365 4.705 4.340 -0.000 0.000 0.253 27 L C 1.041 177.902 176.870 -0.015 0.000 1.198 27 L CA -0.445 54.401 54.840 0.010 0.000 0.814 27 L CB 0.436 42.514 42.059 0.033 0.000 1.134 27 L HN 0.598 nan 8.230 nan 0.000 0.478 28 K N 1.744 122.133 120.400 -0.019 0.000 2.315 28 K HA 0.341 4.661 4.320 -0.000 0.000 0.291 28 K C -0.015 176.564 176.600 -0.034 0.000 1.074 28 K CA -0.379 55.890 56.287 -0.029 0.000 0.936 28 K CB 0.432 32.915 32.500 -0.029 0.000 1.049 28 K HN 0.581 nan 8.250 nan 0.000 0.471 29 A N 3.105 125.896 122.820 -0.048 0.000 2.622 29 A HA -0.092 4.228 4.320 -0.000 0.000 0.235 29 A C 0.519 178.053 177.584 -0.084 0.000 1.013 29 A CA 0.430 52.423 52.037 -0.073 0.000 0.765 29 A CB -0.003 18.956 19.000 -0.069 0.000 0.921 29 A HN 0.687 nan 8.150 nan 0.000 0.506 30 T N 1.555 116.020 114.554 -0.149 0.000 2.909 30 T HA 0.386 4.736 4.350 -0.000 0.000 0.289 30 T C 1.356 175.986 174.700 -0.117 0.000 1.005 30 T CA 0.115 62.123 62.100 -0.152 0.000 1.084 30 T CB 0.669 69.332 68.868 -0.342 0.000 0.975 30 T HN 0.629 nan 8.240 nan 0.000 0.509 31 S N 3.048 118.710 115.700 -0.062 0.000 2.486 31 S HA 0.100 4.570 4.470 -0.000 0.000 0.220 31 S C 0.706 175.289 174.600 -0.028 0.000 1.011 31 S CA -0.103 58.073 58.200 -0.040 0.000 0.921 31 S CB -0.031 63.158 63.200 -0.018 0.000 0.785 31 S HN 0.749 nan 8.310 nan 0.000 0.517 32 N N 1.877 120.569 118.700 -0.013 0.000 2.682 32 N HA 0.358 5.098 4.740 -0.000 0.000 0.252 32 N C -3.372 172.170 175.510 0.053 0.000 1.081 32 N CA -2.062 51.004 53.050 0.026 0.000 0.844 32 N CB 0.945 39.468 38.487 0.060 0.000 1.167 32 N HN -0.103 nan 8.380 nan 0.000 0.523 33 P HA 0.116 nan 4.420 nan 0.000 0.265 33 P C -0.703 176.726 177.300 0.215 0.000 1.193 33 P CA 0.237 63.362 63.100 0.040 0.000 0.765 33 P CB 0.590 32.282 31.700 -0.013 0.000 0.823 34 K N 1.398 122.069 120.400 0.452 0.000 2.395 34 K HA 0.324 4.644 4.320 -0.000 0.000 0.247 34 K C -0.661 176.119 176.600 0.301 0.000 0.973 34 K CA -0.657 55.825 56.287 0.326 0.000 0.828 34 K CB 1.570 34.273 32.500 0.337 0.000 1.272 34 K HN 0.574 nan 8.250 nan 0.000 0.439 35 H N 0.990 120.121 119.070 0.101 0.000 2.640 35 H HA 0.367 4.923 4.556 -0.000 0.000 0.297 35 H C -0.936 174.423 175.328 0.051 0.000 1.073 35 H CA -0.652 55.434 56.048 0.063 0.000 1.305 35 H CB 0.600 30.380 29.762 0.031 0.000 1.404 35 H HN 0.033 nan 8.280 nan 0.000 0.459 36 V N 6.695 126.719 119.914 0.184 0.000 2.417 36 V HA 0.172 4.292 4.120 -0.000 0.000 0.291 36 V C -0.153 175.920 176.094 -0.034 0.000 1.024 36 V CA -0.796 61.524 62.300 0.033 0.000 0.861 36 V CB 1.544 33.367 31.823 -0.001 0.000 0.985 36 V HN 0.481 nan 8.190 nan 0.000 0.436 37 V N 5.545 125.395 119.914 -0.108 0.000 2.427 37 V HA 0.459 4.579 4.120 -0.000 0.000 0.286 37 V C -0.126 175.930 176.094 -0.063 0.000 1.034 37 V CA -0.527 61.704 62.300 -0.114 0.000 0.893 37 V CB 1.905 33.630 31.823 -0.164 0.000 0.982 37 V HN 0.621 nan 8.190 nan 0.000 0.452 38 V N 5.615 125.496 119.914 -0.055 0.000 2.384 38 V HA 0.363 4.483 4.120 -0.000 0.000 0.287 38 V C -0.074 175.991 176.094 -0.048 0.000 1.020 38 V CA -0.638 61.640 62.300 -0.037 0.000 0.850 38 V CB 1.837 33.650 31.823 -0.016 0.000 0.987 38 V HN 0.605 nan 8.190 nan 0.000 0.436 39 V N 4.580 124.475 119.914 -0.031 0.000 2.368 39 V HA 0.792 4.912 4.120 -0.000 0.000 0.266 39 V C 0.708 176.798 176.094 -0.006 0.000 1.045 39 V CA 0.514 62.798 62.300 -0.027 0.000 0.899 39 V CB 0.489 32.312 31.823 0.001 0.000 1.006 39 V HN 1.287 nan 8.190 nan 0.000 0.470 40 G N 4.279 113.059 108.800 -0.033 0.000 3.355 40 G HA2 0.256 4.216 3.960 -0.000 0.000 0.686 40 G HA3 0.256 4.216 3.960 -0.000 0.000 0.686 40 G C -0.150 174.732 174.900 -0.031 0.000 1.097 40 G CA -0.335 44.747 45.100 -0.029 0.000 0.881 40 G HN 1.431 nan 8.290 nan 0.000 0.550 41 A N 1.808 124.595 122.820 -0.056 0.000 3.012 41 A HA 0.762 5.082 4.320 -0.000 0.000 0.295 41 A C 1.408 178.958 177.584 -0.057 0.000 1.338 41 A CA 1.124 53.133 52.037 -0.047 0.000 0.981 41 A CB -0.270 18.691 19.000 -0.065 0.000 1.091 41 A HN 2.088 nan 8.150 nan 0.000 0.602 42 G N -1.343 107.433 108.800 -0.040 0.000 2.508 42 G HA2 0.392 4.352 3.960 -0.000 0.000 0.278 42 G HA3 0.392 4.352 3.960 -0.000 0.000 0.278 42 G C 1.001 175.874 174.900 -0.045 0.000 1.389 42 G CA -0.440 44.635 45.100 -0.041 0.000 1.050 42 G HN 0.089 nan 8.290 nan 0.000 0.522 43 M N 0.420 119.990 119.600 -0.050 0.000 2.117 43 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 43 M C 2.886 179.152 176.300 -0.056 0.000 1.065 43 M CA 1.875 57.135 55.300 -0.066 0.000 1.114 43 M CB -1.417 31.147 32.600 -0.060 0.000 1.361 43 M HN 0.647 nan 8.290 nan 0.000 0.408 44 S N -0.273 115.413 115.700 -0.023 0.000 2.368 44 S HA -0.061 4.410 4.470 -0.000 0.000 0.224 44 S C 2.126 176.725 174.600 -0.002 0.000 1.029 44 S CA 1.343 59.537 58.200 -0.010 0.000 0.988 44 S CB -1.275 61.936 63.200 0.018 0.000 0.838 44 S HN 0.476 nan 8.310 nan 0.000 0.462 45 G N 1.984 110.787 108.800 0.004 0.000 2.421 45 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.216 45 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.216 45 G C 1.502 176.407 174.900 0.008 0.000 1.171 45 G CA 0.883 45.988 45.100 0.008 0.000 0.775 45 G HN 0.490 nan 8.290 nan 0.000 0.543 46 L N 0.658 121.876 121.223 -0.007 0.000 2.046 46 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 46 L C 3.223 180.100 176.870 0.011 0.000 1.077 46 L CA 1.162 56.003 54.840 0.003 0.000 0.747 46 L CB -0.396 41.638 42.059 -0.042 0.000 0.896 46 L HN 0.190 nan 8.230 nan 0.000 0.432 47 S N -0.163 115.506 115.700 -0.051 0.000 2.356 47 S HA -0.203 4.267 4.470 -0.000 0.000 0.223 47 S C 2.180 176.823 174.600 0.071 0.000 1.032 47 S CA 1.328 59.491 58.200 -0.062 0.000 1.005 47 S CB -0.306 62.824 63.200 -0.116 0.000 0.867 47 S HN 0.510 nan 8.310 nan 0.000 0.449 48 A N 1.637 124.486 122.820 0.048 0.000 1.858 48 A HA 0.045 4.365 4.320 -0.000 0.000 0.216 48 A C 2.386 180.012 177.584 0.070 0.000 1.190 48 A CA 1.900 53.969 52.037 0.054 0.000 0.617 48 A CB -1.279 17.733 19.000 0.021 0.000 0.827 48 A HN 0.536 nan 8.150 nan 0.000 0.443 49 A N -1.722 121.140 122.820 0.071 0.000 1.940 49 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 49 A C 2.141 179.794 177.584 0.115 0.000 1.176 49 A CA 1.805 53.888 52.037 0.077 0.000 0.631 49 A CB -0.817 18.225 19.000 0.070 0.000 0.814 49 A HN 0.745 nan 8.150 nan 0.000 0.446 50 Y N 1.047 121.370 120.300 0.038 0.000 2.114 50 Y HA -0.218 4.332 4.550 -0.000 0.000 0.284 50 Y C 2.531 178.489 175.900 0.097 0.000 1.143 50 Y CA 2.491 60.635 58.100 0.073 0.000 1.135 50 Y CB -0.369 38.141 38.460 0.083 0.000 0.980 50 Y HN 0.207 nan 8.280 nan 0.000 0.499 51 V N -2.137 117.850 119.914 0.121 0.000 2.667 51 V HA -0.151 3.969 4.120 -0.000 0.000 0.252 51 V C 2.108 178.210 176.094 0.013 0.000 1.065 51 V CA 1.453 63.779 62.300 0.043 0.000 1.083 51 V CB -1.051 30.873 31.823 0.169 0.000 0.692 51 V HN 0.351 nan 8.190 nan 0.000 0.468 52 L N 0.827 122.078 121.223 0.047 0.000 2.093 52 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 52 L C 2.864 179.788 176.870 0.090 0.000 1.085 52 L CA 2.253 57.147 54.840 0.090 0.000 0.755 52 L CB -0.833 41.253 42.059 0.046 0.000 0.904 52 L HN 0.460 nan 8.230 nan 0.000 0.435 53 S N -1.033 114.670 115.700 0.006 0.000 2.371 53 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 53 S C 1.994 176.543 174.600 -0.085 0.000 1.029 53 S CA 1.056 59.241 58.200 -0.026 0.000 0.978 53 S CB -0.468 62.703 63.200 -0.048 0.000 0.833 53 S HN 0.558 nan 8.310 nan 0.000 0.466 54 G N 0.253 108.953 108.800 -0.167 0.000 2.471 54 G HA2 0.048 4.008 3.960 -0.000 0.000 0.219 54 G HA3 0.048 4.008 3.960 -0.000 0.000 0.219 54 G C 1.264 176.102 174.900 -0.103 0.000 1.125 54 G CA 0.742 45.739 45.100 -0.171 0.000 0.775 54 G HN 0.604 nan 8.290 nan 0.000 0.548 55 A N -0.524 122.255 122.820 -0.067 0.000 2.251 55 A HA 0.487 4.807 4.320 -0.000 0.000 0.209 55 A C 1.953 179.434 177.584 -0.171 0.000 1.187 55 A CA 1.242 53.234 52.037 -0.076 0.000 0.823 55 A CB -0.316 18.685 19.000 0.002 0.000 0.846 55 A HN 1.486 nan 8.150 nan 0.000 0.486 56 G N -1.580 107.135 108.800 -0.141 0.000 2.176 56 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.232 56 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.232 56 G C 0.116 174.907 174.900 -0.183 0.000 0.986 56 G CA 0.147 45.144 45.100 -0.172 0.000 0.643 56 G HN 0.629 nan 8.290 nan 0.000 0.522 57 H N 0.346 119.409 119.070 -0.012 0.000 2.547 57 H HA 0.398 4.954 4.556 -0.000 0.000 0.362 57 H C 0.351 175.687 175.328 0.014 0.000 1.181 57 H CA 0.157 56.213 56.048 0.013 0.000 1.376 57 H CB 0.939 30.716 29.762 0.024 0.000 1.488 57 H HN 0.323 nan 8.280 nan 0.000 0.583 58 Q N 2.242 122.148 119.800 0.176 0.000 2.349 58 Q HA 0.318 4.658 4.340 -0.000 0.000 0.254 58 Q C -0.835 175.275 176.000 0.185 0.000 0.980 58 Q CA -0.674 55.179 55.803 0.083 0.000 0.924 58 Q CB 0.480 29.180 28.738 -0.063 0.000 1.209 58 Q HN 0.470 nan 8.270 nan 0.000 0.445 59 V N 1.294 121.287 119.914 0.132 0.000 2.581 59 V HA 0.727 4.847 4.120 -0.000 0.000 0.303 59 V C -0.466 175.695 176.094 0.111 0.000 1.041 59 V CA -0.481 61.900 62.300 0.134 0.000 0.907 59 V CB 2.020 33.890 31.823 0.078 0.000 0.994 59 V HN 0.627 nan 8.190 nan 0.000 0.442 60 T N 4.004 118.608 114.554 0.084 0.000 2.847 60 T HA 0.576 4.926 4.350 -0.000 0.000 0.291 60 T C -0.531 174.112 174.700 -0.094 0.000 0.998 60 T CA -0.317 61.771 62.100 -0.020 0.000 0.967 60 T CB 1.380 70.242 68.868 -0.010 0.000 0.954 60 T HN 0.734 nan 8.240 nan 0.000 0.441 61 V N 5.448 125.297 119.914 -0.108 0.000 2.370 61 V HA 0.469 4.589 4.120 -0.000 0.000 0.279 61 V C -0.222 175.777 176.094 -0.159 0.000 1.029 61 V CA -0.781 61.467 62.300 -0.087 0.000 0.870 61 V CB 1.144 32.965 31.823 -0.003 0.000 0.984 61 V HN 0.728 nan 8.190 nan 0.000 0.451 62 L N 4.517 125.631 121.223 -0.181 0.000 2.280 62 L HA 0.620 4.960 4.340 -0.000 0.000 0.287 62 L C -0.232 176.542 176.870 -0.160 0.000 1.023 62 L CA -0.371 54.321 54.840 -0.246 0.000 0.819 62 L CB 1.586 43.432 42.059 -0.354 0.000 1.212 62 L HN 0.649 nan 8.230 nan 0.000 0.420 63 E N 2.354 122.470 120.200 -0.141 0.000 2.176 63 E HA 0.510 4.860 4.350 -0.000 0.000 0.267 63 E C 0.282 176.779 176.600 -0.171 0.000 0.893 63 E CA -0.321 55.992 56.400 -0.144 0.000 0.761 63 E CB 2.072 31.691 29.700 -0.135 0.000 1.133 63 E HN 0.557 nan 8.360 nan 0.000 0.409 64 A N 3.587 126.280 122.820 -0.212 0.000 1.930 64 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 64 A C 1.192 178.581 177.584 -0.325 0.000 1.175 64 A CA 1.274 53.185 52.037 -0.210 0.000 0.627 64 A CB -0.645 18.268 19.000 -0.145 0.000 0.815 64 A HN 0.689 nan 8.150 nan 0.000 0.443 65 S N -0.029 115.326 115.700 -0.576 0.000 2.686 65 S HA 0.269 4.739 4.470 -0.000 0.000 0.270 65 S C 0.458 174.936 174.600 -0.204 0.000 1.194 65 S CA 0.144 58.065 58.200 -0.465 0.000 0.990 65 S CB 0.644 63.493 63.200 -0.584 0.000 1.029 65 S HN 0.525 nan 8.310 nan 0.000 0.560 66 E N -0.388 119.744 120.200 -0.114 0.000 2.359 66 E HA 0.294 4.644 4.350 -0.000 0.000 0.187 66 E C 0.378 176.897 176.600 -0.136 0.000 1.081 66 E CA -0.353 55.992 56.400 -0.091 0.000 0.929 66 E CB -0.008 29.667 29.700 -0.043 0.000 1.086 66 E HN 0.534 nan 8.360 nan 0.000 0.462 67 R N -0.304 120.085 120.500 -0.185 0.000 2.712 67 R HA 0.602 4.942 4.340 -0.000 0.000 0.272 67 R C -1.730 174.402 176.300 -0.281 0.000 1.032 67 R CA -0.431 55.522 56.100 -0.246 0.000 0.874 67 R CB 1.704 31.899 30.300 -0.175 0.000 1.256 67 R HN 0.130 nan 8.270 nan 0.000 0.468 68 A N 0.025 122.618 122.820 -0.377 0.000 2.281 68 A HA 0.718 5.038 4.320 -0.000 0.000 0.329 68 A C 0.756 178.226 177.584 -0.189 0.000 1.122 68 A CA 0.275 52.131 52.037 -0.301 0.000 0.850 68 A CB 1.147 19.901 19.000 -0.411 0.000 1.207 68 A HN 1.107 nan 8.150 nan 0.000 0.495 69 G N -0.952 107.772 108.800 -0.128 0.000 2.352 69 G HA2 0.255 4.215 3.960 -0.000 0.000 0.204 69 G HA3 0.255 4.215 3.960 -0.000 0.000 0.204 69 G C 1.775 176.639 174.900 -0.060 0.000 1.004 69 G CA 0.863 45.909 45.100 -0.090 0.000 0.648 69 G HN 2.775 nan 8.290 nan 0.000 0.491 70 G N 0.569 109.340 108.800 -0.048 0.000 2.629 70 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.313 70 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.313 70 G C 0.849 175.765 174.900 0.026 0.000 1.217 70 G CA 1.499 46.594 45.100 -0.009 0.000 0.994 70 G HN 1.234 nan 8.290 nan 0.000 0.549 71 R N -0.206 120.240 120.500 -0.091 0.000 2.339 71 R HA 0.290 4.630 4.340 -0.000 0.000 0.199 71 R C 0.682 176.837 176.300 -0.241 0.000 1.018 71 R CA 0.599 56.490 56.100 -0.348 0.000 1.036 71 R CB 0.010 29.964 30.300 -0.576 0.000 0.899 71 R HN 0.266 nan 8.270 nan 0.000 0.473 72 V N 1.504 121.365 119.914 -0.088 0.000 2.320 72 V HA 0.287 4.407 4.120 -0.000 0.000 0.265 72 V C 0.014 176.126 176.094 0.030 0.000 1.048 72 V CA -0.419 61.855 62.300 -0.045 0.000 0.865 72 V CB 0.765 32.554 31.823 -0.057 0.000 1.043 72 V HN 0.134 nan 8.190 nan 0.000 0.474 73 R N 2.822 123.393 120.500 0.119 0.000 2.686 73 R HA 0.714 5.054 4.340 -0.000 0.000 0.283 73 R C -1.077 175.300 176.300 0.129 0.000 0.978 73 R CA -0.376 55.812 56.100 0.147 0.000 0.897 73 R CB 2.286 32.757 30.300 0.284 0.000 1.192 73 R HN 0.613 nan 8.270 nan 0.000 0.457 74 T N 3.150 117.743 114.554 0.064 0.000 2.879 74 T HA 0.208 4.558 4.350 -0.000 0.000 0.290 74 T C -1.592 173.133 174.700 0.041 0.000 0.993 74 T CA -0.452 61.683 62.100 0.058 0.000 0.975 74 T CB 0.746 69.588 68.868 -0.043 0.000 0.981 74 T HN 0.451 nan 8.240 nan 0.000 0.439 75 Y N 3.592 123.861 120.300 -0.051 0.000 2.308 75 Y HA 0.641 5.191 4.550 -0.000 0.000 0.329 75 Y C 0.018 175.817 175.900 -0.168 0.000 1.111 75 Y CA -0.772 57.249 58.100 -0.130 0.000 1.179 75 Y CB 0.714 39.058 38.460 -0.192 0.000 1.201 75 Y HN 0.500 nan 8.280 nan 0.000 0.483 76 R N 4.382 124.200 120.500 -1.137 0.000 2.621 76 R HA 0.273 4.613 4.340 -0.000 0.000 0.292 76 R C -1.310 174.230 176.300 -1.266 0.000 0.969 76 R CA -1.065 54.469 56.100 -0.943 0.000 0.887 76 R CB 1.453 31.471 30.300 -0.470 0.000 1.180 76 R HN 0.628 nan 8.270 nan 0.000 0.450 77 N N 2.507 120.517 118.700 -1.151 0.000 2.558 77 N HA 0.060 4.800 4.740 -0.000 0.000 0.242 77 N C -0.439 174.737 175.510 -0.558 0.000 0.979 77 N CA -0.101 52.427 53.050 -0.869 0.000 0.931 77 N CB 1.052 38.866 38.487 -1.120 0.000 1.122 77 N HN 0.568 nan 8.380 nan 0.000 0.508 78 D N 2.255 122.445 120.400 -0.349 0.000 2.144 78 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 78 D C 1.245 177.469 176.300 -0.125 0.000 0.978 78 D CA 1.199 55.076 54.000 -0.206 0.000 0.833 78 D CB 0.551 41.259 40.800 -0.153 0.000 0.961 78 D HN 0.413 nan 8.370 nan 0.000 0.470 79 K N 1.010 121.351 120.400 -0.099 0.000 2.063 79 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 79 K C 1.842 178.448 176.600 0.011 0.000 1.048 79 K CA 1.134 57.403 56.287 -0.031 0.000 0.928 79 K CB 0.026 32.521 32.500 -0.009 0.000 0.713 79 K HN 0.176 nan 8.250 nan 0.000 0.442 80 E N -0.650 119.566 120.200 0.025 0.000 2.415 80 E HA -0.018 4.332 4.350 -0.000 0.000 0.197 80 E C -0.629 176.056 176.600 0.142 0.000 1.007 80 E CA 0.326 56.824 56.400 0.163 0.000 0.890 80 E CB 0.315 30.283 29.700 0.445 0.000 0.891 80 E HN 0.272 nan 8.360 nan 0.000 0.496 81 D N 0.434 120.799 120.400 -0.057 0.000 3.241 81 D HA -0.149 4.491 4.640 -0.000 0.000 0.248 81 D C -1.256 174.947 176.300 -0.162 0.000 1.093 81 D CA 0.723 54.679 54.000 -0.073 0.000 0.940 81 D CB -0.733 40.097 40.800 0.049 0.000 0.980 81 D HN 0.353 nan 8.370 nan 0.000 0.421 82 W N 1.404 122.438 121.300 -0.443 0.000 2.989 82 W HA 0.577 5.237 4.660 -0.000 0.000 0.344 82 W C -1.489 174.807 176.519 -0.371 0.000 1.233 82 W CA -1.095 55.599 57.345 -1.085 0.000 1.187 82 W CB 0.108 28.921 29.460 -1.077 0.000 1.443 82 W HN 0.120 nan 8.180 nan 0.000 0.573 83 Y N -0.075 120.289 120.300 0.107 0.000 2.644 83 Y HA 0.897 5.447 4.550 -0.000 0.000 0.338 83 Y C -1.423 174.762 175.900 0.475 0.000 1.119 83 Y CA -1.906 56.285 58.100 0.150 0.000 1.060 83 Y CB 1.298 39.840 38.460 0.136 0.000 1.294 83 Y HN 0.847 nan 8.280 nan 0.000 0.472 84 A N 2.147 125.312 122.820 0.574 0.000 2.459 84 A HA 0.524 4.844 4.320 -0.000 0.000 0.296 84 A C -1.779 175.995 177.584 0.316 0.000 1.039 84 A CA -1.060 51.198 52.037 0.368 0.000 0.698 84 A CB 0.961 19.872 19.000 -0.149 0.000 1.261 84 A HN 0.728 nan 8.150 nan 0.000 0.405 85 N N 2.659 121.605 118.700 0.411 0.000 2.401 85 N HA 0.243 4.983 4.740 -0.000 0.000 0.255 85 N C 1.014 176.734 175.510 0.349 0.000 1.110 85 N CA -0.161 53.078 53.050 0.315 0.000 0.949 85 N CB 1.250 39.903 38.487 0.277 0.000 1.110 85 N HN 0.652 nan 8.380 nan 0.000 0.490 86 L N 0.610 122.019 121.223 0.311 0.000 2.179 86 L HA 0.063 4.403 4.340 -0.000 0.000 0.208 86 L C 1.762 178.979 176.870 0.578 0.000 1.096 86 L CA 0.821 55.922 54.840 0.435 0.000 0.779 86 L CB -0.163 42.078 42.059 0.303 0.000 0.922 86 L HN 0.498 nan 8.230 nan 0.000 0.443 87 G N -0.626 108.412 108.800 0.396 0.000 3.110 87 G HA2 0.284 4.244 3.960 -0.000 0.000 0.207 87 G HA3 0.284 4.244 3.960 -0.000 0.000 0.207 87 G C -2.356 172.511 174.900 -0.055 0.000 1.841 87 G CA -0.270 44.913 45.100 0.137 0.000 0.751 87 G HN -0.005 nan 8.290 nan 0.000 0.771 88 P HA 0.174 nan 4.420 nan 0.000 0.265 88 P C 0.322 177.566 177.300 -0.095 0.000 1.187 88 P CA 0.883 63.905 63.100 -0.130 0.000 0.766 88 P CB 0.688 32.334 31.700 -0.090 0.000 0.820 89 M N 1.169 120.661 119.600 -0.179 0.000 2.114 89 M HA 0.258 4.738 4.480 -0.000 0.000 0.325 89 M C -0.062 176.002 176.300 -0.394 0.000 0.946 89 M CA -0.050 55.133 55.300 -0.194 0.000 1.137 89 M CB 0.829 33.284 32.600 -0.242 0.000 2.041 89 M HN 0.067 nan 8.290 nan 0.000 0.692 90 R N 1.308 121.575 120.500 -0.388 0.000 2.673 90 R HA 0.819 5.159 4.340 -0.000 0.000 0.281 90 R C -1.819 174.550 176.300 0.115 0.000 0.991 90 R CA -0.791 55.114 56.100 -0.324 0.000 0.896 90 R CB 1.950 31.815 30.300 -0.725 0.000 1.201 90 R HN 0.214 nan 8.270 nan 0.000 0.457 91 L N 2.428 123.763 121.223 0.187 0.000 2.356 91 L HA 0.528 4.868 4.340 -0.000 0.000 0.277 91 L C -2.405 174.467 176.870 0.003 0.000 0.996 91 L CA -2.540 52.405 54.840 0.175 0.000 0.822 91 L CB 2.293 44.429 42.059 0.127 0.000 1.256 91 L HN 0.379 nan 8.230 nan 0.000 0.413 92 P HA 0.046 nan 4.420 nan 0.000 0.272 92 P C 0.289 177.256 177.300 -0.555 0.000 1.240 92 P CA -0.290 62.282 63.100 -0.879 0.000 0.791 92 P CB 0.935 31.825 31.700 -1.351 0.000 0.978 93 E N 1.369 121.242 120.200 -0.545 0.000 2.112 93 E HA -0.172 4.178 4.350 -0.000 0.000 0.190 93 E C 1.433 177.911 176.600 -0.202 0.000 0.979 93 E CA 0.837 57.068 56.400 -0.282 0.000 0.814 93 E CB -0.075 29.482 29.700 -0.238 0.000 0.762 93 E HN 0.379 nan 8.360 nan 0.000 0.460 94 K N -0.416 119.818 120.400 -0.277 0.000 2.442 94 K HA -0.099 4.221 4.320 -0.000 0.000 0.198 94 K C 0.178 176.787 176.600 0.014 0.000 1.042 94 K CA 1.011 57.210 56.287 -0.148 0.000 0.958 94 K CB -0.328 32.047 32.500 -0.208 0.000 0.766 94 K HN 0.225 nan 8.250 nan 0.000 0.474 95 H N 1.619 120.591 119.070 -0.163 0.000 3.092 95 H HA 0.207 4.763 4.556 -0.000 0.000 0.263 95 H C 0.525 175.887 175.328 0.056 0.000 1.611 95 H CA -0.744 55.269 56.048 -0.058 0.000 1.457 95 H CB 0.479 30.174 29.762 -0.113 0.000 1.731 95 H HN 0.205 nan 8.280 nan 0.000 0.532 96 R N 1.817 122.474 120.500 0.261 0.000 2.115 96 R HA -0.076 4.264 4.340 -0.000 0.000 0.226 96 R C 1.746 178.094 176.300 0.081 0.000 1.100 96 R CA 0.769 56.956 56.100 0.144 0.000 0.980 96 R CB 0.109 30.482 30.300 0.121 0.000 0.875 96 R HN 0.566 nan 8.270 nan 0.000 0.445 97 I N 0.960 121.594 120.570 0.107 0.000 2.226 97 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 97 I C 2.320 178.534 176.117 0.162 0.000 1.100 97 I CA 1.232 62.567 61.300 0.058 0.000 1.374 97 I CB -0.383 37.670 38.000 0.087 0.000 1.057 97 I HN -0.077 nan 8.210 nan 0.000 0.413 98 V N 0.687 120.714 119.914 0.188 0.000 2.295 98 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 98 V C 2.592 178.793 176.094 0.178 0.000 1.049 98 V CA 1.541 63.970 62.300 0.216 0.000 1.024 98 V CB -0.974 30.956 31.823 0.178 0.000 0.648 98 V HN 0.354 nan 8.190 nan 0.000 0.447 99 R N 0.424 120.994 120.500 0.117 0.000 2.133 99 R HA -0.273 4.067 4.340 -0.000 0.000 0.245 99 R C 2.302 178.622 176.300 0.032 0.000 1.137 99 R CA 2.198 58.340 56.100 0.069 0.000 0.947 99 R CB -0.857 29.469 30.300 0.043 0.000 0.865 99 R HN 0.623 nan 8.270 nan 0.000 0.437 100 E N 0.360 120.541 120.200 -0.032 0.000 2.070 100 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 100 E C 1.884 178.374 176.600 -0.184 0.000 1.004 100 E CA 1.592 57.898 56.400 -0.156 0.000 0.805 100 E CB -0.417 29.110 29.700 -0.289 0.000 0.744 100 E HN 0.407 nan 8.360 nan 0.000 0.451 101 Y N -0.077 120.227 120.300 0.006 0.000 2.352 101 Y HA 0.008 4.558 4.550 -0.000 0.000 0.292 101 Y C 2.166 178.155 175.900 0.150 0.000 1.136 101 Y CA 0.975 59.099 58.100 0.041 0.000 1.227 101 Y CB -0.139 38.397 38.460 0.127 0.000 0.991 101 Y HN 0.105 nan 8.280 nan 0.000 0.545 102 I N -0.743 119.969 120.570 0.236 0.000 2.353 102 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 102 I C 2.334 178.524 176.117 0.122 0.000 1.119 102 I CA 1.162 62.575 61.300 0.189 0.000 1.417 102 I CB -0.273 37.802 38.000 0.125 0.000 1.078 102 I HN 0.137 nan 8.210 nan 0.000 0.421 103 R N 0.917 121.442 120.500 0.042 0.000 2.064 103 R HA -0.168 4.172 4.340 -0.000 0.000 0.228 103 R C 2.338 178.605 176.300 -0.055 0.000 1.144 103 R CA 1.314 57.410 56.100 -0.008 0.000 0.932 103 R CB -0.400 29.874 30.300 -0.043 0.000 0.833 103 R HN 0.168 nan 8.270 nan 0.000 0.429 104 K N 0.138 120.441 120.400 -0.162 0.000 2.189 104 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 104 K C 1.031 177.386 176.600 -0.409 0.000 1.046 104 K CA 1.669 57.752 56.287 -0.338 0.000 0.928 104 K CB -0.061 32.118 32.500 -0.535 0.000 0.720 104 K HN 0.077 nan 8.250 nan 0.000 0.458 105 F N -0.091 119.874 119.950 0.024 0.000 2.664 105 F HA 0.282 4.809 4.527 -0.000 0.000 0.303 105 F C 1.029 176.836 175.800 0.012 0.000 1.092 105 F CA 0.253 58.263 58.000 0.018 0.000 1.305 105 F CB 0.675 39.679 39.000 0.006 0.000 1.054 105 F HN 0.164 nan 8.300 nan 0.000 0.565 106 G N 2.013 110.885 108.800 0.121 0.000 2.359 106 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.298 106 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.298 106 G C -0.285 174.669 174.900 0.090 0.000 1.030 106 G CA -0.098 45.051 45.100 0.083 0.000 1.149 106 G HN 0.313 nan 8.290 nan 0.000 0.512 107 L N -0.594 120.687 121.223 0.097 0.000 2.334 107 L HA 0.532 4.872 4.340 -0.000 0.000 0.273 107 L C 0.688 177.592 176.870 0.056 0.000 1.013 107 L CA -0.964 53.920 54.840 0.073 0.000 0.816 107 L CB 1.718 43.826 42.059 0.081 0.000 1.278 107 L HN 0.317 nan 8.230 nan 0.000 0.431 108 Q N 2.331 122.156 119.800 0.042 0.000 2.222 108 Q HA 0.620 4.960 4.340 -0.000 0.000 0.252 108 Q C -1.072 174.957 176.000 0.047 0.000 0.926 108 Q CA -0.626 55.202 55.803 0.041 0.000 0.899 108 Q CB 2.451 31.211 28.738 0.036 0.000 1.250 108 Q HN 0.440 nan 8.270 nan 0.000 0.441 109 L N 1.314 122.570 121.223 0.055 0.000 2.332 109 L HA 0.585 4.925 4.340 -0.000 0.000 0.269 109 L C -0.419 176.500 176.870 0.081 0.000 1.016 109 L CA -0.932 53.951 54.840 0.071 0.000 0.809 109 L CB 1.414 43.516 42.059 0.071 0.000 1.280 109 L HN 0.629 nan 8.230 nan 0.000 0.447 110 N N -0.036 118.732 118.700 0.112 0.000 2.324 110 N HA 0.124 4.864 4.740 -0.000 0.000 0.285 110 N C -1.154 174.462 175.510 0.176 0.000 1.076 110 N CA -0.632 52.494 53.050 0.126 0.000 0.864 110 N CB 1.990 40.554 38.487 0.130 0.000 1.632 110 N HN 0.590 nan 8.380 nan 0.000 0.478 111 E N 2.529 122.824 120.200 0.159 0.000 2.414 111 E HA 0.065 4.415 4.350 -0.000 0.000 0.263 111 E C -1.154 175.606 176.600 0.267 0.000 1.000 111 E CA 0.010 56.531 56.400 0.201 0.000 0.914 111 E CB 0.396 30.183 29.700 0.146 0.000 0.948 111 E HN 0.427 nan 8.360 nan 0.000 0.444 112 F N 3.596 123.658 119.950 0.187 0.000 2.411 112 F HA 0.307 4.834 4.527 -0.000 0.000 0.352 112 F C -0.761 175.152 175.800 0.188 0.000 1.123 112 F CA -0.577 57.536 58.000 0.188 0.000 1.044 112 F CB 1.352 40.471 39.000 0.197 0.000 1.135 112 F HN 0.242 nan 8.300 nan 0.000 0.461 113 S N 5.971 121.621 115.700 -0.083 0.000 2.475 113 S HA 0.153 4.623 4.470 -0.000 0.000 0.281 113 S C 0.796 175.415 174.600 0.031 0.000 1.198 113 S CA -0.714 57.504 58.200 0.031 0.000 1.063 113 S CB 1.514 64.710 63.200 -0.006 0.000 0.972 113 S HN 0.684 nan 8.310 nan 0.000 0.486 114 Q N 1.712 121.607 119.800 0.159 0.000 2.245 114 Q HA -0.004 4.336 4.340 -0.000 0.000 0.201 114 Q C 0.562 176.605 176.000 0.071 0.000 0.955 114 Q CA 0.963 56.851 55.803 0.143 0.000 0.870 114 Q CB 0.129 28.946 28.738 0.132 0.000 0.945 114 Q HN 0.921 nan 8.270 nan 0.000 0.461 115 E N -0.583 119.649 120.200 0.055 0.000 2.449 115 E HA 0.558 4.908 4.350 -0.000 0.000 0.278 115 E C -1.325 175.282 176.600 0.011 0.000 0.992 115 E CA -0.931 55.482 56.400 0.021 0.000 0.807 115 E CB 1.409 31.131 29.700 0.038 0.000 1.350 115 E HN -0.095 nan 8.360 nan 0.000 0.462 116 N N 0.100 118.790 118.700 -0.016 0.000 2.503 116 N HA 0.140 4.880 4.740 -0.000 0.000 0.287 116 N C -0.682 174.787 175.510 -0.068 0.000 1.096 116 N CA -0.384 52.644 53.050 -0.036 0.000 0.936 116 N CB 1.613 40.063 38.487 -0.062 0.000 1.570 116 N HN 0.511 nan 8.380 nan 0.000 0.504 117 D N 1.335 121.700 120.400 -0.058 0.000 2.221 117 D HA -0.121 4.519 4.640 -0.000 0.000 0.204 117 D C 0.452 176.650 176.300 -0.169 0.000 0.982 117 D CA 1.031 54.985 54.000 -0.077 0.000 0.857 117 D CB 0.114 40.882 40.800 -0.053 0.000 0.934 117 D HN 0.552 nan 8.370 nan 0.000 0.475 118 N N 0.666 119.243 118.700 -0.204 0.000 2.461 118 N HA 0.054 4.794 4.740 -0.000 0.000 0.188 118 N C 0.774 175.987 175.510 -0.496 0.000 1.134 118 N CA 0.016 52.868 53.050 -0.329 0.000 0.878 118 N CB 0.309 38.654 38.487 -0.238 0.000 0.972 118 N HN 0.102 nan 8.380 nan 0.000 0.456 119 A N 0.214 122.814 122.820 -0.367 0.000 2.262 119 A HA 0.465 4.785 4.320 -0.000 0.000 0.273 119 A C -0.325 176.984 177.584 -0.458 0.000 1.202 119 A CA -0.055 51.796 52.037 -0.310 0.000 0.811 119 A CB 0.237 19.172 19.000 -0.109 0.000 1.159 119 A HN 0.242 nan 8.150 nan 0.000 0.505 120 W N -3.508 117.735 121.300 -0.095 0.000 2.894 120 W HA 0.640 5.300 4.660 -0.000 0.000 0.345 120 W C -1.440 174.980 176.519 -0.163 0.000 1.152 120 W CA -0.051 57.254 57.345 -0.068 0.000 1.089 120 W CB 1.152 30.563 29.460 -0.082 0.000 1.454 120 W HN 0.494 nan 8.180 nan 0.000 0.589 121 Y N 1.161 121.692 120.300 0.385 0.000 2.354 121 Y HA 0.391 4.941 4.550 -0.000 0.000 0.330 121 Y C -1.109 174.956 175.900 0.274 0.000 1.011 121 Y CA -1.227 57.016 58.100 0.237 0.000 1.099 121 Y CB 1.441 39.996 38.460 0.158 0.000 1.179 121 Y HN 0.217 nan 8.280 nan 0.000 0.442 122 F N 6.137 126.191 119.950 0.174 0.000 2.564 122 F HA 0.565 5.092 4.527 -0.000 0.000 0.361 122 F C -1.574 174.255 175.800 0.048 0.000 1.161 122 F CA -0.813 57.228 58.000 0.068 0.000 1.198 122 F CB 0.186 39.168 39.000 -0.030 0.000 1.424 122 F HN 0.203 nan 8.300 nan 0.000 0.517 123 I N 4.642 125.124 120.570 -0.146 0.000 2.404 123 I HA 0.258 4.428 4.170 -0.000 0.000 0.293 123 I C 0.352 176.292 176.117 -0.295 0.000 0.992 123 I CA -0.888 60.334 61.300 -0.131 0.000 1.149 123 I CB 1.672 39.686 38.000 0.024 0.000 1.315 123 I HN 0.470 nan 8.210 nan 0.000 0.446 124 K N 4.500 124.740 120.400 -0.266 0.000 3.012 124 K HA -0.279 4.041 4.320 -0.000 0.000 0.259 124 K C 0.092 176.487 176.600 -0.340 0.000 0.989 124 K CA 0.957 57.087 56.287 -0.261 0.000 0.728 124 K CB -1.493 30.860 32.500 -0.246 0.000 1.260 124 K HN 0.838 nan 8.250 nan 0.000 0.480 125 N N -1.520 116.830 118.700 -0.583 0.000 2.863 125 N HA -0.198 4.542 4.740 -0.000 0.000 0.245 125 N C -0.395 174.769 175.510 -0.576 0.000 1.001 125 N CA 1.403 54.045 53.050 -0.679 0.000 0.901 125 N CB -0.794 37.536 38.487 -0.263 0.000 1.124 125 N HN 0.457 nan 8.380 nan 0.000 0.582 126 I N 0.787 121.054 120.570 -0.505 0.000 2.342 126 I HA 0.214 4.384 4.170 -0.000 0.000 0.291 126 I C 0.647 176.629 176.117 -0.225 0.000 1.010 126 I CA -0.400 60.742 61.300 -0.262 0.000 1.308 126 I CB 1.437 39.339 38.000 -0.163 0.000 1.400 126 I HN 0.084 nan 8.210 nan 0.000 0.488 127 R N 7.067 127.554 120.500 -0.022 0.000 2.358 127 R HA 0.397 4.737 4.340 -0.000 0.000 0.309 127 R C -1.175 175.333 176.300 0.347 0.000 1.026 127 R CA -0.621 55.599 56.100 0.200 0.000 0.909 127 R CB 0.643 31.066 30.300 0.205 0.000 1.153 127 R HN 0.505 nan 8.270 nan 0.000 0.515 128 K N 2.954 123.609 120.400 0.425 0.000 2.350 128 K HA 0.505 4.825 4.320 -0.000 0.000 0.241 128 K C -0.333 176.489 176.600 0.369 0.000 0.994 128 K CA -1.147 55.353 56.287 0.357 0.000 0.839 128 K CB 1.602 34.210 32.500 0.180 0.000 1.244 128 K HN 0.390 nan 8.250 nan 0.000 0.443 129 R N 0.520 121.039 120.500 0.032 0.000 2.560 129 R HA 0.169 4.509 4.340 -0.000 0.000 0.270 129 R C 1.464 177.771 176.300 0.011 0.000 1.074 129 R CA -0.334 55.597 56.100 -0.283 0.000 1.140 129 R CB 0.453 30.510 30.300 -0.406 0.000 1.073 129 R HN 0.333 nan 8.270 nan 0.000 0.527 130 V N 1.507 121.414 119.914 -0.011 0.000 2.343 130 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 130 V C 2.336 178.485 176.094 0.092 0.000 1.051 130 V CA 2.441 64.846 62.300 0.176 0.000 1.036 130 V CB -0.872 30.980 31.823 0.049 0.000 0.654 130 V HN 1.031 nan 8.190 nan 0.000 0.451 131 G N -0.347 108.448 108.800 -0.009 0.000 2.476 131 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 131 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 131 G C 1.426 176.323 174.900 -0.005 0.000 1.164 131 G CA 1.087 46.179 45.100 -0.013 0.000 0.768 131 G HN 0.597 nan 8.290 nan 0.000 0.560 132 E N -0.023 120.170 120.200 -0.011 0.000 2.031 132 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 132 E C 2.724 179.317 176.600 -0.010 0.000 0.994 132 E CA 1.260 57.657 56.400 -0.006 0.000 0.800 132 E CB -0.301 29.401 29.700 0.004 0.000 0.752 132 E HN 0.295 nan 8.360 nan 0.000 0.447 133 V N 1.807 121.711 119.914 -0.016 0.000 2.568 133 V HA -0.275 3.845 4.120 -0.000 0.000 0.253 133 V C 2.097 178.147 176.094 -0.073 0.000 1.072 133 V CA 1.701 63.941 62.300 -0.099 0.000 1.084 133 V CB -0.535 31.099 31.823 -0.316 0.000 0.676 133 V HN 0.206 nan 8.190 nan 0.000 0.469 134 K N 1.061 121.452 120.400 -0.015 0.000 1.973 134 K HA -0.169 4.151 4.320 -0.000 0.000 0.210 134 K C 2.117 178.711 176.600 -0.009 0.000 1.045 134 K CA 1.731 58.017 56.287 -0.002 0.000 0.937 134 K CB -0.301 32.211 32.500 0.021 0.000 0.721 134 K HN 0.584 nan 8.250 nan 0.000 0.438 135 K N 0.750 121.146 120.400 -0.006 0.000 2.585 135 K HA -0.103 4.217 4.320 -0.000 0.000 0.194 135 K C -0.292 176.303 176.600 -0.009 0.000 1.037 135 K CA 1.248 57.532 56.287 -0.006 0.000 0.964 135 K CB 0.062 32.559 32.500 -0.004 0.000 0.787 135 K HN 0.016 nan 8.250 nan 0.000 0.488 136 D N -0.292 120.098 120.400 -0.017 0.000 2.491 136 D HA 0.189 4.829 4.640 -0.000 0.000 0.232 136 D C -2.507 173.776 176.300 -0.030 0.000 1.334 136 D CA -1.487 52.503 54.000 -0.017 0.000 0.909 136 D CB 1.513 42.307 40.800 -0.010 0.000 1.513 136 D HN -0.228 nan 8.370 nan 0.000 0.514 137 P HA 0.064 nan 4.420 nan 0.000 0.229 137 P C 1.378 178.674 177.300 -0.006 0.000 1.150 137 P CA 0.684 63.758 63.100 -0.043 0.000 0.765 137 P CB 0.356 32.033 31.700 -0.038 0.000 0.783 138 G N 0.158 108.958 108.800 -0.000 0.000 2.511 138 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 138 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 138 G C 1.545 176.449 174.900 0.006 0.000 1.133 138 G CA 0.640 45.749 45.100 0.014 0.000 0.792 138 G HN 0.328 nan 8.290 nan 0.000 0.539 139 V N -0.430 119.478 119.914 -0.009 0.000 2.469 139 V HA -0.102 4.018 4.120 -0.000 0.000 0.251 139 V C 2.504 178.582 176.094 -0.026 0.000 1.064 139 V CA 1.528 63.818 62.300 -0.017 0.000 1.066 139 V CB -0.520 31.293 31.823 -0.017 0.000 0.667 139 V HN 0.323 nan 8.190 nan 0.000 0.461 140 L N -0.427 120.792 121.223 -0.007 0.000 2.376 140 L HA 0.086 4.426 4.340 -0.000 0.000 0.219 140 L C 1.418 178.225 176.870 -0.104 0.000 1.133 140 L CA 0.827 55.662 54.840 -0.009 0.000 0.816 140 L CB -0.648 41.517 42.059 0.175 0.000 0.933 140 L HN 0.423 nan 8.230 nan 0.000 0.449 141 K N -0.512 119.870 120.400 -0.030 0.000 3.150 141 K HA -0.223 4.097 4.320 -0.000 0.000 0.267 141 K C -0.903 175.632 176.600 -0.108 0.000 1.028 141 K CA 0.383 56.631 56.287 -0.066 0.000 0.753 141 K CB -2.048 30.386 32.500 -0.109 0.000 1.288 141 K HN 0.158 nan 8.250 nan 0.000 0.473 142 Y N 0.363 120.646 120.300 -0.029 0.000 2.319 142 Y HA 0.174 4.724 4.550 -0.000 0.000 0.328 142 Y C -1.527 174.366 175.900 -0.012 0.000 1.133 142 Y CA -2.376 55.714 58.100 -0.017 0.000 1.265 142 Y CB 0.581 39.035 38.460 -0.009 0.000 1.218 142 Y HN -0.007 nan 8.280 nan 0.000 0.508 143 P HA -0.017 nan 4.420 nan 0.000 0.238 143 P C -0.762 176.582 177.300 0.073 0.000 1.679 143 P CA 0.082 63.222 63.100 0.066 0.000 1.080 143 P CB -0.663 31.062 31.700 0.041 0.000 1.961 144 V N -1.333 118.627 119.914 0.075 0.000 2.743 144 V HA 0.405 4.525 4.120 -0.000 0.000 0.301 144 V C 0.502 176.613 176.094 0.028 0.000 1.057 144 V CA -1.172 61.158 62.300 0.051 0.000 1.006 144 V CB 1.320 33.172 31.823 0.048 0.000 1.024 144 V HN 0.048 nan 8.190 nan 0.000 0.473 145 K N 3.496 123.906 120.400 0.017 0.000 2.336 145 K HA 0.199 4.519 4.320 -0.000 0.000 0.262 145 K C -1.727 174.878 176.600 0.009 0.000 0.992 145 K CA -0.701 55.592 56.287 0.009 0.000 0.927 145 K CB 0.321 32.822 32.500 0.002 0.000 0.956 145 K HN 0.506 nan 8.250 nan 0.000 0.495 146 P HA -0.210 nan 4.420 nan 0.000 0.216 146 P C 0.911 178.214 177.300 0.005 0.000 1.153 146 P CA 1.436 64.539 63.100 0.005 0.000 0.858 146 P CB 0.118 31.820 31.700 0.003 0.000 0.789 147 S N -1.211 114.491 115.700 0.003 0.000 2.595 147 S HA -0.060 4.410 4.470 -0.000 0.000 0.235 147 S C 1.343 175.946 174.600 0.005 0.000 0.974 147 S CA 0.748 58.949 58.200 0.003 0.000 0.942 147 S CB -0.929 62.271 63.200 -0.000 0.000 0.766 147 S HN 0.298 nan 8.310 nan 0.000 0.536 148 E N 0.459 120.663 120.200 0.006 0.000 2.511 148 E HA 0.136 4.486 4.350 -0.000 0.000 0.209 148 E C -0.112 176.494 176.600 0.010 0.000 0.986 148 E CA -0.318 56.087 56.400 0.008 0.000 0.974 148 E CB 0.254 29.959 29.700 0.008 0.000 1.030 148 E HN 0.493 nan 8.360 nan 0.000 0.490 149 E N 0.546 120.752 120.200 0.010 0.000 2.485 149 E HA -0.069 4.281 4.350 -0.000 0.000 0.266 149 E C 1.107 177.712 176.600 0.008 0.000 1.137 149 E CA 0.971 57.377 56.400 0.011 0.000 1.010 149 E CB 0.154 29.859 29.700 0.009 0.000 0.986 149 E HN 0.362 nan 8.360 nan 0.000 0.460 150 G N 1.550 110.354 108.800 0.006 0.000 2.320 150 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.291 150 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.291 150 G C 0.044 174.945 174.900 0.002 0.000 0.994 150 G CA 1.358 46.459 45.100 0.003 0.000 0.760 150 G HN 0.349 nan 8.290 nan 0.000 0.514 151 K N 0.434 120.835 120.400 0.002 0.000 2.164 151 K HA 0.547 4.867 4.320 -0.000 0.000 0.258 151 K C 0.804 177.402 176.600 -0.004 0.000 0.951 151 K CA -0.047 56.242 56.287 0.004 0.000 0.844 151 K CB 1.587 34.094 32.500 0.011 0.000 1.099 151 K HN 0.295 nan 8.250 nan 0.000 0.435 152 S N 0.896 116.596 115.700 -0.001 0.000 2.608 152 S HA 0.183 4.653 4.470 -0.000 0.000 0.261 152 S C 1.250 175.851 174.600 0.002 0.000 1.314 152 S CA -0.110 58.085 58.200 -0.008 0.000 0.992 152 S CB 1.303 64.502 63.200 -0.001 0.000 0.935 152 S HN 0.679 nan 8.310 nan 0.000 0.564 153 A N 1.358 124.175 122.820 -0.006 0.000 1.930 153 A HA 0.163 4.483 4.320 -0.000 0.000 0.217 153 A C 2.185 179.818 177.584 0.082 0.000 1.175 153 A CA 1.575 53.622 52.037 0.017 0.000 0.627 153 A CB -1.797 17.200 19.000 -0.006 0.000 0.815 153 A HN 1.142 nan 8.150 nan 0.000 0.443 154 G N -0.679 108.156 108.800 0.059 0.000 2.418 154 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 154 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 154 G C 1.598 176.575 174.900 0.128 0.000 1.158 154 G CA 0.983 46.130 45.100 0.077 0.000 0.771 154 G HN 0.644 nan 8.290 nan 0.000 0.545 155 Q N -0.182 119.665 119.800 0.078 0.000 2.084 155 Q HA 0.047 4.387 4.340 -0.000 0.000 0.202 155 Q C 2.676 178.736 176.000 0.100 0.000 0.978 155 Q CA 0.828 56.678 55.803 0.078 0.000 0.844 155 Q CB -0.279 28.485 28.738 0.043 0.000 0.898 155 Q HN 0.432 nan 8.270 nan 0.000 0.426 156 L N -0.554 120.727 121.223 0.096 0.000 2.046 156 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 156 L C 2.368 179.314 176.870 0.127 0.000 1.077 156 L CA 1.312 56.203 54.840 0.086 0.000 0.747 156 L CB -0.586 41.513 42.059 0.066 0.000 0.896 156 L HN 0.246 nan 8.230 nan 0.000 0.432 157 Y N 1.040 121.390 120.300 0.083 0.000 2.049 157 Y HA -0.351 4.199 4.550 -0.000 0.000 0.277 157 Y C 2.755 178.745 175.900 0.151 0.000 1.143 157 Y CA 2.198 60.378 58.100 0.134 0.000 1.115 157 Y CB -0.257 38.293 38.460 0.150 0.000 0.975 157 Y HN 0.153 nan 8.280 nan 0.000 0.487 158 E N -0.187 120.190 120.200 0.295 0.000 2.097 158 E HA -0.345 4.005 4.350 -0.000 0.000 0.196 158 E C 2.107 178.768 176.600 0.100 0.000 1.000 158 E CA 1.676 58.210 56.400 0.223 0.000 0.804 158 E CB -0.190 29.654 29.700 0.240 0.000 0.740 158 E HN 0.528 nan 8.360 nan 0.000 0.454 159 E N 0.113 120.361 120.200 0.079 0.000 2.065 159 E HA -0.241 4.109 4.350 -0.000 0.000 0.201 159 E C 2.052 178.661 176.600 0.016 0.000 1.016 159 E CA 2.114 58.539 56.400 0.042 0.000 0.818 159 E CB -0.181 29.538 29.700 0.032 0.000 0.749 159 E HN 0.345 nan 8.360 nan 0.000 0.453 160 S N -0.491 115.202 115.700 -0.011 0.000 2.474 160 S HA -0.106 4.364 4.470 -0.000 0.000 0.235 160 S C 1.594 176.230 174.600 0.060 0.000 0.997 160 S CA 0.520 58.708 58.200 -0.020 0.000 0.949 160 S CB -0.154 63.008 63.200 -0.064 0.000 0.766 160 S HN 0.147 nan 8.310 nan 0.000 0.517 161 L N 2.389 123.628 121.223 0.026 0.000 2.633 161 L HA 0.225 4.565 4.340 -0.000 0.000 0.235 161 L C 2.315 179.204 176.870 0.033 0.000 1.163 161 L CA 0.472 55.328 54.840 0.027 0.000 0.859 161 L CB -1.504 40.564 42.059 0.015 0.000 0.973 161 L HN 0.456 nan 8.230 nan 0.000 0.451 162 G N -0.406 108.417 108.800 0.039 0.000 2.545 162 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.217 162 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.217 162 G C 1.663 176.585 174.900 0.037 0.000 1.218 162 G CA 0.756 45.874 45.100 0.030 0.000 0.787 162 G HN 0.389 nan 8.290 nan 0.000 0.571 163 K N -0.208 120.223 120.400 0.052 0.000 2.360 163 K HA 0.009 4.329 4.320 -0.000 0.000 0.201 163 K C 2.372 179.026 176.600 0.091 0.000 1.046 163 K CA 0.774 57.105 56.287 0.074 0.000 0.940 163 K CB -0.061 32.483 32.500 0.074 0.000 0.748 163 K HN 0.265 nan 8.250 nan 0.000 0.465 164 V N -0.332 119.593 119.914 0.019 0.000 2.500 164 V HA -0.152 3.968 4.120 -0.000 0.000 0.243 164 V C 2.074 178.172 176.094 0.006 0.000 1.039 164 V CA 0.922 63.179 62.300 -0.071 0.000 1.053 164 V CB 0.297 31.929 31.823 -0.318 0.000 0.695 164 V HN 0.092 nan 8.190 nan 0.000 0.463 165 V N 0.285 120.195 119.914 -0.006 0.000 2.282 165 V HA -0.322 3.798 4.120 -0.000 0.000 0.249 165 V C 2.405 178.511 176.094 0.019 0.000 1.057 165 V CA 2.335 64.633 62.300 -0.003 0.000 1.032 165 V CB -0.644 31.179 31.823 -0.000 0.000 0.645 165 V HN 0.633 nan 8.190 nan 0.000 0.447 166 E N -0.447 119.775 120.200 0.036 0.000 2.012 166 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 166 E C 2.330 178.965 176.600 0.058 0.000 1.007 166 E CA 1.417 57.842 56.400 0.041 0.000 0.816 166 E CB -0.287 29.443 29.700 0.049 0.000 0.762 166 E HN 0.530 nan 8.360 nan 0.000 0.451 167 E N 0.928 121.193 120.200 0.108 0.000 2.136 167 E HA -0.261 4.089 4.350 -0.000 0.000 0.208 167 E C 2.171 178.844 176.600 0.122 0.000 1.035 167 E CA 0.882 57.378 56.400 0.160 0.000 0.838 167 E CB -0.507 29.378 29.700 0.308 0.000 0.748 167 E HN 0.293 nan 8.360 nan 0.000 0.459 168 L N 0.877 122.156 121.223 0.093 0.000 1.971 168 L HA -0.280 4.060 4.340 -0.000 0.000 0.215 168 L C 2.407 179.285 176.870 0.013 0.000 1.072 168 L CA 1.894 56.760 54.840 0.043 0.000 0.758 168 L CB -0.225 41.827 42.059 -0.013 0.000 0.889 168 L HN 0.131 nan 8.230 nan 0.000 0.433 169 K N -0.619 119.783 120.400 0.004 0.000 2.032 169 K HA -0.268 4.052 4.320 -0.000 0.000 0.209 169 K C 2.162 178.752 176.600 -0.016 0.000 1.048 169 K CA 1.824 58.106 56.287 -0.008 0.000 0.927 169 K CB -0.336 32.161 32.500 -0.005 0.000 0.712 169 K HN 0.302 nan 8.250 nan 0.000 0.441 170 R N 1.066 121.558 120.500 -0.013 0.000 2.189 170 R HA -0.097 4.243 4.340 -0.000 0.000 0.223 170 R C 1.042 177.291 176.300 -0.086 0.000 1.092 170 R CA 1.679 57.755 56.100 -0.041 0.000 0.989 170 R CB 0.081 30.361 30.300 -0.032 0.000 0.876 170 R HN 0.411 nan 8.270 nan 0.000 0.457 171 T N -2.759 111.750 114.554 -0.076 0.000 2.501 171 T HA 0.295 4.645 4.350 -0.000 0.000 0.201 171 T C -0.798 173.886 174.700 -0.027 0.000 0.734 171 T CA -0.578 61.452 62.100 -0.117 0.000 1.356 171 T CB 0.356 69.044 68.868 -0.299 0.000 1.754 171 T HN 0.346 nan 8.240 nan 0.000 0.455 172 N N -1.572 117.149 118.700 0.034 0.000 2.525 172 N HA 0.434 5.174 4.740 -0.000 0.000 0.270 172 N C 0.556 176.106 175.510 0.067 0.000 1.321 172 N CA -0.668 52.406 53.050 0.040 0.000 0.797 172 N CB 0.796 39.302 38.487 0.031 0.000 1.529 172 N HN 0.569 nan 8.380 nan 0.000 0.491 173 c N -0.639 117.960 118.600 -0.001 0.000 2.385 173 c HA -0.181 4.389 4.570 -0.000 0.000 0.275 173 c C 2.845 176.934 174.090 -0.001 0.000 1.207 173 c CA 1.756 58.054 56.329 -0.052 0.000 1.760 173 c CB -1.325 41.118 42.510 -0.112 0.000 2.051 173 c HN 0.911 nan 8.230 nan 0.000 0.467 174 S N -1.061 114.669 115.700 0.050 0.000 2.402 174 S HA -0.239 4.231 4.470 -0.000 0.000 0.233 174 S C 1.715 176.383 174.600 0.113 0.000 1.030 174 S CA 1.811 60.068 58.200 0.094 0.000 1.003 174 S CB -0.498 62.766 63.200 0.105 0.000 0.813 174 S HN 0.690 nan 8.310 nan 0.000 0.477 175 Y N 2.734 123.040 120.300 0.010 0.000 2.153 175 Y HA -0.020 4.530 4.550 -0.000 0.000 0.289 175 Y C 2.017 177.910 175.900 -0.012 0.000 1.127 175 Y CA 1.872 59.974 58.100 0.004 0.000 1.131 175 Y CB -0.560 37.899 38.460 -0.002 0.000 0.995 175 Y HN 0.453 nan 8.280 nan 0.000 0.505 176 I N -1.728 118.856 120.570 0.023 0.000 2.202 176 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 176 I C 2.118 178.206 176.117 -0.048 0.000 1.091 176 I CA 1.665 62.968 61.300 0.006 0.000 1.368 176 I CB -1.028 37.073 38.000 0.168 0.000 1.058 176 I HN 0.164 nan 8.210 nan 0.000 0.410 177 L N 0.997 122.169 121.223 -0.085 0.000 2.187 177 L HA -0.210 4.130 4.340 -0.000 0.000 0.213 177 L C 2.238 179.001 176.870 -0.178 0.000 1.100 177 L CA 1.807 56.532 54.840 -0.191 0.000 0.765 177 L CB -0.825 41.074 42.059 -0.266 0.000 0.904 177 L HN 0.431 nan 8.230 nan 0.000 0.437 178 N N -0.365 118.297 118.700 -0.064 0.000 2.395 178 N HA -0.123 4.617 4.740 -0.000 0.000 0.175 178 N C 1.757 177.165 175.510 -0.171 0.000 1.029 178 N CA 0.560 53.623 53.050 0.021 0.000 0.897 178 N CB 0.211 38.722 38.487 0.040 0.000 0.991 178 N HN 0.149 nan 8.380 nan 0.000 0.441 179 K N -0.802 119.375 120.400 -0.372 0.000 2.021 179 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 179 K C 0.823 177.181 176.600 -0.405 0.000 1.047 179 K CA 0.953 56.925 56.287 -0.524 0.000 0.943 179 K CB -0.151 31.810 32.500 -0.898 0.000 0.725 179 K HN 0.164 nan 8.250 nan 0.000 0.439 180 Y N 1.274 121.554 120.300 -0.034 0.000 2.632 180 Y HA -0.062 4.488 4.550 -0.000 0.000 0.301 180 Y C 1.404 177.380 175.900 0.128 0.000 1.172 180 Y CA 0.888 59.037 58.100 0.082 0.000 1.328 180 Y CB -0.260 38.208 38.460 0.013 0.000 1.016 180 Y HN 0.330 nan 8.280 nan 0.000 0.529 181 D N -0.598 119.829 120.400 0.046 0.000 2.363 181 D HA -0.106 4.534 4.640 -0.000 0.000 0.220 181 D C 1.891 178.074 176.300 -0.195 0.000 0.994 181 D CA 1.319 55.314 54.000 -0.008 0.000 0.890 181 D CB 0.017 40.819 40.800 0.004 0.000 0.906 181 D HN 0.294 nan 8.370 nan 0.000 0.530 182 T N -2.988 111.405 114.554 -0.269 0.000 3.100 182 T HA 0.059 4.409 4.350 -0.000 0.000 0.253 182 T C 0.319 174.873 174.700 -0.244 0.000 1.118 182 T CA -0.034 61.664 62.100 -0.671 0.000 1.058 182 T CB -0.334 68.159 68.868 -0.625 0.000 0.953 182 T HN -0.046 nan 8.240 nan 0.000 0.515 183 Y N 2.264 122.545 120.300 -0.031 0.000 2.534 183 Y HA 0.597 5.147 4.550 -0.000 0.000 0.329 183 Y C 0.743 176.729 175.900 0.144 0.000 1.154 183 Y CA -1.483 56.675 58.100 0.098 0.000 1.192 183 Y CB 1.590 40.172 38.460 0.203 0.000 1.275 183 Y HN 0.148 nan 8.280 nan 0.000 0.491 184 S N -1.300 114.583 115.700 0.305 0.000 2.565 184 S HA 0.274 4.744 4.470 -0.000 0.000 0.290 184 S C 0.650 175.395 174.600 0.242 0.000 1.150 184 S CA -0.527 57.826 58.200 0.255 0.000 1.058 184 S CB 1.507 64.832 63.200 0.208 0.000 1.032 184 S HN 0.701 nan 8.310 nan 0.000 0.510 185 T N 2.120 116.844 114.554 0.284 0.000 2.570 185 T HA -0.233 4.117 4.350 -0.000 0.000 0.266 185 T C 1.715 176.439 174.700 0.039 0.000 1.071 185 T CA 2.121 64.387 62.100 0.277 0.000 1.172 185 T CB -0.558 68.610 68.868 0.500 0.000 0.864 185 T HN 0.798 nan 8.240 nan 0.000 0.421 186 K N 0.915 121.276 120.400 -0.064 0.000 2.044 186 K HA -0.234 4.086 4.320 -0.000 0.000 0.210 186 K C 2.400 178.880 176.600 -0.200 0.000 1.049 186 K CA 2.051 58.094 56.287 -0.407 0.000 0.927 186 K CB -0.196 31.966 32.500 -0.563 0.000 0.713 186 K HN 0.531 nan 8.250 nan 0.000 0.443 187 E N -0.615 119.553 120.200 -0.053 0.000 2.097 187 E HA -0.288 4.062 4.350 -0.000 0.000 0.196 187 E C 1.944 178.541 176.600 -0.005 0.000 1.000 187 E CA 1.522 57.928 56.400 0.011 0.000 0.804 187 E CB -0.349 29.419 29.700 0.114 0.000 0.740 187 E HN 0.489 nan 8.360 nan 0.000 0.454 188 Y N 1.428 121.634 120.300 -0.157 0.000 2.049 188 Y HA -0.244 4.306 4.550 -0.000 0.000 0.277 188 Y C 2.099 177.766 175.900 -0.389 0.000 1.143 188 Y CA 2.174 60.022 58.100 -0.421 0.000 1.115 188 Y CB -0.582 37.185 38.460 -1.155 0.000 0.975 188 Y HN 0.029 nan 8.280 nan 0.000 0.487 189 L N -0.304 120.641 121.223 -0.463 0.000 2.103 189 L HA -0.311 4.029 4.340 -0.000 0.000 0.215 189 L C 2.445 179.101 176.870 -0.357 0.000 1.080 189 L CA 1.672 56.281 54.840 -0.385 0.000 0.764 189 L CB -0.781 41.176 42.059 -0.171 0.000 0.890 189 L HN 0.376 nan 8.230 nan 0.000 0.435 190 L N -1.071 119.982 121.223 -0.284 0.000 2.145 190 L HA -0.092 4.248 4.340 -0.000 0.000 0.201 190 L C 2.621 179.372 176.870 -0.198 0.000 1.075 190 L CA 0.978 55.698 54.840 -0.201 0.000 0.773 190 L CB -0.313 41.661 42.059 -0.141 0.000 0.936 190 L HN 0.128 nan 8.230 nan 0.000 0.451 191 K N -0.342 119.942 120.400 -0.192 0.000 2.007 191 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 191 K C 2.072 178.546 176.600 -0.209 0.000 1.047 191 K CA 1.015 57.223 56.287 -0.132 0.000 0.937 191 K CB 0.104 32.597 32.500 -0.011 0.000 0.718 191 K HN 0.173 nan 8.250 nan 0.000 0.438 192 E N -0.025 119.920 120.200 -0.424 0.000 2.038 192 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 192 E C 2.262 178.529 176.600 -0.556 0.000 0.967 192 E CA 0.962 57.063 56.400 -0.498 0.000 0.816 192 E CB -0.732 28.556 29.700 -0.686 0.000 0.784 192 E HN 0.359 nan 8.360 nan 0.000 0.456 193 G N 1.861 110.104 108.800 -0.928 0.000 2.549 193 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.222 193 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.222 193 G C 0.784 175.523 174.900 -0.267 0.000 1.100 193 G CA 1.252 46.040 45.100 -0.520 0.000 0.739 193 G HN 0.437 nan 8.290 nan 0.000 0.577 194 N N -1.719 116.832 118.700 -0.248 0.000 2.740 194 N HA -0.158 4.582 4.740 -0.000 0.000 0.248 194 N C -0.118 175.326 175.510 -0.110 0.000 1.062 194 N CA 0.396 53.359 53.050 -0.146 0.000 0.704 194 N CB -1.511 36.913 38.487 -0.105 0.000 0.968 194 N HN 0.382 nan 8.380 nan 0.000 0.547 195 L N 0.002 121.151 121.223 -0.124 0.000 2.375 195 L HA 0.478 4.818 4.340 -0.000 0.000 0.268 195 L C 0.954 177.788 176.870 -0.061 0.000 1.058 195 L CA -0.632 54.161 54.840 -0.079 0.000 0.803 195 L CB 1.380 43.394 42.059 -0.075 0.000 1.212 195 L HN 0.377 nan 8.230 nan 0.000 0.451 196 S N 0.343 116.024 115.700 -0.032 0.000 2.610 196 S HA 0.309 4.779 4.470 -0.000 0.000 0.273 196 S C -2.030 172.566 174.600 -0.008 0.000 1.274 196 S CA -1.185 57.005 58.200 -0.018 0.000 1.023 196 S CB 1.405 64.604 63.200 -0.000 0.000 0.962 196 S HN 0.371 nan 8.310 nan 0.000 0.523 197 P HA -0.064 nan 4.420 nan 0.000 0.217 197 P C 1.677 179.008 177.300 0.052 0.000 1.151 197 P CA 1.783 64.889 63.100 0.010 0.000 0.849 197 P CB -0.380 31.327 31.700 0.011 0.000 0.787 198 G N -0.119 108.722 108.800 0.068 0.000 2.421 198 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 198 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 198 G C 1.662 176.623 174.900 0.101 0.000 1.171 198 G CA 0.936 46.115 45.100 0.132 0.000 0.775 198 G HN 0.327 nan 8.290 nan 0.000 0.543 199 A N 0.148 122.993 122.820 0.041 0.000 1.902 199 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 199 A C 2.605 180.196 177.584 0.011 0.000 1.181 199 A CA 1.910 53.946 52.037 -0.001 0.000 0.623 199 A CB -0.651 18.352 19.000 0.005 0.000 0.818 199 A HN 0.275 nan 8.150 nan 0.000 0.443 200 V N 0.557 120.495 119.914 0.039 0.000 2.343 200 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 200 V C 2.131 178.328 176.094 0.173 0.000 1.051 200 V CA 2.250 64.600 62.300 0.084 0.000 1.036 200 V CB -0.806 31.001 31.823 -0.026 0.000 0.654 200 V HN 0.479 nan 8.190 nan 0.000 0.451 201 D N -0.696 119.790 120.400 0.143 0.000 2.178 201 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 201 D C 2.037 178.374 176.300 0.062 0.000 0.980 201 D CA 1.304 55.429 54.000 0.208 0.000 0.842 201 D CB -0.149 40.833 40.800 0.303 0.000 0.948 201 D HN 0.384 nan 8.370 nan 0.000 0.472 202 M N -0.041 119.402 119.600 -0.261 0.000 2.077 202 M HA -0.124 4.356 4.480 -0.000 0.000 0.261 202 M C 2.118 178.291 176.300 -0.212 0.000 1.070 202 M CA 1.187 56.074 55.300 -0.689 0.000 1.125 202 M CB 0.000 32.141 32.600 -0.765 0.000 1.339 202 M HN -0.074 nan 8.290 nan 0.000 0.409 203 I N -0.071 120.482 120.570 -0.029 0.000 2.151 203 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 203 I C 2.465 178.611 176.117 0.049 0.000 1.080 203 I CA 1.603 62.953 61.300 0.084 0.000 1.339 203 I CB -1.022 37.131 38.000 0.256 0.000 1.039 203 I HN 0.483 nan 8.210 nan 0.000 0.409 204 G N 0.214 109.067 108.800 0.087 0.000 2.418 204 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 204 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 204 G C 1.195 176.079 174.900 -0.027 0.000 1.158 204 G CA 1.145 46.175 45.100 -0.117 0.000 0.771 204 G HN 0.300 nan 8.290 nan 0.000 0.545 205 D N 0.384 120.816 120.400 0.054 0.000 2.077 205 D HA -0.029 4.611 4.640 -0.000 0.000 0.196 205 D C 2.666 179.052 176.300 0.144 0.000 0.986 205 D CA 0.661 54.718 54.000 0.095 0.000 0.829 205 D CB -0.317 40.587 40.800 0.174 0.000 0.983 205 D HN 0.318 nan 8.370 nan 0.000 0.453 206 L N -0.648 120.655 121.223 0.132 0.000 2.270 206 L HA 0.134 4.474 4.340 -0.000 0.000 0.210 206 L C 2.013 178.994 176.870 0.185 0.000 1.104 206 L CA 0.538 55.511 54.840 0.223 0.000 0.804 206 L CB -0.182 41.980 42.059 0.173 0.000 0.937 206 L HN -0.032 nan 8.230 nan 0.000 0.450 207 M N -0.596 119.049 119.600 0.075 0.000 2.431 207 M HA 0.070 4.550 4.480 -0.000 0.000 0.237 207 M C 0.187 176.436 176.300 -0.085 0.000 1.130 207 M CA 0.179 55.474 55.300 -0.009 0.000 1.002 207 M CB -0.019 32.559 32.600 -0.036 0.000 1.524 207 M HN 0.309 nan 8.290 nan 0.000 0.482 208 N N 1.168 119.869 118.700 0.001 0.000 2.754 208 N HA -0.161 4.579 4.740 -0.000 0.000 0.248 208 N C 0.294 175.653 175.510 -0.251 0.000 1.093 208 N CA 0.039 53.058 53.050 -0.053 0.000 0.699 208 N CB -0.076 38.256 38.487 -0.257 0.000 1.016 208 N HN 0.313 nan 8.380 nan 0.000 0.552 209 E N -0.034 119.965 120.200 -0.336 0.000 2.389 209 E HA -0.031 4.319 4.350 -0.000 0.000 0.199 209 E C 1.144 177.222 176.600 -0.871 0.000 0.978 209 E CA 0.241 56.286 56.400 -0.592 0.000 0.912 209 E CB -0.032 29.288 29.700 -0.633 0.000 0.907 209 E HN 0.498 nan 8.360 nan 0.000 0.494 210 D N 1.270 121.306 120.400 -0.607 0.000 2.103 210 D HA -0.164 4.476 4.640 -0.000 0.000 0.190 210 D C 1.774 178.005 176.300 -0.115 0.000 0.997 210 D CA 2.312 56.101 54.000 -0.351 0.000 0.833 210 D CB -0.016 40.736 40.800 -0.081 0.000 0.961 210 D HN 0.095 nan 8.370 nan 0.000 0.447 211 S N -1.812 113.851 115.700 -0.062 0.000 2.603 211 S HA 0.132 4.602 4.470 -0.000 0.000 0.229 211 S C 1.361 175.991 174.600 0.049 0.000 0.972 211 S CA 0.491 58.722 58.200 0.051 0.000 0.935 211 S CB 0.251 63.486 63.200 0.057 0.000 0.769 211 S HN 0.322 nan 8.310 nan 0.000 0.536 212 G N -0.460 108.278 108.800 -0.103 0.000 4.773 212 G HA2 0.328 4.288 3.960 -0.000 0.000 0.269 212 G HA3 0.328 4.288 3.960 -0.000 0.000 0.269 212 G C -0.074 174.712 174.900 -0.189 0.000 0.992 212 G CA -0.321 44.635 45.100 -0.240 0.000 0.775 212 G HN 0.312 nan 8.290 nan 0.000 0.471 213 Y N 0.711 120.974 120.300 -0.061 0.000 2.583 213 Y HA 0.055 4.605 4.550 -0.000 0.000 0.293 213 Y C 1.975 177.912 175.900 0.061 0.000 1.157 213 Y CA -0.488 57.630 58.100 0.029 0.000 1.315 213 Y CB 0.019 38.538 38.460 0.099 0.000 1.021 213 Y HN 0.630 nan 8.280 nan 0.000 0.536 214 Y N -1.714 118.742 120.300 0.261 0.000 2.457 214 Y HA 0.376 4.926 4.550 -0.000 0.000 0.263 214 Y C 0.695 176.700 175.900 0.174 0.000 1.164 214 Y CA -1.034 57.175 58.100 0.181 0.000 1.274 214 Y CB -1.202 37.334 38.460 0.127 0.000 1.097 214 Y HN -0.165 nan 8.280 nan 0.000 0.523 215 V N -1.000 118.773 119.914 -0.236 0.000 3.214 215 V HA 0.342 4.462 4.120 -0.000 0.000 0.306 215 V C 0.754 176.941 176.094 0.156 0.000 1.078 215 V CA -0.824 61.448 62.300 -0.045 0.000 1.077 215 V CB 1.113 32.867 31.823 -0.115 0.000 1.121 215 V HN 0.274 nan 8.190 nan 0.000 0.468 216 S N 1.055 116.879 115.700 0.207 0.000 2.546 216 S HA 0.050 4.520 4.470 -0.000 0.000 0.290 216 S C 0.559 175.316 174.600 0.262 0.000 1.262 216 S CA -0.149 58.193 58.200 0.236 0.000 1.083 216 S CB -0.706 62.644 63.200 0.249 0.000 0.859 216 S HN 0.859 nan 8.310 nan 0.000 0.495 217 F N 7.864 127.888 119.950 0.123 0.000 2.147 217 F HA 0.004 4.531 4.527 -0.000 0.000 0.301 217 F C -1.180 174.642 175.800 0.038 0.000 1.084 217 F CA 1.120 59.170 58.000 0.083 0.000 1.268 217 F CB -1.669 37.358 39.000 0.044 0.000 1.009 217 F HN 0.532 nan 8.300 nan 0.000 0.486 218 P HA -0.154 nan 4.420 nan 0.000 0.219 218 P C 1.622 178.812 177.300 -0.184 0.000 1.146 218 P CA 1.574 64.529 63.100 -0.242 0.000 0.808 218 P CB -0.089 31.514 31.700 -0.162 0.000 0.779 219 E N -0.742 119.428 120.200 -0.050 0.000 2.077 219 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 219 E C 2.105 178.691 176.600 -0.024 0.000 0.989 219 E CA 1.229 57.614 56.400 -0.025 0.000 0.800 219 E CB -0.835 28.901 29.700 0.061 0.000 0.746 219 E HN 0.190 nan 8.360 nan 0.000 0.452 220 S N 0.456 116.163 115.700 0.012 0.000 2.382 220 S HA -0.082 4.388 4.470 -0.000 0.000 0.228 220 S C 2.140 176.752 174.600 0.020 0.000 1.027 220 S CA 0.597 58.844 58.200 0.079 0.000 0.991 220 S CB -0.131 63.257 63.200 0.313 0.000 0.823 220 S HN 0.138 nan 8.310 nan 0.000 0.469 221 L N 0.864 121.952 121.223 -0.225 0.000 2.017 221 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 221 L C 2.963 179.493 176.870 -0.567 0.000 1.073 221 L CA 1.493 56.144 54.840 -0.315 0.000 0.745 221 L CB -0.560 41.274 42.059 -0.375 0.000 0.894 221 L HN 0.266 nan 8.230 nan 0.000 0.432 222 R N -1.223 118.848 120.500 -0.715 0.000 2.096 222 R HA -0.195 4.145 4.340 -0.000 0.000 0.235 222 R C 2.346 178.470 176.300 -0.293 0.000 1.127 222 R CA 1.247 56.884 56.100 -0.772 0.000 0.968 222 R CB -0.665 29.340 30.300 -0.492 0.000 0.861 222 R HN 0.495 nan 8.270 nan 0.000 0.440 223 H N 1.188 120.175 119.070 -0.140 0.000 2.293 223 H HA -0.169 4.387 4.556 -0.000 0.000 0.300 223 H C 1.547 176.932 175.328 0.095 0.000 1.082 223 H CA 2.252 58.358 56.048 0.096 0.000 1.308 223 H CB -0.131 29.694 29.762 0.104 0.000 1.375 223 H HN 0.142 nan 8.280 nan 0.000 0.495 224 D N -0.063 120.400 120.400 0.105 0.000 2.123 224 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 224 D C 1.996 178.350 176.300 0.090 0.000 0.992 224 D CA 1.626 55.652 54.000 0.043 0.000 0.833 224 D CB -0.437 40.342 40.800 -0.036 0.000 0.954 224 D HN 0.460 nan 8.370 nan 0.000 0.455 225 D N -0.704 119.651 120.400 -0.075 0.000 2.133 225 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 225 D C 2.051 178.297 176.300 -0.091 0.000 0.997 225 D CA 1.342 55.266 54.000 -0.126 0.000 0.840 225 D CB -0.163 40.426 40.800 -0.353 0.000 0.947 225 D HN 0.386 nan 8.370 nan 0.000 0.452 226 I N -1.084 119.338 120.570 -0.247 0.000 2.235 226 I HA -0.138 4.032 4.170 -0.000 0.000 0.241 226 I C 1.918 177.882 176.117 -0.255 0.000 1.085 226 I CA 0.550 61.603 61.300 -0.411 0.000 1.378 226 I CB -0.312 37.214 38.000 -0.789 0.000 1.076 226 I HN 0.018 nan 8.210 nan 0.000 0.415 227 F N 0.977 120.903 119.950 -0.039 0.000 2.128 227 F HA -0.110 4.417 4.527 -0.000 0.000 0.295 227 F C 2.616 178.436 175.800 0.034 0.000 1.100 227 F CA 1.199 59.215 58.000 0.026 0.000 1.260 227 F CB -0.512 38.386 39.000 -0.170 0.000 1.009 227 F HN -0.025 nan 8.300 nan 0.000 0.476 228 A N -1.588 121.336 122.820 0.174 0.000 2.119 228 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 228 A C 1.175 178.607 177.584 -0.253 0.000 1.153 228 A CA 1.244 53.269 52.037 -0.020 0.000 0.692 228 A CB -0.783 18.189 19.000 -0.047 0.000 0.799 228 A HN 0.520 nan 8.150 nan 0.000 0.458 229 Y N -1.447 118.859 120.300 0.011 0.000 2.432 229 Y HA 0.304 4.854 4.550 -0.000 0.000 0.252 229 Y C 0.636 176.500 175.900 -0.061 0.000 1.097 229 Y CA -0.548 57.542 58.100 -0.017 0.000 1.250 229 Y CB 0.380 38.820 38.460 -0.033 0.000 1.245 229 Y HN 0.235 nan 8.280 nan 0.000 0.522 230 E N 2.134 122.345 120.200 0.019 0.000 2.301 230 E HA 0.144 4.494 4.350 -0.000 0.000 0.275 230 E C 0.566 177.133 176.600 -0.055 0.000 1.030 230 E CA -0.177 56.133 56.400 -0.151 0.000 0.852 230 E CB 0.670 30.078 29.700 -0.486 0.000 1.060 230 E HN 0.345 nan 8.360 nan 0.000 0.401 231 K N 2.763 123.110 120.400 -0.089 0.000 2.358 231 K HA 0.267 4.587 4.320 -0.000 0.000 0.200 231 K C 0.167 176.777 176.600 0.016 0.000 1.030 231 K CA -0.384 55.908 56.287 0.008 0.000 1.097 231 K CB 0.719 33.221 32.500 0.004 0.000 0.862 231 K HN 0.168 nan 8.250 nan 0.000 0.534 232 R N 0.508 120.923 120.500 -0.142 0.000 2.566 232 R HA 0.430 4.770 4.340 -0.000 0.000 0.271 232 R C -2.014 174.096 176.300 -0.318 0.000 1.071 232 R CA -0.420 55.636 56.100 -0.072 0.000 0.915 232 R CB 0.962 31.224 30.300 -0.062 0.000 1.228 232 R HN -0.001 nan 8.270 nan 0.000 0.449 233 F N 1.374 121.370 119.950 0.077 0.000 2.603 233 F HA 0.592 5.119 4.527 -0.000 0.000 0.317 233 F C -0.237 175.651 175.800 0.146 0.000 1.066 233 F CA -0.514 57.533 58.000 0.079 0.000 0.941 233 F CB 2.544 41.626 39.000 0.137 0.000 1.291 233 F HN 0.370 nan 8.300 nan 0.000 0.472 234 D N 0.063 120.642 120.400 0.297 0.000 2.552 234 D HA 0.373 5.013 4.640 -0.000 0.000 0.239 234 D C -1.413 175.019 176.300 0.219 0.000 1.139 234 D CA -0.551 53.599 54.000 0.249 0.000 0.914 234 D CB 2.937 43.825 40.800 0.146 0.000 1.461 234 D HN 0.674 nan 8.370 nan 0.000 0.462 235 E N -0.018 120.319 120.200 0.228 0.000 2.288 235 E HA 0.551 4.901 4.350 -0.000 0.000 0.268 235 E C -0.610 176.064 176.600 0.123 0.000 0.885 235 E CA -0.827 55.685 56.400 0.188 0.000 0.767 235 E CB 2.008 31.895 29.700 0.312 0.000 1.220 235 E HN 0.268 nan 8.360 nan 0.000 0.427 236 I N 2.447 123.061 120.570 0.072 0.000 2.436 236 I HA 0.039 4.209 4.170 -0.000 0.000 0.289 236 I C -0.019 176.095 176.117 -0.004 0.000 1.083 236 I CA -0.818 60.502 61.300 0.032 0.000 1.372 236 I CB 0.944 38.946 38.000 0.003 0.000 1.408 236 I HN 0.404 nan 8.210 nan 0.000 0.516 237 V N 7.023 126.944 119.914 0.010 0.000 2.539 237 V HA 0.034 4.154 4.120 -0.000 0.000 0.300 237 V C 1.292 177.348 176.094 -0.063 0.000 1.019 237 V CA 1.492 63.788 62.300 -0.007 0.000 1.160 237 V CB 0.089 31.924 31.823 0.019 0.000 0.901 237 V HN 1.190 nan 8.190 nan 0.000 0.481 238 G N 3.115 111.854 108.800 -0.102 0.000 2.157 238 G HA2 0.220 4.180 3.960 -0.000 0.000 0.239 238 G HA3 0.220 4.180 3.960 -0.000 0.000 0.239 238 G C 0.653 175.127 174.900 -0.710 0.000 0.982 238 G CA -0.152 44.812 45.100 -0.227 0.000 0.650 238 G HN 2.447 nan 8.290 nan 0.000 0.527 239 G N -1.538 106.774 108.800 -0.813 0.000 2.742 239 G HA2 0.293 4.253 3.960 -0.000 0.000 0.686 239 G HA3 0.293 4.253 3.960 -0.000 0.000 0.686 239 G C 0.506 175.237 174.900 -0.282 0.000 1.220 239 G CA 0.261 44.900 45.100 -0.769 0.000 0.783 239 G HN 0.602 nan 8.290 nan 0.000 0.646 240 M N 1.283 120.800 119.600 -0.139 0.000 2.296 240 M HA -0.037 4.443 4.480 -0.000 0.000 0.265 240 M C 2.270 178.525 176.300 -0.076 0.000 1.064 240 M CA 2.081 57.344 55.300 -0.062 0.000 1.109 240 M CB -0.886 31.707 32.600 -0.012 0.000 1.396 240 M HN 0.840 nan 8.290 nan 0.000 0.430 241 D N 0.073 120.416 120.400 -0.095 0.000 2.378 241 D HA -0.151 4.489 4.640 -0.000 0.000 0.222 241 D C 1.384 177.618 176.300 -0.110 0.000 0.980 241 D CA 0.694 54.639 54.000 -0.091 0.000 0.907 241 D CB -0.332 40.418 40.800 -0.084 0.000 0.899 241 D HN 0.176 nan 8.370 nan 0.000 0.527 242 K N 0.070 120.399 120.400 -0.119 0.000 2.147 242 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 242 K C 2.019 178.545 176.600 -0.123 0.000 1.049 242 K CA 0.287 56.507 56.287 -0.112 0.000 0.936 242 K CB -0.489 31.952 32.500 -0.098 0.000 0.722 242 K HN 0.255 nan 8.250 nan 0.000 0.446 243 L N 2.400 123.558 121.223 -0.107 0.000 1.961 243 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 243 L C -1.064 175.674 176.870 -0.221 0.000 1.072 243 L CA 1.977 56.738 54.840 -0.132 0.000 0.749 243 L CB -1.486 40.537 42.059 -0.059 0.000 0.889 243 L HN 0.051 nan 8.230 nan 0.000 0.432 244 P HA -0.126 nan 4.420 nan 0.000 0.219 244 P C 1.358 178.575 177.300 -0.139 0.000 1.146 244 P CA 1.697 64.700 63.100 -0.161 0.000 0.808 244 P CB -0.277 31.353 31.700 -0.118 0.000 0.779 245 T N -0.609 113.868 114.554 -0.128 0.000 2.867 245 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 245 T C 2.120 176.763 174.700 -0.095 0.000 1.057 245 T CA 1.491 63.559 62.100 -0.055 0.000 1.136 245 T CB -0.529 68.300 68.868 -0.065 0.000 0.874 245 T HN 0.165 nan 8.240 nan 0.000 0.466 246 S N 1.212 116.734 115.700 -0.296 0.000 2.335 246 S HA 0.061 4.531 4.470 -0.000 0.000 0.217 246 S C 2.157 176.339 174.600 -0.696 0.000 1.032 246 S CA 0.933 58.813 58.200 -0.534 0.000 0.985 246 S CB -0.351 62.332 63.200 -0.862 0.000 0.896 246 S HN 0.376 nan 8.310 nan 0.000 0.445 247 M N 0.066 119.157 119.600 -0.849 0.000 2.144 247 M HA -0.190 4.290 4.480 -0.000 0.000 0.260 247 M C 2.138 178.344 176.300 -0.157 0.000 1.067 247 M CA 1.703 56.664 55.300 -0.565 0.000 1.095 247 M CB -0.558 31.777 32.600 -0.441 0.000 1.365 247 M HN 0.452 nan 8.290 nan 0.000 0.406 248 Y N 0.911 121.086 120.300 -0.208 0.000 2.242 248 Y HA -0.158 4.392 4.550 -0.000 0.000 0.291 248 Y C 2.253 178.119 175.900 -0.057 0.000 1.137 248 Y CA 1.614 59.654 58.100 -0.100 0.000 1.181 248 Y CB -0.297 38.101 38.460 -0.104 0.000 0.989 248 Y HN 0.056 nan 8.280 nan 0.000 0.527 249 R N -0.082 120.259 120.500 -0.265 0.000 2.115 249 R HA -0.053 4.287 4.340 -0.000 0.000 0.230 249 R C 2.491 178.688 176.300 -0.170 0.000 1.111 249 R CA 0.958 56.883 56.100 -0.291 0.000 0.976 249 R CB -0.484 29.747 30.300 -0.115 0.000 0.870 249 R HN 0.431 nan 8.270 nan 0.000 0.445 250 A N 1.442 124.235 122.820 -0.045 0.000 1.972 250 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 250 A C 1.813 179.440 177.584 0.072 0.000 1.169 250 A CA 1.176 53.282 52.037 0.116 0.000 0.635 250 A CB -0.350 18.885 19.000 0.392 0.000 0.810 250 A HN 0.473 nan 8.150 nan 0.000 0.446 251 I N -4.854 115.717 120.570 0.003 0.000 3.707 251 I HA 0.337 4.507 4.170 -0.000 0.000 0.330 251 I C 1.012 177.053 176.117 -0.127 0.000 1.572 251 I CA 0.044 61.338 61.300 -0.009 0.000 1.104 251 I CB 0.152 38.200 38.000 0.080 0.000 1.240 251 I HN 0.209 nan 8.210 nan 0.000 0.475 252 E N 2.976 122.996 120.200 -0.300 0.000 2.108 252 E HA -0.279 4.071 4.350 -0.000 0.000 0.203 252 E C 1.852 178.338 176.600 -0.190 0.000 1.022 252 E CA 2.506 58.614 56.400 -0.488 0.000 0.823 252 E CB 0.077 29.471 29.700 -0.510 0.000 0.744 252 E HN 0.772 nan 8.360 nan 0.000 0.456 253 E N 0.427 120.573 120.200 -0.090 0.000 2.347 253 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 253 E C 1.238 177.878 176.600 0.068 0.000 1.008 253 E CA 0.862 57.254 56.400 -0.014 0.000 0.852 253 E CB -0.089 29.604 29.700 -0.013 0.000 0.783 253 E HN 0.270 nan 8.360 nan 0.000 0.505 254 K N 0.860 121.299 120.400 0.064 0.000 2.404 254 K HA 0.179 4.499 4.320 -0.000 0.000 0.194 254 K C 0.094 176.784 176.600 0.149 0.000 1.023 254 K CA 0.021 56.372 56.287 0.108 0.000 1.094 254 K CB 1.020 33.555 32.500 0.058 0.000 0.841 254 K HN -0.069 nan 8.250 nan 0.000 0.523 255 V N 2.312 122.341 119.914 0.192 0.000 2.398 255 V HA 0.143 4.263 4.120 -0.000 0.000 0.286 255 V C -0.397 175.915 176.094 0.364 0.000 1.026 255 V CA -0.733 61.707 62.300 0.233 0.000 0.868 255 V CB 0.973 32.971 31.823 0.292 0.000 0.982 255 V HN 0.235 nan 8.190 nan 0.000 0.443 256 H N 5.356 124.423 119.070 -0.004 0.000 2.541 256 H HA 0.514 5.070 4.556 -0.000 0.000 0.316 256 H C -0.511 174.773 175.328 -0.073 0.000 1.043 256 H CA -0.800 55.225 56.048 -0.039 0.000 1.232 256 H CB 1.571 31.270 29.762 -0.106 0.000 1.406 256 H HN 0.456 nan 8.280 nan 0.000 0.469 257 L N 2.276 123.535 121.223 0.060 0.000 2.469 257 L HA 0.109 4.449 4.340 -0.000 0.000 0.253 257 L C 0.911 177.767 176.870 -0.023 0.000 1.143 257 L CA -0.793 54.034 54.840 -0.023 0.000 0.804 257 L CB 0.295 42.325 42.059 -0.048 0.000 1.214 257 L HN 0.791 nan 8.230 nan 0.000 0.476 258 N N -0.041 118.631 118.700 -0.048 0.000 2.721 258 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 258 N C -0.538 174.982 175.510 0.018 0.000 1.072 258 N CA 1.019 54.063 53.050 -0.010 0.000 0.710 258 N CB -0.925 37.570 38.487 0.015 0.000 0.993 258 N HN 0.676 nan 8.380 nan 0.000 0.547 259 A N 0.678 123.476 122.820 -0.037 0.000 2.360 259 A HA 0.385 4.705 4.320 -0.000 0.000 0.309 259 A C 0.155 177.703 177.584 -0.059 0.000 1.311 259 A CA -0.539 51.455 52.037 -0.071 0.000 0.805 259 A CB 0.931 19.724 19.000 -0.344 0.000 1.144 259 A HN 0.235 nan 8.150 nan 0.000 0.486 260 Q N 3.013 122.859 119.800 0.077 0.000 2.360 260 Q HA 0.467 4.807 4.340 -0.000 0.000 0.254 260 Q C -1.008 175.070 176.000 0.131 0.000 0.975 260 Q CA -0.433 55.421 55.803 0.085 0.000 0.912 260 Q CB 1.067 29.878 28.738 0.121 0.000 1.212 260 Q HN 0.501 nan 8.270 nan 0.000 0.452 261 V N 7.219 127.181 119.914 0.080 0.000 2.485 261 V HA -0.042 4.078 4.120 -0.000 0.000 0.287 261 V C 1.208 177.331 176.094 0.049 0.000 1.022 261 V CA 0.646 62.997 62.300 0.085 0.000 1.067 261 V CB 0.149 31.982 31.823 0.017 0.000 0.967 261 V HN 0.844 nan 8.190 nan 0.000 0.479 262 I N 1.419 122.012 120.570 0.038 0.000 4.139 262 I HA 0.483 4.653 4.170 -0.000 0.000 0.320 262 I C 0.665 176.750 176.117 -0.053 0.000 1.290 262 I CA 0.221 61.523 61.300 0.004 0.000 1.253 262 I CB 0.374 38.385 38.000 0.018 0.000 1.122 262 I HN 0.510 nan 8.210 nan 0.000 0.421 263 K N 1.566 121.917 120.400 -0.082 0.000 2.527 263 K HA 0.661 4.981 4.320 -0.000 0.000 0.260 263 K C -1.795 174.695 176.600 -0.183 0.000 0.937 263 K CA -0.660 55.542 56.287 -0.141 0.000 0.826 263 K CB 2.971 35.423 32.500 -0.081 0.000 1.359 263 K HN 0.148 nan 8.250 nan 0.000 0.434 264 I N 3.790 124.195 120.570 -0.274 0.000 2.468 264 I HA 0.225 4.395 4.170 -0.000 0.000 0.284 264 I C -0.798 175.253 176.117 -0.109 0.000 1.038 264 I CA -0.656 60.505 61.300 -0.231 0.000 1.083 264 I CB 1.996 39.755 38.000 -0.402 0.000 1.223 264 I HN 0.510 nan 8.210 nan 0.000 0.443 265 Q N 5.024 124.792 119.800 -0.053 0.000 2.274 265 Q HA 0.468 4.808 4.340 -0.000 0.000 0.260 265 Q C -0.754 175.247 176.000 0.001 0.000 0.974 265 Q CA -0.938 54.858 55.803 -0.012 0.000 0.876 265 Q CB 3.237 31.965 28.738 -0.017 0.000 1.297 265 Q HN 0.365 nan 8.270 nan 0.000 0.446 266 K N 2.011 122.424 120.400 0.021 0.000 2.265 266 K HA 0.313 4.633 4.320 -0.000 0.000 0.267 266 K C -1.141 175.464 176.600 0.007 0.000 0.994 266 K CA -0.326 55.971 56.287 0.017 0.000 0.860 266 K CB 0.601 33.124 32.500 0.039 0.000 1.099 266 K HN 0.432 nan 8.250 nan 0.000 0.448 267 N N 3.544 122.241 118.700 -0.006 0.000 2.800 267 N HA 0.321 5.061 4.740 -0.000 0.000 0.240 267 N C -0.442 175.062 175.510 -0.009 0.000 1.096 267 N CA 0.485 53.531 53.050 -0.006 0.000 0.877 267 N CB 1.581 40.063 38.487 -0.009 0.000 1.138 267 N HN 0.851 nan 8.380 nan 0.000 0.509 268 A N 1.836 124.654 122.820 -0.003 0.000 5.059 268 A HA -0.318 4.002 4.320 -0.000 0.000 0.321 268 A C 0.803 178.380 177.584 -0.013 0.000 1.900 268 A CA 1.331 53.365 52.037 -0.004 0.000 0.710 268 A CB -1.078 17.919 19.000 -0.004 0.000 1.348 268 A HN 0.587 nan 8.150 nan 0.000 0.374 269 E N 0.453 120.637 120.200 -0.026 0.000 2.465 269 E HA 0.195 4.545 4.350 -0.000 0.000 0.195 269 E C -0.165 176.380 176.600 -0.092 0.000 1.028 269 E CA -0.134 56.235 56.400 -0.052 0.000 0.899 269 E CB 0.338 30.012 29.700 -0.043 0.000 1.032 269 E HN 0.371 nan 8.360 nan 0.000 0.468 270 K N 1.005 121.365 120.400 -0.066 0.000 2.295 270 K HA 0.547 4.867 4.320 -0.000 0.000 0.239 270 K C -0.501 176.060 176.600 -0.064 0.000 0.991 270 K CA -0.958 55.284 56.287 -0.076 0.000 0.845 270 K CB 2.648 35.120 32.500 -0.045 0.000 1.197 270 K HN -0.199 nan 8.250 nan 0.000 0.441 271 V N 1.220 121.090 119.914 -0.074 0.000 2.569 271 V HA 0.295 4.415 4.120 -0.000 0.000 0.301 271 V C -0.459 175.601 176.094 -0.057 0.000 1.044 271 V CA -0.862 61.406 62.300 -0.054 0.000 0.874 271 V CB 1.902 33.694 31.823 -0.052 0.000 1.002 271 V HN 0.706 nan 8.190 nan 0.000 0.424 272 T N 4.205 118.734 114.554 -0.042 0.000 2.799 272 T HA 0.580 4.930 4.350 -0.000 0.000 0.286 272 T C -0.259 174.416 174.700 -0.042 0.000 0.973 272 T CA -0.340 61.737 62.100 -0.039 0.000 1.035 272 T CB 1.588 70.438 68.868 -0.030 0.000 0.932 272 T HN 0.390 nan 8.240 nan 0.000 0.469 273 V N 4.446 124.344 119.914 -0.026 0.000 2.350 273 V HA 0.353 4.473 4.120 -0.000 0.000 0.285 273 V C 0.022 176.142 176.094 0.043 0.000 1.014 273 V CA -0.799 61.498 62.300 -0.004 0.000 0.831 273 V CB 1.409 33.237 31.823 0.009 0.000 1.000 273 V HN 0.701 nan 8.190 nan 0.000 0.433 274 V N 6.340 126.251 119.914 -0.004 0.000 2.567 274 V HA 0.603 4.723 4.120 -0.000 0.000 0.289 274 V C -0.553 175.567 176.094 0.042 0.000 1.049 274 V CA -0.484 61.785 62.300 -0.052 0.000 0.969 274 V CB 1.130 32.909 31.823 -0.072 0.000 0.995 274 V HN 0.911 nan 8.190 nan 0.000 0.471 275 Y N 1.578 121.865 120.300 -0.022 0.000 2.519 275 Y HA 0.625 5.175 4.550 -0.000 0.000 0.336 275 Y C -0.674 175.229 175.900 0.006 0.000 1.089 275 Y CA -1.531 56.562 58.100 -0.011 0.000 1.025 275 Y CB 1.228 39.683 38.460 -0.010 0.000 1.318 275 Y HN 0.715 nan 8.280 nan 0.000 0.452 276 Q N 2.286 122.184 119.800 0.164 0.000 2.256 276 Q HA 0.528 4.868 4.340 -0.000 0.000 0.254 276 Q C -0.089 176.034 176.000 0.206 0.000 0.916 276 Q CA -0.557 55.309 55.803 0.104 0.000 0.932 276 Q CB 1.917 30.693 28.738 0.064 0.000 1.207 276 Q HN 0.848 nan 8.270 nan 0.000 0.426 277 T N -0.336 114.321 114.554 0.172 0.000 2.770 277 T HA 0.250 4.600 4.350 -0.000 0.000 0.281 277 T C -1.622 173.142 174.700 0.106 0.000 0.981 277 T CA -1.301 60.909 62.100 0.183 0.000 0.955 277 T CB 0.320 69.284 68.868 0.160 0.000 1.060 277 T HN 0.335 nan 8.240 nan 0.000 0.531 278 P HA -0.233 nan 4.420 nan 0.000 0.208 278 P C 1.737 179.066 177.300 0.049 0.000 0.999 278 P CA 2.275 65.410 63.100 0.059 0.000 0.988 278 P CB -0.767 30.959 31.700 0.044 0.000 0.745 279 A N 0.103 122.946 122.820 0.038 0.000 2.067 279 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 279 A C 1.290 178.890 177.584 0.027 0.000 1.395 279 A CA 3.711 55.764 52.037 0.027 0.000 0.821 279 A CB -1.197 17.816 19.000 0.022 0.000 0.822 279 A HN 0.529 nan 8.150 nan 0.000 0.502 280 K N -1.838 118.578 120.400 0.025 0.000 2.887 280 K HA 0.114 4.434 4.320 -0.000 0.000 0.118 280 K C -1.075 175.531 176.600 0.010 0.000 1.111 280 K CA 0.074 56.373 56.287 0.021 0.000 1.070 280 K CB -0.699 31.810 32.500 0.014 0.000 0.936 280 K HN 0.554 nan 8.250 nan 0.000 0.362 281 E N 2.209 122.415 120.200 0.010 0.000 2.249 281 E HA 0.413 4.763 4.350 -0.000 0.000 0.280 281 E C -0.389 176.190 176.600 -0.035 0.000 1.016 281 E CA -0.432 55.962 56.400 -0.010 0.000 0.830 281 E CB 1.296 30.993 29.700 -0.005 0.000 1.081 281 E HN 0.140 nan 8.360 nan 0.000 0.395 282 M N 1.667 121.224 119.600 -0.072 0.000 2.444 282 M HA 0.663 5.143 4.480 -0.000 0.000 0.319 282 M C -0.372 175.790 176.300 -0.231 0.000 1.183 282 M CA -0.525 54.688 55.300 -0.144 0.000 1.032 282 M CB 1.771 34.304 32.600 -0.111 0.000 1.569 282 M HN 0.653 nan 8.290 nan 0.000 0.468 283 A N 0.922 123.467 122.820 -0.458 0.000 2.610 283 A HA 0.853 5.173 4.320 -0.000 0.000 0.291 283 A C -1.114 176.084 177.584 -0.643 0.000 1.086 283 A CA -0.636 51.099 52.037 -0.502 0.000 0.677 283 A CB 1.632 20.322 19.000 -0.517 0.000 1.278 283 A HN 0.822 nan 8.150 nan 0.000 0.414 284 S N -0.853 114.652 115.700 -0.325 0.000 2.661 284 S HA 0.871 5.341 4.470 -0.000 0.000 0.285 284 S C -1.204 173.402 174.600 0.009 0.000 1.138 284 S CA -0.451 57.655 58.200 -0.157 0.000 0.855 284 S CB 1.415 64.558 63.200 -0.094 0.000 1.136 284 S HN 2.220 nan 8.310 nan 0.000 0.484 285 V N 0.838 120.793 119.914 0.068 0.000 2.851 285 V HA 0.702 4.822 4.120 -0.000 0.000 0.307 285 V C -1.201 174.898 176.094 0.009 0.000 1.129 285 V CA -0.098 62.252 62.300 0.084 0.000 0.932 285 V CB 2.068 33.968 31.823 0.129 0.000 1.024 285 V HN 1.149 nan 8.190 nan 0.000 0.426 286 T N 5.897 120.459 114.554 0.013 0.000 2.824 286 T HA 0.908 5.258 4.350 -0.000 0.000 0.280 286 T C -0.040 174.599 174.700 -0.101 0.000 0.995 286 T CA 0.315 62.397 62.100 -0.031 0.000 1.009 286 T CB 1.528 70.400 68.868 0.007 0.000 0.955 286 T HN 1.316 nan 8.240 nan 0.000 0.452 287 A N 1.680 124.400 122.820 -0.167 0.000 2.524 287 A HA 0.718 5.038 4.320 -0.000 0.000 0.289 287 A C 0.104 177.593 177.584 -0.159 0.000 1.248 287 A CA -0.634 51.255 52.037 -0.247 0.000 0.712 287 A CB 0.877 19.605 19.000 -0.453 0.000 1.312 287 A HN 0.677 nan 8.150 nan 0.000 0.441 288 D N -1.449 118.848 120.400 -0.171 0.000 2.323 288 D HA 0.182 4.822 4.640 -0.000 0.000 0.218 288 D C -0.646 175.259 176.300 -0.659 0.000 0.973 288 D CA 1.679 55.459 54.000 -0.367 0.000 0.890 288 D CB 0.207 40.821 40.800 -0.310 0.000 1.011 288 D HN 0.429 nan 8.370 nan 0.000 0.499 289 Y N -0.443 119.840 120.300 -0.027 0.000 2.581 289 Y HA 0.486 5.036 4.550 -0.000 0.000 0.345 289 Y C -0.297 175.580 175.900 -0.039 0.000 1.036 289 Y CA -1.035 57.064 58.100 -0.002 0.000 1.042 289 Y CB 2.248 40.689 38.460 -0.032 0.000 1.289 289 Y HN -0.414 nan 8.280 nan 0.000 0.471 290 V N 3.518 123.539 119.914 0.178 0.000 2.760 290 V HA 0.487 4.607 4.120 -0.000 0.000 0.309 290 V C -0.838 175.284 176.094 0.046 0.000 1.077 290 V CA -0.880 61.450 62.300 0.051 0.000 0.910 290 V CB 2.194 34.018 31.823 0.001 0.000 1.008 290 V HN 0.560 nan 8.190 nan 0.000 0.424 291 I N 4.285 124.850 120.570 -0.008 0.000 2.382 291 I HA 0.391 4.561 4.170 -0.000 0.000 0.285 291 I C -0.450 175.634 176.117 -0.055 0.000 1.007 291 I CA -0.824 60.457 61.300 -0.032 0.000 1.142 291 I CB 1.931 39.928 38.000 -0.006 0.000 1.289 291 I HN 0.269 nan 8.210 nan 0.000 0.453 292 V N 5.778 125.611 119.914 -0.136 0.000 2.427 292 V HA 0.047 4.167 4.120 -0.000 0.000 0.268 292 V C 0.413 176.587 176.094 0.134 0.000 1.046 292 V CA -0.053 62.256 62.300 0.014 0.000 0.970 292 V CB 0.984 32.856 31.823 0.082 0.000 1.001 292 V HN 0.918 nan 8.190 nan 0.000 0.476 293 C N 3.574 122.950 119.300 0.128 0.000 2.742 293 C HA 0.251 4.711 4.460 -0.000 0.000 0.283 293 C C 1.331 176.422 174.990 0.169 0.000 1.451 293 C CA -0.353 58.752 59.018 0.145 0.000 1.785 293 C CB -1.009 26.776 27.740 0.075 0.000 2.664 293 C HN 0.949 nan 8.230 nan 0.000 0.544 294 T N -0.856 113.820 114.554 0.204 0.000 2.902 294 T HA 0.485 4.835 4.350 -0.000 0.000 0.280 294 T C 0.468 175.280 174.700 0.186 0.000 0.992 294 T CA -0.049 62.149 62.100 0.163 0.000 1.015 294 T CB 1.015 69.970 68.868 0.145 0.000 1.044 294 T HN 0.434 nan 8.240 nan 0.000 0.520 295 T N -0.323 114.266 114.554 0.059 0.000 2.795 295 T HA 0.154 4.504 4.350 -0.000 0.000 0.314 295 T C 1.750 176.283 174.700 -0.279 0.000 1.069 295 T CA -0.125 61.896 62.100 -0.132 0.000 1.071 295 T CB 0.268 69.067 68.868 -0.115 0.000 0.988 295 T HN 0.907 nan 8.240 nan 0.000 0.543 296 S N 1.413 116.731 115.700 -0.637 0.000 2.383 296 S HA -0.185 4.285 4.470 -0.000 0.000 0.229 296 S C 1.966 176.510 174.600 -0.094 0.000 1.030 296 S CA 0.602 58.612 58.200 -0.316 0.000 1.002 296 S CB -0.521 62.560 63.200 -0.197 0.000 0.829 296 S HN 0.747 nan 8.310 nan 0.000 0.467 297 R N 1.474 121.894 120.500 -0.135 0.000 2.090 297 R HA 0.191 4.531 4.340 -0.000 0.000 0.228 297 R C 2.692 178.972 176.300 -0.033 0.000 1.110 297 R CA 1.077 57.121 56.100 -0.092 0.000 0.973 297 R CB -0.748 29.445 30.300 -0.178 0.000 0.869 297 R HN 0.581 nan 8.270 nan 0.000 0.440 298 A N 0.689 123.493 122.820 -0.026 0.000 2.067 298 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 298 A C 2.039 179.682 177.584 0.098 0.000 1.158 298 A CA 1.440 53.502 52.037 0.042 0.000 0.661 298 A CB -0.466 18.573 19.000 0.065 0.000 0.801 298 A HN 0.212 nan 8.150 nan 0.000 0.452 299 T N -0.214 114.412 114.554 0.119 0.000 2.777 299 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 299 T C 1.944 176.791 174.700 0.246 0.000 1.040 299 T CA 1.332 63.572 62.100 0.233 0.000 1.141 299 T CB -0.231 68.792 68.868 0.257 0.000 0.868 299 T HN 0.522 nan 8.240 nan 0.000 0.444 300 R N 0.788 121.372 120.500 0.140 0.000 2.249 300 R HA 0.038 4.378 4.340 -0.000 0.000 0.230 300 R C 2.543 178.920 176.300 0.129 0.000 1.121 300 R CA 0.750 56.923 56.100 0.122 0.000 0.997 300 R CB -0.096 30.239 30.300 0.058 0.000 0.867 300 R HN 0.301 nan 8.270 nan 0.000 0.465 301 R N 0.381 120.949 120.500 0.114 0.000 2.153 301 R HA 0.068 4.408 4.340 -0.000 0.000 0.218 301 R C 0.753 177.109 176.300 0.093 0.000 1.072 301 R CA 0.552 56.705 56.100 0.087 0.000 0.990 301 R CB -0.038 30.301 30.300 0.066 0.000 0.889 301 R HN 0.172 nan 8.270 nan 0.000 0.452 302 I N 2.209 122.857 120.570 0.129 0.000 2.496 302 I HA 0.015 4.185 4.170 -0.000 0.000 0.285 302 I C 0.617 176.761 176.117 0.045 0.000 1.080 302 I CA -0.039 61.277 61.300 0.027 0.000 1.404 302 I CB 0.692 38.644 38.000 -0.081 0.000 1.403 302 I HN -0.153 nan 8.210 nan 0.000 0.539 303 K N 6.733 127.104 120.400 -0.049 0.000 2.276 303 K HA 0.350 4.670 4.320 -0.000 0.000 0.285 303 K C -1.324 175.219 176.600 -0.095 0.000 1.062 303 K CA -0.292 56.007 56.287 0.021 0.000 0.918 303 K CB 0.538 33.044 32.500 0.009 0.000 1.055 303 K HN 0.275 nan 8.250 nan 0.000 0.477 304 F N 2.652 122.633 119.950 0.052 0.000 2.443 304 F HA 0.303 4.830 4.527 -0.000 0.000 0.335 304 F C -0.002 175.823 175.800 0.041 0.000 1.104 304 F CA -0.478 57.556 58.000 0.056 0.000 1.013 304 F CB 1.784 40.831 39.000 0.079 0.000 1.136 304 F HN 0.456 nan 8.300 nan 0.000 0.470 305 E N 4.704 125.014 120.200 0.182 0.000 2.316 305 E HA 0.259 4.609 4.350 -0.000 0.000 0.254 305 E C -2.617 174.052 176.600 0.115 0.000 0.902 305 E CA -2.003 54.468 56.400 0.117 0.000 0.801 305 E CB 2.027 31.762 29.700 0.058 0.000 1.270 305 E HN 0.243 nan 8.360 nan 0.000 0.414 306 P HA 0.232 nan 4.420 nan 0.000 0.274 306 P C -2.593 174.795 177.300 0.147 0.000 1.256 306 P CA -1.566 61.597 63.100 0.104 0.000 0.795 306 P CB 0.016 31.759 31.700 0.071 0.000 1.038 307 P HA 0.100 nan 4.420 nan 0.000 0.269 307 P C -0.089 177.231 177.300 0.034 0.000 1.217 307 P CA 0.200 63.361 63.100 0.102 0.000 0.783 307 P CB 0.224 31.960 31.700 0.060 0.000 0.898 308 L N 3.534 124.720 121.223 -0.060 0.000 2.426 308 L HA 0.229 4.569 4.340 -0.000 0.000 0.271 308 L C -1.480 175.339 176.870 -0.084 0.000 1.169 308 L CA -1.778 52.965 54.840 -0.162 0.000 0.836 308 L CB -0.271 41.579 42.059 -0.348 0.000 1.112 308 L HN 0.320 nan 8.230 nan 0.000 0.465 309 P HA 0.060 nan 4.420 nan 0.000 0.268 309 P C -2.290 174.988 177.300 -0.037 0.000 1.208 309 P CA -1.146 61.930 63.100 -0.039 0.000 0.777 309 P CB 0.085 31.765 31.700 -0.033 0.000 0.875 310 P HA -0.203 nan 4.420 nan 0.000 0.217 310 P C 1.577 178.902 177.300 0.040 0.000 1.162 310 P CA 2.123 65.226 63.100 0.005 0.000 0.901 310 P CB -0.083 31.622 31.700 0.009 0.000 0.793 311 K N -0.500 119.926 120.400 0.043 0.000 2.057 311 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 311 K C 2.199 178.833 176.600 0.056 0.000 1.049 311 K CA 1.380 57.718 56.287 0.086 0.000 0.931 311 K CB -0.247 32.281 32.500 0.048 0.000 0.714 311 K HN 0.040 nan 8.250 nan 0.000 0.440 312 K N 0.462 120.845 120.400 -0.029 0.000 2.097 312 K HA -0.088 4.232 4.320 -0.000 0.000 0.205 312 K C 2.024 178.558 176.600 -0.110 0.000 1.050 312 K CA 1.071 57.291 56.287 -0.111 0.000 0.938 312 K CB -0.039 32.334 32.500 -0.212 0.000 0.718 312 K HN 0.118 nan 8.250 nan 0.000 0.442 313 A N 0.386 123.162 122.820 -0.073 0.000 1.883 313 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 313 A C 1.983 179.563 177.584 -0.007 0.000 1.186 313 A CA 1.861 53.864 52.037 -0.057 0.000 0.624 313 A CB -0.998 17.978 19.000 -0.039 0.000 0.822 313 A HN 0.592 nan 8.150 nan 0.000 0.444 314 H N -0.724 118.292 119.070 -0.090 0.000 2.319 314 H HA -0.076 4.480 4.556 -0.000 0.000 0.299 314 H C 2.379 177.484 175.328 -0.372 0.000 1.092 314 H CA 1.127 57.104 56.048 -0.119 0.000 1.302 314 H CB -0.025 29.756 29.762 0.032 0.000 1.373 314 H HN 0.478 nan 8.280 nan 0.000 0.497 315 A N 0.988 123.607 122.820 -0.335 0.000 1.908 315 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 315 A C 2.501 179.879 177.584 -0.343 0.000 1.181 315 A CA 1.534 53.158 52.037 -0.688 0.000 0.627 315 A CB -0.862 18.003 19.000 -0.226 0.000 0.818 315 A HN 0.460 nan 8.150 nan 0.000 0.445 316 L N -1.243 119.888 121.223 -0.155 0.000 2.131 316 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 316 L C 2.805 179.651 176.870 -0.040 0.000 1.092 316 L CA 1.792 56.594 54.840 -0.065 0.000 0.759 316 L CB -0.459 41.567 42.059 -0.055 0.000 0.903 316 L HN 0.530 nan 8.230 nan 0.000 0.435 317 R N -0.367 120.106 120.500 -0.045 0.000 2.075 317 R HA -0.078 4.262 4.340 -0.000 0.000 0.226 317 R C 2.162 178.476 176.300 0.023 0.000 1.114 317 R CA 1.625 57.728 56.100 0.005 0.000 0.972 317 R CB 0.048 30.364 30.300 0.027 0.000 0.869 317 R HN 0.146 nan 8.270 nan 0.000 0.437 318 S N 0.013 115.677 115.700 -0.059 0.000 2.486 318 S HA 0.132 4.602 4.470 -0.000 0.000 0.220 318 S C 0.259 174.881 174.600 0.038 0.000 1.011 318 S CA -0.142 58.045 58.200 -0.021 0.000 0.921 318 S CB 0.640 63.808 63.200 -0.053 0.000 0.785 318 S HN 0.056 nan 8.310 nan 0.000 0.517 319 V N 4.075 123.965 119.914 -0.040 0.000 2.506 319 V HA -0.037 4.083 4.120 -0.000 0.000 0.296 319 V C 0.482 176.742 176.094 0.276 0.000 1.004 319 V CA 0.209 62.617 62.300 0.180 0.000 1.150 319 V CB -0.812 31.133 31.823 0.203 0.000 0.911 319 V HN 0.423 nan 8.190 nan 0.000 0.476 320 H N 5.217 124.416 119.070 0.215 0.000 2.771 320 H HA 0.351 4.907 4.556 -0.000 0.000 0.364 320 H C -0.894 174.458 175.328 0.040 0.000 1.133 320 H CA 0.346 56.522 56.048 0.214 0.000 1.423 320 H CB 0.316 30.236 29.762 0.264 0.000 1.425 320 H HN 0.543 nan 8.280 nan 0.000 0.606 321 Y N 1.901 121.887 120.300 -0.522 0.000 2.499 321 Y HA 0.441 4.991 4.550 -0.000 0.000 0.347 321 Y C 0.049 175.660 175.900 -0.482 0.000 0.987 321 Y CA -0.901 56.980 58.100 -0.366 0.000 1.044 321 Y CB 1.606 39.958 38.460 -0.180 0.000 1.245 321 Y HN 0.508 nan 8.280 nan 0.000 0.461 322 R N 1.069 121.534 120.500 -0.057 0.000 2.514 322 R HA 0.552 4.892 4.340 -0.000 0.000 0.301 322 R C -0.558 175.808 176.300 0.109 0.000 0.962 322 R CA -0.678 55.444 56.100 0.035 0.000 0.882 322 R CB 1.753 32.086 30.300 0.055 0.000 1.143 322 R HN 0.691 nan 8.270 nan 0.000 0.452 323 S N 0.277 116.062 115.700 0.141 0.000 2.576 323 S HA 0.341 4.811 4.470 -0.000 0.000 0.272 323 S C 0.281 175.001 174.600 0.201 0.000 1.352 323 S CA -0.265 58.042 58.200 0.178 0.000 1.021 323 S CB 1.177 64.484 63.200 0.178 0.000 0.887 323 S HN 0.758 nan 8.310 nan 0.000 0.542 324 G N 0.776 109.747 108.800 0.284 0.000 2.733 324 G HA2 0.547 4.507 3.960 -0.000 0.000 0.289 324 G HA3 0.547 4.507 3.960 -0.000 0.000 0.289 324 G C -1.171 173.987 174.900 0.430 0.000 1.473 324 G CA -0.468 44.853 45.100 0.367 0.000 1.123 324 G HN 0.576 nan 8.290 nan 0.000 0.544 325 T N 1.770 116.541 114.554 0.362 0.000 2.916 325 T HA 0.572 4.922 4.350 -0.000 0.000 0.298 325 T C -0.550 174.274 174.700 0.206 0.000 1.031 325 T CA -0.649 61.589 62.100 0.231 0.000 0.993 325 T CB 2.047 70.999 68.868 0.139 0.000 1.045 325 T HN 0.418 nan 8.240 nan 0.000 0.454 326 K N 2.505 122.929 120.400 0.040 0.000 2.397 326 K HA 0.627 4.947 4.320 -0.000 0.000 0.253 326 K C -1.046 175.313 176.600 -0.403 0.000 0.932 326 K CA -0.663 55.493 56.287 -0.217 0.000 0.795 326 K CB 2.240 34.525 32.500 -0.359 0.000 1.159 326 K HN 0.481 nan 8.250 nan 0.000 0.424 327 I N 3.654 123.920 120.570 -0.507 0.000 2.378 327 I HA 0.387 4.557 4.170 -0.000 0.000 0.291 327 I C -0.846 175.005 176.117 -0.444 0.000 0.992 327 I CA -0.808 60.292 61.300 -0.334 0.000 1.154 327 I CB 0.776 38.580 38.000 -0.326 0.000 1.315 327 I HN 0.357 nan 8.210 nan 0.000 0.448 328 F N 6.316 126.262 119.950 -0.007 0.000 2.492 328 F HA 0.638 5.165 4.527 -0.000 0.000 0.327 328 F C -0.419 175.319 175.800 -0.102 0.000 1.079 328 F CA -0.916 57.053 58.000 -0.052 0.000 0.967 328 F CB 1.387 40.367 39.000 -0.032 0.000 1.169 328 F HN 0.136 nan 8.300 nan 0.000 0.472 329 L N 1.683 122.910 121.223 0.007 0.000 2.409 329 L HA 0.531 4.871 4.340 -0.000 0.000 0.272 329 L C -0.452 176.263 176.870 -0.257 0.000 0.980 329 L CA -0.233 54.533 54.840 -0.124 0.000 0.826 329 L CB 2.275 44.312 42.059 -0.037 0.000 1.268 329 L HN 0.566 nan 8.230 nan 0.000 0.407 330 T N 2.194 116.428 114.554 -0.534 0.000 2.758 330 T HA 0.469 4.819 4.350 -0.000 0.000 0.285 330 T C -0.618 173.943 174.700 -0.232 0.000 0.981 330 T CA -0.279 61.444 62.100 -0.628 0.000 0.965 330 T CB 0.385 68.534 68.868 -1.199 0.000 0.927 330 T HN 0.525 nan 8.240 nan 0.000 0.448 331 c N 3.053 121.629 118.600 -0.041 0.000 2.382 331 c HA 0.487 5.057 4.570 -0.000 0.000 0.327 331 c C 2.051 176.189 174.090 0.080 0.000 1.250 331 c CA -0.785 55.622 56.329 0.130 0.000 1.707 331 c CB 0.838 43.507 42.510 0.265 0.000 2.272 331 c HN 1.043 nan 8.230 nan 0.000 0.506 332 T N -1.994 112.633 114.554 0.122 0.000 3.067 332 T HA 0.051 4.401 4.350 -0.000 0.000 0.257 332 T C 0.503 175.216 174.700 0.023 0.000 1.105 332 T CA 0.687 62.836 62.100 0.082 0.000 1.104 332 T CB 0.147 69.084 68.868 0.115 0.000 0.925 332 T HN 0.620 nan 8.240 nan 0.000 0.498 333 K N 2.074 122.476 120.400 0.004 0.000 2.572 333 K HA 0.247 4.567 4.320 -0.000 0.000 0.244 333 K C -0.924 175.441 176.600 -0.391 0.000 0.965 333 K CA -0.321 55.852 56.287 -0.190 0.000 0.943 333 K CB 0.982 33.347 32.500 -0.224 0.000 1.154 333 K HN 0.198 nan 8.250 nan 0.000 0.447 334 K N 5.276 125.321 120.400 -0.593 0.000 2.081 334 K HA 0.014 4.334 4.320 -0.000 0.000 0.230 334 K C 1.145 176.917 176.600 -1.381 0.000 1.199 334 K CA -0.115 55.381 56.287 -1.318 0.000 1.130 334 K CB -0.482 31.250 32.500 -1.281 0.000 1.386 334 K HN 0.453 nan 8.250 nan 0.000 0.280 335 F N -0.155 119.254 119.950 -0.901 0.000 2.192 335 F HA -0.227 4.300 4.527 -0.000 0.000 0.301 335 F C 1.670 177.209 175.800 -0.434 0.000 1.079 335 F CA 0.543 58.174 58.000 -0.614 0.000 1.303 335 F CB -0.879 37.878 39.000 -0.404 0.000 1.024 335 F HN 0.470 nan 8.300 nan 0.000 0.494 336 W N 1.406 122.220 121.300 -0.809 0.000 2.392 336 W HA 0.049 4.709 4.660 -0.000 0.000 0.279 336 W C 1.643 177.942 176.519 -0.368 0.000 1.225 336 W CA 1.008 58.045 57.345 -0.514 0.000 1.233 336 W CB -1.214 27.803 29.460 -0.737 0.000 1.122 336 W HN 0.107 nan 8.180 nan 0.000 0.561 337 E N 0.898 120.575 120.200 -0.873 0.000 2.153 337 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 337 E C 1.118 177.522 176.600 -0.326 0.000 0.988 337 E CA 1.442 57.493 56.400 -0.581 0.000 0.811 337 E CB -0.484 28.881 29.700 -0.557 0.000 0.746 337 E HN 0.317 nan 8.360 nan 0.000 0.466 338 D N 0.841 121.084 120.400 -0.262 0.000 2.390 338 D HA -0.083 4.557 4.640 -0.000 0.000 0.235 338 D C 0.536 176.806 176.300 -0.049 0.000 1.040 338 D CA 0.753 54.676 54.000 -0.127 0.000 0.923 338 D CB -0.030 40.710 40.800 -0.099 0.000 0.886 338 D HN 0.371 nan 8.370 nan 0.000 0.532 339 E N -1.029 119.137 120.200 -0.058 0.000 2.660 339 E HA 0.283 4.633 4.350 -0.000 0.000 0.216 339 E C 0.891 177.439 176.600 -0.086 0.000 0.986 339 E CA -0.126 56.278 56.400 0.008 0.000 1.037 339 E CB 1.123 30.916 29.700 0.155 0.000 1.041 339 E HN 0.090 nan 8.360 nan 0.000 0.480 340 G N 2.204 110.905 108.800 -0.165 0.000 2.176 340 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.252 340 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.252 340 G C 0.113 174.798 174.900 -0.359 0.000 1.024 340 G CA -0.030 44.945 45.100 -0.209 0.000 0.755 340 G HN 0.281 nan 8.290 nan 0.000 0.507 341 I N 1.723 122.025 120.570 -0.448 0.000 2.304 341 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 341 I C -0.069 175.754 176.117 -0.489 0.000 1.018 341 I CA -0.648 60.412 61.300 -0.401 0.000 1.260 341 I CB 0.806 38.565 38.000 -0.402 0.000 1.390 341 I HN 0.080 nan 8.210 nan 0.000 0.475 342 H N 5.406 124.466 119.070 -0.016 0.000 2.970 342 H HA 0.419 4.975 4.556 -0.000 0.000 0.315 342 H C 0.508 175.834 175.328 -0.004 0.000 0.992 342 H CA -0.056 56.008 56.048 0.027 0.000 1.363 342 H CB 1.554 31.319 29.762 0.004 0.000 1.532 342 H HN 0.882 nan 8.280 nan 0.000 0.514 343 G N 2.187 111.043 108.800 0.094 0.000 2.645 343 G HA2 0.088 4.048 3.960 -0.000 0.000 0.239 343 G HA3 0.088 4.048 3.960 -0.000 0.000 0.239 343 G C 0.373 175.286 174.900 0.022 0.000 1.331 343 G CA 0.093 45.189 45.100 -0.006 0.000 0.890 343 G HN 1.439 nan 8.290 nan 0.000 0.572 344 G N -1.167 107.612 108.800 -0.035 0.000 2.698 344 G HA2 0.421 4.381 3.960 -0.000 0.000 0.233 344 G HA3 0.421 4.381 3.960 -0.000 0.000 0.233 344 G C -0.127 174.786 174.900 0.022 0.000 1.352 344 G CA 1.343 46.445 45.100 0.003 0.000 0.879 344 G HN 2.574 nan 8.290 nan 0.000 0.567 345 K N -2.099 118.277 120.400 -0.040 0.000 2.579 345 K HA 0.758 5.078 4.320 -0.000 0.000 0.284 345 K C -0.946 175.608 176.600 -0.078 0.000 0.990 345 K CA -0.723 55.426 56.287 -0.230 0.000 0.880 345 K CB 1.478 33.522 32.500 -0.761 0.000 1.488 345 K HN 0.766 nan 8.250 nan 0.000 0.425 346 S N 0.538 116.192 115.700 -0.077 0.000 2.501 346 S HA 0.515 4.985 4.470 -0.000 0.000 0.301 346 S C -0.963 173.542 174.600 -0.157 0.000 1.096 346 S CA -0.621 57.550 58.200 -0.047 0.000 1.063 346 S CB 1.745 65.032 63.200 0.143 0.000 1.042 346 S HN 0.537 nan 8.310 nan 0.000 0.494 347 T N 2.086 116.477 114.554 -0.271 0.000 2.823 347 T HA 0.719 5.069 4.350 -0.000 0.000 0.279 347 T C -0.164 174.452 174.700 -0.139 0.000 0.998 347 T CA -0.497 61.447 62.100 -0.260 0.000 0.994 347 T CB 1.716 70.478 68.868 -0.177 0.000 0.960 347 T HN 0.571 nan 8.240 nan 0.000 0.448 348 T N 0.433 114.854 114.554 -0.222 0.000 2.792 348 T HA 0.408 4.758 4.350 -0.000 0.000 0.303 348 T C -0.804 173.820 174.700 -0.127 0.000 1.310 348 T CA -0.716 61.360 62.100 -0.041 0.000 1.007 348 T CB 1.488 70.380 68.868 0.041 0.000 1.335 348 T HN 0.598 nan 8.240 nan 0.000 0.504 349 D N 1.462 121.847 120.400 -0.026 0.000 2.368 349 D HA 0.240 4.880 4.640 -0.000 0.000 0.218 349 D C 0.681 176.932 176.300 -0.082 0.000 1.112 349 D CA -0.148 53.812 54.000 -0.067 0.000 0.834 349 D CB -0.237 40.546 40.800 -0.030 0.000 0.953 349 D HN 0.375 nan 8.370 nan 0.000 0.505 350 L N -0.011 121.177 121.223 -0.058 0.000 2.479 350 L HA 0.268 4.608 4.340 -0.000 0.000 0.249 350 L C -1.123 175.639 176.870 -0.180 0.000 1.178 350 L CA -2.011 52.774 54.840 -0.091 0.000 0.811 350 L CB 0.504 42.541 42.059 -0.037 0.000 1.187 350 L HN -0.285 nan 8.230 nan 0.000 0.480 351 P HA -0.152 nan 4.420 nan 0.000 0.217 351 P C 1.402 178.723 177.300 0.036 0.000 1.148 351 P CA 1.184 64.085 63.100 -0.332 0.000 0.828 351 P CB 0.215 31.623 31.700 -0.488 0.000 0.783 352 S N -1.493 114.248 115.700 0.069 0.000 2.399 352 S HA -0.151 4.319 4.470 -0.000 0.000 0.231 352 S C 1.233 175.817 174.600 -0.026 0.000 1.022 352 S CA 0.883 59.132 58.200 0.082 0.000 0.983 352 S CB -0.408 62.794 63.200 0.003 0.000 0.803 352 S HN 0.016 nan 8.310 nan 0.000 0.480 353 R N -0.992 119.400 120.500 -0.179 0.000 1.252 353 R HA -0.217 4.123 4.340 -0.000 0.000 0.031 353 R C -0.608 175.167 176.300 -0.876 0.000 0.958 353 R CA 2.081 57.886 56.100 -0.493 0.000 1.965 353 R CB -1.444 28.645 30.300 -0.352 0.000 0.201 353 R HN 0.489 nan 8.270 nan 0.000 0.724 354 F N 0.497 120.419 119.950 -0.047 0.000 2.562 354 F HA 0.509 5.036 4.527 -0.000 0.000 0.319 354 F C 0.079 175.810 175.800 -0.115 0.000 1.154 354 F CA -0.886 57.046 58.000 -0.114 0.000 0.931 354 F CB 1.546 40.518 39.000 -0.048 0.000 1.198 354 F HN -0.132 nan 8.300 nan 0.000 0.444 355 I N 4.322 124.811 120.570 -0.134 0.000 2.354 355 I HA 0.253 4.423 4.170 -0.000 0.000 0.286 355 I C -0.817 174.951 176.117 -0.582 0.000 1.007 355 I CA -0.900 60.231 61.300 -0.281 0.000 1.167 355 I CB 0.720 38.529 38.000 -0.317 0.000 1.320 355 I HN 0.484 nan 8.210 nan 0.000 0.458 356 Y N 5.759 125.809 120.300 -0.418 0.000 2.323 356 Y HA 0.410 4.960 4.550 -0.000 0.000 0.331 356 Y C -0.170 175.291 175.900 -0.732 0.000 1.092 356 Y CA -0.236 57.608 58.100 -0.426 0.000 1.150 356 Y CB 1.207 39.591 38.460 -0.127 0.000 1.200 356 Y HN 0.335 nan 8.280 nan 0.000 0.472 357 Y N 3.833 123.980 120.300 -0.255 0.000 2.361 357 Y HA 0.380 4.930 4.550 -0.000 0.000 0.332 357 Y C -2.028 173.674 175.900 -0.329 0.000 1.101 357 Y CA -3.000 54.783 58.100 -0.528 0.000 1.137 357 Y CB 0.548 38.626 38.460 -0.638 0.000 1.207 357 Y HN 0.417 nan 8.280 nan 0.000 0.463 358 P HA -0.005 nan 4.420 nan 0.000 0.269 358 P C -0.448 176.771 177.300 -0.136 0.000 1.215 358 P CA 0.093 63.073 63.100 -0.199 0.000 0.780 358 P CB 1.030 32.576 31.700 -0.256 0.000 0.898 359 N N 0.078 118.681 118.700 -0.160 0.000 2.184 359 N HA 0.037 4.777 4.740 -0.000 0.000 0.206 359 N C 0.317 175.860 175.510 0.055 0.000 1.151 359 N CA 0.097 53.130 53.050 -0.027 0.000 0.878 359 N CB 0.295 38.775 38.487 -0.012 0.000 1.014 359 N HN 0.654 nan 8.380 nan 0.000 0.512 360 H N -1.411 117.650 119.070 -0.015 0.000 2.865 360 H HA 0.449 5.005 4.556 -0.000 0.000 0.372 360 H C -0.911 174.320 175.328 -0.161 0.000 1.173 360 H CA -0.636 55.354 56.048 -0.096 0.000 1.147 360 H CB 1.062 30.733 29.762 -0.152 0.000 1.805 360 H HN -0.227 nan 8.280 nan 0.000 0.553 361 N N 0.349 118.996 118.700 -0.088 0.000 2.459 361 N HA 0.376 5.116 4.740 -0.000 0.000 0.288 361 N C -1.188 174.206 175.510 -0.193 0.000 1.186 361 N CA -0.328 52.674 53.050 -0.081 0.000 0.917 361 N CB 1.815 40.304 38.487 0.004 0.000 1.219 361 N HN 0.281 nan 8.380 nan 0.000 0.525 362 F N -0.353 119.675 119.950 0.130 0.000 2.551 362 F HA 0.273 4.800 4.527 -0.000 0.000 0.316 362 F C 1.716 177.584 175.800 0.114 0.000 1.089 362 F CA -0.631 57.458 58.000 0.149 0.000 0.915 362 F CB 1.644 40.746 39.000 0.171 0.000 1.186 362 F HN 0.369 nan 8.300 nan 0.000 0.456 363 T N -0.409 114.345 114.554 0.333 0.000 2.699 363 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 363 T C 1.996 176.808 174.700 0.187 0.000 1.036 363 T CA 2.084 64.308 62.100 0.206 0.000 1.147 363 T CB -0.327 68.647 68.868 0.177 0.000 0.862 363 T HN 0.640 nan 8.240 nan 0.000 0.446 364 S N 0.629 116.462 115.700 0.222 0.000 2.507 364 S HA 0.195 4.665 4.470 -0.000 0.000 0.235 364 S C 2.035 176.726 174.600 0.152 0.000 0.988 364 S CA 0.805 59.105 58.200 0.166 0.000 0.944 364 S CB -0.649 62.648 63.200 0.162 0.000 0.762 364 S HN 0.835 nan 8.310 nan 0.000 0.526 365 G N 0.589 109.501 108.800 0.188 0.000 2.176 365 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.253 365 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.253 365 G C 0.257 175.230 174.900 0.122 0.000 0.979 365 G CA 0.245 45.425 45.100 0.133 0.000 0.641 365 G HN 1.506 nan 8.290 nan 0.000 0.530 366 V N -0.900 119.106 119.914 0.154 0.000 3.083 366 V HA 0.905 5.025 4.120 -0.000 0.000 0.306 366 V C 0.786 176.988 176.094 0.180 0.000 1.077 366 V CA 0.157 62.512 62.300 0.091 0.000 1.073 366 V CB 1.677 33.487 31.823 -0.021 0.000 1.081 366 V HN 1.483 nan 8.190 nan 0.000 0.474 367 G N 0.642 109.525 108.800 0.139 0.000 2.571 367 G HA2 0.617 4.577 3.960 -0.000 0.000 0.304 367 G HA3 0.617 4.577 3.960 -0.000 0.000 0.304 367 G C -1.426 173.558 174.900 0.141 0.000 1.314 367 G CA -0.702 44.563 45.100 0.275 0.000 0.975 367 G HN 1.015 nan 8.290 nan 0.000 0.485 368 V N 2.649 122.602 119.914 0.065 0.000 2.357 368 V HA 0.378 4.498 4.120 -0.000 0.000 0.284 368 V C 0.183 176.203 176.094 -0.124 0.000 1.018 368 V CA -0.550 61.715 62.300 -0.058 0.000 0.841 368 V CB 0.939 32.768 31.823 0.010 0.000 0.991 368 V HN 0.602 nan 8.190 nan 0.000 0.437 369 I N 5.517 125.960 120.570 -0.213 0.000 2.612 369 I HA 0.472 4.642 4.170 -0.000 0.000 0.295 369 I C -0.339 175.653 176.117 -0.207 0.000 1.011 369 I CA -0.239 60.839 61.300 -0.370 0.000 1.326 369 I CB 1.233 39.026 38.000 -0.344 0.000 1.427 369 I HN 0.427 nan 8.210 nan 0.000 0.537 370 I N 4.127 124.546 120.570 -0.252 0.000 2.534 370 I HA 0.430 4.600 4.170 -0.000 0.000 0.288 370 I C -0.383 175.641 176.117 -0.155 0.000 1.077 370 I CA -0.620 60.534 61.300 -0.244 0.000 1.051 370 I CB 2.010 39.890 38.000 -0.200 0.000 1.234 370 I HN 0.572 nan 8.210 nan 0.000 0.425 371 A N 5.888 128.594 122.820 -0.189 0.000 2.260 371 A HA 0.660 4.980 4.320 -0.000 0.000 0.308 371 A C -1.509 176.092 177.584 0.027 0.000 1.254 371 A CA -0.217 51.779 52.037 -0.068 0.000 0.874 371 A CB 0.519 19.443 19.000 -0.126 0.000 1.153 371 A HN 0.592 nan 8.150 nan 0.000 0.527 372 Y N 1.773 122.101 120.300 0.046 0.000 2.373 372 Y HA 0.623 5.173 4.550 -0.000 0.000 0.336 372 Y C 0.010 176.034 175.900 0.206 0.000 0.979 372 Y CA -0.928 57.218 58.100 0.077 0.000 1.080 372 Y CB 1.636 40.144 38.460 0.080 0.000 1.190 372 Y HN 0.890 nan 8.280 nan 0.000 0.446 373 G N 5.696 114.476 108.800 -0.033 0.000 2.660 373 G HA2 0.674 4.634 3.960 -0.000 0.000 0.294 373 G HA3 0.674 4.634 3.960 -0.000 0.000 0.294 373 G C -1.643 173.172 174.900 -0.141 0.000 1.369 373 G CA -0.883 44.157 45.100 -0.099 0.000 0.912 373 G HN 0.912 nan 8.290 nan 0.000 0.479 374 I N -1.842 118.663 120.570 -0.107 0.000 3.174 374 I HA 0.923 5.093 4.170 -0.000 0.000 0.313 374 I C 0.894 177.044 176.117 0.055 0.000 1.155 374 I CA -0.394 60.893 61.300 -0.022 0.000 0.977 374 I CB 1.860 39.801 38.000 -0.099 0.000 1.248 374 I HN 1.527 nan 8.210 nan 0.000 0.453 375 G N 2.101 110.960 108.800 0.098 0.000 2.566 375 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.280 375 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.280 375 G C 0.314 175.322 174.900 0.179 0.000 1.225 375 G CA 0.775 45.968 45.100 0.156 0.000 0.966 375 G HN 0.843 nan 8.290 nan 0.000 0.560 376 D N 0.765 121.280 120.400 0.193 0.000 2.264 376 D HA -0.019 4.621 4.640 -0.000 0.000 0.208 376 D C 2.008 178.406 176.300 0.164 0.000 0.966 376 D CA 1.275 55.382 54.000 0.178 0.000 0.864 376 D CB -0.291 40.611 40.800 0.169 0.000 0.933 376 D HN 0.408 nan 8.370 nan 0.000 0.499 377 D N 0.627 121.108 120.400 0.135 0.000 2.123 377 D HA -0.125 4.515 4.640 -0.000 0.000 0.196 377 D C 1.993 178.449 176.300 0.259 0.000 0.992 377 D CA 1.108 55.186 54.000 0.130 0.000 0.833 377 D CB -0.084 40.771 40.800 0.093 0.000 0.954 377 D HN 0.158 nan 8.370 nan 0.000 0.455 378 A N 1.014 123.989 122.820 0.258 0.000 1.929 378 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 378 A C 1.962 179.748 177.584 0.337 0.000 1.176 378 A CA 0.947 53.188 52.037 0.340 0.000 0.628 378 A CB -0.324 18.823 19.000 0.245 0.000 0.816 378 A HN 0.093 nan 8.150 nan 0.000 0.444 379 N N -0.546 118.298 118.700 0.240 0.000 2.149 379 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 379 N C 1.351 176.950 175.510 0.149 0.000 1.019 379 N CA 1.423 54.582 53.050 0.182 0.000 0.857 379 N CB -0.673 37.905 38.487 0.151 0.000 0.997 379 N HN 0.542 nan 8.380 nan 0.000 0.426 380 F N 0.751 120.693 119.950 -0.013 0.000 2.184 380 F HA -0.202 4.324 4.527 -0.000 0.000 0.301 380 F C 1.444 177.096 175.800 -0.247 0.000 1.076 380 F CA 1.403 59.292 58.000 -0.186 0.000 1.295 380 F CB -0.267 38.513 39.000 -0.366 0.000 1.026 380 F HN -0.078 nan 8.300 nan 0.000 0.494 381 F N -0.323 119.662 119.950 0.058 0.000 2.754 381 F HA 0.085 4.612 4.527 -0.000 0.000 0.297 381 F C 2.299 178.077 175.800 -0.036 0.000 1.122 381 F CA 0.529 58.518 58.000 -0.019 0.000 1.400 381 F CB -0.901 38.158 39.000 0.098 0.000 1.117 381 F HN -0.026 nan 8.300 nan 0.000 0.587 382 Q N 1.018 120.904 119.800 0.144 0.000 2.062 382 Q HA -0.253 4.087 4.340 -0.000 0.000 0.209 382 Q C 2.203 178.227 176.000 0.040 0.000 0.996 382 Q CA 2.390 58.248 55.803 0.091 0.000 0.859 382 Q CB -0.220 28.561 28.738 0.071 0.000 0.920 382 Q HN 0.372 nan 8.270 nan 0.000 0.415 383 A N -0.493 122.317 122.820 -0.015 0.000 2.218 383 A HA 0.192 4.512 4.320 -0.000 0.000 0.209 383 A C 0.415 177.982 177.584 -0.027 0.000 1.168 383 A CA -0.097 51.923 52.037 -0.028 0.000 0.804 383 A CB -0.007 18.960 19.000 -0.055 0.000 0.834 383 A HN 0.302 nan 8.150 nan 0.000 0.482 384 L N 1.508 122.718 121.223 -0.021 0.000 2.350 384 L HA 0.305 4.645 4.340 -0.000 0.000 0.275 384 L C -0.109 176.795 176.870 0.057 0.000 1.099 384 L CA -0.952 53.887 54.840 -0.001 0.000 0.808 384 L CB 0.870 42.923 42.059 -0.010 0.000 1.149 384 L HN 0.387 nan 8.230 nan 0.000 0.442 385 D N 0.554 120.985 120.400 0.052 0.000 2.377 385 D HA -0.016 4.624 4.640 -0.000 0.000 0.245 385 D C 0.866 177.247 176.300 0.134 0.000 1.196 385 D CA -0.452 53.604 54.000 0.092 0.000 0.962 385 D CB 0.575 41.422 40.800 0.077 0.000 1.127 385 D HN 0.382 nan 8.370 nan 0.000 0.471 386 F N 0.539 120.500 119.950 0.018 0.000 2.063 386 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 386 F C 2.194 178.013 175.800 0.032 0.000 1.109 386 F CA 2.033 60.044 58.000 0.018 0.000 1.212 386 F CB -0.360 38.645 39.000 0.009 0.000 0.973 386 F HN 0.347 nan 8.300 nan 0.000 0.480 387 K N 0.785 121.156 120.400 -0.049 0.000 2.044 387 K HA -0.205 4.115 4.320 -0.000 0.000 0.210 387 K C 1.789 178.303 176.600 -0.143 0.000 1.049 387 K CA 2.242 58.448 56.287 -0.135 0.000 0.927 387 K CB -0.797 31.704 32.500 0.003 0.000 0.713 387 K HN 0.312 nan 8.250 nan 0.000 0.443 388 D N -0.487 119.878 120.400 -0.058 0.000 2.144 388 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 388 D C 2.014 178.322 176.300 0.013 0.000 0.978 388 D CA 1.250 55.238 54.000 -0.019 0.000 0.833 388 D CB -0.447 40.355 40.800 0.004 0.000 0.961 388 D HN 0.263 nan 8.370 nan 0.000 0.470 389 C N 1.297 120.601 119.300 0.005 0.000 2.453 389 C HA -0.020 4.440 4.460 -0.000 0.000 0.277 389 C C 2.974 177.919 174.990 -0.075 0.000 1.262 389 C CA 0.732 59.804 59.018 0.091 0.000 1.718 389 C CB -1.002 26.735 27.740 -0.005 0.000 2.031 389 C HN 0.360 nan 8.230 nan 0.000 0.480 390 A N 0.954 123.572 122.820 -0.336 0.000 1.883 390 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 390 A C 1.764 179.259 177.584 -0.149 0.000 1.186 390 A CA 2.410 54.243 52.037 -0.340 0.000 0.624 390 A CB -0.742 17.911 19.000 -0.578 0.000 0.822 390 A HN 0.542 nan 8.150 nan 0.000 0.444 391 D N -0.109 120.224 120.400 -0.111 0.000 2.123 391 D HA -0.132 4.508 4.640 -0.000 0.000 0.196 391 D C 1.825 178.121 176.300 -0.006 0.000 0.992 391 D CA 1.212 55.182 54.000 -0.050 0.000 0.833 391 D CB -0.332 40.447 40.800 -0.035 0.000 0.954 391 D HN 0.544 nan 8.370 nan 0.000 0.455 392 I N 0.115 120.715 120.570 0.050 0.000 2.179 392 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 392 I C 2.369 178.532 176.117 0.078 0.000 1.088 392 I CA 0.550 61.914 61.300 0.105 0.000 1.357 392 I CB -0.143 38.011 38.000 0.256 0.000 1.051 392 I HN -0.093 nan 8.210 nan 0.000 0.409 393 V N 1.246 121.199 119.914 0.065 0.000 2.295 393 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 393 V C 2.318 178.404 176.094 -0.013 0.000 1.049 393 V CA 1.949 64.257 62.300 0.014 0.000 1.024 393 V CB -0.427 31.368 31.823 -0.048 0.000 0.648 393 V HN 0.333 nan 8.190 nan 0.000 0.447 394 I N 0.341 120.896 120.570 -0.026 0.000 2.286 394 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 394 I C 2.385 178.473 176.117 -0.049 0.000 1.115 394 I CA 1.335 62.617 61.300 -0.031 0.000 1.392 394 I CB -0.506 37.471 38.000 -0.038 0.000 1.065 394 I HN 0.383 nan 8.210 nan 0.000 0.418 395 N N 0.812 119.484 118.700 -0.047 0.000 2.142 395 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 395 N C 1.420 176.867 175.510 -0.105 0.000 1.023 395 N CA 1.402 54.412 53.050 -0.068 0.000 0.852 395 N CB -0.328 38.131 38.487 -0.046 0.000 0.998 395 N HN 0.324 nan 8.380 nan 0.000 0.424 396 D N 1.200 121.547 120.400 -0.089 0.000 2.097 396 D HA -0.079 4.561 4.640 -0.000 0.000 0.195 396 D C 2.218 178.418 176.300 -0.167 0.000 0.989 396 D CA 0.534 54.447 54.000 -0.144 0.000 0.827 396 D CB -0.434 40.315 40.800 -0.084 0.000 0.966 396 D HN 0.204 nan 8.370 nan 0.000 0.456 397 L N 0.356 121.543 121.223 -0.061 0.000 2.079 397 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 397 L C 2.542 179.391 176.870 -0.036 0.000 1.081 397 L CA 0.870 55.737 54.840 0.044 0.000 0.752 397 L CB -0.430 41.706 42.059 0.129 0.000 0.896 397 L HN 0.008 nan 8.230 nan 0.000 0.433 398 S N 0.089 115.720 115.700 -0.114 0.000 2.370 398 S HA -0.163 4.307 4.470 -0.000 0.000 0.226 398 S C 1.951 176.422 174.600 -0.216 0.000 1.033 398 S CA 1.357 59.467 58.200 -0.150 0.000 1.011 398 S CB -0.137 62.982 63.200 -0.134 0.000 0.852 398 S HN 0.291 nan 8.310 nan 0.000 0.457 399 L N 0.584 121.613 121.223 -0.323 0.000 2.072 399 L HA 0.022 4.362 4.340 -0.000 0.000 0.205 399 L C 2.310 178.760 176.870 -0.700 0.000 1.079 399 L CA 0.976 55.506 54.840 -0.516 0.000 0.752 399 L CB -0.457 41.163 42.059 -0.732 0.000 0.906 399 L HN 0.330 nan 8.230 nan 0.000 0.436 400 I N -0.904 119.250 120.570 -0.694 0.000 2.226 400 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 400 I C 2.093 177.685 176.117 -0.874 0.000 1.100 400 I CA 1.274 62.156 61.300 -0.696 0.000 1.374 400 I CB -0.338 37.405 38.000 -0.428 0.000 1.057 400 I HN 0.345 nan 8.210 nan 0.000 0.413 401 H N 0.582 119.405 119.070 -0.412 0.000 2.586 401 H HA 0.195 4.751 4.556 -0.000 0.000 0.273 401 H C 0.042 175.212 175.328 -0.263 0.000 0.997 401 H CA -0.007 55.858 56.048 -0.306 0.000 1.177 401 H CB 0.358 30.141 29.762 0.035 0.000 1.471 401 H HN 0.363 nan 8.280 nan 0.000 0.538 402 Q N 0.896 120.568 119.800 -0.213 0.000 2.443 402 Q HA -0.170 4.170 4.340 -0.000 0.000 0.362 402 Q C -1.020 174.930 176.000 -0.083 0.000 1.423 402 Q CA 0.357 56.068 55.803 -0.153 0.000 1.037 402 Q CB -1.070 27.578 28.738 -0.149 0.000 1.208 402 Q HN 0.419 nan 8.270 nan 0.000 0.334 403 L N 0.960 122.123 121.223 -0.100 0.000 2.422 403 L HA 0.593 4.933 4.340 -0.000 0.000 0.264 403 L C -2.278 174.523 176.870 -0.116 0.000 0.984 403 L CA -2.369 52.411 54.840 -0.099 0.000 0.819 403 L CB 2.051 44.014 42.059 -0.161 0.000 1.330 403 L HN 0.042 nan 8.230 nan 0.000 0.410 404 P HA 0.094 nan 4.420 nan 0.000 0.268 404 P C 0.171 177.390 177.300 -0.135 0.000 1.205 404 P CA -0.205 62.831 63.100 -0.107 0.000 0.771 404 P CB 0.712 32.352 31.700 -0.099 0.000 0.858 405 R N 2.431 122.862 120.500 -0.115 0.000 2.105 405 R HA -0.221 4.119 4.340 -0.000 0.000 0.239 405 R C 1.117 177.340 176.300 -0.129 0.000 1.135 405 R CA 1.862 57.894 56.100 -0.113 0.000 0.967 405 R CB -0.158 30.091 30.300 -0.084 0.000 0.861 405 R HN 0.428 nan 8.270 nan 0.000 0.442 406 E N 0.265 120.388 120.200 -0.129 0.000 2.204 406 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 406 E C 1.669 178.129 176.600 -0.233 0.000 0.989 406 E CA 1.350 57.664 56.400 -0.144 0.000 0.824 406 E CB -0.078 29.551 29.700 -0.118 0.000 0.756 406 E HN 0.517 nan 8.360 nan 0.000 0.477 407 E N 0.330 120.357 120.200 -0.287 0.000 2.112 407 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 407 E C 1.861 178.029 176.600 -0.720 0.000 0.979 407 E CA 0.603 56.688 56.400 -0.524 0.000 0.814 407 E CB 0.016 29.495 29.700 -0.367 0.000 0.762 407 E HN 0.233 nan 8.360 nan 0.000 0.460 408 I N 0.937 121.290 120.570 -0.362 0.000 2.252 408 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 408 I C 2.290 178.344 176.117 -0.106 0.000 1.102 408 I CA 1.141 62.323 61.300 -0.196 0.000 1.385 408 I CB -0.235 37.664 38.000 -0.168 0.000 1.064 408 I HN 0.183 nan 8.210 nan 0.000 0.414 409 Q N -0.151 119.570 119.800 -0.132 0.000 2.364 409 Q HA -0.131 4.209 4.340 -0.000 0.000 0.207 409 Q C 1.901 177.863 176.000 -0.063 0.000 0.970 409 Q CA 1.417 57.186 55.803 -0.056 0.000 0.888 409 Q CB -0.047 28.655 28.738 -0.059 0.000 0.951 409 Q HN 0.485 nan 8.270 nan 0.000 0.469 410 T N -0.404 114.024 114.554 -0.209 0.000 3.031 410 T HA 0.021 4.371 4.350 -0.000 0.000 0.254 410 T C 0.916 175.595 174.700 -0.035 0.000 1.060 410 T CA 0.479 62.462 62.100 -0.196 0.000 1.135 410 T CB 0.055 68.696 68.868 -0.377 0.000 0.896 410 T HN 0.158 nan 8.240 nan 0.000 0.472 411 F N 1.218 121.204 119.950 0.060 0.000 2.387 411 F HA 0.281 4.808 4.527 -0.000 0.000 0.294 411 F C 1.290 177.181 175.800 0.153 0.000 1.093 411 F CA -1.208 56.855 58.000 0.106 0.000 1.420 411 F CB -0.482 38.612 39.000 0.157 0.000 1.086 411 F HN 0.179 nan 8.300 nan 0.000 0.531 412 c N -1.822 116.977 118.600 0.331 0.000 3.161 412 c HA 0.757 5.327 4.570 -0.000 0.000 0.330 412 c C -0.989 173.265 174.090 0.274 0.000 1.396 412 c CA -1.214 55.280 56.329 0.275 0.000 1.536 412 c CB 1.452 44.119 42.510 0.261 0.000 1.978 412 c HN 0.366 nan 8.230 nan 0.000 0.454 413 Y N -2.159 118.190 120.300 0.081 0.000 2.519 413 Y HA 0.633 5.183 4.550 -0.000 0.000 0.336 413 Y C -3.415 172.545 175.900 0.100 0.000 1.089 413 Y CA -2.699 55.448 58.100 0.078 0.000 1.025 413 Y CB 0.325 38.834 38.460 0.082 0.000 1.318 413 Y HN 0.401 nan 8.280 nan 0.000 0.452 414 P HA 0.138 nan 4.420 nan 0.000 0.269 414 P C 0.311 177.751 177.300 0.233 0.000 1.252 414 P CA 0.437 63.613 63.100 0.126 0.000 0.780 414 P CB 1.137 32.879 31.700 0.069 0.000 0.829 415 S N 3.177 118.851 115.700 -0.044 0.000 2.468 415 S HA 0.313 4.783 4.470 -0.000 0.000 0.226 415 S C 0.555 175.163 174.600 0.013 0.000 1.051 415 S CA 0.238 58.411 58.200 -0.046 0.000 0.943 415 S CB -0.101 62.920 63.200 -0.299 0.000 0.810 415 S HN 0.403 nan 8.310 nan 0.000 0.509 416 M N 0.003 119.650 119.600 0.078 0.000 2.682 416 M HA 0.685 5.165 4.480 -0.000 0.000 0.272 416 M C -2.323 174.135 176.300 0.264 0.000 1.232 416 M CA -0.720 54.515 55.300 -0.109 0.000 0.849 416 M CB 2.163 34.522 32.600 -0.401 0.000 1.695 416 M HN 0.324 nan 8.290 nan 0.000 0.481 417 I N 1.652 122.276 120.570 0.090 0.000 2.827 417 I HA 0.684 4.854 4.170 -0.000 0.000 0.298 417 I C -2.200 173.949 176.117 0.053 0.000 1.235 417 I CA -0.249 61.172 61.300 0.201 0.000 1.021 417 I CB 2.206 40.350 38.000 0.240 0.000 1.259 417 I HN 0.867 nan 8.210 nan 0.000 0.427 418 Q N 5.607 125.433 119.800 0.042 0.000 2.295 418 Q HA 0.438 4.778 4.340 -0.000 0.000 0.259 418 Q C -2.023 173.843 176.000 -0.224 0.000 0.966 418 Q CA -0.523 55.178 55.803 -0.170 0.000 0.763 418 Q CB 1.615 30.258 28.738 -0.158 0.000 1.283 418 Q HN 0.518 nan 8.270 nan 0.000 0.445 419 K N 3.585 123.832 120.400 -0.255 0.000 2.404 419 K HA 0.219 4.539 4.320 -0.000 0.000 0.257 419 K C -0.241 176.247 176.600 -0.186 0.000 1.026 419 K CA -0.287 55.930 56.287 -0.116 0.000 0.951 419 K CB 0.663 33.148 32.500 -0.025 0.000 1.203 419 K HN 0.673 nan 8.250 nan 0.000 0.446 420 W N 1.058 122.400 121.300 0.069 0.000 2.421 420 W HA -0.137 4.523 4.660 -0.000 0.000 0.270 420 W C 1.720 178.254 176.519 0.024 0.000 1.233 420 W CA 0.659 58.033 57.345 0.050 0.000 1.226 420 W CB 0.225 29.722 29.460 0.062 0.000 1.121 420 W HN 0.492 nan 8.180 nan 0.000 0.579 421 S N 0.175 115.995 115.700 0.201 0.000 2.453 421 S HA -0.026 4.444 4.470 -0.000 0.000 0.231 421 S C 1.439 176.069 174.600 0.050 0.000 1.005 421 S CA 0.649 58.919 58.200 0.116 0.000 0.949 421 S CB -0.215 63.048 63.200 0.105 0.000 0.774 421 S HN 0.209 nan 8.310 nan 0.000 0.510 422 L N 1.065 122.300 121.223 0.019 0.000 2.700 422 L HA 0.264 4.604 4.340 -0.000 0.000 0.234 422 L C 0.073 176.908 176.870 -0.058 0.000 1.156 422 L CA -0.124 54.700 54.840 -0.028 0.000 0.946 422 L CB -0.148 41.886 42.059 -0.041 0.000 1.216 422 L HN 0.098 nan 8.230 nan 0.000 0.493 423 D N 1.134 121.524 120.400 -0.017 0.000 2.339 423 D HA 0.004 4.644 4.640 -0.000 0.000 0.256 423 D C 1.473 177.741 176.300 -0.053 0.000 1.214 423 D CA -0.132 53.863 54.000 -0.009 0.000 0.877 423 D CB 0.967 41.880 40.800 0.189 0.000 1.111 423 D HN 0.168 nan 8.370 nan 0.000 0.478 424 K N 2.431 122.712 120.400 -0.199 0.000 2.360 424 K HA -0.223 4.097 4.320 -0.000 0.000 0.201 424 K C 0.535 176.909 176.600 -0.378 0.000 1.046 424 K CA 1.271 57.357 56.287 -0.334 0.000 0.940 424 K CB -0.143 32.066 32.500 -0.486 0.000 0.748 424 K HN 0.473 nan 8.250 nan 0.000 0.465 425 Y N 0.758 121.075 120.300 0.028 0.000 2.396 425 Y HA 0.265 4.815 4.550 -0.000 0.000 0.292 425 Y C 2.764 178.671 175.900 0.012 0.000 1.128 425 Y CA 0.402 58.517 58.100 0.025 0.000 1.194 425 Y CB -0.413 38.070 38.460 0.040 0.000 1.124 425 Y HN 0.118 nan 8.280 nan 0.000 0.543 426 A N 0.043 122.974 122.820 0.185 0.000 1.872 426 A HA -0.098 4.222 4.320 -0.000 0.000 0.214 426 A C 1.492 179.030 177.584 -0.077 0.000 1.187 426 A CA 1.723 53.806 52.037 0.077 0.000 0.614 426 A CB -0.648 18.452 19.000 0.168 0.000 0.826 426 A HN 0.490 nan 8.150 nan 0.000 0.442 427 M N -2.764 116.804 119.600 -0.053 0.000 2.818 427 M HA -0.189 4.291 4.480 -0.000 0.000 0.194 427 M C 0.347 176.506 176.300 -0.235 0.000 0.586 427 M CA 0.669 55.892 55.300 -0.128 0.000 0.664 427 M CB -2.140 30.369 32.600 -0.152 0.000 2.418 427 M HN 1.012 nan 8.290 nan 0.000 0.517 428 G N -1.793 106.900 108.800 -0.178 0.000 2.355 428 G HA2 0.513 4.473 3.960 -0.000 0.000 0.296 428 G HA3 0.513 4.473 3.960 -0.000 0.000 0.296 428 G C -0.060 174.874 174.900 0.056 0.000 1.507 428 G CA -0.314 44.670 45.100 -0.193 0.000 0.823 428 G HN 0.317 nan 8.290 nan 0.000 0.569 429 G N -0.834 108.083 108.800 0.195 0.000 2.632 429 G HA2 0.450 4.410 3.960 -0.000 0.000 0.220 429 G HA3 0.450 4.410 3.960 -0.000 0.000 0.220 429 G C 0.330 175.309 174.900 0.131 0.000 1.439 429 G CA 0.140 45.354 45.100 0.190 0.000 0.934 429 G HN 0.736 nan 8.290 nan 0.000 0.536 430 I N 1.375 122.009 120.570 0.107 0.000 2.406 430 I HA 0.250 4.420 4.170 -0.000 0.000 0.290 430 I C -0.351 175.645 176.117 -0.201 0.000 0.999 430 I CA -0.577 60.702 61.300 -0.035 0.000 1.124 430 I CB 2.148 40.102 38.000 -0.076 0.000 1.289 430 I HN 0.005 nan 8.210 nan 0.000 0.441 431 T N 4.441 118.713 114.554 -0.470 0.000 2.871 431 T HA 0.108 4.458 4.350 -0.000 0.000 0.296 431 T C 0.074 174.412 174.700 -0.604 0.000 0.998 431 T CA 0.337 61.849 62.100 -0.981 0.000 1.162 431 T CB -0.071 68.165 68.868 -1.052 0.000 0.947 431 T HN 0.603 nan 8.240 nan 0.000 0.536 432 T N 4.510 118.815 114.554 -0.416 0.000 3.066 432 T HA 0.333 4.683 4.350 -0.000 0.000 0.318 432 T C -0.471 174.373 174.700 0.239 0.000 0.979 432 T CA -0.674 61.409 62.100 -0.029 0.000 1.025 432 T CB 0.192 69.100 68.868 0.068 0.000 1.002 432 T HN 0.281 nan 8.240 nan 0.000 0.453 433 F N 3.747 123.855 119.950 0.264 0.000 2.538 433 F HA 0.303 4.830 4.527 -0.000 0.000 0.371 433 F C 1.778 177.724 175.800 0.243 0.000 1.087 433 F CA -0.857 57.312 58.000 0.281 0.000 1.250 433 F CB 0.170 39.367 39.000 0.328 0.000 1.110 433 F HN 0.518 nan 8.300 nan 0.000 0.570 434 T N 1.610 116.435 114.554 0.450 0.000 2.862 434 T HA 0.480 4.830 4.350 -0.000 0.000 0.276 434 T C -2.728 172.129 174.700 0.261 0.000 0.974 434 T CA -2.483 59.803 62.100 0.309 0.000 0.966 434 T CB 1.192 70.208 68.868 0.247 0.000 1.072 434 T HN 0.151 nan 8.240 nan 0.000 0.538 435 P HA 0.078 nan 4.420 nan 0.000 0.264 435 P C -0.367 177.035 177.300 0.170 0.000 1.183 435 P CA 0.496 63.686 63.100 0.150 0.000 0.763 435 P CB -0.243 31.562 31.700 0.175 0.000 0.807 436 Y N -0.323 119.931 120.300 -0.077 0.000 4.894 436 Y HA -0.314 4.236 4.550 -0.000 0.000 0.270 436 Y C 1.824 177.480 175.900 -0.407 0.000 0.930 436 Y CA 1.415 59.322 58.100 -0.322 0.000 1.814 436 Y CB -2.214 35.977 38.460 -0.449 0.000 1.235 436 Y HN 0.463 nan 8.280 nan 0.000 0.480 437 Q N -0.517 119.221 119.800 -0.103 0.000 2.230 437 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 437 Q C 1.983 177.624 176.000 -0.598 0.000 0.963 437 Q CA 1.556 57.213 55.803 -0.244 0.000 0.866 437 Q CB -0.268 28.465 28.738 -0.008 0.000 0.931 437 Q HN 0.699 nan 8.270 nan 0.000 0.452 438 F N 2.378 121.984 119.950 -0.572 0.000 2.084 438 F HA -0.215 4.312 4.527 -0.000 0.000 0.296 438 F C 2.384 178.040 175.800 -0.241 0.000 1.111 438 F CA 1.772 59.506 58.000 -0.443 0.000 1.224 438 F CB 0.006 38.964 39.000 -0.071 0.000 0.991 438 F HN 0.003 nan 8.300 nan 0.000 0.471 439 Q N -1.508 118.100 119.800 -0.320 0.000 2.311 439 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 439 Q C 1.471 177.363 176.000 -0.180 0.000 0.954 439 Q CA 1.747 57.355 55.803 -0.325 0.000 0.885 439 Q CB -0.764 27.921 28.738 -0.089 0.000 0.963 439 Q HN 0.628 nan 8.270 nan 0.000 0.471 440 H N -1.755 117.042 119.070 -0.454 0.000 2.582 440 H HA 0.126 4.682 4.556 -0.000 0.000 0.269 440 H C 0.424 175.341 175.328 -0.686 0.000 0.962 440 H CA 0.255 55.921 56.048 -0.637 0.000 1.230 440 H CB 0.605 29.808 29.762 -0.932 0.000 1.445 440 H HN 0.226 nan 8.280 nan 0.000 0.528 441 F N -1.340 118.505 119.950 -0.174 0.000 2.784 441 F HA 0.185 4.712 4.527 -0.000 0.000 0.323 441 F C 2.142 177.837 175.800 -0.176 0.000 1.085 441 F CA -0.121 57.768 58.000 -0.185 0.000 1.196 441 F CB -0.030 38.861 39.000 -0.182 0.000 1.053 441 F HN -0.083 nan 8.300 nan 0.000 0.578 442 S N 0.782 116.395 115.700 -0.144 0.000 2.414 442 S HA -0.235 4.235 4.470 -0.000 0.000 0.225 442 S C 2.065 176.658 174.600 -0.010 0.000 1.041 442 S CA 2.224 60.378 58.200 -0.076 0.000 1.114 442 S CB -0.269 62.677 63.200 -0.423 0.000 1.064 442 S HN 0.452 nan 8.310 nan 0.000 0.420 443 E N 0.308 120.455 120.200 -0.089 0.000 2.070 443 E HA -0.154 4.196 4.350 -0.000 0.000 0.197 443 E C 2.338 178.932 176.600 -0.010 0.000 1.004 443 E CA 1.316 57.694 56.400 -0.037 0.000 0.805 443 E CB -0.428 29.238 29.700 -0.056 0.000 0.744 443 E HN 0.447 nan 8.360 nan 0.000 0.451 444 S N 0.523 116.220 115.700 -0.006 0.000 2.387 444 S HA -0.151 4.319 4.470 -0.000 0.000 0.230 444 S C 1.954 176.531 174.600 -0.038 0.000 1.035 444 S CA 0.886 59.084 58.200 -0.004 0.000 1.014 444 S CB -0.131 63.105 63.200 0.058 0.000 0.836 444 S HN 0.174 nan 8.310 nan 0.000 0.466 445 L N 0.636 121.866 121.223 0.012 0.000 2.109 445 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 445 L C 2.752 179.585 176.870 -0.061 0.000 1.086 445 L CA 1.635 56.469 54.840 -0.010 0.000 0.760 445 L CB -0.663 41.476 42.059 0.133 0.000 0.910 445 L HN 0.504 nan 8.230 nan 0.000 0.437 446 T N -2.976 111.581 114.554 0.005 0.000 3.054 446 T HA 0.245 4.595 4.350 -0.000 0.000 0.259 446 T C 1.014 175.753 174.700 0.065 0.000 1.092 446 T CA 0.248 62.376 62.100 0.047 0.000 1.121 446 T CB -0.183 68.729 68.868 0.074 0.000 0.912 446 T HN 0.181 nan 8.240 nan 0.000 0.489 447 A N 2.324 125.151 122.820 0.012 0.000 2.555 447 A HA 0.489 4.809 4.320 -0.000 0.000 0.233 447 A C 0.857 178.473 177.584 0.054 0.000 1.060 447 A CA 0.033 52.078 52.037 0.014 0.000 0.759 447 A CB -0.102 18.884 19.000 -0.024 0.000 0.995 447 A HN 0.785 nan 8.150 nan 0.000 0.506 448 S N 0.312 116.032 115.700 0.034 0.000 2.747 448 S HA 0.800 5.270 4.470 -0.000 0.000 0.300 448 S C 0.040 174.633 174.600 -0.012 0.000 1.121 448 S CA -0.008 58.203 58.200 0.018 0.000 0.995 448 S CB 1.115 64.054 63.200 -0.436 0.000 1.113 448 S HN 2.012 nan 8.310 nan 0.000 0.547 449 V N -2.056 117.852 119.914 -0.011 0.000 3.155 449 V HA 0.595 4.715 4.120 -0.000 0.000 0.313 449 V C -0.555 175.512 176.094 -0.044 0.000 1.162 449 V CA -1.113 61.191 62.300 0.005 0.000 1.048 449 V CB 1.056 32.927 31.823 0.080 0.000 1.092 449 V HN 0.883 nan 8.190 nan 0.000 0.447 450 D N 1.077 121.485 120.400 0.012 0.000 2.479 450 D HA 0.129 4.769 4.640 -0.000 0.000 0.257 450 D C 1.119 177.460 176.300 0.068 0.000 1.230 450 D CA 1.178 55.203 54.000 0.041 0.000 0.912 450 D CB -0.319 40.510 40.800 0.049 0.000 1.130 450 D HN 0.733 nan 8.370 nan 0.000 0.515 451 R N 1.506 122.094 120.500 0.146 0.000 3.954 451 R HA -0.187 4.153 4.340 -0.000 0.000 0.422 451 R C -0.204 176.254 176.300 0.263 0.000 1.091 451 R CA 0.735 57.011 56.100 0.294 0.000 1.168 451 R CB -1.848 28.498 30.300 0.077 0.000 1.752 451 R HN 0.514 nan 8.270 nan 0.000 0.547 452 I N 0.811 121.403 120.570 0.036 0.000 2.447 452 I HA 0.351 4.521 4.170 -0.000 0.000 0.287 452 I C -0.316 175.574 176.117 -0.378 0.000 1.023 452 I CA -0.847 60.415 61.300 -0.063 0.000 1.083 452 I CB 1.224 39.201 38.000 -0.037 0.000 1.245 452 I HN -0.155 nan 8.210 nan 0.000 0.434 453 Y N 5.259 125.387 120.300 -0.288 0.000 2.496 453 Y HA 0.628 5.178 4.550 -0.000 0.000 0.331 453 Y C -0.509 175.068 175.900 -0.538 0.000 1.140 453 Y CA -0.769 57.187 58.100 -0.241 0.000 1.166 453 Y CB 1.508 39.916 38.460 -0.088 0.000 1.249 453 Y HN 0.259 nan 8.280 nan 0.000 0.479 454 F N 0.593 120.636 119.950 0.155 0.000 2.540 454 F HA 0.797 5.324 4.527 -0.000 0.000 0.317 454 F C -0.018 175.813 175.800 0.051 0.000 1.104 454 F CA -0.820 57.236 58.000 0.095 0.000 0.913 454 F CB 1.768 40.796 39.000 0.046 0.000 1.170 454 F HN 0.527 nan 8.300 nan 0.000 0.450 455 A N 1.418 124.349 122.820 0.186 0.000 2.530 455 A HA 1.012 5.332 4.320 -0.000 0.000 0.288 455 A C -0.295 177.311 177.584 0.037 0.000 1.172 455 A CA -0.416 51.666 52.037 0.075 0.000 0.733 455 A CB 1.691 20.726 19.000 0.058 0.000 1.320 455 A HN 1.694 nan 8.150 nan 0.000 0.419 456 G N -0.925 107.875 108.800 0.000 0.000 2.362 456 G HA2 0.204 4.164 3.960 -0.000 0.000 0.656 456 G HA3 0.204 4.164 3.960 -0.000 0.000 0.656 456 G C 0.297 175.215 174.900 0.031 0.000 1.376 456 G CA 0.308 45.443 45.100 0.058 0.000 0.971 456 G HN 1.037 nan 8.290 nan 0.000 0.636 457 E N -0.592 119.686 120.200 0.131 0.000 2.108 457 E HA -0.334 4.016 4.350 -0.000 0.000 0.203 457 E C 1.925 178.558 176.600 0.055 0.000 1.022 457 E CA 2.521 58.976 56.400 0.090 0.000 0.823 457 E CB -0.213 29.522 29.700 0.059 0.000 0.744 457 E HN 0.818 nan 8.360 nan 0.000 0.456 458 H N -1.863 117.168 119.070 -0.064 0.000 2.563 458 H HA 0.066 4.622 4.556 -0.000 0.000 0.272 458 H C 1.641 177.012 175.328 0.071 0.000 1.005 458 H CA 1.201 57.177 56.048 -0.120 0.000 1.171 458 H CB -0.043 29.698 29.762 -0.034 0.000 1.351 458 H HN 0.150 nan 8.280 nan 0.000 0.602 459 T N -3.123 111.306 114.554 -0.208 0.000 2.985 459 T HA 0.470 4.820 4.350 -0.000 0.000 0.254 459 T C 1.118 175.844 174.700 0.043 0.000 1.021 459 T CA -0.062 61.984 62.100 -0.089 0.000 0.957 459 T CB 0.035 68.804 68.868 -0.165 0.000 1.047 459 T HN 0.462 nan 8.240 nan 0.000 0.511 460 A N 1.503 124.361 122.820 0.063 0.000 2.327 460 A HA 0.465 4.785 4.320 -0.000 0.000 0.255 460 A C 1.151 178.801 177.584 0.110 0.000 1.099 460 A CA -0.327 51.754 52.037 0.073 0.000 0.801 460 A CB 0.373 19.413 19.000 0.068 0.000 1.062 460 A HN 0.446 nan 8.150 nan 0.000 0.496 461 E N -0.392 119.841 120.200 0.055 0.000 2.170 461 E HA 0.169 4.519 4.350 -0.000 0.000 0.191 461 E C 0.508 177.058 176.600 -0.083 0.000 0.981 461 E CA 0.818 57.239 56.400 0.036 0.000 0.830 461 E CB 0.135 29.862 29.700 0.045 0.000 0.775 461 E HN 0.663 nan 8.360 nan 0.000 0.470 462 A N 1.075 123.864 122.820 -0.051 0.000 2.318 462 A HA 0.420 4.740 4.320 -0.000 0.000 0.317 462 A C -1.274 176.364 177.584 0.090 0.000 1.159 462 A CA -0.511 51.500 52.037 -0.043 0.000 0.799 462 A CB 0.286 19.298 19.000 0.019 0.000 1.194 462 A HN 0.152 nan 8.150 nan 0.000 0.479 463 H N 0.586 119.671 119.070 0.025 0.000 2.502 463 H HA 0.476 5.032 4.556 -0.000 0.000 0.327 463 H C 1.166 176.449 175.328 -0.075 0.000 1.099 463 H CA 0.296 56.304 56.048 -0.067 0.000 1.323 463 H CB 1.269 30.911 29.762 -0.201 0.000 1.450 463 H HN 1.257 nan 8.280 nan 0.000 0.502 464 G N 2.166 110.932 108.800 -0.056 0.000 2.132 464 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.228 464 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.228 464 G C -0.861 173.644 174.900 -0.659 0.000 1.000 464 G CA -0.331 44.550 45.100 -0.365 0.000 0.693 464 G HN 0.637 nan 8.290 nan 0.000 0.515 465 W N -1.176 120.127 121.300 0.006 0.000 3.097 465 W HA 0.648 5.308 4.660 -0.000 0.000 0.335 465 W C 1.216 177.717 176.519 -0.031 0.000 1.114 465 W CA -1.188 56.163 57.345 0.010 0.000 1.231 465 W CB 0.721 30.206 29.460 0.041 0.000 1.388 465 W HN -0.059 nan 8.180 nan 0.000 0.485 466 I N 0.902 121.606 120.570 0.223 0.000 2.208 466 I HA -0.324 3.846 4.170 -0.000 0.000 0.245 466 I C 2.031 178.199 176.117 0.085 0.000 1.097 466 I CA 1.849 63.215 61.300 0.111 0.000 1.363 466 I CB -0.249 37.812 38.000 0.101 0.000 1.051 466 I HN 0.581 nan 8.210 nan 0.000 0.413 467 D N 0.461 120.906 120.400 0.075 0.000 2.108 467 D HA -0.254 4.386 4.640 -0.000 0.000 0.190 467 D C 2.324 178.593 176.300 -0.051 0.000 0.995 467 D CA 2.077 56.044 54.000 -0.054 0.000 0.834 467 D CB -0.068 40.460 40.800 -0.454 0.000 0.967 467 D HN 0.093 nan 8.370 nan 0.000 0.446 468 S N -1.664 113.978 115.700 -0.097 0.000 2.383 468 S HA -0.173 4.297 4.470 -0.000 0.000 0.229 468 S C 1.989 176.584 174.600 -0.009 0.000 1.030 468 S CA 1.942 60.115 58.200 -0.046 0.000 1.002 468 S CB -0.644 62.548 63.200 -0.012 0.000 0.829 468 S HN 0.366 nan 8.310 nan 0.000 0.467 469 T N 2.300 116.866 114.554 0.020 0.000 2.708 469 T HA 0.006 4.356 4.350 -0.000 0.000 0.266 469 T C 1.696 176.389 174.700 -0.012 0.000 1.037 469 T CA 1.531 63.638 62.100 0.013 0.000 1.146 469 T CB -0.361 68.520 68.868 0.020 0.000 0.865 469 T HN 0.401 nan 8.240 nan 0.000 0.435 470 I N 0.682 121.248 120.570 -0.008 0.000 2.264 470 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 470 I C 2.764 178.862 176.117 -0.031 0.000 1.111 470 I CA 1.152 62.442 61.300 -0.016 0.000 1.382 470 I CB -0.329 37.685 38.000 0.023 0.000 1.060 470 I HN 0.127 nan 8.210 nan 0.000 0.418 471 K N 0.995 121.359 120.400 -0.060 0.000 2.103 471 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 471 K C 2.332 178.740 176.600 -0.320 0.000 1.048 471 K CA 2.042 58.200 56.287 -0.214 0.000 0.930 471 K CB -0.153 32.239 32.500 -0.180 0.000 0.716 471 K HN 0.434 nan 8.250 nan 0.000 0.444 472 S N -0.773 114.827 115.700 -0.166 0.000 2.402 472 S HA -0.074 4.396 4.470 -0.000 0.000 0.229 472 S C 2.151 176.707 174.600 -0.073 0.000 1.021 472 S CA 1.182 59.311 58.200 -0.118 0.000 0.974 472 S CB -0.477 62.694 63.200 -0.048 0.000 0.800 472 S HN 0.362 nan 8.310 nan 0.000 0.484 473 G N 1.735 110.504 108.800 -0.052 0.000 2.403 473 G HA2 0.067 4.027 3.960 -0.000 0.000 0.216 473 G HA3 0.067 4.027 3.960 -0.000 0.000 0.216 473 G C 1.452 176.354 174.900 0.004 0.000 1.154 473 G CA 0.695 45.788 45.100 -0.012 0.000 0.784 473 G HN 0.508 nan 8.290 nan 0.000 0.538 474 L N -0.309 120.908 121.223 -0.011 0.000 2.109 474 L HA 0.049 4.389 4.340 -0.000 0.000 0.207 474 L C 2.899 179.850 176.870 0.134 0.000 1.086 474 L CA 0.818 55.712 54.840 0.090 0.000 0.760 474 L CB -0.397 41.757 42.059 0.158 0.000 0.910 474 L HN 0.154 nan 8.230 nan 0.000 0.437 475 R N 0.733 121.184 120.500 -0.081 0.000 2.070 475 R HA -0.190 4.150 4.340 -0.000 0.000 0.233 475 R C 2.319 178.693 176.300 0.123 0.000 1.137 475 R CA 1.712 57.859 56.100 0.079 0.000 0.945 475 R CB -0.271 29.957 30.300 -0.120 0.000 0.845 475 R HN 0.323 nan 8.270 nan 0.000 0.430 476 A N 0.690 123.545 122.820 0.058 0.000 1.933 476 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 476 A C 2.340 179.875 177.584 -0.081 0.000 1.175 476 A CA 1.686 53.753 52.037 0.049 0.000 0.628 476 A CB -0.659 18.390 19.000 0.082 0.000 0.814 476 A HN 0.559 nan 8.150 nan 0.000 0.444 477 A N -0.388 122.411 122.820 -0.035 0.000 1.933 477 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 477 A C 2.226 179.763 177.584 -0.078 0.000 1.175 477 A CA 1.699 53.694 52.037 -0.069 0.000 0.628 477 A CB -0.461 18.548 19.000 0.016 0.000 0.814 477 A HN 0.567 nan 8.150 nan 0.000 0.444 478 R N -0.165 120.346 120.500 0.020 0.000 2.066 478 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 478 R C 1.420 177.676 176.300 -0.073 0.000 1.131 478 R CA 1.729 57.843 56.100 0.024 0.000 0.955 478 R CB -0.324 30.060 30.300 0.140 0.000 0.851 478 R HN 0.484 nan 8.270 nan 0.000 0.432 479 D N -0.047 120.292 120.400 -0.103 0.000 2.149 479 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 479 D C 1.919 177.949 176.300 -0.449 0.000 0.990 479 D CA 1.261 55.155 54.000 -0.177 0.000 0.839 479 D CB -0.094 40.671 40.800 -0.059 0.000 0.948 479 D HN 0.148 nan 8.370 nan 0.000 0.460 480 V N 1.312 120.814 119.914 -0.688 0.000 2.358 480 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 480 V C 2.214 177.973 176.094 -0.558 0.000 1.047 480 V CA 1.409 63.179 62.300 -0.883 0.000 1.035 480 V CB -0.556 30.765 31.823 -0.835 0.000 0.658 480 V HN 0.099 nan 8.190 nan 0.000 0.452 481 N N 0.305 118.819 118.700 -0.309 0.000 2.120 481 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 481 N C 1.978 177.455 175.510 -0.054 0.000 1.024 481 N CA 1.533 54.542 53.050 -0.069 0.000 0.852 481 N CB -0.157 38.348 38.487 0.030 0.000 1.003 481 N HN 0.386 nan 8.380 nan 0.000 0.424 482 R N -0.292 120.149 120.500 -0.098 0.000 2.075 482 R HA 0.058 4.398 4.340 -0.000 0.000 0.232 482 R C 2.140 178.407 176.300 -0.055 0.000 1.126 482 R CA 1.208 57.275 56.100 -0.055 0.000 0.963 482 R CB -0.391 29.884 30.300 -0.041 0.000 0.858 482 R HN 0.210 nan 8.270 nan 0.000 0.435 483 A N 1.044 123.782 122.820 -0.136 0.000 2.024 483 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 483 A C 2.091 179.681 177.584 0.009 0.000 1.164 483 A CA 1.909 53.896 52.037 -0.085 0.000 0.643 483 A CB -0.445 18.409 19.000 -0.244 0.000 0.806 483 A HN 0.450 nan 8.150 nan 0.000 0.451 484 S N -1.199 114.491 115.700 -0.017 0.000 2.527 484 S HA 0.027 4.497 4.470 -0.000 0.000 0.222 484 S C 1.284 175.943 174.600 0.098 0.000 0.985 484 S CA 0.770 59.042 58.200 0.120 0.000 0.921 484 S CB 0.025 63.345 63.200 0.201 0.000 0.772 484 S HN 0.490 nan 8.310 nan 0.000 0.529 485 E N 1.603 121.837 120.200 0.056 0.000 2.340 485 E HA 0.083 4.433 4.350 -0.000 0.000 0.194 485 E C 1.094 177.719 176.600 0.042 0.000 0.996 485 E CA 0.268 56.694 56.400 0.043 0.000 0.869 485 E CB 0.003 29.717 29.700 0.024 0.000 0.835 485 E HN 0.938 nan 8.360 nan 0.000 0.493 486 Q N 0.000 119.829 119.800 0.049 0.000 2.315 486 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 486 Q CA 0.000 55.833 55.803 0.050 0.000 1.022 486 Q CB 0.000 28.769 28.738 0.052 0.000 1.108 486 Q HN 0.000 nan 8.270 nan 0.000 0.481