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 3iyl_1_R DATA FIRST_RESID 43 DATA SEQUENCE PTGKLWRPVG TSVATIDSLA IVSDRFGQYS FVNEGMRETF SKALFDINMW DATA SEQUENCE QPLFQATKTG CGPIVLSSFT TTTSGYVGAT AGDALDNPVT NGVFISTVQI DATA SEQUENCE MNLQRTIAAR MRDVALWQKH LDTAMTMLTP DISAGSASCN WKSLLAFAKD DATA SEQUENCE ILPLDNLCLT YPNEFYNVAI HRYPALKPGN PDTKLPDAQA HPLGEVAGAF DATA SEQUENCE NAATSEVGSL VGSSSTLSQA ISTMAGKDLD LIEADTPLPV SVFTPSLAPR DATA SEQUENCE SYRPAFIKPE DAKWIAEFNN SSLIRKTLTY SGATYTVQLG PGPTRVIDMN DATA SEQUENCE AMIDSVLTLD VSGTILPYDT NPDLSTSVPA FVLIQTSVPI QQVTTAANIT DATA SEQUENCE AITVVSAAGA SAINLAINVR GQPRFNMLHL QATFERETIT GIPYIYGLGT DATA SEQUENCE FLIPSPTSSS NFSNPTLMDG LLTVTPVLLR ETTYKGEVVD AIVPATVMAN DATA SEQUENCE QTSEEVASAL ANDAIVLVSN HLNKLANVVG DAIPVASRTD DSATSAIVSR DATA SEQUENCE LAVQHKLSQV GQASPTPPDY PLLWRRAKRA ASMFVSNPSL ALQVGIPVLT DATA SEQUENCE QSGMLSALTS GVGTALRTGS LGKGVTDASE KLRARQSLTV AKQAFFDQIG DATA SEQUENCE SLWP 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 43 P HA 0.000 nan 4.420 nan 0.000 0.216 43 P C 0.000 177.467 177.300 0.278 0.000 1.155 43 P CA 0.000 63.137 63.100 0.061 0.000 0.800 43 P CB 0.000 31.554 31.700 -0.244 0.000 0.726 44 T N -1.600 113.112 114.554 0.264 0.000 2.700 44 T HA 0.673 5.023 4.350 -0.000 0.000 0.307 44 T C -0.358 174.524 174.700 0.303 0.000 1.580 44 T CA 0.343 62.636 62.100 0.322 0.000 0.992 44 T CB 1.455 70.429 68.868 0.178 0.000 1.577 44 T HN 1.311 nan 8.240 nan 0.000 0.496 45 G N 1.324 110.301 108.800 0.295 0.000 2.725 45 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.220 45 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.220 45 G C -1.036 174.113 174.900 0.414 0.000 1.357 45 G CA -0.657 44.634 45.100 0.318 0.000 0.866 45 G HN 0.818 nan 8.290 nan 0.000 0.548 46 K N -0.283 120.366 120.400 0.415 0.000 2.202 46 K HA 0.502 4.822 4.320 -0.000 0.000 0.264 46 K C 0.517 177.430 176.600 0.521 0.000 1.010 46 K CA -0.382 56.118 56.287 0.355 0.000 0.940 46 K CB 1.571 34.121 32.500 0.084 0.000 0.983 46 K HN 0.915 nan 8.250 nan 0.000 0.475 47 L N 0.621 122.097 121.223 0.422 0.000 2.350 47 L HA 0.448 4.788 4.340 -0.000 0.000 0.275 47 L C -1.361 175.702 176.870 0.321 0.000 1.099 47 L CA -0.229 54.867 54.840 0.427 0.000 0.808 47 L CB 0.431 42.433 42.059 -0.094 0.000 1.149 47 L HN 0.460 nan 8.230 nan 0.000 0.442 48 W N 3.588 124.932 121.300 0.073 0.000 2.736 48 W HA 0.784 5.444 4.660 -0.000 0.000 0.355 48 W C -0.347 176.214 176.519 0.069 0.000 1.102 48 W CA -0.876 56.516 57.345 0.078 0.000 1.164 48 W CB 0.994 30.517 29.460 0.105 0.000 1.422 48 W HN 0.438 nan 8.180 nan 0.000 0.572 49 R N 0.500 121.176 120.500 0.294 0.000 2.668 49 R HA 0.331 4.671 4.340 -0.000 0.000 0.272 49 R C -2.700 173.717 176.300 0.196 0.000 1.019 49 R CA -2.083 54.134 56.100 0.196 0.000 0.894 49 R CB 2.256 32.591 30.300 0.059 0.000 1.228 49 R HN 0.016 nan 8.270 nan 0.000 0.460 50 P HA -0.043 nan 4.420 nan 0.000 0.257 50 P C 0.746 178.102 177.300 0.093 0.000 1.227 50 P CA 0.257 63.443 63.100 0.143 0.000 0.981 50 P CB 0.364 32.150 31.700 0.143 0.000 1.044 51 V N 3.734 123.701 119.914 0.088 0.000 2.490 51 V HA -0.154 3.966 4.120 -0.000 0.000 0.250 51 V C 2.252 178.374 176.094 0.046 0.000 1.061 51 V CA 2.682 65.017 62.300 0.060 0.000 1.064 51 V CB -1.080 30.778 31.823 0.058 0.000 0.670 51 V HN 0.636 nan 8.190 nan 0.000 0.461 52 G N -1.498 107.331 108.800 0.047 0.000 2.920 52 G HA2 0.133 4.093 3.960 -0.000 0.000 0.208 52 G HA3 0.133 4.093 3.960 -0.000 0.000 0.208 52 G C 0.460 175.380 174.900 0.033 0.000 1.159 52 G CA 0.888 46.010 45.100 0.035 0.000 0.784 52 G HN 0.517 nan 8.290 nan 0.000 0.535 53 T N -0.954 113.625 114.554 0.041 0.000 0.541 53 T HA -0.176 4.174 4.350 -0.000 0.000 0.774 53 T C 1.215 175.939 174.700 0.041 0.000 0.992 53 T CA 0.372 62.495 62.100 0.038 0.000 4.077 53 T CB -1.153 67.731 68.868 0.025 0.000 2.303 53 T HN 0.943 nan 8.240 nan 0.000 0.398 54 S N -1.431 114.295 115.700 0.042 0.000 4.158 54 S HA -0.296 4.174 4.470 -0.000 0.000 0.538 54 S C 1.197 175.833 174.600 0.060 0.000 1.845 54 S CA 1.441 59.668 58.200 0.044 0.000 4.227 54 S CB -1.183 62.034 63.200 0.029 0.000 0.452 54 S HN 2.212 nan 8.310 nan 0.000 0.455 55 V N 3.660 123.599 119.914 0.042 0.000 2.452 55 V HA 0.395 4.515 4.120 -0.000 0.000 0.286 55 V C 0.343 176.459 176.094 0.037 0.000 0.995 55 V CA 0.524 62.844 62.300 0.034 0.000 1.116 55 V CB -0.178 31.654 31.823 0.015 0.000 0.954 55 V HN 0.971 nan 8.190 nan 0.000 0.473 56 A N 5.956 128.799 122.820 0.037 0.000 2.366 56 A HA 0.689 5.009 4.320 -0.000 0.000 0.322 56 A C 0.416 177.932 177.584 -0.112 0.000 1.397 56 A CA -0.323 51.709 52.037 -0.008 0.000 0.984 56 A CB 0.318 19.345 19.000 0.046 0.000 1.149 56 A HN 0.889 nan 8.150 nan 0.000 0.540 57 T N 1.515 116.022 114.554 -0.079 0.000 2.889 57 T HA 0.405 4.755 4.350 -0.000 0.000 0.278 57 T C 0.813 175.446 174.700 -0.111 0.000 0.995 57 T CA -0.465 61.578 62.100 -0.094 0.000 0.966 57 T CB 0.656 69.494 68.868 -0.050 0.000 1.237 57 T HN 0.411 nan 8.240 nan 0.000 0.591 58 I N 2.274 122.783 120.570 -0.101 0.000 3.309 58 I HA 0.109 4.279 4.170 -0.000 0.000 0.287 58 I C 0.179 176.268 176.117 -0.048 0.000 1.221 58 I CA 0.389 61.630 61.300 -0.099 0.000 1.575 58 I CB -0.917 37.026 38.000 -0.095 0.000 1.254 58 I HN 0.679 nan 8.210 nan 0.000 0.600 59 D N -1.912 118.475 120.400 -0.021 0.000 1.999 59 D HA -0.155 4.485 4.640 -0.000 0.000 0.758 59 D C 1.197 177.520 176.300 0.039 0.000 0.564 59 D CA 0.466 54.477 54.000 0.018 0.000 1.286 59 D CB -0.623 40.182 40.800 0.008 0.000 1.248 59 D HN 0.142 nan 8.370 nan 0.000 0.365 60 S N 0.585 116.301 115.700 0.026 0.000 2.710 60 S HA 0.344 4.814 4.470 -0.000 0.000 0.224 60 S C 0.565 175.213 174.600 0.080 0.000 0.948 60 S CA -0.552 57.674 58.200 0.044 0.000 0.949 60 S CB -0.492 62.725 63.200 0.028 0.000 0.778 60 S HN 0.280 nan 8.310 nan 0.000 0.498 61 L N 0.805 122.093 121.223 0.109 0.000 2.397 61 L HA 0.888 5.228 4.340 -0.000 0.000 0.266 61 L C 0.060 177.086 176.870 0.262 0.000 1.040 61 L CA -0.791 54.172 54.840 0.205 0.000 0.800 61 L CB 1.511 43.698 42.059 0.213 0.000 1.324 61 L HN 0.320 nan 8.230 nan 0.000 0.469 62 A N 0.848 123.883 122.820 0.358 0.000 2.590 62 A HA 0.324 4.644 4.320 -0.000 0.000 0.309 62 A C -0.903 176.687 177.584 0.010 0.000 1.039 62 A CA -0.728 51.432 52.037 0.205 0.000 0.824 62 A CB 0.482 19.536 19.000 0.089 0.000 1.247 62 A HN 0.431 nan 8.150 nan 0.000 0.394 63 I N 2.688 122.987 120.570 -0.453 0.000 2.943 63 I HA -0.068 4.102 4.170 -0.000 0.000 0.296 63 I C 0.796 176.760 176.117 -0.255 0.000 1.220 63 I CA 0.531 61.403 61.300 -0.714 0.000 1.409 63 I CB 0.160 37.683 38.000 -0.795 0.000 1.374 63 I HN 0.381 nan 8.210 nan 0.000 0.545 64 V N 6.813 126.648 119.914 -0.131 0.000 2.220 64 V HA -0.045 4.075 4.120 -0.000 0.000 0.236 64 V C 1.080 177.203 176.094 0.048 0.000 1.314 64 V CA 0.332 62.623 62.300 -0.014 0.000 1.349 64 V CB -0.491 31.329 31.823 -0.006 0.000 1.428 64 V HN 0.839 nan 8.190 nan 0.000 0.495 65 S N 2.937 118.639 115.700 0.003 0.000 2.707 65 S HA 0.642 5.112 4.470 -0.000 0.000 0.276 65 S C -0.369 174.277 174.600 0.077 0.000 1.179 65 S CA -0.173 58.042 58.200 0.024 0.000 0.992 65 S CB 1.267 64.443 63.200 -0.040 0.000 1.030 65 S HN 0.992 nan 8.310 nan 0.000 0.554 66 D N -0.165 120.278 120.400 0.073 0.000 3.038 66 D HA 0.006 4.646 4.640 -0.000 0.000 0.351 66 D C 0.427 176.743 176.300 0.026 0.000 1.442 66 D CA -0.510 53.535 54.000 0.075 0.000 0.802 66 D CB -0.248 40.651 40.800 0.166 0.000 1.406 66 D HN 0.610 nan 8.370 nan 0.000 0.488 67 R N -0.324 120.155 120.500 -0.035 0.000 2.276 67 R HA -0.061 4.279 4.340 -0.000 0.000 0.243 67 R C 0.888 177.018 176.300 -0.283 0.000 1.161 67 R CA 1.638 57.626 56.100 -0.187 0.000 1.007 67 R CB -0.656 29.464 30.300 -0.301 0.000 0.867 67 R HN 0.205 nan 8.270 nan 0.000 0.472 68 F N 0.090 120.036 119.950 -0.006 0.000 2.704 68 F HA 0.397 4.924 4.527 -0.000 0.000 0.304 68 F C 1.453 177.158 175.800 -0.159 0.000 1.094 68 F CA 0.657 58.621 58.000 -0.061 0.000 1.275 68 F CB 1.172 40.150 39.000 -0.037 0.000 1.073 68 F HN 0.414 nan 8.300 nan 0.000 0.586 69 G N 0.322 109.123 108.800 0.002 0.000 2.428 69 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.202 69 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.202 69 G C -0.889 173.906 174.900 -0.175 0.000 1.247 69 G CA -1.035 44.017 45.100 -0.080 0.000 1.020 69 G HN 0.045 nan 8.290 nan 0.000 0.529 70 Q N -0.281 119.405 119.800 -0.191 0.000 2.307 70 Q HA 0.547 4.887 4.340 -0.000 0.000 0.262 70 Q C -1.109 174.749 176.000 -0.237 0.000 0.961 70 Q CA -0.578 55.118 55.803 -0.178 0.000 0.882 70 Q CB 1.650 30.329 28.738 -0.099 0.000 1.264 70 Q HN 0.478 nan 8.270 nan 0.000 0.446 71 Y N 1.337 121.660 120.300 0.037 0.000 2.605 71 Y HA 0.034 4.584 4.550 -0.000 0.000 0.336 71 Y C 0.780 176.826 175.900 0.245 0.000 1.111 71 Y CA -0.062 58.105 58.100 0.113 0.000 1.422 71 Y CB 0.463 38.908 38.460 -0.024 0.000 1.193 71 Y HN 0.413 nan 8.280 nan 0.000 0.526 72 S N 4.440 120.361 115.700 0.368 0.000 2.475 72 S HA 0.471 4.941 4.470 -0.000 0.000 0.298 72 S C -0.701 174.216 174.600 0.529 0.000 1.119 72 S CA -0.947 57.495 58.200 0.404 0.000 1.085 72 S CB 0.777 64.111 63.200 0.223 0.000 1.028 72 S HN 0.448 nan 8.310 nan 0.000 0.489 73 F N 3.252 123.403 119.950 0.334 0.000 2.563 73 F HA 0.372 4.899 4.527 -0.000 0.000 0.363 73 F C -0.080 175.654 175.800 -0.109 0.000 1.123 73 F CA -0.687 57.233 58.000 -0.132 0.000 1.307 73 F CB 0.623 39.530 39.000 -0.155 0.000 1.115 73 F HN 0.434 nan 8.300 nan 0.000 0.592 74 V N 6.871 126.169 119.914 -1.026 0.000 2.204 74 V HA 0.103 4.223 4.120 -0.000 0.000 0.264 74 V C -0.392 174.983 176.094 -1.199 0.000 1.106 74 V CA -0.884 60.945 62.300 -0.786 0.000 0.947 74 V CB -0.526 31.076 31.823 -0.368 0.000 1.164 74 V HN 0.829 nan 8.190 nan 0.000 0.461 75 N N 1.922 119.928 118.700 -1.157 0.000 2.329 75 N HA -0.083 4.657 4.740 -0.000 0.000 0.237 75 N C 1.142 176.408 175.510 -0.407 0.000 1.258 75 N CA -0.065 52.562 53.050 -0.706 0.000 0.866 75 N CB 0.730 39.079 38.487 -0.230 0.000 1.102 75 N HN 0.323 nan 8.380 nan 0.000 0.440 76 E N 1.317 121.378 120.200 -0.231 0.000 2.113 76 E HA -0.233 4.117 4.350 -0.000 0.000 0.210 76 E C 1.841 178.340 176.600 -0.169 0.000 1.040 76 E CA 2.119 58.424 56.400 -0.159 0.000 0.847 76 E CB -1.012 28.638 29.700 -0.082 0.000 0.755 76 E HN 0.861 nan 8.360 nan 0.000 0.459 77 G N 0.587 109.292 108.800 -0.158 0.000 2.422 77 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 77 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 77 G C 1.575 176.336 174.900 -0.231 0.000 1.140 77 G CA 0.823 45.827 45.100 -0.160 0.000 0.775 77 G HN 0.295 nan 8.290 nan 0.000 0.545 78 M N 0.825 120.249 119.600 -0.294 0.000 2.549 78 M HA 0.067 4.547 4.480 -0.000 0.000 0.260 78 M C 2.354 178.306 176.300 -0.580 0.000 1.076 78 M CA 0.906 55.932 55.300 -0.457 0.000 1.090 78 M CB -0.121 32.228 32.600 -0.418 0.000 1.418 78 M HN 0.362 nan 8.290 nan 0.000 0.486 79 R N -0.441 119.849 120.500 -0.350 0.000 2.210 79 R HA -0.076 4.264 4.340 -0.000 0.000 0.203 79 R C 1.359 177.560 176.300 -0.165 0.000 1.010 79 R CA 0.938 56.901 56.100 -0.227 0.000 1.008 79 R CB -0.009 30.205 30.300 -0.143 0.000 0.923 79 R HN 0.180 nan 8.270 nan 0.000 0.469 80 E N 0.457 120.548 120.200 -0.183 0.000 2.110 80 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 80 E C 1.541 178.078 176.600 -0.105 0.000 0.988 80 E CA 2.047 58.373 56.400 -0.124 0.000 0.804 80 E CB -0.143 29.483 29.700 -0.123 0.000 0.745 80 E HN 0.336 nan 8.360 nan 0.000 0.458 81 T N -0.045 114.392 114.554 -0.195 0.000 2.639 81 T HA -0.084 4.266 4.350 -0.000 0.000 0.261 81 T C 1.704 176.444 174.700 0.066 0.000 1.053 81 T CA 1.280 63.306 62.100 -0.124 0.000 1.158 81 T CB -0.682 68.028 68.868 -0.264 0.000 0.863 81 T HN 0.205 nan 8.240 nan 0.000 0.413 82 F N 1.188 121.132 119.950 -0.010 0.000 2.307 82 F HA -0.106 4.421 4.527 -0.000 0.000 0.301 82 F C 2.910 178.734 175.800 0.039 0.000 1.076 82 F CA 0.190 58.190 58.000 0.001 0.000 1.383 82 F CB -0.243 38.745 39.000 -0.020 0.000 1.055 82 F HN 0.188 nan 8.300 nan 0.000 0.526 83 S N 0.014 115.830 115.700 0.193 0.000 2.388 83 S HA -0.095 4.375 4.470 -0.000 0.000 0.223 83 S C 1.985 176.698 174.600 0.187 0.000 1.034 83 S CA 0.608 58.903 58.200 0.159 0.000 0.963 83 S CB -0.055 63.189 63.200 0.073 0.000 0.827 83 S HN 0.240 nan 8.310 nan 0.000 0.481 84 K N 0.542 121.025 120.400 0.139 0.000 2.211 84 K HA 0.039 4.359 4.320 -0.000 0.000 0.203 84 K C 2.002 178.743 176.600 0.235 0.000 1.050 84 K CA 0.954 57.343 56.287 0.169 0.000 0.945 84 K CB -0.209 32.342 32.500 0.083 0.000 0.732 84 K HN 0.374 nan 8.250 nan 0.000 0.451 85 A N 0.851 123.796 122.820 0.208 0.000 1.874 85 A HA -0.049 4.271 4.320 -0.000 0.000 0.214 85 A C 1.977 179.672 177.584 0.184 0.000 1.189 85 A CA 0.828 52.976 52.037 0.185 0.000 0.615 85 A CB -0.436 18.670 19.000 0.176 0.000 0.830 85 A HN 0.202 nan 8.150 nan 0.000 0.443 86 L N -1.766 119.574 121.223 0.195 0.000 2.093 86 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 86 L C 2.471 179.460 176.870 0.198 0.000 1.085 86 L CA 1.350 56.298 54.840 0.180 0.000 0.755 86 L CB -0.561 41.610 42.059 0.186 0.000 0.904 86 L HN 0.501 nan 8.230 nan 0.000 0.435 87 F N 1.666 121.678 119.950 0.104 0.000 2.126 87 F HA -0.282 4.245 4.527 -0.000 0.000 0.299 87 F C 2.095 177.961 175.800 0.110 0.000 1.096 87 F CA 2.041 60.093 58.000 0.086 0.000 1.255 87 F CB -0.284 38.749 39.000 0.054 0.000 0.997 87 F HN 0.121 nan 8.300 nan 0.000 0.479 88 D N -0.217 120.210 120.400 0.045 0.000 2.350 88 D HA -0.116 4.524 4.640 -0.000 0.000 0.216 88 D C 1.985 178.371 176.300 0.144 0.000 0.968 88 D CA 1.166 55.174 54.000 0.014 0.000 0.894 88 D CB -0.164 40.735 40.800 0.164 0.000 0.909 88 D HN 0.457 nan 8.370 nan 0.000 0.520 89 I N -0.386 120.286 120.570 0.171 0.000 2.729 89 I HA -0.075 4.095 4.170 -0.000 0.000 0.256 89 I C 1.937 178.254 176.117 0.333 0.000 1.115 89 I CA 0.018 61.517 61.300 0.332 0.000 1.446 89 I CB -0.250 37.899 38.000 0.249 0.000 1.176 89 I HN -0.058 nan 8.210 nan 0.000 0.446 90 N N 1.375 120.158 118.700 0.138 0.000 2.137 90 N HA -0.257 4.483 4.740 -0.000 0.000 0.190 90 N C 1.884 177.431 175.510 0.062 0.000 1.017 90 N CA 1.539 54.650 53.050 0.101 0.000 0.859 90 N CB -0.386 38.114 38.487 0.022 0.000 1.002 90 N HN 0.355 nan 8.380 nan 0.000 0.428 91 M N -0.465 119.060 119.600 -0.125 0.000 2.116 91 M HA -0.199 4.281 4.480 -0.000 0.000 0.255 91 M C 0.643 176.867 176.300 -0.127 0.000 1.075 91 M CA 1.723 56.892 55.300 -0.218 0.000 1.087 91 M CB -0.237 32.110 32.600 -0.422 0.000 1.340 91 M HN 0.180 nan 8.290 nan 0.000 0.402 92 W N 0.420 121.758 121.300 0.063 0.000 3.468 92 W HA 0.011 4.671 4.660 -0.000 0.000 0.327 92 W C 1.883 178.418 176.519 0.028 0.000 1.259 92 W CA -0.361 56.987 57.345 0.004 0.000 1.706 92 W CB -0.407 29.058 29.460 0.009 0.000 1.007 92 W HN 0.363 nan 8.180 nan 0.000 0.764 93 Q N 2.211 122.163 119.800 0.253 0.000 2.061 93 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 93 Q C -0.150 175.911 176.000 0.100 0.000 0.984 93 Q CA 1.996 57.951 55.803 0.253 0.000 0.846 93 Q CB -1.465 27.358 28.738 0.142 0.000 0.902 93 Q HN 0.094 nan 8.270 nan 0.000 0.421 94 P HA -0.146 nan 4.420 nan 0.000 0.221 94 P C 0.907 178.051 177.300 -0.262 0.000 1.145 94 P CA 0.875 63.910 63.100 -0.109 0.000 0.795 94 P CB 0.125 31.750 31.700 -0.124 0.000 0.775 95 L N -2.406 118.573 121.223 -0.405 0.000 2.477 95 L HA 0.235 4.575 4.340 -0.000 0.000 0.220 95 L C 2.115 178.396 176.870 -0.982 0.000 1.106 95 L CA 0.776 55.086 54.840 -0.884 0.000 0.851 95 L CB -1.276 40.057 42.059 -1.210 0.000 0.994 95 L HN -0.235 nan 8.230 nan 0.000 0.462 96 F N -0.160 119.544 119.950 -0.410 0.000 2.163 96 F HA -0.126 4.401 4.527 -0.000 0.000 0.297 96 F C 2.478 178.187 175.800 -0.153 0.000 1.094 96 F CA 1.191 59.078 58.000 -0.188 0.000 1.290 96 F CB -0.420 38.604 39.000 0.040 0.000 1.017 96 F HN 0.178 nan 8.300 nan 0.000 0.483 97 Q N -0.092 119.733 119.800 0.042 0.000 2.016 97 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 97 Q C 2.537 178.502 176.000 -0.058 0.000 0.978 97 Q CA 1.366 57.176 55.803 0.012 0.000 0.833 97 Q CB -0.663 28.082 28.738 0.012 0.000 0.895 97 Q HN 0.361 nan 8.270 nan 0.000 0.427 98 A N 1.477 124.199 122.820 -0.163 0.000 1.903 98 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 98 A C 2.217 179.708 177.584 -0.156 0.000 1.191 98 A CA 2.184 54.119 52.037 -0.170 0.000 0.638 98 A CB -1.178 17.605 19.000 -0.362 0.000 0.823 98 A HN 0.526 nan 8.150 nan 0.000 0.451 99 T N -4.558 109.799 114.554 -0.328 0.000 3.312 99 T HA 0.280 4.630 4.350 -0.000 0.000 0.251 99 T C 0.534 175.244 174.700 0.015 0.000 1.012 99 T CA 0.362 62.367 62.100 -0.158 0.000 0.925 99 T CB 0.059 68.764 68.868 -0.271 0.000 1.049 99 T HN 0.339 nan 8.240 nan 0.000 0.583 100 K N 0.139 120.559 120.400 0.034 0.000 3.184 100 K HA -0.190 4.130 4.320 -0.000 0.000 0.301 100 K C 0.769 177.440 176.600 0.118 0.000 1.170 100 K CA 1.323 57.654 56.287 0.073 0.000 0.897 100 K CB -2.364 30.175 32.500 0.064 0.000 1.218 100 K HN 0.690 nan 8.250 nan 0.000 0.441 101 T N -1.672 113.001 114.554 0.199 0.000 3.367 101 T HA 0.480 4.830 4.350 -0.000 0.000 0.330 101 T C 1.247 176.100 174.700 0.256 0.000 1.269 101 T CA 1.191 63.454 62.100 0.271 0.000 0.912 101 T CB 0.342 69.467 68.868 0.429 0.000 2.087 101 T HN 0.614 nan 8.240 nan 0.000 0.562 102 G N -0.200 108.743 108.800 0.238 0.000 2.582 102 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.288 102 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.288 102 G C 0.617 175.446 174.900 -0.117 0.000 1.247 102 G CA 0.931 45.905 45.100 -0.210 0.000 0.972 102 G HN 2.097 nan 8.290 nan 0.000 0.557 103 C N -2.905 116.305 119.300 -0.150 0.000 3.951 103 C HA 0.685 5.145 4.460 -0.000 0.000 0.395 103 C C 1.087 176.031 174.990 -0.078 0.000 2.815 103 C CA 0.382 59.353 59.018 -0.078 0.000 1.527 103 C CB -0.946 26.753 27.740 -0.069 0.000 2.094 103 C HN 3.161 nan 8.230 nan 0.000 0.423 104 G N 1.068 109.819 108.800 -0.082 0.000 2.612 104 G HA2 0.299 4.259 3.960 -0.000 0.000 0.686 104 G HA3 0.299 4.259 3.960 -0.000 0.000 0.686 104 G C -3.173 171.686 174.900 -0.069 0.000 1.274 104 G CA -0.407 44.663 45.100 -0.051 0.000 0.849 104 G HN 0.366 nan 8.290 nan 0.000 0.595 105 P HA 0.469 nan 4.420 nan 0.000 0.276 105 P C 0.124 177.419 177.300 -0.009 0.000 1.230 105 P CA -0.331 62.766 63.100 -0.005 0.000 0.776 105 P CB 0.526 32.241 31.700 0.024 0.000 0.888 106 I N 2.966 123.544 120.570 0.015 0.000 2.294 106 I HA 0.087 4.256 4.170 -0.000 0.000 0.295 106 I C -0.018 176.151 176.117 0.085 0.000 1.098 106 I CA -0.485 60.846 61.300 0.052 0.000 1.277 106 I CB 0.268 38.336 38.000 0.113 0.000 1.434 106 I HN 0.001 nan 8.210 nan 0.000 0.498 107 V N 7.049 126.981 119.914 0.030 0.000 2.498 107 V HA 0.010 4.130 4.120 -0.000 0.000 0.279 107 V C 1.025 177.168 176.094 0.082 0.000 1.048 107 V CA -0.522 61.806 62.300 0.046 0.000 0.967 107 V CB 1.648 33.470 31.823 -0.002 0.000 0.988 107 V HN 0.634 nan 8.190 nan 0.000 0.473 108 L N 5.221 126.537 121.223 0.155 0.000 2.353 108 L HA -0.065 4.275 4.340 -0.000 0.000 0.220 108 L C 2.263 179.235 176.870 0.169 0.000 1.133 108 L CA 1.935 56.924 54.840 0.248 0.000 0.798 108 L CB -0.498 41.695 42.059 0.223 0.000 0.922 108 L HN 0.874 nan 8.230 nan 0.000 0.445 109 S N -2.420 113.319 115.700 0.065 0.000 2.720 109 S HA -0.025 4.445 4.470 -0.000 0.000 0.222 109 S C 1.724 176.292 174.600 -0.054 0.000 0.958 109 S CA 0.463 58.677 58.200 0.023 0.000 0.943 109 S CB -0.735 62.472 63.200 0.011 0.000 0.779 109 S HN 0.607 nan 8.310 nan 0.000 0.526 110 S N -0.262 115.337 115.700 -0.169 0.000 2.511 110 S HA 0.319 4.789 4.470 -0.000 0.000 0.214 110 S C 0.759 175.073 174.600 -0.478 0.000 0.997 110 S CA -0.487 57.492 58.200 -0.369 0.000 0.908 110 S CB -0.503 62.361 63.200 -0.561 0.000 0.803 110 S HN 0.442 nan 8.310 nan 0.000 0.504 111 F N 2.966 122.909 119.950 -0.013 0.000 2.731 111 F HA 0.299 4.826 4.527 -0.000 0.000 0.298 111 F C 1.658 177.456 175.800 -0.004 0.000 1.106 111 F CA 0.159 58.144 58.000 -0.025 0.000 1.329 111 F CB -0.131 38.845 39.000 -0.039 0.000 1.100 111 F HN 0.275 nan 8.300 nan 0.000 0.592 112 T N -2.103 112.549 114.554 0.163 0.000 2.902 112 T HA 0.702 5.052 4.350 -0.000 0.000 0.287 112 T C 0.301 175.069 174.700 0.113 0.000 1.048 112 T CA 0.113 62.304 62.100 0.152 0.000 0.941 112 T CB 1.530 70.481 68.868 0.140 0.000 1.432 112 T HN 0.103 nan 8.240 nan 0.000 0.586 113 T N -3.617 111.031 114.554 0.157 0.000 2.711 113 T HA 0.527 4.877 4.350 -0.000 0.000 0.302 113 T C -0.946 173.852 174.700 0.163 0.000 1.373 113 T CA -0.807 61.364 62.100 0.119 0.000 1.000 113 T CB 1.263 70.194 68.868 0.104 0.000 1.483 113 T HN 0.557 nan 8.240 nan 0.000 0.499 114 T N 2.072 116.690 114.554 0.106 0.000 3.514 114 T HA 0.456 4.806 4.350 -0.000 0.000 0.259 114 T C 0.072 174.825 174.700 0.088 0.000 1.466 114 T CA -0.425 61.756 62.100 0.135 0.000 1.562 114 T CB -0.121 68.793 68.868 0.075 0.000 0.924 114 T HN 0.835 nan 8.240 nan 0.000 0.678 115 T N 1.834 116.442 114.554 0.090 0.000 2.771 115 T HA 0.651 5.001 4.350 -0.000 0.000 0.290 115 T C 0.284 174.972 174.700 -0.020 0.000 1.005 115 T CA -0.856 61.153 62.100 -0.152 0.000 0.944 115 T CB 0.817 69.348 68.868 -0.562 0.000 1.147 115 T HN 0.469 nan 8.240 nan 0.000 0.534 116 S N -1.584 114.018 115.700 -0.163 0.000 2.543 116 S HA 0.806 5.276 4.470 -0.000 0.000 0.273 116 S C -0.351 174.129 174.600 -0.199 0.000 1.152 116 S CA -0.532 57.620 58.200 -0.081 0.000 0.910 116 S CB 1.830 65.001 63.200 -0.050 0.000 1.105 116 S HN 1.336 nan 8.310 nan 0.000 0.465 117 G N 0.770 109.446 108.800 -0.206 0.000 2.392 117 G HA2 0.466 4.426 3.960 -0.000 0.000 0.260 117 G HA3 0.466 4.426 3.960 -0.000 0.000 0.260 117 G C -2.402 172.281 174.900 -0.362 0.000 1.226 117 G CA -0.702 44.206 45.100 -0.320 0.000 0.913 117 G HN 0.572 nan 8.290 nan 0.000 0.483 118 Y N -0.440 119.890 120.300 0.051 0.000 2.330 118 Y HA 0.593 5.143 4.550 -0.000 0.000 0.336 118 Y C 0.290 176.243 175.900 0.088 0.000 1.036 118 Y CA -0.692 57.420 58.100 0.021 0.000 1.125 118 Y CB 2.037 40.481 38.460 -0.027 0.000 1.194 118 Y HN 0.397 nan 8.280 nan 0.000 0.469 119 V N 4.466 124.490 119.914 0.183 0.000 2.349 119 V HA 0.938 5.058 4.120 -0.000 0.000 0.284 119 V C -0.271 175.882 176.094 0.099 0.000 1.014 119 V CA 0.168 62.609 62.300 0.235 0.000 0.826 119 V CB 0.435 32.391 31.823 0.222 0.000 1.009 119 V HN 0.885 nan 8.190 nan 0.000 0.431 120 G N 4.004 112.820 108.800 0.027 0.000 3.021 120 G HA2 0.683 4.643 3.960 -0.000 0.000 0.290 120 G HA3 0.683 4.643 3.960 -0.000 0.000 0.290 120 G C 0.329 175.322 174.900 0.156 0.000 1.291 120 G CA 0.042 45.113 45.100 -0.048 0.000 0.834 120 G HN 1.092 nan 8.290 nan 0.000 0.564 121 A N -1.362 121.498 122.820 0.066 0.000 2.115 121 A HA 0.561 4.881 4.320 -0.000 0.000 0.211 121 A C 1.153 178.911 177.584 0.290 0.000 1.169 121 A CA 1.877 54.053 52.037 0.231 0.000 0.787 121 A CB -0.124 18.955 19.000 0.131 0.000 0.858 121 A HN 1.763 nan 8.150 nan 0.000 0.474 122 T N -5.514 108.940 114.554 -0.166 0.000 2.982 122 T HA 0.545 4.895 4.350 -0.000 0.000 0.321 122 T C 0.876 175.019 174.700 -0.928 0.000 1.229 122 T CA 0.325 62.238 62.100 -0.311 0.000 1.044 122 T CB 1.153 70.010 68.868 -0.019 0.000 1.184 122 T HN 0.961 nan 8.240 nan 0.000 0.477 123 A N 2.892 125.091 122.820 -1.035 0.000 1.923 123 A HA -0.091 4.229 4.320 -0.000 0.000 0.222 123 A C 2.404 179.727 177.584 -0.434 0.000 1.258 123 A CA 3.244 54.899 52.037 -0.638 0.000 0.670 123 A CB -1.881 17.076 19.000 -0.072 0.000 0.834 123 A HN 1.634 nan 8.150 nan 0.000 0.470 124 G N 0.153 108.789 108.800 -0.272 0.000 2.491 124 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.218 124 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.218 124 G C 1.146 175.911 174.900 -0.225 0.000 1.180 124 G CA 1.774 46.755 45.100 -0.199 0.000 0.774 124 G HN 0.859 nan 8.290 nan 0.000 0.562 125 D N -0.045 120.209 120.400 -0.243 0.000 2.333 125 D HA 0.360 5.000 4.640 -0.000 0.000 0.208 125 D C 2.240 178.388 176.300 -0.254 0.000 0.984 125 D CA 0.948 54.827 54.000 -0.202 0.000 0.873 125 D CB -0.177 40.539 40.800 -0.138 0.000 0.935 125 D HN 0.300 nan 8.370 nan 0.000 0.521 126 A N 0.219 122.780 122.820 -0.430 0.000 2.119 126 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 126 A C 1.981 179.387 177.584 -0.296 0.000 1.153 126 A CA 0.439 52.207 52.037 -0.448 0.000 0.692 126 A CB -0.610 17.779 19.000 -1.019 0.000 0.799 126 A HN 0.328 nan 8.150 nan 0.000 0.458 127 L N 0.001 121.010 121.223 -0.357 0.000 2.275 127 L HA -0.050 4.290 4.340 -0.000 0.000 0.215 127 L C 0.055 176.746 176.870 -0.298 0.000 1.119 127 L CA 1.674 56.250 54.840 -0.441 0.000 0.790 127 L CB -0.546 41.287 42.059 -0.377 0.000 0.919 127 L HN 0.315 nan 8.230 nan 0.000 0.443 128 D N -0.723 119.577 120.400 -0.166 0.000 2.491 128 D HA 0.169 4.809 4.640 -0.000 0.000 0.228 128 D C 0.031 176.315 176.300 -0.026 0.000 1.183 128 D CA 0.179 54.128 54.000 -0.085 0.000 0.827 128 D CB -0.117 40.635 40.800 -0.080 0.000 0.989 128 D HN 0.217 nan 8.370 nan 0.000 0.494 129 N N 1.291 120.008 118.700 0.028 0.000 2.628 129 N HA 0.104 4.844 4.740 -0.000 0.000 0.299 129 N C -2.754 172.822 175.510 0.110 0.000 1.834 129 N CA -0.804 52.267 53.050 0.034 0.000 0.871 129 N CB 1.398 39.873 38.487 -0.019 0.000 1.377 129 N HN 0.059 nan 8.380 nan 0.000 0.493 130 P HA -0.012 nan 4.420 nan 0.000 0.260 130 P C -0.043 177.229 177.300 -0.047 0.000 1.207 130 P CA 0.291 63.465 63.100 0.124 0.000 0.780 130 P CB 0.980 32.824 31.700 0.239 0.000 0.789 131 V N 4.922 124.767 119.914 -0.114 0.000 2.459 131 V HA 0.386 4.506 4.120 -0.000 0.000 0.295 131 V C -0.298 175.758 176.094 -0.063 0.000 1.029 131 V CA -0.200 62.038 62.300 -0.104 0.000 0.874 131 V CB 1.999 33.698 31.823 -0.207 0.000 0.985 131 V HN 0.466 nan 8.190 nan 0.000 0.438 132 T N 6.051 120.584 114.554 -0.035 0.000 2.771 132 T HA 0.383 4.733 4.350 -0.000 0.000 0.281 132 T C 0.246 174.968 174.700 0.037 0.000 0.982 132 T CA -0.333 61.757 62.100 -0.016 0.000 0.978 132 T CB 0.474 69.325 68.868 -0.029 0.000 0.930 132 T HN 0.800 nan 8.240 nan 0.000 0.447 133 N N 1.702 120.441 118.700 0.065 0.000 2.725 133 N HA -0.130 4.610 4.740 -0.000 0.000 0.251 133 N C 0.593 176.199 175.510 0.161 0.000 1.031 133 N CA 0.964 54.075 53.050 0.102 0.000 0.720 133 N CB -0.787 37.732 38.487 0.053 0.000 0.930 133 N HN 0.913 nan 8.380 nan 0.000 0.543 134 G N -0.671 108.293 108.800 0.273 0.000 2.653 134 G HA2 0.406 4.366 3.960 -0.000 0.000 0.265 134 G HA3 0.406 4.366 3.960 -0.000 0.000 0.265 134 G C -0.006 175.038 174.900 0.240 0.000 1.237 134 G CA -0.196 45.037 45.100 0.221 0.000 0.946 134 G HN 0.270 nan 8.290 nan 0.000 0.522 135 V N 0.653 120.610 119.914 0.071 0.000 2.313 135 V HA 0.662 4.782 4.120 -0.000 0.000 0.278 135 V C -1.102 174.943 176.094 -0.081 0.000 1.017 135 V CA -0.933 61.405 62.300 0.062 0.000 0.823 135 V CB -0.438 31.387 31.823 0.004 0.000 1.010 135 V HN 0.430 nan 8.190 nan 0.000 0.443 136 F N 6.015 126.098 119.950 0.222 0.000 2.470 136 F HA 0.603 5.130 4.527 -0.000 0.000 0.329 136 F C 0.101 176.036 175.800 0.224 0.000 1.072 136 F CA -0.866 57.293 58.000 0.264 0.000 0.989 136 F CB 2.004 41.214 39.000 0.349 0.000 1.193 136 F HN 0.385 nan 8.300 nan 0.000 0.481 137 I N 2.104 122.895 120.570 0.368 0.000 2.389 137 I HA 0.360 4.530 4.170 -0.000 0.000 0.288 137 I C -0.150 176.047 176.117 0.133 0.000 0.999 137 I CA -0.438 61.000 61.300 0.229 0.000 1.129 137 I CB 1.012 39.106 38.000 0.157 0.000 1.288 137 I HN 0.717 nan 8.210 nan 0.000 0.444 138 S N 3.894 119.584 115.700 -0.016 0.000 2.584 138 S HA 0.124 4.594 4.470 -0.000 0.000 0.270 138 S C 1.094 175.582 174.600 -0.186 0.000 1.346 138 S CA -0.068 57.891 58.200 -0.403 0.000 1.018 138 S CB 1.282 64.101 63.200 -0.636 0.000 0.899 138 S HN 0.757 nan 8.310 nan 0.000 0.542 139 T N 1.636 116.075 114.554 -0.192 0.000 2.597 139 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 139 T C 1.836 176.512 174.700 -0.040 0.000 1.053 139 T CA 1.635 63.684 62.100 -0.084 0.000 1.165 139 T CB -0.716 68.109 68.868 -0.072 0.000 0.863 139 T HN 0.623 nan 8.240 nan 0.000 0.427 140 V N 1.220 121.136 119.914 0.004 0.000 2.660 140 V HA -0.197 3.923 4.120 -0.000 0.000 0.257 140 V C 2.374 178.498 176.094 0.051 0.000 1.088 140 V CA 1.747 64.082 62.300 0.058 0.000 1.106 140 V CB -0.475 31.448 31.823 0.167 0.000 0.686 140 V HN 0.400 nan 8.190 nan 0.000 0.481 141 Q N -0.305 119.510 119.800 0.026 0.000 2.089 141 Q HA 0.097 4.437 4.340 -0.000 0.000 0.195 141 Q C 2.106 178.078 176.000 -0.047 0.000 0.963 141 Q CA 1.727 57.565 55.803 0.058 0.000 0.834 141 Q CB -0.314 28.474 28.738 0.082 0.000 0.906 141 Q HN 0.680 nan 8.270 nan 0.000 0.452 142 I N 0.454 120.981 120.570 -0.072 0.000 2.800 142 I HA -0.261 3.909 4.170 -0.000 0.000 0.266 142 I C 1.871 177.887 176.117 -0.168 0.000 1.249 142 I CA 0.544 61.762 61.300 -0.136 0.000 1.458 142 I CB -0.094 37.867 38.000 -0.065 0.000 1.093 142 I HN 0.167 nan 8.210 nan 0.000 0.466 143 M N 0.000 119.532 119.600 -0.115 0.000 2.325 143 M HA -0.040 4.440 4.480 -0.000 0.000 0.265 143 M C 1.980 178.194 176.300 -0.143 0.000 1.094 143 M CA 1.506 56.744 55.300 -0.104 0.000 1.161 143 M CB -1.012 31.561 32.600 -0.045 0.000 1.358 143 M HN 0.190 nan 8.290 nan 0.000 0.446 144 N N 0.597 119.221 118.700 -0.127 0.000 2.109 144 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 144 N C 1.697 176.920 175.510 -0.478 0.000 1.034 144 N CA 0.881 53.853 53.050 -0.131 0.000 0.846 144 N CB -0.897 37.682 38.487 0.152 0.000 1.010 144 N HN 0.214 nan 8.380 nan 0.000 0.425 145 L N 1.493 122.089 121.223 -1.046 0.000 2.270 145 L HA -0.181 4.159 4.340 -0.000 0.000 0.217 145 L C 2.156 178.581 176.870 -0.742 0.000 1.107 145 L CA 1.698 55.644 54.840 -1.490 0.000 0.772 145 L CB -0.392 40.848 42.059 -1.365 0.000 0.902 145 L HN 0.178 nan 8.230 nan 0.000 0.439 146 Q N 0.060 119.559 119.800 -0.502 0.000 1.990 146 Q HA -0.128 4.212 4.340 -0.000 0.000 0.195 146 Q C 2.375 178.240 176.000 -0.225 0.000 0.977 146 Q CA 1.386 56.992 55.803 -0.328 0.000 0.828 146 Q CB -0.251 28.344 28.738 -0.239 0.000 0.896 146 Q HN 0.478 nan 8.270 nan 0.000 0.447 147 R N -0.096 120.302 120.500 -0.171 0.000 2.293 147 R HA -0.048 4.292 4.340 -0.000 0.000 0.219 147 R C 2.022 178.264 176.300 -0.096 0.000 1.091 147 R CA 1.154 57.188 56.100 -0.109 0.000 1.004 147 R CB 0.094 30.351 30.300 -0.072 0.000 0.865 147 R HN 0.299 nan 8.270 nan 0.000 0.469 148 T N 0.678 115.154 114.554 -0.130 0.000 2.781 148 T HA 0.044 4.394 4.350 -0.000 0.000 0.252 148 T C 1.713 176.365 174.700 -0.080 0.000 1.039 148 T CA 0.591 62.650 62.100 -0.069 0.000 1.147 148 T CB 0.037 68.900 68.868 -0.008 0.000 0.865 148 T HN 0.107 nan 8.240 nan 0.000 0.423 149 I N 1.399 121.889 120.570 -0.133 0.000 2.399 149 I HA -0.227 3.943 4.170 -0.000 0.000 0.254 149 I C 2.579 178.654 176.117 -0.070 0.000 1.146 149 I CA 0.902 62.146 61.300 -0.092 0.000 1.412 149 I CB -0.257 37.660 38.000 -0.137 0.000 1.076 149 I HN 0.221 nan 8.210 nan 0.000 0.432 150 A N 0.342 123.110 122.820 -0.087 0.000 1.855 150 A HA 0.007 4.327 4.320 -0.000 0.000 0.213 150 A C 2.541 180.087 177.584 -0.063 0.000 1.195 150 A CA 1.241 53.235 52.037 -0.071 0.000 0.610 150 A CB -0.785 18.171 19.000 -0.075 0.000 0.837 150 A HN 0.367 nan 8.150 nan 0.000 0.444 151 A N -0.134 122.651 122.820 -0.058 0.000 1.865 151 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 151 A C 2.219 179.772 177.584 -0.051 0.000 1.191 151 A CA 1.641 53.647 52.037 -0.052 0.000 0.623 151 A CB -0.515 18.463 19.000 -0.038 0.000 0.826 151 A HN 0.365 nan 8.150 nan 0.000 0.444 152 R N -1.605 118.877 120.500 -0.030 0.000 2.096 152 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 152 R C 1.994 178.292 176.300 -0.002 0.000 1.127 152 R CA 1.537 57.652 56.100 0.025 0.000 0.968 152 R CB -0.846 29.472 30.300 0.030 0.000 0.861 152 R HN 0.515 nan 8.270 nan 0.000 0.440 153 M N 0.624 120.203 119.600 -0.034 0.000 2.149 153 M HA -0.139 4.341 4.480 -0.000 0.000 0.261 153 M C 2.163 178.375 176.300 -0.148 0.000 1.064 153 M CA 1.480 56.741 55.300 -0.065 0.000 1.102 153 M CB -0.514 32.059 32.600 -0.044 0.000 1.369 153 M HN 0.025 nan 8.290 nan 0.000 0.408 154 R N -0.065 120.343 120.500 -0.153 0.000 2.075 154 R HA -0.168 4.172 4.340 -0.000 0.000 0.230 154 R C 1.671 177.748 176.300 -0.371 0.000 1.140 154 R CA 2.036 58.011 56.100 -0.208 0.000 0.928 154 R CB -0.523 29.682 30.300 -0.157 0.000 0.834 154 R HN 0.315 nan 8.270 nan 0.000 0.429 155 D N 0.259 120.420 120.400 -0.398 0.000 2.204 155 D HA -0.248 4.392 4.640 -0.000 0.000 0.189 155 D C 1.813 177.241 176.300 -1.452 0.000 1.006 155 D CA 1.874 55.397 54.000 -0.794 0.000 0.855 155 D CB -0.709 39.853 40.800 -0.397 0.000 0.946 155 D HN 0.233 nan 8.370 nan 0.000 0.448 156 V N 0.978 120.313 119.914 -0.965 0.000 2.307 156 V HA -0.149 3.971 4.120 -0.000 0.000 0.245 156 V C 2.338 177.957 176.094 -0.793 0.000 1.045 156 V CA 2.325 64.005 62.300 -1.033 0.000 1.024 156 V CB -0.656 30.680 31.823 -0.812 0.000 0.651 156 V HN 0.246 nan 8.190 nan 0.000 0.449 157 A N 0.059 122.588 122.820 -0.485 0.000 2.009 157 A HA -0.215 4.105 4.320 -0.000 0.000 0.222 157 A C 2.167 179.560 177.584 -0.319 0.000 1.175 157 A CA 2.441 54.297 52.037 -0.302 0.000 0.651 157 A CB -0.581 18.296 19.000 -0.205 0.000 0.815 157 A HN 0.603 nan 8.150 nan 0.000 0.459 158 L N -2.098 118.853 121.223 -0.454 0.000 2.022 158 L HA -0.148 4.192 4.340 -0.000 0.000 0.204 158 L C 2.810 179.564 176.870 -0.192 0.000 1.076 158 L CA 1.383 56.010 54.840 -0.354 0.000 0.749 158 L CB -1.175 40.646 42.059 -0.397 0.000 0.903 158 L HN 0.594 nan 8.230 nan 0.000 0.439 159 W N 0.741 121.956 121.300 -0.142 0.000 2.317 159 W HA -0.253 4.407 4.660 -0.000 0.000 0.318 159 W C 2.583 179.146 176.519 0.074 0.000 1.227 159 W CA 0.899 58.291 57.345 0.078 0.000 1.269 159 W CB -1.383 27.918 29.460 -0.264 0.000 1.155 159 W HN 0.374 nan 8.180 nan 0.000 0.484 160 Q N 1.393 121.101 119.800 -0.153 0.000 2.325 160 Q HA -0.248 4.092 4.340 -0.000 0.000 0.211 160 Q C 2.047 178.167 176.000 0.200 0.000 0.988 160 Q CA 2.135 57.995 55.803 0.096 0.000 0.887 160 Q CB -0.372 28.345 28.738 -0.035 0.000 0.915 160 Q HN 0.434 nan 8.270 nan 0.000 0.440 161 K N -1.301 119.112 120.400 0.021 0.000 2.137 161 K HA -0.113 4.207 4.320 -0.000 0.000 0.202 161 K C 1.900 178.460 176.600 -0.066 0.000 1.052 161 K CA 0.717 56.972 56.287 -0.054 0.000 0.961 161 K CB -0.045 32.341 32.500 -0.190 0.000 0.741 161 K HN 0.293 nan 8.250 nan 0.000 0.452 162 H N 0.681 119.793 119.070 0.070 0.000 2.357 162 H HA -0.120 4.436 4.556 -0.000 0.000 0.301 162 H C 2.120 177.356 175.328 -0.155 0.000 1.082 162 H CA 1.350 57.369 56.048 -0.048 0.000 1.342 162 H CB -0.182 29.532 29.762 -0.081 0.000 1.389 162 H HN 0.167 nan 8.280 nan 0.000 0.511 163 L N 1.489 122.736 121.223 0.040 0.000 2.079 163 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 163 L C 1.943 178.860 176.870 0.079 0.000 1.081 163 L CA 2.031 56.895 54.840 0.040 0.000 0.752 163 L CB -0.651 41.726 42.059 0.531 0.000 0.896 163 L HN 0.107 nan 8.230 nan 0.000 0.433 164 D N -1.347 119.138 120.400 0.142 0.000 2.077 164 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 164 D C 2.179 178.505 176.300 0.042 0.000 0.986 164 D CA 1.896 55.964 54.000 0.113 0.000 0.829 164 D CB -0.196 40.691 40.800 0.145 0.000 0.983 164 D HN 0.524 nan 8.370 nan 0.000 0.453 165 T N -2.073 112.497 114.554 0.026 0.000 2.896 165 T HA -0.147 4.203 4.350 -0.000 0.000 0.270 165 T C 1.700 176.396 174.700 -0.006 0.000 1.104 165 T CA 1.544 63.651 62.100 0.011 0.000 1.115 165 T CB -0.414 68.459 68.868 0.009 0.000 0.843 165 T HN 0.164 nan 8.240 nan 0.000 0.523 166 A N 0.063 122.866 122.820 -0.027 0.000 1.973 166 A HA 0.479 4.799 4.320 -0.000 0.000 0.210 166 A C 2.155 179.713 177.584 -0.044 0.000 1.200 166 A CA 0.815 52.821 52.037 -0.053 0.000 0.707 166 A CB -0.453 18.491 19.000 -0.095 0.000 0.862 166 A HN 0.430 nan 8.150 nan 0.000 0.461 167 M N 0.833 120.384 119.600 -0.082 0.000 2.074 167 M HA -0.096 4.384 4.480 -0.000 0.000 0.259 167 M C 2.317 178.576 176.300 -0.069 0.000 1.079 167 M CA 2.629 57.816 55.300 -0.188 0.000 1.119 167 M CB -0.915 31.386 32.600 -0.497 0.000 1.297 167 M HN 0.521 nan 8.290 nan 0.000 0.416 168 T N -1.435 113.116 114.554 -0.006 0.000 2.946 168 T HA -0.186 4.164 4.350 -0.000 0.000 0.271 168 T C 1.609 176.356 174.700 0.078 0.000 1.104 168 T CA 1.215 63.353 62.100 0.063 0.000 1.114 168 T CB -0.845 68.070 68.868 0.078 0.000 0.867 168 T HN 0.505 nan 8.240 nan 0.000 0.513 169 M N 1.610 121.250 119.600 0.067 0.000 2.766 169 M HA 0.248 4.728 4.480 -0.000 0.000 0.208 169 M C -0.244 176.180 176.300 0.206 0.000 1.152 169 M CA 0.499 55.860 55.300 0.102 0.000 1.013 169 M CB -0.760 31.874 32.600 0.057 0.000 1.813 169 M HN 0.561 nan 8.290 nan 0.000 0.478 170 L N -2.639 118.719 121.223 0.225 0.000 2.562 170 L HA 0.230 4.570 4.340 -0.000 0.000 0.307 170 L C -0.206 176.899 176.870 0.392 0.000 1.292 170 L CA -0.486 54.582 54.840 0.380 0.000 0.654 170 L CB -1.375 40.889 42.059 0.342 0.000 0.997 170 L HN 0.025 nan 8.230 nan 0.000 0.521 171 T N 1.309 116.022 114.554 0.265 0.000 2.487 171 T HA -0.101 4.249 4.350 -0.000 0.000 0.490 171 T C -1.337 173.552 174.700 0.316 0.000 0.794 171 T CA 0.778 63.014 62.100 0.226 0.000 3.697 171 T CB -0.694 68.262 68.868 0.147 0.000 0.878 171 T HN 0.600 nan 8.240 nan 0.000 0.259 172 P HA 0.160 nan 4.420 nan 0.000 0.258 172 P C -0.334 177.110 177.300 0.240 0.000 1.403 172 P CA 0.299 63.546 63.100 0.246 0.000 0.826 172 P CB 0.462 32.263 31.700 0.168 0.000 1.414 173 D N 0.876 121.410 120.400 0.222 0.000 2.542 173 D HA 0.283 4.923 4.640 -0.000 0.000 0.252 173 D C 0.253 176.636 176.300 0.139 0.000 1.222 173 D CA -0.397 53.705 54.000 0.170 0.000 0.895 173 D CB 1.779 42.668 40.800 0.148 0.000 1.207 173 D HN 0.132 nan 8.370 nan 0.000 0.558 174 I N -0.916 119.733 120.570 0.131 0.000 2.947 174 I HA 0.606 4.776 4.170 -0.000 0.000 0.314 174 I C 0.528 176.687 176.117 0.070 0.000 1.028 174 I CA -0.711 60.648 61.300 0.099 0.000 1.077 174 I CB 2.106 40.178 38.000 0.120 0.000 1.274 174 I HN 0.148 nan 8.210 nan 0.000 0.485 175 S N 1.296 117.026 115.700 0.050 0.000 2.952 175 S HA 0.735 5.205 4.470 -0.000 0.000 0.251 175 S C -0.027 174.589 174.600 0.027 0.000 1.021 175 S CA 0.003 58.225 58.200 0.036 0.000 1.067 175 S CB 0.271 63.490 63.200 0.032 0.000 1.002 175 S HN 1.180 nan 8.310 nan 0.000 0.574 176 A N 0.453 123.291 122.820 0.030 0.000 2.500 176 A HA 0.787 5.107 4.320 -0.000 0.000 0.288 176 A C 0.557 178.158 177.584 0.028 0.000 1.045 176 A CA -0.053 51.998 52.037 0.023 0.000 0.830 176 A CB 0.364 19.375 19.000 0.019 0.000 1.337 176 A HN 1.713 nan 8.150 nan 0.000 0.400 177 G N 1.353 110.166 108.800 0.021 0.000 2.692 177 G HA2 0.126 4.086 3.960 -0.000 0.000 0.248 177 G HA3 0.126 4.086 3.960 -0.000 0.000 0.248 177 G C 0.524 175.446 174.900 0.036 0.000 1.340 177 G CA 0.180 45.295 45.100 0.024 0.000 0.896 177 G HN 1.643 nan 8.290 nan 0.000 0.570 178 S N -1.165 114.560 115.700 0.041 0.000 2.589 178 S HA 0.966 5.436 4.470 -0.000 0.000 0.272 178 S C 0.346 174.999 174.600 0.089 0.000 1.096 178 S CA 0.848 59.081 58.200 0.056 0.000 0.985 178 S CB 1.363 64.584 63.200 0.035 0.000 1.278 178 S HN 2.517 nan 8.310 nan 0.000 0.528 179 A N 1.090 123.971 122.820 0.101 0.000 1.320 179 A HA 0.451 4.771 4.320 -0.000 0.000 0.218 179 A C -0.266 177.395 177.584 0.128 0.000 0.940 179 A CA -0.422 51.710 52.037 0.159 0.000 0.663 179 A CB -0.646 18.508 19.000 0.256 0.000 0.547 179 A HN 0.824 nan 8.150 nan 0.000 0.322 180 S N -0.034 115.696 115.700 0.051 0.000 2.690 180 S HA 0.826 5.296 4.470 -0.000 0.000 0.285 180 S C 0.365 174.864 174.600 -0.169 0.000 1.135 180 S CA -0.244 57.912 58.200 -0.073 0.000 1.020 180 S CB 1.686 64.862 63.200 -0.039 0.000 1.159 180 S HN 2.414 nan 8.310 nan 0.000 0.534 181 C N 2.375 121.539 119.300 -0.227 0.000 3.212 181 C HA 0.404 4.864 4.460 -0.000 0.000 0.367 181 C C -0.378 174.545 174.990 -0.111 0.000 0.979 181 C CA -0.696 58.175 59.018 -0.244 0.000 1.283 181 C CB -1.653 25.696 27.740 -0.652 0.000 1.644 181 C HN 1.180 nan 8.230 nan 0.000 0.575 182 N N 3.749 122.429 118.700 -0.033 0.000 1.801 182 N HA -0.198 4.542 4.740 -0.000 0.000 0.315 182 N C 1.207 176.761 175.510 0.073 0.000 1.326 182 N CA 0.994 54.063 53.050 0.031 0.000 0.840 182 N CB 0.224 38.723 38.487 0.020 0.000 1.126 182 N HN 0.897 nan 8.380 nan 0.000 0.499 183 W N 3.986 125.229 121.300 -0.095 0.000 2.275 183 W HA -0.374 4.286 4.660 -0.000 0.000 0.321 183 W C 1.162 177.637 176.519 -0.073 0.000 1.269 183 W CA 1.429 58.719 57.345 -0.092 0.000 1.274 183 W CB -0.130 29.283 29.460 -0.079 0.000 1.141 183 W HN 0.602 nan 8.180 nan 0.000 0.493 184 K N 0.342 120.717 120.400 -0.041 0.000 1.988 184 K HA -0.210 4.110 4.320 -0.000 0.000 0.221 184 K C 2.055 178.542 176.600 -0.190 0.000 1.053 184 K CA 2.068 58.267 56.287 -0.147 0.000 0.959 184 K CB -1.256 31.227 32.500 -0.030 0.000 0.728 184 K HN 0.118 nan 8.250 nan 0.000 0.447 185 S N 1.648 117.296 115.700 -0.087 0.000 2.389 185 S HA -0.219 4.251 4.470 -0.000 0.000 0.229 185 S C 1.985 176.521 174.600 -0.107 0.000 1.048 185 S CA 1.645 59.824 58.200 -0.034 0.000 1.117 185 S CB -0.601 62.595 63.200 -0.007 0.000 1.020 185 S HN 0.253 nan 8.310 nan 0.000 0.430 186 L N 1.394 122.497 121.223 -0.200 0.000 2.011 186 L HA -0.204 4.136 4.340 -0.000 0.000 0.225 186 L C 2.190 178.876 176.870 -0.307 0.000 1.084 186 L CA 1.800 56.488 54.840 -0.253 0.000 0.791 186 L CB -0.694 41.193 42.059 -0.288 0.000 0.898 186 L HN 0.322 nan 8.230 nan 0.000 0.440 187 L N -1.242 119.611 121.223 -0.617 0.000 1.961 187 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 187 L C 2.567 179.235 176.870 -0.337 0.000 1.072 187 L CA 1.574 56.046 54.840 -0.613 0.000 0.749 187 L CB -0.767 40.787 42.059 -0.841 0.000 0.889 187 L HN 0.399 nan 8.230 nan 0.000 0.432 188 A N -0.851 121.822 122.820 -0.246 0.000 2.148 188 A HA -0.296 4.024 4.320 -0.000 0.000 0.222 188 A C 2.022 179.523 177.584 -0.137 0.000 1.161 188 A CA 1.942 53.905 52.037 -0.124 0.000 0.662 188 A CB -0.858 18.130 19.000 -0.020 0.000 0.799 188 A HN 0.541 nan 8.150 nan 0.000 0.466 189 F N 0.387 120.092 119.950 -0.409 0.000 2.123 189 F HA 0.229 4.756 4.527 -0.000 0.000 0.289 189 F C 2.379 177.809 175.800 -0.617 0.000 1.099 189 F CA 1.095 58.611 58.000 -0.807 0.000 1.234 189 F CB -0.677 37.841 39.000 -0.803 0.000 1.034 189 F HN 0.164 nan 8.300 nan 0.000 0.479 190 A N 0.407 122.840 122.820 -0.645 0.000 2.070 190 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 190 A C 2.168 179.468 177.584 -0.473 0.000 1.159 190 A CA 1.523 53.174 52.037 -0.642 0.000 0.656 190 A CB -0.910 17.910 19.000 -0.299 0.000 0.800 190 A HN 0.515 nan 8.150 nan 0.000 0.453 191 K N -0.461 119.715 120.400 -0.373 0.000 2.281 191 K HA -0.175 4.145 4.320 -0.000 0.000 0.203 191 K C 0.824 177.273 176.600 -0.251 0.000 1.046 191 K CA 1.639 57.773 56.287 -0.254 0.000 0.938 191 K CB -0.096 32.292 32.500 -0.186 0.000 0.737 191 K HN 0.580 nan 8.250 nan 0.000 0.458 192 D N -0.146 120.032 120.400 -0.369 0.000 2.435 192 D HA 0.014 4.654 4.640 -0.000 0.000 0.257 192 D C 1.798 177.892 176.300 -0.344 0.000 1.290 192 D CA 0.427 54.246 54.000 -0.300 0.000 0.994 192 D CB -0.276 40.346 40.800 -0.296 0.000 1.014 192 D HN -0.135 nan 8.370 nan 0.000 0.378 193 I N 1.138 121.387 120.570 -0.535 0.000 2.253 193 I HA -0.295 3.875 4.170 -0.000 0.000 0.234 193 I C 0.990 176.951 176.117 -0.259 0.000 0.978 193 I CA 1.064 62.115 61.300 -0.414 0.000 1.271 193 I CB -1.301 36.335 38.000 -0.607 0.000 0.978 193 I HN 0.148 nan 8.210 nan 0.000 0.394 194 L N 3.798 124.860 121.223 -0.269 0.000 2.806 194 L HA -0.063 4.277 4.340 -0.000 0.000 0.282 194 L C -1.727 175.071 176.870 -0.119 0.000 1.166 194 L CA -0.554 54.185 54.840 -0.168 0.000 0.969 194 L CB -0.851 41.104 42.059 -0.173 0.000 1.304 194 L HN 0.151 nan 8.230 nan 0.000 0.474 195 P HA -0.048 nan 4.420 nan 0.000 0.268 195 P C 0.788 178.060 177.300 -0.047 0.000 1.205 195 P CA -0.549 62.522 63.100 -0.050 0.000 0.771 195 P CB 0.774 32.460 31.700 -0.023 0.000 0.858 196 L N 1.575 122.772 121.223 -0.043 0.000 2.671 196 L HA -0.152 4.188 4.340 -0.000 0.000 0.236 196 L C 0.657 177.505 176.870 -0.037 0.000 1.178 196 L CA 1.805 56.619 54.840 -0.043 0.000 0.829 196 L CB -1.554 40.485 42.059 -0.033 0.000 0.956 196 L HN 0.394 nan 8.230 nan 0.000 0.455 197 D N -2.004 118.383 120.400 -0.022 0.000 2.623 197 D HA 0.084 4.724 4.640 -0.000 0.000 0.252 197 D C 0.993 177.279 176.300 -0.023 0.000 1.294 197 D CA -0.116 53.879 54.000 -0.009 0.000 0.824 197 D CB 0.259 41.078 40.800 0.032 0.000 1.070 197 D HN 0.211 nan 8.370 nan 0.000 0.487 198 N N 0.243 118.901 118.700 -0.071 0.000 2.199 198 N HA 0.165 4.905 4.740 -0.000 0.000 0.254 198 N C 0.521 175.685 175.510 -0.577 0.000 1.299 198 N CA 0.149 53.119 53.050 -0.134 0.000 0.940 198 N CB 0.481 38.922 38.487 -0.078 0.000 1.051 198 N HN -0.067 nan 8.380 nan 0.000 0.426 199 L N -1.008 119.935 121.223 -0.468 0.000 4.368 199 L HA 0.187 4.527 4.340 -0.000 0.000 0.430 199 L C 0.651 177.555 176.870 0.056 0.000 1.098 199 L CA 0.225 54.979 54.840 -0.143 0.000 1.557 199 L CB -1.116 40.926 42.059 -0.029 0.000 1.638 199 L HN 0.583 nan 8.230 nan 0.000 0.622 200 C N -0.310 118.816 119.300 -0.290 0.000 2.697 200 C HA 0.248 4.708 4.460 -0.000 0.000 0.267 200 C C 2.122 177.087 174.990 -0.042 0.000 1.278 200 C CA 0.136 59.004 59.018 -0.251 0.000 1.708 200 C CB -0.655 26.870 27.740 -0.358 0.000 1.860 200 C HN 0.439 nan 8.230 nan 0.000 0.589 201 L N -0.468 120.722 121.223 -0.056 0.000 2.470 201 L HA 0.104 4.444 4.340 -0.000 0.000 0.219 201 L C 2.476 179.300 176.870 -0.078 0.000 1.071 201 L CA 0.934 55.733 54.840 -0.069 0.000 0.850 201 L CB -0.506 41.496 42.059 -0.094 0.000 1.040 201 L HN 0.141 nan 8.230 nan 0.000 0.475 202 T N -1.250 113.250 114.554 -0.090 0.000 3.043 202 T HA -0.017 4.333 4.350 -0.000 0.000 0.263 202 T C 0.404 174.789 174.700 -0.524 0.000 1.094 202 T CA 1.001 62.917 62.100 -0.307 0.000 1.127 202 T CB -0.009 68.649 68.868 -0.351 0.000 0.905 202 T HN 0.215 nan 8.240 nan 0.000 0.490 203 Y N -0.780 119.592 120.300 0.120 0.000 2.742 203 Y HA 0.268 4.818 4.550 -0.000 0.000 0.248 203 Y C -1.871 174.133 175.900 0.172 0.000 1.132 203 Y CA -2.356 55.810 58.100 0.110 0.000 1.142 203 Y CB 0.318 38.787 38.460 0.014 0.000 1.222 203 Y HN 0.012 nan 8.280 nan 0.000 0.575 204 P HA -0.316 nan 4.420 nan 0.000 0.227 204 P C 0.096 177.548 177.300 0.253 0.000 1.106 204 P CA 2.358 65.567 63.100 0.180 0.000 0.998 204 P CB -0.020 31.717 31.700 0.060 0.000 0.769 205 N N -1.760 117.063 118.700 0.205 0.000 3.025 205 N HA 0.247 4.987 4.740 -0.000 0.000 0.315 205 N C 0.470 176.086 175.510 0.176 0.000 1.511 205 N CA -0.273 52.926 53.050 0.248 0.000 1.097 205 N CB 0.521 39.123 38.487 0.193 0.000 1.395 205 N HN 0.074 nan 8.380 nan 0.000 0.511 206 E N -1.147 119.156 120.200 0.172 0.000 2.633 206 E HA 0.257 4.607 4.350 -0.000 0.000 0.214 206 E C -0.082 176.454 176.600 -0.106 0.000 0.898 206 E CA -0.005 56.404 56.400 0.015 0.000 1.422 206 E CB 0.152 29.870 29.700 0.032 0.000 1.398 206 E HN 0.296 nan 8.360 nan 0.000 0.752 207 F N -0.866 119.139 119.950 0.090 0.000 2.500 207 F HA 0.145 4.672 4.527 -0.000 0.000 0.285 207 F C 1.684 177.541 175.800 0.094 0.000 1.088 207 F CA 0.382 58.446 58.000 0.106 0.000 1.432 207 F CB -0.150 38.953 39.000 0.170 0.000 1.131 207 F HN 0.083 nan 8.300 nan 0.000 0.582 208 Y N 1.769 122.191 120.300 0.204 0.000 2.114 208 Y HA -0.281 4.269 4.550 -0.000 0.000 0.282 208 Y C 2.136 178.022 175.900 -0.023 0.000 1.165 208 Y CA 1.950 60.119 58.100 0.115 0.000 1.148 208 Y CB -0.865 37.676 38.460 0.135 0.000 0.972 208 Y HN 0.037 nan 8.280 nan 0.000 0.504 209 N N -0.462 118.135 118.700 -0.173 0.000 2.244 209 N HA -0.143 4.597 4.740 -0.000 0.000 0.183 209 N C 1.880 177.047 175.510 -0.572 0.000 1.016 209 N CA 1.580 54.398 53.050 -0.386 0.000 0.866 209 N CB -0.146 38.215 38.487 -0.211 0.000 0.980 209 N HN 0.302 nan 8.380 nan 0.000 0.430 210 V N 1.804 121.486 119.914 -0.387 0.000 2.323 210 V HA -0.139 3.981 4.120 -0.000 0.000 0.244 210 V C 2.611 178.428 176.094 -0.461 0.000 1.041 210 V CA 1.661 63.655 62.300 -0.511 0.000 1.025 210 V CB -0.921 30.574 31.823 -0.546 0.000 0.656 210 V HN 0.230 nan 8.190 nan 0.000 0.451 211 A N 0.292 122.992 122.820 -0.200 0.000 1.859 211 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 211 A C 2.192 179.754 177.584 -0.037 0.000 1.198 211 A CA 2.281 54.347 52.037 0.048 0.000 0.629 211 A CB -0.805 18.290 19.000 0.158 0.000 0.830 211 A HN 0.469 nan 8.150 nan 0.000 0.446 212 I N -0.673 119.697 120.570 -0.332 0.000 2.367 212 I HA -0.359 3.811 4.170 -0.000 0.000 0.256 212 I C 1.886 177.946 176.117 -0.095 0.000 1.132 212 I CA 1.798 62.910 61.300 -0.313 0.000 1.397 212 I CB -0.408 37.284 38.000 -0.513 0.000 1.074 212 I HN 0.518 nan 8.210 nan 0.000 0.435 213 H N -0.926 118.039 119.070 -0.175 0.000 2.539 213 H HA 0.136 4.691 4.556 -0.000 0.000 0.267 213 H C 1.791 176.991 175.328 -0.212 0.000 0.982 213 H CA -0.101 55.845 56.048 -0.170 0.000 1.146 213 H CB 0.327 29.965 29.762 -0.207 0.000 1.382 213 H HN 0.281 nan 8.280 nan 0.000 0.577 214 R N -0.475 119.913 120.500 -0.186 0.000 2.435 214 R HA 0.105 4.445 4.340 -0.000 0.000 0.221 214 R C -0.664 175.146 176.300 -0.817 0.000 0.885 214 R CA 0.076 55.872 56.100 -0.507 0.000 1.018 214 R CB 0.815 30.703 30.300 -0.687 0.000 1.259 214 R HN 0.130 nan 8.270 nan 0.000 0.597 215 Y N 1.882 122.179 120.300 -0.005 0.000 2.555 215 Y HA 0.303 4.853 4.550 -0.000 0.000 0.326 215 Y C -1.856 174.035 175.900 -0.015 0.000 0.984 215 Y CA -2.838 55.268 58.100 0.010 0.000 1.298 215 Y CB 1.379 39.858 38.460 0.031 0.000 1.094 215 Y HN -0.090 nan 8.280 nan 0.000 0.500 216 P HA -0.035 nan 4.420 nan 0.000 0.259 216 P C 0.752 178.061 177.300 0.016 0.000 1.307 216 P CA 0.719 63.819 63.100 0.000 0.000 0.768 216 P CB 0.221 31.906 31.700 -0.026 0.000 1.199 217 A N 0.320 123.190 122.820 0.083 0.000 1.871 217 A HA 0.081 4.401 4.320 -0.000 0.000 0.211 217 A C 1.311 178.896 177.584 0.002 0.000 1.207 217 A CA 0.334 52.407 52.037 0.058 0.000 0.620 217 A CB -0.902 18.166 19.000 0.115 0.000 0.860 217 A HN 0.193 nan 8.150 nan 0.000 0.450 218 L N 1.750 122.987 121.223 0.024 0.000 2.485 218 L HA 0.179 4.519 4.340 -0.000 0.000 0.279 218 L C -0.518 176.272 176.870 -0.133 0.000 1.124 218 L CA 0.108 54.904 54.840 -0.072 0.000 0.888 218 L CB 0.076 42.136 42.059 0.003 0.000 1.217 218 L HN 0.185 nan 8.230 nan 0.000 0.464 219 K N 5.289 125.584 120.400 -0.176 0.000 2.293 219 K HA 0.416 4.736 4.320 -0.000 0.000 0.267 219 K C -2.264 174.233 176.600 -0.170 0.000 1.010 219 K CA -1.755 54.441 56.287 -0.153 0.000 0.875 219 K CB 1.128 33.548 32.500 -0.133 0.000 1.106 219 K HN 0.309 nan 8.250 nan 0.000 0.450 220 P HA 0.033 nan 4.420 nan 0.000 0.271 220 P C -0.044 177.221 177.300 -0.059 0.000 1.216 220 P CA -0.358 62.701 63.100 -0.067 0.000 0.776 220 P CB 0.830 32.502 31.700 -0.047 0.000 0.881 221 G N 2.282 111.047 108.800 -0.059 0.000 2.354 221 G HA2 0.026 3.986 3.960 -0.000 0.000 0.266 221 G HA3 0.026 3.986 3.960 -0.000 0.000 0.266 221 G C 0.300 175.196 174.900 -0.005 0.000 1.242 221 G CA -0.276 44.800 45.100 -0.040 0.000 0.923 221 G HN 0.582 nan 8.290 nan 0.000 0.476 222 N N 3.213 121.913 118.700 -0.000 0.000 2.412 222 N HA 0.059 4.799 4.740 -0.000 0.000 0.258 222 N C -1.038 174.479 175.510 0.011 0.000 1.236 222 N CA -1.672 51.384 53.050 0.010 0.000 0.882 222 N CB 1.373 39.867 38.487 0.012 0.000 1.066 222 N HN 0.086 nan 8.380 nan 0.000 0.465 223 P HA -0.076 nan 4.420 nan 0.000 0.214 223 P C -0.447 176.860 177.300 0.012 0.000 1.163 223 P CA 1.368 64.477 63.100 0.016 0.000 0.883 223 P CB 0.206 31.916 31.700 0.017 0.000 0.788 224 D N -1.649 118.757 120.400 0.009 0.000 3.139 224 D HA 0.195 4.835 4.640 -0.000 0.000 0.268 224 D C 0.520 176.824 176.300 0.006 0.000 1.322 224 D CA 0.415 54.419 54.000 0.007 0.000 0.940 224 D CB -0.286 40.517 40.800 0.006 0.000 1.050 224 D HN -0.019 nan 8.370 nan 0.000 0.503 225 T N -0.953 113.605 114.554 0.007 0.000 4.881 225 T HA -0.091 4.259 4.350 -0.000 0.000 0.309 225 T C 0.337 175.040 174.700 0.005 0.000 0.953 225 T CA -0.333 61.771 62.100 0.006 0.000 0.552 225 T CB -0.282 68.589 68.868 0.005 0.000 0.856 225 T HN 0.095 nan 8.240 nan 0.000 0.584 226 K N 0.755 121.159 120.400 0.007 0.000 3.139 226 K HA -0.171 4.149 4.320 -0.000 0.000 0.261 226 K C -0.689 175.912 176.600 0.002 0.000 0.895 226 K CA 0.561 56.852 56.287 0.006 0.000 0.664 226 K CB -0.907 31.599 32.500 0.010 0.000 1.388 226 K HN 0.286 nan 8.250 nan 0.000 0.472 227 L N -1.609 119.613 121.223 -0.002 0.000 2.350 227 L HA 0.518 4.858 4.340 -0.000 0.000 0.260 227 L C -1.778 175.082 176.870 -0.016 0.000 1.015 227 L CA -2.445 52.391 54.840 -0.008 0.000 0.821 227 L CB 1.749 43.807 42.059 -0.003 0.000 1.370 227 L HN -0.198 nan 8.230 nan 0.000 0.416 228 P HA 0.053 nan 4.420 nan 0.000 0.286 228 P C -0.433 176.858 177.300 -0.016 0.000 1.394 228 P CA 0.511 63.587 63.100 -0.040 0.000 0.763 228 P CB 0.413 32.081 31.700 -0.053 0.000 1.632 229 D N -4.613 115.777 120.400 -0.017 0.000 2.520 229 D HA 0.252 4.892 4.640 -0.000 0.000 0.386 229 D C 0.762 177.062 176.300 -0.001 0.000 1.267 229 D CA 0.708 54.719 54.000 0.018 0.000 0.958 229 D CB 0.387 41.225 40.800 0.064 0.000 1.462 229 D HN 0.210 nan 8.370 nan 0.000 0.438 230 A N 0.168 122.969 122.820 -0.032 0.000 1.293 230 A HA -0.291 4.029 4.320 -0.000 0.000 0.322 230 A C 0.516 178.055 177.584 -0.076 0.000 1.764 230 A CA 1.472 53.487 52.037 -0.037 0.000 1.092 230 A CB -1.322 17.671 19.000 -0.012 0.000 1.471 230 A HN 0.271 nan 8.150 nan 0.000 0.722 231 Q N 0.827 120.578 119.800 -0.082 0.000 2.421 231 Q HA 0.563 4.903 4.340 -0.000 0.000 0.255 231 Q C 0.121 175.845 176.000 -0.461 0.000 1.013 231 Q CA 0.775 56.461 55.803 -0.195 0.000 0.895 231 Q CB 0.598 29.298 28.738 -0.064 0.000 1.271 231 Q HN 1.497 nan 8.270 nan 0.000 0.460 232 A N 2.903 125.428 122.820 -0.491 0.000 2.318 232 A HA 0.474 4.794 4.320 -0.000 0.000 0.317 232 A C -0.856 176.373 177.584 -0.592 0.000 1.159 232 A CA -0.734 51.008 52.037 -0.491 0.000 0.799 232 A CB 0.559 19.431 19.000 -0.212 0.000 1.194 232 A HN 0.699 nan 8.150 nan 0.000 0.479 233 H N 3.871 122.932 119.070 -0.013 0.000 2.482 233 H HA 0.280 4.836 4.556 -0.000 0.000 0.231 233 H C -2.514 172.811 175.328 -0.005 0.000 1.612 233 H CA -1.591 54.450 56.048 -0.013 0.000 1.279 233 H CB -0.205 29.546 29.762 -0.018 0.000 1.562 233 H HN 0.519 nan 8.280 nan 0.000 0.553 234 P HA 0.038 nan 4.420 nan 0.000 0.284 234 P C 1.265 178.585 177.300 0.034 0.000 1.253 234 P CA -0.666 62.458 63.100 0.039 0.000 0.800 234 P CB 2.009 33.705 31.700 -0.006 0.000 0.961 235 L N 2.417 123.645 121.223 0.010 0.000 2.211 235 L HA -0.150 4.190 4.340 -0.000 0.000 0.216 235 L C 2.050 179.022 176.870 0.171 0.000 1.092 235 L CA 2.380 57.282 54.840 0.104 0.000 0.767 235 L CB -1.889 40.253 42.059 0.139 0.000 0.894 235 L HN 0.622 nan 8.230 nan 0.000 0.437 236 G N -1.402 107.464 108.800 0.109 0.000 3.379 236 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.253 236 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.253 236 G C 1.184 176.116 174.900 0.053 0.000 1.262 236 G CA 0.169 45.323 45.100 0.090 0.000 0.959 236 G HN 0.316 nan 8.290 nan 0.000 0.524 237 E N 0.017 120.245 120.200 0.047 0.000 2.170 237 E HA -0.289 4.061 4.350 -0.000 0.000 0.229 237 E C 2.424 179.058 176.600 0.056 0.000 1.074 237 E CA 2.401 58.827 56.400 0.043 0.000 0.930 237 E CB -0.268 29.457 29.700 0.042 0.000 0.806 237 E HN 0.252 nan 8.360 nan 0.000 0.478 238 V N 0.221 120.180 119.914 0.074 0.000 2.255 238 V HA -0.182 3.938 4.120 -0.000 0.000 0.243 238 V C 2.356 178.583 176.094 0.221 0.000 1.038 238 V CA 1.820 64.216 62.300 0.160 0.000 1.008 238 V CB -1.225 30.680 31.823 0.137 0.000 0.645 238 V HN 0.507 nan 8.190 nan 0.000 0.449 239 A N 1.007 123.908 122.820 0.136 0.000 1.903 239 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 239 A C 2.372 180.034 177.584 0.130 0.000 1.191 239 A CA 2.437 54.553 52.037 0.130 0.000 0.638 239 A CB -1.459 17.585 19.000 0.073 0.000 0.823 239 A HN 0.591 nan 8.150 nan 0.000 0.451 240 G N -1.324 107.524 108.800 0.080 0.000 2.471 240 G HA2 0.100 4.060 3.960 -0.000 0.000 0.219 240 G HA3 0.100 4.060 3.960 -0.000 0.000 0.219 240 G C 1.564 176.480 174.900 0.026 0.000 1.125 240 G CA 1.303 46.431 45.100 0.045 0.000 0.775 240 G HN 0.841 nan 8.290 nan 0.000 0.548 241 A N 0.371 123.204 122.820 0.022 0.000 1.898 241 A HA 0.306 4.626 4.320 -0.000 0.000 0.214 241 A C 1.626 179.085 177.584 -0.209 0.000 1.183 241 A CA 0.470 52.442 52.037 -0.108 0.000 0.622 241 A CB -0.295 18.610 19.000 -0.158 0.000 0.824 241 A HN 0.258 nan 8.150 nan 0.000 0.444 242 F N 0.586 120.536 119.950 0.000 0.000 2.695 242 F HA 0.158 4.685 4.527 -0.000 0.000 0.301 242 F C 1.344 177.148 175.800 0.005 0.000 1.182 242 F CA 0.198 58.199 58.000 0.001 0.000 1.412 242 F CB 0.142 39.140 39.000 -0.002 0.000 1.056 242 F HN 0.223 nan 8.300 nan 0.000 0.522 243 N N -0.310 118.454 118.700 0.106 0.000 2.211 243 N HA 0.190 4.930 4.740 -0.000 0.000 0.216 243 N C 0.702 176.238 175.510 0.043 0.000 1.240 243 N CA 0.190 53.290 53.050 0.083 0.000 0.895 243 N CB 0.217 38.750 38.487 0.076 0.000 1.102 243 N HN 0.039 nan 8.380 nan 0.000 0.498 244 A N 1.202 124.028 122.820 0.011 0.000 2.561 244 A HA 0.386 4.706 4.320 -0.000 0.000 0.234 244 A C 0.641 178.226 177.584 0.003 0.000 1.055 244 A CA 0.158 52.194 52.037 -0.002 0.000 0.756 244 A CB 0.004 18.984 19.000 -0.035 0.000 0.986 244 A HN 0.252 nan 8.150 nan 0.000 0.505 245 A N 3.633 126.460 122.820 0.011 0.000 2.785 245 A HA 0.464 4.784 4.320 -0.000 0.000 0.294 245 A C 0.984 178.569 177.584 0.001 0.000 1.597 245 A CA 0.310 52.355 52.037 0.013 0.000 1.283 245 A CB -1.381 17.630 19.000 0.018 0.000 1.088 245 A HN 1.362 nan 8.150 nan 0.000 0.568 246 T N 0.923 115.473 114.554 -0.006 0.000 2.829 246 T HA 0.165 4.515 4.350 -0.000 0.000 0.293 246 T C 1.401 176.098 174.700 -0.006 0.000 0.970 246 T CA 0.141 62.231 62.100 -0.017 0.000 1.168 246 T CB 0.640 69.493 68.868 -0.026 0.000 0.911 246 T HN 1.046 nan 8.240 nan 0.000 0.535 247 S N 1.773 117.469 115.700 -0.007 0.000 2.440 247 S HA -0.188 4.282 4.470 -0.000 0.000 0.238 247 S C 1.456 176.055 174.600 -0.001 0.000 1.010 247 S CA 0.846 59.045 58.200 -0.002 0.000 0.972 247 S CB -0.385 62.813 63.200 -0.003 0.000 0.774 247 S HN 0.742 nan 8.310 nan 0.000 0.501 248 E N 1.287 121.485 120.200 -0.002 0.000 2.072 248 E HA 0.089 4.439 4.350 -0.000 0.000 0.190 248 E C 0.758 177.361 176.600 0.005 0.000 0.982 248 E CA 1.065 57.465 56.400 0.000 0.000 0.803 248 E CB -0.190 29.510 29.700 0.000 0.000 0.755 248 E HN 0.710 nan 8.360 nan 0.000 0.453 249 V N -3.218 116.701 119.914 0.008 0.000 2.567 249 V HA 0.698 4.818 4.120 -0.000 0.000 0.298 249 V C 1.144 177.248 176.094 0.016 0.000 1.047 249 V CA -0.477 61.831 62.300 0.013 0.000 0.880 249 V CB 1.003 32.836 31.823 0.018 0.000 1.009 249 V HN 0.237 nan 8.190 nan 0.000 0.429 250 G N 3.943 112.752 108.800 0.015 0.000 3.824 250 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.280 250 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.280 250 G C 0.685 175.598 174.900 0.022 0.000 0.963 250 G CA 1.638 46.748 45.100 0.017 0.000 0.865 250 G HN 2.042 nan 8.290 nan 0.000 1.379 251 S N -1.482 114.235 115.700 0.029 0.000 2.652 251 S HA 0.467 4.937 4.470 -0.000 0.000 0.273 251 S C 1.043 175.674 174.600 0.051 0.000 1.172 251 S CA -0.140 58.084 58.200 0.039 0.000 1.009 251 S CB 0.692 63.915 63.200 0.038 0.000 1.094 251 S HN 0.478 nan 8.310 nan 0.000 0.471 252 L N 4.299 125.565 121.223 0.073 0.000 2.013 252 L HA -0.077 4.263 4.340 -0.000 0.000 0.212 252 L C 2.587 179.499 176.870 0.071 0.000 1.073 252 L CA 1.692 56.584 54.840 0.087 0.000 0.753 252 L CB -0.912 41.239 42.059 0.154 0.000 0.890 252 L HN 0.639 nan 8.230 nan 0.000 0.432 253 V N 0.377 120.338 119.914 0.079 0.000 2.594 253 V HA -0.169 3.951 4.120 -0.000 0.000 0.253 253 V C 2.169 178.288 176.094 0.041 0.000 1.069 253 V CA 2.062 64.397 62.300 0.058 0.000 1.082 253 V CB -0.441 31.420 31.823 0.064 0.000 0.680 253 V HN 0.501 nan 8.190 nan 0.000 0.469 254 G N -0.209 108.615 108.800 0.041 0.000 2.607 254 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 254 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 254 G C 1.793 176.709 174.900 0.027 0.000 1.275 254 G CA 1.143 46.262 45.100 0.032 0.000 0.842 254 G HN 0.719 nan 8.290 nan 0.000 0.555 255 S N 1.149 116.865 115.700 0.027 0.000 2.428 255 S HA -0.275 4.195 4.470 -0.000 0.000 0.240 255 S C 2.431 177.043 174.600 0.020 0.000 1.036 255 S CA 2.456 60.670 58.200 0.023 0.000 1.009 255 S CB -0.820 62.394 63.200 0.024 0.000 0.803 255 S HN 0.750 nan 8.310 nan 0.000 0.486 256 S N 2.642 118.355 115.700 0.022 0.000 2.345 256 S HA -0.151 4.319 4.470 -0.000 0.000 0.220 256 S C 2.169 176.775 174.600 0.011 0.000 1.031 256 S CA 1.488 59.697 58.200 0.015 0.000 0.996 256 S CB -1.205 62.002 63.200 0.013 0.000 0.882 256 S HN 0.890 nan 8.310 nan 0.000 0.445 257 S N 1.075 116.783 115.700 0.013 0.000 2.345 257 S HA -0.134 4.336 4.470 -0.000 0.000 0.220 257 S C 2.122 176.729 174.600 0.012 0.000 1.031 257 S CA 1.786 59.993 58.200 0.011 0.000 0.996 257 S CB -1.966 61.242 63.200 0.014 0.000 0.882 257 S HN 0.666 nan 8.310 nan 0.000 0.445 258 T N 0.912 115.474 114.554 0.015 0.000 2.896 258 T HA -0.049 4.301 4.350 -0.000 0.000 0.270 258 T C 1.471 176.179 174.700 0.012 0.000 1.104 258 T CA 1.494 63.603 62.100 0.014 0.000 1.115 258 T CB -0.606 68.272 68.868 0.016 0.000 0.843 258 T HN 0.443 nan 8.240 nan 0.000 0.523 259 L N 0.442 121.672 121.223 0.011 0.000 2.185 259 L HA 0.068 4.408 4.340 -0.000 0.000 0.198 259 L C 3.027 179.900 176.870 0.005 0.000 1.079 259 L CA 1.158 56.003 54.840 0.008 0.000 0.780 259 L CB -0.431 41.633 42.059 0.007 0.000 0.955 259 L HN 0.365 nan 8.230 nan 0.000 0.462 260 S N -0.666 115.036 115.700 0.004 0.000 2.400 260 S HA -0.295 4.175 4.470 -0.000 0.000 0.232 260 S C 1.819 176.421 174.600 0.003 0.000 1.025 260 S CA 1.444 59.645 58.200 0.001 0.000 0.993 260 S CB -0.419 62.781 63.200 -0.001 0.000 0.808 260 S HN 0.367 nan 8.310 nan 0.000 0.478 261 Q N 2.793 122.596 119.800 0.006 0.000 1.993 261 Q HA 0.072 4.412 4.340 -0.000 0.000 0.202 261 Q C 2.265 178.270 176.000 0.007 0.000 0.984 261 Q CA 2.390 58.198 55.803 0.008 0.000 0.837 261 Q CB -1.356 27.388 28.738 0.010 0.000 0.902 261 Q HN 0.571 nan 8.270 nan 0.000 0.423 262 A N 0.583 123.408 122.820 0.008 0.000 1.908 262 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 262 A C 2.280 179.866 177.584 0.004 0.000 1.181 262 A CA 1.696 53.738 52.037 0.008 0.000 0.627 262 A CB -0.910 18.096 19.000 0.010 0.000 0.818 262 A HN 0.523 nan 8.150 nan 0.000 0.445 263 I N -0.095 120.477 120.570 0.002 0.000 2.264 263 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 263 I C 2.665 178.781 176.117 -0.002 0.000 1.111 263 I CA 1.372 62.671 61.300 -0.001 0.000 1.382 263 I CB -0.454 37.545 38.000 -0.002 0.000 1.060 263 I HN 0.266 nan 8.210 nan 0.000 0.418 264 S N 0.659 116.359 115.700 0.001 0.000 2.354 264 S HA -0.206 4.264 4.470 -0.000 0.000 0.219 264 S C 2.065 176.666 174.600 0.002 0.000 1.035 264 S CA 2.222 60.423 58.200 0.001 0.000 1.037 264 S CB -0.694 62.508 63.200 0.004 0.000 0.956 264 S HN 0.474 nan 8.310 nan 0.000 0.428 265 T N 3.137 117.692 114.554 0.003 0.000 2.597 265 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 265 T C 1.861 176.557 174.700 -0.007 0.000 1.053 265 T CA 1.542 63.643 62.100 0.002 0.000 1.165 265 T CB -0.479 68.391 68.868 0.002 0.000 0.863 265 T HN 0.136 nan 8.240 nan 0.000 0.427 266 M N 1.102 120.695 119.600 -0.010 0.000 2.116 266 M HA -0.143 4.337 4.480 -0.000 0.000 0.255 266 M C 2.596 178.886 176.300 -0.016 0.000 1.075 266 M CA 1.900 57.189 55.300 -0.018 0.000 1.087 266 M CB -1.434 31.158 32.600 -0.014 0.000 1.340 266 M HN 0.421 nan 8.290 nan 0.000 0.402 267 A N -1.039 121.776 122.820 -0.009 0.000 1.943 267 A HA 0.275 4.595 4.320 -0.000 0.000 0.213 267 A C 2.179 179.762 177.584 -0.002 0.000 1.181 267 A CA 1.168 53.201 52.037 -0.007 0.000 0.653 267 A CB -1.076 17.921 19.000 -0.006 0.000 0.833 267 A HN 0.471 nan 8.150 nan 0.000 0.451 268 G N 0.374 109.175 108.800 0.002 0.000 2.798 268 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.202 268 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.202 268 G C 1.329 176.240 174.900 0.019 0.000 1.432 268 G CA 1.127 46.232 45.100 0.008 0.000 0.861 268 G HN 0.346 nan 8.290 nan 0.000 0.598 269 K N -0.384 120.036 120.400 0.033 0.000 2.148 269 K HA -0.129 4.191 4.320 -0.000 0.000 0.213 269 K C 0.718 177.385 176.600 0.111 0.000 1.050 269 K CA 1.564 57.897 56.287 0.077 0.000 0.932 269 K CB -0.143 32.409 32.500 0.088 0.000 0.717 269 K HN 0.450 nan 8.250 nan 0.000 0.462 270 D N -2.906 117.536 120.400 0.070 0.000 2.812 270 D HA -0.093 4.547 4.640 -0.000 0.000 0.181 270 D C 0.075 176.415 176.300 0.066 0.000 1.008 270 D CA 0.043 54.080 54.000 0.062 0.000 0.830 270 D CB -1.237 39.580 40.800 0.028 0.000 0.934 270 D HN -0.099 nan 8.370 nan 0.000 0.437 271 L N 0.594 121.771 121.223 -0.077 0.000 2.083 271 L HA 0.039 4.379 4.340 -0.000 0.000 0.209 271 L C 1.300 178.124 176.870 -0.077 0.000 1.083 271 L CA 1.534 56.253 54.840 -0.202 0.000 0.752 271 L CB -0.915 41.051 42.059 -0.156 0.000 0.899 271 L HN 0.475 nan 8.230 nan 0.000 0.433 272 D N -0.021 120.359 120.400 -0.034 0.000 2.419 272 D HA 0.029 4.669 4.640 -0.000 0.000 0.236 272 D C 1.376 177.679 176.300 0.005 0.000 1.165 272 D CA 0.526 54.514 54.000 -0.019 0.000 0.882 272 D CB 0.401 41.190 40.800 -0.017 0.000 1.201 272 D HN 0.240 nan 8.370 nan 0.000 0.443 273 L N 1.986 123.211 121.223 0.002 0.000 4.351 273 L HA -0.237 4.103 4.340 -0.000 0.000 0.410 273 L C 0.488 177.390 176.870 0.053 0.000 1.150 273 L CA 0.911 55.758 54.840 0.011 0.000 0.961 273 L CB -2.141 39.911 42.059 -0.011 0.000 2.130 273 L HN 0.709 nan 8.230 nan 0.000 0.787 274 I N 0.287 120.900 120.570 0.072 0.000 2.493 274 I HA -0.162 4.008 4.170 -0.000 0.000 0.254 274 I C 1.508 177.716 176.117 0.151 0.000 1.160 274 I CA 2.154 63.548 61.300 0.157 0.000 1.445 274 I CB 0.114 38.153 38.000 0.066 0.000 1.086 274 I HN 0.621 nan 8.210 nan 0.000 0.433 275 E N 1.071 121.316 120.200 0.076 0.000 2.995 275 E HA 0.334 4.684 4.350 -0.000 0.000 0.203 275 E C 0.093 176.720 176.600 0.044 0.000 0.980 275 E CA -0.356 56.084 56.400 0.066 0.000 1.172 275 E CB 0.462 30.185 29.700 0.039 0.000 1.088 275 E HN 0.484 nan 8.360 nan 0.000 0.463 276 A N 1.003 123.848 122.820 0.041 0.000 2.540 276 A HA -0.017 4.303 4.320 -0.000 0.000 0.239 276 A C 0.246 177.846 177.584 0.026 0.000 1.061 276 A CA 0.260 52.309 52.037 0.021 0.000 0.758 276 A CB 0.272 19.275 19.000 0.006 0.000 0.991 276 A HN 0.316 nan 8.150 nan 0.000 0.502 277 D N 1.738 122.149 120.400 0.019 0.000 2.564 277 D HA 0.392 5.032 4.640 -0.000 0.000 0.226 277 D C -0.177 176.134 176.300 0.018 0.000 1.149 277 D CA 0.799 54.812 54.000 0.021 0.000 0.994 277 D CB 0.102 40.914 40.800 0.020 0.000 1.029 277 D HN 0.780 nan 8.370 nan 0.000 0.517 278 T N -0.282 114.284 114.554 0.020 0.000 3.230 278 T HA 0.204 4.554 4.350 -0.000 0.000 0.390 278 T C -3.141 171.571 174.700 0.020 0.000 1.761 278 T CA -1.203 60.908 62.100 0.017 0.000 1.129 278 T CB 1.161 70.035 68.868 0.010 0.000 1.583 278 T HN -0.171 nan 8.240 nan 0.000 0.480 279 P HA 0.257 nan 4.420 nan 0.000 0.259 279 P C -0.950 176.366 177.300 0.027 0.000 1.155 279 P CA 0.325 63.443 63.100 0.029 0.000 0.759 279 P CB 0.075 31.790 31.700 0.025 0.000 0.753 280 L N 6.731 127.985 121.223 0.053 0.000 2.406 280 L HA 0.417 4.757 4.340 -0.000 0.000 0.272 280 L C -2.338 174.588 176.870 0.094 0.000 0.980 280 L CA -2.516 52.348 54.840 0.039 0.000 0.831 280 L CB 2.364 44.420 42.059 -0.005 0.000 1.253 280 L HN 0.142 nan 8.230 nan 0.000 0.406 281 P HA -0.035 nan 4.420 nan 0.000 0.264 281 P C 1.033 178.420 177.300 0.146 0.000 1.183 281 P CA -0.067 63.072 63.100 0.065 0.000 0.763 281 P CB 0.787 32.501 31.700 0.024 0.000 0.807 282 V N 2.763 122.771 119.914 0.156 0.000 2.453 282 V HA -0.293 3.827 4.120 -0.000 0.000 0.252 282 V C 2.328 178.559 176.094 0.229 0.000 1.068 282 V CA 2.592 65.028 62.300 0.226 0.000 1.070 282 V CB -1.471 30.395 31.823 0.072 0.000 0.664 282 V HN 0.734 nan 8.190 nan 0.000 0.461 283 S N 0.355 116.119 115.700 0.107 0.000 2.374 283 S HA -0.216 4.254 4.470 -0.000 0.000 0.227 283 S C 1.839 176.456 174.600 0.028 0.000 1.037 283 S CA 1.791 60.026 58.200 0.059 0.000 1.024 283 S CB -0.941 62.274 63.200 0.025 0.000 0.861 283 S HN 0.384 nan 8.310 nan 0.000 0.456 284 V N 0.326 120.218 119.914 -0.037 0.000 3.140 284 V HA -0.055 4.065 4.120 -0.000 0.000 0.269 284 V C 1.385 177.247 176.094 -0.387 0.000 1.149 284 V CA 1.388 63.553 62.300 -0.225 0.000 1.162 284 V CB -1.297 30.307 31.823 -0.365 0.000 0.756 284 V HN 0.556 nan 8.190 nan 0.000 0.523 285 F N -0.370 119.510 119.950 -0.118 0.000 2.653 285 F HA 0.155 4.682 4.527 -0.000 0.000 0.304 285 F C 1.565 177.337 175.800 -0.047 0.000 1.092 285 F CA 0.337 58.247 58.000 -0.150 0.000 1.279 285 F CB -0.509 38.389 39.000 -0.171 0.000 1.044 285 F HN 0.219 nan 8.300 nan 0.000 0.564 286 T N 0.510 115.135 114.554 0.118 0.000 3.397 286 T HA -0.204 4.146 4.350 -0.000 0.000 0.401 286 T C -2.322 172.431 174.700 0.088 0.000 0.769 286 T CA -0.420 61.730 62.100 0.084 0.000 1.981 286 T CB -2.021 66.886 68.868 0.064 0.000 1.714 286 T HN 0.132 nan 8.240 nan 0.000 0.632 287 P HA 0.408 nan 4.420 nan 0.000 0.270 287 P C -0.137 177.180 177.300 0.029 0.000 1.242 287 P CA -0.047 63.083 63.100 0.050 0.000 0.768 287 P CB 0.974 32.688 31.700 0.023 0.000 0.820 288 S N 2.950 118.665 115.700 0.024 0.000 2.618 288 S HA 0.416 4.886 4.470 -0.000 0.000 0.277 288 S C 0.007 174.610 174.600 0.005 0.000 1.138 288 S CA -0.981 57.227 58.200 0.013 0.000 0.844 288 S CB 1.327 64.538 63.200 0.018 0.000 1.127 288 S HN 0.377 nan 8.310 nan 0.000 0.474 289 L N -0.300 120.921 121.223 -0.003 0.000 3.833 289 L HA -0.130 4.210 4.340 -0.000 0.000 0.447 289 L C 0.150 177.010 176.870 -0.016 0.000 1.213 289 L CA 1.377 56.212 54.840 -0.009 0.000 0.801 289 L CB -1.668 40.389 42.059 -0.004 0.000 1.676 289 L HN 1.281 nan 8.230 nan 0.000 0.883 290 A N 2.434 125.240 122.820 -0.023 0.000 3.047 290 A HA 0.822 5.142 4.320 -0.000 0.000 0.337 290 A C -2.386 175.164 177.584 -0.056 0.000 1.143 290 A CA -0.438 51.579 52.037 -0.034 0.000 0.905 290 A CB 0.254 19.238 19.000 -0.027 0.000 1.088 290 A HN 0.404 nan 8.150 nan 0.000 0.488 291 P HA 0.422 nan 4.420 nan 0.000 0.228 291 P C -0.633 176.578 177.300 -0.149 0.000 1.714 291 P CA -0.345 62.692 63.100 -0.104 0.000 1.253 291 P CB 0.707 32.353 31.700 -0.090 0.000 1.486 292 R N 1.196 121.583 120.500 -0.188 0.000 2.539 292 R HA 0.536 4.876 4.340 -0.000 0.000 0.275 292 R C 0.800 176.783 176.300 -0.529 0.000 1.077 292 R CA -0.060 55.879 56.100 -0.268 0.000 1.097 292 R CB 0.655 30.842 30.300 -0.187 0.000 1.018 292 R HN 0.431 nan 8.270 nan 0.000 0.483 293 S N 1.449 116.847 115.700 -0.504 0.000 2.578 293 S HA 0.583 5.053 4.470 -0.000 0.000 0.301 293 S C -0.861 173.377 174.600 -0.604 0.000 1.091 293 S CA -0.762 57.085 58.200 -0.588 0.000 1.032 293 S CB 0.991 64.025 63.200 -0.277 0.000 1.064 293 S HN 0.479 nan 8.310 nan 0.000 0.508 294 Y N 0.462 120.781 120.300 0.033 0.000 3.258 294 Y HA 0.704 5.254 4.550 -0.000 0.000 0.311 294 Y C 0.818 176.766 175.900 0.081 0.000 1.587 294 Y CA -1.347 56.808 58.100 0.092 0.000 0.925 294 Y CB 0.768 39.343 38.460 0.192 0.000 1.323 294 Y HN 0.544 nan 8.280 nan 0.000 0.719 295 R N 0.741 121.462 120.500 0.369 0.000 2.714 295 R HA 0.211 4.551 4.340 -0.000 0.000 0.214 295 R C -3.146 173.246 176.300 0.152 0.000 1.474 295 R CA -1.172 55.060 56.100 0.220 0.000 1.435 295 R CB 0.771 31.234 30.300 0.271 0.000 1.517 295 R HN 0.380 nan 8.270 nan 0.000 0.748 296 P HA -0.045 nan 4.420 nan 0.000 0.281 296 P C 0.463 177.650 177.300 -0.189 0.000 1.274 296 P CA 0.589 63.678 63.100 -0.019 0.000 0.794 296 P CB 0.603 32.320 31.700 0.028 0.000 1.201 297 A N -3.207 119.503 122.820 -0.184 0.000 2.945 297 A HA -0.224 4.096 4.320 -0.000 0.000 0.263 297 A C 0.676 178.069 177.584 -0.319 0.000 1.293 297 A CA 1.689 53.561 52.037 -0.274 0.000 0.944 297 A CB -2.655 16.112 19.000 -0.389 0.000 1.093 297 A HN 0.392 nan 8.150 nan 0.000 0.786 298 F N -2.134 117.790 119.950 -0.043 0.000 2.533 298 F HA 0.349 4.876 4.527 -0.000 0.000 0.313 298 F C 0.890 176.645 175.800 -0.075 0.000 0.834 298 F CA -0.365 57.610 58.000 -0.041 0.000 1.061 298 F CB -0.100 38.891 39.000 -0.014 0.000 0.915 298 F HN 0.143 nan 8.300 nan 0.000 0.693 299 I N 2.822 123.437 120.570 0.075 0.000 2.752 299 I HA -0.071 4.099 4.170 -0.000 0.000 0.286 299 I C 0.638 176.676 176.117 -0.131 0.000 1.180 299 I CA 0.365 61.622 61.300 -0.073 0.000 1.404 299 I CB -0.040 37.816 38.000 -0.241 0.000 1.389 299 I HN -0.082 nan 8.210 nan 0.000 0.549 300 K N 9.018 129.358 120.400 -0.101 0.000 2.436 300 K HA 0.040 4.360 4.320 -0.000 0.000 0.275 300 K C -1.141 175.348 176.600 -0.185 0.000 0.999 300 K CA -1.012 55.207 56.287 -0.113 0.000 0.980 300 K CB 0.603 33.055 32.500 -0.081 0.000 0.919 300 K HN 0.378 nan 8.250 nan 0.000 0.484 301 P HA -0.246 nan 4.420 nan 0.000 0.216 301 P C 0.843 178.027 177.300 -0.195 0.000 1.150 301 P CA 1.556 64.523 63.100 -0.222 0.000 0.837 301 P CB 0.157 31.747 31.700 -0.183 0.000 0.786 302 E N 0.114 120.229 120.200 -0.142 0.000 2.358 302 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 302 E C 0.831 177.363 176.600 -0.113 0.000 1.010 302 E CA 0.844 57.175 56.400 -0.115 0.000 0.856 302 E CB -0.829 28.821 29.700 -0.084 0.000 0.795 302 E HN 0.183 nan 8.360 nan 0.000 0.504 303 D N 1.137 121.461 120.400 -0.127 0.000 2.349 303 D HA 0.160 4.800 4.640 -0.000 0.000 0.224 303 D C -0.052 176.172 176.300 -0.127 0.000 1.029 303 D CA 0.817 54.754 54.000 -0.105 0.000 0.879 303 D CB 0.687 41.433 40.800 -0.091 0.000 0.906 303 D HN 0.276 nan 8.370 nan 0.000 0.528 304 A N 0.648 123.340 122.820 -0.212 0.000 2.480 304 A HA 0.105 4.425 4.320 -0.000 0.000 0.302 304 A C 0.993 178.347 177.584 -0.382 0.000 1.151 304 A CA -0.609 51.269 52.037 -0.265 0.000 0.907 304 A CB 0.670 19.429 19.000 -0.401 0.000 1.487 304 A HN -0.274 nan 8.150 nan 0.000 0.396 305 K N 1.595 121.896 120.400 -0.166 0.000 2.184 305 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 305 K C 1.402 177.945 176.600 -0.095 0.000 1.048 305 K CA 2.250 58.470 56.287 -0.112 0.000 0.931 305 K CB -0.209 32.270 32.500 -0.035 0.000 0.718 305 K HN 1.013 nan 8.250 nan 0.000 0.465 306 W N 0.851 122.109 121.300 -0.071 0.000 3.435 306 W HA 0.269 4.929 4.660 -0.000 0.000 0.303 306 W C 0.020 176.501 176.519 -0.063 0.000 1.297 306 W CA -0.363 56.945 57.345 -0.062 0.000 1.638 306 W CB -0.972 28.451 29.460 -0.062 0.000 1.015 306 W HN -0.071 nan 8.180 nan 0.000 0.760 307 I N 1.425 121.742 120.570 -0.422 0.000 2.606 307 I HA 0.496 4.666 4.170 -0.000 0.000 0.275 307 I C -0.751 175.174 176.117 -0.319 0.000 1.220 307 I CA -0.272 60.761 61.300 -0.445 0.000 1.098 307 I CB 0.640 38.085 38.000 -0.926 0.000 1.321 307 I HN -0.073 nan 8.210 nan 0.000 0.468 308 A N 5.590 128.282 122.820 -0.213 0.000 2.264 308 A HA 0.819 5.139 4.320 -0.000 0.000 0.304 308 A C -0.543 176.801 177.584 -0.401 0.000 1.100 308 A CA -0.386 51.483 52.037 -0.280 0.000 0.839 308 A CB 0.952 19.801 19.000 -0.252 0.000 1.121 308 A HN 0.764 nan 8.150 nan 0.000 0.496 309 E N -0.420 119.542 120.200 -0.396 0.000 2.288 309 E HA 0.560 4.910 4.350 -0.000 0.000 0.268 309 E C -1.614 174.747 176.600 -0.399 0.000 0.885 309 E CA -0.621 55.558 56.400 -0.367 0.000 0.767 309 E CB 1.057 30.644 29.700 -0.188 0.000 1.220 309 E HN 0.305 nan 8.360 nan 0.000 0.427 310 F N 2.097 121.923 119.950 -0.207 0.000 2.666 310 F HA 0.141 4.668 4.527 -0.000 0.000 0.362 310 F C 0.089 175.812 175.800 -0.127 0.000 1.190 310 F CA -0.714 57.176 58.000 -0.183 0.000 1.328 310 F CB -0.852 38.049 39.000 -0.165 0.000 1.682 310 F HN 0.437 nan 8.300 nan 0.000 0.623 311 N N 1.621 120.322 118.700 0.001 0.000 2.498 311 N HA 0.032 4.771 4.740 -0.000 0.000 0.277 311 N C -0.576 174.936 175.510 0.003 0.000 1.208 311 N CA -0.431 52.616 53.050 -0.005 0.000 1.029 311 N CB -0.124 38.340 38.487 -0.038 0.000 1.403 311 N HN 0.342 nan 8.380 nan 0.000 0.500 312 N N 0.676 119.386 118.700 0.016 0.000 2.265 312 N HA 0.224 4.964 4.740 -0.000 0.000 0.300 312 N C -0.207 175.297 175.510 -0.011 0.000 1.148 312 N CA -0.759 52.292 53.050 0.001 0.000 0.772 312 N CB 1.784 40.274 38.487 0.004 0.000 1.434 312 N HN 0.157 nan 8.380 nan 0.000 0.481 313 S N 1.044 116.735 115.700 -0.016 0.000 2.482 313 S HA -0.164 4.306 4.470 -0.000 0.000 0.226 313 S C 1.241 175.826 174.600 -0.025 0.000 1.048 313 S CA 1.821 60.011 58.200 -0.017 0.000 1.158 313 S CB -0.554 62.636 63.200 -0.017 0.000 1.130 313 S HN 0.904 nan 8.310 nan 0.000 0.413 314 S N 1.917 117.596 115.700 -0.036 0.000 2.546 314 S HA 0.482 4.952 4.470 -0.000 0.000 0.265 314 S C 0.287 174.846 174.600 -0.069 0.000 1.190 314 S CA -0.861 57.307 58.200 -0.053 0.000 1.014 314 S CB -0.410 62.757 63.200 -0.054 0.000 1.087 314 S HN 0.364 nan 8.310 nan 0.000 0.525 315 L N -0.265 120.905 121.223 -0.090 0.000 2.439 315 L HA 0.526 4.866 4.340 -0.000 0.000 0.259 315 L C -0.205 176.601 176.870 -0.106 0.000 1.129 315 L CA -0.713 54.064 54.840 -0.105 0.000 0.803 315 L CB 0.081 42.066 42.059 -0.123 0.000 1.161 315 L HN 0.585 nan 8.230 nan 0.000 0.462 316 I N 0.906 121.397 120.570 -0.131 0.000 2.976 316 I HA 0.256 4.426 4.170 -0.000 0.000 0.328 316 I C -0.155 175.882 176.117 -0.132 0.000 1.396 316 I CA -0.379 60.837 61.300 -0.141 0.000 0.869 316 I CB 0.154 38.028 38.000 -0.210 0.000 2.156 316 I HN 0.564 nan 8.210 nan 0.000 0.595 317 R N 2.444 122.886 120.500 -0.098 0.000 2.446 317 R HA 0.160 4.500 4.340 -0.000 0.000 0.314 317 R C 0.007 176.271 176.300 -0.060 0.000 1.003 317 R CA 0.164 56.219 56.100 -0.074 0.000 1.018 317 R CB 0.450 30.715 30.300 -0.057 0.000 0.945 317 R HN 0.191 nan 8.270 nan 0.000 0.419 318 K N 1.301 121.669 120.400 -0.054 0.000 2.316 318 K HA 0.437 4.757 4.320 -0.000 0.000 0.234 318 K C -0.653 175.944 176.600 -0.004 0.000 1.054 318 K CA -0.502 55.765 56.287 -0.034 0.000 0.879 318 K CB 1.577 34.049 32.500 -0.047 0.000 1.252 318 K HN 0.561 nan 8.250 nan 0.000 0.471 319 T N -0.441 114.119 114.554 0.010 0.000 2.887 319 T HA 0.753 5.103 4.350 -0.000 0.000 0.292 319 T C -0.901 173.828 174.700 0.048 0.000 1.087 319 T CA -1.069 61.050 62.100 0.032 0.000 1.009 319 T CB 0.870 69.748 68.868 0.018 0.000 1.203 319 T HN 0.658 nan 8.240 nan 0.000 0.518 320 L N -2.115 119.152 121.223 0.073 0.000 2.787 320 L HA 0.543 4.883 4.340 -0.000 0.000 0.260 320 L C -1.349 175.593 176.870 0.120 0.000 0.921 320 L CA -0.941 53.955 54.840 0.094 0.000 0.984 320 L CB 1.468 43.595 42.059 0.113 0.000 1.519 320 L HN 0.628 nan 8.230 nan 0.000 0.452 321 T N 3.426 118.031 114.554 0.085 0.000 2.775 321 T HA 0.257 4.607 4.350 -0.000 0.000 0.287 321 T C -0.878 173.911 174.700 0.148 0.000 0.909 321 T CA 0.424 62.561 62.100 0.061 0.000 1.081 321 T CB -0.451 68.426 68.868 0.015 0.000 0.891 321 T HN 0.467 nan 8.240 nan 0.000 0.544 322 Y N 3.773 124.131 120.300 0.096 0.000 2.402 322 Y HA 0.436 4.986 4.550 -0.000 0.000 0.332 322 Y C 0.592 176.591 175.900 0.164 0.000 0.960 322 Y CA -1.045 57.155 58.100 0.167 0.000 1.228 322 Y CB 0.628 39.259 38.460 0.286 0.000 1.120 322 Y HN 0.666 nan 8.280 nan 0.000 0.491 323 S N 4.205 119.621 115.700 -0.473 0.000 3.858 323 S HA -0.139 4.331 4.470 -0.000 0.000 0.356 323 S C 1.053 175.521 174.600 -0.219 0.000 1.013 323 S CA 1.471 59.402 58.200 -0.447 0.000 1.083 323 S CB -1.617 61.123 63.200 -0.767 0.000 0.883 323 S HN 2.441 nan 8.310 nan 0.000 0.475 324 G N 0.858 109.576 108.800 -0.137 0.000 5.426 324 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.297 324 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.297 324 G C 0.799 175.619 174.900 -0.132 0.000 1.422 324 G CA 0.932 45.970 45.100 -0.103 0.000 0.938 324 G HN 2.247 nan 8.290 nan 0.000 0.754 325 A N 0.871 123.583 122.820 -0.181 0.000 2.603 325 A HA 0.453 4.773 4.320 -0.000 0.000 0.235 325 A C 0.710 177.994 177.584 -0.500 0.000 1.035 325 A CA 1.881 53.711 52.037 -0.345 0.000 0.755 325 A CB -0.069 18.679 19.000 -0.419 0.000 0.954 325 A HN 1.279 nan 8.150 nan 0.000 0.511 326 T N 3.326 117.607 114.554 -0.455 0.000 2.733 326 T HA 0.524 4.874 4.350 -0.000 0.000 0.294 326 T C -0.783 173.679 174.700 -0.397 0.000 0.956 326 T CA 0.358 62.270 62.100 -0.314 0.000 0.987 326 T CB -0.047 68.737 68.868 -0.139 0.000 0.920 326 T HN 0.421 nan 8.240 nan 0.000 0.470 327 Y N 0.977 121.329 120.300 0.086 0.000 2.567 327 Y HA 0.665 5.215 4.550 -0.000 0.000 0.333 327 Y C 1.001 176.929 175.900 0.047 0.000 1.106 327 Y CA -1.285 56.862 58.100 0.078 0.000 1.157 327 Y CB 1.122 39.645 38.460 0.106 0.000 1.277 327 Y HN 0.667 nan 8.280 nan 0.000 0.490 328 T N 0.904 115.589 114.554 0.220 0.000 2.833 328 T HA 0.602 4.952 4.350 -0.000 0.000 0.297 328 T C -0.649 174.097 174.700 0.076 0.000 1.015 328 T CA -0.691 61.472 62.100 0.104 0.000 0.963 328 T CB -0.085 68.819 68.868 0.059 0.000 0.955 328 T HN 0.394 nan 8.240 nan 0.000 0.449 329 V N 3.805 123.742 119.914 0.039 0.000 2.715 329 V HA 0.119 4.239 4.120 -0.000 0.000 0.299 329 V C 1.209 177.279 176.094 -0.039 0.000 1.054 329 V CA -0.255 62.044 62.300 -0.003 0.000 1.077 329 V CB 1.519 33.321 31.823 -0.035 0.000 0.972 329 V HN 1.022 nan 8.190 nan 0.000 0.484 330 Q N 1.903 121.676 119.800 -0.046 0.000 2.252 330 Q HA 0.182 4.522 4.340 -0.000 0.000 0.195 330 Q C 0.521 176.445 176.000 -0.128 0.000 0.974 330 Q CA 0.374 56.133 55.803 -0.074 0.000 0.846 330 Q CB 0.125 28.831 28.738 -0.053 0.000 0.943 330 Q HN 0.626 nan 8.270 nan 0.000 0.516 331 L N 0.033 121.174 121.223 -0.137 0.000 3.730 331 L HA -0.206 4.134 4.340 -0.000 0.000 0.410 331 L C 0.738 177.534 176.870 -0.124 0.000 1.234 331 L CA 0.566 55.293 54.840 -0.188 0.000 0.911 331 L CB -2.320 39.509 42.059 -0.384 0.000 1.942 331 L HN 0.315 nan 8.230 nan 0.000 0.860 332 G N 0.354 109.101 108.800 -0.087 0.000 2.883 332 G HA2 0.056 4.016 3.960 -0.000 0.000 0.309 332 G HA3 0.056 4.016 3.960 -0.000 0.000 0.309 332 G C -0.506 174.358 174.900 -0.059 0.000 1.278 332 G CA 0.121 45.174 45.100 -0.078 0.000 1.103 332 G HN 0.317 nan 8.290 nan 0.000 0.676 333 P HA -0.170 nan 4.420 nan 0.000 0.219 333 P C 1.406 178.707 177.300 0.001 0.000 1.161 333 P CA 1.962 65.047 63.100 -0.024 0.000 0.909 333 P CB -0.414 31.297 31.700 0.018 0.000 0.793 334 G N -0.280 108.527 108.800 0.011 0.000 2.553 334 G HA2 0.200 4.160 3.960 -0.000 0.000 0.278 334 G HA3 0.200 4.160 3.960 -0.000 0.000 0.278 334 G C -1.721 173.187 174.900 0.013 0.000 1.349 334 G CA -0.709 44.402 45.100 0.018 0.000 1.037 334 G HN 0.061 nan 8.290 nan 0.000 0.508 335 P HA 0.072 nan 4.420 nan 0.000 0.229 335 P C 0.272 177.596 177.300 0.040 0.000 1.160 335 P CA 1.342 64.452 63.100 0.017 0.000 0.777 335 P CB -0.006 31.690 31.700 -0.006 0.000 0.814 336 T N -1.247 113.324 114.554 0.029 0.000 2.713 336 T HA -0.230 4.120 4.350 -0.000 0.000 0.482 336 T C -0.117 174.606 174.700 0.037 0.000 0.789 336 T CA 0.006 62.133 62.100 0.044 0.000 2.526 336 T CB -2.072 66.847 68.868 0.085 0.000 1.658 336 T HN 0.269 nan 8.240 nan 0.000 0.523 337 R N 1.114 121.590 120.500 -0.040 0.000 2.449 337 R HA 0.461 4.801 4.340 -0.000 0.000 0.296 337 R C 0.890 177.143 176.300 -0.078 0.000 1.047 337 R CA -0.410 55.628 56.100 -0.103 0.000 1.018 337 R CB 0.706 30.929 30.300 -0.128 0.000 0.962 337 R HN 0.687 nan 8.270 nan 0.000 0.428 338 V N 0.729 120.573 119.914 -0.117 0.000 2.715 338 V HA 0.479 4.599 4.120 -0.000 0.000 0.310 338 V C 0.413 176.509 176.094 0.003 0.000 1.054 338 V CA -1.247 61.040 62.300 -0.022 0.000 0.928 338 V CB 1.719 33.553 31.823 0.018 0.000 1.007 338 V HN 0.581 nan 8.190 nan 0.000 0.437 339 I N 3.347 123.992 120.570 0.126 0.000 2.662 339 I HA 0.094 4.264 4.170 -0.000 0.000 0.285 339 I C 0.656 176.887 176.117 0.191 0.000 1.161 339 I CA 0.549 61.974 61.300 0.207 0.000 1.415 339 I CB 0.020 38.221 38.000 0.336 0.000 1.385 339 I HN 0.726 nan 8.210 nan 0.000 0.552 340 D N 6.006 126.510 120.400 0.174 0.000 2.362 340 D HA 0.100 4.740 4.640 -0.000 0.000 0.242 340 D C 0.740 177.000 176.300 -0.066 0.000 1.132 340 D CA -0.132 53.956 54.000 0.147 0.000 0.907 340 D CB 1.159 42.041 40.800 0.136 0.000 1.195 340 D HN 0.367 nan 8.370 nan 0.000 0.429 341 M N 1.135 120.578 119.600 -0.261 0.000 2.447 341 M HA 0.029 4.509 4.480 -0.000 0.000 0.266 341 M C 0.428 176.520 176.300 -0.346 0.000 1.120 341 M CA 0.395 55.405 55.300 -0.484 0.000 1.166 341 M CB -0.749 31.605 32.600 -0.410 0.000 1.349 341 M HN 0.230 nan 8.290 nan 0.000 0.463 342 N N 1.383 119.986 118.700 -0.161 0.000 2.444 342 N HA 0.274 5.014 4.740 -0.000 0.000 0.255 342 N C 0.344 175.855 175.510 0.002 0.000 1.255 342 N CA 0.593 53.626 53.050 -0.029 0.000 0.933 342 N CB 0.465 38.932 38.487 -0.032 0.000 1.143 342 N HN 0.273 nan 8.380 nan 0.000 0.453 343 A N 1.070 123.925 122.820 0.058 0.000 2.546 343 A HA -0.157 4.163 4.320 -0.000 0.000 0.295 343 A C 0.179 177.811 177.584 0.081 0.000 1.455 343 A CA 0.468 52.555 52.037 0.084 0.000 0.730 343 A CB -1.415 17.644 19.000 0.097 0.000 1.111 343 A HN 0.526 nan 8.150 nan 0.000 0.411 344 M N 0.882 120.528 119.600 0.077 0.000 5.138 344 M HA 0.169 4.649 4.480 -0.000 0.000 0.619 344 M C 0.316 176.749 176.300 0.221 0.000 2.259 344 M CA 0.113 55.432 55.300 0.032 0.000 0.432 344 M CB -0.147 32.280 32.600 -0.288 0.000 1.469 344 M HN 1.185 nan 8.290 nan 0.000 0.661 345 I N 2.080 122.753 120.570 0.172 0.000 2.755 345 I HA -0.236 3.934 4.170 -0.000 0.000 0.138 345 I C -0.023 176.203 176.117 0.182 0.000 0.888 345 I CA 0.355 61.739 61.300 0.141 0.000 2.763 345 I CB -0.793 37.236 38.000 0.048 0.000 0.573 345 I HN 0.503 nan 8.210 nan 0.000 0.352 346 D N 4.625 125.103 120.400 0.130 0.000 4.599 346 D HA -0.028 4.612 4.640 -0.000 0.000 0.245 346 D C 0.504 176.831 176.300 0.045 0.000 1.474 346 D CA 0.905 54.896 54.000 -0.015 0.000 0.960 346 D CB -0.102 40.584 40.800 -0.189 0.000 1.280 346 D HN 0.775 nan 8.370 nan 0.000 0.716 347 S N 0.771 116.554 115.700 0.138 0.000 2.694 347 S HA 0.693 5.163 4.470 -0.000 0.000 0.286 347 S C -0.059 174.564 174.600 0.040 0.000 1.080 347 S CA -0.995 57.240 58.200 0.059 0.000 0.953 347 S CB 1.291 64.512 63.200 0.035 0.000 1.313 347 S HN 0.246 nan 8.310 nan 0.000 0.555 348 V N 1.576 121.488 119.914 -0.002 0.000 2.320 348 V HA 0.382 4.502 4.120 -0.000 0.000 0.268 348 V C -0.972 175.081 176.094 -0.068 0.000 1.021 348 V CA -0.396 61.889 62.300 -0.025 0.000 0.813 348 V CB 0.193 31.997 31.823 -0.033 0.000 1.054 348 V HN 0.629 nan 8.190 nan 0.000 0.444 349 L N 3.232 124.406 121.223 -0.082 0.000 2.418 349 L HA 0.389 4.729 4.340 -0.000 0.000 0.274 349 L C 0.779 177.499 176.870 -0.250 0.000 1.135 349 L CA 0.997 55.728 54.840 -0.182 0.000 0.870 349 L CB 1.171 43.074 42.059 -0.259 0.000 1.154 349 L HN 0.606 nan 8.230 nan 0.000 0.462 350 T N 5.145 119.558 114.554 -0.235 0.000 3.068 350 T HA 0.318 4.668 4.350 -0.000 0.000 0.364 350 T C -0.813 173.726 174.700 -0.268 0.000 1.161 350 T CA -0.652 61.310 62.100 -0.230 0.000 1.155 350 T CB 0.042 68.813 68.868 -0.161 0.000 1.060 350 T HN 0.304 nan 8.240 nan 0.000 0.513 351 L N 5.804 126.860 121.223 -0.278 0.000 2.407 351 L HA 0.443 4.783 4.340 -0.000 0.000 0.282 351 L C 0.186 176.958 176.870 -0.164 0.000 1.110 351 L CA -0.036 54.687 54.840 -0.195 0.000 0.863 351 L CB 0.327 42.305 42.059 -0.135 0.000 1.207 351 L HN 0.581 nan 8.230 nan 0.000 0.454 352 D N 4.554 124.815 120.400 -0.231 0.000 2.256 352 D HA 0.183 4.823 4.640 -0.000 0.000 0.250 352 D C -1.093 175.193 176.300 -0.024 0.000 1.093 352 D CA -0.307 53.583 54.000 -0.182 0.000 0.882 352 D CB 1.638 42.210 40.800 -0.382 0.000 1.185 352 D HN 0.357 nan 8.370 nan 0.000 0.437 353 V N 3.763 123.725 119.914 0.081 0.000 2.276 353 V HA 0.271 4.391 4.120 -0.000 0.000 0.268 353 V C -0.129 176.070 176.094 0.176 0.000 1.032 353 V CA -0.575 61.761 62.300 0.060 0.000 0.810 353 V CB 0.387 32.247 31.823 0.063 0.000 1.060 353 V HN 0.630 nan 8.190 nan 0.000 0.446 354 S N 1.840 117.611 115.700 0.118 0.000 2.540 354 S HA 0.765 5.235 4.470 -0.000 0.000 0.275 354 S C 0.691 175.355 174.600 0.107 0.000 1.123 354 S CA 0.316 58.614 58.200 0.162 0.000 0.907 354 S CB 2.055 65.345 63.200 0.149 0.000 1.081 354 S HN 1.875 nan 8.310 nan 0.000 0.476 355 G N 1.352 110.227 108.800 0.126 0.000 2.257 355 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.267 355 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.267 355 G C 0.387 175.324 174.900 0.062 0.000 0.984 355 G CA 0.561 45.712 45.100 0.086 0.000 0.626 355 G HN 1.168 nan 8.290 nan 0.000 0.540 356 T N 2.141 116.712 114.554 0.029 0.000 2.913 356 T HA 0.483 4.833 4.350 -0.000 0.000 0.297 356 T C 1.145 175.818 174.700 -0.046 0.000 1.029 356 T CA -0.548 61.527 62.100 -0.041 0.000 1.104 356 T CB 0.370 69.155 68.868 -0.138 0.000 0.964 356 T HN 0.209 nan 8.240 nan 0.000 0.532 357 I N 3.123 123.677 120.570 -0.027 0.000 2.948 357 I HA 0.058 4.228 4.170 -0.000 0.000 0.290 357 I C 0.266 176.374 176.117 -0.015 0.000 1.226 357 I CA 0.180 61.483 61.300 0.004 0.000 1.413 357 I CB 0.564 38.573 38.000 0.015 0.000 1.352 357 I HN 0.453 nan 8.210 nan 0.000 0.597 358 L N 8.502 129.767 121.223 0.069 0.000 2.490 358 L HA 0.410 4.750 4.340 -0.000 0.000 0.261 358 L C -2.301 174.585 176.870 0.026 0.000 1.232 358 L CA -1.047 53.893 54.840 0.167 0.000 0.892 358 L CB 1.340 43.705 42.059 0.511 0.000 1.085 358 L HN 0.257 nan 8.230 nan 0.000 0.491 359 P HA -0.031 nan 4.420 nan 0.000 0.249 359 P C 0.618 178.044 177.300 0.211 0.000 1.686 359 P CA 0.190 63.353 63.100 0.105 0.000 0.873 359 P CB -0.883 30.856 31.700 0.065 0.000 1.828 360 Y N -0.171 120.175 120.300 0.075 0.000 2.639 360 Y HA -0.103 4.447 4.550 -0.000 0.000 0.297 360 Y C 1.670 177.594 175.900 0.039 0.000 1.151 360 Y CA -0.220 57.911 58.100 0.052 0.000 1.335 360 Y CB -0.786 37.724 38.460 0.083 0.000 0.994 360 Y HN 0.073 nan 8.280 nan 0.000 0.548 361 D N 1.857 122.583 120.400 0.544 0.000 2.097 361 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 361 D C 1.584 177.941 176.300 0.094 0.000 0.984 361 D CA 1.991 56.115 54.000 0.207 0.000 0.826 361 D CB -0.634 40.309 40.800 0.238 0.000 0.973 361 D HN 0.492 nan 8.370 nan 0.000 0.460 362 T N 1.061 115.679 114.554 0.107 0.000 2.849 362 T HA -0.113 4.237 4.350 -0.000 0.000 0.230 362 T C 1.157 175.889 174.700 0.053 0.000 1.071 362 T CA 0.330 62.468 62.100 0.063 0.000 1.559 362 T CB -1.212 67.691 68.868 0.058 0.000 1.141 362 T HN 0.246 nan 8.240 nan 0.000 0.417 363 N N 3.897 122.631 118.700 0.056 0.000 2.412 363 N HA 0.054 4.794 4.740 -0.000 0.000 0.279 363 N C -1.863 173.671 175.510 0.039 0.000 1.287 363 N CA -1.276 51.799 53.050 0.042 0.000 0.948 363 N CB 0.860 39.366 38.487 0.031 0.000 1.255 363 N HN 0.356 nan 8.380 nan 0.000 0.485 364 P HA -0.141 nan 4.420 nan 0.000 0.225 364 P C 0.777 178.093 177.300 0.027 0.000 1.148 364 P CA 0.718 63.828 63.100 0.015 0.000 0.779 364 P CB 0.399 32.097 31.700 -0.003 0.000 0.780 365 D N 0.046 120.456 120.400 0.018 0.000 2.149 365 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 365 D C 1.869 178.170 176.300 0.002 0.000 0.990 365 D CA 0.754 54.761 54.000 0.010 0.000 0.839 365 D CB -0.705 40.090 40.800 -0.008 0.000 0.948 365 D HN -0.011 nan 8.370 nan 0.000 0.460 366 L N 0.388 121.593 121.223 -0.030 0.000 2.017 366 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 366 L C 1.256 178.169 176.870 0.072 0.000 1.073 366 L CA 1.001 55.772 54.840 -0.114 0.000 0.745 366 L CB -0.912 41.038 42.059 -0.181 0.000 0.894 366 L HN -0.087 nan 8.230 nan 0.000 0.432 367 S N -1.684 114.117 115.700 0.169 0.000 2.576 367 S HA 0.172 4.642 4.470 -0.000 0.000 0.272 367 S C 1.022 175.726 174.600 0.173 0.000 1.352 367 S CA 0.681 59.026 58.200 0.242 0.000 1.021 367 S CB 0.300 63.604 63.200 0.174 0.000 0.887 367 S HN 0.632 nan 8.310 nan 0.000 0.542 368 T N 0.516 115.177 114.554 0.179 0.000 7.990 368 T HA -0.190 4.160 4.350 -0.000 0.000 0.305 368 T C 0.184 174.992 174.700 0.180 0.000 2.080 368 T CA 1.396 63.588 62.100 0.154 0.000 3.423 368 T CB -2.085 66.860 68.868 0.129 0.000 1.630 368 T HN 1.294 nan 8.240 nan 0.000 0.911 369 S N 2.671 118.503 115.700 0.219 0.000 2.439 369 S HA 0.574 5.044 4.470 -0.000 0.000 0.282 369 S C 0.416 175.110 174.600 0.157 0.000 1.170 369 S CA -0.285 58.044 58.200 0.214 0.000 1.054 369 S CB 1.105 64.499 63.200 0.323 0.000 0.956 369 S HN 1.119 nan 8.310 nan 0.000 0.490 370 V N 1.790 121.669 119.914 -0.058 0.000 2.446 370 V HA 0.433 4.553 4.120 -0.000 0.000 0.276 370 V C -2.118 173.860 176.094 -0.194 0.000 1.030 370 V CA -1.972 60.257 62.300 -0.117 0.000 1.033 370 V CB -0.336 31.399 31.823 -0.147 0.000 0.993 370 V HN 0.793 nan 8.190 nan 0.000 0.477 371 P HA 0.454 nan 4.420 nan 0.000 0.268 371 P C -0.376 176.790 177.300 -0.223 0.000 1.205 371 P CA 0.246 63.101 63.100 -0.407 0.000 0.771 371 P CB 1.390 32.855 31.700 -0.392 0.000 0.858 372 A N 3.391 126.096 122.820 -0.192 0.000 2.555 372 A HA 0.434 4.754 4.320 -0.000 0.000 0.297 372 A C -1.359 176.198 177.584 -0.044 0.000 1.060 372 A CA -0.648 51.316 52.037 -0.121 0.000 0.710 372 A CB 0.632 19.486 19.000 -0.242 0.000 1.282 372 A HN 0.406 nan 8.150 nan 0.000 0.399 373 F N 3.030 122.924 119.950 -0.094 0.000 2.506 373 F HA 0.479 5.006 4.527 -0.000 0.000 0.371 373 F C 0.332 176.105 175.800 -0.044 0.000 1.078 373 F CA 0.484 58.455 58.000 -0.048 0.000 1.195 373 F CB 1.087 40.075 39.000 -0.020 0.000 1.099 373 F HN 0.795 nan 8.300 nan 0.000 0.548 374 V N 7.329 126.878 119.914 -0.608 0.000 2.638 374 V HA 0.587 4.707 4.120 -0.000 0.000 0.306 374 V C -1.244 174.590 176.094 -0.434 0.000 1.052 374 V CA -0.950 61.117 62.300 -0.390 0.000 0.885 374 V CB 1.569 33.264 31.823 -0.213 0.000 0.999 374 V HN 0.706 nan 8.190 nan 0.000 0.424 375 L N 5.796 126.882 121.223 -0.229 0.000 2.453 375 L HA 0.586 4.926 4.340 -0.000 0.000 0.261 375 L C -0.011 176.848 176.870 -0.020 0.000 1.179 375 L CA 0.292 55.066 54.840 -0.110 0.000 0.813 375 L CB 1.135 43.195 42.059 0.001 0.000 1.110 375 L HN 0.648 nan 8.230 nan 0.000 0.466 376 I N 2.239 122.851 120.570 0.070 0.000 2.540 376 I HA 0.213 4.383 4.170 -0.000 0.000 0.280 376 I C -0.668 175.575 176.117 0.211 0.000 1.083 376 I CA -0.456 60.933 61.300 0.148 0.000 1.080 376 I CB 1.539 39.678 38.000 0.231 0.000 1.205 376 I HN 0.557 nan 8.210 nan 0.000 0.459 377 Q N 5.776 125.660 119.800 0.141 0.000 2.294 377 Q HA 0.390 4.730 4.340 -0.000 0.000 0.257 377 Q C -0.536 175.580 176.000 0.195 0.000 0.955 377 Q CA -0.336 55.550 55.803 0.139 0.000 0.936 377 Q CB 1.130 29.918 28.738 0.084 0.000 1.188 377 Q HN 0.692 nan 8.270 nan 0.000 0.420 378 T N 0.737 115.462 114.554 0.285 0.000 2.895 378 T HA 0.381 4.731 4.350 -0.000 0.000 0.283 378 T C 0.661 175.520 174.700 0.265 0.000 1.014 378 T CA -0.744 61.522 62.100 0.276 0.000 1.037 378 T CB 1.832 70.913 68.868 0.356 0.000 1.006 378 T HN 0.510 nan 8.240 nan 0.000 0.468 379 S N 0.902 116.712 115.700 0.184 0.000 2.331 379 S HA 0.054 4.524 4.470 -0.000 0.000 0.208 379 S C 1.103 175.819 174.600 0.194 0.000 1.032 379 S CA 0.175 58.484 58.200 0.182 0.000 0.991 379 S CB -0.258 63.007 63.200 0.108 0.000 0.980 379 S HN 0.654 nan 8.310 nan 0.000 0.433 380 V N 4.563 124.514 119.914 0.061 0.000 2.843 380 V HA 0.124 4.244 4.120 -0.000 0.000 0.305 380 V C -2.259 173.646 176.094 -0.314 0.000 1.065 380 V CA -1.547 60.711 62.300 -0.071 0.000 1.116 380 V CB 0.350 32.144 31.823 -0.049 0.000 0.968 380 V HN 0.261 nan 8.190 nan 0.000 0.487 381 P HA 0.074 nan 4.420 nan 0.000 0.265 381 P C 0.212 177.268 177.300 -0.406 0.000 1.187 381 P CA 0.141 62.563 63.100 -1.130 0.000 0.766 381 P CB 0.410 31.575 31.700 -0.892 0.000 0.820 382 I N 2.112 122.527 120.570 -0.257 0.000 3.427 382 I HA -0.185 3.985 4.170 -0.000 0.000 0.272 382 I C 0.687 176.632 176.117 -0.288 0.000 1.285 382 I CA 0.390 61.471 61.300 -0.365 0.000 1.300 382 I CB 0.027 37.431 38.000 -0.994 0.000 1.378 382 I HN 0.535 nan 8.210 nan 0.000 0.634 383 Q N 2.181 121.824 119.800 -0.262 0.000 2.494 383 Q HA -0.303 4.037 4.340 -0.000 0.000 0.272 383 Q C 0.182 176.109 176.000 -0.121 0.000 1.145 383 Q CA 1.115 56.815 55.803 -0.173 0.000 0.943 383 Q CB -1.169 27.463 28.738 -0.177 0.000 1.338 383 Q HN 0.708 nan 8.270 nan 0.000 0.492 384 Q N -1.278 118.462 119.800 -0.100 0.000 1.321 384 Q HA 0.103 4.443 4.340 -0.000 0.000 0.129 384 Q C -1.067 174.903 176.000 -0.049 0.000 0.724 384 Q CA 0.459 56.215 55.803 -0.078 0.000 0.623 384 Q CB 0.779 29.452 28.738 -0.109 0.000 1.107 384 Q HN 0.284 nan 8.270 nan 0.000 0.324 385 V N 1.839 121.741 119.914 -0.019 0.000 2.339 385 V HA 0.351 4.471 4.120 -0.000 0.000 0.261 385 V C 0.535 176.650 176.094 0.036 0.000 1.058 385 V CA 0.780 63.101 62.300 0.035 0.000 0.897 385 V CB 1.017 32.922 31.823 0.137 0.000 1.052 385 V HN 0.424 nan 8.190 nan 0.000 0.480 386 T N 4.514 119.071 114.554 0.005 0.000 2.755 386 T HA 0.080 4.430 4.350 -0.000 0.000 0.251 386 T C 0.779 175.465 174.700 -0.024 0.000 1.044 386 T CA 1.469 63.564 62.100 -0.009 0.000 1.154 386 T CB -0.034 68.826 68.868 -0.013 0.000 0.866 386 T HN 0.881 nan 8.240 nan 0.000 0.416 387 T N -1.532 113.007 114.554 -0.024 0.000 2.916 387 T HA 0.748 5.098 4.350 -0.000 0.000 0.292 387 T C 1.366 176.044 174.700 -0.036 0.000 1.055 387 T CA -0.248 61.830 62.100 -0.037 0.000 1.009 387 T CB 1.741 70.590 68.868 -0.031 0.000 1.118 387 T HN 0.110 nan 8.240 nan 0.000 0.497 388 A N 1.617 124.407 122.820 -0.050 0.000 1.968 388 A HA -0.231 4.089 4.320 -0.000 0.000 0.227 388 A C 2.505 180.077 177.584 -0.020 0.000 1.381 388 A CA 3.144 55.155 52.037 -0.044 0.000 0.697 388 A CB -1.714 17.262 19.000 -0.041 0.000 0.836 388 A HN 1.721 nan 8.150 nan 0.000 0.497 389 A N -1.298 121.515 122.820 -0.011 0.000 2.178 389 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 389 A C 1.831 179.422 177.584 0.013 0.000 1.157 389 A CA 1.643 53.681 52.037 0.001 0.000 0.689 389 A CB -0.805 18.195 19.000 0.001 0.000 0.787 389 A HN 0.795 nan 8.150 nan 0.000 0.465 390 N N -0.699 118.008 118.700 0.012 0.000 2.290 390 N HA 0.088 4.828 4.740 -0.000 0.000 0.179 390 N C 0.001 175.545 175.510 0.055 0.000 1.016 390 N CA 0.031 53.100 53.050 0.031 0.000 0.871 390 N CB -0.030 38.472 38.487 0.025 0.000 0.987 390 N HN 0.419 nan 8.380 nan 0.000 0.431 391 I N 2.020 122.615 120.570 0.041 0.000 2.471 391 I HA -0.073 4.097 4.170 -0.000 0.000 0.294 391 I C 1.288 177.442 176.117 0.062 0.000 1.123 391 I CA -0.194 61.143 61.300 0.061 0.000 1.336 391 I CB 0.876 38.883 38.000 0.011 0.000 1.430 391 I HN 0.167 nan 8.210 nan 0.000 0.533 392 T N 5.083 119.689 114.554 0.086 0.000 2.505 392 T HA -0.183 4.167 4.350 -0.000 0.000 0.259 392 T C 0.751 175.485 174.700 0.057 0.000 1.158 392 T CA 1.862 64.005 62.100 0.072 0.000 1.190 392 T CB 0.066 68.984 68.868 0.084 0.000 0.864 392 T HN 0.768 nan 8.240 nan 0.000 0.413 393 A N -0.646 122.212 122.820 0.063 0.000 2.583 393 A HA 0.766 5.086 4.320 -0.000 0.000 0.289 393 A C -1.696 175.920 177.584 0.054 0.000 1.151 393 A CA -0.758 51.311 52.037 0.053 0.000 0.695 393 A CB 1.361 20.391 19.000 0.050 0.000 1.290 393 A HN 0.370 nan 8.150 nan 0.000 0.419 394 I N 1.019 121.616 120.570 0.045 0.000 2.529 394 I HA 0.307 4.477 4.170 -0.000 0.000 0.284 394 I C -0.759 175.380 176.117 0.036 0.000 1.088 394 I CA -0.173 61.148 61.300 0.034 0.000 1.062 394 I CB 2.362 40.372 38.000 0.017 0.000 1.218 394 I HN 0.563 nan 8.210 nan 0.000 0.442 395 T N 5.331 119.902 114.554 0.027 0.000 2.767 395 T HA 0.291 4.641 4.350 -0.000 0.000 0.284 395 T C 0.124 174.822 174.700 -0.002 0.000 0.973 395 T CA -0.372 61.750 62.100 0.038 0.000 0.996 395 T CB 1.888 70.788 68.868 0.054 0.000 0.927 395 T HN 0.178 nan 8.240 nan 0.000 0.456 396 V N 5.089 125.001 119.914 -0.003 0.000 2.287 396 V HA 0.055 4.175 4.120 -0.000 0.000 0.246 396 V C 1.523 177.605 176.094 -0.019 0.000 1.165 396 V CA 0.114 62.348 62.300 -0.110 0.000 1.088 396 V CB 0.463 32.067 31.823 -0.364 0.000 1.242 396 V HN 0.823 nan 8.190 nan 0.000 0.497 397 V N 3.756 123.688 119.914 0.029 0.000 3.078 397 V HA 0.020 4.140 4.120 -0.000 0.000 0.265 397 V C 1.042 177.216 176.094 0.133 0.000 1.122 397 V CA 1.853 64.225 62.300 0.120 0.000 1.141 397 V CB 0.440 32.394 31.823 0.218 0.000 0.735 397 V HN 0.840 nan 8.190 nan 0.000 0.498 398 S N -0.845 114.907 115.700 0.087 0.000 2.240 398 S HA 0.584 5.054 4.470 -0.000 0.000 0.234 398 S C -0.502 174.101 174.600 0.005 0.000 0.850 398 S CA -0.102 58.144 58.200 0.078 0.000 1.015 398 S CB 0.121 63.395 63.200 0.124 0.000 1.268 398 S HN 0.761 nan 8.310 nan 0.000 0.384 399 A N 3.004 125.782 122.820 -0.070 0.000 2.252 399 A HA 0.937 5.257 4.320 -0.000 0.000 0.305 399 A C 0.426 177.994 177.584 -0.027 0.000 1.097 399 A CA -0.139 51.810 52.037 -0.147 0.000 0.849 399 A CB 0.834 19.604 19.000 -0.385 0.000 1.142 399 A HN 1.580 nan 8.150 nan 0.000 0.499 400 A N 0.478 123.269 122.820 -0.048 0.000 2.256 400 A HA 0.603 4.923 4.320 -0.000 0.000 0.317 400 A C 0.622 178.209 177.584 0.004 0.000 1.318 400 A CA 0.044 52.070 52.037 -0.019 0.000 0.894 400 A CB -0.150 18.821 19.000 -0.048 0.000 1.165 400 A HN 1.705 nan 8.150 nan 0.000 0.525 401 G N 1.479 110.300 108.800 0.035 0.000 2.353 401 G HA2 0.601 4.561 3.960 -0.000 0.000 0.239 401 G HA3 0.601 4.561 3.960 -0.000 0.000 0.239 401 G C 0.538 175.449 174.900 0.019 0.000 1.295 401 G CA 0.728 45.858 45.100 0.050 0.000 0.884 401 G HN 2.531 nan 8.290 nan 0.000 0.537 402 A N 1.192 124.032 122.820 0.032 0.000 2.435 402 A HA 0.290 4.610 4.320 -0.000 0.000 0.686 402 A C 0.781 178.369 177.584 0.007 0.000 0.138 402 A CA 0.218 52.268 52.037 0.021 0.000 0.025 402 A CB -1.665 17.335 19.000 0.001 0.000 3.974 402 A HN 2.614 nan 8.150 nan 0.000 0.548 403 S N 1.653 117.377 115.700 0.040 0.000 2.611 403 S HA 0.524 4.994 4.470 -0.000 0.000 0.252 403 S C 0.946 175.575 174.600 0.049 0.000 1.369 403 S CA 0.220 58.458 58.200 0.062 0.000 0.975 403 S CB 0.709 63.971 63.200 0.104 0.000 0.937 403 S HN 2.406 nan 8.310 nan 0.000 0.584 404 A N 0.514 123.411 122.820 0.129 0.000 3.056 404 A HA 0.617 4.937 4.320 -0.000 0.000 0.274 404 A C 0.295 178.041 177.584 0.269 0.000 1.661 404 A CA -0.485 51.644 52.037 0.154 0.000 1.363 404 A CB -1.398 17.854 19.000 0.421 0.000 1.139 404 A HN 1.114 nan 8.150 nan 0.000 0.598 405 I N 0.080 120.763 120.570 0.189 0.000 2.481 405 I HA 0.073 4.243 4.170 -0.000 0.000 0.304 405 I C -0.051 176.149 176.117 0.138 0.000 1.368 405 I CA 0.271 61.757 61.300 0.308 0.000 0.671 405 I CB -0.566 37.572 38.000 0.231 0.000 2.647 405 I HN 0.667 nan 8.210 nan 0.000 0.786 406 N N -0.577 118.144 118.700 0.034 0.000 1.895 406 N HA 0.069 4.809 4.740 -0.000 0.000 0.243 406 N C 0.594 176.056 175.510 -0.081 0.000 1.350 406 N CA 0.075 53.119 53.050 -0.009 0.000 0.789 406 N CB 0.518 39.001 38.487 -0.005 0.000 1.195 406 N HN 0.134 nan 8.380 nan 0.000 0.489 407 L N 1.707 122.825 121.223 -0.175 0.000 2.529 407 L HA 0.428 4.768 4.340 -0.000 0.000 0.223 407 L C 1.260 177.894 176.870 -0.393 0.000 1.113 407 L CA 0.467 55.106 54.840 -0.336 0.000 0.861 407 L CB -0.548 41.162 42.059 -0.582 0.000 1.012 407 L HN 0.134 nan 8.230 nan 0.000 0.461 408 A N 0.092 122.748 122.820 -0.274 0.000 2.251 408 A HA 0.609 4.929 4.320 -0.000 0.000 0.278 408 A C -0.069 177.464 177.584 -0.085 0.000 1.206 408 A CA -0.112 51.793 52.037 -0.221 0.000 0.822 408 A CB 0.568 19.409 19.000 -0.266 0.000 1.187 408 A HN 0.151 nan 8.150 nan 0.000 0.504 409 I N -0.210 120.336 120.570 -0.039 0.000 2.785 409 I HA 0.120 4.290 4.170 -0.000 0.000 0.277 409 I C -1.271 174.862 176.117 0.026 0.000 1.591 409 I CA -0.405 60.900 61.300 0.008 0.000 1.150 409 I CB 0.679 38.682 38.000 0.004 0.000 1.550 409 I HN 0.805 nan 8.210 nan 0.000 0.414 410 N N 5.606 124.337 118.700 0.052 0.000 2.452 410 N HA 0.319 5.059 4.740 -0.000 0.000 0.266 410 N C -0.373 175.164 175.510 0.045 0.000 1.209 410 N CA 0.044 53.130 53.050 0.060 0.000 0.929 410 N CB 1.008 39.541 38.487 0.077 0.000 1.063 410 N HN 0.401 nan 8.380 nan 0.000 0.472 411 V N 4.812 124.752 119.914 0.043 0.000 2.759 411 V HA 0.359 4.479 4.120 -0.000 0.000 0.342 411 V C -0.115 176.001 176.094 0.037 0.000 1.228 411 V CA -0.381 61.941 62.300 0.037 0.000 1.302 411 V CB -1.068 30.777 31.823 0.037 0.000 1.496 411 V HN 0.903 nan 8.190 nan 0.000 0.628 412 R N 0.568 121.092 120.500 0.039 0.000 2.591 412 R HA -0.067 4.273 4.340 -0.000 0.000 0.306 412 R C 1.053 177.378 176.300 0.042 0.000 1.014 412 R CA 0.272 56.394 56.100 0.036 0.000 0.616 412 R CB -1.460 28.858 30.300 0.030 0.000 1.598 412 R HN 0.950 nan 8.270 nan 0.000 0.400 413 G N 0.826 109.657 108.800 0.051 0.000 5.229 413 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.250 413 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.250 413 G C 0.203 175.148 174.900 0.075 0.000 1.380 413 G CA 0.449 45.586 45.100 0.060 0.000 0.933 413 G HN 0.453 nan 8.290 nan 0.000 0.731 414 Q N 3.267 123.103 119.800 0.061 0.000 2.364 414 Q HA 0.246 4.586 4.340 -0.000 0.000 0.263 414 Q C -2.086 173.943 176.000 0.049 0.000 1.276 414 Q CA -0.765 55.072 55.803 0.057 0.000 0.923 414 Q CB 0.402 29.167 28.738 0.045 0.000 1.477 414 Q HN 0.443 nan 8.270 nan 0.000 0.484 415 P HA -0.018 nan 4.420 nan 0.000 0.267 415 P C -0.455 176.842 177.300 -0.005 0.000 1.209 415 P CA 0.244 63.334 63.100 -0.016 0.000 0.763 415 P CB 0.763 32.369 31.700 -0.157 0.000 0.816 416 R N 2.691 123.215 120.500 0.041 0.000 2.602 416 R HA 0.483 4.823 4.340 -0.000 0.000 0.237 416 R C 0.096 176.529 176.300 0.222 0.000 1.219 416 R CA -0.849 55.324 56.100 0.122 0.000 1.121 416 R CB 0.187 30.544 30.300 0.094 0.000 1.408 416 R HN 0.425 nan 8.270 nan 0.000 0.559 417 F N 0.785 120.716 119.950 -0.031 0.000 2.404 417 F HA 0.264 4.791 4.527 -0.000 0.000 0.354 417 F C 0.885 176.676 175.800 -0.015 0.000 1.122 417 F CA -0.442 57.541 58.000 -0.029 0.000 1.080 417 F CB 1.000 39.988 39.000 -0.020 0.000 1.131 417 F HN 0.264 nan 8.300 nan 0.000 0.471 418 N N 5.278 123.969 118.700 -0.015 0.000 2.414 418 N HA -0.028 4.712 4.740 -0.000 0.000 0.268 418 N C 0.241 175.771 175.510 0.033 0.000 1.286 418 N CA -0.273 52.770 53.050 -0.010 0.000 0.896 418 N CB 0.442 38.888 38.487 -0.068 0.000 1.093 418 N HN 0.527 nan 8.380 nan 0.000 0.480 419 M N 4.911 124.546 119.600 0.058 0.000 2.563 419 M HA -0.110 4.370 4.480 -0.000 0.000 0.423 419 M C -1.026 175.292 176.300 0.029 0.000 1.706 419 M CA 1.008 56.354 55.300 0.076 0.000 1.001 419 M CB -0.953 31.676 32.600 0.048 0.000 2.123 419 M HN 0.463 nan 8.290 nan 0.000 0.494 420 L N 3.947 125.232 121.223 0.102 0.000 2.409 420 L HA 0.605 4.945 4.340 -0.000 0.000 0.262 420 L C -1.412 175.602 176.870 0.241 0.000 0.992 420 L CA -0.673 54.199 54.840 0.054 0.000 0.817 420 L CB 2.115 44.189 42.059 0.025 0.000 1.350 420 L HN 0.505 nan 8.230 nan 0.000 0.411 421 H N 3.364 122.434 119.070 -0.000 0.000 2.638 421 H HA 0.557 5.113 4.556 -0.000 0.000 0.303 421 H C -0.718 174.597 175.328 -0.021 0.000 1.034 421 H CA -0.969 55.071 56.048 -0.014 0.000 1.225 421 H CB 1.206 30.952 29.762 -0.026 0.000 1.394 421 H HN 0.510 nan 8.280 nan 0.000 0.477 422 L N 2.658 123.934 121.223 0.089 0.000 2.475 422 L HA 0.281 4.621 4.340 -0.000 0.000 0.253 422 L C 0.152 177.006 176.870 -0.027 0.000 1.198 422 L CA -0.477 54.389 54.840 0.042 0.000 0.814 422 L CB 0.302 42.396 42.059 0.059 0.000 1.134 422 L HN 0.684 nan 8.230 nan 0.000 0.478 423 Q N 0.307 120.084 119.800 -0.039 0.000 2.613 423 Q HA 0.606 4.946 4.340 -0.000 0.000 0.231 423 Q C -1.781 174.181 176.000 -0.064 0.000 0.879 423 Q CA -0.623 55.107 55.803 -0.121 0.000 1.083 423 Q CB 0.875 29.576 28.738 -0.061 0.000 1.588 423 Q HN 0.754 nan 8.270 nan 0.000 0.500 424 A N 1.748 124.492 122.820 -0.126 0.000 2.257 424 A HA 0.867 5.187 4.320 -0.000 0.000 0.290 424 A C 0.050 177.649 177.584 0.026 0.000 1.201 424 A CA -0.240 51.821 52.037 0.040 0.000 0.863 424 A CB 1.185 20.306 19.000 0.203 0.000 1.256 424 A HN 0.719 nan 8.150 nan 0.000 0.506 425 T N 0.610 115.215 114.554 0.086 0.000 3.816 425 T HA 0.228 4.578 4.350 -0.000 0.000 0.232 425 T C -0.542 174.210 174.700 0.087 0.000 1.125 425 T CA -0.219 61.917 62.100 0.059 0.000 1.609 425 T CB -0.671 68.210 68.868 0.022 0.000 0.805 425 T HN 0.500 nan 8.240 nan 0.000 0.647 426 F N 3.195 123.161 119.950 0.027 0.000 2.635 426 F HA 0.209 4.736 4.527 -0.000 0.000 0.379 426 F C 0.182 175.993 175.800 0.018 0.000 1.094 426 F CA 0.254 58.279 58.000 0.041 0.000 1.300 426 F CB 0.560 39.594 39.000 0.056 0.000 1.035 426 F HN 0.152 nan 8.300 nan 0.000 0.581 427 E N 6.771 126.281 120.200 -1.149 0.000 2.255 427 E HA 0.197 4.547 4.350 -0.000 0.000 0.256 427 E C 0.838 176.850 176.600 -0.980 0.000 0.887 427 E CA -0.606 55.295 56.400 -0.832 0.000 0.782 427 E CB 1.525 31.003 29.700 -0.371 0.000 1.214 427 E HN 0.705 nan 8.360 nan 0.000 0.417 428 R N 1.841 121.908 120.500 -0.722 0.000 2.327 428 R HA -0.312 4.028 4.340 -0.000 0.000 0.239 428 R C 1.599 177.785 176.300 -0.190 0.000 1.085 428 R CA 2.796 58.716 56.100 -0.300 0.000 0.890 428 R CB -0.263 29.969 30.300 -0.114 0.000 0.983 428 R HN 0.699 nan 8.270 nan 0.000 0.419 429 E N -0.057 120.040 120.200 -0.172 0.000 2.299 429 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 429 E C 1.493 178.042 176.600 -0.085 0.000 0.998 429 E CA 1.346 57.690 56.400 -0.093 0.000 0.851 429 E CB -0.227 29.431 29.700 -0.071 0.000 0.795 429 E HN 0.489 nan 8.360 nan 0.000 0.492 430 T N -0.439 114.033 114.554 -0.137 0.000 2.946 430 T HA -0.074 4.276 4.350 -0.000 0.000 0.271 430 T C 1.522 176.223 174.700 0.002 0.000 1.104 430 T CA 0.718 62.777 62.100 -0.068 0.000 1.114 430 T CB -0.330 68.487 68.868 -0.084 0.000 0.867 430 T HN 0.228 nan 8.240 nan 0.000 0.513 431 I N 2.077 122.667 120.570 0.032 0.000 3.731 431 I HA 0.142 4.312 4.170 -0.000 0.000 0.341 431 I C -0.024 176.112 176.117 0.032 0.000 1.532 431 I CA -0.422 60.932 61.300 0.090 0.000 1.163 431 I CB -0.106 38.033 38.000 0.233 0.000 1.339 431 I HN 0.164 nan 8.210 nan 0.000 0.449 432 T N 0.700 115.255 114.554 0.002 0.000 2.930 432 T HA 0.301 4.651 4.350 -0.000 0.000 0.306 432 T C 1.300 175.986 174.700 -0.022 0.000 1.045 432 T CA 0.800 62.893 62.100 -0.012 0.000 1.134 432 T CB 1.420 70.278 68.868 -0.016 0.000 0.961 432 T HN 0.691 nan 8.240 nan 0.000 0.545 433 G N 2.981 111.760 108.800 -0.035 0.000 4.754 433 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.222 433 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.222 433 G C 0.510 175.358 174.900 -0.087 0.000 1.377 433 G CA 0.004 45.074 45.100 -0.051 0.000 0.942 433 G HN 0.814 nan 8.290 nan 0.000 0.671 434 I N 3.767 124.293 120.570 -0.073 0.000 3.683 434 I HA -0.100 4.070 4.170 -0.000 0.000 0.302 434 I C -0.549 175.441 176.117 -0.212 0.000 1.225 434 I CA 0.328 61.568 61.300 -0.101 0.000 1.536 434 I CB 0.035 38.005 38.000 -0.049 0.000 1.561 434 I HN 0.211 nan 8.210 nan 0.000 0.666 435 P HA -0.145 nan 4.420 nan 0.000 0.215 435 P C -0.544 176.163 177.300 -0.990 0.000 1.153 435 P CA 1.594 64.233 63.100 -0.769 0.000 0.853 435 P CB 0.121 31.166 31.700 -1.093 0.000 0.788 436 Y N -1.085 119.175 120.300 -0.066 0.000 2.338 436 Y HA 0.664 5.214 4.550 -0.000 0.000 0.333 436 Y C 0.039 175.776 175.900 -0.271 0.000 0.968 436 Y CA -1.233 56.772 58.100 -0.158 0.000 1.123 436 Y CB 1.514 40.010 38.460 0.060 0.000 1.165 436 Y HN -0.224 nan 8.280 nan 0.000 0.452 437 I N 3.315 123.529 120.570 -0.592 0.000 2.753 437 I HA 0.521 4.691 4.170 -0.000 0.000 0.291 437 I C -2.226 173.348 176.117 -0.906 0.000 1.425 437 I CA -0.707 60.316 61.300 -0.462 0.000 1.039 437 I CB 1.853 39.746 38.000 -0.179 0.000 1.349 437 I HN 0.591 nan 8.210 nan 0.000 0.430 438 Y N 4.518 124.834 120.300 0.028 0.000 2.492 438 Y HA 0.669 5.219 4.550 -0.000 0.000 0.346 438 Y C 0.464 176.342 175.900 -0.037 0.000 0.997 438 Y CA -0.970 57.121 58.100 -0.016 0.000 1.025 438 Y CB 2.118 40.552 38.460 -0.044 0.000 1.263 438 Y HN 0.559 nan 8.280 nan 0.000 0.454 439 G N 2.827 111.683 108.800 0.092 0.000 2.353 439 G HA2 0.546 4.506 3.960 -0.000 0.000 0.284 439 G HA3 0.546 4.506 3.960 -0.000 0.000 0.284 439 G C -1.411 173.431 174.900 -0.096 0.000 1.172 439 G CA -0.491 44.582 45.100 -0.046 0.000 0.854 439 G HN 0.624 nan 8.290 nan 0.000 0.485 440 L N 2.725 123.670 121.223 -0.463 0.000 2.439 440 L HA 0.581 4.921 4.340 -0.000 0.000 0.270 440 L C 0.392 177.070 176.870 -0.320 0.000 0.972 440 L CA -0.966 53.757 54.840 -0.195 0.000 0.836 440 L CB 2.039 44.075 42.059 -0.039 0.000 1.255 440 L HN 0.629 nan 8.230 nan 0.000 0.404 441 G N 2.230 111.055 108.800 0.042 0.000 3.161 441 G HA2 0.282 4.242 3.960 -0.000 0.000 0.293 441 G HA3 0.282 4.242 3.960 -0.000 0.000 0.293 441 G C 0.100 175.016 174.900 0.027 0.000 0.893 441 G CA -0.001 45.198 45.100 0.165 0.000 1.756 441 G HN 0.585 nan 8.290 nan 0.000 0.549 442 T N 0.274 114.810 114.554 -0.031 0.000 3.204 442 T HA 0.446 4.796 4.350 -0.000 0.000 0.312 442 T C 0.718 175.425 174.700 0.013 0.000 1.254 442 T CA -0.216 61.894 62.100 0.017 0.000 0.913 442 T CB 0.628 69.501 68.868 0.009 0.000 2.143 442 T HN 0.147 nan 8.240 nan 0.000 0.569 443 F N -0.628 119.297 119.950 -0.041 0.000 2.619 443 F HA 0.529 5.056 4.527 -0.000 0.000 0.281 443 F C 0.424 176.183 175.800 -0.069 0.000 1.065 443 F CA -0.201 57.785 58.000 -0.024 0.000 1.304 443 F CB 0.445 39.447 39.000 0.004 0.000 1.059 443 F HN 0.335 nan 8.300 nan 0.000 0.648 444 L N 2.228 123.521 121.223 0.117 0.000 3.523 444 L HA -0.217 4.123 4.340 -0.000 0.000 0.668 444 L C -0.895 176.027 176.870 0.087 0.000 1.211 444 L CA -0.116 54.733 54.840 0.015 0.000 1.096 444 L CB -1.519 40.394 42.059 -0.242 0.000 1.617 444 L HN 0.025 nan 8.230 nan 0.000 0.873 445 I N 3.490 124.165 120.570 0.174 0.000 2.556 445 I HA 0.087 4.257 4.170 -0.000 0.000 0.284 445 I C -0.625 175.669 176.117 0.296 0.000 1.114 445 I CA -1.438 59.976 61.300 0.190 0.000 1.418 445 I CB 0.697 38.756 38.000 0.098 0.000 1.394 445 I HN 0.168 nan 8.210 nan 0.000 0.552 446 P HA -0.039 nan 4.420 nan 0.000 0.245 446 P C -0.213 177.178 177.300 0.152 0.000 1.212 446 P CA 0.532 63.854 63.100 0.371 0.000 0.774 446 P CB 0.240 32.149 31.700 0.348 0.000 0.999 447 S N -1.414 114.356 115.700 0.117 0.000 2.305 447 S HA 0.246 4.715 4.470 -0.000 0.000 0.208 447 S C -3.201 171.422 174.600 0.038 0.000 0.797 447 S CA -1.219 57.016 58.200 0.059 0.000 1.007 447 S CB 0.192 63.419 63.200 0.045 0.000 1.334 447 S HN -0.088 nan 8.310 nan 0.000 0.380 448 P HA 0.320 nan 4.420 nan 0.000 0.265 448 P C -0.312 176.980 177.300 -0.013 0.000 1.193 448 P CA 0.468 63.566 63.100 -0.003 0.000 0.765 448 P CB 0.795 32.486 31.700 -0.014 0.000 0.823 449 T N 1.120 115.660 114.554 -0.023 0.000 2.804 449 T HA 0.216 4.566 4.350 -0.000 0.000 0.290 449 T C 1.414 176.093 174.700 -0.036 0.000 1.099 449 T CA -0.378 61.711 62.100 -0.020 0.000 1.011 449 T CB 1.022 69.888 68.868 -0.003 0.000 1.291 449 T HN 0.151 nan 8.240 nan 0.000 0.523 450 S N 1.201 116.890 115.700 -0.019 0.000 2.399 450 S HA -0.128 4.342 4.470 -0.000 0.000 0.231 450 S C 2.361 176.975 174.600 0.024 0.000 1.022 450 S CA 1.527 59.718 58.200 -0.015 0.000 0.983 450 S CB -0.423 62.791 63.200 0.023 0.000 0.803 450 S HN 0.813 nan 8.310 nan 0.000 0.480 451 S N 1.553 117.277 115.700 0.041 0.000 2.368 451 S HA -0.019 4.451 4.470 -0.000 0.000 0.225 451 S C 1.272 175.915 174.600 0.071 0.000 1.030 451 S CA 0.871 59.118 58.200 0.079 0.000 0.999 451 S CB -0.408 62.821 63.200 0.048 0.000 0.844 451 S HN 0.275 nan 8.310 nan 0.000 0.459 452 S N 2.441 118.136 115.700 -0.008 0.000 3.513 452 S HA 0.350 4.820 4.470 -0.000 0.000 0.209 452 S C 0.447 174.963 174.600 -0.140 0.000 1.446 452 S CA -0.548 57.622 58.200 -0.050 0.000 1.150 452 S CB -0.463 62.693 63.200 -0.072 0.000 1.266 452 S HN 0.426 nan 8.310 nan 0.000 0.502 453 N N 0.416 118.962 118.700 -0.257 0.000 2.197 453 N HA 0.210 4.950 4.740 -0.000 0.000 0.201 453 N C -0.379 174.532 175.510 -0.999 0.000 1.148 453 N CA 0.450 53.096 53.050 -0.673 0.000 0.883 453 N CB 0.429 38.359 38.487 -0.928 0.000 1.012 453 N HN 0.431 nan 8.380 nan 0.000 0.507 454 F N -1.216 118.718 119.950 -0.027 0.000 2.936 454 F HA 0.393 4.920 4.527 -0.000 0.000 0.334 454 F C 1.652 177.436 175.800 -0.027 0.000 1.170 454 F CA -0.342 57.645 58.000 -0.023 0.000 1.104 454 F CB 0.152 39.142 39.000 -0.016 0.000 1.216 454 F HN -0.213 nan 8.300 nan 0.000 0.518 455 S N 0.127 115.872 115.700 0.075 0.000 2.327 455 S HA -0.063 4.407 4.470 -0.000 0.000 0.213 455 S C 0.457 175.051 174.600 -0.011 0.000 1.032 455 S CA 0.788 59.002 58.200 0.023 0.000 0.960 455 S CB -0.393 62.784 63.200 -0.038 0.000 0.900 455 S HN 0.534 nan 8.310 nan 0.000 0.469 456 N N 0.921 119.595 118.700 -0.043 0.000 2.469 456 N HA -0.090 4.650 4.740 -0.000 0.000 0.283 456 N C -2.856 172.637 175.510 -0.028 0.000 1.326 456 N CA 0.187 53.216 53.050 -0.035 0.000 0.646 456 N CB 0.110 38.589 38.487 -0.012 0.000 0.894 456 N HN 0.168 nan 8.380 nan 0.000 0.533 457 P HA -0.021 nan 4.420 nan 0.000 0.269 457 P C 0.084 177.520 177.300 0.226 0.000 1.461 457 P CA 0.375 63.513 63.100 0.062 0.000 0.809 457 P CB 0.007 31.730 31.700 0.038 0.000 1.503 458 T N 0.887 115.491 114.554 0.084 0.000 2.784 458 T HA 0.103 4.453 4.350 -0.000 0.000 0.291 458 T C 1.082 175.796 174.700 0.023 0.000 0.942 458 T CA -0.192 61.935 62.100 0.046 0.000 1.161 458 T CB -0.308 68.553 68.868 -0.011 0.000 0.885 458 T HN 0.031 nan 8.240 nan 0.000 0.534 459 L N 5.630 126.858 121.223 0.009 0.000 2.627 459 L HA 0.090 4.430 4.340 -0.000 0.000 0.232 459 L C 2.022 178.837 176.870 -0.092 0.000 1.150 459 L CA -0.225 54.563 54.840 -0.087 0.000 0.917 459 L CB -0.234 41.727 42.059 -0.165 0.000 1.104 459 L HN 0.674 nan 8.230 nan 0.000 0.445 460 M N -0.048 119.509 119.600 -0.073 0.000 2.460 460 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 460 M C 1.705 177.893 176.300 -0.187 0.000 1.071 460 M CA 1.048 56.300 55.300 -0.080 0.000 1.096 460 M CB -0.899 31.658 32.600 -0.072 0.000 1.408 460 M HN 0.343 nan 8.290 nan 0.000 0.463 461 D N -0.042 120.194 120.400 -0.274 0.000 2.351 461 D HA -0.046 4.594 4.640 -0.000 0.000 0.216 461 D C 0.977 177.179 176.300 -0.162 0.000 0.968 461 D CA 0.535 54.308 54.000 -0.378 0.000 0.899 461 D CB -0.639 39.980 40.800 -0.303 0.000 0.907 461 D HN 0.258 nan 8.370 nan 0.000 0.514 462 G N 0.296 109.024 108.800 -0.119 0.000 2.572 462 G HA2 0.332 4.292 3.960 -0.000 0.000 0.261 462 G HA3 0.332 4.292 3.960 -0.000 0.000 0.261 462 G C -0.384 174.500 174.900 -0.026 0.000 1.197 462 G CA -0.813 44.247 45.100 -0.066 0.000 0.870 462 G HN 0.331 nan 8.290 nan 0.000 0.548 463 L N 1.694 122.905 121.223 -0.019 0.000 2.404 463 L HA 0.311 4.651 4.340 -0.000 0.000 0.277 463 L C 0.210 177.038 176.870 -0.070 0.000 1.184 463 L CA -0.827 54.003 54.840 -0.016 0.000 1.013 463 L CB -0.095 41.952 42.059 -0.020 0.000 1.318 463 L HN 0.438 nan 8.230 nan 0.000 0.435 464 L N 4.357 125.567 121.223 -0.022 0.000 2.416 464 L HA 0.326 4.666 4.340 -0.000 0.000 0.272 464 L C -0.239 176.546 176.870 -0.142 0.000 1.161 464 L CA 0.759 55.565 54.840 -0.056 0.000 0.845 464 L CB 1.205 43.308 42.059 0.073 0.000 1.119 464 L HN 0.442 nan 8.230 nan 0.000 0.464 465 T N 5.463 119.893 114.554 -0.207 0.000 3.064 465 T HA 0.289 4.639 4.350 -0.000 0.000 0.367 465 T C -0.530 174.031 174.700 -0.231 0.000 1.202 465 T CA -0.299 61.642 62.100 -0.265 0.000 1.133 465 T CB 0.719 69.448 68.868 -0.232 0.000 1.074 465 T HN 0.655 nan 8.240 nan 0.000 0.519 466 V N 4.198 123.960 119.914 -0.254 0.000 2.614 466 V HA 0.696 4.816 4.120 -0.000 0.000 0.291 466 V C 0.039 176.029 176.094 -0.172 0.000 1.049 466 V CA 0.077 62.269 62.300 -0.182 0.000 1.038 466 V CB 0.882 32.605 31.823 -0.165 0.000 0.980 466 V HN 0.932 nan 8.190 nan 0.000 0.481 467 T N 5.820 120.304 114.554 -0.116 0.000 2.963 467 T HA 0.490 4.840 4.350 -0.000 0.000 0.328 467 T C -2.678 171.986 174.700 -0.061 0.000 1.048 467 T CA -1.732 60.313 62.100 -0.091 0.000 1.033 467 T CB 1.208 70.029 68.868 -0.078 0.000 1.010 467 T HN 0.720 nan 8.240 nan 0.000 0.469 468 P HA 0.004 nan 4.420 nan 0.000 0.256 468 P C 0.161 177.445 177.300 -0.027 0.000 1.173 468 P CA -0.046 63.033 63.100 -0.036 0.000 0.768 468 P CB 0.800 32.475 31.700 -0.040 0.000 0.758 469 V N 7.142 127.045 119.914 -0.018 0.000 2.219 469 V HA 0.320 4.440 4.120 -0.000 0.000 0.267 469 V C -0.238 175.844 176.094 -0.020 0.000 1.266 469 V CA -0.268 62.020 62.300 -0.020 0.000 1.270 469 V CB -0.836 30.974 31.823 -0.021 0.000 1.356 469 V HN 0.515 nan 8.190 nan 0.000 0.490 470 L N 5.275 126.489 121.223 -0.016 0.000 4.450 470 L HA 0.027 4.367 4.340 -0.000 0.000 0.217 470 L C 0.378 177.242 176.870 -0.009 0.000 1.090 470 L CA -0.095 54.736 54.840 -0.014 0.000 1.395 470 L CB 0.165 42.212 42.059 -0.019 0.000 1.704 470 L HN 0.302 nan 8.230 nan 0.000 0.713 471 L N 1.641 122.860 121.223 -0.007 0.000 2.021 471 L HA -0.259 4.081 4.340 -0.000 0.000 0.215 471 L C 2.578 179.450 176.870 0.002 0.000 1.074 471 L CA 2.720 57.558 54.840 -0.003 0.000 0.760 471 L CB -0.705 41.355 42.059 0.003 0.000 0.889 471 L HN 0.708 nan 8.230 nan 0.000 0.433 472 R N 0.572 121.076 120.500 0.005 0.000 2.153 472 R HA -0.171 4.169 4.340 -0.000 0.000 0.252 472 R C 0.469 176.775 176.300 0.011 0.000 1.158 472 R CA 1.159 57.265 56.100 0.011 0.000 0.975 472 R CB -0.640 29.664 30.300 0.008 0.000 0.871 472 R HN 0.459 nan 8.270 nan 0.000 0.450 473 E N 1.317 121.520 120.200 0.006 0.000 2.146 473 E HA 0.140 4.489 4.350 -0.000 0.000 0.282 473 E C -0.715 175.888 176.600 0.004 0.000 0.989 473 E CA -0.267 56.139 56.400 0.010 0.000 0.799 473 E CB 1.881 31.590 29.700 0.013 0.000 1.088 473 E HN 0.092 nan 8.360 nan 0.000 0.397 474 T N 1.489 116.044 114.554 0.002 0.000 2.893 474 T HA 0.438 4.788 4.350 -0.000 0.000 0.279 474 T C -0.479 174.235 174.700 0.023 0.000 0.991 474 T CA -0.215 61.878 62.100 -0.012 0.000 0.950 474 T CB 1.398 70.234 68.868 -0.053 0.000 1.223 474 T HN 0.321 nan 8.240 nan 0.000 0.585 475 T N 1.744 116.321 114.554 0.038 0.000 2.916 475 T HA 0.558 4.908 4.350 -0.000 0.000 0.298 475 T C -2.091 172.725 174.700 0.193 0.000 1.031 475 T CA -0.335 61.819 62.100 0.090 0.000 0.993 475 T CB 1.068 69.972 68.868 0.061 0.000 1.045 475 T HN 0.491 nan 8.240 nan 0.000 0.454 476 Y N 2.736 123.045 120.300 0.016 0.000 2.361 476 Y HA 0.367 4.917 4.550 -0.000 0.000 0.328 476 Y C 0.117 176.039 175.900 0.036 0.000 1.044 476 Y CA -1.397 56.715 58.100 0.020 0.000 1.085 476 Y CB 0.962 39.425 38.460 0.005 0.000 1.194 476 Y HN 0.574 nan 8.280 nan 0.000 0.438 477 K N 3.849 123.928 120.400 -0.535 0.000 3.130 477 K HA -0.214 4.106 4.320 -0.000 0.000 0.282 477 K C 0.830 177.340 176.600 -0.150 0.000 1.145 477 K CA 1.339 57.363 56.287 -0.439 0.000 0.831 477 K CB -1.672 30.487 32.500 -0.568 0.000 1.226 477 K HN 1.590 nan 8.250 nan 0.000 0.478 478 G N -0.833 107.945 108.800 -0.036 0.000 2.201 478 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.212 478 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.212 478 G C -0.175 174.750 174.900 0.042 0.000 0.994 478 G CA 0.304 45.420 45.100 0.026 0.000 0.644 478 G HN 0.326 nan 8.290 nan 0.000 0.508 479 E N -0.430 119.796 120.200 0.042 0.000 2.221 479 E HA 0.665 5.015 4.350 -0.000 0.000 0.268 479 E C -0.003 176.644 176.600 0.078 0.000 0.933 479 E CA -0.613 55.822 56.400 0.057 0.000 0.809 479 E CB 2.361 32.093 29.700 0.052 0.000 1.190 479 E HN 0.221 nan 8.360 nan 0.000 0.406 480 V N 2.780 122.735 119.914 0.068 0.000 2.407 480 V HA 0.440 4.560 4.120 -0.000 0.000 0.278 480 V C -0.137 175.992 176.094 0.058 0.000 1.037 480 V CA -0.416 61.924 62.300 0.066 0.000 0.900 480 V CB 0.939 32.800 31.823 0.064 0.000 0.983 480 V HN 0.435 nan 8.190 nan 0.000 0.459 481 V N 3.066 123.014 119.914 0.056 0.000 3.119 481 V HA 0.546 4.666 4.120 -0.000 0.000 0.311 481 V C 0.125 176.239 176.094 0.033 0.000 1.259 481 V CA -0.650 61.679 62.300 0.047 0.000 1.067 481 V CB 2.419 34.278 31.823 0.060 0.000 1.123 481 V HN 0.768 nan 8.190 nan 0.000 0.463 482 D N -0.001 120.418 120.400 0.031 0.000 2.500 482 D HA 0.488 5.128 4.640 -0.000 0.000 0.218 482 D C 0.094 176.416 176.300 0.037 0.000 1.140 482 D CA 0.748 54.765 54.000 0.029 0.000 0.830 482 D CB 1.791 42.606 40.800 0.025 0.000 1.055 482 D HN 0.677 nan 8.370 nan 0.000 0.512 483 A N 0.746 123.589 122.820 0.038 0.000 2.549 483 A HA 0.643 4.963 4.320 -0.000 0.000 0.297 483 A C -0.734 176.870 177.584 0.033 0.000 1.061 483 A CA -0.558 51.511 52.037 0.052 0.000 0.690 483 A CB 1.465 20.493 19.000 0.047 0.000 1.287 483 A HN -0.023 nan 8.150 nan 0.000 0.402 484 I N 0.268 120.869 120.570 0.051 0.000 3.062 484 I HA 0.524 4.694 4.170 -0.000 0.000 0.316 484 I C -0.101 176.025 176.117 0.014 0.000 1.041 484 I CA -0.928 60.353 61.300 -0.030 0.000 1.069 484 I CB 1.947 39.868 38.000 -0.131 0.000 1.300 484 I HN 0.263 nan 8.210 nan 0.000 0.518 485 V N 3.257 123.146 119.914 -0.043 0.000 2.711 485 V HA 0.155 4.275 4.120 -0.000 0.000 0.335 485 V C -1.752 174.342 176.094 0.000 0.000 1.235 485 V CA -1.042 61.258 62.300 0.001 0.000 1.250 485 V CB -0.211 31.617 31.823 0.008 0.000 1.469 485 V HN 0.595 nan 8.190 nan 0.000 0.646 486 P HA -0.446 nan 4.420 nan 0.000 0.232 486 P C 1.790 179.110 177.300 0.033 0.000 0.768 486 P CA 3.213 66.354 63.100 0.068 0.000 1.075 486 P CB -0.229 31.551 31.700 0.134 0.000 0.715 487 A N -2.223 120.623 122.820 0.043 0.000 2.009 487 A HA -0.316 4.004 4.320 -0.000 0.000 0.222 487 A C 2.288 179.896 177.584 0.040 0.000 1.175 487 A CA 3.100 55.161 52.037 0.041 0.000 0.651 487 A CB -1.856 17.165 19.000 0.034 0.000 0.815 487 A HN 0.404 nan 8.150 nan 0.000 0.459 488 T N -0.602 113.969 114.554 0.029 0.000 2.777 488 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 488 T C 1.678 176.425 174.700 0.077 0.000 1.040 488 T CA 1.568 63.701 62.100 0.056 0.000 1.141 488 T CB -0.318 68.586 68.868 0.060 0.000 0.868 488 T HN 0.229 nan 8.240 nan 0.000 0.444 489 V N 1.648 121.559 119.914 -0.005 0.000 3.305 489 V HA 0.053 4.173 4.120 -0.000 0.000 0.269 489 V C 0.827 176.969 176.094 0.079 0.000 1.157 489 V CA 0.425 62.743 62.300 0.029 0.000 1.157 489 V CB -0.936 30.801 31.823 -0.143 0.000 0.772 489 V HN 0.426 nan 8.190 nan 0.000 0.498 490 M N 0.062 119.705 119.600 0.072 0.000 2.235 490 M HA 0.423 4.902 4.480 -0.000 0.000 0.351 490 M C 1.052 177.400 176.300 0.079 0.000 1.178 490 M CA -0.042 55.306 55.300 0.079 0.000 1.143 490 M CB -0.241 32.402 32.600 0.071 0.000 1.530 490 M HN 0.237 nan 8.290 nan 0.000 0.461 491 A N 2.970 125.836 122.820 0.077 0.000 2.409 491 A HA -0.220 4.100 4.320 -0.000 0.000 0.290 491 A C 0.915 178.540 177.584 0.069 0.000 1.440 491 A CA 1.331 53.408 52.037 0.067 0.000 0.775 491 A CB -1.806 17.228 19.000 0.056 0.000 1.069 491 A HN 0.920 nan 8.150 nan 0.000 0.389 492 N N -2.105 116.646 118.700 0.085 0.000 2.075 492 N HA 0.030 4.770 4.740 -0.000 0.000 0.226 492 N C 0.103 175.664 175.510 0.085 0.000 1.343 492 N CA 0.168 53.274 53.050 0.093 0.000 0.881 492 N CB 0.375 38.946 38.487 0.141 0.000 1.100 492 N HN 0.625 nan 8.380 nan 0.000 0.495 493 Q N 0.492 120.345 119.800 0.088 0.000 2.180 493 Q HA 0.326 4.666 4.340 -0.000 0.000 0.241 493 Q C 0.375 176.403 176.000 0.048 0.000 0.970 493 Q CA -0.258 55.588 55.803 0.072 0.000 0.919 493 Q CB 1.330 30.122 28.738 0.090 0.000 1.222 493 Q HN 0.183 nan 8.270 nan 0.000 0.482 494 T N -3.253 111.321 114.554 0.033 0.000 2.922 494 T HA 0.383 4.733 4.350 -0.000 0.000 0.281 494 T C 1.033 175.748 174.700 0.026 0.000 1.005 494 T CA -0.099 62.015 62.100 0.023 0.000 0.982 494 T CB 0.832 69.705 68.868 0.008 0.000 1.158 494 T HN 0.353 nan 8.240 nan 0.000 0.566 495 S N 1.028 116.739 115.700 0.019 0.000 2.407 495 S HA -0.226 4.244 4.470 -0.000 0.000 0.244 495 S C 1.774 176.388 174.600 0.024 0.000 1.077 495 S CA 2.181 60.393 58.200 0.020 0.000 1.159 495 S CB -0.596 62.611 63.200 0.011 0.000 1.045 495 S HN 0.939 nan 8.310 nan 0.000 0.438 496 E N 0.565 120.776 120.200 0.018 0.000 2.481 496 E HA 0.118 4.468 4.350 -0.000 0.000 0.198 496 E C 1.300 177.915 176.600 0.026 0.000 1.027 496 E CA 0.087 56.500 56.400 0.022 0.000 0.900 496 E CB -0.110 29.595 29.700 0.009 0.000 0.993 496 E HN 0.608 nan 8.360 nan 0.000 0.482 497 E N 0.983 121.197 120.200 0.024 0.000 2.526 497 E HA -0.020 4.330 4.350 -0.000 0.000 0.198 497 E C 1.045 177.686 176.600 0.067 0.000 1.091 497 E CA 0.129 56.547 56.400 0.030 0.000 0.880 497 E CB 0.412 30.123 29.700 0.018 0.000 0.873 497 E HN 0.142 nan 8.360 nan 0.000 0.527 498 V N -0.313 119.643 119.914 0.069 0.000 2.840 498 V HA 0.087 4.207 4.120 -0.000 0.000 0.234 498 V C 2.005 178.157 176.094 0.095 0.000 1.159 498 V CA 1.077 63.426 62.300 0.083 0.000 1.194 498 V CB 0.020 31.883 31.823 0.067 0.000 0.971 498 V HN 0.314 nan 8.190 nan 0.000 0.494 499 A N -0.705 122.165 122.820 0.084 0.000 2.125 499 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 499 A C 2.201 179.874 177.584 0.150 0.000 1.156 499 A CA 1.936 54.035 52.037 0.105 0.000 0.671 499 A CB -0.360 18.688 19.000 0.080 0.000 0.794 499 A HN 0.437 nan 8.150 nan 0.000 0.459 500 S N -0.870 114.904 115.700 0.123 0.000 2.577 500 S HA 0.520 4.990 4.470 -0.000 0.000 0.219 500 S C 0.859 175.585 174.600 0.209 0.000 0.962 500 S CA 0.309 58.579 58.200 0.117 0.000 0.921 500 S CB -0.808 62.407 63.200 0.026 0.000 0.789 500 S HN 0.746 nan 8.310 nan 0.000 0.497 501 A N 1.444 124.390 122.820 0.210 0.000 2.492 501 A HA 0.361 4.681 4.320 -0.000 0.000 0.236 501 A C 0.019 177.719 177.584 0.193 0.000 1.078 501 A CA -0.045 52.119 52.037 0.211 0.000 0.773 501 A CB 0.098 19.187 19.000 0.148 0.000 1.023 501 A HN 0.589 nan 8.150 nan 0.000 0.504 502 L N 2.314 123.546 121.223 0.015 0.000 2.262 502 L HA 0.486 4.826 4.340 -0.000 0.000 0.288 502 L C 0.813 177.623 176.870 -0.100 0.000 1.035 502 L CA -0.556 54.126 54.840 -0.263 0.000 0.820 502 L CB 0.578 42.134 42.059 -0.838 0.000 1.204 502 L HN 0.988 nan 8.230 nan 0.000 0.424 503 A N 4.707 127.511 122.820 -0.027 0.000 2.494 503 A HA -0.198 4.122 4.320 -0.000 0.000 0.291 503 A C 0.871 178.408 177.584 -0.078 0.000 0.951 503 A CA 1.319 53.312 52.037 -0.072 0.000 1.099 503 A CB -0.849 18.072 19.000 -0.131 0.000 0.783 503 A HN 1.090 nan 8.150 nan 0.000 0.433 504 N N 0.107 118.771 118.700 -0.060 0.000 2.765 504 N HA -0.141 4.599 4.740 -0.000 0.000 0.254 504 N C -0.874 174.596 175.510 -0.067 0.000 1.094 504 N CA 1.315 54.325 53.050 -0.065 0.000 0.680 504 N CB -0.764 37.689 38.487 -0.056 0.000 0.902 504 N HN 1.058 nan 8.380 nan 0.000 0.557 505 D N -1.019 119.346 120.400 -0.059 0.000 2.490 505 D HA 0.683 5.322 4.640 -0.000 0.000 0.232 505 D C 1.284 177.543 176.300 -0.068 0.000 1.053 505 D CA -0.167 53.817 54.000 -0.027 0.000 0.914 505 D CB 0.873 41.690 40.800 0.028 0.000 1.431 505 D HN 0.169 nan 8.370 nan 0.000 0.483 506 A N 1.660 124.434 122.820 -0.077 0.000 1.893 506 A HA -0.296 4.024 4.320 -0.000 0.000 0.222 506 A C 2.220 179.685 177.584 -0.198 0.000 1.309 506 A CA 2.657 54.534 52.037 -0.268 0.000 0.681 506 A CB -1.307 17.372 19.000 -0.535 0.000 0.842 506 A HN 0.717 nan 8.150 nan 0.000 0.468 507 I N -0.547 120.014 120.570 -0.014 0.000 2.113 507 I HA -0.310 3.860 4.170 -0.000 0.000 0.242 507 I C 2.238 178.350 176.117 -0.007 0.000 1.057 507 I CA 1.887 63.208 61.300 0.035 0.000 1.314 507 I CB -0.560 37.522 38.000 0.136 0.000 1.022 507 I HN 0.220 nan 8.210 nan 0.000 0.408 508 V N 0.576 120.483 119.914 -0.011 0.000 2.759 508 V HA -0.199 3.921 4.120 -0.000 0.000 0.256 508 V C 2.173 178.228 176.094 -0.066 0.000 1.080 508 V CA 1.341 63.630 62.300 -0.018 0.000 1.101 508 V CB -0.431 31.385 31.823 -0.011 0.000 0.698 508 V HN 0.379 nan 8.190 nan 0.000 0.477 509 L N -0.615 120.506 121.223 -0.170 0.000 2.168 509 L HA 0.021 4.361 4.340 -0.000 0.000 0.203 509 L C 2.001 178.733 176.870 -0.230 0.000 1.078 509 L CA 0.714 55.372 54.840 -0.303 0.000 0.780 509 L CB -0.150 41.514 42.059 -0.658 0.000 0.939 509 L HN 0.158 nan 8.230 nan 0.000 0.451 510 V N -1.414 118.377 119.914 -0.206 0.000 3.623 510 V HA -0.070 4.050 4.120 -0.000 0.000 0.274 510 V C 1.937 178.085 176.094 0.089 0.000 1.244 510 V CA 1.090 63.388 62.300 -0.003 0.000 1.182 510 V CB 0.046 31.847 31.823 -0.037 0.000 0.925 510 V HN 0.306 nan 8.190 nan 0.000 0.462 511 S N 0.170 115.907 115.700 0.061 0.000 2.599 511 S HA 0.057 4.527 4.470 -0.000 0.000 0.236 511 S C 1.737 176.389 174.600 0.086 0.000 1.077 511 S CA 0.271 58.512 58.200 0.069 0.000 0.906 511 S CB 0.015 63.238 63.200 0.039 0.000 0.804 511 S HN 0.548 nan 8.310 nan 0.000 0.497 512 N N 0.754 119.512 118.700 0.096 0.000 2.331 512 N HA 0.019 4.759 4.740 -0.000 0.000 0.180 512 N C 1.346 176.980 175.510 0.205 0.000 1.019 512 N CA 0.957 54.077 53.050 0.115 0.000 0.881 512 N CB -0.240 38.303 38.487 0.094 0.000 0.972 512 N HN 0.426 nan 8.380 nan 0.000 0.435 513 H N 0.367 119.518 119.070 0.136 0.000 2.287 513 H HA 0.216 4.772 4.556 -0.000 0.000 0.309 513 H C 1.837 177.255 175.328 0.150 0.000 1.059 513 H CA 1.097 57.252 56.048 0.179 0.000 1.357 513 H CB -0.388 29.551 29.762 0.295 0.000 1.409 513 H HN 0.012 nan 8.280 nan 0.000 0.515 514 L N 0.159 121.514 121.223 0.220 0.000 2.081 514 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 514 L C 2.037 178.974 176.870 0.110 0.000 1.080 514 L CA 1.546 56.510 54.840 0.207 0.000 0.754 514 L CB -0.556 41.648 42.059 0.240 0.000 0.893 514 L HN 0.321 nan 8.230 nan 0.000 0.433 515 N N -0.237 118.495 118.700 0.053 0.000 2.205 515 N HA -0.158 4.582 4.740 -0.000 0.000 0.186 515 N C 1.780 177.299 175.510 0.015 0.000 1.015 515 N CA 0.962 54.013 53.050 0.001 0.000 0.862 515 N CB 0.045 38.541 38.487 0.014 0.000 0.986 515 N HN 0.199 nan 8.380 nan 0.000 0.429 516 K N 0.528 120.943 120.400 0.025 0.000 2.007 516 K HA 0.006 4.326 4.320 -0.000 0.000 0.206 516 K C 1.826 178.435 176.600 0.014 0.000 1.047 516 K CA 0.398 56.691 56.287 0.010 0.000 0.937 516 K CB -0.998 31.494 32.500 -0.013 0.000 0.718 516 K HN 0.203 nan 8.250 nan 0.000 0.438 517 L N 1.374 122.604 121.223 0.011 0.000 2.187 517 L HA -0.090 4.250 4.340 -0.000 0.000 0.213 517 L C 1.945 178.934 176.870 0.197 0.000 1.100 517 L CA 1.728 56.609 54.840 0.068 0.000 0.765 517 L CB -0.821 41.270 42.059 0.053 0.000 0.904 517 L HN 0.074 nan 8.230 nan 0.000 0.437 518 A N -0.339 122.594 122.820 0.189 0.000 2.014 518 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 518 A C 1.828 179.454 177.584 0.070 0.000 1.163 518 A CA 1.280 53.396 52.037 0.132 0.000 0.652 518 A CB -0.381 18.512 19.000 -0.178 0.000 0.808 518 A HN 0.548 nan 8.150 nan 0.000 0.449 519 N N -0.487 118.240 118.700 0.044 0.000 2.392 519 N HA 0.027 4.767 4.740 -0.000 0.000 0.177 519 N C 1.488 177.020 175.510 0.036 0.000 1.066 519 N CA 0.824 53.891 53.050 0.029 0.000 0.895 519 N CB 0.340 38.836 38.487 0.014 0.000 0.988 519 N HN 0.260 nan 8.380 nan 0.000 0.457 520 V N 1.098 121.039 119.914 0.044 0.000 2.346 520 V HA -0.144 3.976 4.120 -0.000 0.000 0.244 520 V C 2.505 178.626 176.094 0.046 0.000 1.037 520 V CA 1.309 63.630 62.300 0.035 0.000 1.029 520 V CB -0.537 31.301 31.823 0.024 0.000 0.663 520 V HN 0.115 nan 8.190 nan 0.000 0.454 521 V N 0.099 120.058 119.914 0.074 0.000 2.270 521 V HA -0.038 4.082 4.120 -0.000 0.000 0.245 521 V C 2.568 178.702 176.094 0.068 0.000 1.043 521 V CA 2.126 64.472 62.300 0.078 0.000 1.014 521 V CB -2.003 29.895 31.823 0.126 0.000 0.645 521 V HN 0.423 nan 8.190 nan 0.000 0.447 522 G N 0.003 108.845 108.800 0.071 0.000 2.547 522 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.221 522 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.221 522 G C 1.351 176.272 174.900 0.035 0.000 1.140 522 G CA 1.413 46.542 45.100 0.047 0.000 0.760 522 G HN 0.575 nan 8.290 nan 0.000 0.583 523 D N 0.337 120.756 120.400 0.032 0.000 2.128 523 D HA 0.072 4.712 4.640 -0.000 0.000 0.213 523 D C 2.938 179.253 176.300 0.024 0.000 0.983 523 D CA 1.139 55.154 54.000 0.024 0.000 0.889 523 D CB -0.312 40.501 40.800 0.021 0.000 1.018 523 D HN 0.209 nan 8.370 nan 0.000 0.448 524 A N 1.437 124.272 122.820 0.024 0.000 1.835 524 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 524 A C 1.538 179.135 177.584 0.022 0.000 1.199 524 A CA 0.709 52.759 52.037 0.021 0.000 0.615 524 A CB -0.874 18.137 19.000 0.018 0.000 0.838 524 A HN 0.279 nan 8.150 nan 0.000 0.444 525 I N 1.277 121.863 120.570 0.027 0.000 2.754 525 I HA 0.076 4.246 4.170 -0.000 0.000 0.285 525 I C -1.755 174.381 176.117 0.031 0.000 1.166 525 I CA -1.328 59.989 61.300 0.029 0.000 1.417 525 I CB 0.727 38.747 38.000 0.033 0.000 1.382 525 I HN 0.231 nan 8.210 nan 0.000 0.588 526 P HA 0.090 nan 4.420 nan 0.000 0.212 526 P C 0.373 177.694 177.300 0.034 0.000 1.816 526 P CA -0.059 63.057 63.100 0.027 0.000 0.944 526 P CB -0.041 31.669 31.700 0.018 0.000 1.896 527 V N -0.011 119.930 119.914 0.045 0.000 3.564 527 V HA 0.107 4.227 4.120 -0.000 0.000 0.283 527 V C 1.549 177.673 176.094 0.050 0.000 1.227 527 V CA 1.090 63.424 62.300 0.057 0.000 1.217 527 V CB -1.444 30.426 31.823 0.078 0.000 0.994 527 V HN 0.400 nan 8.190 nan 0.000 0.446 528 A N 0.213 123.055 122.820 0.038 0.000 2.795 528 A HA 0.688 5.008 4.320 -0.000 0.000 0.282 528 A C 0.350 177.948 177.584 0.024 0.000 0.964 528 A CA 0.318 52.374 52.037 0.031 0.000 1.045 528 A CB 0.297 19.313 19.000 0.027 0.000 1.174 528 A HN 0.548 nan 8.150 nan 0.000 0.493 529 S N -1.506 114.208 115.700 0.023 0.000 2.611 529 S HA 0.485 4.955 4.470 -0.000 0.000 0.268 529 S C -0.172 174.436 174.600 0.013 0.000 1.156 529 S CA -0.812 57.397 58.200 0.015 0.000 0.817 529 S CB 0.928 64.133 63.200 0.009 0.000 1.122 529 S HN 0.247 nan 8.310 nan 0.000 0.466 530 R N 1.127 121.630 120.500 0.004 0.000 2.858 530 R HA 0.088 4.428 4.340 -0.000 0.000 0.228 530 R C 0.980 177.267 176.300 -0.022 0.000 1.471 530 R CA 0.799 56.897 56.100 -0.003 0.000 1.342 530 R CB -0.871 29.424 30.300 -0.009 0.000 1.152 530 R HN 0.805 nan 8.270 nan 0.000 0.521 531 T N -2.649 111.896 114.554 -0.016 0.000 3.278 531 T HA 0.006 4.356 4.350 -0.000 0.000 0.251 531 T C 0.167 174.840 174.700 -0.044 0.000 1.039 531 T CA -0.468 61.612 62.100 -0.034 0.000 0.935 531 T CB -0.041 68.815 68.868 -0.019 0.000 1.034 531 T HN 0.149 nan 8.240 nan 0.000 0.575 532 D N 3.541 123.919 120.400 -0.036 0.000 2.827 532 D HA -0.147 4.493 4.640 -0.000 0.000 0.217 532 D C 0.102 176.413 176.300 0.017 0.000 1.233 532 D CA 1.471 55.460 54.000 -0.018 0.000 0.618 532 D CB -1.195 39.469 40.800 -0.226 0.000 0.984 532 D HN 0.878 nan 8.370 nan 0.000 0.399 533 D N -1.696 118.728 120.400 0.040 0.000 2.319 533 D HA -0.014 4.626 4.640 -0.000 0.000 0.235 533 D C 1.431 177.773 176.300 0.070 0.000 1.304 533 D CA 0.309 54.335 54.000 0.042 0.000 0.894 533 D CB 0.498 41.323 40.800 0.040 0.000 1.183 533 D HN 0.033 nan 8.370 nan 0.000 0.472 534 S N -0.152 115.577 115.700 0.050 0.000 2.402 534 S HA -0.263 4.207 4.470 -0.000 0.000 0.233 534 S C 1.938 176.567 174.600 0.048 0.000 1.030 534 S CA 0.939 59.169 58.200 0.050 0.000 1.003 534 S CB -0.984 62.233 63.200 0.028 0.000 0.813 534 S HN 0.675 nan 8.310 nan 0.000 0.477 535 A N 2.388 125.233 122.820 0.042 0.000 1.832 535 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 535 A C 2.595 180.201 177.584 0.037 0.000 1.200 535 A CA 2.245 54.297 52.037 0.024 0.000 0.610 535 A CB -1.832 17.186 19.000 0.030 0.000 0.842 535 A HN 0.769 nan 8.150 nan 0.000 0.444 536 T N -2.612 111.987 114.554 0.076 0.000 3.077 536 T HA -0.063 4.287 4.350 -0.000 0.000 0.269 536 T C 1.743 176.532 174.700 0.148 0.000 1.146 536 T CA 1.906 64.067 62.100 0.103 0.000 1.091 536 T CB -0.307 68.645 68.868 0.141 0.000 0.892 536 T HN 0.325 nan 8.240 nan 0.000 0.533 537 S N 0.035 115.837 115.700 0.170 0.000 2.421 537 S HA 0.360 4.830 4.470 -0.000 0.000 0.224 537 S C 2.444 177.068 174.600 0.039 0.000 1.035 537 S CA 0.625 58.968 58.200 0.239 0.000 0.953 537 S CB -0.694 62.680 63.200 0.289 0.000 0.810 537 S HN 0.722 nan 8.310 nan 0.000 0.497 538 A N 1.620 124.450 122.820 0.016 0.000 1.902 538 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 538 A C 2.001 179.544 177.584 -0.068 0.000 1.181 538 A CA 1.444 53.463 52.037 -0.029 0.000 0.623 538 A CB -0.741 18.240 19.000 -0.033 0.000 0.818 538 A HN 0.613 nan 8.150 nan 0.000 0.443 539 I N -0.795 119.735 120.570 -0.067 0.000 2.252 539 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 539 I C 2.327 178.359 176.117 -0.141 0.000 1.102 539 I CA 0.869 62.119 61.300 -0.084 0.000 1.385 539 I CB -0.362 37.604 38.000 -0.056 0.000 1.064 539 I HN 0.133 nan 8.210 nan 0.000 0.414 540 V N 1.209 120.988 119.914 -0.225 0.000 2.324 540 V HA -0.316 3.804 4.120 -0.000 0.000 0.250 540 V C 2.675 178.523 176.094 -0.409 0.000 1.060 540 V CA 2.442 64.473 62.300 -0.447 0.000 1.042 540 V CB -0.747 30.455 31.823 -1.036 0.000 0.650 540 V HN 0.636 nan 8.190 nan 0.000 0.450 541 S N -0.300 115.212 115.700 -0.313 0.000 2.423 541 S HA -0.166 4.304 4.470 -0.000 0.000 0.231 541 S C 2.030 176.548 174.600 -0.137 0.000 1.014 541 S CA 0.747 58.816 58.200 -0.219 0.000 0.965 541 S CB -0.323 62.794 63.200 -0.139 0.000 0.785 541 S HN 0.470 nan 8.310 nan 0.000 0.495 542 R N 1.381 121.813 120.500 -0.114 0.000 2.062 542 R HA 0.235 4.575 4.340 -0.000 0.000 0.229 542 R C 2.406 178.674 176.300 -0.054 0.000 1.128 542 R CA 0.994 57.053 56.100 -0.069 0.000 0.960 542 R CB -1.300 28.965 30.300 -0.058 0.000 0.855 542 R HN 0.446 nan 8.270 nan 0.000 0.432 543 L N 0.527 121.705 121.223 -0.075 0.000 2.043 543 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 543 L C 2.627 179.497 176.870 -0.001 0.000 1.075 543 L CA 1.564 56.380 54.840 -0.041 0.000 0.752 543 L CB -0.837 41.176 42.059 -0.076 0.000 0.891 543 L HN 0.167 nan 8.230 nan 0.000 0.432 544 A N 0.091 122.886 122.820 -0.042 0.000 1.828 544 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 544 A C 2.281 179.916 177.584 0.084 0.000 1.203 544 A CA 1.877 53.943 52.037 0.048 0.000 0.614 544 A CB -1.115 17.859 19.000 -0.045 0.000 0.844 544 A HN 0.135 nan 8.150 nan 0.000 0.445 545 V N 0.647 120.574 119.914 0.021 0.000 2.511 545 V HA -0.309 3.811 4.120 -0.000 0.000 0.257 545 V C 2.762 178.876 176.094 0.034 0.000 1.088 545 V CA 2.444 64.758 62.300 0.023 0.000 1.098 545 V CB -0.710 31.109 31.823 -0.006 0.000 0.674 545 V HN 0.716 nan 8.190 nan 0.000 0.470 546 Q N -0.233 119.591 119.800 0.040 0.000 2.013 546 Q HA -0.184 4.156 4.340 -0.000 0.000 0.195 546 Q C 2.366 178.404 176.000 0.063 0.000 0.974 546 Q CA 1.658 57.484 55.803 0.039 0.000 0.826 546 Q CB -0.545 28.211 28.738 0.030 0.000 0.895 546 Q HN 0.794 nan 8.270 nan 0.000 0.448 547 H N 0.509 119.576 119.070 -0.005 0.000 2.518 547 H HA -0.042 4.514 4.556 -0.000 0.000 0.289 547 H C 1.684 177.012 175.328 -0.001 0.000 1.051 547 H CA 1.160 57.205 56.048 -0.005 0.000 1.280 547 H CB 0.395 30.152 29.762 -0.009 0.000 1.380 547 H HN 0.040 nan 8.280 nan 0.000 0.566 548 K N 1.043 121.525 120.400 0.136 0.000 2.116 548 K HA -0.047 4.273 4.320 -0.000 0.000 0.203 548 K C 2.274 178.862 176.600 -0.020 0.000 1.052 548 K CA 0.834 57.173 56.287 0.087 0.000 0.952 548 K CB -0.100 32.480 32.500 0.133 0.000 0.729 548 K HN 0.435 nan 8.250 nan 0.000 0.446 549 L N -0.410 120.801 121.223 -0.020 0.000 2.341 549 L HA 0.114 4.454 4.340 -0.000 0.000 0.214 549 L C 1.799 178.633 176.870 -0.060 0.000 1.115 549 L CA 1.656 56.478 54.840 -0.030 0.000 0.820 549 L CB -1.103 40.948 42.059 -0.014 0.000 0.944 549 L HN -0.014 nan 8.230 nan 0.000 0.452 550 S N -1.260 114.383 115.700 -0.095 0.000 2.515 550 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 550 S C 1.932 176.442 174.600 -0.149 0.000 0.987 550 S CA 0.860 58.994 58.200 -0.110 0.000 0.936 550 S CB -0.384 62.745 63.200 -0.119 0.000 0.766 550 S HN 0.586 nan 8.310 nan 0.000 0.528 551 Q N 0.921 120.608 119.800 -0.187 0.000 2.376 551 Q HA 0.346 4.686 4.340 -0.000 0.000 0.206 551 Q C 0.298 176.246 176.000 -0.087 0.000 0.921 551 Q CA 0.078 55.779 55.803 -0.170 0.000 0.911 551 Q CB -0.004 28.600 28.738 -0.224 0.000 1.032 551 Q HN 0.427 nan 8.270 nan 0.000 0.510 552 V N 1.106 120.981 119.914 -0.064 0.000 2.763 552 V HA 0.355 4.475 4.120 -0.000 0.000 0.306 552 V C 0.517 176.591 176.094 -0.033 0.000 1.059 552 V CA 0.814 63.092 62.300 -0.036 0.000 1.138 552 V CB 0.320 32.129 31.823 -0.024 0.000 0.940 552 V HN 0.607 nan 8.190 nan 0.000 0.489 553 G N 4.282 113.067 108.800 -0.024 0.000 3.276 553 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.679 553 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.679 553 G C -0.543 174.343 174.900 -0.024 0.000 0.911 553 G CA 0.565 45.653 45.100 -0.020 0.000 0.797 553 G HN 1.506 nan 8.290 nan 0.000 0.503 554 Q N 0.105 119.894 119.800 -0.019 0.000 3.232 554 Q HA 0.142 4.482 4.340 -0.000 0.000 0.030 554 Q C 1.322 177.310 176.000 -0.020 0.000 1.707 554 Q CA 0.742 56.533 55.803 -0.020 0.000 0.246 554 Q CB -1.030 27.693 28.738 -0.024 0.000 0.635 554 Q HN 2.651 nan 8.270 nan 0.000 0.323 555 A N 2.470 125.281 122.820 -0.015 0.000 2.254 555 A HA -0.294 4.026 4.320 -0.000 0.000 0.224 555 A C 1.065 178.641 177.584 -0.014 0.000 1.184 555 A CA 2.650 54.679 52.037 -0.013 0.000 0.688 555 A CB -1.309 17.684 19.000 -0.011 0.000 0.821 555 A HN 2.204 nan 8.150 nan 0.000 0.498 556 S N -2.700 112.987 115.700 -0.021 0.000 3.425 556 S HA -0.195 4.275 4.470 -0.000 0.000 0.377 556 S C -0.516 174.075 174.600 -0.015 0.000 0.989 556 S CA 0.828 59.013 58.200 -0.024 0.000 1.183 556 S CB -2.143 61.047 63.200 -0.017 0.000 0.908 556 S HN 0.740 nan 8.310 nan 0.000 0.472 557 P HA 0.060 nan 4.420 nan 0.000 0.228 557 P C 0.066 177.363 177.300 -0.004 0.000 1.151 557 P CA 0.884 63.979 63.100 -0.008 0.000 0.770 557 P CB -0.264 31.431 31.700 -0.008 0.000 0.786 558 T N 3.331 117.884 114.554 -0.003 0.000 2.963 558 T HA 0.309 4.659 4.350 -0.000 0.000 0.343 558 T C -2.658 172.059 174.700 0.028 0.000 1.146 558 T CA -1.546 60.563 62.100 0.014 0.000 1.016 558 T CB 1.230 70.122 68.868 0.039 0.000 1.046 558 T HN 0.061 nan 8.240 nan 0.000 0.496 559 P HA 0.193 nan 4.420 nan 0.000 0.271 559 P C -2.370 174.882 177.300 -0.080 0.000 1.226 559 P CA -1.274 61.815 63.100 -0.018 0.000 0.765 559 P CB -0.239 31.439 31.700 -0.037 0.000 0.835 560 P HA -0.131 nan 4.420 nan 0.000 0.267 560 P C 0.394 177.217 177.300 -0.795 0.000 1.175 560 P CA 0.486 63.338 63.100 -0.414 0.000 0.763 560 P CB 0.763 32.205 31.700 -0.430 0.000 0.795 561 D N 1.198 121.161 120.400 -0.728 0.000 2.128 561 D HA -0.075 4.565 4.640 -0.000 0.000 0.213 561 D C 0.764 176.797 176.300 -0.445 0.000 0.983 561 D CA 1.099 54.817 54.000 -0.470 0.000 0.889 561 D CB -0.054 40.600 40.800 -0.243 0.000 1.018 561 D HN 0.683 nan 8.370 nan 0.000 0.448 562 Y N -3.308 116.952 120.300 -0.067 0.000 2.716 562 Y HA -0.281 4.269 4.550 -0.000 0.000 0.473 562 Y C -1.529 174.498 175.900 0.212 0.000 1.306 562 Y CA 0.342 58.457 58.100 0.024 0.000 2.486 562 Y CB -1.958 36.564 38.460 0.103 0.000 1.090 562 Y HN 0.185 nan 8.280 nan 0.000 0.556 563 P HA -0.152 nan 4.420 nan 0.000 0.216 563 P C 1.648 179.072 177.300 0.207 0.000 1.150 563 P CA 2.011 65.271 63.100 0.267 0.000 0.837 563 P CB -0.088 31.699 31.700 0.145 0.000 0.786 564 L N -1.679 119.616 121.223 0.119 0.000 2.179 564 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 564 L C 2.073 178.973 176.870 0.051 0.000 1.096 564 L CA 1.099 55.975 54.840 0.061 0.000 0.779 564 L CB -0.460 41.599 42.059 0.002 0.000 0.922 564 L HN -0.136 nan 8.230 nan 0.000 0.443 565 L N -1.611 119.637 121.223 0.042 0.000 2.095 565 L HA -0.154 4.186 4.340 -0.000 0.000 0.204 565 L C 2.326 179.178 176.870 -0.029 0.000 1.080 565 L CA 1.524 56.344 54.840 -0.034 0.000 0.759 565 L CB -0.910 41.103 42.059 -0.076 0.000 0.914 565 L HN 0.436 nan 8.230 nan 0.000 0.439 566 W N 0.694 122.024 121.300 0.049 0.000 2.335 566 W HA -0.205 4.455 4.660 -0.000 0.000 0.311 566 W C 2.925 179.457 176.519 0.020 0.000 1.213 566 W CA 1.266 58.627 57.345 0.026 0.000 1.274 566 W CB -0.244 29.230 29.460 0.023 0.000 1.148 566 W HN 0.073 nan 8.180 nan 0.000 0.498 567 R N 0.897 121.551 120.500 0.258 0.000 2.115 567 R HA -0.140 4.200 4.340 -0.000 0.000 0.230 567 R C 2.311 178.672 176.300 0.101 0.000 1.111 567 R CA 1.499 57.691 56.100 0.153 0.000 0.976 567 R CB -0.366 30.002 30.300 0.113 0.000 0.870 567 R HN 0.117 nan 8.270 nan 0.000 0.445 568 R N -0.123 120.421 120.500 0.074 0.000 2.090 568 R HA -0.025 4.315 4.340 -0.000 0.000 0.228 568 R C 1.872 178.196 176.300 0.040 0.000 1.110 568 R CA 1.332 57.458 56.100 0.043 0.000 0.973 568 R CB -0.172 30.138 30.300 0.018 0.000 0.869 568 R HN 0.277 nan 8.270 nan 0.000 0.440 569 A N 0.640 123.479 122.820 0.032 0.000 2.067 569 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 569 A C 1.942 179.567 177.584 0.068 0.000 1.156 569 A CA 1.068 53.118 52.037 0.022 0.000 0.683 569 A CB -0.166 18.808 19.000 -0.042 0.000 0.808 569 A HN 0.252 nan 8.150 nan 0.000 0.455 570 K N 0.947 121.410 120.400 0.106 0.000 2.057 570 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 570 K C 2.156 178.809 176.600 0.087 0.000 1.050 570 K CA 1.685 58.041 56.287 0.114 0.000 0.935 570 K CB -0.223 32.352 32.500 0.125 0.000 0.715 570 K HN 0.585 nan 8.250 nan 0.000 0.439 571 R N -0.460 120.085 120.500 0.075 0.000 2.193 571 R HA 0.142 4.482 4.340 -0.000 0.000 0.213 571 R C 1.986 178.330 176.300 0.073 0.000 1.055 571 R CA 0.997 57.137 56.100 0.067 0.000 0.995 571 R CB -0.301 30.032 30.300 0.055 0.000 0.893 571 R HN 0.124 nan 8.270 nan 0.000 0.459 572 A N 1.844 124.705 122.820 0.069 0.000 1.855 572 A HA 0.067 4.387 4.320 -0.000 0.000 0.215 572 A C 2.518 180.166 177.584 0.107 0.000 1.191 572 A CA 1.375 53.457 52.037 0.075 0.000 0.613 572 A CB -0.800 18.228 19.000 0.047 0.000 0.829 572 A HN 0.485 nan 8.150 nan 0.000 0.442 573 A N -0.915 121.960 122.820 0.091 0.000 1.969 573 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 573 A C 2.464 180.150 177.584 0.169 0.000 1.169 573 A CA 2.140 54.244 52.037 0.112 0.000 0.635 573 A CB -0.816 18.227 19.000 0.072 0.000 0.810 573 A HN 0.552 nan 8.150 nan 0.000 0.445 574 S N -0.959 114.816 115.700 0.124 0.000 2.357 574 S HA -0.154 4.316 4.470 -0.000 0.000 0.221 574 S C 2.090 176.752 174.600 0.103 0.000 1.031 574 S CA 1.558 59.821 58.200 0.106 0.000 0.982 574 S CB -0.395 62.851 63.200 0.076 0.000 0.853 574 S HN 0.592 nan 8.310 nan 0.000 0.458 575 M N -0.167 119.495 119.600 0.102 0.000 2.279 575 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 575 M C 1.687 178.037 176.300 0.084 0.000 1.062 575 M CA 1.466 56.813 55.300 0.078 0.000 1.099 575 M CB -0.243 32.403 32.600 0.077 0.000 1.394 575 M HN 0.541 nan 8.290 nan 0.000 0.426 576 F N 0.110 120.073 119.950 0.021 0.000 2.053 576 F HA -0.138 4.389 4.527 -0.000 0.000 0.292 576 F C 1.860 177.671 175.800 0.018 0.000 1.125 576 F CA 1.763 59.775 58.000 0.020 0.000 1.193 576 F CB -0.696 38.315 39.000 0.019 0.000 0.996 576 F HN -0.132 nan 8.300 nan 0.000 0.470 577 V N 0.009 119.993 119.914 0.117 0.000 2.370 577 V HA -0.372 3.748 4.120 -0.000 0.000 0.252 577 V C 2.648 178.671 176.094 -0.118 0.000 1.068 577 V CA 2.075 64.373 62.300 -0.003 0.000 1.061 577 V CB -1.297 30.589 31.823 0.104 0.000 0.656 577 V HN 0.573 nan 8.190 nan 0.000 0.455 578 S N 0.299 115.957 115.700 -0.069 0.000 2.380 578 S HA -0.193 4.277 4.470 -0.000 0.000 0.217 578 S C 1.219 175.751 174.600 -0.113 0.000 1.036 578 S CA 1.946 60.108 58.200 -0.064 0.000 1.050 578 S CB -0.312 62.873 63.200 -0.023 0.000 1.016 578 S HN 0.688 nan 8.310 nan 0.000 0.419 579 N N 0.736 119.353 118.700 -0.138 0.000 2.851 579 N HA 0.422 5.162 4.740 -0.000 0.000 0.248 579 N C -2.244 173.118 175.510 -0.246 0.000 1.221 579 N CA -2.095 50.868 53.050 -0.144 0.000 0.847 579 N CB 1.469 39.914 38.487 -0.071 0.000 1.150 579 N HN 0.041 nan 8.380 nan 0.000 0.507 580 P HA -0.287 nan 4.420 nan 0.000 0.220 580 P C 1.361 178.508 177.300 -0.255 0.000 1.155 580 P CA 1.103 63.816 63.100 -0.644 0.000 0.880 580 P CB 0.257 31.671 31.700 -0.477 0.000 0.790 581 S N -0.945 114.681 115.700 -0.123 0.000 2.369 581 S HA -0.233 4.237 4.470 -0.000 0.000 0.225 581 S C 1.889 176.496 174.600 0.012 0.000 1.043 581 S CA 1.568 59.752 58.200 -0.026 0.000 1.074 581 S CB -1.236 61.956 63.200 -0.013 0.000 0.962 581 S HN -0.001 nan 8.310 nan 0.000 0.433 582 L N 1.118 122.343 121.223 0.003 0.000 2.166 582 L HA -0.319 4.021 4.340 -0.000 0.000 0.228 582 L C 2.576 179.491 176.870 0.074 0.000 1.101 582 L CA 1.704 56.566 54.840 0.036 0.000 0.821 582 L CB -1.000 41.078 42.059 0.032 0.000 0.908 582 L HN 0.552 nan 8.230 nan 0.000 0.447 583 A N -0.913 121.977 122.820 0.117 0.000 2.292 583 A HA -0.071 4.249 4.320 -0.000 0.000 0.209 583 A C 1.930 179.584 177.584 0.117 0.000 1.209 583 A CA 1.068 53.197 52.037 0.154 0.000 0.746 583 A CB -0.506 18.657 19.000 0.271 0.000 0.764 583 A HN 0.527 nan 8.150 nan 0.000 0.492 584 L N -2.006 119.273 121.223 0.093 0.000 2.642 584 L HA 0.102 4.442 4.340 -0.000 0.000 0.233 584 L C 0.481 177.397 176.870 0.076 0.000 1.077 584 L CA -0.045 54.847 54.840 0.087 0.000 0.879 584 L CB -0.111 41.998 42.059 0.084 0.000 1.151 584 L HN 0.379 nan 8.230 nan 0.000 0.495 585 Q N 1.472 121.311 119.800 0.065 0.000 2.288 585 Q HA 0.253 4.593 4.340 -0.000 0.000 0.258 585 Q C -0.408 175.621 176.000 0.049 0.000 0.957 585 Q CA -0.409 55.426 55.803 0.053 0.000 0.919 585 Q CB 2.098 30.862 28.738 0.044 0.000 1.185 585 Q HN -0.031 nan 8.270 nan 0.000 0.408 586 V N 2.407 122.346 119.914 0.043 0.000 2.493 586 V HA 0.256 4.376 4.120 -0.000 0.000 0.292 586 V C 1.210 177.323 176.094 0.031 0.000 1.016 586 V CA 1.145 63.467 62.300 0.037 0.000 1.097 586 V CB 0.134 31.975 31.823 0.031 0.000 0.947 586 V HN 1.107 nan 8.190 nan 0.000 0.479 587 G N 4.916 113.734 108.800 0.031 0.000 2.151 587 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.156 587 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.156 587 G C -0.414 174.504 174.900 0.030 0.000 1.017 587 G CA -0.680 44.436 45.100 0.027 0.000 0.686 587 G HN 0.459 nan 8.290 nan 0.000 0.503 588 I N 2.167 122.759 120.570 0.037 0.000 2.355 588 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 588 I C -1.820 174.322 176.117 0.041 0.000 0.999 588 I CA -3.085 58.239 61.300 0.041 0.000 1.163 588 I CB 1.296 39.327 38.000 0.052 0.000 1.316 588 I HN -0.041 nan 8.210 nan 0.000 0.454 589 P HA 0.057 nan 4.420 nan 0.000 0.260 589 P C 0.855 178.177 177.300 0.036 0.000 1.172 589 P CA 0.490 63.610 63.100 0.033 0.000 0.760 589 P CB 1.154 32.872 31.700 0.031 0.000 0.773 590 V N 2.773 122.705 119.914 0.030 0.000 0.651 590 V HA -0.433 3.687 4.120 -0.000 0.000 0.092 590 V C 2.449 178.560 176.094 0.029 0.000 1.306 590 V CA 1.939 64.253 62.300 0.024 0.000 3.223 590 V CB -2.245 29.591 31.823 0.021 0.000 0.459 590 V HN 0.485 nan 8.190 nan 0.000 0.455 591 L N 0.860 122.109 121.223 0.043 0.000 2.195 591 L HA -0.335 4.005 4.340 -0.000 0.000 0.225 591 L C 2.243 179.146 176.870 0.054 0.000 1.096 591 L CA 2.976 57.852 54.840 0.060 0.000 0.814 591 L CB -0.771 41.352 42.059 0.107 0.000 0.901 591 L HN 0.989 nan 8.230 nan 0.000 0.446 592 T N -4.094 110.491 114.554 0.051 0.000 3.144 592 T HA 0.084 4.434 4.350 -0.000 0.000 0.249 592 T C 0.679 175.400 174.700 0.035 0.000 1.089 592 T CA -0.211 61.919 62.100 0.049 0.000 0.989 592 T CB 0.028 68.926 68.868 0.051 0.000 0.992 592 T HN 0.320 nan 8.240 nan 0.000 0.540 593 Q N 1.554 121.369 119.800 0.024 0.000 2.299 593 Q HA 0.342 4.682 4.340 -0.000 0.000 0.246 593 Q C 1.460 177.468 176.000 0.013 0.000 0.935 593 Q CA -0.102 55.711 55.803 0.017 0.000 0.887 593 Q CB 1.420 30.165 28.738 0.011 0.000 1.223 593 Q HN 0.490 nan 8.270 nan 0.000 0.439 594 S N 1.320 117.028 115.700 0.013 0.000 2.392 594 S HA -0.242 4.228 4.470 -0.000 0.000 0.232 594 S C 1.656 176.257 174.600 0.000 0.000 1.041 594 S CA 1.254 59.461 58.200 0.011 0.000 1.026 594 S CB -0.763 62.444 63.200 0.012 0.000 0.845 594 S HN 0.845 nan 8.310 nan 0.000 0.465 595 G N 2.794 111.590 108.800 -0.006 0.000 2.604 595 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.216 595 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.216 595 G C 0.590 175.472 174.900 -0.030 0.000 1.265 595 G CA 1.078 46.167 45.100 -0.017 0.000 0.804 595 G HN 0.433 nan 8.290 nan 0.000 0.579 596 M N -0.019 119.560 119.600 -0.036 0.000 2.185 596 M HA 0.138 4.618 4.480 -0.000 0.000 0.308 596 M C 1.348 177.601 176.300 -0.078 0.000 0.967 596 M CA 0.778 56.042 55.300 -0.060 0.000 1.027 596 M CB -0.161 32.410 32.600 -0.049 0.000 1.463 596 M HN 0.432 nan 8.290 nan 0.000 0.431 597 L N -1.142 119.995 121.223 -0.144 0.000 3.467 597 L HA -0.457 3.883 4.340 -0.000 0.000 0.185 597 L C 1.700 178.500 176.870 -0.118 0.000 4.356 597 L CA 1.465 56.194 54.840 -0.185 0.000 0.777 597 L CB -1.910 40.077 42.059 -0.121 0.000 3.491 597 L HN 0.815 nan 8.230 nan 0.000 0.841 598 S N -0.720 114.942 115.700 -0.063 0.000 2.383 598 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 598 S C 1.642 176.210 174.600 -0.053 0.000 1.030 598 S CA 2.150 60.324 58.200 -0.042 0.000 1.002 598 S CB -0.106 63.082 63.200 -0.021 0.000 0.829 598 S HN 0.563 nan 8.310 nan 0.000 0.467 599 A N 1.528 124.309 122.820 -0.064 0.000 1.831 599 A HA 0.124 4.444 4.320 -0.000 0.000 0.213 599 A C 2.070 179.605 177.584 -0.083 0.000 1.223 599 A CA 1.373 53.372 52.037 -0.064 0.000 0.604 599 A CB -1.283 17.680 19.000 -0.062 0.000 0.878 599 A HN 0.560 nan 8.150 nan 0.000 0.450 600 L N 0.553 121.704 121.223 -0.120 0.000 1.980 600 L HA -0.310 4.030 4.340 -0.000 0.000 0.232 600 L C 2.681 179.473 176.870 -0.129 0.000 1.092 600 L CA 4.072 58.822 54.840 -0.152 0.000 0.808 600 L CB -1.492 40.401 42.059 -0.278 0.000 0.908 600 L HN 0.658 nan 8.230 nan 0.000 0.442 601 T N -2.112 112.352 114.554 -0.150 0.000 2.536 601 T HA -0.338 4.012 4.350 -0.000 0.000 0.263 601 T C 2.008 176.668 174.700 -0.065 0.000 1.115 601 T CA 2.840 64.878 62.100 -0.104 0.000 1.180 601 T CB -1.729 67.083 68.868 -0.092 0.000 0.864 601 T HN 0.730 nan 8.240 nan 0.000 0.419 602 S N 1.621 117.288 115.700 -0.054 0.000 2.461 602 S HA 0.025 4.495 4.470 -0.000 0.000 0.246 602 S C 2.116 176.697 174.600 -0.032 0.000 1.007 602 S CA 1.204 59.382 58.200 -0.037 0.000 0.976 602 S CB -1.377 61.804 63.200 -0.032 0.000 0.763 602 S HN 0.870 nan 8.310 nan 0.000 0.508 603 G N 1.339 110.117 108.800 -0.037 0.000 2.518 603 G HA2 0.006 3.966 3.960 -0.000 0.000 0.213 603 G HA3 0.006 3.966 3.960 -0.000 0.000 0.213 603 G C 1.347 176.235 174.900 -0.019 0.000 1.226 603 G CA 0.551 45.637 45.100 -0.025 0.000 0.822 603 G HN 0.443 nan 8.290 nan 0.000 0.546 604 V N 2.207 122.105 119.914 -0.026 0.000 2.418 604 V HA -0.230 3.890 4.120 -0.000 0.000 0.258 604 V C 3.009 179.095 176.094 -0.014 0.000 1.088 604 V CA 2.138 64.428 62.300 -0.017 0.000 1.091 604 V CB -1.309 30.499 31.823 -0.024 0.000 0.669 604 V HN 0.471 nan 8.190 nan 0.000 0.461 605 G N 0.359 109.146 108.800 -0.021 0.000 2.666 605 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.215 605 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.215 605 G C 1.779 176.672 174.900 -0.011 0.000 1.294 605 G CA 2.077 47.167 45.100 -0.017 0.000 0.811 605 G HN 0.579 nan 8.290 nan 0.000 0.594 606 T N -0.162 114.385 114.554 -0.011 0.000 2.822 606 T HA 0.035 4.385 4.350 -0.000 0.000 0.270 606 T C 2.460 177.158 174.700 -0.003 0.000 1.064 606 T CA 2.131 64.227 62.100 -0.007 0.000 1.131 606 T CB -0.434 68.430 68.868 -0.006 0.000 0.858 606 T HN 0.509 nan 8.240 nan 0.000 0.483 607 A N 1.702 124.522 122.820 -0.002 0.000 1.908 607 A HA 0.128 4.448 4.320 -0.000 0.000 0.218 607 A C 2.515 180.101 177.584 0.003 0.000 1.181 607 A CA 1.577 53.616 52.037 0.003 0.000 0.627 607 A CB -0.797 18.207 19.000 0.006 0.000 0.818 607 A HN 0.603 nan 8.150 nan 0.000 0.445 608 L N -1.559 119.664 121.223 0.001 0.000 2.156 608 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 608 L C 1.836 178.706 176.870 0.000 0.000 1.095 608 L CA 0.722 55.563 54.840 0.002 0.000 0.770 608 L CB -0.365 41.695 42.059 0.001 0.000 0.914 608 L HN 0.262 nan 8.230 nan 0.000 0.439 609 R N 0.339 120.838 120.500 -0.002 0.000 3.907 609 R HA 0.018 4.358 4.340 -0.000 0.000 0.241 609 R C 0.262 176.560 176.300 -0.003 0.000 1.784 609 R CA 0.669 56.767 56.100 -0.003 0.000 1.509 609 R CB -0.231 30.066 30.300 -0.005 0.000 1.275 609 R HN 0.414 nan 8.270 nan 0.000 0.642 610 T N -7.737 106.817 114.554 -0.001 0.000 3.669 610 T HA -0.015 4.335 4.350 -0.000 0.000 0.294 610 T C 1.672 176.373 174.700 0.001 0.000 0.884 610 T CA 0.045 62.145 62.100 -0.000 0.000 0.815 610 T CB -0.032 68.835 68.868 -0.000 0.000 1.215 610 T HN 0.238 nan 8.240 nan 0.000 0.815 611 G N 1.724 110.526 108.800 0.003 0.000 2.717 611 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.224 611 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.224 611 G C 1.032 175.935 174.900 0.005 0.000 1.088 611 G CA 1.570 46.673 45.100 0.005 0.000 0.734 611 G HN 0.943 nan 8.290 nan 0.000 0.616 612 S N -2.705 112.998 115.700 0.004 0.000 4.158 612 S HA -0.226 4.244 4.470 -0.000 0.000 0.615 612 S C 0.895 175.499 174.600 0.007 0.000 1.866 612 S CA 1.397 59.600 58.200 0.005 0.000 4.249 612 S CB -1.352 61.852 63.200 0.006 0.000 0.202 612 S HN 1.007 nan 8.310 nan 0.000 0.455 613 L N -1.253 119.978 121.223 0.013 0.000 1.967 613 L HA 0.401 4.741 4.340 -0.000 0.000 0.222 613 L C 1.101 177.986 176.870 0.024 0.000 1.189 613 L CA 0.989 55.840 54.840 0.018 0.000 1.303 613 L CB -0.474 41.598 42.059 0.023 0.000 2.607 613 L HN 0.588 nan 8.230 nan 0.000 0.524 614 G N 0.463 109.277 108.800 0.023 0.000 3.530 614 G HA2 0.012 3.972 3.960 -0.000 0.000 0.269 614 G HA3 0.012 3.972 3.960 -0.000 0.000 0.269 614 G C 0.930 175.839 174.900 0.016 0.000 1.314 614 G CA 0.167 45.281 45.100 0.023 0.000 1.441 614 G HN 0.181 nan 8.290 nan 0.000 0.595 615 K N 0.332 120.741 120.400 0.015 0.000 2.283 615 K HA -0.020 4.300 4.320 -0.000 0.000 0.202 615 K C 2.244 178.851 176.600 0.012 0.000 1.048 615 K CA 0.960 57.254 56.287 0.012 0.000 0.948 615 K CB -0.225 32.282 32.500 0.012 0.000 0.742 615 K HN 0.267 nan 8.250 nan 0.000 0.458 616 G N 0.865 109.674 108.800 0.015 0.000 2.708 616 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.210 616 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.210 616 G C 1.182 176.089 174.900 0.012 0.000 1.141 616 G CA 0.254 45.363 45.100 0.015 0.000 0.788 616 G HN 0.245 nan 8.290 nan 0.000 0.531 617 V N 1.106 121.026 119.914 0.010 0.000 2.913 617 V HA -0.014 4.106 4.120 -0.000 0.000 0.260 617 V C 1.370 177.466 176.094 0.004 0.000 1.098 617 V CA 1.273 63.577 62.300 0.006 0.000 1.121 617 V CB -0.633 31.193 31.823 0.004 0.000 0.714 617 V HN 0.270 nan 8.190 nan 0.000 0.487 618 T N 2.270 116.826 114.554 0.004 0.000 2.784 618 T HA 0.067 4.417 4.350 -0.000 0.000 0.291 618 T C 0.418 175.120 174.700 0.004 0.000 0.942 618 T CA 0.494 62.596 62.100 0.003 0.000 1.161 618 T CB 0.066 68.937 68.868 0.004 0.000 0.885 618 T HN 0.619 nan 8.240 nan 0.000 0.534 619 D N 1.442 121.843 120.400 0.001 0.000 2.811 619 D HA -0.220 4.420 4.640 -0.000 0.000 0.231 619 D C 0.959 177.261 176.300 0.004 0.000 1.157 619 D CA 0.838 54.839 54.000 0.002 0.000 0.716 619 D CB -0.994 39.809 40.800 0.004 0.000 1.077 619 D HN 0.757 nan 8.370 nan 0.000 0.428 620 A N -0.240 122.582 122.820 0.004 0.000 2.259 620 A HA 0.106 4.426 4.320 -0.000 0.000 0.208 620 A C 2.129 179.715 177.584 0.004 0.000 1.201 620 A CA 1.313 53.353 52.037 0.005 0.000 0.824 620 A CB 0.244 19.248 19.000 0.006 0.000 0.838 620 A HN 0.286 nan 8.150 nan 0.000 0.485 621 S N -0.117 115.585 115.700 0.002 0.000 2.355 621 S HA -0.063 4.407 4.470 -0.000 0.000 0.216 621 S C 1.724 176.325 174.600 0.002 0.000 1.037 621 S CA 1.061 59.262 58.200 0.002 0.000 0.955 621 S CB -0.242 62.958 63.200 -0.000 0.000 0.877 621 S HN 0.625 nan 8.310 nan 0.000 0.488 622 E N 0.925 121.127 120.200 0.002 0.000 2.150 622 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 622 E C 2.096 178.699 176.600 0.004 0.000 0.985 622 E CA 0.645 57.047 56.400 0.003 0.000 0.814 622 E CB -0.076 29.625 29.700 0.003 0.000 0.752 622 E HN 0.441 nan 8.360 nan 0.000 0.466 623 K N 1.152 121.555 120.400 0.005 0.000 2.057 623 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 623 K C 2.209 178.813 176.600 0.007 0.000 1.049 623 K CA 0.698 56.989 56.287 0.006 0.000 0.931 623 K CB -0.024 32.480 32.500 0.008 0.000 0.714 623 K HN 0.144 nan 8.250 nan 0.000 0.440 624 L N 0.901 122.128 121.223 0.006 0.000 2.005 624 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 624 L C 2.671 179.544 176.870 0.006 0.000 1.072 624 L CA 1.227 56.071 54.840 0.006 0.000 0.744 624 L CB -0.411 41.651 42.059 0.005 0.000 0.895 624 L HN 0.227 nan 8.230 nan 0.000 0.433 625 R N 0.457 120.960 120.500 0.005 0.000 2.159 625 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 625 R C 1.833 178.136 176.300 0.005 0.000 1.131 625 R CA 1.480 57.583 56.100 0.005 0.000 0.982 625 R CB -0.349 29.953 30.300 0.004 0.000 0.868 625 R HN 0.537 nan 8.270 nan 0.000 0.453 626 A N 0.489 123.312 122.820 0.005 0.000 1.970 626 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 626 A C 2.191 179.778 177.584 0.005 0.000 1.170 626 A CA 0.525 52.564 52.037 0.004 0.000 0.645 626 A CB -0.233 18.770 19.000 0.004 0.000 0.816 626 A HN 0.248 nan 8.150 nan 0.000 0.447 627 R N -0.584 119.921 120.500 0.007 0.000 2.092 627 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 627 R C 2.285 178.591 176.300 0.011 0.000 1.119 627 R CA 1.521 57.627 56.100 0.010 0.000 0.970 627 R CB -0.248 30.059 30.300 0.013 0.000 0.864 627 R HN 0.645 nan 8.270 nan 0.000 0.440 628 Q N -0.235 119.572 119.800 0.011 0.000 2.167 628 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 628 Q C 2.132 178.138 176.000 0.010 0.000 0.970 628 Q CA 1.519 57.330 55.803 0.012 0.000 0.855 628 Q CB 0.000 28.745 28.738 0.011 0.000 0.911 628 Q HN 0.164 nan 8.270 nan 0.000 0.438 629 S N 0.161 115.865 115.700 0.006 0.000 2.382 629 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 629 S C 1.786 176.385 174.600 -0.001 0.000 1.027 629 S CA 0.867 59.069 58.200 0.003 0.000 0.991 629 S CB -0.071 63.130 63.200 0.001 0.000 0.823 629 S HN 0.328 nan 8.310 nan 0.000 0.469 630 L N 0.370 121.592 121.223 -0.001 0.000 2.072 630 L HA -0.013 4.327 4.340 -0.000 0.000 0.205 630 L C 2.966 179.830 176.870 -0.010 0.000 1.079 630 L CA 1.622 56.457 54.840 -0.009 0.000 0.752 630 L CB -1.011 41.043 42.059 -0.007 0.000 0.906 630 L HN 0.368 nan 8.230 nan 0.000 0.436 631 T N -0.880 113.677 114.554 0.005 0.000 2.881 631 T HA -0.118 4.232 4.350 -0.000 0.000 0.270 631 T C 1.800 176.509 174.700 0.015 0.000 1.068 631 T CA 0.935 63.044 62.100 0.017 0.000 1.131 631 T CB 0.025 68.916 68.868 0.038 0.000 0.871 631 T HN 0.055 nan 8.240 nan 0.000 0.479 632 V N 1.094 121.015 119.914 0.011 0.000 2.453 632 V HA 0.051 4.171 4.120 -0.000 0.000 0.247 632 V C 2.857 178.954 176.094 0.004 0.000 1.048 632 V CA 1.592 63.900 62.300 0.014 0.000 1.049 632 V CB -0.866 30.965 31.823 0.012 0.000 0.672 632 V HN 0.603 nan 8.190 nan 0.000 0.457 633 A N -0.378 122.436 122.820 -0.009 0.000 1.970 633 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 633 A C 2.278 179.841 177.584 -0.035 0.000 1.170 633 A CA 1.658 53.685 52.037 -0.016 0.000 0.645 633 A CB -0.330 18.656 19.000 -0.024 0.000 0.816 633 A HN 0.503 nan 8.150 nan 0.000 0.447 634 K N -0.553 119.805 120.400 -0.069 0.000 2.217 634 K HA -0.171 4.149 4.320 -0.000 0.000 0.202 634 K C 2.116 178.567 176.600 -0.249 0.000 1.051 634 K CA 1.433 57.620 56.287 -0.166 0.000 0.952 634 K CB -0.062 32.323 32.500 -0.190 0.000 0.736 634 K HN 0.369 nan 8.250 nan 0.000 0.453 635 Q N 0.878 120.634 119.800 -0.074 0.000 2.119 635 Q HA -0.030 4.310 4.340 -0.000 0.000 0.201 635 Q C 1.682 177.703 176.000 0.034 0.000 0.972 635 Q CA 1.839 57.668 55.803 0.044 0.000 0.847 635 Q CB -0.359 28.433 28.738 0.089 0.000 0.903 635 Q HN 0.368 nan 8.270 nan 0.000 0.433 636 A N -0.123 122.707 122.820 0.017 0.000 1.933 636 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 636 A C 2.049 179.672 177.584 0.065 0.000 1.175 636 A CA 1.340 53.399 52.037 0.037 0.000 0.628 636 A CB -1.018 18.001 19.000 0.031 0.000 0.814 636 A HN 0.624 nan 8.150 nan 0.000 0.444 637 F N -0.448 119.417 119.950 -0.142 0.000 2.039 637 F HA -0.163 4.364 4.527 -0.000 0.000 0.294 637 F C 1.926 177.689 175.800 -0.062 0.000 1.130 637 F CA 1.696 59.602 58.000 -0.156 0.000 1.189 637 F CB -0.274 38.548 39.000 -0.297 0.000 0.983 637 F HN 0.198 nan 8.300 nan 0.000 0.471 638 F N 1.658 121.364 119.950 -0.407 0.000 2.184 638 F HA -0.264 4.263 4.527 -0.000 0.000 0.301 638 F C 2.308 177.921 175.800 -0.312 0.000 1.076 638 F CA 1.369 59.061 58.000 -0.513 0.000 1.295 638 F CB -1.357 37.507 39.000 -0.226 0.000 1.026 638 F HN 0.166 nan 8.300 nan 0.000 0.494 639 D N -0.367 120.045 120.400 0.019 0.000 2.178 639 D HA -0.150 4.490 4.640 -0.000 0.000 0.202 639 D C 2.132 178.421 176.300 -0.019 0.000 0.974 639 D CA 1.065 55.072 54.000 0.011 0.000 0.841 639 D CB -0.230 40.588 40.800 0.030 0.000 0.953 639 D HN 0.442 nan 8.370 nan 0.000 0.478 640 Q N -0.044 119.733 119.800 -0.039 0.000 2.123 640 Q HA 0.013 4.353 4.340 -0.000 0.000 0.196 640 Q C 2.352 178.346 176.000 -0.010 0.000 0.958 640 Q CA 0.284 56.085 55.803 -0.003 0.000 0.841 640 Q CB 0.325 29.101 28.738 0.063 0.000 0.915 640 Q HN 0.195 nan 8.270 nan 0.000 0.455 641 I N 0.966 121.426 120.570 -0.183 0.000 2.315 641 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 641 I C 2.152 178.239 176.117 -0.050 0.000 1.125 641 I CA 1.748 62.902 61.300 -0.242 0.000 1.392 641 I CB -1.242 36.336 38.000 -0.703 0.000 1.065 641 I HN 0.328 nan 8.210 nan 0.000 0.424 642 G N 0.047 108.806 108.800 -0.069 0.000 2.484 642 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 642 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 642 G C 1.718 176.629 174.900 0.018 0.000 1.130 642 G CA 1.006 46.093 45.100 -0.021 0.000 0.784 642 G HN 0.550 nan 8.290 nan 0.000 0.543 643 S N 0.227 115.938 115.700 0.019 0.000 2.541 643 S HA 0.155 4.625 4.470 -0.000 0.000 0.219 643 S C 2.232 176.825 174.600 -0.012 0.000 1.025 643 S CA 0.281 58.483 58.200 0.004 0.000 0.917 643 S CB -0.574 62.619 63.200 -0.012 0.000 0.859 643 S HN 0.152 nan 8.310 nan 0.000 0.584 644 L N -0.151 121.042 121.223 -0.049 0.000 1.991 644 L HA -0.112 4.228 4.340 -0.000 0.000 0.221 644 L C 1.064 177.770 176.870 -0.273 0.000 1.079 644 L CA 1.483 56.175 54.840 -0.247 0.000 0.778 644 L CB -0.742 41.054 42.059 -0.438 0.000 0.893 644 L HN 0.469 nan 8.230 nan 0.000 0.437 645 W N 1.811 123.116 121.300 0.008 0.000 2.175 645 W HA 0.274 4.934 4.660 -0.000 0.000 0.350 645 W C -1.970 174.541 176.519 -0.014 0.000 0.877 645 W CA -1.868 55.493 57.345 0.026 0.000 1.544 645 W CB -0.273 29.248 29.460 0.102 0.000 1.585 645 W HN 0.049 nan 8.180 nan 0.000 0.347 646 P HA 0.000 nan 4.420 nan 0.000 0.216 646 P CA 0.000 63.140 63.100 0.067 0.000 0.800 646 P CB 0.000 31.714 31.700 0.023 0.000 0.726