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_B 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 -1.599 113.113 114.554 0.263 0.000 2.700 44 T HA 0.673 5.023 4.350 -0.000 0.000 0.307 44 T C -0.358 174.523 174.700 0.303 0.000 1.580 44 T CA 0.343 62.636 62.100 0.322 0.000 0.992 44 T CB 1.457 70.431 68.868 0.178 0.000 1.577 44 T HN 1.311 nan 8.240 nan 0.000 0.496 45 G N 1.325 110.302 108.800 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 -1.037 174.112 174.900 0.414 0.000 1.357 45 G CA -0.658 44.633 45.100 0.318 0.000 0.866 45 G HN 0.818 nan 8.290 nan 0.000 0.548 46 K N -0.281 120.368 120.400 0.415 0.000 2.202 46 K HA 0.502 4.822 4.320 -0.000 0.000 0.264 46 K C 0.518 177.431 176.600 0.522 0.000 1.010 46 K CA -0.381 56.119 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 0.618 122.094 121.223 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 42.434 42.059 -0.094 0.000 1.149 47 L HN 0.461 nan 8.230 nan 0.000 0.442 48 W N 3.582 124.926 121.300 0.073 0.000 2.736 48 W HA 0.784 5.444 4.660 -0.000 0.000 0.355 48 W C -0.348 176.213 176.519 0.069 0.000 1.102 48 W CA -0.876 56.515 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 0.501 121.177 120.500 0.294 0.000 2.668 49 R HA 0.331 4.671 4.340 -0.000 0.000 0.272 49 R C -2.700 173.718 176.300 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 0.258 63.444 63.100 0.143 0.000 0.981 50 P CB 0.362 32.148 31.700 0.143 0.000 1.044 51 V N 3.732 123.699 119.914 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 2.681 65.017 62.300 0.060 0.000 1.064 51 V CB -1.079 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 -1.496 107.333 108.800 0.047 0.000 2.920 52 G HA2 0.132 4.092 3.960 -0.000 0.000 0.208 52 G HA3 0.132 4.092 3.960 -0.000 0.000 0.208 52 G C 0.461 175.381 174.900 0.033 0.000 1.159 52 G CA 0.888 46.009 45.100 0.035 0.000 0.784 52 G HN 0.517 nan 8.290 nan 0.000 0.535 53 T N -0.953 113.626 114.554 0.041 0.000 0.541 53 T HA -0.176 4.174 4.350 -0.000 0.000 0.774 53 T C 1.214 175.939 174.700 0.041 0.000 0.992 53 T CA 0.373 62.496 62.100 0.038 0.000 4.077 53 T CB -1.152 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 1.196 175.832 174.600 0.060 0.000 1.845 54 S CA 1.440 59.666 58.200 0.044 0.000 4.227 54 S CB -1.182 62.035 63.200 0.029 0.000 0.452 54 S HN 2.212 nan 8.310 nan 0.000 0.455 55 V N 3.661 123.600 119.914 0.042 0.000 2.452 55 V HA 0.396 4.516 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 0.523 62.843 62.300 0.034 0.000 1.116 55 V CB -0.177 31.656 31.823 0.015 0.000 0.954 55 V HN 0.972 nan 8.190 nan 0.000 0.473 56 A N 5.956 128.798 122.820 0.037 0.000 2.366 56 A HA 0.689 5.009 4.320 -0.000 0.000 0.322 56 A C 0.416 177.933 177.584 -0.112 0.000 1.397 56 A CA -0.323 51.709 52.037 -0.008 0.000 0.984 56 A CB 0.317 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 1.516 116.022 114.554 -0.079 0.000 2.889 57 T HA 0.405 4.755 4.350 -0.000 0.000 0.278 57 T C 0.813 175.447 174.700 -0.111 0.000 0.995 57 T CA -0.466 61.578 62.100 -0.094 0.000 0.966 57 T CB 0.656 69.493 68.868 -0.050 0.000 1.237 57 T HN 0.411 nan 8.240 nan 0.000 0.591 58 I N 2.274 122.784 120.570 -0.101 0.000 3.309 58 I HA 0.109 4.279 4.170 -0.000 0.000 0.287 58 I C 0.180 176.268 176.117 -0.048 0.000 1.221 58 I CA 0.390 61.631 61.300 -0.099 0.000 1.575 58 I CB -0.919 37.024 38.000 -0.095 0.000 1.254 58 I HN 0.679 nan 8.210 nan 0.000 0.600 59 D N -1.913 118.474 120.400 -0.021 0.000 1.999 59 D HA -0.155 4.485 4.640 -0.000 0.000 0.758 59 D C 1.196 177.519 176.300 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 0.587 116.302 115.700 0.026 0.000 2.710 60 S HA 0.344 4.814 4.470 -0.000 0.000 0.224 60 S C 0.564 175.211 174.600 0.080 0.000 0.948 60 S CA -0.553 57.674 58.200 0.043 0.000 0.949 60 S CB -0.493 62.724 63.200 0.028 0.000 0.778 60 S HN 0.280 nan 8.310 nan 0.000 0.498 61 L N 0.802 122.090 121.223 0.109 0.000 2.397 61 L HA 0.889 5.229 4.340 -0.000 0.000 0.266 61 L C 0.059 177.085 176.870 0.261 0.000 1.040 61 L CA -0.793 54.170 54.840 0.205 0.000 0.800 61 L CB 1.513 43.700 42.059 0.213 0.000 1.324 61 L HN 0.320 nan 8.230 nan 0.000 0.469 62 A N 0.847 123.881 122.820 0.357 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 -0.727 51.433 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 2.689 122.987 120.570 -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 0.532 61.403 61.300 -0.714 0.000 1.409 63 I CB 0.159 37.682 38.000 -0.794 0.000 1.374 63 I HN 0.381 nan 8.210 nan 0.000 0.545 64 V N 6.813 126.649 119.914 -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 0.333 62.624 62.300 -0.014 0.000 1.349 64 V CB -0.490 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 2.938 118.640 115.700 0.003 0.000 2.707 65 S HA 0.642 5.112 4.470 -0.000 0.000 0.276 65 S C -0.370 174.277 174.600 0.077 0.000 1.179 65 S CA -0.174 58.041 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 -0.164 120.280 120.400 0.072 0.000 3.038 66 D HA 0.006 4.646 4.640 -0.000 0.000 0.351 66 D C 0.429 176.745 176.300 0.026 0.000 1.442 66 D CA -0.510 53.535 54.000 0.075 0.000 0.802 66 D CB -0.249 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 0.889 177.019 176.300 -0.283 0.000 1.161 67 R CA 1.640 57.627 56.100 -0.188 0.000 1.007 67 R CB -0.656 29.464 30.300 -0.300 0.000 0.867 67 R HN 0.205 nan 8.270 nan 0.000 0.472 68 F N 0.091 120.037 119.950 -0.007 0.000 2.704 68 F HA 0.397 4.924 4.527 -0.000 0.000 0.304 68 F C 1.453 177.157 175.800 -0.159 0.000 1.094 68 F CA 0.658 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 0.323 109.124 108.800 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 -0.888 173.907 174.900 -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 -0.281 119.404 119.800 -0.191 0.000 2.307 70 Q HA 0.547 4.887 4.340 -0.000 0.000 0.262 70 Q C -1.108 174.750 176.000 -0.237 0.000 0.961 70 Q CA -0.578 55.119 55.803 -0.178 0.000 0.882 70 Q CB 1.648 30.327 28.738 -0.099 0.000 1.264 70 Q HN 0.478 nan 8.270 nan 0.000 0.446 71 Y N 1.338 121.660 120.300 0.037 0.000 2.605 71 Y HA 0.034 4.584 4.550 -0.000 0.000 0.336 71 Y C 0.779 176.826 175.900 0.245 0.000 1.111 71 Y CA -0.063 58.104 58.100 0.113 0.000 1.422 71 Y CB 0.461 38.906 38.460 -0.025 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 0.369 0.000 2.475 72 S HA 0.471 4.941 4.470 -0.000 0.000 0.298 72 S C -0.701 174.217 174.600 0.529 0.000 1.119 72 S CA -0.947 57.495 58.200 0.404 0.000 1.085 72 S CB 0.776 64.111 63.200 0.224 0.000 1.028 72 S HN 0.448 nan 8.310 nan 0.000 0.489 73 F N 3.253 123.404 119.950 0.335 0.000 2.563 73 F HA 0.371 4.898 4.527 -0.000 0.000 0.363 73 F C -0.080 175.655 175.800 -0.109 0.000 1.123 73 F CA -0.684 57.237 58.000 -0.132 0.000 1.307 73 F CB 0.621 39.528 39.000 -0.155 0.000 1.115 73 F HN 0.434 nan 8.300 nan 0.000 0.592 74 V N 6.872 126.170 119.914 -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 -1.198 0.000 1.106 74 V CA -0.884 60.945 62.300 -0.786 0.000 0.947 74 V CB -0.524 31.078 31.823 -0.368 0.000 1.164 74 V HN 0.829 nan 8.190 nan 0.000 0.461 75 N N 1.921 119.927 118.700 -1.157 0.000 2.329 75 N HA -0.082 4.658 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 -0.067 52.560 53.050 -0.706 0.000 0.866 75 N CB 0.731 39.080 38.487 -0.230 0.000 1.102 75 N HN 0.322 nan 8.380 nan 0.000 0.440 76 E N 1.314 121.375 120.200 -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 2.118 58.422 56.400 -0.159 0.000 0.847 76 E CB -1.011 28.639 29.700 -0.082 0.000 0.755 76 E HN 0.861 nan 8.360 nan 0.000 0.459 77 G N 0.585 109.290 108.800 -0.158 0.000 2.422 77 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 77 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 77 G C 1.574 176.336 174.900 -0.231 0.000 1.140 77 G CA 0.821 45.824 45.100 -0.160 0.000 0.775 77 G HN 0.295 nan 8.290 nan 0.000 0.545 78 M N 0.826 120.249 119.600 -0.294 0.000 2.549 78 M HA 0.067 4.547 4.480 -0.000 0.000 0.260 78 M C 2.354 178.305 176.300 -0.580 0.000 1.076 78 M CA 0.903 55.929 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 -0.440 119.850 120.500 -0.350 0.000 2.210 79 R HA -0.076 4.264 4.340 -0.000 0.000 0.203 79 R C 1.360 177.561 176.300 -0.165 0.000 1.010 79 R CA 0.940 56.904 56.100 -0.227 0.000 1.008 79 R CB -0.010 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 1.542 178.079 176.600 -0.105 0.000 0.988 80 E CA 2.047 58.373 56.400 -0.124 0.000 0.804 80 E CB -0.144 29.482 29.700 -0.123 0.000 0.745 80 E HN 0.336 nan 8.360 nan 0.000 0.458 81 T N -0.044 114.393 114.554 -0.195 0.000 2.639 81 T HA -0.084 4.266 4.350 -0.000 0.000 0.261 81 T C 1.705 176.444 174.700 0.066 0.000 1.053 81 T CA 1.282 63.308 62.100 -0.124 0.000 1.158 81 T CB -0.681 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 1.186 121.130 119.950 -0.010 0.000 2.307 82 F HA -0.106 4.421 4.527 -0.000 0.000 0.301 82 F C 2.911 178.735 175.800 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 0.187 nan 8.300 nan 0.000 0.526 83 S N 0.016 115.832 115.700 0.193 0.000 2.388 83 S HA -0.095 4.375 4.470 -0.000 0.000 0.223 83 S C 1.986 176.698 174.600 0.187 0.000 1.034 83 S CA 0.611 58.907 58.200 0.159 0.000 0.963 83 S CB -0.056 63.188 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 0.038 4.358 4.320 -0.000 0.000 0.203 84 K C 2.004 178.745 176.600 0.235 0.000 1.050 84 K CA 0.956 57.344 56.287 0.169 0.000 0.945 84 K CB -0.209 32.341 32.500 0.084 0.000 0.732 84 K HN 0.373 nan 8.250 nan 0.000 0.451 85 A N 0.854 123.799 122.820 0.208 0.000 1.874 85 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 85 A C 1.978 179.672 177.584 0.183 0.000 1.189 85 A CA 0.831 52.979 52.037 0.185 0.000 0.615 85 A CB -0.437 18.668 19.000 0.176 0.000 0.830 85 A HN 0.202 nan 8.150 nan 0.000 0.443 86 L N -1.768 119.572 121.223 0.195 0.000 2.093 86 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 86 L C 2.472 179.461 176.870 0.198 0.000 1.085 86 L CA 1.352 56.300 54.840 0.180 0.000 0.755 86 L CB -0.561 41.609 42.059 0.186 0.000 0.904 86 L HN 0.501 nan 8.230 nan 0.000 0.435 87 F N 1.667 121.680 119.950 0.104 0.000 2.126 87 F HA -0.283 4.244 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 2.043 60.094 58.000 0.086 0.000 1.255 87 F CB -0.285 38.748 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 -0.117 4.523 4.640 -0.000 0.000 0.216 88 D C 1.984 178.371 176.300 0.144 0.000 0.968 88 D CA 1.167 55.175 54.000 0.014 0.000 0.894 88 D CB -0.164 40.734 40.800 0.164 0.000 0.909 88 D HN 0.458 nan 8.370 nan 0.000 0.520 89 I N -0.388 120.284 120.570 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 0.017 61.517 61.300 0.332 0.000 1.446 89 I CB -0.250 37.900 38.000 0.249 0.000 1.176 89 I HN -0.058 nan 8.210 nan 0.000 0.446 90 N N 1.375 120.159 118.700 0.139 0.000 2.137 90 N HA -0.257 4.483 4.740 -0.000 0.000 0.190 90 N C 1.883 177.431 175.510 0.062 0.000 1.017 90 N CA 1.539 54.649 53.050 0.101 0.000 0.859 90 N CB -0.386 38.115 38.487 0.022 0.000 1.002 90 N HN 0.355 nan 8.380 nan 0.000 0.428 91 M N -0.464 119.061 119.600 -0.125 0.000 2.116 91 M HA -0.198 4.282 4.480 -0.000 0.000 0.255 91 M C 0.644 176.868 176.300 -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 0.422 121.760 121.300 0.063 0.000 3.468 92 W HA 0.011 4.671 4.660 -0.000 0.000 0.327 92 W C 1.884 178.419 176.519 0.028 0.000 1.259 92 W CA -0.359 56.989 57.345 0.005 0.000 1.706 92 W CB -0.408 29.057 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 -0.150 175.910 176.000 0.100 0.000 0.984 93 Q CA 1.998 57.953 55.803 0.253 0.000 0.846 93 Q CB -1.466 27.357 28.738 0.142 0.000 0.902 93 Q HN 0.093 nan 8.270 nan 0.000 0.421 94 P HA -0.146 nan 4.420 nan 0.000 0.221 94 P C 0.908 178.051 177.300 -0.262 0.000 1.145 94 P CA 0.876 63.910 63.100 -0.109 0.000 0.795 94 P CB 0.124 31.750 31.700 -0.124 0.000 0.775 95 L N -2.408 118.571 121.223 -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 0.777 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 -0.159 119.545 119.950 -0.409 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 1.190 59.078 58.000 -0.188 0.000 1.290 96 F CB -0.419 38.605 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 0.011 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 2.218 179.708 177.584 -0.156 0.000 1.191 98 A CA 2.183 54.118 52.037 -0.170 0.000 0.638 98 A CB -1.177 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 -4.557 109.800 114.554 -0.328 0.000 3.312 99 T HA 0.279 4.629 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 0.058 68.763 68.868 -0.271 0.000 1.049 99 T HN 0.339 nan 8.240 nan 0.000 0.583 100 K N 0.142 120.562 120.400 0.034 0.000 3.184 100 K HA -0.189 4.131 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 1.322 57.652 56.287 0.073 0.000 0.897 100 K CB -2.365 30.174 32.500 0.064 0.000 1.218 100 K HN 0.690 nan 8.250 nan 0.000 0.441 101 T N -1.671 113.002 114.554 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 1.190 63.453 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 -0.199 108.744 108.800 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 0.618 175.447 174.900 -0.117 0.000 1.247 102 G CA 0.933 45.907 45.100 -0.210 0.000 0.972 102 G HN 2.097 nan 8.290 nan 0.000 0.557 103 C N -2.907 116.303 119.300 -0.150 0.000 3.951 103 C HA 0.685 5.145 4.460 -0.000 0.000 0.395 103 C C 1.088 176.031 174.990 -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 0.298 4.258 3.960 -0.000 0.000 0.686 104 G HA3 0.298 4.258 3.960 -0.000 0.000 0.686 104 G C -3.172 171.687 174.900 -0.068 0.000 1.274 104 G CA -0.406 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 0.468 nan 4.420 nan 0.000 0.276 105 P C 0.125 177.419 177.300 -0.009 0.000 1.230 105 P CA -0.331 62.766 63.100 -0.005 0.000 0.776 105 P CB 0.525 32.240 31.700 0.024 0.000 0.888 106 I N 2.966 123.545 120.570 0.015 0.000 2.294 106 I HA 0.086 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 -0.486 60.846 61.300 0.052 0.000 1.277 106 I CB 0.267 38.335 38.000 0.113 0.000 1.434 106 I HN 0.001 nan 8.210 nan 0.000 0.498 107 V N 7.046 126.978 119.914 0.030 0.000 2.498 107 V HA 0.010 4.130 4.120 -0.000 0.000 0.279 107 V C 1.026 177.169 176.094 0.082 0.000 1.048 107 V CA -0.521 61.806 62.300 0.046 0.000 0.967 107 V CB 1.647 33.469 31.823 -0.002 0.000 0.988 107 V HN 0.634 nan 8.190 nan 0.000 0.473 108 L N 5.220 126.537 121.223 0.155 0.000 2.353 108 L HA -0.065 4.275 4.340 -0.000 0.000 0.220 108 L C 2.262 179.233 176.870 0.170 0.000 1.133 108 L CA 1.932 56.921 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 -2.423 113.316 115.700 0.065 0.000 2.720 109 S HA -0.025 4.445 4.470 -0.000 0.000 0.222 109 S C 1.723 176.291 174.600 -0.054 0.000 0.958 109 S CA 0.461 58.675 58.200 0.023 0.000 0.943 109 S CB -0.733 62.473 63.200 0.011 0.000 0.779 109 S HN 0.607 nan 8.310 nan 0.000 0.526 110 S N -0.261 115.338 115.700 -0.169 0.000 2.511 110 S HA 0.319 4.789 4.470 -0.000 0.000 0.214 110 S C 0.758 175.072 174.600 -0.478 0.000 0.997 110 S CA -0.486 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 2.964 122.907 119.950 -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 58.145 58.000 -0.025 0.000 1.329 111 F CB -0.129 38.847 39.000 -0.039 0.000 1.100 111 F HN 0.275 nan 8.300 nan 0.000 0.592 112 T N -2.105 112.547 114.554 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 1.528 70.480 68.868 0.140 0.000 1.432 112 T HN 0.103 nan 8.240 nan 0.000 0.586 113 T N -3.616 111.032 114.554 0.157 0.000 2.711 113 T HA 0.527 4.877 4.350 -0.000 0.000 0.302 113 T C -0.948 173.850 174.700 0.163 0.000 1.373 113 T CA -0.807 61.365 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 0.457 4.807 4.350 -0.000 0.000 0.259 114 T C 0.069 174.822 174.700 0.088 0.000 1.466 114 T CA -0.425 61.756 62.100 0.135 0.000 1.562 114 T CB -0.118 68.795 68.868 0.075 0.000 0.924 114 T HN 0.834 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 0.652 5.002 4.350 -0.000 0.000 0.290 115 T C 0.282 174.970 174.700 -0.020 0.000 1.005 115 T CA -0.856 61.153 62.100 -0.151 0.000 0.944 115 T CB 0.819 69.350 68.868 -0.561 0.000 1.147 115 T HN 0.469 nan 8.240 nan 0.000 0.534 116 S N -1.582 114.020 115.700 -0.163 0.000 2.543 116 S HA 0.806 5.276 4.470 -0.000 0.000 0.273 116 S C -0.352 174.129 174.600 -0.199 0.000 1.152 116 S CA -0.533 57.619 58.200 -0.080 0.000 0.910 116 S CB 1.829 64.999 63.200 -0.050 0.000 1.105 116 S HN 1.335 nan 8.310 nan 0.000 0.465 117 G N 0.772 109.449 108.800 -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 -0.361 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 -0.440 119.891 120.300 0.051 0.000 2.330 118 Y HA 0.593 5.143 4.550 -0.000 0.000 0.336 118 Y C 0.291 176.244 175.900 0.088 0.000 1.036 118 Y CA -0.692 57.420 58.100 0.021 0.000 1.125 118 Y CB 2.036 40.480 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 0.026 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 0.328 175.322 174.900 0.156 0.000 1.291 120 G CA 0.042 45.113 45.100 -0.048 0.000 0.834 120 G HN 1.093 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 1.154 178.912 177.584 0.290 0.000 1.169 121 A CA 1.878 54.054 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 1.764 nan 8.150 nan 0.000 0.474 122 T N -5.513 108.942 114.554 -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 -0.927 0.000 1.229 122 T CA 0.325 62.238 62.100 -0.311 0.000 1.044 122 T CB 1.154 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 2.893 125.091 122.820 -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 54.898 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 1.633 nan 8.150 nan 0.000 0.470 124 G N 0.154 108.791 108.800 -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 -0.046 120.209 120.400 -0.243 0.000 2.333 125 D HA 0.361 5.001 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 -0.201 0.000 0.873 125 D CB -0.177 40.540 40.800 -0.138 0.000 0.935 125 D HN 0.300 nan 8.370 nan 0.000 0.521 126 A N 0.219 122.781 122.820 -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 -0.449 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 0.002 121.011 121.223 -0.357 0.000 2.275 127 L HA -0.051 4.289 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 -0.547 41.286 42.059 -0.377 0.000 0.919 127 L HN 0.315 nan 8.230 nan 0.000 0.443 128 D N -0.722 119.578 120.400 -0.166 0.000 2.491 128 D HA 0.169 4.809 4.640 -0.000 0.000 0.228 128 D C 0.030 176.314 176.300 -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 1.293 120.009 118.700 0.028 0.000 2.628 129 N HA 0.104 4.844 4.740 -0.000 0.000 0.299 129 N C -2.755 172.821 175.510 0.110 0.000 1.834 129 N CA -0.804 52.267 53.050 0.034 0.000 0.871 129 N CB 1.400 39.876 38.487 -0.019 0.000 1.377 129 N HN 0.059 nan 8.380 nan 0.000 0.493 130 P HA -0.011 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 0.288 63.462 63.100 0.124 0.000 0.780 130 P CB 0.986 32.829 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 0.385 4.505 4.120 -0.000 0.000 0.295 131 V C -0.299 175.758 176.094 -0.063 0.000 1.029 131 V CA -0.199 62.038 62.300 -0.104 0.000 0.874 131 V CB 1.997 33.696 31.823 -0.207 0.000 0.985 131 V HN 0.466 nan 8.190 nan 0.000 0.438 132 T N 6.052 120.585 114.554 -0.035 0.000 2.771 132 T HA 0.383 4.733 4.350 -0.000 0.000 0.281 132 T C 0.247 174.969 174.700 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 1.701 120.440 118.700 0.065 0.000 2.725 133 N HA -0.130 4.610 4.740 -0.000 0.000 0.251 133 N C 0.593 176.200 175.510 0.161 0.000 1.031 133 N CA 0.964 54.075 53.050 0.102 0.000 0.720 133 N CB -0.788 37.731 38.487 0.053 0.000 0.930 133 N HN 0.913 nan 8.380 nan 0.000 0.543 134 G N -0.670 108.294 108.800 0.273 0.000 2.653 134 G HA2 0.405 4.365 3.960 -0.000 0.000 0.265 134 G HA3 0.405 4.365 3.960 -0.000 0.000 0.265 134 G C -0.006 175.038 174.900 0.239 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 0.654 120.611 119.914 0.071 0.000 2.313 135 V HA 0.662 4.782 4.120 -0.000 0.000 0.278 135 V C -1.102 174.944 176.094 -0.081 0.000 1.017 135 V CA -0.932 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 6.016 126.099 119.950 0.222 0.000 2.470 136 F HA 0.604 5.131 4.527 -0.000 0.000 0.329 136 F C 0.101 176.035 175.800 0.224 0.000 1.072 136 F CA -0.866 57.292 58.000 0.264 0.000 0.989 136 F CB 2.005 41.215 39.000 0.349 0.000 1.193 136 F HN 0.385 nan 8.300 nan 0.000 0.481 137 I N 2.105 122.895 120.570 0.368 0.000 2.389 137 I HA 0.360 4.530 4.170 -0.000 0.000 0.288 137 I C -0.152 176.045 176.117 0.133 0.000 0.999 137 I CA -0.438 61.000 61.300 0.230 0.000 1.129 137 I CB 1.013 39.108 38.000 0.157 0.000 1.288 137 I HN 0.717 nan 8.210 nan 0.000 0.444 138 S N 3.893 119.583 115.700 -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 -0.635 0.000 0.899 138 S HN 0.757 nan 8.310 nan 0.000 0.542 139 T N 1.638 116.077 114.554 -0.192 0.000 2.597 139 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 139 T C 1.835 176.511 174.700 -0.040 0.000 1.053 139 T CA 1.636 63.686 62.100 -0.084 0.000 1.165 139 T CB -0.715 68.110 68.868 -0.072 0.000 0.863 139 T HN 0.624 nan 8.240 nan 0.000 0.427 140 V N 1.217 121.134 119.914 0.004 0.000 2.660 140 V HA -0.196 3.924 4.120 -0.000 0.000 0.257 140 V C 2.372 178.497 176.094 0.051 0.000 1.088 140 V CA 1.745 64.080 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 -0.304 119.512 119.800 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 1.725 57.563 55.803 0.058 0.000 0.834 141 Q CB -0.312 28.475 28.738 0.082 0.000 0.906 141 Q HN 0.680 nan 8.270 nan 0.000 0.452 142 I N 0.456 120.983 120.570 -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 0.543 61.761 61.300 -0.136 0.000 1.458 142 I CB -0.093 37.868 38.000 -0.065 0.000 1.093 142 I HN 0.167 nan 8.210 nan 0.000 0.466 143 M N -0.000 119.531 119.600 -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 1.505 56.743 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 0.598 119.222 118.700 -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 0.882 53.853 53.050 -0.131 0.000 0.846 144 N CB -0.896 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 -0.180 4.160 4.340 -0.000 0.000 0.217 145 L C 2.156 178.580 176.870 -0.742 0.000 1.107 145 L CA 1.697 55.643 54.840 -1.490 0.000 0.772 145 L CB -0.391 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 2.374 178.239 176.000 -0.225 0.000 0.977 146 Q CA 1.383 56.989 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 -0.094 120.303 120.500 -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 62.649 62.100 -0.069 0.000 1.147 148 T CB 0.037 68.901 68.868 -0.007 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 2.578 178.654 176.117 -0.070 0.000 1.146 149 I CA 0.898 62.143 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 0.345 123.113 122.820 -0.087 0.000 1.855 150 A HA 0.006 4.326 4.320 -0.000 0.000 0.213 150 A C 2.542 180.088 177.584 -0.063 0.000 1.195 150 A CA 1.242 53.236 52.037 -0.071 0.000 0.610 150 A CB -0.786 18.169 19.000 -0.075 0.000 0.837 150 A HN 0.367 nan 8.150 nan 0.000 0.444 151 A N -0.135 122.650 122.820 -0.058 0.000 1.865 151 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 151 A C 2.219 179.773 177.584 -0.051 0.000 1.191 151 A CA 1.643 53.649 52.037 -0.052 0.000 0.623 151 A CB -0.515 18.462 19.000 -0.038 0.000 0.826 151 A HN 0.366 nan 8.150 nan 0.000 0.444 152 R N -1.607 118.875 120.500 -0.030 0.000 2.096 152 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 152 R C 1.994 178.293 176.300 -0.002 0.000 1.127 152 R CA 1.538 57.653 56.100 0.025 0.000 0.968 152 R CB -0.847 29.471 30.300 0.030 0.000 0.861 152 R HN 0.515 nan 8.270 nan 0.000 0.440 153 M N 0.625 120.205 119.600 -0.034 0.000 2.149 153 M HA -0.139 4.341 4.480 -0.000 0.000 0.261 153 M C 2.164 178.375 176.300 -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 32.060 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 2.037 58.012 56.100 -0.208 0.000 0.928 154 R CB -0.525 29.681 30.300 -0.157 0.000 0.834 154 R HN 0.315 nan 8.270 nan 0.000 0.429 155 D N 0.258 120.419 120.400 -0.398 0.000 2.204 155 D HA -0.248 4.392 4.640 -0.000 0.000 0.189 155 D C 1.813 177.242 176.300 -1.452 0.000 1.006 155 D CA 1.873 55.397 54.000 -0.794 0.000 0.855 155 D CB -0.708 39.854 40.800 -0.396 0.000 0.946 155 D HN 0.234 nan 8.370 nan 0.000 0.448 156 V N 0.976 120.312 119.914 -0.964 0.000 2.307 156 V HA -0.149 3.971 4.120 -0.000 0.000 0.245 156 V C 2.338 177.956 176.094 -0.793 0.000 1.045 156 V CA 2.322 64.002 62.300 -1.032 0.000 1.024 156 V CB -0.654 30.681 31.823 -0.812 0.000 0.651 156 V HN 0.246 nan 8.190 nan 0.000 0.449 157 A N 0.062 122.591 122.820 -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 -2.096 118.855 121.223 -0.454 0.000 2.022 158 L HA -0.149 4.191 4.340 -0.000 0.000 0.204 158 L C 2.810 179.565 176.870 -0.192 0.000 1.076 158 L CA 1.387 56.014 54.840 -0.354 0.000 0.749 158 L CB -1.177 40.644 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 0.901 58.292 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 0.375 nan 8.180 nan 0.000 0.484 160 Q N 1.564 121.272 119.800 -0.153 0.000 2.325 160 Q HA -0.251 4.089 4.340 -0.000 0.000 0.211 160 Q C 2.061 178.180 176.000 0.199 0.000 0.988 160 Q CA 2.371 58.231 55.803 0.095 0.000 0.887 160 Q CB -0.357 28.359 28.738 -0.036 0.000 0.915 160 Q HN 0.514 nan 8.270 nan 0.000 0.440 161 K N -1.381 119.031 120.400 0.021 0.000 2.137 161 K HA -0.121 4.199 4.320 -0.000 0.000 0.202 161 K C 1.793 178.353 176.600 -0.066 0.000 1.052 161 K CA 0.840 57.094 56.287 -0.054 0.000 0.961 161 K CB -0.203 32.183 32.500 -0.190 0.000 0.741 161 K HN 0.254 nan 8.250 nan 0.000 0.452 162 H N 0.833 119.945 119.070 0.070 0.000 2.357 162 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 162 H C 2.166 177.401 175.328 -0.155 0.000 1.082 162 H CA 1.440 57.459 56.048 -0.048 0.000 1.342 162 H CB -0.177 29.537 29.762 -0.081 0.000 1.389 162 H HN 0.193 nan 8.280 nan 0.000 0.511 163 L N 1.488 122.735 121.223 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 2.029 56.893 54.840 0.040 0.000 0.752 163 L CB -0.650 41.727 42.059 0.530 0.000 0.896 163 L HN 0.107 nan 8.230 nan 0.000 0.433 164 D N -1.343 119.142 120.400 0.142 0.000 2.077 164 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 164 D C 2.179 178.504 176.300 0.042 0.000 0.986 164 D CA 1.899 55.967 54.000 0.113 0.000 0.829 164 D CB -0.197 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 -2.075 112.495 114.554 0.026 0.000 2.896 165 T HA -0.146 4.204 4.350 -0.000 0.000 0.270 165 T C 1.699 176.395 174.700 -0.006 0.000 1.104 165 T CA 1.543 63.649 62.100 0.011 0.000 1.115 165 T CB -0.414 68.460 68.868 0.009 0.000 0.843 165 T HN 0.164 nan 8.240 nan 0.000 0.523 166 A N 0.065 122.869 122.820 -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 18.490 19.000 -0.095 0.000 0.862 166 A HN 0.429 nan 8.150 nan 0.000 0.461 167 M N 0.835 120.385 119.600 -0.082 0.000 2.074 167 M HA -0.096 4.384 4.480 -0.000 0.000 0.259 167 M C 2.317 178.575 176.300 -0.069 0.000 1.079 167 M CA 2.630 57.817 55.300 -0.188 0.000 1.119 167 M CB -0.916 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 -1.434 113.117 114.554 -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 1.213 63.351 62.100 0.063 0.000 1.114 168 T CB -0.845 68.069 68.868 0.078 0.000 0.867 168 T HN 0.506 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 0.247 4.727 4.480 -0.000 0.000 0.208 169 M C -0.242 176.181 176.300 0.206 0.000 1.152 169 M CA 0.500 55.861 55.300 0.102 0.000 1.013 169 M CB -0.759 31.875 32.600 0.057 0.000 1.813 169 M HN 0.560 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 -0.207 176.898 176.870 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 1.313 116.027 114.554 0.265 0.000 2.468 171 T HA -0.101 4.249 4.350 -0.000 0.000 0.491 171 T C -1.340 173.549 174.700 0.316 0.000 0.810 171 T CA 0.777 63.013 62.100 0.226 0.000 3.883 171 T CB -0.693 68.263 68.868 0.147 0.000 0.645 171 T HN 0.599 nan 8.240 nan 0.000 0.213 172 P HA 0.161 nan 4.420 nan 0.000 0.258 172 P C -0.336 177.108 177.300 0.240 0.000 1.403 172 P CA 0.296 63.544 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 0.877 121.411 120.400 0.222 0.000 2.542 173 D HA 0.283 4.923 4.640 -0.000 0.000 0.252 173 D C 0.252 176.636 176.300 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 -0.915 119.734 120.570 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 60.649 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 1.298 117.029 115.700 0.050 0.000 2.952 175 S HA 0.735 5.205 4.470 -0.000 0.000 0.251 175 S C -0.026 174.590 174.600 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 0.452 123.291 122.820 0.030 0.000 2.500 176 A HA 0.787 5.107 4.320 -0.000 0.000 0.288 176 A C 0.556 178.157 177.584 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 1.351 110.164 108.800 0.021 0.000 2.692 177 G HA2 0.127 4.087 3.960 -0.000 0.000 0.248 177 G HA3 0.127 4.087 3.960 -0.000 0.000 0.248 177 G C 0.523 175.445 174.900 0.036 0.000 1.340 177 G CA 0.180 45.294 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 0.967 5.437 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 1.090 123.970 122.820 0.101 0.000 1.320 179 A HA 0.451 4.771 4.320 -0.000 0.000 0.218 179 A C -0.266 177.394 177.584 0.128 0.000 0.940 179 A CA -0.422 51.710 52.037 0.159 0.000 0.663 179 A CB -0.645 18.509 19.000 0.256 0.000 0.547 179 A HN 0.824 nan 8.150 nan 0.000 0.322 180 S N -0.035 115.696 115.700 0.051 0.000 2.690 180 S HA 0.826 5.296 4.470 -0.000 0.000 0.285 180 S C 0.364 174.863 174.600 -0.168 0.000 1.135 180 S CA -0.244 57.912 58.200 -0.073 0.000 1.020 180 S CB 1.686 64.863 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 58.176 59.018 -0.244 0.000 1.283 181 C CB -1.653 25.696 27.740 -0.651 0.000 1.644 181 C HN 1.180 nan 8.230 nan 0.000 0.575 182 N N 3.750 122.430 118.700 -0.033 0.000 1.801 182 N HA -0.199 4.541 4.740 -0.000 0.000 0.315 182 N C 1.206 176.760 175.510 0.073 0.000 1.326 182 N CA 0.996 54.065 53.050 0.031 0.000 0.840 182 N CB 0.222 38.722 38.487 0.020 0.000 1.126 182 N HN 0.897 nan 8.380 nan 0.000 0.499 183 W N 3.987 125.230 121.300 -0.095 0.000 2.275 183 W HA -0.374 4.286 4.660 -0.000 0.000 0.321 183 W C 1.163 177.638 176.519 -0.073 0.000 1.269 183 W CA 1.428 58.718 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 0.343 120.718 120.400 -0.041 0.000 1.988 184 K HA -0.211 4.109 4.320 -0.000 0.000 0.221 184 K C 2.055 178.541 176.600 -0.190 0.000 1.053 184 K CA 2.069 58.267 56.287 -0.147 0.000 0.959 184 K CB -1.256 31.226 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 -0.220 4.250 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 1.647 59.827 58.200 -0.034 0.000 1.117 185 S CB -0.603 62.593 63.200 -0.007 0.000 1.020 185 S HN 0.253 nan 8.310 nan 0.000 0.430 186 L N 1.393 122.496 121.223 -0.200 0.000 2.011 186 L HA -0.205 4.135 4.340 -0.000 0.000 0.225 186 L C 2.191 178.877 176.870 -0.306 0.000 1.084 186 L CA 1.802 56.489 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 -1.243 119.610 121.223 -0.617 0.000 1.961 187 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 187 L C 2.567 179.234 176.870 -0.337 0.000 1.072 187 L CA 1.573 56.046 54.840 -0.613 0.000 0.749 187 L CB -0.767 40.788 42.059 -0.841 0.000 0.889 187 L HN 0.399 nan 8.230 nan 0.000 0.432 188 A N -0.852 121.820 122.820 -0.246 0.000 2.148 188 A HA -0.295 4.025 4.320 -0.000 0.000 0.222 188 A C 2.021 179.523 177.584 -0.137 0.000 1.161 188 A CA 1.938 53.901 52.037 -0.124 0.000 0.662 188 A CB -0.857 18.131 19.000 -0.020 0.000 0.799 188 A HN 0.541 nan 8.150 nan 0.000 0.466 189 F N 0.388 120.092 119.950 -0.409 0.000 2.123 189 F HA 0.230 4.756 4.527 -0.000 0.000 0.289 189 F C 2.380 177.809 175.800 -0.617 0.000 1.099 189 F CA 1.093 58.609 58.000 -0.807 0.000 1.234 189 F CB -0.678 37.840 39.000 -0.803 0.000 1.034 189 F HN 0.164 nan 8.300 nan 0.000 0.479 190 A N 0.408 122.841 122.820 -0.645 0.000 2.070 190 A HA -0.183 4.137 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 1.527 53.178 52.037 -0.642 0.000 0.656 190 A CB -0.911 17.910 19.000 -0.298 0.000 0.800 190 A HN 0.515 nan 8.150 nan 0.000 0.453 191 K N -0.462 119.714 120.400 -0.373 0.000 2.281 191 K HA -0.175 4.145 4.320 -0.000 0.000 0.203 191 K C 0.825 177.274 176.600 -0.251 0.000 1.046 191 K CA 1.638 57.773 56.287 -0.254 0.000 0.938 191 K CB -0.097 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 -0.145 120.033 120.400 -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 0.428 54.248 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 1.135 121.384 120.570 -0.535 0.000 2.253 193 I HA -0.295 3.875 4.170 -0.000 0.000 0.234 193 I C 0.990 176.952 176.117 -0.259 0.000 0.978 193 I CA 1.065 62.116 61.300 -0.414 0.000 1.271 193 I CB -1.302 36.334 38.000 -0.607 0.000 0.978 193 I HN 0.148 nan 8.210 nan 0.000 0.394 194 L N 3.798 124.859 121.223 -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 -0.555 54.184 54.840 -0.168 0.000 0.969 194 L CB -0.849 41.106 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 0.787 178.059 177.300 -0.047 0.000 1.205 195 P CA -0.550 62.520 63.100 -0.050 0.000 0.771 195 P CB 0.775 32.461 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 -0.153 4.187 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 -1.555 40.484 42.059 -0.033 0.000 0.956 196 L HN 0.394 nan 8.230 nan 0.000 0.455 197 D N -2.005 118.382 120.400 -0.022 0.000 2.623 197 D HA 0.084 4.724 4.640 -0.000 0.000 0.252 197 D C 0.992 177.278 176.300 -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 41.079 40.800 0.032 0.000 1.070 197 D HN 0.211 nan 8.370 nan 0.000 0.487 198 N N 0.243 118.900 118.700 -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 0.148 53.117 53.050 -0.134 0.000 0.940 198 N CB 0.482 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 -1.007 119.935 121.223 -0.468 0.000 4.368 199 L HA 0.187 4.527 4.340 -0.000 0.000 0.430 199 L C 0.650 177.554 176.870 0.057 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 -0.309 118.817 119.300 -0.290 0.000 2.697 200 C HA 0.248 4.708 4.460 -0.000 0.000 0.267 200 C C 2.123 177.088 174.990 -0.041 0.000 1.278 200 C CA 0.136 59.004 59.018 -0.250 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 -0.469 120.721 121.223 -0.056 0.000 2.470 201 L HA 0.104 4.444 4.340 -0.000 0.000 0.219 201 L C 2.477 179.300 176.870 -0.078 0.000 1.071 201 L CA 0.935 55.734 54.840 -0.068 0.000 0.850 201 L CB -0.508 41.495 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 0.404 174.790 174.700 -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 -0.779 119.593 120.300 0.120 0.000 2.742 203 Y HA 0.268 4.818 4.550 -0.000 0.000 0.248 203 Y C -1.870 174.133 175.900 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 38.786 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 0.229 204 P C 0.095 177.547 177.300 0.253 0.000 1.073 204 P CA 2.359 65.567 63.100 0.180 0.000 1.022 204 P CB -0.020 31.716 31.700 0.061 0.000 0.752 205 N N -1.758 117.065 118.700 0.205 0.000 3.025 205 N HA 0.247 4.987 4.740 -0.000 0.000 0.315 205 N C 0.470 176.085 175.510 0.176 0.000 1.511 205 N CA -0.273 52.926 53.050 0.248 0.000 1.097 205 N CB 0.520 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 -1.148 119.156 120.200 0.172 0.000 2.633 206 E HA 0.257 4.607 4.350 -0.000 0.000 0.214 206 E C -0.084 176.452 176.600 -0.107 0.000 0.898 206 E CA -0.005 56.403 56.400 0.014 0.000 1.422 206 E CB 0.152 29.871 29.700 0.032 0.000 1.398 206 E HN 0.296 nan 8.360 nan 0.000 0.752 207 F N -0.867 119.137 119.950 0.090 0.000 2.500 207 F HA 0.145 4.672 4.527 -0.000 0.000 0.285 207 F C 1.683 177.539 175.800 0.094 0.000 1.088 207 F CA 0.379 58.443 58.000 0.106 0.000 1.432 207 F CB -0.149 38.953 39.000 0.170 0.000 1.131 207 F HN 0.082 nan 8.300 nan 0.000 0.582 208 Y N 1.771 122.193 120.300 0.204 0.000 2.114 208 Y HA -0.282 4.268 4.550 -0.000 0.000 0.282 208 Y C 2.137 178.023 175.900 -0.023 0.000 1.165 208 Y CA 1.952 60.121 58.100 0.115 0.000 1.148 208 Y CB -0.866 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 -0.462 118.134 118.700 -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 1.581 54.400 53.050 -0.386 0.000 0.866 209 N CB -0.147 38.213 38.487 -0.211 0.000 0.980 209 N HN 0.302 nan 8.380 nan 0.000 0.430 210 V N 1.806 121.488 119.914 -0.387 0.000 2.323 210 V HA -0.140 3.980 4.120 -0.000 0.000 0.244 210 V C 2.611 178.429 176.094 -0.462 0.000 1.041 210 V CA 1.663 63.656 62.300 -0.511 0.000 1.025 210 V CB -0.922 30.573 31.823 -0.546 0.000 0.656 210 V HN 0.230 nan 8.190 nan 0.000 0.451 211 A N 0.291 122.991 122.820 -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 2.283 54.348 52.037 0.048 0.000 0.629 211 A CB -0.806 18.289 19.000 0.158 0.000 0.830 211 A HN 0.469 nan 8.150 nan 0.000 0.446 212 I N -0.674 119.696 120.570 -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 4.692 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 -0.476 119.912 120.500 -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 55.871 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 1.885 122.181 120.300 -0.006 0.000 2.555 215 Y HA 0.303 4.853 4.550 -0.000 0.000 0.326 215 Y C -1.855 174.036 175.900 -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 39.857 38.460 0.030 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 0.751 178.061 177.300 0.016 0.000 1.307 216 P CA 0.718 63.818 63.100 0.000 0.000 0.768 216 P CB 0.221 31.905 31.700 -0.026 0.000 1.199 217 A N 0.317 123.187 122.820 0.083 0.000 1.871 217 A HA 0.081 4.401 4.320 -0.000 0.000 0.211 217 A C 1.310 178.895 177.584 0.002 0.000 1.207 217 A CA 0.334 52.406 52.037 0.058 0.000 0.620 217 A CB -0.900 18.168 19.000 0.114 0.000 0.860 217 A HN 0.193 nan 8.150 nan 0.000 0.450 218 L N 1.752 122.989 121.223 0.024 0.000 2.485 218 L HA 0.179 4.519 4.340 -0.000 0.000 0.279 218 L C -0.519 176.272 176.870 -0.133 0.000 1.124 218 L CA 0.106 54.903 54.840 -0.072 0.000 0.888 218 L CB 0.077 42.138 42.059 0.003 0.000 1.217 218 L HN 0.185 nan 8.230 nan 0.000 0.464 219 K N 5.288 125.583 120.400 -0.176 0.000 2.293 219 K HA 0.416 4.736 4.320 -0.000 0.000 0.267 219 K C -2.264 174.234 176.600 -0.170 0.000 1.010 219 K CA -1.754 54.441 56.287 -0.153 0.000 0.875 219 K CB 1.125 33.545 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 -0.044 177.220 177.300 -0.059 0.000 1.216 220 P CA -0.358 62.702 63.100 -0.067 0.000 0.776 220 P CB 0.830 32.502 31.700 -0.046 0.000 0.881 221 G N 2.279 111.043 108.800 -0.059 0.000 2.354 221 G HA2 0.027 3.987 3.960 -0.000 0.000 0.266 221 G HA3 0.027 3.987 3.960 -0.000 0.000 0.266 221 G C 0.298 175.195 174.900 -0.005 0.000 1.242 221 G CA -0.277 44.799 45.100 -0.040 0.000 0.923 221 G HN 0.582 nan 8.290 nan 0.000 0.476 222 N N 3.212 121.912 118.700 -0.000 0.000 2.412 222 N HA 0.059 4.799 4.740 -0.000 0.000 0.258 222 N C -1.037 174.480 175.510 0.011 0.000 1.236 222 N CA -1.674 51.382 53.050 0.010 0.000 0.882 222 N CB 1.374 39.868 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 -0.446 176.862 177.300 0.012 0.000 1.163 223 P CA 1.369 64.479 63.100 0.016 0.000 0.883 223 P CB 0.205 31.916 31.700 0.018 0.000 0.788 224 D N -1.650 118.756 120.400 0.009 0.000 3.139 224 D HA 0.194 4.834 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 54.420 54.000 0.007 0.000 0.940 224 D CB -0.289 40.515 40.800 0.006 0.000 1.050 224 D HN -0.019 nan 8.370 nan 0.000 0.503 225 T N -0.954 113.604 114.554 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 61.770 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 0.754 121.158 120.400 0.007 0.000 3.139 226 K HA -0.171 4.149 4.320 -0.000 0.000 0.261 226 K C -0.690 175.911 176.600 0.002 0.000 0.895 226 K CA 0.562 56.853 56.287 0.007 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 -1.610 119.612 121.223 -0.002 0.000 2.350 227 L HA 0.518 4.858 4.340 -0.000 0.000 0.260 227 L C -1.780 175.081 176.870 -0.016 0.000 1.015 227 L CA -2.444 52.391 54.840 -0.008 0.000 0.821 227 L CB 1.751 43.809 42.059 -0.003 0.000 1.370 227 L HN -0.199 nan 8.230 nan 0.000 0.416 228 P HA 0.054 nan 4.420 nan 0.000 0.286 228 P C -0.433 176.857 177.300 -0.016 0.000 1.394 228 P CA 0.509 63.585 63.100 -0.039 0.000 0.763 228 P CB 0.414 32.082 31.700 -0.053 0.000 1.632 229 D N -4.610 115.780 120.400 -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 -0.000 0.000 1.267 229 D CA 0.708 54.719 54.000 0.018 0.000 0.958 229 D CB 0.387 41.226 40.800 0.064 0.000 1.462 229 D HN 0.210 nan 8.370 nan 0.000 0.438 230 A N 0.169 122.970 122.820 -0.032 0.000 1.293 230 A HA -0.291 4.029 4.320 -0.000 0.000 0.322 230 A C 0.517 178.056 177.584 -0.076 0.000 1.764 230 A CA 1.474 53.489 52.037 -0.037 0.000 1.092 230 A CB -1.321 17.672 19.000 -0.012 0.000 1.471 230 A HN 0.271 nan 8.150 nan 0.000 0.722 231 Q N 0.826 120.577 119.800 -0.082 0.000 2.421 231 Q HA 0.563 4.903 4.340 -0.000 0.000 0.255 231 Q C 0.121 175.844 176.000 -0.461 0.000 1.013 231 Q CA 0.774 56.460 55.803 -0.195 0.000 0.895 231 Q CB 0.600 29.299 28.738 -0.065 0.000 1.271 231 Q HN 1.496 nan 8.270 nan 0.000 0.460 232 A N 2.908 125.433 122.820 -0.491 0.000 2.318 232 A HA 0.474 4.794 4.320 -0.000 0.000 0.317 232 A C -0.855 176.374 177.584 -0.592 0.000 1.159 232 A CA -0.734 51.008 52.037 -0.491 0.000 0.799 232 A CB 0.557 19.430 19.000 -0.212 0.000 1.194 232 A HN 0.699 nan 8.150 nan 0.000 0.479 233 H N 3.875 122.936 119.070 -0.013 0.000 2.482 233 H HA 0.280 4.836 4.556 -0.000 0.000 0.231 233 H C -2.515 172.810 175.328 -0.005 0.000 1.612 233 H CA -1.592 54.449 56.048 -0.013 0.000 1.279 233 H CB -0.203 29.548 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 1.264 178.585 177.300 0.034 0.000 1.253 234 P CA -0.666 62.458 63.100 0.039 0.000 0.800 234 P CB 2.008 33.705 31.700 -0.006 0.000 0.961 235 L N 2.421 123.649 121.223 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 -1.890 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 -1.404 107.462 108.800 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 0.170 45.324 45.100 0.090 0.000 0.959 236 G HN 0.316 nan 8.290 nan 0.000 0.524 237 E N 0.019 120.247 120.200 0.047 0.000 2.170 237 E HA -0.290 4.060 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 2.402 58.828 56.400 0.043 0.000 0.930 237 E CB -0.269 29.456 29.700 0.042 0.000 0.806 237 E HN 0.252 nan 8.360 nan 0.000 0.478 238 V N 0.222 120.181 119.914 0.074 0.000 2.255 238 V HA -0.183 3.937 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 1.822 64.218 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 0.508 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 2.438 54.553 52.037 0.130 0.000 0.638 239 A CB -1.460 17.584 19.000 0.073 0.000 0.823 239 A HN 0.591 nan 8.150 nan 0.000 0.451 240 G N -1.322 107.525 108.800 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 1.565 176.480 174.900 0.026 0.000 1.125 240 G CA 1.305 46.432 45.100 0.045 0.000 0.775 240 G HN 0.842 nan 8.290 nan 0.000 0.548 241 A N 0.370 123.203 122.820 0.022 0.000 1.898 241 A HA 0.306 4.626 4.320 -0.000 0.000 0.214 241 A C 1.627 179.086 177.584 -0.209 0.000 1.183 241 A CA 0.470 52.442 52.037 -0.108 0.000 0.622 241 A CB -0.294 18.611 19.000 -0.158 0.000 0.824 241 A HN 0.258 nan 8.150 nan 0.000 0.444 242 F N 0.588 120.538 119.950 0.000 0.000 2.695 242 F HA 0.157 4.684 4.527 -0.000 0.000 0.301 242 F C 1.346 177.149 175.800 0.005 0.000 1.182 242 F CA 0.199 58.200 58.000 0.001 0.000 1.412 242 F CB 0.141 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 -0.309 118.455 118.700 0.106 0.000 2.211 243 N HA 0.189 4.929 4.740 -0.000 0.000 0.216 243 N C 0.704 176.240 175.510 0.043 0.000 1.240 243 N CA 0.190 53.290 53.050 0.083 0.000 0.895 243 N CB 0.216 38.749 38.487 0.076 0.000 1.102 243 N HN 0.040 nan 8.380 nan 0.000 0.498 244 A N 1.203 124.029 122.820 0.011 0.000 2.561 244 A HA 0.386 4.706 4.320 -0.000 0.000 0.234 244 A C 0.639 178.225 177.584 0.003 0.000 1.055 244 A CA 0.158 52.194 52.037 -0.002 0.000 0.756 244 A CB 0.005 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 3.629 126.456 122.820 0.011 0.000 2.785 245 A HA 0.465 4.785 4.320 -0.000 0.000 0.294 245 A C 0.983 178.567 177.584 0.001 0.000 1.597 245 A CA 0.308 52.353 52.037 0.013 0.000 1.283 245 A CB -1.377 17.633 19.000 0.018 0.000 1.088 245 A HN 1.362 nan 8.150 nan 0.000 0.568 246 T N 0.929 115.479 114.554 -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 1.774 117.470 115.700 -0.007 0.000 2.440 247 S HA -0.187 4.283 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 0.845 59.044 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 1.289 121.488 120.200 -0.002 0.000 2.072 248 E HA 0.088 4.438 4.350 -0.000 0.000 0.190 248 E C 0.759 177.362 176.600 0.005 0.000 0.982 248 E CA 1.066 57.467 56.400 0.000 0.000 0.803 248 E CB -0.192 29.508 29.700 0.000 0.000 0.755 248 E HN 0.710 nan 8.360 nan 0.000 0.453 249 V N -3.222 116.697 119.914 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 3.942 112.751 108.800 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 0.685 175.599 174.900 0.022 0.000 0.963 250 G CA 1.638 46.748 45.100 0.017 0.000 0.865 250 G HN 2.041 nan 8.290 nan 0.000 1.379 251 S N -1.481 114.236 115.700 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 58.083 58.200 0.039 0.000 1.009 251 S CB 0.691 63.914 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 -0.913 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 0.378 120.339 119.914 0.079 0.000 2.594 253 V HA -0.169 3.951 4.120 -0.000 0.000 0.253 253 V C 2.170 178.288 176.094 0.041 0.000 1.069 253 V CA 2.062 64.397 62.300 0.058 0.000 1.082 253 V CB -0.442 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 1.144 46.263 45.100 0.032 0.000 0.842 254 G HN 0.719 nan 8.290 nan 0.000 0.555 255 S N 1.148 116.865 115.700 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 2.455 60.669 58.200 0.023 0.000 1.009 255 S CB -0.820 62.395 63.200 0.024 0.000 0.803 255 S HN 0.750 nan 8.310 nan 0.000 0.486 256 S N 2.643 118.356 115.700 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 1.489 59.698 58.200 0.015 0.000 0.996 256 S CB -1.206 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 1.074 116.782 115.700 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 59.992 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 0.911 115.473 114.554 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 1.493 63.601 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 0.442 121.671 121.223 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 -0.430 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 -0.668 115.034 115.700 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 1.441 59.642 58.200 0.001 0.000 0.993 260 S CB -0.418 62.781 63.200 -0.001 0.000 0.808 260 S HN 0.366 nan 8.310 nan 0.000 0.478 261 Q N 2.794 122.598 119.800 0.006 0.000 1.993 261 Q HA 0.071 4.411 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 2.392 58.199 55.803 0.008 0.000 0.837 261 Q CB -1.357 27.387 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 2.281 179.867 177.584 0.003 0.000 1.181 262 A CA 1.698 53.739 52.037 0.008 0.000 0.627 262 A CB -0.911 18.095 19.000 0.010 0.000 0.818 262 A HN 0.523 nan 8.150 nan 0.000 0.445 263 I N -0.093 120.478 120.570 0.002 0.000 2.264 263 I HA -0.257 3.913 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 1.373 62.672 61.300 -0.001 0.000 1.382 263 I CB -0.456 37.543 38.000 -0.002 0.000 1.060 263 I HN 0.267 nan 8.210 nan 0.000 0.418 264 S N 0.659 116.360 115.700 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 2.223 60.424 58.200 0.001 0.000 1.037 264 S CB -0.695 62.507 63.200 0.004 0.000 0.956 264 S HN 0.474 nan 8.310 nan 0.000 0.428 265 T N 3.139 117.695 114.554 0.003 0.000 2.597 265 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 265 T C 1.862 176.558 174.700 -0.007 0.000 1.053 265 T CA 1.544 63.645 62.100 0.002 0.000 1.165 265 T CB -0.479 68.390 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 -0.144 4.336 4.480 -0.000 0.000 0.255 266 M C 2.595 178.886 176.300 -0.016 0.000 1.075 266 M CA 1.901 57.190 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 0.422 nan 8.290 nan 0.000 0.402 267 A N -1.040 121.775 122.820 -0.009 0.000 1.943 267 A HA 0.275 4.595 4.320 -0.000 0.000 0.213 267 A C 2.179 179.761 177.584 -0.002 0.000 1.181 267 A CA 1.167 53.200 52.037 -0.007 0.000 0.653 267 A CB -1.075 17.922 19.000 -0.006 0.000 0.833 267 A HN 0.471 nan 8.150 nan 0.000 0.451 268 G N 0.376 109.177 108.800 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 1.328 176.240 174.900 0.019 0.000 1.432 268 G CA 1.126 46.231 45.100 0.008 0.000 0.861 268 G HN 0.346 nan 8.290 nan 0.000 0.598 269 K N -0.383 120.037 120.400 0.033 0.000 2.148 269 K HA -0.130 4.190 4.320 -0.000 0.000 0.213 269 K C 0.719 177.386 176.600 0.111 0.000 1.050 269 K CA 1.565 57.898 56.287 0.077 0.000 0.932 269 K CB -0.144 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 -2.908 117.534 120.400 0.070 0.000 2.812 270 D HA -0.093 4.547 4.640 -0.000 0.000 0.181 270 D C 0.076 176.415 176.300 0.066 0.000 1.008 270 D CA 0.043 54.080 54.000 0.062 0.000 0.830 270 D CB -1.236 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 0.593 121.770 121.223 -0.077 0.000 2.083 271 L HA 0.038 4.378 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 1.535 56.254 54.840 -0.202 0.000 0.752 271 L CB -0.915 41.050 42.059 -0.156 0.000 0.899 271 L HN 0.475 nan 8.230 nan 0.000 0.433 272 D N -0.022 120.357 120.400 -0.034 0.000 2.419 272 D HA 0.030 4.670 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 0.523 54.511 54.000 -0.019 0.000 0.882 272 D CB 0.402 41.191 40.800 -0.017 0.000 1.201 272 D HN 0.240 nan 8.370 nan 0.000 0.443 273 L N 1.986 123.210 121.223 0.002 0.000 4.351 273 L HA -0.237 4.103 4.340 -0.000 0.000 0.410 273 L C 0.487 177.389 176.870 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 0.290 120.903 120.570 0.072 0.000 2.493 274 I HA -0.162 4.008 4.170 -0.000 0.000 0.254 274 I C 1.509 177.717 176.117 0.151 0.000 1.160 274 I CA 2.155 63.549 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 1.072 121.317 120.200 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 0.461 30.184 29.700 0.039 0.000 1.088 275 E HN 0.484 nan 8.360 nan 0.000 0.463 276 A N 1.003 123.847 122.820 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 0.259 52.308 52.037 0.021 0.000 0.758 276 A CB 0.272 19.276 19.000 0.006 0.000 0.991 276 A HN 0.315 nan 8.150 nan 0.000 0.502 277 D N 1.737 122.148 120.400 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 -0.284 114.282 114.554 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 60.907 62.100 0.017 0.000 1.129 278 T CB 1.162 70.036 68.868 0.010 0.000 1.583 278 T HN -0.171 nan 8.240 nan 0.000 0.480 279 P HA 0.258 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 0.324 63.441 63.100 0.029 0.000 0.759 279 P CB 0.076 31.790 31.700 0.025 0.000 0.753 280 L N 6.724 127.979 121.223 0.053 0.000 2.439 280 L HA 0.416 4.756 4.340 -0.000 0.000 0.270 280 L C -2.339 174.588 176.870 0.094 0.000 0.972 280 L CA -2.517 52.347 54.840 0.039 0.000 0.836 280 L CB 2.365 44.421 42.059 -0.004 0.000 1.255 280 L HN 0.142 nan 8.230 nan 0.000 0.404 281 P HA -0.036 nan 4.420 nan 0.000 0.264 281 P C 1.033 178.421 177.300 0.146 0.000 1.183 281 P CA -0.066 63.074 63.100 0.065 0.000 0.763 281 P CB 0.786 32.500 31.700 0.024 0.000 0.807 282 V N 2.766 122.774 119.914 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 2.593 65.028 62.300 0.226 0.000 1.070 282 V CB -1.470 30.396 31.823 0.072 0.000 0.664 282 V HN 0.734 nan 8.190 nan 0.000 0.461 283 S N 0.352 116.117 115.700 0.107 0.000 2.387 283 S HA -0.216 4.254 4.470 -0.000 0.000 0.230 283 S C 1.839 176.456 174.600 0.028 0.000 1.035 283 S CA 1.790 60.026 58.200 0.059 0.000 1.014 283 S CB -0.940 62.275 63.200 0.025 0.000 0.836 283 S HN 0.384 nan 8.310 nan 0.000 0.466 284 V N 0.325 120.217 119.914 -0.037 0.000 3.140 284 V HA -0.054 4.066 4.120 -0.000 0.000 0.269 284 V C 1.382 177.244 176.094 -0.387 0.000 1.149 284 V CA 1.385 63.550 62.300 -0.225 0.000 1.162 284 V CB -1.298 30.306 31.823 -0.365 0.000 0.756 284 V HN 0.555 nan 8.190 nan 0.000 0.523 285 F N -0.371 119.509 119.950 -0.117 0.000 2.653 285 F HA 0.155 4.682 4.527 -0.000 0.000 0.304 285 F C 1.566 177.337 175.800 -0.047 0.000 1.092 285 F CA 0.337 58.247 58.000 -0.150 0.000 1.279 285 F CB -0.507 38.391 39.000 -0.171 0.000 1.044 285 F HN 0.220 nan 8.300 nan 0.000 0.564 286 T N 0.512 115.137 114.554 0.118 0.000 3.397 286 T HA -0.204 4.146 4.350 -0.000 0.000 0.401 286 T C -2.321 172.431 174.700 0.088 0.000 0.769 286 T CA -0.420 61.731 62.100 0.084 0.000 1.981 286 T CB -2.021 66.885 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 -0.137 177.181 177.300 0.029 0.000 1.242 287 P CA -0.046 63.084 63.100 0.050 0.000 0.768 287 P CB 0.971 32.685 31.700 0.023 0.000 0.820 288 S N 2.951 118.666 115.700 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 -0.982 57.226 58.200 0.013 0.000 0.844 288 S CB 1.326 64.537 63.200 0.018 0.000 1.127 288 S HN 0.377 nan 8.310 nan 0.000 0.474 289 L N -0.299 120.922 121.223 -0.003 0.000 3.833 289 L HA -0.130 4.210 4.340 -0.000 0.000 0.447 289 L C 0.151 177.011 176.870 -0.016 0.000 1.213 289 L CA 1.376 56.211 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 1.280 nan 8.230 nan 0.000 0.883 290 A N 2.439 125.245 122.820 -0.023 0.000 3.047 290 A HA 0.822 5.142 4.320 -0.000 0.000 0.337 290 A C -2.385 175.165 177.584 -0.056 0.000 1.143 290 A CA -0.438 51.579 52.037 -0.034 0.000 0.905 290 A CB 0.251 19.235 19.000 -0.027 0.000 1.088 290 A HN 0.405 nan 8.150 nan 0.000 0.488 291 P HA 0.421 nan 4.420 nan 0.000 0.228 291 P C -0.632 176.578 177.300 -0.149 0.000 1.714 291 P CA -0.345 62.692 63.100 -0.104 0.000 1.253 291 P CB 0.704 32.350 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 0.535 4.875 4.340 -0.000 0.000 0.275 292 R C 0.801 176.784 176.300 -0.529 0.000 1.077 292 R CA -0.058 55.881 56.100 -0.268 0.000 1.097 292 R CB 0.653 30.841 30.300 -0.187 0.000 1.018 292 R HN 0.431 nan 8.270 nan 0.000 0.483 293 S N 1.450 116.848 115.700 -0.504 0.000 2.578 293 S HA 0.582 5.052 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 -0.763 57.085 58.200 -0.587 0.000 1.032 293 S CB 0.990 64.024 63.200 -0.276 0.000 1.064 293 S HN 0.479 nan 8.310 nan 0.000 0.508 294 Y N 0.464 120.784 120.300 0.033 0.000 3.258 294 Y HA 0.704 5.254 4.550 -0.000 0.000 0.311 294 Y C 0.820 176.768 175.900 0.081 0.000 1.587 294 Y CA -1.346 56.809 58.100 0.092 0.000 0.925 294 Y CB 0.767 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 0.740 121.461 120.500 0.369 0.000 2.714 295 R HA 0.210 4.550 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 -1.171 55.061 56.100 0.220 0.000 1.435 295 R CB 0.769 31.232 30.300 0.271 0.000 1.517 295 R HN 0.380 nan 8.270 nan 0.000 0.748 296 P HA -0.046 nan 4.420 nan 0.000 0.281 296 P C 0.464 177.650 177.300 -0.189 0.000 1.274 296 P CA 0.592 63.681 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 -3.206 119.504 122.820 -0.184 0.000 2.945 297 A HA -0.224 4.096 4.320 -0.000 0.000 0.263 297 A C 0.677 178.069 177.584 -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 -2.133 117.791 119.950 -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 -0.366 57.609 58.000 -0.041 0.000 1.061 298 F CB -0.100 38.892 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 0.637 176.675 176.117 -0.131 0.000 1.180 299 I CA 0.365 61.621 61.300 -0.073 0.000 1.404 299 I CB -0.040 37.815 38.000 -0.242 0.000 1.389 299 I HN -0.083 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 -1.011 55.208 56.287 -0.113 0.000 0.980 300 K CB 0.602 33.054 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 0.843 178.026 177.300 -0.195 0.000 1.150 301 P CA 1.555 64.522 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 0.114 120.228 120.200 -0.142 0.000 2.358 302 E HA -0.137 4.213 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 0.842 57.173 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 1.140 121.463 120.400 -0.127 0.000 2.349 303 D HA 0.160 4.800 4.640 -0.000 0.000 0.224 303 D C -0.051 176.173 176.300 -0.127 0.000 1.029 303 D CA 0.818 54.755 54.000 -0.105 0.000 0.879 303 D CB 0.686 41.431 40.800 -0.091 0.000 0.906 303 D HN 0.277 nan 8.370 nan 0.000 0.528 304 A N 0.646 123.339 122.820 -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 -0.383 0.000 1.151 304 A CA -0.609 51.269 52.037 -0.265 0.000 0.907 304 A CB 0.670 19.428 19.000 -0.402 0.000 1.487 304 A HN -0.274 nan 8.150 nan 0.000 0.396 305 K N 1.593 121.894 120.400 -0.166 0.000 2.184 305 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 305 K C 1.401 177.944 176.600 -0.095 0.000 1.048 305 K CA 2.248 58.468 56.287 -0.112 0.000 0.931 305 K CB -0.208 32.271 32.500 -0.035 0.000 0.718 305 K HN 1.012 nan 8.250 nan 0.000 0.465 306 W N 0.850 122.108 121.300 -0.071 0.000 3.435 306 W HA 0.269 4.929 4.660 -0.000 0.000 0.303 306 W C 0.019 176.501 176.519 -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 1.424 121.741 120.570 -0.422 0.000 2.606 307 I HA 0.496 4.666 4.170 -0.000 0.000 0.275 307 I C -0.751 175.175 176.117 -0.319 0.000 1.220 307 I CA -0.272 60.761 61.300 -0.445 0.000 1.098 307 I CB 0.638 38.082 38.000 -0.926 0.000 1.321 307 I HN -0.073 nan 8.210 nan 0.000 0.468 308 A N 5.588 128.280 122.820 -0.213 0.000 2.264 308 A HA 0.820 5.140 4.320 -0.000 0.000 0.304 308 A C -0.543 176.800 177.584 -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 -0.422 119.540 120.200 -0.396 0.000 2.288 309 E HA 0.559 4.909 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 -0.622 55.558 56.400 -0.367 0.000 0.767 309 E CB 1.057 30.644 29.700 -0.189 0.000 1.220 309 E HN 0.305 nan 8.360 nan 0.000 0.427 310 F N 2.097 121.922 119.950 -0.207 0.000 2.666 310 F HA 0.141 4.668 4.527 -0.000 0.000 0.362 310 F C 0.089 175.813 175.800 -0.127 0.000 1.190 310 F CA -0.714 57.176 58.000 -0.183 0.000 1.328 310 F CB -0.853 38.048 39.000 -0.165 0.000 1.682 310 F HN 0.437 nan 8.300 nan 0.000 0.623 311 N N 1.620 120.320 118.700 0.001 0.000 2.498 311 N HA 0.031 4.771 4.740 -0.000 0.000 0.277 311 N C -0.574 174.938 175.510 0.003 0.000 1.208 311 N CA -0.431 52.617 53.050 -0.005 0.000 1.029 311 N CB -0.125 38.340 38.487 -0.038 0.000 1.403 311 N HN 0.343 nan 8.380 nan 0.000 0.500 312 N N 0.675 119.385 118.700 0.016 0.000 2.292 312 N HA 0.224 4.964 4.740 -0.000 0.000 0.303 312 N C -0.206 175.298 175.510 -0.011 0.000 1.140 312 N CA -0.759 52.292 53.050 0.001 0.000 0.788 312 N CB 1.784 40.273 38.487 0.004 0.000 1.361 312 N HN 0.157 nan 8.380 nan 0.000 0.489 313 S N 1.046 116.736 115.700 -0.016 0.000 2.482 313 S HA -0.164 4.306 4.470 -0.000 0.000 0.226 313 S C 1.241 175.825 174.600 -0.025 0.000 1.048 313 S CA 1.821 60.011 58.200 -0.017 0.000 1.158 313 S CB -0.555 62.635 63.200 -0.017 0.000 1.130 313 S HN 0.905 nan 8.310 nan 0.000 0.413 314 S N 1.920 117.598 115.700 -0.036 0.000 2.546 314 S HA 0.482 4.952 4.470 -0.000 0.000 0.265 314 S C 0.287 174.845 174.600 -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 -0.264 120.905 121.223 -0.090 0.000 2.439 315 L HA 0.526 4.866 4.340 -0.000 0.000 0.259 315 L C -0.207 176.600 176.870 -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 0.913 121.404 120.570 -0.131 0.000 2.976 316 I HA 0.257 4.427 4.170 -0.000 0.000 0.328 316 I C -0.155 175.883 176.117 -0.132 0.000 1.396 316 I CA -0.378 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 0.565 nan 8.210 nan 0.000 0.595 317 R N 2.449 122.890 120.500 -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 0.163 56.218 56.100 -0.074 0.000 1.018 317 R CB 0.451 30.717 30.300 -0.057 0.000 0.945 317 R HN 0.192 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 -0.653 175.945 176.600 -0.004 0.000 1.054 318 K CA -0.501 55.765 56.287 -0.034 0.000 0.879 318 K CB 1.576 34.048 32.500 -0.047 0.000 1.252 318 K HN 0.560 nan 8.250 nan 0.000 0.471 319 T N -0.443 114.117 114.554 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 -2.114 119.153 121.223 0.073 0.000 2.787 320 L HA 0.543 4.883 4.340 -0.000 0.000 0.260 320 L C -1.348 175.594 176.870 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 0.629 nan 8.230 nan 0.000 0.452 321 T N 3.427 118.031 114.554 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 0.426 62.563 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 3.775 124.132 120.300 0.095 0.000 2.388 322 Y HA 0.436 4.986 4.550 -0.000 0.000 0.328 322 Y C 0.592 176.591 175.900 0.164 0.000 0.963 322 Y CA -1.043 57.157 58.100 0.166 0.000 1.240 322 Y CB 0.628 39.259 38.460 0.286 0.000 1.118 322 Y HN 0.667 nan 8.280 nan 0.000 0.484 323 S N 4.203 119.619 115.700 -0.474 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 -0.448 0.000 1.083 323 S CB -1.617 61.123 63.200 -0.766 0.000 0.883 323 S HN 2.441 nan 8.310 nan 0.000 0.475 324 G N 0.857 109.574 108.800 -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 0.931 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 -0.070 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 3.327 117.608 114.554 -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 0.359 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 0.978 121.330 120.300 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 -1.284 56.862 58.100 0.078 0.000 1.157 327 Y CB 1.123 39.647 38.460 0.106 0.000 1.277 327 Y HN 0.667 nan 8.280 nan 0.000 0.490 328 T N 0.903 115.589 114.554 0.220 0.000 2.833 328 T HA 0.602 4.952 4.350 -0.000 0.000 0.297 328 T C -0.650 174.096 174.700 0.076 0.000 1.015 328 T CA -0.691 61.472 62.100 0.104 0.000 0.963 328 T CB -0.084 68.820 68.868 0.059 0.000 0.955 328 T HN 0.394 nan 8.240 nan 0.000 0.449 329 V N 3.809 123.746 119.914 0.039 0.000 2.715 329 V HA 0.119 4.239 4.120 -0.000 0.000 0.299 329 V C 1.209 177.280 176.094 -0.039 0.000 1.054 329 V CA -0.256 62.042 62.300 -0.003 0.000 1.077 329 V CB 1.518 33.320 31.823 -0.035 0.000 0.972 329 V HN 1.022 nan 8.190 nan 0.000 0.484 330 Q N 1.904 121.676 119.800 -0.046 0.000 2.252 330 Q HA 0.182 4.522 4.340 -0.000 0.000 0.195 330 Q C 0.522 176.445 176.000 -0.128 0.000 0.974 330 Q CA 0.377 56.135 55.803 -0.074 0.000 0.846 330 Q CB 0.123 28.829 28.738 -0.053 0.000 0.943 330 Q HN 0.626 nan 8.270 nan 0.000 0.516 331 L N 0.030 121.171 121.223 -0.137 0.000 3.730 331 L HA -0.206 4.134 4.340 -0.000 0.000 0.410 331 L C 0.739 177.534 176.870 -0.124 0.000 1.234 331 L CA 0.564 55.291 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 0.355 109.103 108.800 -0.087 0.000 3.047 332 G HA2 0.055 4.015 3.960 -0.000 0.000 0.374 332 G HA3 0.055 4.015 3.960 -0.000 0.000 0.374 332 G C -0.506 174.358 174.900 -0.059 0.000 1.277 332 G CA 0.122 45.175 45.100 -0.078 0.000 1.153 332 G HN 0.317 nan 8.290 nan 0.000 0.711 333 P HA -0.169 nan 4.420 nan 0.000 0.219 333 P C 1.407 178.707 177.300 0.001 0.000 1.161 333 P CA 1.961 65.046 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 -0.276 108.530 108.800 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 -0.710 44.401 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 0.273 177.597 177.300 0.040 0.000 1.160 335 P CA 1.344 64.455 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 -1.248 113.323 114.554 0.029 0.000 2.713 336 T HA -0.230 4.120 4.350 -0.000 0.000 0.482 336 T C -0.117 174.605 174.700 0.037 0.000 0.789 336 T CA 0.006 62.132 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 0.890 177.144 176.300 -0.078 0.000 1.047 337 R CA -0.410 55.628 56.100 -0.103 0.000 1.018 337 R CB 0.705 30.928 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 3.345 123.991 120.570 0.126 0.000 2.662 339 I HA 0.094 4.264 4.170 -0.000 0.000 0.285 339 I C 0.656 176.888 176.117 0.191 0.000 1.161 339 I CA 0.549 61.973 61.300 0.207 0.000 1.415 339 I CB 0.020 38.222 38.000 0.337 0.000 1.385 339 I HN 0.726 nan 8.210 nan 0.000 0.552 340 D N 6.005 126.510 120.400 0.175 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 -0.131 53.957 54.000 0.147 0.000 0.907 340 D CB 1.158 42.040 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 0.428 176.521 176.300 -0.346 0.000 1.120 341 M CA 0.396 55.406 55.300 -0.483 0.000 1.166 341 M CB -0.750 31.604 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 0.273 5.013 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 0.594 53.626 53.050 -0.029 0.000 0.933 342 N CB 0.464 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 0.178 177.811 177.584 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 17.643 19.000 0.097 0.000 1.111 343 A HN 0.526 nan 8.150 nan 0.000 0.411 344 M N 0.881 120.527 119.600 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 0.110 55.429 55.300 0.032 0.000 0.432 344 M CB -0.145 32.282 32.600 -0.288 0.000 1.469 344 M HN 1.183 nan 8.290 nan 0.000 0.661 345 I N 2.078 122.751 120.570 0.172 0.000 2.755 345 I HA -0.236 3.934 4.170 -0.000 0.000 0.138 345 I C -0.022 176.204 176.117 0.182 0.000 0.888 345 I CA 0.354 61.738 61.300 0.141 0.000 2.763 345 I CB -0.792 37.237 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 -0.029 4.611 4.640 -0.000 0.000 0.245 346 D C 0.503 176.830 176.300 0.045 0.000 1.474 346 D CA 0.905 54.897 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 0.772 116.555 115.700 0.138 0.000 2.694 347 S HA 0.694 5.164 4.470 -0.000 0.000 0.286 347 S C -0.062 174.562 174.600 0.040 0.000 1.080 347 S CA -0.996 57.239 58.200 0.059 0.000 0.953 347 S CB 1.293 64.514 63.200 0.035 0.000 1.313 347 S HN 0.246 nan 8.310 nan 0.000 0.555 348 V N 1.577 121.489 119.914 -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 0.194 31.998 31.823 -0.033 0.000 1.054 348 V HN 0.629 nan 8.190 nan 0.000 0.444 349 L N 3.235 124.409 121.223 -0.082 0.000 2.418 349 L HA 0.389 4.729 4.340 -0.000 0.000 0.274 349 L C 0.778 177.499 176.870 -0.250 0.000 1.135 349 L CA 0.996 55.727 54.840 -0.182 0.000 0.870 349 L CB 1.172 43.076 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 -0.816 173.724 174.700 -0.268 0.000 1.161 350 T CA -0.651 61.311 62.100 -0.230 0.000 1.155 350 T CB 0.043 68.814 68.868 -0.161 0.000 1.060 350 T HN 0.304 nan 8.240 nan 0.000 0.513 351 L N 5.805 126.861 121.223 -0.278 0.000 2.407 351 L HA 0.444 4.784 4.340 -0.000 0.000 0.282 351 L C 0.183 176.955 176.870 -0.164 0.000 1.110 351 L CA -0.039 54.684 54.840 -0.195 0.000 0.863 351 L CB 0.331 42.309 42.059 -0.135 0.000 1.207 351 L HN 0.580 nan 8.230 nan 0.000 0.454 352 D N 4.556 124.817 120.400 -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 1.640 42.211 40.800 -0.382 0.000 1.185 352 D HN 0.358 nan 8.370 nan 0.000 0.437 353 V N 3.763 123.726 119.914 0.081 0.000 2.276 353 V HA 0.271 4.391 4.120 -0.000 0.000 0.268 353 V C -0.129 176.071 176.094 0.176 0.000 1.032 353 V CA -0.575 61.761 62.300 0.060 0.000 0.810 353 V CB 0.385 32.246 31.823 0.062 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 0.317 58.614 58.200 0.162 0.000 0.907 354 S CB 2.056 65.346 63.200 0.149 0.000 1.081 354 S HN 1.874 nan 8.310 nan 0.000 0.476 355 G N 1.355 110.230 108.800 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 0.559 45.711 45.100 0.086 0.000 0.626 355 G HN 1.167 nan 8.290 nan 0.000 0.540 356 T N 2.143 116.715 114.554 0.029 0.000 2.913 356 T HA 0.483 4.833 4.350 -0.000 0.000 0.297 356 T C 1.145 175.817 174.700 -0.046 0.000 1.029 356 T CA -0.548 61.528 62.100 -0.041 0.000 1.104 356 T CB 0.371 69.156 68.868 -0.138 0.000 0.964 356 T HN 0.209 nan 8.240 nan 0.000 0.532 357 I N 3.118 123.672 120.570 -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 -0.014 0.000 1.226 357 I CA 0.180 61.482 61.300 0.004 0.000 1.413 357 I CB 0.565 38.574 38.000 0.015 0.000 1.352 357 I HN 0.453 nan 8.210 nan 0.000 0.597 358 L N 8.501 129.766 121.223 0.070 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 1.339 43.704 42.059 0.510 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 0.618 178.045 177.300 0.211 0.000 1.686 359 P CA 0.191 63.354 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 -0.171 120.174 120.300 0.075 0.000 2.639 360 Y HA -0.103 4.447 4.550 -0.000 0.000 0.297 360 Y C 1.671 177.595 175.900 0.039 0.000 1.151 360 Y CA -0.219 57.912 58.100 0.052 0.000 1.335 360 Y CB -0.787 37.723 38.460 0.083 0.000 0.994 360 Y HN 0.073 nan 8.280 nan 0.000 0.548 361 D N 1.859 122.586 120.400 0.544 0.000 2.097 361 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 361 D C 1.585 177.941 176.300 0.094 0.000 0.984 361 D CA 1.994 56.118 54.000 0.207 0.000 0.826 361 D CB -0.634 40.309 40.800 0.239 0.000 0.973 361 D HN 0.492 nan 8.370 nan 0.000 0.460 362 T N 1.060 115.678 114.554 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 0.331 62.469 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 3.898 122.631 118.700 0.056 0.000 2.412 363 N HA 0.054 4.794 4.740 -0.000 0.000 0.279 363 N C -1.862 173.671 175.510 0.039 0.000 1.287 363 N CA -1.275 51.800 53.050 0.042 0.000 0.948 363 N CB 0.859 39.365 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 0.776 178.092 177.300 0.027 0.000 1.148 364 P CA 0.718 63.827 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 54.760 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 1.257 178.170 176.870 0.072 0.000 1.073 366 L CA 1.001 55.773 54.840 -0.114 0.000 0.745 366 L CB -0.912 41.038 42.059 -0.182 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 1.023 175.726 174.600 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 63.605 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 0.183 174.991 174.700 0.180 0.000 2.080 368 T CA 1.398 63.590 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 1.293 nan 8.240 nan 0.000 0.911 369 S N 2.665 118.497 115.700 0.219 0.000 2.439 369 S HA 0.574 5.044 4.470 -0.000 0.000 0.282 369 S C 0.415 175.109 174.600 0.157 0.000 1.170 369 S CA -0.285 58.043 58.200 0.214 0.000 1.054 369 S CB 1.107 64.501 63.200 0.323 0.000 0.956 369 S HN 1.117 nan 8.310 nan 0.000 0.490 370 V N 1.785 121.664 119.914 -0.058 0.000 2.446 370 V HA 0.433 4.553 4.120 -0.000 0.000 0.276 370 V C -2.119 173.858 176.094 -0.194 0.000 1.030 370 V CA -1.975 60.255 62.300 -0.117 0.000 1.033 370 V CB -0.335 31.400 31.823 -0.147 0.000 0.993 370 V HN 0.793 nan 8.190 nan 0.000 0.477 371 P HA 0.453 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 0.247 63.102 63.100 -0.407 0.000 0.771 371 P CB 1.389 32.854 31.700 -0.392 0.000 0.858 372 A N 3.393 126.097 122.820 -0.192 0.000 2.555 372 A HA 0.434 4.754 4.320 -0.000 0.000 0.297 372 A C -1.360 176.198 177.584 -0.044 0.000 1.060 372 A CA -0.648 51.316 52.037 -0.121 0.000 0.710 372 A CB 0.633 19.488 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 0.480 5.007 4.527 -0.000 0.000 0.371 373 F C 0.331 176.104 175.800 -0.044 0.000 1.078 373 F CA 0.483 58.454 58.000 -0.048 0.000 1.195 373 F CB 1.088 40.076 39.000 -0.020 0.000 1.099 373 F HN 0.794 nan 8.300 nan 0.000 0.548 374 V N 7.328 126.877 119.914 -0.608 0.000 2.638 374 V HA 0.587 4.707 4.120 -0.000 0.000 0.306 374 V C -1.245 174.589 176.094 -0.434 0.000 1.052 374 V CA -0.949 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 5.795 126.880 121.223 -0.229 0.000 2.453 375 L HA 0.587 4.927 4.340 -0.000 0.000 0.261 375 L C -0.011 176.847 176.870 -0.020 0.000 1.179 375 L CA 0.290 55.064 54.840 -0.110 0.000 0.813 375 L CB 1.138 43.197 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 -0.668 175.576 176.117 0.211 0.000 1.083 376 I CA -0.456 60.933 61.300 0.148 0.000 1.080 376 I CB 1.540 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 5.777 125.662 119.800 0.141 0.000 2.294 377 Q HA 0.390 4.730 4.340 -0.000 0.000 0.257 377 Q C -0.537 175.580 176.000 0.195 0.000 0.955 377 Q CA -0.337 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 0.286 0.000 2.895 378 T HA 0.381 4.731 4.350 -0.000 0.000 0.283 378 T C 0.662 175.521 174.700 0.265 0.000 1.014 378 T CA -0.744 61.522 62.100 0.276 0.000 1.037 378 T CB 1.831 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 1.102 175.818 174.600 0.194 0.000 1.032 379 S CA 0.174 58.483 58.200 0.182 0.000 0.991 379 S CB -0.259 63.006 63.200 0.108 0.000 0.980 379 S HN 0.654 nan 8.310 nan 0.000 0.433 380 V N 4.567 124.518 119.914 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 -1.543 60.714 62.300 -0.071 0.000 1.116 380 V CB 0.348 32.141 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 0.213 177.269 177.300 -0.406 0.000 1.187 381 P CA 0.142 62.564 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 2.116 122.532 120.570 -0.257 0.000 3.427 382 I HA -0.186 3.984 4.170 -0.000 0.000 0.272 382 I C 0.688 176.632 176.117 -0.288 0.000 1.285 382 I CA 0.392 61.473 61.300 -0.365 0.000 1.300 382 I CB 0.027 37.431 38.000 -0.995 0.000 1.378 382 I HN 0.535 nan 8.210 nan 0.000 0.634 383 Q N 2.178 121.822 119.800 -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 -1.168 27.463 28.738 -0.178 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 -1.068 174.903 176.000 -0.049 0.000 0.724 384 Q CA 0.458 56.215 55.803 -0.078 0.000 0.623 384 Q CB 0.780 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 0.535 176.651 176.094 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 32.923 31.823 0.137 0.000 1.052 385 V HN 0.424 nan 8.190 nan 0.000 0.480 386 T N 4.515 119.072 114.554 0.005 0.000 2.755 386 T HA 0.079 4.429 4.350 -0.000 0.000 0.251 386 T C 0.780 175.465 174.700 -0.024 0.000 1.044 386 T CA 1.470 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 -1.531 113.009 114.554 -0.024 0.000 2.916 387 T HA 0.748 5.098 4.350 -0.000 0.000 0.292 387 T C 1.367 176.045 174.700 -0.036 0.000 1.055 387 T CA -0.248 61.830 62.100 -0.037 0.000 1.009 387 T CB 1.740 70.590 68.868 -0.031 0.000 1.118 387 T HN 0.109 nan 8.240 nan 0.000 0.497 388 A N 1.613 124.403 122.820 -0.050 0.000 1.968 388 A HA -0.230 4.090 4.320 -0.000 0.000 0.227 388 A C 2.506 180.078 177.584 -0.020 0.000 1.381 388 A CA 3.140 55.150 52.037 -0.044 0.000 0.697 388 A CB -1.713 17.262 19.000 -0.041 0.000 0.836 388 A HN 1.719 nan 8.150 nan 0.000 0.497 389 A N -1.294 121.519 122.820 -0.011 0.000 2.178 389 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 389 A C 1.831 179.423 177.584 0.013 0.000 1.157 389 A CA 1.643 53.681 52.037 0.001 0.000 0.689 389 A CB -0.806 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 -0.700 118.008 118.700 0.012 0.000 2.290 390 N HA 0.088 4.828 4.740 -0.000 0.000 0.179 390 N C 0.002 175.545 175.510 0.055 0.000 1.016 390 N CA 0.032 53.101 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 5.083 119.688 114.554 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 0.767 5.087 4.320 -0.000 0.000 0.289 393 A C -1.695 175.921 177.584 0.054 0.000 1.151 393 A CA -0.757 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 0.371 nan 8.150 nan 0.000 0.419 394 I N 1.016 121.614 120.570 0.045 0.000 2.529 394 I HA 0.307 4.477 4.170 -0.000 0.000 0.284 394 I C -0.760 175.379 176.117 0.036 0.000 1.088 394 I CA -0.172 61.148 61.300 0.034 0.000 1.062 394 I CB 2.363 40.373 38.000 0.017 0.000 1.218 394 I HN 0.563 nan 8.210 nan 0.000 0.442 395 T N 5.331 119.901 114.554 0.027 0.000 2.767 395 T HA 0.292 4.642 4.350 -0.000 0.000 0.284 395 T C 0.123 174.822 174.700 -0.002 0.000 0.973 395 T CA -0.372 61.750 62.100 0.038 0.000 0.996 395 T CB 1.890 70.790 68.868 0.054 0.000 0.927 395 T HN 0.177 nan 8.240 nan 0.000 0.456 396 V N 5.088 125.000 119.914 -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 32.068 31.823 -0.365 0.000 1.242 396 V HN 0.823 nan 8.190 nan 0.000 0.497 397 V N 3.755 123.687 119.914 0.030 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 1.854 64.226 62.300 0.120 0.000 1.141 397 V CB 0.439 32.392 31.823 0.218 0.000 0.735 397 V HN 0.840 nan 8.190 nan 0.000 0.498 398 S N -0.846 114.906 115.700 0.087 0.000 2.240 398 S HA 0.583 5.053 4.470 -0.000 0.000 0.234 398 S C -0.501 174.101 174.600 0.005 0.000 0.850 398 S CA -0.102 58.144 58.200 0.078 0.000 1.015 398 S CB 0.119 63.393 63.200 0.124 0.000 1.268 398 S HN 0.761 nan 8.310 nan 0.000 0.384 399 A N 3.002 125.780 122.820 -0.070 0.000 2.252 399 A HA 0.937 5.257 4.320 -0.000 0.000 0.305 399 A C 0.427 177.995 177.584 -0.027 0.000 1.097 399 A CA -0.138 51.811 52.037 -0.147 0.000 0.849 399 A CB 0.833 19.603 19.000 -0.384 0.000 1.142 399 A HN 1.580 nan 8.150 nan 0.000 0.499 400 A N 0.476 123.267 122.820 -0.048 0.000 2.256 400 A HA 0.603 4.923 4.320 -0.000 0.000 0.317 400 A C 0.621 178.208 177.584 0.004 0.000 1.318 400 A CA 0.044 52.070 52.037 -0.019 0.000 0.894 400 A CB -0.147 18.824 19.000 -0.048 0.000 1.165 400 A HN 1.705 nan 8.150 nan 0.000 0.525 401 G N 1.478 110.299 108.800 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 0.537 175.449 174.900 0.019 0.000 1.295 401 G CA 0.729 45.859 45.100 0.050 0.000 0.884 401 G HN 2.531 nan 8.290 nan 0.000 0.537 402 A N 1.196 124.036 122.820 0.033 0.000 2.435 402 A HA 0.291 4.611 4.320 -0.000 0.000 0.686 402 A C 0.780 178.369 177.584 0.007 0.000 0.138 402 A CA 0.217 52.267 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 0.523 4.993 4.470 -0.000 0.000 0.252 403 S C 0.946 175.576 174.600 0.049 0.000 1.369 403 S CA 0.221 58.459 58.200 0.062 0.000 0.975 403 S CB 0.707 63.969 63.200 0.104 0.000 0.937 403 S HN 2.406 nan 8.310 nan 0.000 0.584 404 A N 0.514 123.412 122.820 0.129 0.000 3.056 404 A HA 0.617 4.937 4.320 -0.000 0.000 0.274 404 A C 0.296 178.041 177.584 0.269 0.000 1.661 404 A CA -0.485 51.645 52.037 0.154 0.000 1.363 404 A CB -1.398 17.855 19.000 0.421 0.000 1.139 404 A HN 1.115 nan 8.150 nan 0.000 0.598 405 I N 0.077 120.760 120.570 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 0.272 61.757 61.300 0.309 0.000 0.671 405 I CB -0.566 37.573 38.000 0.231 0.000 2.647 405 I HN 0.667 nan 8.210 nan 0.000 0.786 406 N N -0.576 118.144 118.700 0.034 0.000 1.895 406 N HA 0.068 4.808 4.740 -0.000 0.000 0.243 406 N C 0.595 176.057 175.510 -0.081 0.000 1.350 406 N CA 0.075 53.119 53.050 -0.009 0.000 0.789 406 N CB 0.517 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 1.709 122.827 121.223 -0.175 0.000 2.529 407 L HA 0.428 4.768 4.340 -0.000 0.000 0.223 407 L C 1.261 177.895 176.870 -0.393 0.000 1.113 407 L CA 0.468 55.106 54.840 -0.336 0.000 0.861 407 L CB -0.551 41.160 42.059 -0.581 0.000 1.012 407 L HN 0.134 nan 8.230 nan 0.000 0.461 408 A N 0.092 122.747 122.820 -0.274 0.000 2.251 408 A HA 0.608 4.928 4.320 -0.000 0.000 0.278 408 A C -0.068 177.465 177.584 -0.085 0.000 1.206 408 A CA -0.112 51.793 52.037 -0.221 0.000 0.822 408 A CB 0.567 19.408 19.000 -0.266 0.000 1.187 408 A HN 0.151 nan 8.150 nan 0.000 0.504 409 I N -0.212 120.335 120.570 -0.039 0.000 2.785 409 I HA 0.119 4.289 4.170 -0.000 0.000 0.277 409 I C -1.270 174.863 176.117 0.026 0.000 1.591 409 I CA -0.405 60.899 61.300 0.008 0.000 1.150 409 I CB 0.680 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 5.605 124.336 118.700 0.052 0.000 2.452 410 N HA 0.318 5.058 4.740 -0.000 0.000 0.266 410 N C -0.370 175.167 175.510 0.045 0.000 1.209 410 N CA 0.045 53.131 53.050 0.060 0.000 0.929 410 N CB 1.006 39.539 38.487 0.077 0.000 1.063 410 N HN 0.401 nan 8.380 nan 0.000 0.472 411 V N 4.813 124.753 119.914 0.043 0.000 2.759 411 V HA 0.358 4.478 4.120 -0.000 0.000 0.342 411 V C -0.114 176.002 176.094 0.037 0.000 1.228 411 V CA -0.381 61.942 62.300 0.037 0.000 1.302 411 V CB -1.070 30.775 31.823 0.037 0.000 1.496 411 V HN 0.902 nan 8.190 nan 0.000 0.628 412 R N 0.565 121.089 120.500 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 0.271 56.393 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 0.948 nan 8.270 nan 0.000 0.400 413 G N 0.827 109.657 108.800 0.051 0.000 5.229 413 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.250 413 G HA3 -0.436 3.524 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 0.450 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 -0.764 55.073 55.803 0.057 0.000 0.923 414 Q CB 0.401 29.166 28.738 0.045 0.000 1.477 414 Q HN 0.444 nan 8.270 nan 0.000 0.484 415 P HA -0.019 nan 4.420 nan 0.000 0.267 415 P C -0.455 176.843 177.300 -0.005 0.000 1.209 415 P CA 0.246 63.336 63.100 -0.016 0.000 0.763 415 P CB 0.762 32.368 31.700 -0.157 0.000 0.816 416 R N 2.693 123.218 120.500 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 0.221 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 0.782 120.713 119.950 -0.031 0.000 2.404 417 F HA 0.265 4.792 4.527 -0.000 0.000 0.354 417 F C 0.884 176.675 175.800 -0.015 0.000 1.122 417 F CA -0.443 57.540 58.000 -0.029 0.000 1.080 417 F CB 1.002 39.990 39.000 -0.020 0.000 1.131 417 F HN 0.264 nan 8.300 nan 0.000 0.471 418 N N 5.282 123.973 118.700 -0.015 0.000 2.414 418 N HA -0.028 4.712 4.740 -0.000 0.000 0.268 418 N C 0.241 175.770 175.510 0.033 0.000 1.286 418 N CA -0.273 52.770 53.050 -0.010 0.000 0.896 418 N CB 0.441 38.887 38.487 -0.068 0.000 1.093 418 N HN 0.527 nan 8.380 nan 0.000 0.480 419 M N 4.908 124.543 119.600 0.058 0.000 2.563 419 M HA -0.111 4.369 4.480 -0.000 0.000 0.423 419 M C -1.025 175.292 176.300 0.029 0.000 1.706 419 M CA 1.010 56.356 55.300 0.076 0.000 1.001 419 M CB -0.952 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 3.948 125.232 121.223 0.102 0.000 2.409 420 L HA 0.606 4.946 4.340 -0.000 0.000 0.262 420 L C -1.412 175.603 176.870 0.241 0.000 0.992 420 L CA -0.673 54.199 54.840 0.054 0.000 0.817 420 L CB 2.116 44.190 42.059 0.025 0.000 1.350 420 L HN 0.505 nan 8.230 nan 0.000 0.411 421 H N 3.366 122.436 119.070 -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 1.207 30.954 29.762 -0.026 0.000 1.394 421 H HN 0.511 nan 8.280 nan 0.000 0.477 422 L N 2.657 123.933 121.223 0.089 0.000 2.475 422 L HA 0.281 4.621 4.340 -0.000 0.000 0.253 422 L C 0.153 177.006 176.870 -0.027 0.000 1.198 422 L CA -0.476 54.390 54.840 0.042 0.000 0.814 422 L CB 0.300 42.395 42.059 0.059 0.000 1.134 422 L HN 0.684 nan 8.230 nan 0.000 0.478 423 Q N 0.305 120.082 119.800 -0.039 0.000 2.613 423 Q HA 0.606 4.946 4.340 -0.000 0.000 0.231 423 Q C -1.780 174.182 176.000 -0.064 0.000 0.879 423 Q CA -0.622 55.108 55.803 -0.121 0.000 1.083 423 Q CB 0.872 29.573 28.738 -0.061 0.000 1.588 423 Q HN 0.754 nan 8.270 nan 0.000 0.500 424 A N 1.750 124.494 122.820 -0.126 0.000 2.257 424 A HA 0.867 5.187 4.320 -0.000 0.000 0.290 424 A C 0.051 177.650 177.584 0.026 0.000 1.201 424 A CA -0.238 51.823 52.037 0.040 0.000 0.863 424 A CB 1.180 20.302 19.000 0.203 0.000 1.256 424 A HN 0.719 nan 8.150 nan 0.000 0.506 425 T N 0.610 115.216 114.554 0.086 0.000 3.816 425 T HA 0.228 4.578 4.350 -0.000 0.000 0.232 425 T C -0.541 174.211 174.700 0.087 0.000 1.125 425 T CA -0.219 61.917 62.100 0.059 0.000 1.609 425 T CB -0.672 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 3.195 123.162 119.950 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 0.256 58.281 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 6.775 126.286 120.200 -1.148 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 31.002 29.700 -0.371 0.000 1.214 427 E HN 0.705 nan 8.360 nan 0.000 0.417 428 R N 1.842 121.909 120.500 -0.722 0.000 2.327 428 R HA -0.312 4.028 4.340 -0.000 0.000 0.239 428 R C 1.600 177.786 176.300 -0.191 0.000 1.085 428 R CA 2.797 58.717 56.100 -0.300 0.000 0.890 428 R CB -0.265 29.966 30.300 -0.114 0.000 0.983 428 R HN 0.699 nan 8.270 nan 0.000 0.419 429 E N -0.055 120.042 120.200 -0.172 0.000 2.299 429 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 429 E C 1.495 178.044 176.600 -0.085 0.000 0.998 429 E CA 1.348 57.692 56.400 -0.093 0.000 0.851 429 E CB -0.228 29.429 29.700 -0.071 0.000 0.795 429 E HN 0.490 nan 8.360 nan 0.000 0.492 430 T N -0.435 114.037 114.554 -0.137 0.000 2.946 430 T HA -0.075 4.275 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 0.721 62.780 62.100 -0.068 0.000 1.114 430 T CB -0.331 68.486 68.868 -0.084 0.000 0.867 430 T HN 0.229 nan 8.240 nan 0.000 0.513 431 I N 2.076 122.665 120.570 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 -0.423 60.931 61.300 0.090 0.000 1.163 431 I CB -0.106 38.034 38.000 0.233 0.000 1.339 431 I HN 0.164 nan 8.210 nan 0.000 0.449 432 T N 0.699 115.254 114.554 0.002 0.000 2.930 432 T HA 0.302 4.652 4.350 -0.000 0.000 0.306 432 T C 1.299 175.986 174.700 -0.022 0.000 1.045 432 T CA 0.800 62.893 62.100 -0.012 0.000 1.134 432 T CB 1.421 70.280 68.868 -0.016 0.000 0.961 432 T HN 0.692 nan 8.240 nan 0.000 0.545 433 G N 2.978 111.757 108.800 -0.036 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 0.005 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 3.768 124.294 120.570 -0.073 0.000 3.683 434 I HA -0.100 4.070 4.170 -0.000 0.000 0.302 434 I C -0.548 175.441 176.117 -0.213 0.000 1.225 434 I CA 0.328 61.567 61.300 -0.101 0.000 1.536 434 I CB 0.035 38.006 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 -0.543 176.163 177.300 -0.989 0.000 1.153 435 P CA 1.594 64.233 63.100 -0.770 0.000 0.853 435 P CB 0.121 31.166 31.700 -1.093 0.000 0.788 436 Y N -1.088 119.172 120.300 -0.066 0.000 2.338 436 Y HA 0.664 5.214 4.550 -0.000 0.000 0.333 436 Y C 0.039 175.777 175.900 -0.271 0.000 0.968 436 Y CA -1.233 56.772 58.100 -0.158 0.000 1.123 436 Y CB 1.515 40.011 38.460 0.060 0.000 1.165 436 Y HN -0.223 nan 8.280 nan 0.000 0.452 437 I N 3.313 123.527 120.570 -0.592 0.000 2.753 437 I HA 0.521 4.691 4.170 -0.000 0.000 0.291 437 I C -2.226 173.347 176.117 -0.907 0.000 1.425 437 I CA -0.708 60.315 61.300 -0.462 0.000 1.039 437 I CB 1.855 39.748 38.000 -0.179 0.000 1.349 437 I HN 0.591 nan 8.210 nan 0.000 0.430 438 Y N 4.517 124.834 120.300 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 57.120 58.100 -0.016 0.000 1.025 438 Y CB 2.118 40.551 38.460 -0.044 0.000 1.263 438 Y HN 0.559 nan 8.280 nan 0.000 0.454 439 G N 2.829 111.685 108.800 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 -1.411 173.432 174.900 -0.096 0.000 1.172 439 G CA -0.490 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 2.723 123.668 121.223 -0.463 0.000 2.439 440 L HA 0.582 4.922 4.340 -0.000 0.000 0.270 440 L C 0.391 177.069 176.870 -0.320 0.000 0.972 440 L CA -0.966 53.757 54.840 -0.195 0.000 0.836 440 L CB 2.041 44.076 42.059 -0.039 0.000 1.255 440 L HN 0.629 nan 8.230 nan 0.000 0.404 441 G N 2.228 111.054 108.800 0.042 0.000 3.161 441 G HA2 0.283 4.243 3.960 -0.000 0.000 0.293 441 G HA3 0.283 4.243 3.960 -0.000 0.000 0.293 441 G C 0.099 175.015 174.900 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 0.275 114.810 114.554 -0.031 0.000 3.204 442 T HA 0.446 4.796 4.350 -0.000 0.000 0.312 442 T C 0.717 175.424 174.700 0.013 0.000 1.254 442 T CA -0.216 61.894 62.100 0.017 0.000 0.913 442 T CB 0.629 69.502 68.868 0.009 0.000 2.143 442 T HN 0.147 nan 8.240 nan 0.000 0.569 443 F N -0.629 119.297 119.950 -0.041 0.000 2.667 443 F HA 0.529 5.056 4.527 -0.000 0.000 0.288 443 F C 0.422 176.181 175.800 -0.069 0.000 1.086 443 F CA -0.201 57.784 58.000 -0.024 0.000 1.297 443 F CB 0.445 39.448 39.000 0.004 0.000 1.059 443 F HN 0.335 nan 8.300 nan 0.000 0.624 444 L N 2.229 123.523 121.223 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 -0.115 54.734 54.840 0.015 0.000 1.096 444 L CB -1.518 40.395 42.059 -0.243 0.000 1.617 444 L HN 0.025 nan 8.230 nan 0.000 0.873 445 I N 3.495 124.170 120.570 0.174 0.000 2.556 445 I HA 0.088 4.258 4.170 -0.000 0.000 0.284 445 I C -0.627 175.667 176.117 0.296 0.000 1.114 445 I CA -1.440 59.975 61.300 0.190 0.000 1.418 445 I CB 0.699 38.758 38.000 0.098 0.000 1.394 445 I HN 0.168 nan 8.210 nan 0.000 0.552 446 P HA -0.038 nan 4.420 nan 0.000 0.245 446 P C -0.215 177.176 177.300 0.152 0.000 1.212 446 P CA 0.530 63.852 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 -1.412 114.359 115.700 0.117 0.000 2.305 447 S HA 0.245 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 -1.218 57.017 58.200 0.059 0.000 1.007 447 S CB 0.191 63.418 63.200 0.045 0.000 1.334 447 S HN -0.088 nan 8.310 nan 0.000 0.380 448 P HA 0.321 nan 4.420 nan 0.000 0.265 448 P C -0.313 176.980 177.300 -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 1.414 176.092 174.700 -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 69.889 68.868 -0.003 0.000 1.291 449 T HN 0.151 nan 8.240 nan 0.000 0.523 450 S N 1.199 116.888 115.700 -0.019 0.000 2.399 450 S HA -0.128 4.342 4.470 -0.000 0.000 0.231 450 S C 2.360 176.975 174.600 0.024 0.000 1.022 450 S CA 1.525 59.716 58.200 -0.015 0.000 0.983 450 S CB -0.422 62.792 63.200 0.023 0.000 0.803 450 S HN 0.813 nan 8.310 nan 0.000 0.480 451 S N 1.554 117.278 115.700 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 0.869 59.117 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 2.442 118.138 115.700 -0.008 0.000 3.513 452 S HA 0.350 4.820 4.470 -0.000 0.000 0.209 452 S C 0.446 174.962 174.600 -0.140 0.000 1.446 452 S CA -0.547 57.623 58.200 -0.050 0.000 1.150 452 S CB -0.464 62.693 63.200 -0.072 0.000 1.266 452 S HN 0.425 nan 8.310 nan 0.000 0.502 453 N N 0.418 118.963 118.700 -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 -0.998 0.000 1.148 453 N CA 0.449 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 -1.219 118.715 119.950 -0.027 0.000 2.936 454 F HA 0.392 4.919 4.527 -0.000 0.000 0.334 454 F C 1.651 177.435 175.800 -0.027 0.000 1.170 454 F CA -0.342 57.645 58.000 -0.023 0.000 1.104 454 F CB 0.151 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 0.128 115.873 115.700 0.076 0.000 2.327 455 S HA -0.063 4.407 4.470 -0.000 0.000 0.213 455 S C 0.457 175.050 174.600 -0.011 0.000 1.032 455 S CA 0.789 59.002 58.200 0.023 0.000 0.960 455 S CB -0.393 62.785 63.200 -0.037 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 -2.857 172.636 175.510 -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 38.590 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 0.083 177.519 177.300 0.227 0.000 1.461 457 P CA 0.374 63.511 63.100 0.062 0.000 0.809 457 P CB 0.009 31.732 31.700 0.038 0.000 1.503 458 T N 0.888 115.492 114.554 0.084 0.000 2.784 458 T HA 0.103 4.453 4.350 -0.000 0.000 0.291 458 T C 1.081 175.795 174.700 0.023 0.000 0.942 458 T CA -0.192 61.935 62.100 0.046 0.000 1.161 458 T CB -0.309 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 5.631 126.859 121.223 0.008 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 -0.226 54.562 54.840 -0.087 0.000 0.917 459 L CB -0.234 41.726 42.059 -0.165 0.000 1.104 459 L HN 0.674 nan 8.230 nan 0.000 0.445 460 M N -0.047 119.509 119.600 -0.073 0.000 2.446 460 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 1.066 460 M CA 1.049 56.301 55.300 -0.080 0.000 1.087 460 M CB -0.899 31.658 32.600 -0.072 0.000 1.406 460 M HN 0.343 nan 8.290 nan 0.000 0.459 461 D N -0.043 120.193 120.400 -0.274 0.000 2.351 461 D HA -0.045 4.595 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 0.534 54.306 54.000 -0.378 0.000 0.899 461 D CB -0.638 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 0.297 109.025 108.800 -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 1.693 122.904 121.223 -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 54.004 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 0.437 nan 8.230 nan 0.000 0.435 464 L N 4.361 125.571 121.223 -0.022 0.000 2.416 464 L HA 0.326 4.666 4.340 -0.000 0.000 0.272 464 L C -0.240 176.545 176.870 -0.142 0.000 1.161 464 L CA 0.760 55.566 54.840 -0.056 0.000 0.845 464 L CB 1.205 43.307 42.059 0.073 0.000 1.119 464 L HN 0.443 nan 8.230 nan 0.000 0.464 465 T N 5.464 119.894 114.554 -0.207 0.000 3.064 465 T HA 0.288 4.638 4.350 -0.000 0.000 0.367 465 T C -0.532 174.029 174.700 -0.231 0.000 1.202 465 T CA -0.299 61.642 62.100 -0.265 0.000 1.133 465 T CB 0.722 69.451 68.868 -0.232 0.000 1.074 465 T HN 0.655 nan 8.240 nan 0.000 0.519 466 V N 4.202 123.964 119.914 -0.254 0.000 2.614 466 V HA 0.697 4.817 4.120 -0.000 0.000 0.291 466 V C 0.037 176.028 176.094 -0.172 0.000 1.049 466 V CA 0.078 62.269 62.300 -0.182 0.000 1.038 466 V CB 0.881 32.605 31.823 -0.166 0.000 0.980 466 V HN 0.932 nan 8.190 nan 0.000 0.481 467 T N 5.821 120.305 114.554 -0.116 0.000 2.963 467 T HA 0.490 4.840 4.350 -0.000 0.000 0.328 467 T C -2.679 171.985 174.700 -0.061 0.000 1.048 467 T CA -1.732 60.313 62.100 -0.092 0.000 1.033 467 T CB 1.209 70.030 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 0.798 32.474 31.700 -0.040 0.000 0.758 469 V N 7.141 127.044 119.914 -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 5.272 126.486 121.223 -0.016 0.000 4.450 470 L HA 0.027 4.367 4.340 -0.000 0.000 0.217 470 L C 0.377 177.242 176.870 -0.009 0.000 1.090 470 L CA -0.096 54.736 54.840 -0.014 0.000 1.395 470 L CB 0.168 42.215 42.059 -0.019 0.000 1.704 470 L HN 0.302 nan 8.230 nan 0.000 0.713 471 L N 1.644 122.862 121.223 -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 41.356 42.059 0.003 0.000 0.889 471 L HN 0.709 nan 8.230 nan 0.000 0.433 472 R N 0.574 121.077 120.500 0.006 0.000 2.153 472 R HA -0.171 4.169 4.340 -0.000 0.000 0.252 472 R C 0.469 176.776 176.300 0.011 0.000 1.158 472 R CA 1.161 57.268 56.100 0.011 0.000 0.975 472 R CB -0.643 29.662 30.300 0.008 0.000 0.871 472 R HN 0.459 nan 8.270 nan 0.000 0.450 473 E N 1.318 121.522 120.200 0.006 0.000 2.146 473 E HA 0.139 4.489 4.350 -0.000 0.000 0.282 473 E C -0.713 175.889 176.600 0.004 0.000 0.989 473 E CA -0.266 56.140 56.400 0.010 0.000 0.799 473 E CB 1.879 31.587 29.700 0.013 0.000 1.088 473 E HN 0.092 nan 8.360 nan 0.000 0.397 474 T N 1.491 116.047 114.554 0.002 0.000 2.893 474 T HA 0.437 4.787 4.350 -0.000 0.000 0.279 474 T C -0.479 174.234 174.700 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 1.747 116.324 114.554 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 1.067 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 2.737 123.046 120.300 0.016 0.000 2.361 476 Y HA 0.367 4.917 4.550 -0.000 0.000 0.328 476 Y C 0.116 176.038 175.900 0.036 0.000 1.044 476 Y CA -1.398 56.714 58.100 0.020 0.000 1.085 476 Y CB 0.961 39.424 38.460 0.005 0.000 1.194 476 Y HN 0.574 nan 8.280 nan 0.000 0.438 477 K N 3.850 123.930 120.400 -0.534 0.000 3.130 477 K HA -0.214 4.106 4.320 -0.000 0.000 0.282 477 K C 0.829 177.340 176.600 -0.150 0.000 1.145 477 K CA 1.338 57.361 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 -0.834 107.945 108.800 -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 0.305 45.421 45.100 0.026 0.000 0.644 478 G HN 0.326 nan 8.290 nan 0.000 0.508 479 E N -0.431 119.794 120.200 0.042 0.000 2.221 479 E HA 0.665 5.015 4.350 -0.000 0.000 0.268 479 E C -0.004 176.643 176.600 0.078 0.000 0.933 479 E CA -0.613 55.821 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 2.777 122.732 119.914 0.068 0.000 2.407 480 V HA 0.440 4.560 4.120 -0.000 0.000 0.278 480 V C -0.138 175.991 176.094 0.058 0.000 1.037 480 V CA -0.417 61.923 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 3.067 123.014 119.914 0.056 0.000 3.119 481 V HA 0.547 4.667 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 1.790 42.605 40.800 0.025 0.000 1.055 482 D HN 0.677 nan 8.370 nan 0.000 0.512 483 A N 0.747 123.589 122.820 0.038 0.000 2.549 483 A HA 0.642 4.962 4.320 -0.000 0.000 0.297 483 A C -0.732 176.871 177.584 0.033 0.000 1.061 483 A CA -0.558 51.510 52.037 0.052 0.000 0.690 483 A CB 1.464 20.492 19.000 0.047 0.000 1.287 483 A HN -0.023 nan 8.150 nan 0.000 0.402 484 I N 0.271 120.871 120.570 0.051 0.000 3.062 484 I HA 0.524 4.694 4.170 -0.000 0.000 0.316 484 I C -0.100 176.025 176.117 0.014 0.000 1.041 484 I CA -0.928 60.354 61.300 -0.030 0.000 1.069 484 I CB 1.945 39.866 38.000 -0.131 0.000 1.300 484 I HN 0.263 nan 8.210 nan 0.000 0.518 485 V N 3.264 123.153 119.914 -0.043 0.000 2.711 485 V HA 0.155 4.275 4.120 -0.000 0.000 0.335 485 V C -1.752 174.343 176.094 0.000 0.000 1.235 485 V CA -1.043 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 0.596 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 -0.230 31.550 31.700 0.133 0.000 0.715 487 A N -2.224 120.622 122.820 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 3.101 55.162 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 0.405 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 1.569 63.702 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 0.230 nan 8.240 nan 0.000 0.444 489 V N 1.647 121.558 119.914 -0.005 0.000 3.305 489 V HA 0.053 4.173 4.120 -0.000 0.000 0.269 489 V C 0.828 176.969 176.094 0.079 0.000 1.157 489 V CA 0.425 62.743 62.300 0.029 0.000 1.157 489 V CB -0.934 30.803 31.823 -0.143 0.000 0.772 489 V HN 0.426 nan 8.190 nan 0.000 0.498 490 M N 0.064 119.707 119.600 0.072 0.000 2.235 490 M HA 0.422 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 -0.039 55.308 55.300 0.079 0.000 1.143 490 M CB -0.244 32.399 32.600 0.071 0.000 1.530 490 M HN 0.238 nan 8.290 nan 0.000 0.461 491 A N 2.974 125.840 122.820 0.077 0.000 2.409 491 A HA -0.220 4.100 4.320 -0.000 0.000 0.290 491 A C 0.916 178.541 177.584 0.069 0.000 1.440 491 A CA 1.331 53.408 52.037 0.067 0.000 0.775 491 A CB -1.807 17.227 19.000 0.056 0.000 1.069 491 A HN 0.920 nan 8.150 nan 0.000 0.389 492 N N -2.106 116.645 118.700 0.085 0.000 2.075 492 N HA 0.030 4.770 4.740 -0.000 0.000 0.226 492 N C 0.104 175.665 175.510 0.085 0.000 1.343 492 N CA 0.168 53.274 53.050 0.093 0.000 0.881 492 N CB 0.374 38.946 38.487 0.142 0.000 1.100 492 N HN 0.625 nan 8.380 nan 0.000 0.495 493 Q N 0.490 120.343 119.800 0.088 0.000 2.180 493 Q HA 0.326 4.666 4.340 -0.000 0.000 0.241 493 Q C 0.375 176.404 176.000 0.048 0.000 0.970 493 Q CA -0.259 55.587 55.803 0.072 0.000 0.919 493 Q CB 1.329 30.121 28.738 0.090 0.000 1.222 493 Q HN 0.183 nan 8.270 nan 0.000 0.482 494 T N -3.255 111.319 114.554 0.033 0.000 2.922 494 T HA 0.383 4.733 4.350 -0.000 0.000 0.281 494 T C 1.032 175.748 174.700 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 60.392 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 0.566 120.777 120.200 0.018 0.000 2.481 496 E HA 0.118 4.468 4.350 -0.000 0.000 0.198 496 E C 1.300 177.916 176.600 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 0.984 121.198 120.200 0.024 0.000 2.526 497 E HA -0.020 4.330 4.350 -0.000 0.000 0.198 497 E C 1.047 177.687 176.600 0.067 0.000 1.091 497 E CA 0.131 56.549 56.400 0.030 0.000 0.880 497 E CB 0.411 30.122 29.700 0.018 0.000 0.873 497 E HN 0.142 nan 8.360 nan 0.000 0.527 498 V N -0.310 119.645 119.914 0.069 0.000 2.840 498 V HA 0.087 4.207 4.120 -0.000 0.000 0.234 498 V C 2.006 178.158 176.094 0.095 0.000 1.159 498 V CA 1.078 63.427 62.300 0.083 0.000 1.194 498 V CB 0.021 31.884 31.823 0.067 0.000 0.971 498 V HN 0.314 nan 8.190 nan 0.000 0.494 499 A N -0.706 122.165 122.820 0.084 0.000 2.125 499 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 499 A C 2.200 179.874 177.584 0.150 0.000 1.156 499 A CA 1.934 54.034 52.037 0.105 0.000 0.671 499 A CB -0.359 18.689 19.000 0.080 0.000 0.794 499 A HN 0.437 nan 8.150 nan 0.000 0.459 500 S N -0.869 114.905 115.700 0.123 0.000 2.577 500 S HA 0.521 4.991 4.470 -0.000 0.000 0.219 500 S C 0.858 175.583 174.600 0.209 0.000 0.962 500 S CA 0.308 58.578 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 1.445 124.391 122.820 0.210 0.000 2.492 501 A HA 0.361 4.681 4.320 -0.000 0.000 0.236 501 A C 0.020 177.720 177.584 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 2.318 123.550 121.223 0.015 0.000 2.262 502 L HA 0.486 4.826 4.340 -0.000 0.000 0.288 502 L C 0.814 177.624 176.870 -0.100 0.000 1.035 502 L CA -0.556 54.126 54.840 -0.263 0.000 0.820 502 L CB 0.577 42.134 42.059 -0.837 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 -0.028 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 1.317 53.311 52.037 -0.072 0.000 1.099 503 A CB -0.849 18.073 19.000 -0.131 0.000 0.783 503 A HN 1.090 nan 8.150 nan 0.000 0.433 504 N N 0.108 118.772 118.700 -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 1.314 54.325 53.050 -0.065 0.000 0.680 504 N CB -0.765 37.688 38.487 -0.056 0.000 0.902 504 N HN 1.058 nan 8.380 nan 0.000 0.557 505 D N -1.021 119.343 120.400 -0.059 0.000 2.490 505 D HA 0.683 5.323 4.640 -0.000 0.000 0.232 505 D C 1.285 177.544 176.300 -0.069 0.000 1.053 505 D CA -0.167 53.816 54.000 -0.027 0.000 0.914 505 D CB 0.873 41.689 40.800 0.028 0.000 1.431 505 D HN 0.169 nan 8.370 nan 0.000 0.483 506 A N 1.660 124.433 122.820 -0.077 0.000 1.893 506 A HA -0.297 4.023 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 2.659 54.535 52.037 -0.268 0.000 0.681 506 A CB -1.308 17.371 19.000 -0.535 0.000 0.842 506 A HN 0.717 nan 8.150 nan 0.000 0.468 507 I N -0.548 120.013 120.570 -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 1.889 63.210 61.300 0.035 0.000 1.314 507 I CB -0.561 37.521 38.000 0.136 0.000 1.022 507 I HN 0.220 nan 8.210 nan 0.000 0.408 508 V N 0.577 120.485 119.914 -0.011 0.000 2.759 508 V HA -0.199 3.921 4.120 -0.000 0.000 0.256 508 V C 2.174 178.228 176.094 -0.066 0.000 1.080 508 V CA 1.342 63.631 62.300 -0.018 0.000 1.101 508 V CB -0.432 31.384 31.823 -0.011 0.000 0.698 508 V HN 0.379 nan 8.190 nan 0.000 0.477 509 L N -0.616 120.505 121.223 -0.170 0.000 2.168 509 L HA 0.021 4.361 4.340 -0.000 0.000 0.203 509 L C 2.000 178.732 176.870 -0.230 0.000 1.078 509 L CA 0.714 55.373 54.840 -0.303 0.000 0.780 509 L CB -0.151 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 1.088 63.386 62.300 -0.003 0.000 1.182 510 V CB 0.047 31.847 31.823 -0.037 0.000 0.925 510 V HN 0.305 nan 8.190 nan 0.000 0.462 511 S N 0.172 115.909 115.700 0.061 0.000 2.599 511 S HA 0.057 4.527 4.470 -0.000 0.000 0.236 511 S C 1.738 176.389 174.600 0.086 0.000 1.077 511 S CA 0.272 58.513 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 0.754 119.511 118.700 0.096 0.000 2.331 512 N HA 0.019 4.759 4.740 -0.000 0.000 0.180 512 N C 1.347 176.980 175.510 0.205 0.000 1.019 512 N CA 0.959 54.078 53.050 0.116 0.000 0.881 512 N CB -0.241 38.303 38.487 0.094 0.000 0.972 512 N HN 0.425 nan 8.380 nan 0.000 0.435 513 H N 0.367 119.519 119.070 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 0.296 0.000 1.409 513 H HN 0.012 nan 8.280 nan 0.000 0.515 514 L N 0.158 121.513 121.223 0.220 0.000 2.081 514 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 514 L C 2.039 178.975 176.870 0.110 0.000 1.080 514 L CA 1.547 56.511 54.840 0.207 0.000 0.754 514 L CB -0.556 41.647 42.059 0.240 0.000 0.893 514 L HN 0.321 nan 8.230 nan 0.000 0.433 515 N N -0.235 118.497 118.700 0.053 0.000 2.205 515 N HA -0.159 4.581 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 0.965 54.016 53.050 0.002 0.000 0.862 515 N CB 0.045 38.540 38.487 0.014 0.000 0.986 515 N HN 0.200 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 1.827 178.435 176.600 0.015 0.000 1.047 516 K CA 0.398 56.691 56.287 0.010 0.000 0.937 516 K CB -1.000 31.492 32.500 -0.013 0.000 0.718 516 K HN 0.203 nan 8.250 nan 0.000 0.438 517 L N 1.375 122.605 121.223 0.011 0.000 2.187 517 L HA -0.089 4.251 4.340 -0.000 0.000 0.213 517 L C 1.944 178.933 176.870 0.197 0.000 1.100 517 L CA 1.727 56.608 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 -0.341 122.592 122.820 0.189 0.000 2.014 518 A HA -0.151 4.169 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 1.277 53.394 52.037 0.133 0.000 0.652 518 A CB -0.380 18.513 19.000 -0.178 0.000 0.808 518 A HN 0.548 nan 8.150 nan 0.000 0.449 519 N N -0.488 118.238 118.700 0.045 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 0.341 38.837 38.487 0.014 0.000 0.988 519 N HN 0.260 nan 8.380 nan 0.000 0.457 520 V N 1.100 121.040 119.914 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 -0.536 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 0.098 120.056 119.914 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 2.125 64.472 62.300 0.078 0.000 1.014 521 V CB -2.003 29.896 31.823 0.126 0.000 0.645 521 V HN 0.422 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 46.541 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 55.153 54.000 0.024 0.000 0.889 523 D CB -0.311 40.501 40.800 0.021 0.000 1.018 523 D HN 0.208 nan 8.370 nan 0.000 0.448 524 A N 1.440 124.274 122.820 0.024 0.000 1.835 524 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 524 A C 1.537 179.135 177.584 0.022 0.000 1.199 524 A CA 0.711 52.760 52.037 0.021 0.000 0.615 524 A CB -0.875 18.135 19.000 0.018 0.000 0.838 524 A HN 0.280 nan 8.150 nan 0.000 0.444 525 I N 1.280 121.866 120.570 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 -1.326 59.991 61.300 0.029 0.000 1.417 525 I CB 0.725 38.745 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 0.372 177.692 177.300 0.034 0.000 1.816 526 P CA -0.059 63.057 63.100 0.027 0.000 0.944 526 P CB -0.040 31.671 31.700 0.018 0.000 1.896 527 V N -0.005 119.937 119.914 0.045 0.000 3.564 527 V HA 0.108 4.228 4.120 -0.000 0.000 0.283 527 V C 1.549 177.674 176.094 0.050 0.000 1.227 527 V CA 1.087 63.421 62.300 0.057 0.000 1.217 527 V CB -1.440 30.430 31.823 0.078 0.000 0.994 527 V HN 0.401 nan 8.190 nan 0.000 0.446 528 A N 0.214 123.056 122.820 0.038 0.000 2.795 528 A HA 0.688 5.008 4.320 -0.000 0.000 0.282 528 A C 0.350 177.949 177.584 0.024 0.000 0.964 528 A CA 0.318 52.373 52.037 0.031 0.000 1.045 528 A CB 0.296 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 -1.402 114.312 115.700 0.023 0.000 2.611 529 S HA 0.463 4.933 4.470 -0.000 0.000 0.268 529 S C -0.199 174.408 174.600 0.013 0.000 1.156 529 S CA -0.914 57.295 58.200 0.015 0.000 0.817 529 S CB 0.786 63.992 63.200 0.009 0.000 1.122 529 S HN 0.276 nan 8.310 nan 0.000 0.466 530 R N 1.071 121.573 120.500 0.004 0.000 2.858 530 R HA 0.095 4.435 4.340 -0.000 0.000 0.228 530 R C 0.902 177.189 176.300 -0.022 0.000 1.471 530 R CA 0.763 56.861 56.100 -0.003 0.000 1.342 530 R CB -0.937 29.358 30.300 -0.009 0.000 1.152 530 R HN 0.816 nan 8.270 nan 0.000 0.521 531 T N -2.472 112.072 114.554 -0.016 0.000 3.278 531 T HA -0.005 4.345 4.350 -0.000 0.000 0.251 531 T C 0.222 174.896 174.700 -0.044 0.000 1.039 531 T CA -0.513 61.567 62.100 -0.034 0.000 0.935 531 T CB -0.086 68.770 68.868 -0.019 0.000 1.034 531 T HN 0.133 nan 8.240 nan 0.000 0.575 532 D N 3.542 123.920 120.400 -0.036 0.000 2.827 532 D HA -0.147 4.493 4.640 -0.000 0.000 0.217 532 D C 0.103 176.413 176.300 0.017 0.000 1.233 532 D CA 1.470 55.460 54.000 -0.018 0.000 0.618 532 D CB -1.194 39.470 40.800 -0.226 0.000 0.984 532 D HN 0.878 nan 8.370 nan 0.000 0.399 533 D N -1.696 118.727 120.400 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 41.322 40.800 0.040 0.000 1.183 533 D HN 0.033 nan 8.370 nan 0.000 0.472 534 S N -0.155 115.575 115.700 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 0.938 59.168 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 2.389 125.234 122.820 0.042 0.000 1.832 535 A HA -0.019 4.301 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 2.247 54.298 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 -2.614 111.985 114.554 0.076 0.000 3.077 536 T HA -0.062 4.288 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 1.905 64.067 62.100 0.103 0.000 1.091 536 T CB -0.307 68.646 68.868 0.141 0.000 0.892 536 T HN 0.325 nan 8.240 nan 0.000 0.533 537 S N 0.034 115.836 115.700 0.170 0.000 2.421 537 S HA 0.360 4.830 4.470 -0.000 0.000 0.224 537 S C 2.444 177.067 174.600 0.039 0.000 1.035 537 S CA 0.625 58.968 58.200 0.239 0.000 0.953 537 S CB -0.693 62.681 63.200 0.289 0.000 0.810 537 S HN 0.722 nan 8.310 nan 0.000 0.497 538 A N 1.619 124.449 122.820 0.016 0.000 1.902 538 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 538 A C 2.000 179.544 177.584 -0.068 0.000 1.181 538 A CA 1.442 53.461 52.037 -0.029 0.000 0.623 538 A CB -0.740 18.241 19.000 -0.033 0.000 0.818 538 A HN 0.613 nan 8.150 nan 0.000 0.443 539 I N -0.794 119.736 120.570 -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 0.868 62.118 61.300 -0.084 0.000 1.385 539 I CB -0.363 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 1.210 120.989 119.914 -0.225 0.000 2.324 540 V HA -0.316 3.804 4.120 -0.000 0.000 0.250 540 V C 2.675 178.524 176.094 -0.409 0.000 1.060 540 V CA 2.442 64.474 62.300 -0.447 0.000 1.042 540 V CB -0.748 30.453 31.823 -1.036 0.000 0.650 540 V HN 0.636 nan 8.190 nan 0.000 0.450 541 S N -0.298 115.215 115.700 -0.312 0.000 2.423 541 S HA -0.166 4.304 4.470 -0.000 0.000 0.231 541 S C 2.031 176.548 174.600 -0.137 0.000 1.014 541 S CA 0.751 58.820 58.200 -0.218 0.000 0.965 541 S CB -0.324 62.793 63.200 -0.139 0.000 0.785 541 S HN 0.471 nan 8.310 nan 0.000 0.495 542 R N 1.378 121.810 120.500 -0.114 0.000 2.062 542 R HA 0.236 4.576 4.340 -0.000 0.000 0.229 542 R C 2.407 178.674 176.300 -0.054 0.000 1.128 542 R CA 0.992 57.051 56.100 -0.069 0.000 0.960 542 R CB -1.299 28.966 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 2.282 179.916 177.584 0.084 0.000 1.203 544 A CA 1.878 53.944 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 2.762 178.877 176.094 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 -0.185 4.155 4.340 -0.000 0.000 0.195 546 Q C 2.366 178.403 176.000 0.063 0.000 0.974 546 Q CA 1.659 57.485 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 0.507 119.574 119.070 -0.005 0.000 2.518 547 H HA -0.042 4.514 4.556 -0.000 0.000 0.289 547 H C 1.684 177.011 175.328 -0.001 0.000 1.051 547 H CA 1.157 57.202 56.048 -0.005 0.000 1.280 547 H CB 0.396 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 1.044 121.525 120.400 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 0.833 57.172 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 -0.406 120.805 121.223 -0.020 0.000 2.341 549 L HA 0.114 4.454 4.340 -0.000 0.000 0.214 549 L C 1.800 178.633 176.870 -0.060 0.000 1.115 549 L CA 1.659 56.481 54.840 -0.030 0.000 0.820 549 L CB -1.105 40.946 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 -0.119 4.351 4.470 -0.000 0.000 0.231 550 S C 1.932 176.443 174.600 -0.149 0.000 0.987 550 S CA 0.860 58.994 58.200 -0.110 0.000 0.936 550 S CB -0.385 62.744 63.200 -0.119 0.000 0.766 550 S HN 0.587 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 0.077 55.778 55.803 -0.170 0.000 0.911 551 Q CB -0.005 28.599 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 0.354 4.474 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 0.815 63.094 62.300 -0.036 0.000 1.138 552 V CB 0.319 32.128 31.823 -0.024 0.000 0.940 552 V HN 0.607 nan 8.190 nan 0.000 0.489 553 G N 4.281 113.067 108.800 -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 0.564 45.652 45.100 -0.020 0.000 0.797 553 G HN 1.507 nan 8.290 nan 0.000 0.503 554 Q N 0.107 119.895 119.800 -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 27.694 28.738 -0.024 0.000 0.635 554 Q HN 2.651 nan 8.270 nan 0.000 0.323 555 A N 2.473 125.284 122.820 -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 2.651 54.681 52.037 -0.013 0.000 0.688 555 A CB -1.310 17.684 19.000 -0.011 0.000 0.821 555 A HN 2.205 nan 8.150 nan 0.000 0.498 556 S N -2.697 112.990 115.700 -0.021 0.000 3.425 556 S HA -0.195 4.275 4.470 -0.000 0.000 0.377 556 S C -0.515 174.075 174.600 -0.015 0.000 0.989 556 S CA 0.828 59.013 58.200 -0.024 0.000 1.183 556 S CB -2.141 61.048 63.200 -0.017 0.000 0.908 556 S HN 0.741 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 0.885 63.980 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 3.330 117.882 114.554 -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 0.029 0.000 1.146 558 T CA -1.545 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 0.062 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 -1.273 61.816 63.100 -0.018 0.000 0.765 559 P CB -0.239 31.439 31.700 -0.036 0.000 0.835 560 P HA -0.131 nan 4.420 nan 0.000 0.267 560 P C 0.395 177.218 177.300 -0.796 0.000 1.175 560 P CA 0.486 63.338 63.100 -0.413 0.000 0.763 560 P CB 0.762 32.204 31.700 -0.430 0.000 0.795 561 D N 1.202 121.165 120.400 -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 -0.446 0.000 0.983 561 D CA 1.102 54.820 54.000 -0.470 0.000 0.889 561 D CB -0.055 40.599 40.800 -0.244 0.000 1.018 561 D HN 0.683 nan 8.370 nan 0.000 0.448 562 Y N -3.311 116.949 120.300 -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 0.211 0.000 1.306 562 Y CA 0.341 58.456 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 2.012 65.272 63.100 0.266 0.000 0.837 563 P CB -0.088 31.699 31.700 0.145 0.000 0.786 564 L N -1.681 119.614 121.223 0.119 0.000 2.179 564 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 564 L C 2.073 178.974 176.870 0.051 0.000 1.096 564 L CA 1.098 55.975 54.840 0.061 0.000 0.779 564 L CB -0.460 41.600 42.059 0.001 0.000 0.922 564 L HN -0.136 nan 8.230 nan 0.000 0.443 565 L N -1.613 119.635 121.223 0.042 0.000 2.095 565 L HA -0.153 4.187 4.340 -0.000 0.000 0.204 565 L C 2.325 179.178 176.870 -0.030 0.000 1.080 565 L CA 1.522 56.341 54.840 -0.034 0.000 0.759 565 L CB -0.909 41.104 42.059 -0.076 0.000 0.914 565 L HN 0.436 nan 8.230 nan 0.000 0.439 566 W N 0.695 122.025 121.300 0.049 0.000 2.335 566 W HA -0.205 4.455 4.660 -0.000 0.000 0.311 566 W C 2.925 179.456 176.519 0.020 0.000 1.213 566 W CA 1.267 58.628 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 0.895 121.550 120.500 0.258 0.000 2.115 567 R HA -0.140 4.200 4.340 -0.000 0.000 0.230 567 R C 2.312 178.672 176.300 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 0.073 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 1.333 57.459 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 0.638 123.478 122.820 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 1.067 53.117 52.037 0.022 0.000 0.683 569 A CB -0.166 18.809 19.000 -0.042 0.000 0.808 569 A HN 0.252 nan 8.150 nan 0.000 0.455 570 K N 0.947 121.411 120.400 0.106 0.000 2.057 570 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 570 K C 2.157 178.809 176.600 0.087 0.000 1.050 570 K CA 1.687 58.042 56.287 0.114 0.000 0.935 570 K CB -0.224 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 -0.457 120.088 120.500 0.075 0.000 2.193 571 R HA 0.141 4.481 4.340 -0.000 0.000 0.213 571 R C 1.987 178.330 176.300 0.073 0.000 1.055 571 R CA 0.999 57.139 56.100 0.067 0.000 0.995 571 R CB -0.303 30.030 30.300 0.055 0.000 0.893 571 R HN 0.124 nan 8.270 nan 0.000 0.459 572 A N 1.843 124.705 122.820 0.069 0.000 1.855 572 A HA 0.067 4.387 4.320 -0.000 0.000 0.215 572 A C 2.518 180.167 177.584 0.107 0.000 1.191 572 A CA 1.376 53.458 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 -0.917 121.958 122.820 0.091 0.000 1.969 573 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 573 A C 2.464 180.149 177.584 0.169 0.000 1.169 573 A CA 2.139 54.243 52.037 0.112 0.000 0.635 573 A CB -0.815 18.229 19.000 0.072 0.000 0.810 573 A HN 0.552 nan 8.150 nan 0.000 0.445 574 S N -0.958 114.816 115.700 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 1.557 59.820 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 -0.165 119.496 119.600 0.102 0.000 2.279 575 M HA -0.058 4.422 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 1.465 56.812 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 0.112 120.074 119.950 0.021 0.000 2.053 576 F HA -0.138 4.389 4.527 -0.000 0.000 0.292 576 F C 1.859 177.670 175.800 0.018 0.000 1.125 576 F CA 1.764 59.776 58.000 0.020 0.000 1.193 576 F CB -0.697 38.314 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 -0.371 3.749 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 2.074 64.373 62.300 -0.003 0.000 1.061 577 V CB -1.296 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 0.300 115.958 115.700 -0.070 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 62.874 63.200 -0.024 0.000 1.016 578 S HN 0.688 nan 8.310 nan 0.000 0.419 579 N N 0.735 119.352 118.700 -0.138 0.000 2.851 579 N HA 0.422 5.162 4.740 -0.000 0.000 0.248 579 N C -2.244 173.119 175.510 -0.246 0.000 1.221 579 N CA -2.095 50.869 53.050 -0.144 0.000 0.847 579 N CB 1.468 39.913 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 1.362 178.509 177.300 -0.255 0.000 1.155 580 P CA 1.104 63.818 63.100 -0.644 0.000 0.880 580 P CB 0.256 31.671 31.700 -0.476 0.000 0.790 581 S N -0.944 114.682 115.700 -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 1.573 59.757 58.200 -0.026 0.000 1.074 581 S CB -1.237 61.956 63.200 -0.013 0.000 0.962 581 S HN -0.000 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 2.578 179.492 176.870 0.074 0.000 1.101 582 L CA 1.704 56.565 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 -0.912 121.978 122.820 0.116 0.000 2.292 583 A HA -0.072 4.248 4.320 -0.000 0.000 0.209 583 A C 1.931 179.585 177.584 0.117 0.000 1.209 583 A CA 1.070 53.200 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 -2.005 119.274 121.223 0.093 0.000 2.642 584 L HA 0.102 4.442 4.340 -0.000 0.000 0.233 584 L C 0.483 177.398 176.870 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 1.470 121.309 119.800 0.065 0.000 2.288 585 Q HA 0.253 4.593 4.340 -0.000 0.000 0.258 585 Q C -0.409 175.620 176.000 0.049 0.000 0.957 585 Q CA -0.409 55.425 55.803 0.053 0.000 0.919 585 Q CB 2.101 30.866 28.738 0.044 0.000 1.185 585 Q HN -0.031 nan 8.270 nan 0.000 0.408 586 V N 2.406 122.346 119.914 0.043 0.000 2.493 586 V HA 0.257 4.377 4.120 -0.000 0.000 0.292 586 V C 1.210 177.322 176.094 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 31.976 31.823 0.030 0.000 0.947 586 V HN 1.107 nan 8.190 nan 0.000 0.479 587 G N 4.918 113.736 108.800 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 -0.415 174.503 174.900 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 2.169 122.761 120.570 0.037 0.000 2.355 588 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 588 I C -1.820 174.321 176.117 0.041 0.000 0.999 588 I CA -3.084 58.241 61.300 0.041 0.000 1.163 588 I CB 1.296 39.328 38.000 0.052 0.000 1.316 588 I HN -0.040 nan 8.210 nan 0.000 0.454 589 P HA 0.057 nan 4.420 nan 0.000 0.260 589 P C 0.854 178.176 177.300 0.036 0.000 1.172 589 P CA 0.491 63.611 63.100 0.033 0.000 0.760 589 P CB 1.154 32.873 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 1.936 64.250 62.300 0.024 0.000 3.223 590 V CB -2.244 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 2.977 57.853 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 -4.092 110.492 114.554 0.051 0.000 3.144 592 T HA 0.084 4.434 4.350 -0.000 0.000 0.249 592 T C 0.679 175.399 174.700 0.035 0.000 1.089 592 T CA -0.211 61.918 62.100 0.049 0.000 0.989 592 T CB 0.028 68.927 68.868 0.051 0.000 0.992 592 T HN 0.320 nan 8.240 nan 0.000 0.540 593 Q N 1.552 121.367 119.800 0.025 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 -0.103 55.711 55.803 0.017 0.000 0.887 593 Q CB 1.419 30.164 28.738 0.011 0.000 1.223 593 Q HN 0.490 nan 8.270 nan 0.000 0.439 594 S N 1.313 117.021 115.700 0.013 0.000 2.392 594 S HA -0.241 4.229 4.470 -0.000 0.000 0.232 594 S C 1.656 176.256 174.600 0.000 0.000 1.041 594 S CA 1.250 59.456 58.200 0.011 0.000 1.026 594 S CB -0.760 62.447 63.200 0.012 0.000 0.845 594 S HN 0.845 nan 8.310 nan 0.000 0.465 595 G N 2.793 111.590 108.800 -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 0.589 175.472 174.900 -0.030 0.000 1.265 595 G CA 1.077 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 -0.020 119.558 119.600 -0.036 0.000 2.185 596 M HA 0.138 4.618 4.480 -0.000 0.000 0.308 596 M C 1.349 177.602 176.300 -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 -1.144 119.993 121.223 -0.143 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 1.466 56.195 54.840 -0.185 0.000 0.777 597 L CB -1.909 40.077 42.059 -0.120 0.000 3.491 597 L HN 0.815 nan 8.230 nan 0.000 0.841 598 S N -0.722 114.940 115.700 -0.063 0.000 2.383 598 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 598 S C 1.641 176.209 174.600 -0.053 0.000 1.030 598 S CA 2.147 60.322 58.200 -0.042 0.000 1.002 598 S CB -0.105 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 1.525 124.307 122.820 -0.064 0.000 1.831 599 A HA 0.125 4.445 4.320 -0.000 0.000 0.213 599 A C 2.070 179.604 177.584 -0.083 0.000 1.223 599 A CA 1.369 53.368 52.037 -0.064 0.000 0.604 599 A CB -1.282 17.681 19.000 -0.062 0.000 0.878 599 A HN 0.560 nan 8.150 nan 0.000 0.450 600 L N 0.555 121.706 121.223 -0.120 0.000 1.980 600 L HA -0.310 4.030 4.340 -0.000 0.000 0.232 600 L C 2.680 179.473 176.870 -0.129 0.000 1.092 600 L CA 4.071 58.820 54.840 -0.152 0.000 0.808 600 L CB -1.491 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 -2.115 112.349 114.554 -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 2.837 64.875 62.100 -0.104 0.000 1.180 601 T CB -1.728 67.085 68.868 -0.092 0.000 0.864 601 T HN 0.729 nan 8.240 nan 0.000 0.419 602 S N 1.619 117.287 115.700 -0.054 0.000 2.462 602 S HA 0.025 4.495 4.470 -0.000 0.000 0.243 602 S C 2.116 176.697 174.600 -0.032 0.000 1.003 602 S CA 1.202 59.380 58.200 -0.037 0.000 0.970 602 S CB -1.376 61.805 63.200 -0.032 0.000 0.762 602 S HN 0.869 nan 8.310 nan 0.000 0.510 603 G N 1.340 110.118 108.800 -0.038 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 0.552 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 3.010 179.096 176.094 -0.014 0.000 1.088 604 V CA 2.137 64.427 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 0.361 109.148 108.800 -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 2.076 47.166 45.100 -0.017 0.000 0.811 605 G HN 0.579 nan 8.290 nan 0.000 0.594 606 T N -0.167 114.381 114.554 -0.011 0.000 2.822 606 T HA 0.037 4.387 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 2.126 64.222 62.100 -0.007 0.000 1.131 606 T CB -0.432 68.432 68.868 -0.006 0.000 0.858 606 T HN 0.508 nan 8.240 nan 0.000 0.483 607 A N 1.704 124.523 122.820 -0.002 0.000 1.908 607 A HA 0.128 4.448 4.320 -0.000 0.000 0.218 607 A C 2.514 180.100 177.584 0.003 0.000 1.181 607 A CA 1.575 53.614 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 -1.559 119.665 121.223 0.001 0.000 2.156 608 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 608 L C 1.835 178.705 176.870 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 0.337 120.836 120.500 -0.002 0.000 3.907 609 R HA 0.018 4.358 4.340 -0.000 0.000 0.241 609 R C 0.263 176.561 176.300 -0.003 0.000 1.784 609 R CA 0.668 56.766 56.100 -0.003 0.000 1.509 609 R CB -0.230 30.067 30.300 -0.005 0.000 1.275 609 R HN 0.413 nan 8.270 nan 0.000 0.642 610 T N -7.738 106.816 114.554 -0.001 0.000 3.669 610 T HA -0.015 4.335 4.350 -0.000 0.000 0.294 610 T C 1.673 176.374 174.700 0.001 0.000 0.884 610 T CA 0.045 62.145 62.100 -0.000 0.000 0.815 610 T CB -0.033 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 1.033 175.936 174.900 0.005 0.000 1.088 611 G CA 1.571 46.674 45.100 0.005 0.000 0.734 611 G HN 0.943 nan 8.290 nan 0.000 0.616 612 S N -2.704 112.999 115.700 0.004 0.000 4.158 612 S HA -0.226 4.244 4.470 -0.000 0.000 0.615 612 S C 0.896 175.500 174.600 0.007 0.000 1.866 612 S CA 1.399 59.602 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 -1.256 119.974 121.223 0.013 0.000 1.967 613 L HA 0.401 4.741 4.340 -0.000 0.000 0.222 613 L C 1.102 177.987 176.870 0.024 0.000 1.189 613 L CA 0.988 55.839 54.840 0.018 0.000 1.303 613 L CB -0.477 41.596 42.059 0.023 0.000 2.607 613 L HN 0.588 nan 8.230 nan 0.000 0.524 614 G N 0.465 109.279 108.800 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 0.930 175.840 174.900 0.016 0.000 1.314 614 G CA 0.169 45.282 45.100 0.023 0.000 1.441 614 G HN 0.182 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 2.243 178.850 176.600 0.012 0.000 1.048 615 K CA 0.959 57.253 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 0.266 nan 8.250 nan 0.000 0.458 616 G N 0.866 109.675 108.800 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 1.181 176.088 174.900 0.012 0.000 1.141 616 G CA 0.253 45.362 45.100 0.015 0.000 0.788 616 G HN 0.245 nan 8.290 nan 0.000 0.531 617 V N 1.103 121.022 119.914 0.010 0.000 2.913 617 V HA -0.013 4.107 4.120 -0.000 0.000 0.260 617 V C 1.369 177.465 176.094 0.004 0.000 1.098 617 V CA 1.270 63.573 62.300 0.006 0.000 1.121 617 V CB -0.631 31.194 31.823 0.004 0.000 0.714 617 V HN 0.270 nan 8.190 nan 0.000 0.487 618 T N 2.270 116.827 114.554 0.004 0.000 2.784 618 T HA 0.067 4.417 4.350 -0.000 0.000 0.291 618 T C 0.417 175.119 174.700 0.004 0.000 0.942 618 T CA 0.493 62.594 62.100 0.003 0.000 1.161 618 T CB 0.067 68.938 68.868 0.004 0.000 0.885 618 T HN 0.619 nan 8.240 nan 0.000 0.534 619 D N 1.445 121.846 120.400 0.001 0.000 2.811 619 D HA -0.220 4.420 4.640 -0.000 0.000 0.231 619 D C 0.958 177.260 176.300 0.004 0.000 1.157 619 D CA 0.837 54.839 54.000 0.002 0.000 0.716 619 D CB -0.993 39.809 40.800 0.004 0.000 1.077 619 D HN 0.756 nan 8.370 nan 0.000 0.428 620 A N -0.241 122.581 122.820 0.004 0.000 2.259 620 A HA 0.106 4.426 4.320 -0.000 0.000 0.208 620 A C 2.128 179.714 177.584 0.004 0.000 1.201 620 A CA 1.311 53.351 52.037 0.005 0.000 0.824 620 A CB 0.245 19.249 19.000 0.006 0.000 0.838 620 A HN 0.286 nan 8.150 nan 0.000 0.485 621 S N -0.116 115.586 115.700 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 0.926 121.128 120.200 0.002 0.000 2.150 622 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 622 E C 2.097 178.699 176.600 0.004 0.000 0.985 622 E CA 0.648 57.050 56.400 0.003 0.000 0.814 622 E CB -0.077 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 1.151 121.554 120.400 0.005 0.000 2.057 623 K HA -0.119 4.201 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 0.696 56.987 56.287 0.006 0.000 0.931 623 K CB -0.024 32.481 32.500 0.008 0.000 0.714 623 K HN 0.144 nan 8.250 nan 0.000 0.440 624 L N 0.901 122.127 121.223 0.006 0.000 2.005 624 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 624 L C 2.670 179.544 176.870 0.006 0.000 1.072 624 L CA 1.229 56.072 54.840 0.006 0.000 0.744 624 L CB -0.412 41.650 42.059 0.005 0.000 0.895 624 L HN 0.227 nan 8.230 nan 0.000 0.433 625 R N 0.456 120.959 120.500 0.005 0.000 2.159 625 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 625 R C 1.834 178.137 176.300 0.005 0.000 1.131 625 R CA 1.481 57.584 56.100 0.005 0.000 0.982 625 R CB -0.350 29.952 30.300 0.004 0.000 0.868 625 R HN 0.538 nan 8.270 nan 0.000 0.453 626 A N 0.492 123.315 122.820 0.005 0.000 1.970 626 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 626 A C 2.192 179.779 177.584 0.005 0.000 1.170 626 A CA 0.528 52.568 52.037 0.004 0.000 0.645 626 A CB -0.234 18.769 19.000 0.004 0.000 0.816 626 A HN 0.249 nan 8.150 nan 0.000 0.447 627 R N -0.586 119.918 120.500 0.007 0.000 2.092 627 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 627 R C 2.285 178.592 176.300 0.011 0.000 1.119 627 R CA 1.520 57.626 56.100 0.010 0.000 0.970 627 R CB -0.248 30.060 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 57.329 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 1.785 176.385 174.600 -0.001 0.000 1.027 629 S CA 0.867 59.068 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 0.369 121.591 121.223 -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 1.621 56.455 54.840 -0.009 0.000 0.752 630 L CB -1.010 41.044 42.059 -0.007 0.000 0.906 630 L HN 0.368 nan 8.230 nan 0.000 0.436 631 T N -0.877 113.680 114.554 0.005 0.000 2.881 631 T HA -0.118 4.232 4.350 -0.000 0.000 0.270 631 T C 1.801 176.510 174.700 0.015 0.000 1.068 631 T CA 0.938 63.048 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 1.096 121.017 119.914 0.011 0.000 2.453 632 V HA 0.050 4.170 4.120 -0.000 0.000 0.247 632 V C 2.858 178.955 176.094 0.004 0.000 1.048 632 V CA 1.596 63.904 62.300 0.014 0.000 1.049 632 V CB -0.868 30.962 31.823 0.012 0.000 0.672 632 V HN 0.603 nan 8.190 nan 0.000 0.457 633 A N -0.380 122.435 122.820 -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 -0.331 18.655 19.000 -0.024 0.000 0.816 633 A HN 0.503 nan 8.150 nan 0.000 0.447 634 K N -0.554 119.805 120.400 -0.069 0.000 2.217 634 K HA -0.171 4.149 4.320 -0.000 0.000 0.202 634 K C 2.117 178.567 176.600 -0.249 0.000 1.051 634 K CA 1.433 57.620 56.287 -0.166 0.000 0.952 634 K CB -0.063 32.323 32.500 -0.190 0.000 0.736 634 K HN 0.368 nan 8.250 nan 0.000 0.453 635 Q N 0.882 120.637 119.800 -0.074 0.000 2.119 635 Q HA -0.031 4.309 4.340 -0.000 0.000 0.201 635 Q C 1.683 177.703 176.000 0.034 0.000 0.972 635 Q CA 1.842 57.671 55.803 0.043 0.000 0.847 635 Q CB -0.361 28.431 28.738 0.089 0.000 0.903 635 Q HN 0.368 nan 8.270 nan 0.000 0.433 636 A N -0.122 122.708 122.820 0.017 0.000 1.933 636 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 636 A C 2.050 179.673 177.584 0.065 0.000 1.175 636 A CA 1.343 53.402 52.037 0.037 0.000 0.628 636 A CB -1.020 17.999 19.000 0.031 0.000 0.814 636 A HN 0.625 nan 8.150 nan 0.000 0.444 637 F N -0.447 119.417 119.950 -0.143 0.000 2.039 637 F HA -0.164 4.363 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 1.697 59.603 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 1.656 121.362 119.950 -0.407 0.000 2.184 638 F HA -0.263 4.264 4.527 -0.000 0.000 0.301 638 F C 2.307 177.920 175.800 -0.312 0.000 1.076 638 F CA 1.367 59.059 58.000 -0.513 0.000 1.295 638 F CB -1.356 37.508 39.000 -0.226 0.000 1.026 638 F HN 0.166 nan 8.300 nan 0.000 0.494 639 D N -0.368 120.043 120.400 0.019 0.000 2.178 639 D HA -0.150 4.490 4.640 -0.000 0.000 0.202 639 D C 2.132 178.420 176.300 -0.019 0.000 0.974 639 D CA 1.061 55.068 54.000 0.011 0.000 0.841 639 D CB -0.229 40.589 40.800 0.030 0.000 0.953 639 D HN 0.442 nan 8.370 nan 0.000 0.478 640 Q N -0.045 119.732 119.800 -0.039 0.000 2.123 640 Q HA 0.013 4.353 4.340 -0.000 0.000 0.196 640 Q C 2.351 178.345 176.000 -0.010 0.000 0.958 640 Q CA 0.284 56.086 55.803 -0.003 0.000 0.841 640 Q CB 0.327 29.102 28.738 0.062 0.000 0.915 640 Q HN 0.195 nan 8.270 nan 0.000 0.455 641 I N 0.965 121.425 120.570 -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 1.746 62.901 61.300 -0.242 0.000 1.392 641 I CB -1.242 36.337 38.000 -0.703 0.000 1.065 641 I HN 0.327 nan 8.210 nan 0.000 0.424 642 G N 0.049 108.807 108.800 -0.069 0.000 2.484 642 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 642 G HA3 -0.157 3.803 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 1.007 46.094 45.100 -0.021 0.000 0.784 642 G HN 0.550 nan 8.290 nan 0.000 0.543 643 S N 0.226 115.938 115.700 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 58.484 58.200 0.004 0.000 0.917 643 S CB -0.573 62.620 63.200 -0.012 0.000 0.859 643 S HN 0.152 nan 8.310 nan 0.000 0.584 644 L N -0.151 121.043 121.223 -0.049 0.000 1.991 644 L HA -0.111 4.229 4.340 -0.000 0.000 0.221 644 L C 1.064 177.771 176.870 -0.272 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 -1.971 174.540 176.519 -0.014 0.000 0.877 645 W CA -1.867 55.493 57.345 0.026 0.000 1.544 645 W CB -0.272 29.249 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