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 3k4c_1_C DATA FIRST_RESID 45 DATA SEQUENCE IKYDVVIVGS GPIGCTYARE LVGAGYKVAM FDIGEIDSGL KIGAHKKNTV DATA SEQUENCE EYQKNIDKFV NVIQGQLMSV SVPVNTLVVD TLSPTSWQAS TFFVRNGSNP DATA SEQUENCE EQDPLRNLSG QAVTRVVGGM STAWGCATPR FDREQRPLLV KDDADADDAE DATA SEQUENCE WDRLYTKAES YFQTGTDQFK ESIRHNLVLN KLTEEYKGQR DFQQIPLAAT DATA SEQUENCE RRSPTFVEWS SANTVFDLQN RPNTDAPEER FNLFPAVACE RVVRNALNSE DATA SEQUENCE IESLHIHDLI SGDRFEIKAD VYVLTAGAVH NTQLLVNSGF GQLGRPNPAN DATA SEQUENCE PPELLPSLGS YITEQSLVFC QTVMSTELID SVKSDMTIRG TPGELTYSVT DATA SEQUENCE YTPGASTNKH PDWWNEKVKN HMMQHQEDPL PIPFEDPEPQ VTTLFQPSHP DATA SEQUENCE WHTQIHRDAF SYGAVQQSID SRLIVDWRFF GRTEPKEENK LWFSDKITDA DATA SEQUENCE YNMPQPTFDF RFPAGRTSKE AEDMMTDMCV MSAKIGGFLP GSLPQFMEPG DATA SEQUENCE LVLHLGGTHR MGFDEKEDNC CVNTDSRVFG FKNLFLGGCG NIPTAYGANP DATA SEQUENCE TLTAMSLAIK SCEYIKQNFT PSPFT 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 45 I HA 0.000 nan 4.170 nan 0.000 0.288 45 I C 0.000 176.057 176.117 -0.100 0.000 1.063 45 I CA 0.000 61.240 61.300 -0.100 0.000 1.566 45 I CB 0.000 37.859 38.000 -0.234 0.000 1.214 46 K N 0.490 120.697 120.400 -0.322 0.000 2.376 46 K HA 0.694 5.014 4.320 -0.001 0.000 0.257 46 K C -2.135 174.151 176.600 -0.523 0.000 0.939 46 K CA -0.276 55.859 56.287 -0.253 0.000 0.809 46 K CB 1.227 33.634 32.500 -0.155 0.000 1.121 46 K HN 0.383 nan 8.250 nan 0.000 0.425 47 Y N 1.391 121.692 120.300 0.002 0.000 2.570 47 Y HA 0.240 4.790 4.550 -0.001 0.000 0.345 47 Y C 0.577 176.465 175.900 -0.021 0.000 1.014 47 Y CA -0.766 57.328 58.100 -0.009 0.000 1.063 47 Y CB 1.966 40.419 38.460 -0.011 0.000 1.272 47 Y HN 0.653 nan 8.280 nan 0.000 0.477 48 D N 0.242 120.744 120.400 0.169 0.000 2.103 48 D HA 0.010 4.649 4.640 -0.001 0.000 0.199 48 D C -0.292 176.021 176.300 0.021 0.000 0.978 48 D CA 1.503 55.584 54.000 0.135 0.000 0.829 48 D CB 0.249 41.207 40.800 0.265 0.000 0.981 48 D HN 0.116 nan 8.370 nan 0.000 0.464 49 V N 1.143 121.064 119.914 0.012 0.000 2.638 49 V HA 0.388 4.508 4.120 -0.001 0.000 0.306 49 V C -0.253 175.765 176.094 -0.128 0.000 1.052 49 V CA -1.028 61.192 62.300 -0.134 0.000 0.885 49 V CB 2.359 34.091 31.823 -0.152 0.000 0.999 49 V HN -0.014 nan 8.190 nan 0.000 0.424 50 V N 2.888 122.684 119.914 -0.197 0.000 2.555 50 V HA 0.750 4.870 4.120 -0.001 0.000 0.302 50 V C -0.638 175.410 176.094 -0.076 0.000 1.038 50 V CA -0.626 61.614 62.300 -0.101 0.000 0.887 50 V CB 1.728 33.581 31.823 0.051 0.000 0.991 50 V HN 0.691 nan 8.190 nan 0.000 0.434 51 I N 4.226 124.769 120.570 -0.044 0.000 2.436 51 I HA 0.463 4.633 4.170 -0.001 0.000 0.289 51 I C -0.532 175.616 176.117 0.052 0.000 1.010 51 I CA -0.934 60.331 61.300 -0.059 0.000 1.098 51 I CB 2.246 40.193 38.000 -0.088 0.000 1.266 51 I HN 0.459 nan 8.210 nan 0.000 0.434 52 V N 5.568 125.502 119.914 0.033 0.000 2.368 52 V HA 0.763 4.882 4.120 -0.001 0.000 0.266 52 V C 0.528 176.636 176.094 0.024 0.000 1.045 52 V CA -0.299 62.041 62.300 0.066 0.000 0.899 52 V CB 0.351 32.188 31.823 0.022 0.000 1.006 52 V HN 1.064 nan 8.190 nan 0.000 0.470 53 G N 3.894 112.723 108.800 0.048 0.000 3.069 53 G HA2 -0.006 3.954 3.960 -0.001 0.000 0.686 53 G HA3 -0.006 3.954 3.960 -0.001 0.000 0.686 53 G C -0.096 174.824 174.900 0.032 0.000 1.161 53 G CA -0.281 44.837 45.100 0.030 0.000 0.804 53 G HN 1.284 nan 8.290 nan 0.000 0.608 54 S N 1.109 116.832 115.700 0.037 0.000 2.562 54 S HA 0.611 5.080 4.470 -0.001 0.000 0.246 54 S C 1.250 175.866 174.600 0.027 0.000 1.056 54 S CA 0.636 58.863 58.200 0.046 0.000 1.042 54 S CB 0.646 63.885 63.200 0.065 0.000 0.822 54 S HN 1.919 nan 8.310 nan 0.000 0.465 55 G N 2.707 111.515 108.800 0.013 0.000 2.683 55 G HA2 0.390 4.350 3.960 -0.001 0.000 0.260 55 G HA3 0.390 4.350 3.960 -0.001 0.000 0.260 55 G C -1.071 173.817 174.900 -0.020 0.000 1.238 55 G CA -1.358 43.735 45.100 -0.011 0.000 0.934 55 G HN 0.247 nan 8.290 nan 0.000 0.534 56 P HA -0.095 nan 4.420 nan 0.000 0.219 56 P C 1.730 178.988 177.300 -0.071 0.000 1.146 56 P CA 0.809 63.869 63.100 -0.067 0.000 0.808 56 P CB 0.175 31.843 31.700 -0.052 0.000 0.779 57 I N -0.044 120.517 120.570 -0.015 0.000 2.353 57 I HA -0.041 4.128 4.170 -0.001 0.000 0.248 57 I C 2.676 178.860 176.117 0.110 0.000 1.119 57 I CA 1.536 62.858 61.300 0.038 0.000 1.417 57 I CB -2.232 35.815 38.000 0.079 0.000 1.078 57 I HN 0.005 nan 8.210 nan 0.000 0.421 58 G N 0.192 109.031 108.800 0.066 0.000 2.408 58 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.217 58 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.217 58 G C 1.758 176.666 174.900 0.013 0.000 1.150 58 G CA 0.853 45.985 45.100 0.053 0.000 0.776 58 G HN 0.401 nan 8.290 nan 0.000 0.542 59 C N 0.785 120.069 119.300 -0.027 0.000 2.419 59 C HA 0.012 4.471 4.460 -0.001 0.000 0.281 59 C C 3.171 178.048 174.990 -0.190 0.000 1.336 59 C CA 1.394 60.357 59.018 -0.093 0.000 1.770 59 C CB -0.998 26.733 27.740 -0.015 0.000 1.929 59 C HN 0.441 nan 8.230 nan 0.000 0.509 60 T N -0.078 114.389 114.554 -0.145 0.000 2.737 60 T HA -0.151 4.199 4.350 -0.001 0.000 0.265 60 T C 1.471 176.024 174.700 -0.245 0.000 1.038 60 T CA 1.574 63.556 62.100 -0.197 0.000 1.144 60 T CB -0.403 68.373 68.868 -0.154 0.000 0.866 60 T HN 0.558 nan 8.240 nan 0.000 0.434 61 Y N 1.475 121.647 120.300 -0.213 0.000 2.181 61 Y HA -0.051 4.498 4.550 -0.001 0.000 0.288 61 Y C 2.734 178.432 175.900 -0.336 0.000 1.146 61 Y CA 0.941 58.896 58.100 -0.241 0.000 1.164 61 Y CB -0.617 37.718 38.460 -0.208 0.000 0.982 61 Y HN 0.200 nan 8.280 nan 0.000 0.515 62 A N 0.093 122.732 122.820 -0.301 0.000 1.898 62 A HA -0.204 4.116 4.320 -0.001 0.000 0.216 62 A C 2.286 179.333 177.584 -0.895 0.000 1.181 62 A CA 1.654 53.293 52.037 -0.663 0.000 0.620 62 A CB -0.718 17.662 19.000 -1.033 0.000 0.819 62 A HN 0.422 nan 8.150 nan 0.000 0.442 63 R N -0.303 119.727 120.500 -0.782 0.000 2.080 63 R HA -0.178 4.162 4.340 -0.001 0.000 0.236 63 R C 2.012 178.115 176.300 -0.329 0.000 1.137 63 R CA 1.856 57.640 56.100 -0.527 0.000 0.943 63 R CB -0.283 29.716 30.300 -0.502 0.000 0.846 63 R HN 0.553 nan 8.270 nan 0.000 0.431 64 E N 0.364 120.400 120.200 -0.274 0.000 2.072 64 E HA -0.170 4.180 4.350 -0.001 0.000 0.191 64 E C 2.131 178.668 176.600 -0.106 0.000 0.985 64 E CA 1.279 57.589 56.400 -0.150 0.000 0.801 64 E CB -0.041 29.561 29.700 -0.164 0.000 0.750 64 E HN 0.437 nan 8.360 nan 0.000 0.452 65 L N 0.131 121.263 121.223 -0.152 0.000 2.202 65 L HA -0.045 4.295 4.340 -0.001 0.000 0.205 65 L C 2.526 179.454 176.870 0.097 0.000 1.083 65 L CA 0.252 55.057 54.840 -0.058 0.000 0.790 65 L CB -0.291 41.635 42.059 -0.223 0.000 0.942 65 L HN -0.068 nan 8.230 nan 0.000 0.452 66 V N 0.680 120.559 119.914 -0.058 0.000 2.407 66 V HA -0.197 3.922 4.120 -0.001 0.000 0.248 66 V C 2.551 178.681 176.094 0.061 0.000 1.055 66 V CA 2.052 64.363 62.300 0.018 0.000 1.049 66 V CB -1.181 30.577 31.823 -0.109 0.000 0.662 66 V HN 0.572 nan 8.190 nan 0.000 0.455 67 G N -0.813 107.992 108.800 0.008 0.000 2.509 67 G HA2 0.025 3.984 3.960 -0.001 0.000 0.218 67 G HA3 0.025 3.984 3.960 -0.001 0.000 0.218 67 G C 1.210 176.140 174.900 0.050 0.000 1.124 67 G CA 0.753 45.870 45.100 0.029 0.000 0.776 67 G HN 0.637 nan 8.290 nan 0.000 0.547 68 A N -0.708 122.173 122.820 0.102 0.000 2.465 68 A HA 0.553 4.872 4.320 -0.001 0.000 0.255 68 A C 1.648 179.249 177.584 0.029 0.000 1.274 68 A CA 0.935 53.036 52.037 0.107 0.000 0.920 68 A CB -0.165 18.958 19.000 0.204 0.000 1.033 68 A HN 1.405 nan 8.150 nan 0.000 0.516 69 G N -1.664 107.163 108.800 0.046 0.000 2.159 69 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.227 69 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.227 69 G C -0.089 174.770 174.900 -0.068 0.000 0.986 69 G CA 0.018 45.102 45.100 -0.027 0.000 0.651 69 G HN 0.389 nan 8.290 nan 0.000 0.523 70 Y N 0.647 120.980 120.300 0.054 0.000 2.346 70 Y HA 0.422 4.971 4.550 -0.001 0.000 0.330 70 Y C 1.103 177.054 175.900 0.085 0.000 1.178 70 Y CA 0.103 58.236 58.100 0.055 0.000 1.331 70 Y CB 0.791 39.262 38.460 0.019 0.000 1.253 70 Y HN 0.093 nan 8.280 nan 0.000 0.529 71 K N 3.214 123.749 120.400 0.225 0.000 2.292 71 K HA 0.399 4.719 4.320 -0.001 0.000 0.290 71 K C -1.505 175.243 176.600 0.247 0.000 1.083 71 K CA -0.138 56.273 56.287 0.207 0.000 0.918 71 K CB 0.025 32.606 32.500 0.136 0.000 1.089 71 K HN 0.498 nan 8.250 nan 0.000 0.473 72 V N 3.152 123.189 119.914 0.206 0.000 2.513 72 V HA 0.612 4.732 4.120 -0.001 0.000 0.299 72 V C -0.334 175.681 176.094 -0.132 0.000 1.035 72 V CA -0.918 61.441 62.300 0.098 0.000 0.889 72 V CB 1.509 33.429 31.823 0.163 0.000 0.988 72 V HN 0.885 nan 8.190 nan 0.000 0.440 73 A N 5.543 128.119 122.820 -0.407 0.000 2.350 73 A HA 0.928 5.248 4.320 -0.001 0.000 0.324 73 A C -0.698 176.504 177.584 -0.637 0.000 1.118 73 A CA -0.613 50.926 52.037 -0.829 0.000 0.783 73 A CB 1.587 19.686 19.000 -1.503 0.000 1.236 73 A HN 0.891 nan 8.150 nan 0.000 0.457 74 M N 2.331 121.490 119.600 -0.735 0.000 2.395 74 M HA 0.733 5.212 4.480 -0.001 0.000 0.307 74 M C -2.140 173.805 176.300 -0.591 0.000 1.091 74 M CA -0.451 54.599 55.300 -0.417 0.000 0.919 74 M CB 1.183 33.763 32.600 -0.035 0.000 1.662 74 M HN 0.604 nan 8.290 nan 0.000 0.440 75 F N 2.296 122.245 119.950 -0.002 0.000 2.495 75 F HA 0.555 5.082 4.527 -0.001 0.000 0.327 75 F C -0.114 175.687 175.800 0.002 0.000 1.103 75 F CA -0.580 57.435 58.000 0.025 0.000 0.949 75 F CB 1.419 40.413 39.000 -0.011 0.000 1.142 75 F HN 0.447 nan 8.300 nan 0.000 0.457 76 D N 2.722 123.225 120.400 0.171 0.000 2.738 76 D HA 0.249 4.888 4.640 -0.001 0.000 0.237 76 D C 0.520 176.846 176.300 0.043 0.000 1.123 76 D CA -0.353 53.694 54.000 0.078 0.000 0.856 76 D CB 2.572 43.400 40.800 0.046 0.000 1.552 76 D HN 0.655 nan 8.370 nan 0.000 0.480 77 I N 1.847 122.393 120.570 -0.039 0.000 2.546 77 I HA 0.039 4.209 4.170 -0.001 0.000 0.255 77 I C 1.165 177.234 176.117 -0.080 0.000 1.163 77 I CA 0.724 61.953 61.300 -0.119 0.000 1.457 77 I CB 0.135 37.952 38.000 -0.306 0.000 1.092 77 I HN 0.334 nan 8.210 nan 0.000 0.434 78 G N 0.086 108.859 108.800 -0.044 0.000 2.543 78 G HA2 0.341 4.301 3.960 -0.001 0.000 0.290 78 G HA3 0.341 4.301 3.960 -0.001 0.000 0.290 78 G C -0.749 174.165 174.900 0.024 0.000 1.310 78 G CA -0.408 44.691 45.100 -0.001 0.000 1.025 78 G HN 0.325 nan 8.290 nan 0.000 0.502 79 E N -1.501 118.718 120.200 0.032 0.000 2.299 79 E HA 0.383 4.732 4.350 -0.001 0.000 0.260 79 E C -0.580 176.040 176.600 0.033 0.000 0.944 79 E CA -0.778 55.643 56.400 0.035 0.000 0.815 79 E CB 2.439 32.163 29.700 0.039 0.000 1.252 79 E HN 0.263 nan 8.360 nan 0.000 0.418 80 I N 2.597 123.186 120.570 0.031 0.000 2.452 80 I HA 0.025 4.195 4.170 -0.001 0.000 0.287 80 I C -0.392 175.748 176.117 0.038 0.000 1.079 80 I CA 0.519 61.838 61.300 0.032 0.000 1.387 80 I CB 0.125 38.139 38.000 0.024 0.000 1.404 80 I HN 0.478 nan 8.210 nan 0.000 0.522 81 D N 2.921 123.349 120.400 0.045 0.000 3.407 81 D HA 0.062 4.701 4.640 -0.001 0.000 0.291 81 D C -0.263 176.081 176.300 0.073 0.000 1.309 81 D CA -0.384 53.650 54.000 0.056 0.000 0.747 81 D CB 0.083 40.915 40.800 0.053 0.000 1.343 81 D HN 0.225 nan 8.370 nan 0.000 0.631 82 S N -0.278 115.469 115.700 0.078 0.000 2.749 82 S HA 0.638 5.108 4.470 -0.001 0.000 0.246 82 S C 0.895 175.557 174.600 0.103 0.000 1.023 82 S CA 0.047 58.310 58.200 0.105 0.000 1.012 82 S CB 0.932 64.194 63.200 0.103 0.000 0.942 82 S HN 0.936 nan 8.310 nan 0.000 0.531 83 G N 1.485 110.334 108.800 0.081 0.000 2.587 83 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.212 83 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.212 83 G C 0.284 175.213 174.900 0.048 0.000 1.327 83 G CA -0.331 44.810 45.100 0.068 0.000 0.898 83 G HN 0.254 nan 8.290 nan 0.000 0.551 84 L N 0.358 121.604 121.223 0.038 0.000 2.201 84 L HA 0.076 4.415 4.340 -0.001 0.000 0.212 84 L C 1.598 178.478 176.870 0.016 0.000 1.105 84 L CA 1.158 56.010 54.840 0.021 0.000 0.775 84 L CB -0.323 41.744 42.059 0.013 0.000 0.913 84 L HN 0.334 nan 8.230 nan 0.000 0.440 85 K N 1.706 122.124 120.400 0.031 0.000 2.262 85 K HA 0.285 4.605 4.320 -0.001 0.000 0.288 85 K C -0.276 176.342 176.600 0.031 0.000 1.090 85 K CA -0.155 56.147 56.287 0.025 0.000 0.918 85 K CB 0.596 33.125 32.500 0.047 0.000 1.139 85 K HN 0.112 nan 8.250 nan 0.000 0.462 86 I N 1.980 122.553 120.570 0.004 0.000 2.598 86 I HA -0.062 4.108 4.170 -0.001 0.000 0.284 86 I C 1.368 177.499 176.117 0.023 0.000 1.140 86 I CA 0.688 61.995 61.300 0.011 0.000 1.420 86 I CB 0.454 38.450 38.000 -0.006 0.000 1.387 86 I HN 0.951 nan 8.210 nan 0.000 0.553 87 G N 4.388 113.213 108.800 0.042 0.000 2.153 87 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.252 87 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.252 87 G C 0.371 175.317 174.900 0.076 0.000 0.994 87 G CA 0.145 45.275 45.100 0.050 0.000 0.698 87 G HN 0.962 nan 8.290 nan 0.000 0.521 88 A N -0.427 122.453 122.820 0.100 0.000 2.296 88 A HA 0.596 4.916 4.320 -0.001 0.000 0.264 88 A C 0.593 178.295 177.584 0.197 0.000 1.097 88 A CA -0.243 51.889 52.037 0.158 0.000 0.811 88 A CB 0.264 19.355 19.000 0.153 0.000 1.072 88 A HN 0.629 nan 8.150 nan 0.000 0.495 89 H N 0.395 119.589 119.070 0.207 0.000 2.767 89 H HA 0.132 4.687 4.556 -0.001 0.000 0.316 89 H C 0.736 176.175 175.328 0.185 0.000 1.059 89 H CA 0.558 56.737 56.048 0.218 0.000 1.461 89 H CB 0.877 30.784 29.762 0.241 0.000 1.475 89 H HN 0.688 nan 8.280 nan 0.000 0.531 90 K N 3.304 123.905 120.400 0.334 0.000 2.362 90 K HA -0.122 4.197 4.320 -0.001 0.000 0.200 90 K C 1.688 178.521 176.600 0.388 0.000 1.046 90 K CA 0.879 57.406 56.287 0.400 0.000 0.952 90 K CB 0.314 33.056 32.500 0.404 0.000 0.753 90 K HN 0.456 nan 8.250 nan 0.000 0.466 91 K N 0.938 121.432 120.400 0.157 0.000 2.487 91 K HA 0.001 4.320 4.320 -0.001 0.000 0.192 91 K C 0.232 176.849 176.600 0.028 0.000 1.027 91 K CA 0.402 56.458 56.287 -0.385 0.000 1.054 91 K CB 0.239 31.954 32.500 -1.308 0.000 0.824 91 K HN -0.056 nan 8.250 nan 0.000 0.510 92 N N 2.240 121.064 118.700 0.206 0.000 2.623 92 N HA -0.011 4.728 4.740 -0.001 0.000 0.263 92 N C -0.788 175.003 175.510 0.468 0.000 1.218 92 N CA 0.321 53.550 53.050 0.297 0.000 0.949 92 N CB 0.745 39.427 38.487 0.325 0.000 1.270 92 N HN 0.342 nan 8.380 nan 0.000 0.507 93 T N -4.352 110.453 114.554 0.418 0.000 2.918 93 T HA 0.334 4.684 4.350 -0.001 0.000 0.286 93 T C 1.453 176.384 174.700 0.385 0.000 1.026 93 T CA -0.772 61.540 62.100 0.353 0.000 1.031 93 T CB 1.638 70.650 68.868 0.241 0.000 1.046 93 T HN -0.182 nan 8.240 nan 0.000 0.479 94 V N 1.434 121.500 119.914 0.252 0.000 2.392 94 V HA -0.107 4.012 4.120 -0.001 0.000 0.249 94 V C 2.768 178.938 176.094 0.128 0.000 1.059 94 V CA 2.333 64.758 62.300 0.209 0.000 1.051 94 V CB -0.980 30.875 31.823 0.053 0.000 0.658 94 V HN 1.032 nan 8.190 nan 0.000 0.455 95 E N -0.455 119.761 120.200 0.026 0.000 2.072 95 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 95 E C 1.997 178.535 176.600 -0.103 0.000 0.985 95 E CA 1.472 57.817 56.400 -0.092 0.000 0.801 95 E CB -0.284 29.278 29.700 -0.230 0.000 0.750 95 E HN 0.676 nan 8.360 nan 0.000 0.452 96 Y N 0.721 121.094 120.300 0.122 0.000 2.314 96 Y HA -0.011 4.538 4.550 -0.001 0.000 0.293 96 Y C 2.058 177.989 175.900 0.051 0.000 1.129 96 Y CA 1.180 59.342 58.100 0.103 0.000 1.201 96 Y CB -0.132 38.404 38.460 0.127 0.000 0.999 96 Y HN 0.154 nan 8.280 nan 0.000 0.541 97 Q N -0.209 119.703 119.800 0.187 0.000 2.435 97 Q HA -0.080 4.260 4.340 -0.001 0.000 0.207 97 Q C 1.608 177.668 176.000 0.101 0.000 0.956 97 Q CA 0.665 56.531 55.803 0.106 0.000 0.917 97 Q CB 0.002 28.758 28.738 0.030 0.000 0.997 97 Q HN 0.468 nan 8.270 nan 0.000 0.497 98 K N 0.473 120.933 120.400 0.101 0.000 2.305 98 K HA 0.056 4.376 4.320 -0.001 0.000 0.199 98 K C 0.470 177.107 176.600 0.062 0.000 1.047 98 K CA 0.499 56.827 56.287 0.067 0.000 0.976 98 K CB 0.408 32.936 32.500 0.046 0.000 0.765 98 K HN 0.136 nan 8.250 nan 0.000 0.474 99 N N 1.114 119.869 118.700 0.091 0.000 2.723 99 N HA 0.054 4.793 4.740 -0.001 0.000 0.290 99 N C 0.159 175.773 175.510 0.174 0.000 1.882 99 N CA 0.032 53.146 53.050 0.107 0.000 0.851 99 N CB 1.022 39.563 38.487 0.091 0.000 1.234 99 N HN -0.016 nan 8.380 nan 0.000 0.491 100 I N 1.293 121.939 120.570 0.127 0.000 2.335 100 I HA -0.224 3.946 4.170 -0.001 0.000 0.251 100 I C 1.460 177.642 176.117 0.109 0.000 1.129 100 I CA 1.629 62.996 61.300 0.111 0.000 1.402 100 I CB 0.032 38.047 38.000 0.025 0.000 1.069 100 I HN 0.150 nan 8.210 nan 0.000 0.424 101 D N 0.637 121.088 120.400 0.085 0.000 2.221 101 D HA -0.173 4.466 4.640 -0.001 0.000 0.204 101 D C 1.953 178.304 176.300 0.086 0.000 0.982 101 D CA 0.842 54.880 54.000 0.063 0.000 0.857 101 D CB -0.146 40.685 40.800 0.052 0.000 0.934 101 D HN 0.337 nan 8.370 nan 0.000 0.475 102 K N -0.119 120.374 120.400 0.156 0.000 2.365 102 K HA -0.053 4.267 4.320 -0.001 0.000 0.199 102 K C 1.755 178.434 176.600 0.132 0.000 1.045 102 K CA -0.048 56.349 56.287 0.184 0.000 0.962 102 K CB -0.372 32.297 32.500 0.282 0.000 0.759 102 K HN 0.219 nan 8.250 nan 0.000 0.469 103 F N 1.337 121.241 119.950 -0.077 0.000 2.365 103 F HA -0.146 4.380 4.527 -0.001 0.000 0.300 103 F C 2.080 177.746 175.800 -0.223 0.000 1.090 103 F CA 0.369 58.172 58.000 -0.328 0.000 1.408 103 F CB -0.175 38.597 39.000 -0.381 0.000 1.060 103 F HN -0.212 nan 8.300 nan 0.000 0.534 104 V N 0.900 120.733 119.914 -0.135 0.000 2.278 104 V HA -0.407 3.713 4.120 -0.001 0.000 0.251 104 V C 1.811 177.776 176.094 -0.214 0.000 1.062 104 V CA 2.954 65.155 62.300 -0.165 0.000 1.038 104 V CB -0.661 31.113 31.823 -0.082 0.000 0.646 104 V HN 0.510 nan 8.190 nan 0.000 0.447 105 N N -0.502 118.096 118.700 -0.171 0.000 2.188 105 N HA -0.126 4.613 4.740 -0.001 0.000 0.184 105 N C 1.706 177.082 175.510 -0.223 0.000 1.018 105 N CA 1.510 54.477 53.050 -0.138 0.000 0.858 105 N CB -0.296 38.158 38.487 -0.055 0.000 0.989 105 N HN 0.439 nan 8.380 nan 0.000 0.426 106 V N 1.555 121.225 119.914 -0.406 0.000 2.255 106 V HA -0.246 3.873 4.120 -0.001 0.000 0.247 106 V C 2.074 177.875 176.094 -0.488 0.000 1.051 106 V CA 1.561 63.547 62.300 -0.525 0.000 1.018 106 V CB -0.552 30.705 31.823 -0.943 0.000 0.641 106 V HN 0.304 nan 8.190 nan 0.000 0.445 107 I N -0.438 119.774 120.570 -0.597 0.000 2.127 107 I HA -0.347 3.823 4.170 -0.001 0.000 0.241 107 I C 2.711 178.729 176.117 -0.165 0.000 1.075 107 I CA 1.795 62.896 61.300 -0.332 0.000 1.334 107 I CB -0.568 37.273 38.000 -0.265 0.000 1.040 107 I HN 0.352 nan 8.210 nan 0.000 0.405 108 Q N 0.553 120.268 119.800 -0.142 0.000 2.112 108 Q HA -0.210 4.130 4.340 -0.001 0.000 0.206 108 Q C 2.315 178.282 176.000 -0.054 0.000 0.987 108 Q CA 1.781 57.543 55.803 -0.068 0.000 0.858 108 Q CB -0.527 28.177 28.738 -0.056 0.000 0.905 108 Q HN 0.689 nan 8.270 nan 0.000 0.420 109 G N 0.848 109.598 108.800 -0.083 0.000 2.471 109 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.219 109 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.219 109 G C 1.098 175.976 174.900 -0.037 0.000 1.125 109 G CA 0.825 45.892 45.100 -0.055 0.000 0.775 109 G HN 0.501 nan 8.290 nan 0.000 0.548 110 Q N -0.695 119.076 119.800 -0.048 0.000 2.189 110 Q HA 0.364 4.704 4.340 -0.001 0.000 0.223 110 Q C 0.190 176.197 176.000 0.012 0.000 0.828 110 Q CA -0.275 55.519 55.803 -0.015 0.000 0.967 110 Q CB 0.172 28.895 28.738 -0.025 0.000 1.139 110 Q HN 0.270 nan 8.270 nan 0.000 0.497 111 L N 2.105 123.335 121.223 0.011 0.000 2.260 111 L HA 0.438 4.778 4.340 -0.001 0.000 0.289 111 L C -0.701 176.201 176.870 0.052 0.000 1.057 111 L CA -0.622 54.243 54.840 0.041 0.000 0.811 111 L CB 0.972 43.057 42.059 0.043 0.000 1.184 111 L HN 0.132 nan 8.230 nan 0.000 0.429 112 M N 2.346 121.991 119.600 0.075 0.000 2.205 112 M HA 0.289 4.769 4.480 -0.001 0.000 0.344 112 M C 0.124 176.477 176.300 0.089 0.000 1.085 112 M CA -0.056 55.293 55.300 0.082 0.000 1.001 112 M CB 1.755 34.419 32.600 0.106 0.000 1.626 112 M HN 0.347 nan 8.290 nan 0.000 0.442 113 S N 1.578 117.320 115.700 0.070 0.000 2.558 113 S HA 0.134 4.604 4.470 -0.001 0.000 0.288 113 S C 1.389 176.040 174.600 0.085 0.000 1.318 113 S CA -0.599 57.642 58.200 0.068 0.000 1.056 113 S CB 0.646 63.874 63.200 0.046 0.000 0.853 113 S HN 0.583 nan 8.310 nan 0.000 0.505 114 V N 2.042 122.018 119.914 0.103 0.000 2.379 114 V HA 0.057 4.177 4.120 -0.001 0.000 0.243 114 V C 1.109 177.223 176.094 0.034 0.000 1.035 114 V CA 1.234 63.589 62.300 0.092 0.000 1.035 114 V CB 0.189 32.111 31.823 0.166 0.000 0.673 114 V HN 0.772 nan 8.190 nan 0.000 0.457 115 S N -0.385 115.356 115.700 0.069 0.000 2.736 115 S HA 0.561 5.030 4.470 -0.001 0.000 0.285 115 S C -1.144 173.469 174.600 0.022 0.000 1.163 115 S CA -0.445 57.755 58.200 0.001 0.000 1.025 115 S CB 1.521 64.689 63.200 -0.055 0.000 1.030 115 S HN 0.007 nan 8.310 nan 0.000 0.486 116 V N 7.714 127.627 119.914 -0.002 0.000 2.384 116 V HA 0.548 4.668 4.120 -0.001 0.000 0.287 116 V C -2.024 174.059 176.094 -0.019 0.000 1.020 116 V CA -1.865 60.432 62.300 -0.005 0.000 0.850 116 V CB 1.477 33.297 31.823 -0.005 0.000 0.987 116 V HN 0.710 nan 8.190 nan 0.000 0.436 117 P HA 0.137 nan 4.420 nan 0.000 0.272 117 P C -0.108 177.170 177.300 -0.036 0.000 1.240 117 P CA -0.111 62.973 63.100 -0.027 0.000 0.791 117 P CB 0.741 32.424 31.700 -0.028 0.000 0.978 118 V N 2.348 122.244 119.914 -0.030 0.000 2.617 118 V HA -0.078 4.041 4.120 -0.001 0.000 0.304 118 V C 1.338 177.381 176.094 -0.084 0.000 1.040 118 V CA 0.324 62.602 62.300 -0.038 0.000 1.149 118 V CB -0.880 30.943 31.823 -0.000 0.000 0.914 118 V HN 0.611 nan 8.190 nan 0.000 0.487 119 N N 3.801 122.441 118.700 -0.100 0.000 2.470 119 N HA 0.063 4.803 4.740 -0.001 0.000 0.268 119 N C 0.688 176.016 175.510 -0.303 0.000 1.136 119 N CA 0.520 53.481 53.050 -0.148 0.000 0.961 119 N CB 1.415 39.844 38.487 -0.096 0.000 1.067 119 N HN 0.897 nan 8.380 nan 0.000 0.468 120 T N 0.911 115.166 114.554 -0.498 0.000 3.200 120 T HA 0.252 4.602 4.350 -0.001 0.000 0.284 120 T C 0.812 175.061 174.700 -0.753 0.000 1.009 120 T CA -0.431 60.965 62.100 -1.175 0.000 0.907 120 T CB -0.393 67.927 68.868 -0.914 0.000 1.120 120 T HN 0.279 nan 8.240 nan 0.000 0.534 121 L N 2.151 123.184 121.223 -0.318 0.000 2.499 121 L HA 0.312 4.652 4.340 -0.001 0.000 0.273 121 L C 0.085 176.985 176.870 0.049 0.000 1.195 121 L CA -0.627 54.150 54.840 -0.105 0.000 0.882 121 L CB 0.633 42.663 42.059 -0.047 0.000 1.133 121 L HN 0.065 nan 8.230 nan 0.000 0.483 122 V N 4.996 124.963 119.914 0.088 0.000 2.385 122 V HA 0.157 4.277 4.120 -0.001 0.000 0.269 122 V C 0.237 176.396 176.094 0.108 0.000 1.043 122 V CA -0.420 61.984 62.300 0.173 0.000 0.906 122 V CB 1.418 33.327 31.823 0.144 0.000 0.995 122 V HN 0.429 nan 8.190 nan 0.000 0.467 123 V N 5.468 125.451 119.914 0.115 0.000 2.313 123 V HA 0.339 4.459 4.120 -0.001 0.000 0.278 123 V C 0.241 176.369 176.094 0.056 0.000 1.017 123 V CA -0.437 61.907 62.300 0.073 0.000 0.823 123 V CB 1.361 33.228 31.823 0.073 0.000 1.010 123 V HN 1.058 nan 8.190 nan 0.000 0.443 124 D N 1.952 122.377 120.400 0.041 0.000 2.501 124 D HA -0.000 4.639 4.640 -0.001 0.000 0.224 124 D C 1.161 177.472 176.300 0.018 0.000 1.202 124 D CA 0.252 54.267 54.000 0.025 0.000 0.829 124 D CB 0.386 41.200 40.800 0.023 0.000 1.023 124 D HN 0.543 nan 8.370 nan 0.000 0.499 125 T N -1.579 112.988 114.554 0.023 0.000 3.248 125 T HA 0.345 4.695 4.350 -0.001 0.000 0.271 125 T C 0.666 175.380 174.700 0.022 0.000 1.005 125 T CA -0.577 61.535 62.100 0.020 0.000 0.902 125 T CB -0.370 68.510 68.868 0.020 0.000 1.102 125 T HN 0.017 nan 8.240 nan 0.000 0.548 126 L N 1.698 122.936 121.223 0.025 0.000 2.464 126 L HA 0.351 4.691 4.340 -0.001 0.000 0.264 126 L C 1.122 178.004 176.870 0.021 0.000 1.199 126 L CA -0.653 54.205 54.840 0.030 0.000 0.818 126 L CB 0.429 42.510 42.059 0.036 0.000 1.102 126 L HN 0.225 nan 8.230 nan 0.000 0.473 127 S N 1.380 117.095 115.700 0.026 0.000 2.560 127 S HA 0.116 4.586 4.470 -0.001 0.000 0.284 127 S C -1.449 173.159 174.600 0.014 0.000 1.327 127 S CA -1.072 57.140 58.200 0.020 0.000 1.055 127 S CB 0.769 63.985 63.200 0.026 0.000 0.868 127 S HN 0.399 nan 8.310 nan 0.000 0.506 128 P HA -0.072 nan 4.420 nan 0.000 0.223 128 P C 1.312 178.613 177.300 0.001 0.000 1.144 128 P CA 1.228 64.325 63.100 -0.005 0.000 0.783 128 P CB -0.247 31.448 31.700 -0.007 0.000 0.771 129 T N -5.587 108.977 114.554 0.016 0.000 3.067 129 T HA 0.089 4.439 4.350 -0.001 0.000 0.261 129 T C 1.040 175.772 174.700 0.053 0.000 1.110 129 T CA 0.076 62.193 62.100 0.029 0.000 1.113 129 T CB -0.610 68.277 68.868 0.031 0.000 0.917 129 T HN -0.095 nan 8.240 nan 0.000 0.499 130 S N 1.339 117.075 115.700 0.060 0.000 2.576 130 S HA 0.274 4.744 4.470 -0.001 0.000 0.276 130 S C -0.573 174.108 174.600 0.135 0.000 1.339 130 S CA -0.976 57.288 58.200 0.106 0.000 1.039 130 S CB 0.138 63.396 63.200 0.096 0.000 0.902 130 S HN 0.606 nan 8.310 nan 0.000 0.516 131 W N 3.282 124.593 121.300 0.018 0.000 2.308 131 W HA 0.185 4.845 4.660 -0.001 0.000 0.324 131 W C 0.178 176.715 176.519 0.029 0.000 1.387 131 W CA 0.363 57.719 57.345 0.018 0.000 1.250 131 W CB 0.322 29.792 29.460 0.018 0.000 1.257 131 W HN 0.426 nan 8.180 nan 0.000 0.554 132 Q N 3.609 123.062 119.800 -0.578 0.000 2.501 132 Q HA 0.564 4.904 4.340 -0.001 0.000 0.288 132 Q C -0.918 174.587 176.000 -0.826 0.000 1.051 132 Q CA -0.879 54.633 55.803 -0.485 0.000 0.788 132 Q CB 2.021 30.643 28.738 -0.194 0.000 1.469 132 Q HN 0.567 nan 8.270 nan 0.000 0.416 133 A N 0.595 123.188 122.820 -0.377 0.000 2.363 133 A HA 0.406 4.725 4.320 -0.001 0.000 0.270 133 A C 0.569 177.992 177.584 -0.268 0.000 1.121 133 A CA -0.037 51.861 52.037 -0.232 0.000 0.800 133 A CB 0.394 19.470 19.000 0.126 0.000 1.052 133 A HN 0.668 nan 8.150 nan 0.000 0.493 134 S N 0.070 115.629 115.700 -0.234 0.000 2.548 134 S HA 0.109 4.578 4.470 -0.001 0.000 0.215 134 S C 0.817 175.303 174.600 -0.190 0.000 0.976 134 S CA 0.857 58.937 58.200 -0.200 0.000 0.908 134 S CB -0.154 62.949 63.200 -0.160 0.000 0.781 134 S HN 1.090 nan 8.310 nan 0.000 0.519 135 T N -1.466 113.010 114.554 -0.129 0.000 2.864 135 T HA 0.618 4.967 4.350 -0.001 0.000 0.299 135 T C -0.899 173.742 174.700 -0.099 0.000 1.166 135 T CA -0.751 61.267 62.100 -0.138 0.000 1.007 135 T CB 0.682 69.578 68.868 0.046 0.000 1.219 135 T HN -0.105 nan 8.240 nan 0.000 0.506 136 F N 3.197 123.221 119.950 0.123 0.000 2.652 136 F HA 0.370 4.897 4.527 -0.001 0.000 0.352 136 F C 0.467 176.321 175.800 0.090 0.000 1.259 136 F CA -1.953 56.085 58.000 0.064 0.000 1.249 136 F CB -1.161 37.851 39.000 0.021 0.000 1.628 136 F HN 0.563 nan 8.300 nan 0.000 0.654 137 F N -0.721 119.338 119.950 0.181 0.000 2.375 137 F HA 0.604 5.131 4.527 -0.001 0.000 0.313 137 F C -0.068 175.809 175.800 0.127 0.000 1.176 137 F CA -1.596 56.486 58.000 0.137 0.000 1.142 137 F CB -0.112 38.959 39.000 0.118 0.000 1.275 137 F HN -0.182 nan 8.300 nan 0.000 0.544 138 V N 2.672 122.738 119.914 0.253 0.000 2.446 138 V HA 0.261 4.380 4.120 -0.001 0.000 0.276 138 V C 0.144 176.266 176.094 0.046 0.000 1.030 138 V CA 0.020 62.381 62.300 0.102 0.000 1.033 138 V CB -0.347 31.561 31.823 0.141 0.000 0.993 138 V HN 0.730 nan 8.190 nan 0.000 0.477 139 R N 3.926 124.353 120.500 -0.122 0.000 2.673 139 R HA 0.430 4.769 4.340 -0.001 0.000 0.281 139 R C -0.018 176.241 176.300 -0.068 0.000 0.991 139 R CA -0.824 55.160 56.100 -0.193 0.000 0.896 139 R CB 1.339 31.391 30.300 -0.413 0.000 1.201 139 R HN 0.733 nan 8.270 nan 0.000 0.457 140 N N 1.102 119.788 118.700 -0.024 0.000 2.754 140 N HA -0.188 4.552 4.740 -0.001 0.000 0.248 140 N C 0.473 175.978 175.510 -0.008 0.000 1.093 140 N CA 1.576 54.616 53.050 -0.016 0.000 0.699 140 N CB -1.134 37.335 38.487 -0.029 0.000 1.016 140 N HN 1.078 nan 8.380 nan 0.000 0.552 141 G N -2.125 106.676 108.800 0.002 0.000 2.176 141 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.253 141 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.253 141 G C 0.298 175.200 174.900 0.003 0.000 0.979 141 G CA 0.958 46.062 45.100 0.007 0.000 0.641 141 G HN 1.342 nan 8.290 nan 0.000 0.530 142 S N -0.410 115.286 115.700 -0.006 0.000 2.589 142 S HA 0.480 4.950 4.470 -0.001 0.000 0.265 142 S C 0.097 174.695 174.600 -0.004 0.000 1.342 142 S CA 0.232 58.425 58.200 -0.011 0.000 1.005 142 S CB 1.664 64.849 63.200 -0.025 0.000 0.909 142 S HN 0.695 nan 8.310 nan 0.000 0.555 143 N N 1.632 120.323 118.700 -0.016 0.000 2.558 143 N HA 0.374 5.114 4.740 -0.001 0.000 0.242 143 N C -1.772 173.729 175.510 -0.015 0.000 0.979 143 N CA -2.515 50.519 53.050 -0.027 0.000 0.931 143 N CB 1.371 39.815 38.487 -0.071 0.000 1.122 143 N HN 0.354 nan 8.380 nan 0.000 0.508 144 P HA -0.062 nan 4.420 nan 0.000 0.230 144 P C 0.292 177.618 177.300 0.044 0.000 1.158 144 P CA 0.904 64.026 63.100 0.037 0.000 0.769 144 P CB 0.606 32.342 31.700 0.061 0.000 0.807 145 E N -0.234 119.980 120.200 0.024 0.000 2.358 145 E HA -0.076 4.274 4.350 -0.001 0.000 0.195 145 E C 0.900 177.515 176.600 0.025 0.000 1.010 145 E CA 0.494 56.931 56.400 0.061 0.000 0.856 145 E CB -0.072 29.630 29.700 0.002 0.000 0.795 145 E HN 0.297 nan 8.360 nan 0.000 0.504 146 Q N 2.276 122.054 119.800 -0.036 0.000 2.314 146 Q HA 0.033 4.373 4.340 -0.001 0.000 0.257 146 Q C -0.860 175.147 176.000 0.013 0.000 0.975 146 Q CA -0.236 55.542 55.803 -0.042 0.000 0.933 146 Q CB 0.782 29.481 28.738 -0.065 0.000 1.195 146 Q HN -0.196 nan 8.270 nan 0.000 0.426 147 D N 6.060 126.486 120.400 0.043 0.000 2.358 147 D HA 0.048 4.688 4.640 -0.001 0.000 0.258 147 D C -1.682 174.633 176.300 0.025 0.000 1.223 147 D CA -1.854 52.171 54.000 0.042 0.000 0.886 147 D CB 1.259 42.096 40.800 0.062 0.000 1.120 147 D HN 0.433 nan 8.370 nan 0.000 0.482 148 P HA -0.083 nan 4.420 nan 0.000 0.223 148 P C 1.288 178.589 177.300 0.001 0.000 1.151 148 P CA 0.675 63.773 63.100 -0.004 0.000 0.787 148 P CB 0.361 32.048 31.700 -0.022 0.000 0.788 149 L N -1.166 120.061 121.223 0.008 0.000 2.592 149 L HA 0.160 4.500 4.340 -0.001 0.000 0.227 149 L C 1.539 178.421 176.870 0.020 0.000 1.127 149 L CA 0.296 55.141 54.840 0.008 0.000 0.884 149 L CB -0.198 41.862 42.059 0.003 0.000 1.065 149 L HN -0.154 nan 8.230 nan 0.000 0.457 150 R N -0.221 120.300 120.500 0.035 0.000 2.734 150 R HA 0.210 4.550 4.340 -0.001 0.000 0.395 150 R C -0.393 175.961 176.300 0.090 0.000 1.096 150 R CA -0.265 55.869 56.100 0.056 0.000 1.071 150 R CB 0.291 30.626 30.300 0.058 0.000 1.348 150 R HN 0.049 nan 8.270 nan 0.000 0.600 151 N N 0.556 119.285 118.700 0.048 0.000 2.459 151 N HA 0.370 5.110 4.740 -0.001 0.000 0.288 151 N C -0.772 174.648 175.510 -0.151 0.000 1.186 151 N CA -0.642 52.418 53.050 0.016 0.000 0.917 151 N CB 1.239 39.733 38.487 0.012 0.000 1.219 151 N HN 0.074 nan 8.380 nan 0.000 0.525 152 L N 2.098 123.069 121.223 -0.419 0.000 2.494 152 L HA 0.213 4.553 4.340 -0.001 0.000 0.251 152 L C 1.385 178.047 176.870 -0.346 0.000 1.119 152 L CA -0.279 54.184 54.840 -0.628 0.000 1.026 152 L CB 0.470 41.748 42.059 -1.302 0.000 1.370 152 L HN 0.661 nan 8.230 nan 0.000 0.426 153 S N -0.231 115.366 115.700 -0.170 0.000 2.419 153 S HA -0.115 4.355 4.470 -0.001 0.000 0.233 153 S C 1.748 176.304 174.600 -0.073 0.000 1.016 153 S CA 0.992 59.144 58.200 -0.080 0.000 0.974 153 S CB -0.165 63.005 63.200 -0.050 0.000 0.786 153 S HN 0.635 nan 8.310 nan 0.000 0.492 154 G N 0.431 109.166 108.800 -0.108 0.000 2.813 154 G HA2 0.101 4.061 3.960 -0.001 0.000 0.209 154 G HA3 0.101 4.061 3.960 -0.001 0.000 0.209 154 G C 0.523 175.390 174.900 -0.055 0.000 1.150 154 G CA -0.323 44.735 45.100 -0.070 0.000 0.785 154 G HN 0.363 nan 8.290 nan 0.000 0.535 155 Q N 0.597 120.334 119.800 -0.104 0.000 2.330 155 Q HA 0.500 4.839 4.340 -0.001 0.000 0.279 155 Q C -0.115 175.917 176.000 0.054 0.000 1.024 155 Q CA 0.294 56.069 55.803 -0.046 0.000 0.900 155 Q CB 1.396 30.062 28.738 -0.120 0.000 1.221 155 Q HN 0.289 nan 8.270 nan 0.000 0.396 156 A N 2.029 124.893 122.820 0.074 0.000 2.609 156 A HA 0.719 5.039 4.320 -0.001 0.000 0.291 156 A C -0.994 176.655 177.584 0.107 0.000 1.096 156 A CA -0.561 51.531 52.037 0.091 0.000 0.684 156 A CB 1.338 20.384 19.000 0.076 0.000 1.282 156 A HN 0.482 nan 8.150 nan 0.000 0.412 157 V N -1.828 118.161 119.914 0.125 0.000 2.960 157 V HA 0.947 5.066 4.120 -0.001 0.000 0.315 157 V C -0.420 175.750 176.094 0.127 0.000 1.087 157 V CA -0.461 61.928 62.300 0.150 0.000 0.982 157 V CB 1.645 33.614 31.823 0.243 0.000 1.039 157 V HN 0.882 nan 8.190 nan 0.000 0.437 158 T N 3.066 117.687 114.554 0.111 0.000 2.792 158 T HA 0.572 4.921 4.350 -0.001 0.000 0.280 158 T C -0.299 174.436 174.700 0.058 0.000 0.990 158 T CA -0.478 61.666 62.100 0.074 0.000 0.960 158 T CB 1.095 69.996 68.868 0.054 0.000 0.939 158 T HN 0.779 nan 8.240 nan 0.000 0.439 159 R N 2.572 123.096 120.500 0.041 0.000 2.423 159 R HA 0.596 4.935 4.340 -0.001 0.000 0.293 159 R C -0.636 175.673 176.300 0.015 0.000 1.196 159 R CA -0.592 55.510 56.100 0.003 0.000 1.262 159 R CB 0.625 30.903 30.300 -0.037 0.000 1.116 159 R HN 0.505 nan 8.270 nan 0.000 0.566 160 V N -1.903 118.019 119.914 0.014 0.000 3.178 160 V HA 0.441 4.561 4.120 -0.001 0.000 0.302 160 V C -0.201 175.905 176.094 0.019 0.000 1.262 160 V CA -1.140 61.172 62.300 0.020 0.000 1.030 160 V CB 1.972 33.809 31.823 0.023 0.000 1.074 160 V HN 0.119 nan 8.190 nan 0.000 0.438 161 V N 3.147 123.076 119.914 0.026 0.000 2.585 161 V HA 0.551 4.671 4.120 -0.001 0.000 0.296 161 V C 1.662 177.773 176.094 0.028 0.000 1.035 161 V CA 1.872 64.189 62.300 0.030 0.000 1.084 161 V CB 0.187 32.030 31.823 0.034 0.000 0.953 161 V HN 2.098 nan 8.190 nan 0.000 0.483 162 G N 3.425 112.240 108.800 0.025 0.000 2.194 162 G HA2 -0.022 3.938 3.960 -0.001 0.000 0.236 162 G HA3 -0.022 3.938 3.960 -0.001 0.000 0.236 162 G C 0.980 175.870 174.900 -0.016 0.000 0.987 162 G CA 0.268 45.375 45.100 0.012 0.000 0.635 162 G HN 2.046 nan 8.290 nan 0.000 0.520 163 G N 0.217 109.015 108.800 -0.003 0.000 2.614 163 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.303 163 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.303 163 G C 1.200 176.089 174.900 -0.019 0.000 1.270 163 G CA 1.377 46.474 45.100 -0.004 0.000 0.988 163 G HN 1.115 nan 8.290 nan 0.000 0.551 164 M N 1.656 121.243 119.600 -0.022 0.000 2.557 164 M HA 0.020 4.500 4.480 -0.001 0.000 0.259 164 M C 2.680 178.934 176.300 -0.077 0.000 1.086 164 M CA 1.596 56.892 55.300 -0.008 0.000 1.096 164 M CB -0.145 32.483 32.600 0.047 0.000 1.424 164 M HN 0.687 nan 8.290 nan 0.000 0.488 165 S N -0.494 115.066 115.700 -0.234 0.000 2.555 165 S HA -0.077 4.393 4.470 -0.001 0.000 0.230 165 S C 1.736 176.254 174.600 -0.136 0.000 0.978 165 S CA 1.205 59.121 58.200 -0.473 0.000 0.934 165 S CB -0.965 61.923 63.200 -0.520 0.000 0.766 165 S HN 0.584 nan 8.310 nan 0.000 0.533 166 T N -2.520 111.964 114.554 -0.117 0.000 3.085 166 T HA 0.468 4.818 4.350 -0.001 0.000 0.263 166 T C 1.292 175.811 174.700 -0.302 0.000 1.127 166 T CA 0.548 62.558 62.100 -0.150 0.000 1.103 166 T CB -0.038 68.813 68.868 -0.028 0.000 0.921 166 T HN 0.579 nan 8.240 nan 0.000 0.510 167 A N -0.011 122.710 122.820 -0.166 0.000 2.530 167 A HA 0.411 4.731 4.320 -0.001 0.000 0.214 167 A C 0.725 178.450 177.584 0.236 0.000 1.352 167 A CA -0.561 51.528 52.037 0.088 0.000 1.035 167 A CB -0.182 18.864 19.000 0.076 0.000 1.296 167 A HN 0.643 nan 8.150 nan 0.000 0.563 168 W N 0.285 121.556 121.300 -0.048 0.000 2.042 168 W HA 0.480 5.140 4.660 -0.001 0.000 0.358 168 W C 0.701 177.220 176.519 0.001 0.000 1.325 168 W CA 0.059 57.425 57.345 0.035 0.000 1.311 168 W CB -0.538 28.956 29.460 0.057 0.000 1.210 168 W HN 0.125 nan 8.180 nan 0.000 0.620 169 G N -0.377 108.315 108.800 -0.179 0.000 2.880 169 G HA2 0.067 4.027 3.960 -0.001 0.000 0.209 169 G HA3 0.067 4.027 3.960 -0.001 0.000 0.209 169 G C 0.712 175.166 174.900 -0.744 0.000 1.157 169 G CA 0.565 45.372 45.100 -0.489 0.000 0.779 169 G HN 0.868 nan 8.290 nan 0.000 0.539 170 C N -0.906 117.583 119.300 -1.352 0.000 4.392 170 C HA -0.124 4.336 4.460 -0.001 0.000 0.280 170 C C 1.600 176.133 174.990 -0.762 0.000 1.381 170 C CA -0.808 57.208 59.018 -1.670 0.000 1.871 170 C CB -2.422 24.809 27.740 -0.850 0.000 1.323 170 C HN 0.889 nan 8.230 nan 0.000 0.772 171 A N 0.973 123.545 122.820 -0.413 0.000 2.362 171 A HA 0.586 4.905 4.320 -0.001 0.000 0.276 171 A C 0.746 178.263 177.584 -0.111 0.000 1.153 171 A CA 1.016 52.961 52.037 -0.154 0.000 0.813 171 A CB 0.247 19.236 19.000 -0.018 0.000 1.081 171 A HN 1.376 nan 8.150 nan 0.000 0.507 172 T N 1.290 115.794 114.554 -0.083 0.000 3.542 172 T HA 0.514 4.864 4.350 -0.001 0.000 0.276 172 T C -2.858 171.806 174.700 -0.060 0.000 1.412 172 T CA -1.445 60.635 62.100 -0.034 0.000 1.664 172 T CB 0.576 69.449 68.868 0.009 0.000 0.863 172 T HN 0.426 nan 8.240 nan 0.000 0.661 173 P HA 0.398 nan 4.420 nan 0.000 0.277 173 P C -0.088 177.084 177.300 -0.214 0.000 1.240 173 P CA -0.609 62.407 63.100 -0.141 0.000 0.798 173 P CB 1.086 32.672 31.700 -0.190 0.000 0.979 174 R N 0.994 121.285 120.500 -0.348 0.000 2.615 174 R HA 0.377 4.717 4.340 -0.001 0.000 0.270 174 R C 0.050 176.247 176.300 -0.171 0.000 1.081 174 R CA -0.296 55.411 56.100 -0.656 0.000 1.154 174 R CB 0.134 29.894 30.300 -0.899 0.000 1.063 174 R HN 0.367 nan 8.270 nan 0.000 0.519 175 F N 1.642 121.369 119.950 -0.372 0.000 2.385 175 F HA 0.092 4.619 4.527 -0.001 0.000 0.336 175 F C 0.859 176.479 175.800 -0.300 0.000 1.100 175 F CA -1.555 56.254 58.000 -0.317 0.000 1.116 175 F CB 0.588 39.394 39.000 -0.323 0.000 1.166 175 F HN 0.540 nan 8.300 nan 0.000 0.511 176 D N 2.233 122.559 120.400 -0.124 0.000 2.423 176 D HA 0.184 4.823 4.640 -0.001 0.000 0.255 176 D C 1.006 177.216 176.300 -0.150 0.000 1.174 176 D CA -0.477 53.451 54.000 -0.120 0.000 1.008 176 D CB 0.633 41.379 40.800 -0.090 0.000 1.101 176 D HN 0.461 nan 8.370 nan 0.000 0.516 177 R N -0.322 120.116 120.500 -0.102 0.000 2.103 177 R HA -0.205 4.134 4.340 -0.001 0.000 0.242 177 R C 2.053 178.296 176.300 -0.096 0.000 1.142 177 R CA 1.876 57.921 56.100 -0.091 0.000 0.960 177 R CB -0.320 29.963 30.300 -0.027 0.000 0.858 177 R HN 0.688 nan 8.270 nan 0.000 0.439 178 E N 0.817 120.960 120.200 -0.094 0.000 2.209 178 E HA -0.228 4.121 4.350 -0.001 0.000 0.196 178 E C 1.432 177.924 176.600 -0.181 0.000 0.993 178 E CA 1.274 57.624 56.400 -0.083 0.000 0.819 178 E CB 0.183 29.883 29.700 -0.001 0.000 0.745 178 E HN 0.406 nan 8.360 nan 0.000 0.477 179 Q N -0.525 119.071 119.800 -0.340 0.000 2.319 179 Q HA 0.132 4.472 4.340 -0.001 0.000 0.202 179 Q C 0.202 176.098 176.000 -0.174 0.000 0.896 179 Q CA -0.128 55.414 55.803 -0.436 0.000 0.942 179 Q CB 0.637 28.811 28.738 -0.939 0.000 1.083 179 Q HN -0.034 nan 8.270 nan 0.000 0.510 180 R N 1.986 122.423 120.500 -0.105 0.000 2.514 180 R HA 0.325 4.664 4.340 -0.001 0.000 0.301 180 R C -2.594 173.696 176.300 -0.017 0.000 0.962 180 R CA -2.086 53.951 56.100 -0.104 0.000 0.882 180 R CB 1.201 31.257 30.300 -0.406 0.000 1.143 180 R HN -0.120 nan 8.270 nan 0.000 0.452 181 P HA 0.076 nan 4.420 nan 0.000 0.275 181 P C -0.500 176.970 177.300 0.284 0.000 1.228 181 P CA -0.221 62.969 63.100 0.151 0.000 0.786 181 P CB 0.805 32.587 31.700 0.136 0.000 0.927 182 L N 2.711 124.067 121.223 0.221 0.000 2.453 182 L HA 0.078 4.418 4.340 -0.001 0.000 0.272 182 L C 1.713 178.733 176.870 0.249 0.000 1.182 182 L CA 0.037 55.070 54.840 0.320 0.000 0.858 182 L CB 0.040 42.337 42.059 0.397 0.000 1.120 182 L HN 0.381 nan 8.230 nan 0.000 0.474 183 L N 3.558 124.956 121.223 0.293 0.000 2.672 183 L HA 0.226 4.565 4.340 -0.001 0.000 0.236 183 L C -0.360 176.676 176.870 0.277 0.000 1.092 183 L CA 0.119 55.024 54.840 0.108 0.000 0.887 183 L CB 0.840 42.755 42.059 -0.240 0.000 1.168 183 L HN 0.332 nan 8.230 nan 0.000 0.502 184 V N 0.270 120.366 119.914 0.302 0.000 2.569 184 V HA 0.253 4.372 4.120 -0.001 0.000 0.301 184 V C -0.259 175.917 176.094 0.136 0.000 1.044 184 V CA -1.098 61.317 62.300 0.192 0.000 0.874 184 V CB 1.919 33.800 31.823 0.096 0.000 1.002 184 V HN 0.060 nan 8.190 nan 0.000 0.424 185 K N 3.110 123.455 120.400 -0.090 0.000 2.368 185 K HA 0.179 4.498 4.320 -0.001 0.000 0.282 185 K C -0.030 176.535 176.600 -0.059 0.000 1.035 185 K CA 0.070 56.257 56.287 -0.166 0.000 0.973 185 K CB 0.202 32.456 32.500 -0.410 0.000 0.957 185 K HN 0.813 nan 8.250 nan 0.000 0.474 186 D N 2.454 122.847 120.400 -0.012 0.000 2.689 186 D HA -0.196 4.443 4.640 -0.001 0.000 0.237 186 D C -0.621 175.684 176.300 0.008 0.000 1.148 186 D CA 1.155 55.154 54.000 -0.001 0.000 0.656 186 D CB -0.628 40.158 40.800 -0.023 0.000 1.050 186 D HN 0.603 nan 8.370 nan 0.000 0.426 187 D N -1.328 119.090 120.400 0.029 0.000 2.881 187 D HA 0.319 4.959 4.640 -0.001 0.000 0.238 187 D C 0.916 177.250 176.300 0.057 0.000 1.368 187 D CA 0.194 54.215 54.000 0.034 0.000 0.871 187 D CB 0.224 41.039 40.800 0.025 0.000 1.516 187 D HN 0.043 nan 8.370 nan 0.000 0.544 188 A N 1.637 124.493 122.820 0.059 0.000 1.933 188 A HA -0.162 4.158 4.320 -0.001 0.000 0.218 188 A C 1.697 179.328 177.584 0.079 0.000 1.175 188 A CA 1.399 53.482 52.037 0.076 0.000 0.628 188 A CB -0.018 19.020 19.000 0.063 0.000 0.814 188 A HN 0.432 nan 8.150 nan 0.000 0.444 189 D N 0.148 120.585 120.400 0.061 0.000 2.117 189 D HA -0.076 4.564 4.640 -0.001 0.000 0.197 189 D C 2.227 178.566 176.300 0.065 0.000 0.987 189 D CA 1.517 55.552 54.000 0.059 0.000 0.829 189 D CB -0.351 40.475 40.800 0.043 0.000 0.961 189 D HN 0.447 nan 8.370 nan 0.000 0.460 190 A N 0.942 123.797 122.820 0.058 0.000 1.930 190 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 190 A C 1.956 179.584 177.584 0.073 0.000 1.175 190 A CA 1.891 53.959 52.037 0.052 0.000 0.627 190 A CB -0.521 18.502 19.000 0.038 0.000 0.815 190 A HN 0.159 nan 8.150 nan 0.000 0.443 191 D N -0.220 120.246 120.400 0.109 0.000 2.117 191 D HA -0.164 4.476 4.640 -0.001 0.000 0.197 191 D C 1.292 177.746 176.300 0.257 0.000 0.987 191 D CA 1.557 55.664 54.000 0.179 0.000 0.829 191 D CB -0.129 40.805 40.800 0.224 0.000 0.961 191 D HN 0.326 nan 8.370 nan 0.000 0.460 192 D N -0.339 120.184 120.400 0.204 0.000 2.123 192 D HA -0.119 4.520 4.640 -0.001 0.000 0.196 192 D C 1.983 178.396 176.300 0.189 0.000 0.992 192 D CA 1.450 55.575 54.000 0.208 0.000 0.833 192 D CB -0.526 40.352 40.800 0.130 0.000 0.954 192 D HN 0.331 nan 8.370 nan 0.000 0.455 193 A N 0.558 123.449 122.820 0.119 0.000 1.898 193 A HA -0.185 4.135 4.320 -0.001 0.000 0.216 193 A C 2.136 179.753 177.584 0.055 0.000 1.181 193 A CA 1.853 53.937 52.037 0.079 0.000 0.620 193 A CB -0.486 18.542 19.000 0.047 0.000 0.819 193 A HN 0.176 nan 8.150 nan 0.000 0.442 194 E N -0.807 119.406 120.200 0.021 0.000 2.051 194 E HA -0.198 4.151 4.350 -0.001 0.000 0.192 194 E C 1.671 178.186 176.600 -0.141 0.000 0.991 194 E CA 1.570 57.913 56.400 -0.095 0.000 0.799 194 E CB -0.470 29.128 29.700 -0.169 0.000 0.748 194 E HN 0.707 nan 8.360 nan 0.000 0.449 195 W N 0.858 122.125 121.300 -0.056 0.000 2.338 195 W HA -0.148 4.511 4.660 -0.001 0.000 0.304 195 W C 2.211 178.732 176.519 0.004 0.000 1.212 195 W CA 1.435 58.716 57.345 -0.107 0.000 1.264 195 W CB -0.515 28.922 29.460 -0.037 0.000 1.142 195 W HN 0.267 nan 8.180 nan 0.000 0.512 196 D N -0.090 120.484 120.400 0.291 0.000 2.117 196 D HA -0.221 4.419 4.640 -0.001 0.000 0.197 196 D C 2.187 178.568 176.300 0.135 0.000 0.987 196 D CA 1.600 55.737 54.000 0.229 0.000 0.829 196 D CB -0.216 40.675 40.800 0.152 0.000 0.961 196 D HN 0.000 nan 8.370 nan 0.000 0.460 197 R N -0.171 120.360 120.500 0.052 0.000 2.075 197 R HA -0.068 4.271 4.340 -0.001 0.000 0.232 197 R C 2.394 178.664 176.300 -0.049 0.000 1.126 197 R CA 0.984 57.079 56.100 -0.007 0.000 0.963 197 R CB -0.326 29.950 30.300 -0.040 0.000 0.858 197 R HN 0.264 nan 8.270 nan 0.000 0.435 198 L N -0.283 120.878 121.223 -0.104 0.000 2.027 198 L HA -0.176 4.163 4.340 -0.001 0.000 0.206 198 L C 2.379 179.193 176.870 -0.094 0.000 1.074 198 L CA 1.230 55.954 54.840 -0.194 0.000 0.745 198 L CB -0.617 41.218 42.059 -0.374 0.000 0.898 198 L HN 0.200 nan 8.230 nan 0.000 0.433 199 Y N 0.353 120.663 120.300 0.017 0.000 2.224 199 Y HA -0.236 4.313 4.550 -0.001 0.000 0.289 199 Y C 2.870 178.755 175.900 -0.026 0.000 1.146 199 Y CA 1.543 59.657 58.100 0.023 0.000 1.182 199 Y CB -1.119 37.386 38.460 0.075 0.000 0.983 199 Y HN 0.143 nan 8.280 nan 0.000 0.524 200 T N -0.395 114.238 114.554 0.132 0.000 2.746 200 T HA -0.217 4.132 4.350 -0.001 0.000 0.267 200 T C 1.980 176.655 174.700 -0.041 0.000 1.039 200 T CA 1.733 63.861 62.100 0.045 0.000 1.142 200 T CB -0.162 68.725 68.868 0.031 0.000 0.866 200 T HN 0.221 nan 8.240 nan 0.000 0.444 201 K N 0.688 121.008 120.400 -0.134 0.000 2.062 201 K HA 0.070 4.389 4.320 -0.001 0.000 0.205 201 K C 2.528 178.822 176.600 -0.510 0.000 1.051 201 K CA 0.967 57.049 56.287 -0.341 0.000 0.941 201 K CB -0.263 31.981 32.500 -0.426 0.000 0.719 201 K HN 0.259 nan 8.250 nan 0.000 0.440 202 A N 1.294 123.925 122.820 -0.314 0.000 1.908 202 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 202 A C 1.817 179.420 177.584 0.032 0.000 1.181 202 A CA 1.801 53.722 52.037 -0.192 0.000 0.627 202 A CB -0.503 18.494 19.000 -0.005 0.000 0.818 202 A HN 0.432 nan 8.150 nan 0.000 0.445 203 E N 0.141 120.397 120.200 0.093 0.000 2.153 203 E HA -0.157 4.193 4.350 -0.001 0.000 0.194 203 E C 2.359 179.048 176.600 0.149 0.000 0.988 203 E CA 1.385 57.882 56.400 0.162 0.000 0.811 203 E CB -0.157 29.605 29.700 0.104 0.000 0.746 203 E HN 0.834 nan 8.360 nan 0.000 0.466 204 S N 0.052 115.790 115.700 0.064 0.000 2.368 204 S HA -0.161 4.308 4.470 -0.001 0.000 0.224 204 S C 1.899 176.642 174.600 0.237 0.000 1.029 204 S CA 0.640 58.904 58.200 0.106 0.000 0.988 204 S CB -0.423 62.812 63.200 0.059 0.000 0.838 204 S HN 0.202 nan 8.310 nan 0.000 0.462 205 Y N 0.640 120.958 120.300 0.030 0.000 2.224 205 Y HA 0.143 4.692 4.550 -0.001 0.000 0.289 205 Y C 1.989 177.919 175.900 0.050 0.000 1.146 205 Y CA -0.162 57.923 58.100 -0.025 0.000 1.182 205 Y CB -1.061 37.303 38.460 -0.160 0.000 0.983 205 Y HN 0.300 nan 8.280 nan 0.000 0.524 206 F N 0.220 120.331 119.950 0.269 0.000 2.789 206 F HA 0.044 4.570 4.527 -0.001 0.000 0.300 206 F C 0.820 176.737 175.800 0.195 0.000 1.132 206 F CA 0.123 58.272 58.000 0.248 0.000 1.404 206 F CB -0.291 38.877 39.000 0.280 0.000 1.114 206 F HN -0.029 nan 8.300 nan 0.000 0.584 207 Q N 0.484 120.474 119.800 0.317 0.000 2.463 207 Q HA -0.194 4.145 4.340 -0.001 0.000 0.299 207 Q C 0.049 176.143 176.000 0.157 0.000 1.353 207 Q CA 0.757 56.675 55.803 0.191 0.000 0.828 207 Q CB -2.641 26.186 28.738 0.149 0.000 1.157 207 Q HN 0.218 nan 8.270 nan 0.000 0.436 208 T N -0.027 114.634 114.554 0.178 0.000 2.902 208 T HA 0.430 4.779 4.350 -0.001 0.000 0.301 208 T C 0.785 175.523 174.700 0.064 0.000 1.012 208 T CA 0.580 62.747 62.100 0.111 0.000 1.151 208 T CB 1.239 70.180 68.868 0.123 0.000 0.946 208 T HN 0.467 nan 8.240 nan 0.000 0.542 209 G N 0.743 109.565 108.800 0.037 0.000 2.672 209 G HA2 0.556 4.515 3.960 -0.001 0.000 0.292 209 G HA3 0.556 4.515 3.960 -0.001 0.000 0.292 209 G C 0.135 175.052 174.900 0.028 0.000 1.375 209 G CA -0.752 44.361 45.100 0.022 0.000 0.890 209 G HN 0.624 nan 8.290 nan 0.000 0.476 210 T N -2.197 112.375 114.554 0.029 0.000 3.296 210 T HA 0.263 4.613 4.350 -0.001 0.000 0.285 210 T C 0.121 174.848 174.700 0.044 0.000 1.014 210 T CA 0.332 62.460 62.100 0.047 0.000 0.920 210 T CB 0.317 69.216 68.868 0.052 0.000 1.143 210 T HN 0.499 nan 8.240 nan 0.000 0.522 211 D N 0.181 120.588 120.400 0.012 0.000 2.500 211 D HA 0.043 4.682 4.640 -0.001 0.000 0.217 211 D C 1.316 177.561 176.300 -0.092 0.000 1.159 211 D CA -0.048 53.938 54.000 -0.023 0.000 0.828 211 D CB -0.017 40.761 40.800 -0.037 0.000 1.039 211 D HN 0.266 nan 8.370 nan 0.000 0.512 212 Q N -0.282 119.455 119.800 -0.104 0.000 2.297 212 Q HA 0.140 4.480 4.340 -0.001 0.000 0.204 212 Q C 0.386 176.020 176.000 -0.611 0.000 0.962 212 Q CA 0.857 56.466 55.803 -0.324 0.000 0.879 212 Q CB -0.274 28.252 28.738 -0.354 0.000 0.947 212 Q HN 0.263 nan 8.270 nan 0.000 0.462 213 F N 0.414 120.206 119.950 -0.263 0.000 2.684 213 F HA 0.221 4.748 4.527 -0.001 0.000 0.298 213 F C 1.222 176.862 175.800 -0.268 0.000 1.120 213 F CA -0.424 57.379 58.000 -0.330 0.000 1.332 213 F CB 0.216 38.916 39.000 -0.500 0.000 0.986 213 F HN 0.027 nan 8.300 nan 0.000 0.524 214 K N 0.076 120.407 120.400 -0.115 0.000 2.288 214 K HA -0.044 4.275 4.320 -0.001 0.000 0.201 214 K C 0.633 177.163 176.600 -0.117 0.000 1.048 214 K CA 1.317 57.594 56.287 -0.015 0.000 0.956 214 K CB -0.122 32.356 32.500 -0.036 0.000 0.746 214 K HN 0.302 nan 8.250 nan 0.000 0.461 215 E N 1.793 121.788 120.200 -0.342 0.000 2.423 215 E HA 0.054 4.404 4.350 -0.001 0.000 0.198 215 E C -0.728 175.678 176.600 -0.324 0.000 1.038 215 E CA -0.241 55.706 56.400 -0.754 0.000 1.011 215 E CB 0.890 30.097 29.700 -0.821 0.000 1.118 215 E HN 0.180 nan 8.360 nan 0.000 0.451 216 S N 0.575 116.289 115.700 0.023 0.000 2.480 216 S HA 0.251 4.721 4.470 -0.001 0.000 0.286 216 S C 1.109 175.845 174.600 0.225 0.000 1.180 216 S CA -0.531 57.749 58.200 0.135 0.000 1.075 216 S CB 0.719 64.050 63.200 0.218 0.000 0.996 216 S HN 0.185 nan 8.310 nan 0.000 0.487 217 I N 4.740 125.304 120.570 -0.009 0.000 2.179 217 I HA -0.138 4.032 4.170 -0.001 0.000 0.242 217 I C 2.738 178.662 176.117 -0.321 0.000 1.088 217 I CA 1.129 62.137 61.300 -0.487 0.000 1.357 217 I CB -0.165 37.297 38.000 -0.897 0.000 1.051 217 I HN 0.701 nan 8.210 nan 0.000 0.409 218 R N -0.592 119.825 120.500 -0.138 0.000 2.081 218 R HA -0.245 4.095 4.340 -0.001 0.000 0.235 218 R C 2.382 178.716 176.300 0.057 0.000 1.131 218 R CA 1.861 57.934 56.100 -0.045 0.000 0.960 218 R CB -0.670 29.619 30.300 -0.017 0.000 0.856 218 R HN 0.422 nan 8.270 nan 0.000 0.436 219 H N 1.106 120.205 119.070 0.047 0.000 2.290 219 H HA -0.071 4.484 4.556 -0.001 0.000 0.298 219 H C 1.758 177.169 175.328 0.138 0.000 1.087 219 H CA 2.005 58.106 56.048 0.089 0.000 1.291 219 H CB -0.129 29.724 29.762 0.151 0.000 1.369 219 H HN 0.136 nan 8.280 nan 0.000 0.492 220 N N -0.008 118.803 118.700 0.185 0.000 2.270 220 N HA -0.117 4.623 4.740 -0.001 0.000 0.181 220 N C 2.029 177.693 175.510 0.257 0.000 1.016 220 N CA 0.941 54.136 53.050 0.240 0.000 0.870 220 N CB -0.165 38.657 38.487 0.558 0.000 0.979 220 N HN 0.311 nan 8.380 nan 0.000 0.431 221 L N 1.246 122.626 121.223 0.263 0.000 2.017 221 L HA -0.108 4.232 4.340 -0.001 0.000 0.208 221 L C 2.104 179.043 176.870 0.115 0.000 1.073 221 L CA 1.398 56.409 54.840 0.285 0.000 0.745 221 L CB -0.534 41.637 42.059 0.186 0.000 0.894 221 L HN -0.135 nan 8.230 nan 0.000 0.432 222 V N -0.739 119.190 119.914 0.026 0.000 2.379 222 V HA -0.216 3.904 4.120 -0.001 0.000 0.245 222 V C 2.416 178.450 176.094 -0.100 0.000 1.044 222 V CA 1.486 63.770 62.300 -0.027 0.000 1.036 222 V CB -0.554 31.231 31.823 -0.064 0.000 0.664 222 V HN 0.504 nan 8.190 nan 0.000 0.453 223 L N 1.098 122.224 121.223 -0.162 0.000 2.017 223 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 223 L C 2.200 179.011 176.870 -0.099 0.000 1.073 223 L CA 2.046 56.781 54.840 -0.175 0.000 0.745 223 L CB -0.956 40.956 42.059 -0.245 0.000 0.894 223 L HN 0.313 nan 8.230 nan 0.000 0.432 224 N N -0.035 118.651 118.700 -0.023 0.000 2.166 224 N HA -0.216 4.523 4.740 -0.001 0.000 0.186 224 N C 1.831 177.325 175.510 -0.027 0.000 1.019 224 N CA 1.438 54.490 53.050 0.003 0.000 0.856 224 N CB -0.324 38.188 38.487 0.042 0.000 0.993 224 N HN 0.336 nan 8.380 nan 0.000 0.426 225 K N 1.153 121.537 120.400 -0.027 0.000 2.062 225 K HA 0.106 4.426 4.320 -0.001 0.000 0.205 225 K C 1.926 178.481 176.600 -0.074 0.000 1.051 225 K CA 0.756 57.027 56.287 -0.028 0.000 0.941 225 K CB -0.303 32.201 32.500 0.007 0.000 0.719 225 K HN 0.095 nan 8.250 nan 0.000 0.440 226 L N 0.100 121.215 121.223 -0.180 0.000 2.109 226 L HA -0.120 4.220 4.340 -0.001 0.000 0.207 226 L C 2.193 178.866 176.870 -0.328 0.000 1.086 226 L CA 1.470 56.083 54.840 -0.378 0.000 0.760 226 L CB -0.662 40.822 42.059 -0.958 0.000 0.910 226 L HN 0.244 nan 8.230 nan 0.000 0.437 227 T N -0.671 113.743 114.554 -0.233 0.000 2.665 227 T HA -0.293 4.057 4.350 -0.001 0.000 0.268 227 T C 1.765 176.508 174.700 0.072 0.000 1.035 227 T CA 1.935 64.059 62.100 0.041 0.000 1.151 227 T CB -0.137 68.766 68.868 0.058 0.000 0.862 227 T HN 0.394 nan 8.240 nan 0.000 0.438 228 E N 0.493 120.700 120.200 0.011 0.000 2.047 228 E HA -0.156 4.194 4.350 -0.001 0.000 0.191 228 E C 2.204 178.798 176.600 -0.010 0.000 0.987 228 E CA 0.918 57.320 56.400 0.003 0.000 0.799 228 E CB 0.053 29.739 29.700 -0.023 0.000 0.752 228 E HN 0.361 nan 8.360 nan 0.000 0.449 229 E N -0.392 119.785 120.200 -0.038 0.000 2.204 229 E HA -0.164 4.186 4.350 -0.001 0.000 0.195 229 E C 0.791 177.242 176.600 -0.247 0.000 0.990 229 E CA 0.927 57.234 56.400 -0.155 0.000 0.821 229 E CB 0.031 29.610 29.700 -0.203 0.000 0.750 229 E HN 0.491 nan 8.360 nan 0.000 0.477 230 Y N 0.406 120.742 120.300 0.059 0.000 2.681 230 Y HA 0.198 4.747 4.550 -0.001 0.000 0.267 230 Y C 0.519 176.483 175.900 0.107 0.000 1.166 230 Y CA -0.458 57.716 58.100 0.124 0.000 1.209 230 Y CB 0.302 38.936 38.460 0.290 0.000 1.161 230 Y HN -0.259 nan 8.280 nan 0.000 0.534 231 K N 0.704 121.193 120.400 0.148 0.000 2.466 231 K HA 0.145 4.465 4.320 -0.001 0.000 0.278 231 K C 1.263 177.919 176.600 0.093 0.000 1.048 231 K CA 1.471 57.823 56.287 0.108 0.000 1.088 231 K CB -0.193 32.340 32.500 0.055 0.000 0.884 231 K HN 0.625 nan 8.250 nan 0.000 0.478 232 G N 2.968 111.825 108.800 0.095 0.000 2.217 232 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.246 232 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.246 232 G C 0.698 175.650 174.900 0.087 0.000 0.990 232 G CA 0.568 45.712 45.100 0.074 0.000 0.627 232 G HN 0.690 nan 8.290 nan 0.000 0.522 233 Q N -1.195 118.683 119.800 0.129 0.000 2.620 233 Q HA 0.304 4.643 4.340 -0.001 0.000 0.232 233 Q C 1.048 177.125 176.000 0.129 0.000 0.836 233 Q CA 0.134 56.023 55.803 0.143 0.000 0.938 233 Q CB 0.987 29.844 28.738 0.199 0.000 1.242 233 Q HN 0.439 nan 8.270 nan 0.000 0.624 234 R N 0.613 121.200 120.500 0.145 0.000 2.698 234 R HA 0.373 4.712 4.340 -0.001 0.000 0.275 234 R C -1.595 174.711 176.300 0.010 0.000 1.001 234 R CA -0.651 55.427 56.100 -0.037 0.000 0.896 234 R CB 1.793 31.856 30.300 -0.395 0.000 1.218 234 R HN 0.014 nan 8.270 nan 0.000 0.462 235 D N 1.757 122.098 120.400 -0.099 0.000 2.168 235 D HA 0.366 5.005 4.640 -0.001 0.000 0.246 235 D C -0.696 175.483 176.300 -0.201 0.000 1.050 235 D CA 0.080 54.069 54.000 -0.019 0.000 0.857 235 D CB 1.353 42.157 40.800 0.007 0.000 1.169 235 D HN 0.136 nan 8.370 nan 0.000 0.453 236 F N 0.815 120.771 119.950 0.011 0.000 2.522 236 F HA 0.350 4.877 4.527 -0.001 0.000 0.324 236 F C 0.679 176.497 175.800 0.030 0.000 1.077 236 F CA -0.653 57.349 58.000 0.003 0.000 0.944 236 F CB 1.841 40.838 39.000 -0.004 0.000 1.175 236 F HN 0.213 nan 8.300 nan 0.000 0.468 237 Q N 0.268 120.187 119.800 0.199 0.000 2.648 237 Q HA 0.348 4.687 4.340 -0.001 0.000 0.300 237 Q C -1.550 174.566 176.000 0.194 0.000 0.954 237 Q CA -1.278 54.625 55.803 0.166 0.000 0.757 237 Q CB 1.793 30.597 28.738 0.110 0.000 1.482 237 Q HN 0.624 nan 8.270 nan 0.000 0.437 238 Q N 1.046 120.981 119.800 0.224 0.000 2.337 238 Q HA 0.217 4.557 4.340 -0.001 0.000 0.270 238 Q C -0.498 175.576 176.000 0.122 0.000 1.002 238 Q CA -0.190 55.753 55.803 0.232 0.000 0.888 238 Q CB 0.500 29.343 28.738 0.174 0.000 1.222 238 Q HN 0.589 nan 8.270 nan 0.000 0.400 239 I N 7.122 127.745 120.570 0.089 0.000 2.821 239 I HA -0.077 4.092 4.170 -0.001 0.000 0.294 239 I C -1.948 174.195 176.117 0.043 0.000 1.210 239 I CA -1.292 60.039 61.300 0.052 0.000 1.430 239 I CB 0.102 38.108 38.000 0.010 0.000 1.356 239 I HN 0.459 nan 8.210 nan 0.000 0.563 240 P HA 0.203 nan 4.420 nan 0.000 0.266 240 P C -0.889 176.413 177.300 0.004 0.000 1.215 240 P CA 0.210 63.321 63.100 0.019 0.000 0.763 240 P CB 0.434 32.133 31.700 -0.003 0.000 0.806 241 L N 2.446 123.681 121.223 0.019 0.000 2.410 241 L HA 0.608 4.948 4.340 -0.001 0.000 0.270 241 L C 0.196 177.070 176.870 0.007 0.000 0.983 241 L CA -1.149 53.700 54.840 0.016 0.000 0.822 241 L CB 2.162 44.296 42.059 0.125 0.000 1.285 241 L HN 0.244 nan 8.230 nan 0.000 0.409 242 A N 3.308 126.092 122.820 -0.060 0.000 2.539 242 A HA 0.765 5.084 4.320 -0.001 0.000 0.306 242 A C 0.038 177.658 177.584 0.060 0.000 1.392 242 A CA 0.225 52.268 52.037 0.009 0.000 1.060 242 A CB -0.301 18.654 19.000 -0.076 0.000 1.134 242 A HN 0.830 nan 8.150 nan 0.000 0.542 243 A N 2.052 124.875 122.820 0.005 0.000 2.581 243 A HA 0.686 5.006 4.320 -0.001 0.000 0.294 243 A C -0.529 176.943 177.584 -0.187 0.000 1.035 243 A CA -0.461 51.479 52.037 -0.162 0.000 0.684 243 A CB 0.552 19.300 19.000 -0.420 0.000 1.282 243 A HN 0.728 nan 8.150 nan 0.000 0.417 244 T N 1.428 115.835 114.554 -0.246 0.000 2.840 244 T HA 0.496 4.846 4.350 -0.001 0.000 0.287 244 T C -0.077 174.457 174.700 -0.277 0.000 0.991 244 T CA -0.425 61.558 62.100 -0.195 0.000 0.964 244 T CB 1.267 70.077 68.868 -0.095 0.000 0.954 244 T HN 0.731 nan 8.240 nan 0.000 0.438 245 R N 2.329 122.655 120.500 -0.291 0.000 2.401 245 R HA 0.243 4.583 4.340 -0.001 0.000 0.299 245 R C 0.831 177.033 176.300 -0.164 0.000 1.064 245 R CA -0.370 55.546 56.100 -0.305 0.000 1.000 245 R CB 0.372 30.462 30.300 -0.350 0.000 0.973 245 R HN 0.379 nan 8.270 nan 0.000 0.438 246 R N 1.069 121.526 120.500 -0.073 0.000 2.175 246 R HA 0.122 4.462 4.340 -0.001 0.000 0.202 246 R C 0.290 176.572 176.300 -0.030 0.000 1.018 246 R CA 0.780 56.876 56.100 -0.008 0.000 1.029 246 R CB 0.137 30.499 30.300 0.103 0.000 0.959 246 R HN 0.753 nan 8.270 nan 0.000 0.480 247 S N -1.470 114.215 115.700 -0.025 0.000 2.615 247 S HA 0.409 4.879 4.470 -0.001 0.000 0.269 247 S C -2.615 171.942 174.600 -0.070 0.000 1.161 247 S CA -1.103 57.076 58.200 -0.035 0.000 0.817 247 S CB 2.268 65.470 63.200 0.004 0.000 1.131 247 S HN -0.252 nan 8.310 nan 0.000 0.467 248 P HA 0.074 nan 4.420 nan 0.000 0.228 248 P C 0.888 178.148 177.300 -0.068 0.000 1.151 248 P CA 1.353 64.397 63.100 -0.093 0.000 0.770 248 P CB -0.190 31.472 31.700 -0.064 0.000 0.786 249 T N -6.374 108.173 114.554 -0.011 0.000 3.231 249 T HA 0.324 4.673 4.350 -0.001 0.000 0.292 249 T C -0.312 174.441 174.700 0.089 0.000 1.001 249 T CA -0.385 61.731 62.100 0.026 0.000 0.920 249 T CB -0.691 68.209 68.868 0.055 0.000 1.140 249 T HN -0.128 nan 8.240 nan 0.000 0.525 250 F N 1.449 121.328 119.950 -0.120 0.000 2.573 250 F HA 0.633 5.159 4.527 -0.001 0.000 0.316 250 F C -1.569 174.085 175.800 -0.245 0.000 1.148 250 F CA -1.017 56.904 58.000 -0.131 0.000 0.940 250 F CB 1.945 40.885 39.000 -0.099 0.000 1.214 250 F HN -0.098 nan 8.300 nan 0.000 0.448 251 V N 5.301 124.710 119.914 -0.843 0.000 2.357 251 V HA 0.242 4.362 4.120 -0.001 0.000 0.284 251 V C -0.116 175.313 176.094 -1.108 0.000 1.018 251 V CA -0.810 60.918 62.300 -0.953 0.000 0.841 251 V CB 1.518 32.565 31.823 -1.293 0.000 0.991 251 V HN 0.721 nan 8.190 nan 0.000 0.437 252 E N 4.765 124.640 120.200 -0.541 0.000 1.944 252 E HA 0.070 4.419 4.350 -0.001 0.000 0.272 252 E C -0.950 175.430 176.600 -0.367 0.000 1.195 252 E CA -0.450 55.794 56.400 -0.261 0.000 0.926 252 E CB 0.298 30.005 29.700 0.012 0.000 1.051 252 E HN 0.629 nan 8.360 nan 0.000 0.404 253 W N 2.580 123.755 121.300 -0.209 0.000 2.216 253 W HA 0.075 4.734 4.660 -0.001 0.000 0.326 253 W C 0.838 177.373 176.519 0.026 0.000 1.319 253 W CA -0.477 56.733 57.345 -0.225 0.000 1.213 253 W CB 0.681 29.780 29.460 -0.601 0.000 1.171 253 W HN 0.270 nan 8.180 nan 0.000 0.557 254 S N 1.582 117.491 115.700 0.348 0.000 2.614 254 S HA 0.599 5.068 4.470 -0.001 0.000 0.265 254 S C 0.174 175.215 174.600 0.736 0.000 1.303 254 S CA -0.442 58.034 58.200 0.460 0.000 1.000 254 S CB 1.055 64.536 63.200 0.468 0.000 0.935 254 S HN 0.525 nan 8.310 nan 0.000 0.551 255 S N -0.331 115.749 115.700 0.634 0.000 2.703 255 S HA 0.659 5.129 4.470 -0.001 0.000 0.273 255 S C 0.752 175.550 174.600 0.330 0.000 1.178 255 S CA -0.310 58.200 58.200 0.517 0.000 0.838 255 S CB 0.473 63.891 63.200 0.362 0.000 1.178 255 S HN 0.721 nan 8.310 nan 0.000 0.494 256 A N 1.635 124.546 122.820 0.152 0.000 1.927 256 A HA -0.203 4.116 4.320 -0.001 0.000 0.220 256 A C 2.001 179.635 177.584 0.083 0.000 1.185 256 A CA 2.232 54.316 52.037 0.078 0.000 0.639 256 A CB -1.600 17.419 19.000 0.032 0.000 0.820 256 A HN 0.876 nan 8.150 nan 0.000 0.451 257 N N -0.716 118.041 118.700 0.094 0.000 2.205 257 N HA -0.154 4.586 4.740 -0.001 0.000 0.186 257 N C 1.487 177.023 175.510 0.042 0.000 1.015 257 N CA 1.979 55.056 53.050 0.045 0.000 0.862 257 N CB -0.190 38.336 38.487 0.065 0.000 0.986 257 N HN 0.475 nan 8.380 nan 0.000 0.429 258 T N 0.375 115.003 114.554 0.123 0.000 2.821 258 T HA -0.039 4.310 4.350 -0.001 0.000 0.267 258 T C 2.076 176.811 174.700 0.059 0.000 1.046 258 T CA 0.916 63.091 62.100 0.124 0.000 1.139 258 T CB -0.138 68.878 68.868 0.246 0.000 0.871 258 T HN 0.047 nan 8.240 nan 0.000 0.454 259 V N -0.312 119.622 119.914 0.034 0.000 2.323 259 V HA 0.126 4.246 4.120 -0.001 0.000 0.244 259 V C 0.531 176.586 176.094 -0.066 0.000 1.041 259 V CA 1.030 63.272 62.300 -0.096 0.000 1.025 259 V CB -0.315 31.405 31.823 -0.172 0.000 0.656 259 V HN 0.482 nan 8.190 nan 0.000 0.451 260 F N 0.925 120.755 119.950 -0.200 0.000 2.588 260 F HA 0.390 4.916 4.527 -0.001 0.000 0.318 260 F C 0.327 176.018 175.800 -0.182 0.000 1.155 260 F CA -1.678 56.178 58.000 -0.239 0.000 0.967 260 F CB 1.445 40.253 39.000 -0.320 0.000 1.236 260 F HN 0.163 nan 8.300 nan 0.000 0.455 261 D N 4.910 124.869 120.400 -0.735 0.000 2.371 261 D HA -0.074 4.566 4.640 -0.001 0.000 0.221 261 D C 1.222 177.241 176.300 -0.469 0.000 0.986 261 D CA 1.180 54.892 54.000 -0.479 0.000 0.899 261 D CB -0.026 40.553 40.800 -0.368 0.000 0.902 261 D HN 0.711 nan 8.370 nan 0.000 0.530 262 L N -2.185 118.588 121.223 -0.750 0.000 4.937 262 L HA -0.235 4.105 4.340 -0.001 0.000 0.422 262 L C -0.215 176.611 176.870 -0.073 0.000 1.059 262 L CA 0.482 55.168 54.840 -0.257 0.000 1.111 262 L CB -1.382 40.668 42.059 -0.015 0.000 2.033 262 L HN 0.210 nan 8.230 nan 0.000 0.708 263 Q N 1.155 120.813 119.800 -0.237 0.000 2.332 263 Q HA 0.195 4.534 4.340 -0.001 0.000 0.263 263 Q C 0.365 176.421 176.000 0.095 0.000 0.979 263 Q CA 0.043 55.799 55.803 -0.079 0.000 0.885 263 Q CB 0.532 29.192 28.738 -0.131 0.000 1.218 263 Q HN 0.139 nan 8.270 nan 0.000 0.405 264 N N 1.994 120.755 118.700 0.102 0.000 2.454 264 N HA 0.082 4.822 4.740 -0.001 0.000 0.254 264 N C -0.320 175.255 175.510 0.108 0.000 1.228 264 N CA 0.436 53.551 53.050 0.109 0.000 0.900 264 N CB 0.549 39.007 38.487 -0.048 0.000 1.089 264 N HN 0.277 nan 8.380 nan 0.000 0.449 265 R N 1.038 121.632 120.500 0.157 0.000 2.725 265 R HA 0.474 4.814 4.340 -0.001 0.000 0.277 265 R C -2.552 173.835 176.300 0.145 0.000 0.987 265 R CA -1.613 54.578 56.100 0.151 0.000 0.901 265 R CB 1.960 32.388 30.300 0.214 0.000 1.207 265 R HN 0.372 nan 8.270 nan 0.000 0.463 266 P HA 0.099 nan 4.420 nan 0.000 0.271 266 P C -1.280 176.076 177.300 0.093 0.000 1.218 266 P CA -0.199 62.998 63.100 0.162 0.000 0.780 266 P CB 0.592 32.434 31.700 0.237 0.000 0.901 267 N N -1.150 117.589 118.700 0.065 0.000 2.972 267 N HA 0.264 5.003 4.740 -0.001 0.000 0.262 267 N C 0.440 175.960 175.510 0.017 0.000 1.478 267 N CA -0.753 52.316 53.050 0.032 0.000 0.841 267 N CB -0.527 37.967 38.487 0.012 0.000 1.512 267 N HN 0.032 nan 8.380 nan 0.000 0.548 268 T N -0.761 113.796 114.554 0.004 0.000 2.833 268 T HA -0.089 4.261 4.350 -0.001 0.000 0.269 268 T C 0.309 175.003 174.700 -0.010 0.000 1.054 268 T CA 1.563 63.661 62.100 -0.003 0.000 1.135 268 T CB -0.449 68.415 68.868 -0.007 0.000 0.869 268 T HN 0.549 nan 8.240 nan 0.000 0.466 269 D N 1.223 121.613 120.400 -0.016 0.000 2.289 269 D HA 0.191 4.831 4.640 -0.001 0.000 0.207 269 D C 0.857 177.145 176.300 -0.019 0.000 0.966 269 D CA 0.404 54.390 54.000 -0.023 0.000 0.868 269 D CB 0.274 41.053 40.800 -0.035 0.000 0.943 269 D HN 0.387 nan 8.370 nan 0.000 0.514 270 A N 1.667 124.483 122.820 -0.007 0.000 3.266 270 A HA 0.354 4.673 4.320 -0.001 0.000 0.310 270 A C -2.173 175.421 177.584 0.018 0.000 1.066 270 A CA -0.914 51.126 52.037 0.004 0.000 0.839 270 A CB 0.997 20.009 19.000 0.019 0.000 1.192 270 A HN -0.170 nan 8.150 nan 0.000 0.496 271 P HA 0.008 nan 4.420 nan 0.000 0.241 271 P C 0.571 177.830 177.300 -0.068 0.000 1.191 271 P CA 0.981 64.078 63.100 -0.004 0.000 0.771 271 P CB 0.442 32.125 31.700 -0.030 0.000 0.929 272 E N -0.459 119.668 120.200 -0.122 0.000 2.526 272 E HA 0.115 4.465 4.350 -0.001 0.000 0.208 272 E C 0.158 176.727 176.600 -0.051 0.000 0.997 272 E CA 0.027 56.240 56.400 -0.311 0.000 0.961 272 E CB 0.614 30.131 29.700 -0.306 0.000 1.030 272 E HN 0.459 nan 8.360 nan 0.000 0.483 273 E N 0.997 121.260 120.200 0.104 0.000 2.250 273 E HA 0.416 4.766 4.350 -0.001 0.000 0.269 273 E C -0.245 176.525 176.600 0.282 0.000 1.018 273 E CA -0.430 56.079 56.400 0.182 0.000 0.873 273 E CB 1.391 31.179 29.700 0.147 0.000 1.134 273 E HN -0.136 nan 8.360 nan 0.000 0.403 274 R N 1.714 122.376 120.500 0.269 0.000 2.483 274 R HA 0.438 4.778 4.340 -0.001 0.000 0.303 274 R C -1.581 174.891 176.300 0.287 0.000 0.987 274 R CA -0.552 55.696 56.100 0.246 0.000 0.881 274 R CB 1.066 31.481 30.300 0.192 0.000 1.177 274 R HN 0.398 nan 8.270 nan 0.000 0.451 275 F N 2.138 122.141 119.950 0.088 0.000 2.604 275 F HA 0.427 4.954 4.527 -0.001 0.000 0.316 275 F C -1.737 174.035 175.800 -0.045 0.000 1.136 275 F CA -0.652 57.375 58.000 0.045 0.000 0.989 275 F CB 2.058 41.148 39.000 0.149 0.000 1.258 275 F HN 0.401 nan 8.300 nan 0.000 0.451 276 N N 4.808 122.852 118.700 -1.093 0.000 2.352 276 N HA 0.569 5.308 4.740 -0.001 0.000 0.291 276 N C -2.037 172.519 175.510 -1.590 0.000 1.040 276 N CA -0.598 51.785 53.050 -1.112 0.000 0.864 276 N CB 2.324 40.349 38.487 -0.770 0.000 1.440 276 N HN 0.569 nan 8.380 nan 0.000 0.483 277 L N 2.702 123.195 121.223 -1.216 0.000 2.282 277 L HA 0.646 4.986 4.340 -0.001 0.000 0.288 277 L C -1.653 174.711 176.870 -0.842 0.000 1.033 277 L CA -0.287 54.087 54.840 -0.776 0.000 0.807 277 L CB 0.137 42.081 42.059 -0.191 0.000 1.209 277 L HN 0.455 nan 8.230 nan 0.000 0.423 278 F N 6.530 126.278 119.950 -0.337 0.000 2.434 278 F HA 0.544 5.071 4.527 -0.001 0.000 0.367 278 F C -2.134 173.635 175.800 -0.052 0.000 1.093 278 F CA -1.989 55.899 58.000 -0.186 0.000 1.085 278 F CB 0.784 39.665 39.000 -0.199 0.000 1.322 278 F HN 0.421 nan 8.300 nan 0.000 0.452 279 P HA 0.332 nan 4.420 nan 0.000 0.276 279 P C -0.068 177.293 177.300 0.101 0.000 1.261 279 P CA -0.285 62.865 63.100 0.083 0.000 0.800 279 P CB 1.000 32.725 31.700 0.041 0.000 1.066 280 A N -1.309 121.551 122.820 0.066 0.000 2.791 280 A HA -0.087 4.232 4.320 -0.001 0.000 0.292 280 A C -0.102 177.509 177.584 0.045 0.000 1.487 280 A CA 0.723 52.788 52.037 0.047 0.000 0.760 280 A CB -2.414 16.614 19.000 0.046 0.000 1.031 280 A HN 0.249 nan 8.150 nan 0.000 0.503 281 V N -0.348 119.606 119.914 0.067 0.000 2.443 281 V HA 0.677 4.796 4.120 -0.001 0.000 0.293 281 V C 0.536 176.633 176.094 0.006 0.000 1.021 281 V CA -0.308 62.029 62.300 0.062 0.000 0.848 281 V CB 1.616 33.549 31.823 0.184 0.000 0.998 281 V HN 1.498 nan 8.190 nan 0.000 0.424 282 A N 4.159 126.959 122.820 -0.035 0.000 2.302 282 A HA 0.499 4.819 4.320 -0.001 0.000 0.295 282 A C 0.087 177.645 177.584 -0.042 0.000 1.235 282 A CA -0.183 51.815 52.037 -0.064 0.000 0.876 282 A CB -0.015 18.984 19.000 -0.002 0.000 1.133 282 A HN 0.861 nan 8.150 nan 0.000 0.533 283 C N 2.614 121.867 119.300 -0.079 0.000 2.435 283 C HA 0.362 4.821 4.460 -0.001 0.000 0.375 283 C C 1.374 176.329 174.990 -0.058 0.000 1.281 283 C CA -0.213 58.751 59.018 -0.090 0.000 1.963 283 C CB -0.187 27.496 27.740 -0.095 0.000 2.490 283 C HN 1.019 nan 8.230 nan 0.000 0.557 284 E N 0.787 120.969 120.200 -0.030 0.000 2.332 284 E HA 0.133 4.483 4.350 -0.001 0.000 0.202 284 E C 0.018 176.596 176.600 -0.038 0.000 0.877 284 E CA 0.333 56.723 56.400 -0.017 0.000 0.979 284 E CB 0.497 30.208 29.700 0.019 0.000 0.969 284 E HN 0.654 nan 8.360 nan 0.000 0.495 285 R N 0.723 121.199 120.500 -0.040 0.000 2.594 285 R HA 0.340 4.680 4.340 -0.001 0.000 0.265 285 R C -0.957 175.269 176.300 -0.122 0.000 1.070 285 R CA -0.644 55.403 56.100 -0.089 0.000 0.909 285 R CB 2.015 32.236 30.300 -0.132 0.000 1.243 285 R HN -0.107 nan 8.270 nan 0.000 0.455 286 V N -0.629 119.200 119.914 -0.142 0.000 2.481 286 V HA 0.537 4.657 4.120 -0.001 0.000 0.286 286 V C 0.183 176.146 176.094 -0.218 0.000 1.042 286 V CA -0.842 61.334 62.300 -0.205 0.000 0.928 286 V CB 1.649 33.332 31.823 -0.233 0.000 0.986 286 V HN 0.452 nan 8.190 nan 0.000 0.462 287 V N 5.703 125.453 119.914 -0.274 0.000 2.385 287 V HA 0.409 4.529 4.120 -0.001 0.000 0.269 287 V C 0.725 176.731 176.094 -0.148 0.000 1.043 287 V CA -0.441 61.716 62.300 -0.239 0.000 0.906 287 V CB 0.589 32.248 31.823 -0.274 0.000 0.995 287 V HN 0.925 nan 8.190 nan 0.000 0.467 288 R N 3.998 124.437 120.500 -0.101 0.000 2.490 288 R HA 0.221 4.561 4.340 -0.001 0.000 0.280 288 R C 0.509 176.822 176.300 0.021 0.000 1.077 288 R CA -0.470 55.642 56.100 0.021 0.000 1.065 288 R CB 0.484 30.778 30.300 -0.010 0.000 1.003 288 R HN 0.873 nan 8.270 nan 0.000 0.470 289 N N 1.762 120.503 118.700 0.068 0.000 2.326 289 N HA -0.026 4.713 4.740 -0.001 0.000 0.239 289 N C 0.507 176.017 175.510 -0.000 0.000 1.301 289 N CA 0.237 53.301 53.050 0.022 0.000 0.909 289 N CB 0.547 39.048 38.487 0.023 0.000 1.156 289 N HN 0.569 nan 8.380 nan 0.000 0.462 290 A N 0.464 123.277 122.820 -0.013 0.000 2.015 290 A HA -0.013 4.307 4.320 -0.001 0.000 0.219 290 A C 2.109 179.673 177.584 -0.033 0.000 1.163 290 A CA 0.811 52.835 52.037 -0.022 0.000 0.646 290 A CB -0.664 18.325 19.000 -0.018 0.000 0.806 290 A HN 0.646 nan 8.150 nan 0.000 0.448 291 L N -0.844 120.354 121.223 -0.043 0.000 2.591 291 L HA 0.059 4.398 4.340 -0.001 0.000 0.228 291 L C -0.017 176.783 176.870 -0.117 0.000 1.133 291 L CA -0.154 54.646 54.840 -0.066 0.000 0.880 291 L CB -0.290 41.730 42.059 -0.064 0.000 1.033 291 L HN 0.353 nan 8.230 nan 0.000 0.450 292 N N 0.265 118.894 118.700 -0.119 0.000 2.738 292 N HA -0.179 4.561 4.740 -0.001 0.000 0.249 292 N C 0.825 175.885 175.510 -0.750 0.000 1.047 292 N CA 1.069 53.981 53.050 -0.229 0.000 0.707 292 N CB -1.184 37.261 38.487 -0.071 0.000 0.937 292 N HN 0.534 nan 8.380 nan 0.000 0.545 293 S N -2.243 113.100 115.700 -0.594 0.000 2.733 293 S HA 0.331 4.801 4.470 -0.001 0.000 0.247 293 S C 0.210 174.575 174.600 -0.392 0.000 1.043 293 S CA -0.263 57.589 58.200 -0.579 0.000 1.066 293 S CB 1.592 64.646 63.200 -0.242 0.000 1.045 293 S HN 0.342 nan 8.310 nan 0.000 0.586 294 E N 0.213 120.312 120.200 -0.168 0.000 2.380 294 E HA 0.411 4.760 4.350 -0.001 0.000 0.281 294 E C -1.773 175.011 176.600 0.305 0.000 0.999 294 E CA -0.757 55.740 56.400 0.162 0.000 0.800 294 E CB 1.409 31.173 29.700 0.107 0.000 1.228 294 E HN 0.098 nan 8.360 nan 0.000 0.436 295 I N 3.062 123.777 120.570 0.241 0.000 2.396 295 I HA 0.157 4.327 4.170 -0.001 0.000 0.292 295 I C 0.872 176.928 176.117 -0.102 0.000 0.999 295 I CA 0.138 61.410 61.300 -0.046 0.000 1.310 295 I CB 1.328 39.084 38.000 -0.408 0.000 1.404 295 I HN 0.672 nan 8.210 nan 0.000 0.496 296 E N 2.979 123.102 120.200 -0.127 0.000 2.413 296 E HA 0.108 4.458 4.350 -0.001 0.000 0.203 296 E C 0.173 176.799 176.600 0.043 0.000 0.957 296 E CA 0.337 56.743 56.400 0.009 0.000 0.950 296 E CB 0.780 30.497 29.700 0.029 0.000 0.957 296 E HN 0.724 nan 8.360 nan 0.000 0.497 297 S N -0.306 115.329 115.700 -0.109 0.000 2.636 297 S HA 0.523 4.992 4.470 -0.001 0.000 0.266 297 S C -1.570 172.992 174.600 -0.063 0.000 1.147 297 S CA -1.036 57.202 58.200 0.063 0.000 0.815 297 S CB 1.446 64.759 63.200 0.187 0.000 1.119 297 S HN 0.011 nan 8.310 nan 0.000 0.470 298 L N 1.740 123.067 121.223 0.174 0.000 2.356 298 L HA 0.714 5.054 4.340 -0.001 0.000 0.277 298 L C -1.586 175.402 176.870 0.196 0.000 0.996 298 L CA -0.130 54.777 54.840 0.112 0.000 0.822 298 L CB 1.193 43.352 42.059 0.168 0.000 1.256 298 L HN 0.901 nan 8.230 nan 0.000 0.413 299 H N 5.626 124.654 119.070 -0.070 0.000 2.517 299 H HA 0.656 5.211 4.556 -0.001 0.000 0.317 299 H C -0.237 175.039 175.328 -0.088 0.000 1.080 299 H CA -0.220 55.791 56.048 -0.062 0.000 1.301 299 H CB 1.036 30.765 29.762 -0.055 0.000 1.425 299 H HN 0.698 nan 8.280 nan 0.000 0.471 300 I N -0.629 119.931 120.570 -0.017 0.000 3.002 300 I HA 0.480 4.650 4.170 -0.001 0.000 0.310 300 I C -0.736 175.434 176.117 0.088 0.000 1.087 300 I CA -0.939 60.333 61.300 -0.047 0.000 1.017 300 I CB 3.099 40.949 38.000 -0.250 0.000 1.226 300 I HN 0.523 nan 8.210 nan 0.000 0.443 301 H N 2.455 121.518 119.070 -0.012 0.000 2.970 301 H HA 0.216 4.771 4.556 -0.001 0.000 0.315 301 H C -1.456 173.915 175.328 0.071 0.000 0.992 301 H CA -0.648 55.415 56.048 0.025 0.000 1.363 301 H CB 1.442 31.216 29.762 0.021 0.000 1.532 301 H HN 0.766 nan 8.280 nan 0.000 0.514 302 D N 5.948 126.426 120.400 0.130 0.000 2.346 302 D HA -0.012 4.628 4.640 -0.001 0.000 0.260 302 D C 1.283 177.471 176.300 -0.187 0.000 1.252 302 D CA -0.076 53.948 54.000 0.039 0.000 0.895 302 D CB 0.941 41.879 40.800 0.230 0.000 1.097 302 D HN 0.698 nan 8.370 nan 0.000 0.489 303 L N 4.312 125.401 121.223 -0.224 0.000 2.191 303 L HA -0.176 4.163 4.340 -0.001 0.000 0.212 303 L C 2.084 178.901 176.870 -0.088 0.000 1.103 303 L CA 0.389 55.086 54.840 -0.237 0.000 0.769 303 L CB -0.126 41.879 42.059 -0.089 0.000 0.908 303 L HN 0.559 nan 8.230 nan 0.000 0.438 304 I N -0.424 120.135 120.570 -0.019 0.000 2.235 304 I HA -0.173 3.997 4.170 -0.001 0.000 0.241 304 I C 2.723 178.858 176.117 0.031 0.000 1.085 304 I CA 1.817 63.127 61.300 0.017 0.000 1.378 304 I CB -1.175 36.847 38.000 0.037 0.000 1.076 304 I HN 0.307 nan 8.210 nan 0.000 0.415 305 S N 0.113 115.846 115.700 0.056 0.000 2.470 305 S HA 0.142 4.612 4.470 -0.001 0.000 0.225 305 S C 1.831 176.474 174.600 0.072 0.000 1.006 305 S CA 0.727 58.971 58.200 0.074 0.000 0.934 305 S CB 0.187 63.459 63.200 0.120 0.000 0.778 305 S HN 0.587 nan 8.310 nan 0.000 0.517 306 G N 1.155 110.002 108.800 0.077 0.000 2.199 306 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.254 306 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.254 306 G C -0.373 174.653 174.900 0.210 0.000 0.982 306 G CA 0.201 45.401 45.100 0.168 0.000 0.632 306 G HN 0.568 nan 8.290 nan 0.000 0.529 307 D N 0.524 120.981 120.400 0.095 0.000 2.362 307 D HA 0.500 5.139 4.640 -0.001 0.000 0.242 307 D C 0.921 177.121 176.300 -0.166 0.000 1.132 307 D CA 0.121 54.048 54.000 -0.121 0.000 0.907 307 D CB 0.595 41.223 40.800 -0.287 0.000 1.195 307 D HN 0.364 nan 8.370 nan 0.000 0.429 308 R N 0.958 121.197 120.500 -0.435 0.000 2.460 308 R HA 0.575 4.914 4.340 -0.001 0.000 0.303 308 R C -0.735 175.136 176.300 -0.714 0.000 0.968 308 R CA -0.617 55.269 56.100 -0.357 0.000 0.889 308 R CB 1.086 31.229 30.300 -0.262 0.000 1.123 308 R HN 0.292 nan 8.270 nan 0.000 0.455 309 F N 0.045 119.903 119.950 -0.153 0.000 2.629 309 F HA 0.341 4.868 4.527 -0.001 0.000 0.316 309 F C -0.112 175.526 175.800 -0.271 0.000 1.081 309 F CA -0.934 56.958 58.000 -0.179 0.000 0.954 309 F CB 2.083 41.004 39.000 -0.132 0.000 1.337 309 F HN 0.293 nan 8.300 nan 0.000 0.474 310 E N 2.403 122.582 120.200 -0.035 0.000 2.145 310 E HA 0.455 4.805 4.350 -0.001 0.000 0.262 310 E C -1.111 175.542 176.600 0.089 0.000 0.883 310 E CA -0.497 55.864 56.400 -0.065 0.000 0.748 310 E CB 1.407 31.043 29.700 -0.107 0.000 1.140 310 E HN 0.244 nan 8.360 nan 0.000 0.417 311 I N 2.739 123.379 120.570 0.118 0.000 2.359 311 I HA 0.336 4.505 4.170 -0.001 0.000 0.294 311 I C 0.078 176.346 176.117 0.251 0.000 0.987 311 I CA -0.874 60.524 61.300 0.164 0.000 1.225 311 I CB 1.199 39.281 38.000 0.136 0.000 1.366 311 I HN 0.337 nan 8.210 nan 0.000 0.466 312 K N 4.179 124.717 120.400 0.229 0.000 2.159 312 K HA 0.804 5.124 4.320 -0.001 0.000 0.266 312 K C -0.908 175.799 176.600 0.178 0.000 0.975 312 K CA -0.286 56.146 56.287 0.241 0.000 0.865 312 K CB 1.763 34.357 32.500 0.157 0.000 1.087 312 K HN 0.846 nan 8.250 nan 0.000 0.446 313 A N 2.456 125.319 122.820 0.071 0.000 2.593 313 A HA 0.381 4.700 4.320 -0.001 0.000 0.290 313 A C -0.512 176.978 177.584 -0.156 0.000 1.126 313 A CA -0.657 51.275 52.037 -0.175 0.000 0.695 313 A CB 1.041 19.721 19.000 -0.534 0.000 1.290 313 A HN 0.765 nan 8.150 nan 0.000 0.414 314 D N -0.567 119.766 120.400 -0.113 0.000 2.213 314 D HA 0.122 4.762 4.640 -0.001 0.000 0.205 314 D C 0.206 176.402 176.300 -0.174 0.000 0.961 314 D CA 1.616 55.608 54.000 -0.013 0.000 0.853 314 D CB 0.321 41.173 40.800 0.087 0.000 0.967 314 D HN 0.217 nan 8.370 nan 0.000 0.496 315 V N 1.051 120.716 119.914 -0.416 0.000 2.577 315 V HA 0.265 4.384 4.120 -0.001 0.000 0.303 315 V C -1.251 174.562 176.094 -0.468 0.000 1.042 315 V CA -0.878 61.168 62.300 -0.424 0.000 0.872 315 V CB 1.624 33.102 31.823 -0.575 0.000 0.998 315 V HN -0.066 nan 8.190 nan 0.000 0.423 316 Y N 3.110 123.397 120.300 -0.021 0.000 2.328 316 Y HA 0.709 5.258 4.550 -0.001 0.000 0.337 316 Y C -0.056 175.818 175.900 -0.044 0.000 0.966 316 Y CA -0.941 57.141 58.100 -0.029 0.000 1.136 316 Y CB 2.052 40.497 38.460 -0.026 0.000 1.170 316 Y HN 0.372 nan 8.280 nan 0.000 0.470 317 V N 5.442 125.327 119.914 -0.048 0.000 2.487 317 V HA 0.419 4.538 4.120 -0.001 0.000 0.298 317 V C -0.488 175.485 176.094 -0.202 0.000 1.028 317 V CA -0.965 61.200 62.300 -0.225 0.000 0.860 317 V CB 1.840 33.307 31.823 -0.593 0.000 0.991 317 V HN 0.595 nan 8.190 nan 0.000 0.427 318 L N 4.920 126.019 121.223 -0.208 0.000 2.280 318 L HA 0.582 4.922 4.340 -0.001 0.000 0.287 318 L C 0.264 177.037 176.870 -0.162 0.000 1.023 318 L CA -0.221 54.519 54.840 -0.167 0.000 0.819 318 L CB 1.752 43.695 42.059 -0.194 0.000 1.212 318 L HN 0.823 nan 8.230 nan 0.000 0.420 319 T N -1.465 113.028 114.554 -0.102 0.000 3.624 319 T HA 0.399 4.749 4.350 -0.001 0.000 0.244 319 T C 0.531 175.240 174.700 0.015 0.000 1.063 319 T CA -0.185 61.894 62.100 -0.034 0.000 1.252 319 T CB 0.981 69.830 68.868 -0.031 0.000 1.021 319 T HN 0.543 nan 8.240 nan 0.000 0.590 320 A N 0.746 123.585 122.820 0.030 0.000 2.423 320 A HA 0.808 5.128 4.320 -0.001 0.000 0.246 320 A C 1.275 178.935 177.584 0.127 0.000 1.278 320 A CA -0.036 52.040 52.037 0.064 0.000 0.903 320 A CB -0.640 18.391 19.000 0.051 0.000 0.997 320 A HN 1.706 nan 8.150 nan 0.000 0.510 321 G N -2.367 106.509 108.800 0.126 0.000 2.663 321 G HA2 0.281 4.240 3.960 -0.001 0.000 0.686 321 G HA3 0.281 4.240 3.960 -0.001 0.000 0.686 321 G C 0.726 175.733 174.900 0.178 0.000 1.246 321 G CA -0.331 44.857 45.100 0.147 0.000 0.795 321 G HN 1.295 nan 8.290 nan 0.000 0.627 322 A N -0.107 122.810 122.820 0.161 0.000 1.972 322 A HA 0.201 4.520 4.320 -0.001 0.000 0.219 322 A C 2.623 180.304 177.584 0.161 0.000 1.169 322 A CA 3.157 55.290 52.037 0.160 0.000 0.635 322 A CB -0.305 18.760 19.000 0.108 0.000 0.810 322 A HN 1.594 nan 8.150 nan 0.000 0.446 323 V N -1.019 118.949 119.914 0.090 0.000 2.346 323 V HA -0.195 3.925 4.120 -0.001 0.000 0.244 323 V C 2.215 178.302 176.094 -0.011 0.000 1.037 323 V CA 2.116 64.427 62.300 0.018 0.000 1.029 323 V CB -1.058 30.668 31.823 -0.162 0.000 0.663 323 V HN 0.730 nan 8.190 nan 0.000 0.454 324 H N -0.043 119.099 119.070 0.120 0.000 2.462 324 H HA -0.048 4.507 4.556 -0.001 0.000 0.292 324 H C 2.313 177.628 175.328 -0.022 0.000 1.049 324 H CA 1.131 57.201 56.048 0.037 0.000 1.334 324 H CB 0.071 29.842 29.762 0.015 0.000 1.404 324 H HN 0.334 nan 8.280 nan 0.000 0.544 325 N N -0.122 118.638 118.700 0.101 0.000 2.069 325 N HA -0.124 4.615 4.740 -0.001 0.000 0.191 325 N C 1.798 177.273 175.510 -0.058 0.000 1.031 325 N CA 1.838 54.878 53.050 -0.017 0.000 0.852 325 N CB -0.559 37.890 38.487 -0.065 0.000 1.018 325 N HN 0.316 nan 8.380 nan 0.000 0.423 326 T N 0.955 115.544 114.554 0.059 0.000 2.821 326 T HA -0.143 4.207 4.350 -0.001 0.000 0.267 326 T C 1.847 176.365 174.700 -0.304 0.000 1.046 326 T CA 0.967 63.089 62.100 0.036 0.000 1.139 326 T CB -0.153 68.883 68.868 0.280 0.000 0.871 326 T HN 0.341 nan 8.240 nan 0.000 0.454 327 Q N 0.490 119.993 119.800 -0.495 0.000 2.030 327 Q HA -0.102 4.237 4.340 -0.001 0.000 0.204 327 Q C 2.339 178.052 176.000 -0.477 0.000 0.986 327 Q CA 1.356 56.572 55.803 -0.979 0.000 0.843 327 Q CB -0.338 28.155 28.738 -0.409 0.000 0.904 327 Q HN 0.494 nan 8.270 nan 0.000 0.420 328 L N 0.331 121.413 121.223 -0.236 0.000 2.083 328 L HA -0.202 4.137 4.340 -0.001 0.000 0.209 328 L C 2.227 179.003 176.870 -0.157 0.000 1.083 328 L CA 0.935 55.678 54.840 -0.162 0.000 0.752 328 L CB -0.105 41.882 42.059 -0.119 0.000 0.899 328 L HN 0.328 nan 8.230 nan 0.000 0.433 329 L N -1.541 119.570 121.223 -0.187 0.000 2.027 329 L HA -0.211 4.129 4.340 -0.001 0.000 0.206 329 L C 2.453 179.338 176.870 0.025 0.000 1.074 329 L CA 0.980 55.741 54.840 -0.132 0.000 0.745 329 L CB -0.588 41.296 42.059 -0.291 0.000 0.898 329 L HN 0.059 nan 8.230 nan 0.000 0.433 330 V N 0.143 120.006 119.914 -0.085 0.000 2.392 330 V HA -0.296 3.824 4.120 -0.001 0.000 0.249 330 V C 2.117 178.185 176.094 -0.043 0.000 1.059 330 V CA 2.079 64.357 62.300 -0.038 0.000 1.051 330 V CB -0.755 31.015 31.823 -0.088 0.000 0.658 330 V HN 0.502 nan 8.190 nan 0.000 0.455 331 N N -0.039 118.597 118.700 -0.106 0.000 2.459 331 N HA -0.091 4.648 4.740 -0.001 0.000 0.181 331 N C 1.486 176.966 175.510 -0.049 0.000 1.046 331 N CA 1.115 54.122 53.050 -0.070 0.000 0.904 331 N CB -0.018 38.416 38.487 -0.088 0.000 0.964 331 N HN 0.427 nan 8.380 nan 0.000 0.444 332 S N -1.511 114.178 115.700 -0.019 0.000 2.557 332 S HA 0.335 4.805 4.470 -0.001 0.000 0.223 332 S C 1.066 175.620 174.600 -0.076 0.000 0.969 332 S CA 0.185 58.373 58.200 -0.020 0.000 0.927 332 S CB 0.614 63.842 63.200 0.047 0.000 0.806 332 S HN 0.509 nan 8.310 nan 0.000 0.489 333 G N 1.169 109.934 108.800 -0.058 0.000 2.157 333 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.239 333 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.239 333 G C -0.088 174.697 174.900 -0.192 0.000 0.982 333 G CA -0.544 44.475 45.100 -0.135 0.000 0.650 333 G HN 0.431 nan 8.290 nan 0.000 0.527 334 F N 0.917 120.825 119.950 -0.071 0.000 2.375 334 F HA 0.534 5.061 4.527 -0.001 0.000 0.333 334 F C 1.601 177.402 175.800 0.001 0.000 1.104 334 F CA 0.909 58.880 58.000 -0.047 0.000 1.149 334 F CB 1.074 40.015 39.000 -0.099 0.000 1.190 334 F HN 0.740 nan 8.300 nan 0.000 0.533 335 G N 2.048 110.983 108.800 0.225 0.000 2.574 335 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.282 335 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.282 335 G C -0.775 174.197 174.900 0.120 0.000 1.257 335 G CA 0.005 45.206 45.100 0.169 0.000 0.956 335 G HN 0.836 nan 8.290 nan 0.000 0.560 336 Q N -1.018 118.858 119.800 0.126 0.000 2.337 336 Q HA 0.640 4.980 4.340 -0.001 0.000 0.270 336 Q C -0.831 175.248 176.000 0.131 0.000 1.043 336 Q CA -1.025 54.834 55.803 0.092 0.000 0.794 336 Q CB 1.700 30.470 28.738 0.054 0.000 1.281 336 Q HN 0.875 nan 8.270 nan 0.000 0.446 337 L N 3.656 124.945 121.223 0.111 0.000 2.371 337 L HA 0.774 5.114 4.340 -0.001 0.000 0.272 337 L C 0.230 177.173 176.870 0.121 0.000 1.124 337 L CA 1.752 56.684 54.840 0.154 0.000 0.816 337 L CB 1.021 43.146 42.059 0.110 0.000 1.129 337 L HN 0.842 nan 8.230 nan 0.000 0.448 338 G N 3.592 112.508 108.800 0.193 0.000 2.655 338 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.680 338 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.680 338 G C -0.680 174.077 174.900 -0.239 0.000 1.302 338 G CA -0.269 44.884 45.100 0.088 0.000 0.872 338 G HN 0.957 nan 8.290 nan 0.000 0.540 339 R N 0.727 120.855 120.500 -0.620 0.000 2.522 339 R HA 0.369 4.709 4.340 -0.001 0.000 0.284 339 R C -1.974 173.878 176.300 -0.747 0.000 1.032 339 R CA -0.619 54.678 56.100 -1.339 0.000 1.049 339 R CB -0.015 29.788 30.300 -0.827 0.000 0.956 339 R HN 0.315 nan 8.270 nan 0.000 0.422 340 P HA -0.099 nan 4.420 nan 0.000 0.260 340 P C -1.307 175.833 177.300 -0.267 0.000 1.172 340 P CA 0.615 63.471 63.100 -0.407 0.000 0.760 340 P CB 0.313 31.793 31.700 -0.366 0.000 0.773 341 N N 4.248 122.848 118.700 -0.167 0.000 2.576 341 N HA 0.176 4.916 4.740 -0.001 0.000 0.269 341 N C -2.089 173.377 175.510 -0.073 0.000 1.058 341 N CA -1.951 51.030 53.050 -0.115 0.000 0.860 341 N CB 1.481 39.908 38.487 -0.100 0.000 1.249 341 N HN 0.148 nan 8.380 nan 0.000 0.525 342 P HA 0.061 nan 4.420 nan 0.000 0.259 342 P C 0.243 177.525 177.300 -0.029 0.000 1.307 342 P CA 0.344 63.419 63.100 -0.040 0.000 0.768 342 P CB 0.138 31.814 31.700 -0.040 0.000 1.199 343 A N -0.593 122.208 122.820 -0.032 0.000 2.545 343 A HA 0.214 4.534 4.320 -0.001 0.000 0.263 343 A C 0.875 178.447 177.584 -0.020 0.000 1.202 343 A CA -0.174 51.849 52.037 -0.023 0.000 0.959 343 A CB -0.019 18.966 19.000 -0.025 0.000 1.124 343 A HN 0.053 nan 8.150 nan 0.000 0.543 344 N N 1.672 120.359 118.700 -0.022 0.000 2.646 344 N HA 0.180 4.920 4.740 -0.001 0.000 0.303 344 N C -3.136 172.369 175.510 -0.010 0.000 1.921 344 N CA -0.788 52.252 53.050 -0.017 0.000 0.872 344 N CB 1.405 39.879 38.487 -0.022 0.000 1.327 344 N HN 0.215 nan 8.380 nan 0.000 0.492 345 P HA 0.069 nan 4.420 nan 0.000 0.261 345 P C -2.418 174.891 177.300 0.016 0.000 1.183 345 P CA -0.357 62.748 63.100 0.008 0.000 0.761 345 P CB 0.048 31.754 31.700 0.010 0.000 0.785 346 P HA 0.142 nan 4.420 nan 0.000 0.274 346 P C 0.907 178.226 177.300 0.033 0.000 1.246 346 P CA -0.221 62.899 63.100 0.033 0.000 0.795 346 P CB 1.183 32.917 31.700 0.057 0.000 1.006 347 E N -0.261 119.951 120.200 0.020 0.000 2.107 347 E HA -0.027 4.323 4.350 -0.001 0.000 0.191 347 E C 0.074 176.698 176.600 0.040 0.000 0.982 347 E CA 0.751 57.159 56.400 0.014 0.000 0.809 347 E CB 0.084 29.777 29.700 -0.013 0.000 0.756 347 E HN 0.364 nan 8.360 nan 0.000 0.459 348 L N 0.248 121.508 121.223 0.061 0.000 2.388 348 L HA 0.303 4.643 4.340 -0.001 0.000 0.264 348 L C -0.169 176.822 176.870 0.202 0.000 0.998 348 L CA -0.969 53.951 54.840 0.134 0.000 0.817 348 L CB 2.037 44.149 42.059 0.089 0.000 1.338 348 L HN 0.012 nan 8.230 nan 0.000 0.414 349 L N 2.316 123.690 121.223 0.252 0.000 3.895 349 L HA -0.177 4.162 4.340 -0.001 0.000 0.511 349 L C -1.528 175.455 176.870 0.190 0.000 1.222 349 L CA -0.435 54.550 54.840 0.242 0.000 0.739 349 L CB -0.837 41.388 42.059 0.277 0.000 1.425 349 L HN 0.588 nan 8.230 nan 0.000 0.817 350 P HA -0.068 nan 4.420 nan 0.000 0.234 350 P C 1.217 178.615 177.300 0.164 0.000 1.167 350 P CA 0.759 63.939 63.100 0.134 0.000 0.763 350 P CB 0.398 32.159 31.700 0.101 0.000 0.835 351 S N -0.523 115.296 115.700 0.198 0.000 2.558 351 S HA 0.060 4.529 4.470 -0.001 0.000 0.217 351 S C 0.820 175.581 174.600 0.268 0.000 0.975 351 S CA -0.382 57.983 58.200 0.274 0.000 0.912 351 S CB -0.643 62.717 63.200 0.267 0.000 0.776 351 S HN 0.084 nan 8.310 nan 0.000 0.526 352 L N 2.360 123.717 121.223 0.223 0.000 2.559 352 L HA 0.372 4.711 4.340 -0.001 0.000 0.274 352 L C 1.180 178.190 176.870 0.234 0.000 1.205 352 L CA 1.201 56.173 54.840 0.219 0.000 0.907 352 L CB -0.409 41.764 42.059 0.189 0.000 1.153 352 L HN 0.335 nan 8.230 nan 0.000 0.490 353 G N 2.363 111.312 108.800 0.249 0.000 2.179 353 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.260 353 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.260 353 G C 0.473 175.499 174.900 0.210 0.000 0.977 353 G CA 0.345 45.592 45.100 0.245 0.000 0.641 353 G HN 0.829 nan 8.290 nan 0.000 0.533 354 S N -1.415 114.411 115.700 0.211 0.000 2.722 354 S HA 0.644 5.114 4.470 -0.001 0.000 0.292 354 S C 0.409 175.150 174.600 0.235 0.000 1.135 354 S CA 0.152 58.412 58.200 0.101 0.000 1.003 354 S CB 0.824 63.977 63.200 -0.080 0.000 1.067 354 S HN 0.923 nan 8.310 nan 0.000 0.546 355 Y N -1.067 119.303 120.300 0.118 0.000 4.272 355 Y HA -0.201 4.349 4.550 -0.001 0.000 0.232 355 Y C 0.498 176.484 175.900 0.143 0.000 1.149 355 Y CA 0.192 58.359 58.100 0.113 0.000 1.961 355 Y CB -2.141 36.382 38.460 0.104 0.000 1.611 355 Y HN 0.608 nan 8.280 nan 0.000 0.682 356 I N -0.119 120.608 120.570 0.261 0.000 2.696 356 I HA 0.503 4.672 4.170 -0.001 0.000 0.284 356 I C 0.643 176.942 176.117 0.302 0.000 1.129 356 I CA 0.386 61.847 61.300 0.267 0.000 1.410 356 I CB 1.352 39.513 38.000 0.267 0.000 1.399 356 I HN 0.191 nan 8.210 nan 0.000 0.579 357 T N 1.799 116.495 114.554 0.237 0.000 2.861 357 T HA 0.676 5.026 4.350 -0.001 0.000 0.287 357 T C -0.672 174.070 174.700 0.071 0.000 1.003 357 T CA -0.673 61.550 62.100 0.204 0.000 0.977 357 T CB 2.036 70.974 68.868 0.117 0.000 0.996 357 T HN 0.830 nan 8.240 nan 0.000 0.448 358 E N 1.380 121.589 120.200 0.015 0.000 2.356 358 E HA 0.373 4.722 4.350 -0.001 0.000 0.275 358 E C -1.130 175.558 176.600 0.147 0.000 0.904 358 E CA -0.571 55.784 56.400 -0.074 0.000 0.757 358 E CB 2.079 31.526 29.700 -0.422 0.000 1.232 358 E HN 0.715 nan 8.360 nan 0.000 0.442 359 Q N 1.081 120.980 119.800 0.166 0.000 2.293 359 Q HA 0.470 4.809 4.340 -0.001 0.000 0.251 359 Q C -0.461 175.703 176.000 0.274 0.000 0.930 359 Q CA -0.506 55.442 55.803 0.242 0.000 0.893 359 Q CB 1.357 30.268 28.738 0.288 0.000 1.215 359 Q HN 0.475 nan 8.270 nan 0.000 0.425 360 S N 1.569 117.362 115.700 0.155 0.000 2.564 360 S HA 0.300 4.770 4.470 -0.001 0.000 0.278 360 S C -0.679 173.933 174.600 0.020 0.000 1.333 360 S CA -0.433 57.733 58.200 -0.057 0.000 1.048 360 S CB 0.364 63.433 63.200 -0.219 0.000 0.900 360 S HN 0.372 nan 8.310 nan 0.000 0.505 361 L N 4.499 125.694 121.223 -0.047 0.000 2.409 361 L HA 0.717 5.057 4.340 -0.001 0.000 0.272 361 L C -0.871 175.817 176.870 -0.302 0.000 0.980 361 L CA -0.665 54.041 54.840 -0.223 0.000 0.826 361 L CB 1.680 43.562 42.059 -0.296 0.000 1.268 361 L HN 0.472 nan 8.230 nan 0.000 0.407 362 V N 2.052 121.718 119.914 -0.414 0.000 2.628 362 V HA 0.754 4.873 4.120 -0.001 0.000 0.306 362 V C -1.083 174.838 176.094 -0.288 0.000 1.045 362 V CA -0.642 61.337 62.300 -0.535 0.000 0.905 362 V CB 1.643 32.981 31.823 -0.809 0.000 0.997 362 V HN 0.786 nan 8.190 nan 0.000 0.436 363 F N 5.186 124.892 119.950 -0.407 0.000 2.591 363 F HA 0.886 5.412 4.527 -0.001 0.000 0.309 363 F C -0.325 175.354 175.800 -0.202 0.000 1.098 363 F CA -0.347 57.515 58.000 -0.230 0.000 0.937 363 F CB 1.501 40.398 39.000 -0.171 0.000 1.250 363 F HN 1.218 nan 8.300 nan 0.000 0.447 364 C N 3.030 121.760 119.300 -0.951 0.000 3.336 364 C HA 0.826 5.286 4.460 -0.001 0.000 0.339 364 C C -1.765 172.787 174.990 -0.731 0.000 1.468 364 C CA -0.658 57.776 59.018 -0.973 0.000 1.287 364 C CB 1.769 29.178 27.740 -0.551 0.000 1.682 364 C HN 0.924 nan 8.230 nan 0.000 0.451 365 Q N 0.587 120.176 119.800 -0.351 0.000 2.397 365 Q HA 0.712 5.052 4.340 -0.001 0.000 0.275 365 Q C -0.685 175.389 176.000 0.123 0.000 1.090 365 Q CA -0.208 55.603 55.803 0.013 0.000 0.809 365 Q CB 2.729 31.470 28.738 0.006 0.000 1.362 365 Q HN 0.945 nan 8.270 nan 0.000 0.431 366 T N -2.450 112.253 114.554 0.249 0.000 2.932 366 T HA 0.692 5.042 4.350 -0.001 0.000 0.289 366 T C -0.399 174.380 174.700 0.132 0.000 1.039 366 T CA -0.701 61.500 62.100 0.168 0.000 1.024 366 T CB 1.255 70.233 68.868 0.183 0.000 1.090 366 T HN 0.257 nan 8.240 nan 0.000 0.496 367 V N 2.868 122.822 119.914 0.066 0.000 2.370 367 V HA 0.382 4.502 4.120 -0.001 0.000 0.283 367 V C 0.365 176.482 176.094 0.037 0.000 1.023 367 V CA -0.912 61.417 62.300 0.048 0.000 0.857 367 V CB 1.013 32.852 31.823 0.027 0.000 0.985 367 V HN 1.009 nan 8.190 nan 0.000 0.443 368 M N 4.778 124.408 119.600 0.050 0.000 2.245 368 M HA 0.092 4.571 4.480 -0.001 0.000 0.335 368 M C 0.892 177.205 176.300 0.022 0.000 1.155 368 M CA 0.704 56.032 55.300 0.047 0.000 1.055 368 M CB 0.619 33.245 32.600 0.044 0.000 1.670 368 M HN 0.922 nan 8.290 nan 0.000 0.447 369 S N 2.403 118.112 115.700 0.016 0.000 2.568 369 S HA 0.065 4.535 4.470 -0.001 0.000 0.282 369 S C 1.029 175.635 174.600 0.009 0.000 1.338 369 S CA -0.139 58.060 58.200 -0.001 0.000 1.045 369 S CB 0.480 63.674 63.200 -0.010 0.000 0.873 369 S HN 0.802 nan 8.310 nan 0.000 0.516 370 T N 1.944 116.499 114.554 0.002 0.000 2.699 370 T HA -0.158 4.192 4.350 -0.001 0.000 0.268 370 T C 1.635 176.344 174.700 0.016 0.000 1.036 370 T CA 1.991 64.097 62.100 0.009 0.000 1.147 370 T CB -0.496 68.374 68.868 0.003 0.000 0.862 370 T HN 0.775 nan 8.240 nan 0.000 0.446 371 E N 0.461 120.667 120.200 0.010 0.000 2.058 371 E HA -0.077 4.272 4.350 -0.001 0.000 0.194 371 E C 2.272 178.891 176.600 0.032 0.000 0.997 371 E CA 0.909 57.318 56.400 0.015 0.000 0.801 371 E CB -0.258 29.444 29.700 0.003 0.000 0.746 371 E HN 0.424 nan 8.360 nan 0.000 0.450 372 L N 0.720 121.965 121.223 0.037 0.000 2.056 372 L HA -0.187 4.152 4.340 -0.001 0.000 0.207 372 L C 2.406 179.320 176.870 0.074 0.000 1.078 372 L CA 0.472 55.350 54.840 0.062 0.000 0.749 372 L CB -0.240 41.857 42.059 0.064 0.000 0.901 372 L HN 0.204 nan 8.230 nan 0.000 0.433 373 I N -0.013 120.587 120.570 0.051 0.000 2.179 373 I HA -0.285 3.884 4.170 -0.001 0.000 0.242 373 I C 2.126 178.278 176.117 0.058 0.000 1.088 373 I CA 1.524 62.850 61.300 0.043 0.000 1.357 373 I CB -1.133 36.883 38.000 0.027 0.000 1.051 373 I HN 0.287 nan 8.210 nan 0.000 0.409 374 D N 0.568 121.000 120.400 0.054 0.000 2.178 374 D HA -0.128 4.511 4.640 -0.001 0.000 0.201 374 D C 2.338 178.690 176.300 0.086 0.000 0.980 374 D CA 1.562 55.598 54.000 0.060 0.000 0.842 374 D CB -0.084 40.741 40.800 0.043 0.000 0.948 374 D HN 0.384 nan 8.370 nan 0.000 0.472 375 S N -0.114 115.648 115.700 0.104 0.000 2.453 375 S HA -0.075 4.394 4.470 -0.001 0.000 0.231 375 S C 2.132 176.890 174.600 0.263 0.000 1.005 375 S CA 0.428 58.721 58.200 0.154 0.000 0.949 375 S CB -0.379 62.903 63.200 0.135 0.000 0.774 375 S HN 0.063 nan 8.310 nan 0.000 0.510 376 V N 2.998 123.042 119.914 0.217 0.000 2.380 376 V HA -0.184 3.936 4.120 -0.001 0.000 0.251 376 V C 2.205 178.437 176.094 0.229 0.000 1.063 376 V CA 2.182 64.636 62.300 0.257 0.000 1.055 376 V CB -0.845 31.039 31.823 0.102 0.000 0.657 376 V HN 0.818 nan 8.190 nan 0.000 0.455 377 K N 0.274 120.766 120.400 0.154 0.000 2.440 377 K HA 0.187 4.506 4.320 -0.001 0.000 0.206 377 K C 1.622 178.284 176.600 0.102 0.000 1.025 377 K CA 0.671 57.030 56.287 0.120 0.000 1.135 377 K CB 0.195 32.751 32.500 0.093 0.000 0.856 377 K HN 0.427 nan 8.250 nan 0.000 0.502 378 S N 1.026 116.800 115.700 0.123 0.000 2.400 378 S HA -0.184 4.285 4.470 -0.001 0.000 0.232 378 S C 1.032 175.651 174.600 0.031 0.000 1.025 378 S CA 1.427 59.666 58.200 0.064 0.000 0.993 378 S CB -0.275 62.941 63.200 0.027 0.000 0.808 378 S HN 0.305 nan 8.310 nan 0.000 0.478 379 D N 0.638 121.065 120.400 0.044 0.000 2.339 379 D HA 0.237 4.877 4.640 -0.001 0.000 0.217 379 D C 0.208 176.549 176.300 0.068 0.000 1.050 379 D CA 0.269 54.282 54.000 0.021 0.000 0.856 379 D CB -0.023 40.765 40.800 -0.019 0.000 0.922 379 D HN 0.364 nan 8.370 nan 0.000 0.518 380 M N 0.384 120.027 119.600 0.071 0.000 2.250 380 M HA 0.211 4.691 4.480 -0.001 0.000 0.344 380 M C 0.282 176.615 176.300 0.055 0.000 1.150 380 M CA 0.108 55.460 55.300 0.087 0.000 1.147 380 M CB 0.950 33.594 32.600 0.075 0.000 1.498 380 M HN -0.323 nan 8.290 nan 0.000 0.461 381 T N 4.253 118.835 114.554 0.045 0.000 2.743 381 T HA 0.663 5.013 4.350 -0.001 0.000 0.292 381 T C 0.068 174.753 174.700 -0.025 0.000 0.972 381 T CA -0.344 61.761 62.100 0.009 0.000 0.967 381 T CB 0.495 69.362 68.868 -0.001 0.000 0.926 381 T HN 0.424 nan 8.240 nan 0.000 0.459 382 I N 3.995 124.549 120.570 -0.026 0.000 2.406 382 I HA 0.568 4.738 4.170 -0.001 0.000 0.290 382 I C 0.199 176.286 176.117 -0.049 0.000 0.999 382 I CA -0.787 60.475 61.300 -0.063 0.000 1.124 382 I CB 1.490 39.495 38.000 0.008 0.000 1.289 382 I HN 0.350 nan 8.210 nan 0.000 0.441 383 R N 3.628 124.065 120.500 -0.104 0.000 2.668 383 R HA 0.722 5.061 4.340 -0.001 0.000 0.272 383 R C -0.381 175.922 176.300 0.004 0.000 1.019 383 R CA -0.729 55.352 56.100 -0.031 0.000 0.894 383 R CB 2.358 32.637 30.300 -0.035 0.000 1.228 383 R HN 0.885 nan 8.270 nan 0.000 0.460 384 G N 0.631 109.488 108.800 0.095 0.000 2.582 384 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.222 384 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.222 384 G C -0.940 174.122 174.900 0.270 0.000 1.311 384 G CA -0.470 44.739 45.100 0.182 0.000 0.915 384 G HN 0.709 nan 8.290 nan 0.000 0.528 385 T N -0.538 114.153 114.554 0.228 0.000 2.841 385 T HA 0.702 5.051 4.350 -0.001 0.000 0.283 385 T C -2.893 171.703 174.700 -0.174 0.000 1.000 385 T CA -1.470 60.676 62.100 0.078 0.000 0.977 385 T CB 2.305 71.183 68.868 0.018 0.000 0.979 385 T HN 0.529 nan 8.240 nan 0.000 0.446 386 P HA 0.204 nan 4.420 nan 0.000 0.263 386 P C 1.233 178.290 177.300 -0.405 0.000 1.168 386 P CA 1.450 64.015 63.100 -0.891 0.000 0.759 386 P CB 0.040 31.415 31.700 -0.542 0.000 0.782 387 G N 1.454 110.051 108.800 -0.338 0.000 2.213 387 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.236 387 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.236 387 G C 0.130 174.993 174.900 -0.062 0.000 0.991 387 G CA -0.282 44.732 45.100 -0.143 0.000 0.629 387 G HN 0.544 nan 8.290 nan 0.000 0.517 388 E N -0.481 119.699 120.200 -0.034 0.000 2.349 388 E HA 0.559 4.908 4.350 -0.001 0.000 0.262 388 E C 1.396 178.033 176.600 0.062 0.000 1.088 388 E CA -0.606 55.811 56.400 0.028 0.000 0.899 388 E CB 0.969 30.707 29.700 0.063 0.000 1.044 388 E HN 0.143 nan 8.360 nan 0.000 0.420 389 L N 1.272 122.524 121.223 0.048 0.000 2.362 389 L HA -0.129 4.210 4.340 -0.001 0.000 0.219 389 L C 2.243 179.152 176.870 0.065 0.000 1.134 389 L CA 1.256 56.127 54.840 0.050 0.000 0.807 389 L CB -0.148 41.929 42.059 0.030 0.000 0.927 389 L HN 0.677 nan 8.230 nan 0.000 0.447 390 T N -4.339 110.261 114.554 0.076 0.000 3.100 390 T HA -0.109 4.241 4.350 -0.001 0.000 0.253 390 T C 0.594 175.359 174.700 0.108 0.000 1.118 390 T CA -0.266 61.877 62.100 0.071 0.000 1.058 390 T CB -0.340 68.563 68.868 0.058 0.000 0.953 390 T HN 0.089 nan 8.240 nan 0.000 0.515 391 Y N 2.746 123.048 120.300 0.003 0.000 2.620 391 Y HA 0.431 4.981 4.550 -0.001 0.000 0.330 391 Y C 0.171 176.075 175.900 0.007 0.000 1.186 391 Y CA -0.551 57.552 58.100 0.005 0.000 1.467 391 Y CB 0.378 38.840 38.460 0.003 0.000 1.262 391 Y HN 0.209 nan 8.280 nan 0.000 0.550 392 S N 5.110 120.519 115.700 -0.486 0.000 2.575 392 S HA 0.725 5.194 4.470 -0.001 0.000 0.278 392 S C -2.001 172.309 174.600 -0.483 0.000 1.139 392 S CA -0.699 57.277 58.200 -0.373 0.000 0.954 392 S CB 0.794 63.896 63.200 -0.164 0.000 1.054 392 S HN 0.473 nan 8.310 nan 0.000 0.483 393 V N 4.608 124.317 119.914 -0.340 0.000 2.443 393 V HA 0.711 4.831 4.120 -0.001 0.000 0.293 393 V C 0.035 176.100 176.094 -0.048 0.000 1.021 393 V CA -0.481 61.700 62.300 -0.198 0.000 0.848 393 V CB 1.401 33.139 31.823 -0.141 0.000 0.998 393 V HN 1.020 nan 8.190 nan 0.000 0.424 394 T N 1.766 116.316 114.554 -0.006 0.000 2.906 394 T HA 0.879 5.228 4.350 -0.001 0.000 0.295 394 T C -1.008 173.770 174.700 0.130 0.000 1.075 394 T CA -0.748 61.370 62.100 0.031 0.000 1.005 394 T CB 2.341 71.182 68.868 -0.045 0.000 1.136 394 T HN 0.787 nan 8.240 nan 0.000 0.498 395 Y N -1.685 118.609 120.300 -0.011 0.000 2.615 395 Y HA 0.783 5.333 4.550 -0.001 0.000 0.341 395 Y C -0.851 175.044 175.900 -0.009 0.000 1.089 395 Y CA -1.311 56.784 58.100 -0.007 0.000 1.049 395 Y CB 0.918 39.381 38.460 0.005 0.000 1.296 395 Y HN 0.651 nan 8.280 nan 0.000 0.470 396 T N 4.055 118.628 114.554 0.032 0.000 2.743 396 T HA 0.403 4.752 4.350 -0.001 0.000 0.292 396 T C -2.819 171.913 174.700 0.054 0.000 0.972 396 T CA -1.383 60.680 62.100 -0.061 0.000 0.967 396 T CB 0.836 69.696 68.868 -0.013 0.000 0.926 396 T HN 0.365 nan 8.240 nan 0.000 0.459 397 P HA 0.230 nan 4.420 nan 0.000 0.267 397 P C 1.033 178.386 177.300 0.088 0.000 1.209 397 P CA 0.530 63.699 63.100 0.115 0.000 0.763 397 P CB 0.335 32.044 31.700 0.015 0.000 0.816 398 G N 2.724 111.587 108.800 0.105 0.000 2.187 398 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.261 398 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.261 398 G C 0.512 175.425 174.900 0.022 0.000 1.000 398 G CA 0.013 45.142 45.100 0.049 0.000 0.718 398 G HN 0.846 nan 8.290 nan 0.000 0.519 399 A N 0.276 123.111 122.820 0.025 0.000 2.540 399 A HA 0.569 4.889 4.320 -0.001 0.000 0.239 399 A C 1.871 179.444 177.584 -0.019 0.000 1.061 399 A CA 1.247 53.286 52.037 0.002 0.000 0.758 399 A CB 0.169 19.173 19.000 0.007 0.000 0.991 399 A HN 1.777 nan 8.150 nan 0.000 0.502 400 S N 1.460 117.146 115.700 -0.023 0.000 2.419 400 S HA -0.188 4.282 4.470 -0.001 0.000 0.235 400 S C 1.440 176.010 174.600 -0.050 0.000 1.019 400 S CA 1.792 59.972 58.200 -0.034 0.000 0.982 400 S CB -0.932 62.251 63.200 -0.027 0.000 0.789 400 S HN 1.244 nan 8.310 nan 0.000 0.490 401 T N -0.984 113.541 114.554 -0.049 0.000 3.100 401 T HA 0.197 4.547 4.350 -0.001 0.000 0.253 401 T C 0.417 175.061 174.700 -0.093 0.000 1.118 401 T CA -0.432 61.630 62.100 -0.064 0.000 1.058 401 T CB -0.547 68.292 68.868 -0.048 0.000 0.953 401 T HN 0.196 nan 8.240 nan 0.000 0.515 402 N N 2.394 121.038 118.700 -0.094 0.000 2.492 402 N HA 0.165 4.905 4.740 -0.001 0.000 0.262 402 N C 0.917 176.273 175.510 -0.257 0.000 1.202 402 N CA -0.202 52.761 53.050 -0.146 0.000 0.926 402 N CB 0.886 39.309 38.487 -0.108 0.000 1.078 402 N HN 0.132 nan 8.380 nan 0.000 0.454 403 K N 1.073 121.216 120.400 -0.428 0.000 2.379 403 K HA 0.074 4.394 4.320 -0.001 0.000 0.194 403 K C -0.073 175.946 176.600 -0.968 0.000 1.031 403 K CA 0.625 56.504 56.287 -0.680 0.000 1.037 403 K CB 0.165 32.146 32.500 -0.865 0.000 0.824 403 K HN 0.566 nan 8.250 nan 0.000 0.516 404 H N 0.126 118.867 119.070 -0.549 0.000 2.747 404 H HA 0.324 4.879 4.556 -0.001 0.000 0.371 404 H C -2.390 172.597 175.328 -0.567 0.000 1.161 404 H CA -2.381 53.171 56.048 -0.827 0.000 1.167 404 H CB 1.566 30.377 29.762 -1.585 0.000 1.732 404 H HN -0.161 nan 8.280 nan 0.000 0.544 405 P HA -0.006 nan 4.420 nan 0.000 0.272 405 P C 0.336 177.438 177.300 -0.329 0.000 1.240 405 P CA -0.186 62.721 63.100 -0.322 0.000 0.791 405 P CB 1.288 32.748 31.700 -0.401 0.000 0.978 406 D N 0.333 120.668 120.400 -0.109 0.000 2.149 406 D HA -0.145 4.494 4.640 -0.001 0.000 0.198 406 D C 1.889 178.199 176.300 0.016 0.000 0.990 406 D CA 1.291 55.290 54.000 -0.001 0.000 0.839 406 D CB -0.496 40.410 40.800 0.177 0.000 0.948 406 D HN 0.617 nan 8.370 nan 0.000 0.460 407 W N 0.019 121.382 121.300 0.105 0.000 2.374 407 W HA -0.127 4.533 4.660 -0.001 0.000 0.288 407 W C 1.864 178.456 176.519 0.122 0.000 1.218 407 W CA 0.118 57.525 57.345 0.104 0.000 1.245 407 W CB -1.228 28.289 29.460 0.096 0.000 1.126 407 W HN 0.069 nan 8.180 nan 0.000 0.545 408 W N 3.425 124.311 121.300 -0.689 0.000 2.407 408 W HA -0.100 4.559 4.660 -0.001 0.000 0.305 408 W C 1.769 178.032 176.519 -0.426 0.000 1.196 408 W CA 1.405 58.310 57.345 -0.733 0.000 1.311 408 W CB -1.034 27.714 29.460 -1.187 0.000 1.135 408 W HN -0.149 nan 8.180 nan 0.000 0.514 409 N N 1.083 119.715 118.700 -0.113 0.000 2.244 409 N HA -0.178 4.562 4.740 -0.001 0.000 0.183 409 N C 1.500 176.726 175.510 -0.473 0.000 1.016 409 N CA 1.749 54.550 53.050 -0.416 0.000 0.866 409 N CB -0.510 37.377 38.487 -1.001 0.000 0.980 409 N HN 0.251 nan 8.380 nan 0.000 0.430 410 E N 1.463 121.528 120.200 -0.225 0.000 2.072 410 E HA -0.069 4.281 4.350 -0.001 0.000 0.191 410 E C 1.570 178.230 176.600 0.100 0.000 0.985 410 E CA 1.317 57.770 56.400 0.088 0.000 0.801 410 E CB 0.095 29.926 29.700 0.218 0.000 0.750 410 E HN 0.243 nan 8.360 nan 0.000 0.452 411 K N -0.457 119.993 120.400 0.083 0.000 2.097 411 K HA -0.064 4.256 4.320 -0.001 0.000 0.205 411 K C 2.107 178.726 176.600 0.032 0.000 1.050 411 K CA 1.235 57.563 56.287 0.067 0.000 0.938 411 K CB -0.059 32.473 32.500 0.054 0.000 0.718 411 K HN 0.028 nan 8.250 nan 0.000 0.442 412 V N 2.086 121.988 119.914 -0.019 0.000 2.343 412 V HA -0.273 3.847 4.120 -0.001 0.000 0.247 412 V C 2.393 178.540 176.094 0.088 0.000 1.051 412 V CA 1.737 64.040 62.300 0.005 0.000 1.036 412 V CB -0.408 31.416 31.823 0.002 0.000 0.654 412 V HN 0.347 nan 8.190 nan 0.000 0.451 413 K N 0.275 120.727 120.400 0.087 0.000 2.002 413 K HA -0.226 4.094 4.320 -0.001 0.000 0.209 413 K C 2.038 178.714 176.600 0.127 0.000 1.048 413 K CA 1.969 58.334 56.287 0.130 0.000 0.930 413 K CB -0.221 32.411 32.500 0.219 0.000 0.714 413 K HN 0.419 nan 8.250 nan 0.000 0.438 414 N N 0.318 119.098 118.700 0.133 0.000 2.120 414 N HA -0.185 4.555 4.740 -0.001 0.000 0.188 414 N C 1.772 177.372 175.510 0.150 0.000 1.024 414 N CA 1.428 54.555 53.050 0.128 0.000 0.852 414 N CB -0.629 37.935 38.487 0.128 0.000 1.003 414 N HN 0.428 nan 8.380 nan 0.000 0.424 415 H N 0.756 119.869 119.070 0.072 0.000 2.319 415 H HA 0.064 4.619 4.556 -0.001 0.000 0.299 415 H C 2.049 177.439 175.328 0.104 0.000 1.092 415 H CA 1.834 57.926 56.048 0.074 0.000 1.302 415 H CB -0.096 29.611 29.762 -0.092 0.000 1.373 415 H HN 0.107 nan 8.280 nan 0.000 0.497 416 M N -0.842 118.785 119.600 0.045 0.000 2.229 416 M HA -0.138 4.342 4.480 -0.001 0.000 0.264 416 M C 1.730 178.103 176.300 0.122 0.000 1.063 416 M CA 1.076 56.406 55.300 0.050 0.000 1.114 416 M CB 0.048 32.743 32.600 0.159 0.000 1.387 416 M HN 0.350 nan 8.290 nan 0.000 0.420 417 M N -0.469 119.193 119.600 0.103 0.000 2.334 417 M HA -0.053 4.426 4.480 -0.001 0.000 0.266 417 M C 1.926 178.242 176.300 0.026 0.000 1.082 417 M CA 1.325 56.693 55.300 0.114 0.000 1.141 417 M CB -0.811 31.833 32.600 0.073 0.000 1.380 417 M HN 0.215 nan 8.290 nan 0.000 0.440 418 Q N -0.611 119.158 119.800 -0.052 0.000 2.398 418 Q HA 0.036 4.375 4.340 -0.001 0.000 0.204 418 Q C 0.099 175.804 176.000 -0.492 0.000 0.932 418 Q CA 0.803 56.471 55.803 -0.223 0.000 0.916 418 Q CB 0.346 28.951 28.738 -0.221 0.000 1.024 418 Q HN 0.559 nan 8.270 nan 0.000 0.504 419 H N 0.362 119.354 119.070 -0.129 0.000 2.380 419 H HA 0.251 4.806 4.556 -0.001 0.000 0.231 419 H C 0.249 175.474 175.328 -0.172 0.000 1.415 419 H CA -0.058 55.903 56.048 -0.146 0.000 1.433 419 H CB 0.554 30.141 29.762 -0.291 0.000 1.544 419 H HN 0.209 nan 8.280 nan 0.000 0.503 420 Q N 0.605 120.378 119.800 -0.045 0.000 2.435 420 Q HA -0.083 4.257 4.340 -0.001 0.000 0.207 420 Q C 1.639 177.574 176.000 -0.108 0.000 0.956 420 Q CA 0.584 56.312 55.803 -0.124 0.000 0.917 420 Q CB 0.497 29.113 28.738 -0.203 0.000 0.997 420 Q HN 0.469 nan 8.270 nan 0.000 0.497 421 E N 1.129 121.316 120.200 -0.021 0.000 2.502 421 E HA -0.067 4.282 4.350 -0.001 0.000 0.194 421 E C -0.496 176.131 176.600 0.045 0.000 1.062 421 E CA 0.373 56.776 56.400 0.006 0.000 0.867 421 E CB 0.041 29.763 29.700 0.036 0.000 0.888 421 E HN 0.136 nan 8.360 nan 0.000 0.510 422 D N 1.723 122.156 120.400 0.055 0.000 2.198 422 D HA 0.168 4.807 4.640 -0.001 0.000 0.245 422 D C -1.570 174.763 176.300 0.054 0.000 1.079 422 D CA -2.175 51.879 54.000 0.090 0.000 0.854 422 D CB 1.710 42.571 40.800 0.103 0.000 1.148 422 D HN -0.188 nan 8.370 nan 0.000 0.456 423 P HA 0.090 nan 4.420 nan 0.000 0.245 423 P C -0.151 177.186 177.300 0.062 0.000 1.206 423 P CA 0.235 63.366 63.100 0.052 0.000 0.781 423 P CB 0.487 32.214 31.700 0.045 0.000 0.994 424 L N 1.494 122.765 121.223 0.080 0.000 2.331 424 L HA 0.374 4.714 4.340 -0.001 0.000 0.275 424 L C -1.432 175.479 176.870 0.068 0.000 1.022 424 L CA -2.284 52.583 54.840 0.045 0.000 0.812 424 L CB 2.337 44.392 42.059 -0.006 0.000 1.257 424 L HN -0.306 nan 8.230 nan 0.000 0.435 425 P HA 0.094 nan 4.420 nan 0.000 0.251 425 P C 0.234 177.411 177.300 -0.205 0.000 1.223 425 P CA 0.527 63.635 63.100 0.013 0.000 0.796 425 P CB 0.416 32.127 31.700 0.018 0.000 1.068 426 I N 2.420 122.774 120.570 -0.360 0.000 2.396 426 I HA 0.195 4.365 4.170 -0.001 0.000 0.289 426 I C -2.097 173.519 176.117 -0.836 0.000 1.056 426 I CA -2.643 58.374 61.300 -0.472 0.000 1.365 426 I CB 0.599 38.415 38.000 -0.307 0.000 1.407 426 I HN -0.229 nan 8.210 nan 0.000 0.509 427 P HA -0.020 nan 4.420 nan 0.000 0.267 427 P C 0.336 177.381 177.300 -0.425 0.000 1.200 427 P CA 0.036 62.738 63.100 -0.663 0.000 0.772 427 P CB 0.361 31.916 31.700 -0.243 0.000 0.855 428 F N 0.616 120.425 119.950 -0.235 0.000 2.171 428 F HA -0.103 4.423 4.527 -0.001 0.000 0.300 428 F C 1.758 177.511 175.800 -0.078 0.000 1.090 428 F CA 1.550 59.470 58.000 -0.135 0.000 1.293 428 F CB -0.737 38.200 39.000 -0.105 0.000 1.013 428 F HN 0.405 nan 8.300 nan 0.000 0.486 429 E N -0.259 120.012 120.200 0.119 0.000 2.437 429 E HA 0.007 4.356 4.350 -0.001 0.000 0.195 429 E C -0.395 176.219 176.600 0.023 0.000 1.029 429 E CA -0.280 56.164 56.400 0.073 0.000 0.948 429 E CB -0.143 29.603 29.700 0.077 0.000 1.082 429 E HN 0.137 nan 8.360 nan 0.000 0.456 430 D N 2.166 122.559 120.400 -0.012 0.000 2.450 430 D HA 0.033 4.672 4.640 -0.001 0.000 0.247 430 D C -2.349 173.960 176.300 0.016 0.000 1.162 430 D CA -1.518 52.464 54.000 -0.031 0.000 0.879 430 D CB 0.837 41.581 40.800 -0.094 0.000 1.163 430 D HN -0.097 nan 8.370 nan 0.000 0.472 431 P HA 0.074 nan 4.420 nan 0.000 0.272 431 P C -0.395 177.018 177.300 0.187 0.000 1.230 431 P CA -0.378 62.805 63.100 0.138 0.000 0.788 431 P CB 0.395 32.167 31.700 0.120 0.000 0.949 432 E N 2.806 123.133 120.200 0.211 0.000 2.408 432 E HA 0.161 4.511 4.350 -0.001 0.000 0.259 432 E C -2.457 174.186 176.600 0.070 0.000 1.110 432 E CA -1.840 54.617 56.400 0.095 0.000 0.929 432 E CB -0.894 28.823 29.700 0.030 0.000 0.971 432 E HN 0.226 nan 8.360 nan 0.000 0.438 433 P HA 0.089 nan 4.420 nan 0.000 0.272 433 P C -0.505 176.798 177.300 0.004 0.000 1.223 433 P CA -0.026 63.142 63.100 0.113 0.000 0.784 433 P CB 0.436 32.162 31.700 0.045 0.000 0.923 434 Q N 0.863 120.768 119.800 0.174 0.000 3.662 434 Q HA 0.312 4.651 4.340 -0.001 0.000 0.237 434 Q C -1.208 174.889 176.000 0.161 0.000 0.895 434 Q CA -0.252 55.526 55.803 -0.041 0.000 0.767 434 Q CB 1.226 29.639 28.738 -0.541 0.000 1.469 434 Q HN 0.176 nan 8.270 nan 0.000 0.424 435 V N 0.595 120.571 119.914 0.104 0.000 2.628 435 V HA 0.741 4.861 4.120 -0.001 0.000 0.306 435 V C 0.047 176.171 176.094 0.051 0.000 1.045 435 V CA -0.447 61.915 62.300 0.104 0.000 0.905 435 V CB 2.136 33.963 31.823 0.006 0.000 0.997 435 V HN 0.441 nan 8.190 nan 0.000 0.436 436 T N 1.780 116.392 114.554 0.096 0.000 2.900 436 T HA 0.487 4.837 4.350 -0.001 0.000 0.303 436 T C -0.894 173.775 174.700 -0.051 0.000 1.142 436 T CA -0.317 61.785 62.100 0.004 0.000 1.007 436 T CB 1.865 70.717 68.868 -0.027 0.000 1.156 436 T HN 0.791 nan 8.240 nan 0.000 0.490 437 T N 4.863 119.240 114.554 -0.295 0.000 2.788 437 T HA 0.555 4.905 4.350 -0.001 0.000 0.296 437 T C 0.049 174.604 174.700 -0.242 0.000 1.009 437 T CA -0.621 61.133 62.100 -0.577 0.000 0.949 437 T CB -0.338 67.700 68.868 -1.383 0.000 0.946 437 T HN 0.521 nan 8.240 nan 0.000 0.453 438 L N 4.470 125.638 121.223 -0.091 0.000 2.483 438 L HA 0.307 4.647 4.340 -0.001 0.000 0.275 438 L C 0.865 177.758 176.870 0.038 0.000 1.220 438 L CA -0.764 54.113 54.840 0.063 0.000 0.833 438 L CB 0.102 42.191 42.059 0.049 0.000 1.102 438 L HN 0.621 nan 8.230 nan 0.000 0.490 439 F N 3.203 123.098 119.950 -0.092 0.000 2.537 439 F HA -0.130 4.396 4.527 -0.001 0.000 0.402 439 F C 0.326 175.883 175.800 -0.405 0.000 1.005 439 F CA 0.746 58.599 58.000 -0.246 0.000 1.203 439 F CB 0.093 38.991 39.000 -0.169 0.000 0.955 439 F HN 0.409 nan 8.300 nan 0.000 0.547 440 Q N 6.484 125.776 119.800 -0.846 0.000 2.462 440 Q HA 0.251 4.590 4.340 -0.001 0.000 0.285 440 Q C -2.090 173.436 176.000 -0.791 0.000 1.035 440 Q CA -1.718 53.672 55.803 -0.689 0.000 0.799 440 Q CB 1.449 29.678 28.738 -0.848 0.000 1.452 440 Q HN 0.231 nan 8.270 nan 0.000 0.404 441 P HA -0.172 nan 4.420 nan 0.000 0.218 441 P C 1.226 178.299 177.300 -0.378 0.000 1.148 441 P CA 1.829 64.745 63.100 -0.307 0.000 0.822 441 P CB 0.273 31.895 31.700 -0.131 0.000 0.784 442 S N -1.278 114.199 115.700 -0.372 0.000 2.522 442 S HA -0.110 4.359 4.470 -0.001 0.000 0.227 442 S C 0.530 174.930 174.600 -0.333 0.000 0.986 442 S CA 0.243 58.300 58.200 -0.239 0.000 0.929 442 S CB -1.248 61.919 63.200 -0.055 0.000 0.769 442 S HN 0.413 nan 8.310 nan 0.000 0.529 443 H N -1.100 117.519 119.070 -0.751 0.000 2.538 443 H HA 0.472 5.028 4.556 -0.001 0.000 0.239 443 H C -3.225 170.952 175.328 -1.918 0.000 1.401 443 H CA -1.878 53.323 56.048 -1.411 0.000 1.499 443 H CB 0.414 29.605 29.762 -0.951 0.000 1.624 443 H HN 0.089 nan 8.280 nan 0.000 0.524 444 P HA 0.069 nan 4.420 nan 0.000 0.226 444 P C -1.240 175.457 177.300 -1.004 0.000 1.783 444 P CA 0.225 62.247 63.100 -1.798 0.000 0.980 444 P CB -1.048 30.134 31.700 -0.864 0.000 1.967 445 W N -0.236 120.742 121.300 -0.538 0.000 3.213 445 W HA 0.498 5.158 4.660 -0.001 0.000 0.318 445 W C -0.917 175.686 176.519 0.140 0.000 1.248 445 W CA -1.248 56.110 57.345 0.022 0.000 1.187 445 W CB 0.062 29.562 29.460 0.066 0.000 1.403 445 W HN -0.002 nan 8.180 nan 0.000 0.556 446 H N 1.152 120.489 119.070 0.445 0.000 2.505 446 H HA 0.699 5.254 4.556 -0.001 0.000 0.351 446 H C -0.136 175.364 175.328 0.286 0.000 1.151 446 H CA 0.598 56.808 56.048 0.270 0.000 1.339 446 H CB 1.447 31.307 29.762 0.163 0.000 1.483 446 H HN 0.576 nan 8.280 nan 0.000 0.558 447 T N 2.003 116.209 114.554 -0.581 0.000 2.893 447 T HA 0.500 4.850 4.350 -0.001 0.000 0.293 447 T C -0.840 173.584 174.700 -0.461 0.000 1.027 447 T CA -1.114 60.688 62.100 -0.496 0.000 0.988 447 T CB 1.621 70.068 68.868 -0.701 0.000 1.043 447 T HN 0.662 nan 8.240 nan 0.000 0.461 448 Q N 1.915 121.642 119.800 -0.122 0.000 2.285 448 Q HA 0.546 4.886 4.340 -0.001 0.000 0.269 448 Q C -1.186 174.727 176.000 -0.144 0.000 1.030 448 Q CA -0.644 55.004 55.803 -0.258 0.000 0.788 448 Q CB 2.666 31.114 28.738 -0.482 0.000 1.266 448 Q HN 0.724 nan 8.270 nan 0.000 0.438 449 I N 4.647 125.107 120.570 -0.184 0.000 2.502 449 I HA 0.364 4.533 4.170 -0.001 0.000 0.276 449 I C -0.552 175.487 176.117 -0.130 0.000 1.057 449 I CA -0.531 60.555 61.300 -0.356 0.000 1.163 449 I CB 0.339 38.011 38.000 -0.547 0.000 1.288 449 I HN 0.647 nan 8.210 nan 0.000 0.479 450 H N 4.828 123.747 119.070 -0.251 0.000 2.883 450 H HA 0.602 5.158 4.556 -0.001 0.000 0.277 450 H C -1.519 173.771 175.328 -0.063 0.000 1.451 450 H CA -1.302 54.672 56.048 -0.124 0.000 1.157 450 H CB 1.446 31.171 29.762 -0.063 0.000 1.851 450 H HN 0.225 nan 8.280 nan 0.000 0.566 451 R N 0.938 121.297 120.500 -0.235 0.000 2.628 451 R HA 0.548 4.887 4.340 -0.001 0.000 0.288 451 R C -1.288 174.793 176.300 -0.366 0.000 0.980 451 R CA -0.529 55.385 56.100 -0.310 0.000 0.891 451 R CB 1.831 32.057 30.300 -0.123 0.000 1.188 451 R HN 0.864 nan 8.270 nan 0.000 0.450 452 D N 0.159 120.359 120.400 -0.332 0.000 2.725 452 D HA 0.417 5.057 4.640 -0.001 0.000 0.292 452 D C -1.545 174.597 176.300 -0.264 0.000 1.288 452 D CA -0.404 53.416 54.000 -0.301 0.000 0.784 452 D CB 1.871 42.475 40.800 -0.326 0.000 1.308 452 D HN 0.517 nan 8.370 nan 0.000 0.429 453 A N 1.095 123.657 122.820 -0.431 0.000 2.289 453 A HA 0.676 4.996 4.320 -0.001 0.000 0.298 453 A C -0.993 176.183 177.584 -0.680 0.000 1.208 453 A CA -0.060 51.781 52.037 -0.327 0.000 0.845 453 A CB -0.197 18.744 19.000 -0.098 0.000 1.125 453 A HN 0.318 nan 8.150 nan 0.000 0.517 454 F N 0.251 120.035 119.950 -0.278 0.000 2.691 454 F HA 0.389 4.915 4.527 -0.001 0.000 0.334 454 F C 1.706 177.296 175.800 -0.350 0.000 1.107 454 F CA 0.175 57.964 58.000 -0.351 0.000 0.991 454 F CB 1.713 40.299 39.000 -0.691 0.000 1.400 454 F HN 0.570 nan 8.300 nan 0.000 0.503 455 S N -0.427 115.258 115.700 -0.024 0.000 2.453 455 S HA -0.182 4.287 4.470 -0.001 0.000 0.231 455 S C 1.064 175.671 174.600 0.010 0.000 1.005 455 S CA 1.169 59.372 58.200 0.005 0.000 0.949 455 S CB -0.861 62.398 63.200 0.099 0.000 0.774 455 S HN 0.666 nan 8.310 nan 0.000 0.510 456 Y N 1.047 121.336 120.300 -0.018 0.000 2.468 456 Y HA 0.645 5.194 4.550 -0.001 0.000 0.268 456 Y C 1.005 176.860 175.900 -0.075 0.000 1.177 456 Y CA -1.499 56.555 58.100 -0.076 0.000 1.265 456 Y CB -0.983 37.385 38.460 -0.154 0.000 1.103 456 Y HN 0.168 nan 8.280 nan 0.000 0.522 457 G N 1.201 109.848 108.800 -0.256 0.000 2.491 457 G HA2 0.423 4.383 3.960 -0.001 0.000 0.238 457 G HA3 0.423 4.383 3.960 -0.001 0.000 0.238 457 G C -0.610 174.278 174.900 -0.021 0.000 1.277 457 G CA 0.242 45.245 45.100 -0.161 0.000 0.851 457 G HN 0.701 nan 8.290 nan 0.000 0.573 458 A N 1.030 123.871 122.820 0.035 0.000 2.539 458 A HA 0.697 5.017 4.320 -0.001 0.000 0.296 458 A C -0.976 176.642 177.584 0.057 0.000 1.073 458 A CA -0.564 51.504 52.037 0.052 0.000 0.700 458 A CB 2.186 21.231 19.000 0.075 0.000 1.296 458 A HN 1.325 nan 8.150 nan 0.000 0.405 459 V N 1.865 121.807 119.914 0.046 0.000 2.483 459 V HA 0.633 4.752 4.120 -0.001 0.000 0.295 459 V C -0.452 175.669 176.094 0.045 0.000 1.035 459 V CA -0.175 62.152 62.300 0.045 0.000 0.896 459 V CB 1.648 33.493 31.823 0.037 0.000 0.986 459 V HN 1.188 nan 8.190 nan 0.000 0.447 460 Q N 4.982 124.810 119.800 0.047 0.000 2.445 460 Q HA 0.633 4.973 4.340 -0.001 0.000 0.281 460 Q C -0.559 175.463 176.000 0.036 0.000 1.101 460 Q CA -0.612 55.215 55.803 0.041 0.000 0.833 460 Q CB 1.689 30.454 28.738 0.045 0.000 1.416 460 Q HN 0.431 nan 8.270 nan 0.000 0.451 461 Q N -0.055 119.764 119.800 0.032 0.000 2.113 461 Q HA 0.160 4.500 4.340 -0.001 0.000 0.225 461 Q C 0.840 176.857 176.000 0.029 0.000 0.786 461 Q CA 0.737 56.558 55.803 0.029 0.000 0.989 461 Q CB 1.084 29.836 28.738 0.024 0.000 1.174 461 Q HN 0.831 nan 8.270 nan 0.000 0.470 462 S N -0.156 115.562 115.700 0.029 0.000 2.414 462 S HA 0.089 4.558 4.470 -0.001 0.000 0.227 462 S C 1.089 175.707 174.600 0.031 0.000 1.022 462 S CA 0.209 58.425 58.200 0.027 0.000 0.958 462 S CB 0.254 63.469 63.200 0.025 0.000 0.797 462 S HN 0.098 nan 8.310 nan 0.000 0.493 463 I N 3.190 123.780 120.570 0.034 0.000 2.353 463 I HA 0.313 4.483 4.170 -0.001 0.000 0.293 463 I C 0.238 176.379 176.117 0.040 0.000 0.992 463 I CA -1.158 60.163 61.300 0.036 0.000 1.268 463 I CB 0.829 38.851 38.000 0.037 0.000 1.387 463 I HN 0.213 nan 8.210 nan 0.000 0.478 464 D N 3.918 124.345 120.400 0.044 0.000 2.487 464 D HA -0.057 4.583 4.640 -0.001 0.000 0.243 464 D C 1.229 177.558 176.300 0.047 0.000 1.154 464 D CA 0.197 54.228 54.000 0.052 0.000 0.876 464 D CB 1.195 42.032 40.800 0.061 0.000 1.161 464 D HN 0.662 nan 8.370 nan 0.000 0.478 465 S N 4.330 120.059 115.700 0.049 0.000 2.419 465 S HA -0.179 4.290 4.470 -0.001 0.000 0.233 465 S C 1.690 176.312 174.600 0.037 0.000 1.016 465 S CA 0.543 58.769 58.200 0.043 0.000 0.974 465 S CB -0.051 63.174 63.200 0.041 0.000 0.786 465 S HN 0.550 nan 8.310 nan 0.000 0.492 466 R N 0.788 121.309 120.500 0.035 0.000 2.211 466 R HA 0.059 4.399 4.340 -0.001 0.000 0.240 466 R C 1.896 178.200 176.300 0.007 0.000 1.144 466 R CA 1.450 57.556 56.100 0.009 0.000 0.992 466 R CB -0.637 29.655 30.300 -0.014 0.000 0.869 466 R HN 0.477 nan 8.270 nan 0.000 0.462 467 L N 0.269 121.506 121.223 0.023 0.000 2.418 467 L HA 0.088 4.428 4.340 -0.001 0.000 0.218 467 L C 0.798 177.696 176.870 0.046 0.000 1.125 467 L CA 0.229 55.086 54.840 0.029 0.000 0.835 467 L CB 0.038 42.116 42.059 0.032 0.000 0.953 467 L HN 0.059 nan 8.230 nan 0.000 0.454 468 I N 0.127 120.725 120.570 0.047 0.000 2.396 468 I HA 0.223 4.393 4.170 -0.001 0.000 0.292 468 I C -0.540 175.614 176.117 0.061 0.000 0.999 468 I CA -0.323 61.016 61.300 0.065 0.000 1.310 468 I CB 1.682 39.719 38.000 0.062 0.000 1.404 468 I HN -0.291 nan 8.210 nan 0.000 0.496 469 V N 4.816 124.789 119.914 0.099 0.000 2.709 469 V HA 0.329 4.448 4.120 -0.001 0.000 0.308 469 V C -0.861 175.267 176.094 0.056 0.000 1.062 469 V CA -0.826 61.495 62.300 0.035 0.000 0.901 469 V CB 2.177 34.013 31.823 0.021 0.000 1.003 469 V HN 0.584 nan 8.190 nan 0.000 0.425 470 D N 2.459 122.842 120.400 -0.028 0.000 2.175 470 D HA 0.500 5.140 4.640 -0.001 0.000 0.248 470 D C -1.044 175.251 176.300 -0.007 0.000 1.047 470 D CA 0.117 54.183 54.000 0.110 0.000 0.883 470 D CB 1.385 42.273 40.800 0.148 0.000 1.180 470 D HN 0.433 nan 8.370 nan 0.000 0.438 471 W N 1.431 122.807 121.300 0.126 0.000 2.600 471 W HA 0.473 5.133 4.660 -0.001 0.000 0.325 471 W C 0.119 176.729 176.519 0.151 0.000 1.034 471 W CA -0.856 56.571 57.345 0.136 0.000 1.226 471 W CB 1.320 30.740 29.460 -0.067 0.000 1.379 471 W HN -0.058 nan 8.180 nan 0.000 0.466 472 R N 2.938 123.681 120.500 0.404 0.000 2.502 472 R HA 0.511 4.851 4.340 -0.001 0.000 0.298 472 R C -1.602 174.847 176.300 0.248 0.000 1.018 472 R CA -0.824 55.361 56.100 0.140 0.000 0.899 472 R CB 1.615 31.889 30.300 -0.043 0.000 1.181 472 R HN 0.167 nan 8.270 nan 0.000 0.444 473 F N 3.182 122.959 119.950 -0.289 0.000 2.482 473 F HA 0.506 5.032 4.527 -0.001 0.000 0.331 473 F C -0.444 175.214 175.800 -0.237 0.000 1.115 473 F CA -1.555 56.377 58.000 -0.113 0.000 0.955 473 F CB 1.109 40.006 39.000 -0.171 0.000 1.136 473 F HN 0.299 nan 8.300 nan 0.000 0.452 474 F N 1.369 121.485 119.950 0.277 0.000 2.449 474 F HA 0.664 5.190 4.527 -0.001 0.000 0.342 474 F C 0.618 176.607 175.800 0.315 0.000 1.127 474 F CA -1.212 56.947 58.000 0.266 0.000 0.975 474 F CB 1.553 40.761 39.000 0.347 0.000 1.146 474 F HN 0.519 nan 8.300 nan 0.000 0.444 475 G N 2.190 111.225 108.800 0.391 0.000 2.437 475 G HA2 0.629 4.589 3.960 -0.001 0.000 0.319 475 G HA3 0.629 4.589 3.960 -0.001 0.000 0.319 475 G C -0.791 174.287 174.900 0.296 0.000 1.158 475 G CA -1.066 44.247 45.100 0.354 0.000 0.899 475 G HN 0.705 nan 8.290 nan 0.000 0.502 476 R N -0.597 120.079 120.500 0.294 0.000 2.457 476 R HA 0.654 4.994 4.340 -0.001 0.000 0.284 476 R C -0.975 175.416 176.300 0.152 0.000 1.024 476 R CA -0.551 55.644 56.100 0.157 0.000 1.025 476 R CB 1.160 31.561 30.300 0.168 0.000 1.063 476 R HN 0.264 nan 8.270 nan 0.000 0.493 477 T N 2.295 116.907 114.554 0.096 0.000 2.809 477 T HA 0.160 4.510 4.350 -0.001 0.000 0.284 477 T C -0.790 173.989 174.700 0.133 0.000 0.992 477 T CA -0.741 61.470 62.100 0.184 0.000 0.957 477 T CB 1.266 70.313 68.868 0.299 0.000 0.942 477 T HN 0.574 nan 8.240 nan 0.000 0.439 478 E N 4.294 124.574 120.200 0.134 0.000 2.415 478 E HA 0.110 4.459 4.350 -0.001 0.000 0.263 478 E C -2.191 174.488 176.600 0.131 0.000 0.995 478 E CA -1.388 55.082 56.400 0.117 0.000 0.915 478 E CB 0.239 29.998 29.700 0.098 0.000 0.951 478 E HN 0.283 nan 8.360 nan 0.000 0.449 479 P HA 0.081 nan 4.420 nan 0.000 0.276 479 P C -0.912 176.550 177.300 0.271 0.000 1.253 479 P CA 0.081 63.324 63.100 0.237 0.000 0.766 479 P CB 0.606 32.454 31.700 0.247 0.000 0.845 480 K N 2.659 123.168 120.400 0.183 0.000 2.378 480 K HA 0.178 4.498 4.320 -0.001 0.000 0.252 480 K C 0.952 177.416 176.600 -0.227 0.000 0.931 480 K CA -0.709 55.605 56.287 0.045 0.000 0.794 480 K CB 2.365 34.839 32.500 -0.043 0.000 1.181 480 K HN 0.427 nan 8.250 nan 0.000 0.425 481 E N 2.178 122.097 120.200 -0.468 0.000 2.160 481 E HA -0.210 4.139 4.350 -0.001 0.000 0.195 481 E C 0.971 177.311 176.600 -0.433 0.000 0.991 481 E CA 1.454 57.297 56.400 -0.928 0.000 0.810 481 E CB 0.474 29.828 29.700 -0.576 0.000 0.742 481 E HN 0.551 nan 8.360 nan 0.000 0.466 482 E N 0.351 120.406 120.200 -0.242 0.000 2.418 482 E HA -0.107 4.243 4.350 -0.001 0.000 0.197 482 E C -0.043 176.491 176.600 -0.109 0.000 1.026 482 E CA 0.289 56.601 56.400 -0.147 0.000 0.862 482 E CB -0.239 29.392 29.700 -0.115 0.000 0.799 482 E HN 0.078 nan 8.360 nan 0.000 0.518 483 N N 2.051 120.675 118.700 -0.126 0.000 2.406 483 N HA 0.177 4.917 4.740 -0.001 0.000 0.251 483 N C -0.785 174.782 175.510 0.095 0.000 1.069 483 N CA 0.114 53.138 53.050 -0.043 0.000 0.947 483 N CB 1.095 39.513 38.487 -0.115 0.000 1.111 483 N HN 0.123 nan 8.380 nan 0.000 0.497 484 K N 1.167 121.675 120.400 0.180 0.000 2.426 484 K HA 0.466 4.785 4.320 -0.001 0.000 0.251 484 K C -1.084 175.669 176.600 0.256 0.000 0.941 484 K CA -0.913 55.503 56.287 0.216 0.000 0.808 484 K CB 2.418 35.050 32.500 0.220 0.000 1.265 484 K HN 0.169 nan 8.250 nan 0.000 0.432 485 L N 3.845 125.168 121.223 0.166 0.000 2.305 485 L HA 0.590 4.929 4.340 -0.001 0.000 0.284 485 L C -1.342 175.476 176.870 -0.086 0.000 1.013 485 L CA -0.055 54.721 54.840 -0.108 0.000 0.819 485 L CB 0.558 42.558 42.059 -0.100 0.000 1.227 485 L HN 0.712 nan 8.230 nan 0.000 0.417 486 W N 3.647 124.670 121.300 -0.461 0.000 3.040 486 W HA 0.627 5.287 4.660 -0.001 0.000 0.344 486 W C -2.186 173.868 176.519 -0.774 0.000 1.201 486 W CA -1.306 55.808 57.345 -0.385 0.000 1.119 486 W CB 0.826 30.214 29.460 -0.119 0.000 1.478 486 W HN 0.346 nan 8.180 nan 0.000 0.586 487 F N 1.536 121.673 119.950 0.312 0.000 2.529 487 F HA 0.350 4.877 4.527 -0.001 0.000 0.320 487 F C 0.833 176.806 175.800 0.289 0.000 1.118 487 F CA -0.973 57.101 58.000 0.123 0.000 0.915 487 F CB 2.054 41.095 39.000 0.069 0.000 1.161 487 F HN 0.259 nan 8.300 nan 0.000 0.445 488 S N 1.132 116.983 115.700 0.252 0.000 2.560 488 S HA 0.012 4.482 4.470 -0.001 0.000 0.284 488 S C 0.808 175.554 174.600 0.244 0.000 1.327 488 S CA -0.407 57.976 58.200 0.305 0.000 1.055 488 S CB 0.344 63.635 63.200 0.153 0.000 0.868 488 S HN 0.714 nan 8.310 nan 0.000 0.506 489 D N 2.794 123.320 120.400 0.211 0.000 2.339 489 D HA 0.086 4.726 4.640 -0.001 0.000 0.217 489 D C 1.009 177.371 176.300 0.102 0.000 1.050 489 D CA 0.365 54.446 54.000 0.135 0.000 0.856 489 D CB 0.174 41.036 40.800 0.104 0.000 0.922 489 D HN 0.457 nan 8.370 nan 0.000 0.518 490 K N 0.027 120.492 120.400 0.109 0.000 2.424 490 K HA 0.107 4.426 4.320 -0.001 0.000 0.200 490 K C 0.202 176.847 176.600 0.075 0.000 1.279 490 K CA -0.113 56.223 56.287 0.081 0.000 0.918 490 K CB 0.747 33.292 32.500 0.074 0.000 1.287 490 K HN -0.022 nan 8.250 nan 0.000 0.502 491 I N 3.855 124.474 120.570 0.081 0.000 2.529 491 I HA 0.082 4.252 4.170 -0.001 0.000 0.284 491 I C 0.593 176.751 176.117 0.067 0.000 1.082 491 I CA 0.168 61.505 61.300 0.063 0.000 1.406 491 I CB 0.869 38.897 38.000 0.047 0.000 1.405 491 I HN 0.208 nan 8.210 nan 0.000 0.548 492 T N 1.583 116.173 114.554 0.060 0.000 2.930 492 T HA 0.594 4.944 4.350 -0.001 0.000 0.290 492 T C -0.342 174.398 174.700 0.067 0.000 1.052 492 T CA -0.925 61.217 62.100 0.070 0.000 1.017 492 T CB 2.437 71.342 68.868 0.062 0.000 1.137 492 T HN 0.555 nan 8.240 nan 0.000 0.511 493 D N 0.405 120.861 120.400 0.093 0.000 2.507 493 D HA 0.478 5.117 4.640 -0.001 0.000 0.280 493 D C 1.515 177.862 176.300 0.079 0.000 1.219 493 D CA -0.513 53.549 54.000 0.104 0.000 1.085 493 D CB 0.125 41.024 40.800 0.165 0.000 1.134 493 D HN 0.648 nan 8.370 nan 0.000 0.583 494 A N -1.437 121.426 122.820 0.072 0.000 2.121 494 A HA -0.073 4.246 4.320 -0.001 0.000 0.218 494 A C 0.995 178.424 177.584 -0.258 0.000 1.154 494 A CA 0.753 52.737 52.037 -0.089 0.000 0.679 494 A CB -0.888 18.026 19.000 -0.142 0.000 0.795 494 A HN 0.528 nan 8.150 nan 0.000 0.458 495 Y N -1.161 119.162 120.300 0.038 0.000 2.658 495 Y HA 0.227 4.777 4.550 -0.001 0.000 0.276 495 Y C 0.875 176.805 175.900 0.050 0.000 1.167 495 Y CA -0.196 57.931 58.100 0.044 0.000 1.230 495 Y CB -0.060 38.411 38.460 0.019 0.000 1.144 495 Y HN 0.445 nan 8.280 nan 0.000 0.529 496 N N 0.137 118.911 118.700 0.123 0.000 2.747 496 N HA -0.180 4.559 4.740 -0.001 0.000 0.249 496 N C -0.806 174.757 175.510 0.088 0.000 1.107 496 N CA 0.621 53.720 53.050 0.081 0.000 0.707 496 N CB -0.813 37.707 38.487 0.054 0.000 1.054 496 N HN 0.156 nan 8.380 nan 0.000 0.555 497 M N -0.425 119.244 119.600 0.115 0.000 2.654 497 M HA 0.476 4.956 4.480 -0.001 0.000 0.310 497 M C -2.049 174.318 176.300 0.112 0.000 1.211 497 M CA -1.922 53.434 55.300 0.093 0.000 0.947 497 M CB 0.690 33.344 32.600 0.089 0.000 1.647 497 M HN -0.198 nan 8.290 nan 0.000 0.481 498 P HA 0.004 nan 4.420 nan 0.000 0.264 498 P C -0.666 176.788 177.300 0.256 0.000 1.193 498 P CA 0.117 63.318 63.100 0.169 0.000 0.763 498 P CB 0.291 32.101 31.700 0.183 0.000 0.810 499 Q N 7.008 126.907 119.800 0.165 0.000 2.289 499 Q HA 0.173 4.512 4.340 -0.001 0.000 0.273 499 Q C -2.304 173.663 176.000 -0.055 0.000 1.029 499 Q CA -1.847 54.005 55.803 0.081 0.000 0.896 499 Q CB -0.185 28.553 28.738 -0.001 0.000 1.182 499 Q HN 0.274 nan 8.270 nan 0.000 0.385 500 P HA 0.164 nan 4.420 nan 0.000 0.275 500 P C -1.113 175.693 177.300 -0.825 0.000 1.227 500 P CA -0.200 62.492 63.100 -0.679 0.000 0.781 500 P CB 1.121 32.505 31.700 -0.527 0.000 0.906 501 T N 2.804 116.629 114.554 -1.215 0.000 2.921 501 T HA 0.520 4.869 4.350 -0.001 0.000 0.297 501 T C -0.622 173.388 174.700 -1.150 0.000 1.013 501 T CA -0.116 61.281 62.100 -1.173 0.000 0.990 501 T CB 0.489 68.352 68.868 -1.675 0.000 1.023 501 T HN 0.041 nan 8.240 nan 0.000 0.447 502 F N 1.828 121.498 119.950 -0.467 0.000 2.425 502 F HA 0.550 5.077 4.527 -0.001 0.000 0.331 502 F C 0.631 176.373 175.800 -0.096 0.000 1.085 502 F CA -0.899 56.951 58.000 -0.250 0.000 1.028 502 F CB 1.165 40.074 39.000 -0.151 0.000 1.177 502 F HN 0.396 nan 8.300 nan 0.000 0.487 503 D N 3.013 123.582 120.400 0.281 0.000 2.375 503 D HA 0.228 4.868 4.640 -0.001 0.000 0.259 503 D C -1.826 174.604 176.300 0.216 0.000 1.235 503 D CA -0.089 54.058 54.000 0.245 0.000 0.924 503 D CB 0.444 41.417 40.800 0.289 0.000 1.143 503 D HN 0.301 nan 8.370 nan 0.000 0.529 504 F N 3.288 123.231 119.950 -0.012 0.000 2.581 504 F HA 0.573 5.100 4.527 -0.001 0.000 0.311 504 F C -1.258 174.436 175.800 -0.178 0.000 1.113 504 F CA -0.583 57.346 58.000 -0.118 0.000 0.935 504 F CB 1.389 40.262 39.000 -0.211 0.000 1.232 504 F HN 0.034 nan 8.300 nan 0.000 0.445 505 R N 4.180 124.147 120.500 -0.888 0.000 2.771 505 R HA 0.375 4.714 4.340 -0.001 0.000 0.274 505 R C -1.651 174.042 176.300 -1.012 0.000 0.987 505 R CA -0.966 54.736 56.100 -0.663 0.000 0.908 505 R CB 1.837 31.966 30.300 -0.284 0.000 1.213 505 R HN 0.576 nan 8.270 nan 0.000 0.468 506 F N 2.668 122.427 119.950 -0.318 0.000 2.543 506 F HA 0.179 4.705 4.527 -0.001 0.000 0.375 506 F C -1.328 174.352 175.800 -0.199 0.000 1.075 506 F CA -1.187 56.699 58.000 -0.190 0.000 1.225 506 F CB -0.087 38.910 39.000 -0.005 0.000 1.099 506 F HN 0.118 nan 8.300 nan 0.000 0.561 507 P HA 0.106 nan 4.420 nan 0.000 0.266 507 P C -0.561 176.749 177.300 0.018 0.000 1.195 507 P CA -0.136 62.942 63.100 -0.037 0.000 0.768 507 P CB 0.524 32.218 31.700 -0.010 0.000 0.838 508 A N 2.638 125.455 122.820 -0.005 0.000 2.366 508 A HA 0.580 4.900 4.320 -0.001 0.000 0.250 508 A C 1.051 178.646 177.584 0.019 0.000 1.099 508 A CA 0.804 52.843 52.037 0.004 0.000 0.794 508 A CB -0.873 18.123 19.000 -0.007 0.000 1.056 508 A HN 0.825 nan 8.150 nan 0.000 0.499 509 G N -0.180 108.633 108.800 0.022 0.000 2.475 509 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.223 509 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.223 509 G C 0.950 175.876 174.900 0.045 0.000 1.201 509 G CA 0.640 45.758 45.100 0.031 0.000 0.962 509 G HN 1.010 nan 8.290 nan 0.000 0.586 510 R N -0.211 120.323 120.500 0.056 0.000 2.091 510 R HA -0.091 4.249 4.340 -0.001 0.000 0.238 510 R C 2.753 179.107 176.300 0.090 0.000 1.136 510 R CA 2.712 58.855 56.100 0.072 0.000 0.959 510 R CB -0.891 29.455 30.300 0.075 0.000 0.856 510 R HN 0.618 nan 8.270 nan 0.000 0.437 511 T N -0.057 114.554 114.554 0.095 0.000 2.720 511 T HA -0.094 4.255 4.350 -0.001 0.000 0.268 511 T C 1.894 176.644 174.700 0.083 0.000 1.037 511 T CA 1.732 63.903 62.100 0.119 0.000 1.144 511 T CB -0.116 68.843 68.868 0.152 0.000 0.864 511 T HN 0.255 nan 8.240 nan 0.000 0.444 512 S N 0.373 116.106 115.700 0.054 0.000 2.377 512 S HA 0.018 4.487 4.470 -0.001 0.000 0.223 512 S C 2.016 176.620 174.600 0.007 0.000 1.030 512 S CA 0.753 58.953 58.200 0.001 0.000 0.970 512 S CB -0.117 63.080 63.200 -0.006 0.000 0.830 512 S HN 0.478 nan 8.310 nan 0.000 0.473 513 K N 1.345 121.768 120.400 0.038 0.000 2.057 513 K HA -0.117 4.202 4.320 -0.001 0.000 0.207 513 K C 1.886 178.538 176.600 0.086 0.000 1.049 513 K CA 1.405 57.723 56.287 0.052 0.000 0.931 513 K CB -0.105 32.430 32.500 0.059 0.000 0.714 513 K HN 0.340 nan 8.250 nan 0.000 0.440 514 E N -0.083 120.192 120.200 0.125 0.000 2.077 514 E HA -0.175 4.175 4.350 -0.001 0.000 0.193 514 E C 1.962 178.647 176.600 0.141 0.000 0.989 514 E CA 0.995 57.528 56.400 0.222 0.000 0.800 514 E CB -0.098 29.765 29.700 0.272 0.000 0.746 514 E HN 0.441 nan 8.360 nan 0.000 0.452 515 A N 1.309 124.177 122.820 0.080 0.000 1.902 515 A HA -0.249 4.070 4.320 -0.001 0.000 0.217 515 A C 2.072 179.707 177.584 0.084 0.000 1.181 515 A CA 1.799 53.872 52.037 0.060 0.000 0.623 515 A CB -0.395 18.593 19.000 -0.020 0.000 0.818 515 A HN 0.143 nan 8.150 nan 0.000 0.443 516 E N 0.403 120.635 120.200 0.053 0.000 2.106 516 E HA -0.152 4.198 4.350 -0.001 0.000 0.192 516 E C 1.247 177.824 176.600 -0.037 0.000 0.984 516 E CA 1.499 57.933 56.400 0.057 0.000 0.806 516 E CB -0.263 29.448 29.700 0.019 0.000 0.750 516 E HN 0.513 nan 8.360 nan 0.000 0.458 517 D N -0.361 120.016 120.400 -0.039 0.000 2.178 517 D HA -0.128 4.512 4.640 -0.001 0.000 0.202 517 D C 1.846 177.926 176.300 -0.367 0.000 0.974 517 D CA 0.874 54.847 54.000 -0.045 0.000 0.841 517 D CB -0.242 40.653 40.800 0.158 0.000 0.953 517 D HN 0.307 nan 8.370 nan 0.000 0.478 518 M N -0.247 118.919 119.600 -0.723 0.000 2.132 518 M HA -0.183 4.297 4.480 -0.001 0.000 0.263 518 M C 2.002 177.887 176.300 -0.692 0.000 1.065 518 M CA 1.152 55.663 55.300 -1.316 0.000 1.122 518 M CB 0.037 32.090 32.600 -0.912 0.000 1.365 518 M HN -0.044 nan 8.290 nan 0.000 0.411 519 M N 0.293 119.613 119.600 -0.467 0.000 2.080 519 M HA -0.157 4.322 4.480 -0.001 0.000 0.260 519 M C 1.801 177.887 176.300 -0.355 0.000 1.068 519 M CA 2.375 57.396 55.300 -0.465 0.000 1.109 519 M CB -0.993 31.403 32.600 -0.339 0.000 1.342 519 M HN 0.247 nan 8.290 nan 0.000 0.405 520 T N 0.069 114.482 114.554 -0.234 0.000 2.746 520 T HA -0.171 4.178 4.350 -0.001 0.000 0.267 520 T C 1.495 176.125 174.700 -0.117 0.000 1.039 520 T CA 1.814 63.832 62.100 -0.137 0.000 1.142 520 T CB -0.626 68.204 68.868 -0.063 0.000 0.866 520 T HN 0.524 nan 8.240 nan 0.000 0.444 521 D N 0.588 120.920 120.400 -0.113 0.000 2.123 521 D HA -0.101 4.539 4.640 -0.001 0.000 0.196 521 D C 2.059 178.360 176.300 0.002 0.000 0.992 521 D CA 0.990 55.032 54.000 0.071 0.000 0.833 521 D CB -0.232 40.742 40.800 0.291 0.000 0.954 521 D HN 0.312 nan 8.370 nan 0.000 0.455 522 M N -0.514 118.840 119.600 -0.410 0.000 2.117 522 M HA -0.181 4.299 4.480 -0.001 0.000 0.262 522 M C 1.987 177.993 176.300 -0.491 0.000 1.065 522 M CA 1.414 56.197 55.300 -0.861 0.000 1.114 522 M CB -0.180 31.617 32.600 -1.338 0.000 1.361 522 M HN 0.187 nan 8.290 nan 0.000 0.408 523 C N -0.302 118.810 119.300 -0.313 0.000 2.429 523 C HA -0.106 4.353 4.460 -0.001 0.000 0.277 523 C C 2.677 177.568 174.990 -0.165 0.000 1.262 523 C CA 0.861 59.801 59.018 -0.130 0.000 1.733 523 C CB -0.995 26.723 27.740 -0.038 0.000 2.010 523 C HN 0.516 nan 8.230 nan 0.000 0.483 524 V N 0.472 120.322 119.914 -0.107 0.000 2.379 524 V HA -0.241 3.878 4.120 -0.001 0.000 0.245 524 V C 2.359 178.433 176.094 -0.033 0.000 1.044 524 V CA 2.145 64.415 62.300 -0.050 0.000 1.036 524 V CB -0.596 31.247 31.823 0.034 0.000 0.664 524 V HN 0.600 nan 8.190 nan 0.000 0.453 525 M N 0.560 120.171 119.600 0.019 0.000 2.193 525 M HA -0.130 4.350 4.480 -0.001 0.000 0.265 525 M C 2.518 178.687 176.300 -0.220 0.000 1.071 525 M CA 2.107 57.493 55.300 0.143 0.000 1.140 525 M CB -0.172 32.678 32.600 0.417 0.000 1.369 525 M HN 0.519 nan 8.290 nan 0.000 0.423 526 S N 0.916 116.155 115.700 -0.769 0.000 2.383 526 S HA -0.135 4.335 4.470 -0.001 0.000 0.229 526 S C 1.989 176.201 174.600 -0.647 0.000 1.030 526 S CA 1.242 58.629 58.200 -1.355 0.000 1.002 526 S CB -1.010 61.167 63.200 -1.704 0.000 0.829 526 S HN 0.594 nan 8.310 nan 0.000 0.467 527 A N 1.919 124.460 122.820 -0.466 0.000 2.125 527 A HA -0.023 4.297 4.320 -0.001 0.000 0.219 527 A C 2.155 179.619 177.584 -0.200 0.000 1.156 527 A CA 1.342 53.165 52.037 -0.356 0.000 0.671 527 A CB -0.552 18.257 19.000 -0.319 0.000 0.794 527 A HN 0.690 nan 8.150 nan 0.000 0.459 528 K N -0.701 119.623 120.400 -0.127 0.000 2.288 528 K HA 0.030 4.350 4.320 -0.001 0.000 0.201 528 K C 1.116 177.718 176.600 0.003 0.000 1.048 528 K CA 0.782 57.043 56.287 -0.042 0.000 0.956 528 K CB -0.002 32.507 32.500 0.016 0.000 0.746 528 K HN 0.402 nan 8.250 nan 0.000 0.461 529 I N -0.596 119.995 120.570 0.034 0.000 3.172 529 I HA 0.152 4.322 4.170 -0.001 0.000 0.278 529 I C 1.097 177.244 176.117 0.050 0.000 1.174 529 I CA 0.573 61.946 61.300 0.123 0.000 1.445 529 I CB 0.084 38.301 38.000 0.362 0.000 1.175 529 I HN 0.115 nan 8.210 nan 0.000 0.447 530 G N -0.635 108.139 108.800 -0.043 0.000 2.328 530 G HA2 0.455 4.414 3.960 -0.001 0.000 0.295 530 G HA3 0.455 4.414 3.960 -0.001 0.000 0.295 530 G C -0.722 174.050 174.900 -0.214 0.000 1.413 530 G CA -0.163 44.888 45.100 -0.081 0.000 0.817 530 G HN 0.285 nan 8.290 nan 0.000 0.546 531 G N -1.191 107.480 108.800 -0.215 0.000 2.528 531 G HA2 0.590 4.550 3.960 -0.001 0.000 0.289 531 G HA3 0.590 4.550 3.960 -0.001 0.000 0.289 531 G C -0.356 174.373 174.900 -0.284 0.000 1.192 531 G CA -0.607 44.273 45.100 -0.367 0.000 0.921 531 G HN 0.452 nan 8.290 nan 0.000 0.512 532 F N -0.722 119.145 119.950 -0.137 0.000 2.506 532 F HA 0.224 4.751 4.527 -0.001 0.000 0.351 532 F C 0.705 176.453 175.800 -0.087 0.000 1.136 532 F CA -0.756 57.157 58.000 -0.144 0.000 1.298 532 F CB 0.736 39.634 39.000 -0.169 0.000 1.145 532 F HN 0.164 nan 8.300 nan 0.000 0.593 533 L N 5.715 127.010 121.223 0.120 0.000 2.361 533 L HA 0.386 4.726 4.340 -0.001 0.000 0.278 533 L C -2.432 174.467 176.870 0.048 0.000 1.113 533 L CA -1.838 53.040 54.840 0.065 0.000 0.849 533 L CB 0.066 42.157 42.059 0.053 0.000 1.155 533 L HN 0.290 nan 8.230 nan 0.000 0.452 534 P HA 0.190 nan 4.420 nan 0.000 0.262 534 P C 0.563 177.875 177.300 0.019 0.000 1.182 534 P CA 1.081 64.196 63.100 0.025 0.000 0.761 534 P CB 0.670 32.384 31.700 0.023 0.000 0.795 535 G N 2.120 110.924 108.800 0.006 0.000 2.176 535 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.253 535 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.253 535 G C 0.445 175.358 174.900 0.022 0.000 0.979 535 G CA 0.218 45.327 45.100 0.016 0.000 0.641 535 G HN 0.516 nan 8.290 nan 0.000 0.530 536 S N 0.553 116.243 115.700 -0.017 0.000 2.665 536 S HA 0.492 4.961 4.470 -0.001 0.000 0.235 536 S C 0.447 174.914 174.600 -0.223 0.000 1.084 536 S CA -0.574 57.584 58.200 -0.070 0.000 1.151 536 S CB 0.336 63.494 63.200 -0.071 0.000 1.151 536 S HN 0.466 nan 8.310 nan 0.000 0.461 537 L N 2.588 123.678 121.223 -0.221 0.000 2.464 537 L HA 0.333 4.673 4.340 -0.001 0.000 0.264 537 L C -2.040 174.512 176.870 -0.531 0.000 1.199 537 L CA -2.111 52.479 54.840 -0.418 0.000 0.818 537 L CB -0.043 41.832 42.059 -0.307 0.000 1.102 537 L HN 0.067 nan 8.230 nan 0.000 0.473 538 P HA 0.011 nan 4.420 nan 0.000 0.263 538 P C -1.393 175.636 177.300 -0.451 0.000 1.195 538 P CA 0.111 62.800 63.100 -0.684 0.000 0.762 538 P CB 0.520 31.723 31.700 -0.827 0.000 0.799 539 Q N 1.792 121.363 119.800 -0.382 0.000 2.522 539 Q HA 0.481 4.821 4.340 -0.001 0.000 0.285 539 Q C -1.362 174.426 176.000 -0.353 0.000 0.982 539 Q CA -0.914 54.733 55.803 -0.260 0.000 0.805 539 Q CB 0.714 29.376 28.738 -0.128 0.000 1.457 539 Q HN 0.089 nan 8.270 nan 0.000 0.394 540 F N 1.322 121.168 119.950 -0.174 0.000 2.429 540 F HA 0.314 4.841 4.527 -0.001 0.000 0.348 540 F C 0.521 176.212 175.800 -0.182 0.000 1.109 540 F CA -0.261 57.628 58.000 -0.185 0.000 1.232 540 F CB 0.905 39.796 39.000 -0.183 0.000 1.157 540 F HN 0.372 nan 8.300 nan 0.000 0.564 541 M N 1.452 121.003 119.600 -0.083 0.000 2.342 541 M HA 0.226 4.706 4.480 -0.001 0.000 0.332 541 M C -0.061 176.175 176.300 -0.106 0.000 1.166 541 M CA -1.051 54.128 55.300 -0.202 0.000 1.086 541 M CB 0.828 33.155 32.600 -0.455 0.000 1.541 541 M HN 0.462 nan 8.290 nan 0.000 0.462 542 E N 2.476 122.596 120.200 -0.133 0.000 2.568 542 E HA 0.034 4.384 4.350 -0.001 0.000 0.262 542 E C -2.220 174.345 176.600 -0.058 0.000 0.961 542 E CA -0.470 55.885 56.400 -0.074 0.000 0.945 542 E CB -0.343 29.305 29.700 -0.086 0.000 0.924 542 E HN 0.229 nan 8.360 nan 0.000 0.467 543 P HA 0.051 nan 4.420 nan 0.000 0.267 543 P C 0.655 177.852 177.300 -0.172 0.000 1.209 543 P CA 0.943 64.035 63.100 -0.012 0.000 0.763 543 P CB 0.779 32.473 31.700 -0.010 0.000 0.816 544 G N 2.494 111.188 108.800 -0.175 0.000 2.217 544 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.246 544 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.246 544 G C 0.718 175.551 174.900 -0.111 0.000 0.990 544 G CA 0.025 44.994 45.100 -0.218 0.000 0.627 544 G HN 0.496 nan 8.290 nan 0.000 0.522 545 L N 1.040 122.202 121.223 -0.101 0.000 2.275 545 L HA 0.231 4.571 4.340 -0.001 0.000 0.215 545 L C 2.777 179.642 176.870 -0.010 0.000 1.119 545 L CA 2.155 56.958 54.840 -0.062 0.000 0.790 545 L CB -0.373 41.592 42.059 -0.156 0.000 0.919 545 L HN 0.408 nan 8.230 nan 0.000 0.443 546 V N -0.266 119.613 119.914 -0.058 0.000 2.809 546 V HA -0.110 4.010 4.120 -0.001 0.000 0.256 546 V C 1.466 177.510 176.094 -0.084 0.000 1.080 546 V CA 0.655 62.908 62.300 -0.077 0.000 1.102 546 V CB -0.266 31.505 31.823 -0.087 0.000 0.705 546 V HN 0.467 nan 8.190 nan 0.000 0.475 547 L N 0.460 121.702 121.223 0.031 0.000 3.660 547 L HA -0.249 4.090 4.340 -0.001 0.000 0.440 547 L C 0.312 177.388 176.870 0.344 0.000 1.262 547 L CA 0.861 55.790 54.840 0.147 0.000 0.837 547 L CB -2.450 39.724 42.059 0.192 0.000 1.689 547 L HN 0.557 nan 8.230 nan 0.000 0.890 548 H N -0.733 118.450 119.070 0.188 0.000 2.492 548 H HA 0.286 4.841 4.556 -0.001 0.000 0.264 548 H C 0.498 175.965 175.328 0.233 0.000 1.150 548 H CA -1.055 55.144 56.048 0.252 0.000 0.962 548 H CB 0.770 30.715 29.762 0.306 0.000 1.766 548 H HN 0.235 nan 8.280 nan 0.000 0.589 549 L N 1.838 123.211 121.223 0.250 0.000 2.499 549 L HA 0.256 4.595 4.340 -0.001 0.000 0.273 549 L C 0.564 177.575 176.870 0.234 0.000 1.195 549 L CA 0.744 55.684 54.840 0.166 0.000 0.882 549 L CB 0.412 42.528 42.059 0.094 0.000 1.133 549 L HN 0.273 nan 8.230 nan 0.000 0.483 550 G N 1.727 110.678 108.800 0.253 0.000 2.725 550 G HA2 0.537 4.497 3.960 -0.001 0.000 0.288 550 G HA3 0.537 4.497 3.960 -0.001 0.000 0.288 550 G C 0.253 175.263 174.900 0.183 0.000 1.399 550 G CA -0.288 44.967 45.100 0.259 0.000 0.859 550 G HN 1.313 nan 8.290 nan 0.000 0.479 551 G N -1.301 107.570 108.800 0.118 0.000 2.179 551 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.260 551 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.260 551 G C 1.330 176.300 174.900 0.117 0.000 0.977 551 G CA 1.578 46.756 45.100 0.130 0.000 0.641 551 G HN 1.909 nan 8.290 nan 0.000 0.533 552 T N -1.954 112.624 114.554 0.040 0.000 3.055 552 T HA 0.187 4.537 4.350 -0.001 0.000 0.265 552 T C 1.008 175.804 174.700 0.160 0.000 1.111 552 T CA 1.731 63.900 62.100 0.115 0.000 1.118 552 T CB -0.276 68.672 68.868 0.133 0.000 0.909 552 T HN 1.434 nan 8.240 nan 0.000 0.501 553 H N -0.110 119.033 119.070 0.122 0.000 2.695 553 H HA 0.463 5.019 4.556 -0.001 0.000 0.222 553 H C -0.110 175.256 175.328 0.064 0.000 1.412 553 H CA -1.312 54.781 56.048 0.076 0.000 1.347 553 H CB -0.237 29.534 29.762 0.015 0.000 1.858 553 H HN 0.317 nan 8.280 nan 0.000 0.519 554 R N 0.869 121.444 120.500 0.126 0.000 2.641 554 R HA 0.276 4.615 4.340 -0.001 0.000 0.269 554 R C -0.369 175.978 176.300 0.079 0.000 1.074 554 R CA -0.680 55.465 56.100 0.075 0.000 1.133 554 R CB 0.976 31.316 30.300 0.066 0.000 1.029 554 R HN 0.484 nan 8.270 nan 0.000 0.488 555 M N 1.597 121.219 119.600 0.037 0.000 2.274 555 M HA 0.426 4.906 4.480 -0.001 0.000 0.344 555 M C -0.420 175.868 176.300 -0.021 0.000 1.161 555 M CA 0.319 55.616 55.300 -0.004 0.000 1.126 555 M CB 1.492 34.065 32.600 -0.045 0.000 1.522 555 M HN 0.961 nan 8.290 nan 0.000 0.461 556 G N 2.131 110.928 108.800 -0.006 0.000 2.548 556 G HA2 0.393 4.352 3.960 -0.001 0.000 0.301 556 G HA3 0.393 4.352 3.960 -0.001 0.000 0.301 556 G C -0.919 173.965 174.900 -0.027 0.000 1.349 556 G CA -0.666 44.380 45.100 -0.091 0.000 0.792 556 G HN 0.655 nan 8.290 nan 0.000 0.481 557 F N -0.028 120.013 119.950 0.152 0.000 2.270 557 F HA 0.289 4.815 4.527 -0.001 0.000 0.295 557 F C 1.008 176.910 175.800 0.170 0.000 1.087 557 F CA 0.998 59.088 58.000 0.150 0.000 1.365 557 F CB 0.432 39.482 39.000 0.084 0.000 1.056 557 F HN 0.342 nan 8.300 nan 0.000 0.506 558 D N -0.972 119.569 120.400 0.235 0.000 2.757 558 D HA 0.125 4.765 4.640 -0.001 0.000 0.249 558 D C 0.710 176.850 176.300 -0.266 0.000 1.168 558 D CA -0.263 53.724 54.000 -0.022 0.000 0.870 558 D CB 1.353 42.160 40.800 0.011 0.000 1.411 558 D HN 0.095 nan 8.370 nan 0.000 0.525 559 E N 3.202 122.908 120.200 -0.824 0.000 2.070 559 E HA -0.291 4.058 4.350 -0.001 0.000 0.197 559 E C 1.276 177.717 176.600 -0.265 0.000 1.004 559 E CA 1.359 57.277 56.400 -0.804 0.000 0.805 559 E CB 0.262 29.330 29.700 -1.052 0.000 0.744 559 E HN 0.439 nan 8.360 nan 0.000 0.451 560 K N 0.089 120.371 120.400 -0.197 0.000 2.021 560 K HA -0.129 4.191 4.320 -0.001 0.000 0.205 560 K C 2.082 178.656 176.600 -0.044 0.000 1.047 560 K CA 1.440 57.677 56.287 -0.082 0.000 0.943 560 K CB 0.036 32.500 32.500 -0.061 0.000 0.725 560 K HN 0.087 nan 8.250 nan 0.000 0.439 561 E N 0.380 120.557 120.200 -0.038 0.000 2.110 561 E HA -0.151 4.199 4.350 -0.001 0.000 0.193 561 E C 0.764 177.364 176.600 0.001 0.000 0.988 561 E CA 1.189 57.587 56.400 -0.003 0.000 0.804 561 E CB 0.128 29.837 29.700 0.014 0.000 0.745 561 E HN 0.359 nan 8.360 nan 0.000 0.458 562 D N 0.076 120.471 120.400 -0.009 0.000 2.402 562 D HA 0.058 4.698 4.640 -0.001 0.000 0.216 562 D C -0.683 175.559 176.300 -0.097 0.000 1.128 562 D CA -0.037 53.952 54.000 -0.018 0.000 0.833 562 D CB 0.070 40.893 40.800 0.039 0.000 0.971 562 D HN 0.102 nan 8.370 nan 0.000 0.503 563 N N 0.796 119.441 118.700 -0.092 0.000 2.669 563 N HA -0.195 4.544 4.740 -0.001 0.000 0.266 563 N C -0.121 175.327 175.510 -0.103 0.000 1.024 563 N CA 0.495 53.476 53.050 -0.116 0.000 0.766 563 N CB -1.389 36.918 38.487 -0.299 0.000 0.898 563 N HN 0.407 nan 8.380 nan 0.000 0.548 564 C N -3.345 115.974 119.300 0.031 0.000 3.307 564 C HA 0.788 5.248 4.460 -0.001 0.000 0.350 564 C C 1.286 176.459 174.990 0.306 0.000 1.549 564 C CA -0.594 58.511 59.018 0.145 0.000 1.396 564 C CB 1.568 29.412 27.740 0.174 0.000 1.970 564 C HN 0.507 nan 8.230 nan 0.000 0.441 565 C N 0.103 119.601 119.300 0.331 0.000 3.480 565 C HA 0.497 4.956 4.460 -0.001 0.000 0.480 565 C C 0.546 175.586 174.990 0.084 0.000 1.410 565 C CA 0.579 59.778 59.018 0.302 0.000 2.172 565 C CB -0.277 27.566 27.740 0.172 0.000 3.162 565 C HN 0.950 nan 8.230 nan 0.000 0.635 566 V N 1.458 121.308 119.914 -0.106 0.000 2.914 566 V HA 0.721 4.840 4.120 -0.001 0.000 0.314 566 V C -0.706 175.032 176.094 -0.593 0.000 1.084 566 V CA -0.586 61.428 62.300 -0.477 0.000 0.963 566 V CB 1.539 33.228 31.823 -0.224 0.000 1.025 566 V HN 0.402 nan 8.190 nan 0.000 0.432 567 N N 1.192 119.414 118.700 -0.796 0.000 2.443 567 N HA 0.264 5.003 4.740 -0.001 0.000 0.294 567 N C 1.003 176.381 175.510 -0.220 0.000 1.289 567 N CA 0.226 53.047 53.050 -0.381 0.000 0.966 567 N CB -0.167 38.138 38.487 -0.304 0.000 1.122 567 N HN 0.916 nan 8.380 nan 0.000 0.569 568 T N -4.823 109.645 114.554 -0.142 0.000 3.160 568 T HA 0.070 4.419 4.350 -0.001 0.000 0.257 568 T C -0.012 174.612 174.700 -0.127 0.000 1.147 568 T CA 0.410 62.421 62.100 -0.148 0.000 1.064 568 T CB -0.376 68.420 68.868 -0.120 0.000 0.949 568 T HN 0.409 nan 8.240 nan 0.000 0.526 569 D N 0.949 121.265 120.400 -0.139 0.000 2.340 569 D HA 0.211 4.851 4.640 -0.001 0.000 0.217 569 D C 0.601 176.903 176.300 0.003 0.000 1.081 569 D CA 0.043 53.976 54.000 -0.113 0.000 0.842 569 D CB 0.210 40.820 40.800 -0.316 0.000 0.934 569 D HN 0.313 nan 8.370 nan 0.000 0.511 570 S N 0.132 115.802 115.700 -0.050 0.000 3.382 570 S HA -0.255 4.215 4.470 -0.001 0.000 0.293 570 S C 0.593 175.167 174.600 -0.042 0.000 1.262 570 S CA 0.479 58.687 58.200 0.013 0.000 0.969 570 S CB -1.259 62.027 63.200 0.144 0.000 1.136 570 S HN 0.452 nan 8.310 nan 0.000 0.635 571 R N 1.233 121.588 120.500 -0.242 0.000 2.308 571 R HA 0.459 4.798 4.340 -0.001 0.000 0.305 571 R C -0.092 175.893 176.300 -0.526 0.000 1.053 571 R CA -0.341 55.421 56.100 -0.563 0.000 0.957 571 R CB 0.667 30.609 30.300 -0.597 0.000 1.022 571 R HN 0.129 nan 8.270 nan 0.000 0.461 572 V N 6.374 126.017 119.914 -0.452 0.000 2.529 572 V HA 0.021 4.140 4.120 -0.001 0.000 0.292 572 V C 0.137 176.161 176.094 -0.118 0.000 1.028 572 V CA 0.164 62.281 62.300 -0.304 0.000 1.074 572 V CB -0.041 31.604 31.823 -0.296 0.000 0.958 572 V HN 0.567 nan 8.190 nan 0.000 0.481 573 F N 3.636 123.624 119.950 0.064 0.000 2.629 573 F HA 0.366 4.893 4.527 -0.001 0.000 0.377 573 F C 1.630 177.551 175.800 0.202 0.000 1.101 573 F CA 1.424 59.484 58.000 0.100 0.000 1.301 573 F CB -0.118 38.935 39.000 0.089 0.000 1.062 573 F HN 0.784 nan 8.300 nan 0.000 0.583 574 G N 1.938 110.912 108.800 0.290 0.000 2.245 574 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.264 574 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.264 574 G C -0.116 174.679 174.900 -0.174 0.000 0.985 574 G CA -0.289 44.860 45.100 0.081 0.000 0.625 574 G HN 0.451 nan 8.290 nan 0.000 0.536 575 F N 0.717 120.697 119.950 0.050 0.000 2.444 575 F HA 0.576 5.103 4.527 -0.001 0.000 0.342 575 F C 1.356 177.155 175.800 -0.003 0.000 1.121 575 F CA -0.994 57.023 58.000 0.029 0.000 0.997 575 F CB 1.677 40.693 39.000 0.027 0.000 1.130 575 F HN -0.240 nan 8.300 nan 0.000 0.454 576 K N 1.647 122.131 120.400 0.140 0.000 2.217 576 K HA -0.041 4.278 4.320 -0.001 0.000 0.202 576 K C 0.688 177.497 176.600 0.348 0.000 1.051 576 K CA 0.893 57.312 56.287 0.218 0.000 0.952 576 K CB 0.029 32.666 32.500 0.229 0.000 0.736 576 K HN 0.641 nan 8.250 nan 0.000 0.453 577 N N 0.048 118.916 118.700 0.280 0.000 2.387 577 N HA 0.036 4.776 4.740 -0.001 0.000 0.259 577 N C -0.721 174.895 175.510 0.177 0.000 1.369 577 N CA -0.349 52.899 53.050 0.329 0.000 0.867 577 N CB -0.089 38.629 38.487 0.385 0.000 1.341 577 N HN -0.066 nan 8.380 nan 0.000 0.495 578 L N 0.574 121.706 121.223 -0.152 0.000 2.356 578 L HA 0.722 5.061 4.340 -0.001 0.000 0.277 578 L C -1.825 174.676 176.870 -0.614 0.000 0.996 578 L CA -0.638 54.084 54.840 -0.197 0.000 0.822 578 L CB 0.970 42.918 42.059 -0.185 0.000 1.256 578 L HN -0.018 nan 8.230 nan 0.000 0.413 579 F N 4.908 124.789 119.950 -0.116 0.000 2.551 579 F HA 0.670 5.197 4.527 -0.001 0.000 0.316 579 F C -0.600 175.063 175.800 -0.229 0.000 1.089 579 F CA -0.664 57.248 58.000 -0.147 0.000 0.915 579 F CB 1.883 40.827 39.000 -0.094 0.000 1.186 579 F HN 0.207 nan 8.300 nan 0.000 0.456 580 L N 1.856 123.045 121.223 -0.057 0.000 2.346 580 L HA 0.899 5.239 4.340 -0.001 0.000 0.274 580 L C 0.045 176.934 176.870 0.033 0.000 1.007 580 L CA -0.855 53.890 54.840 -0.158 0.000 0.818 580 L CB 1.980 43.803 42.059 -0.394 0.000 1.284 580 L HN 0.781 nan 8.230 nan 0.000 0.424 581 G N 0.131 108.959 108.800 0.048 0.000 2.519 581 G HA2 0.786 4.746 3.960 -0.001 0.000 0.307 581 G HA3 0.786 4.746 3.960 -0.001 0.000 0.307 581 G C -0.479 174.547 174.900 0.211 0.000 1.266 581 G CA -0.251 44.973 45.100 0.206 0.000 0.970 581 G HN 0.978 nan 8.290 nan 0.000 0.481 582 G N -1.221 107.691 108.800 0.186 0.000 2.353 582 G HA2 0.023 3.983 3.960 -0.001 0.000 0.615 582 G HA3 0.023 3.983 3.960 -0.001 0.000 0.615 582 G C 0.786 175.735 174.900 0.081 0.000 1.280 582 G CA 0.066 45.250 45.100 0.139 0.000 1.000 582 G HN 1.172 nan 8.290 nan 0.000 0.516 583 C N 0.796 120.126 119.300 0.050 0.000 2.432 583 C HA 0.222 4.682 4.460 -0.001 0.000 0.282 583 C C 3.075 178.038 174.990 -0.045 0.000 1.388 583 C CA 1.770 60.796 59.018 0.013 0.000 1.777 583 C CB -1.360 26.425 27.740 0.076 0.000 1.882 583 C HN 1.319 nan 8.230 nan 0.000 0.520 584 G N 1.265 109.947 108.800 -0.197 0.000 2.485 584 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.221 584 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.221 584 G C 1.445 175.967 174.900 -0.631 0.000 1.115 584 G CA 0.943 45.634 45.100 -0.682 0.000 0.751 584 G HN 0.555 nan 8.290 nan 0.000 0.567 585 N N 0.252 118.796 118.700 -0.261 0.000 2.354 585 N HA 0.039 4.778 4.740 -0.001 0.000 0.179 585 N C 0.923 176.430 175.510 -0.004 0.000 1.021 585 N CA 0.101 53.135 53.050 -0.027 0.000 0.887 585 N CB 0.035 38.565 38.487 0.071 0.000 0.974 585 N HN 0.307 nan 8.380 nan 0.000 0.437 586 I N 3.070 123.638 120.570 -0.003 0.000 2.517 586 I HA 0.029 4.199 4.170 -0.001 0.000 0.285 586 I C -1.368 174.826 176.117 0.129 0.000 1.106 586 I CA -0.873 60.454 61.300 0.045 0.000 1.402 586 I CB 1.104 39.071 38.000 -0.056 0.000 1.399 586 I HN -0.055 nan 8.210 nan 0.000 0.535 587 P HA 0.074 nan 4.420 nan 0.000 0.267 587 P C 0.158 177.542 177.300 0.140 0.000 1.289 587 P CA 0.185 63.350 63.100 0.107 0.000 0.866 587 P CB 0.310 32.032 31.700 0.038 0.000 1.309 588 T N -2.318 112.355 114.554 0.200 0.000 2.923 588 T HA 0.697 5.047 4.350 -0.001 0.000 0.281 588 T C 0.154 174.995 174.700 0.236 0.000 0.995 588 T CA -0.899 61.309 62.100 0.179 0.000 0.985 588 T CB 1.276 70.227 68.868 0.139 0.000 1.114 588 T HN 0.047 nan 8.240 nan 0.000 0.548 589 A N 1.753 124.649 122.820 0.126 0.000 2.347 589 A HA 0.593 4.913 4.320 -0.001 0.000 0.287 589 A C -0.622 176.950 177.584 -0.021 0.000 1.199 589 A CA -0.765 51.300 52.037 0.047 0.000 0.851 589 A CB -0.997 18.041 19.000 0.064 0.000 1.118 589 A HN 0.877 nan 8.150 nan 0.000 0.525 590 Y N -0.325 119.900 120.300 -0.125 0.000 2.512 590 Y HA 0.711 5.260 4.550 -0.001 0.000 0.348 590 Y C 0.714 176.495 175.900 -0.199 0.000 0.990 590 Y CA -0.700 57.154 58.100 -0.411 0.000 1.033 590 Y CB 1.372 39.426 38.460 -0.677 0.000 1.259 590 Y HN 0.388 nan 8.280 nan 0.000 0.461 591 G N 0.663 109.373 108.800 -0.149 0.000 2.673 591 G HA2 0.390 4.349 3.960 -0.001 0.000 0.208 591 G HA3 0.390 4.349 3.960 -0.001 0.000 0.208 591 G C 0.466 175.442 174.900 0.127 0.000 1.128 591 G CA 0.209 45.416 45.100 0.177 0.000 0.805 591 G HN 0.955 nan 8.290 nan 0.000 0.526 592 A N 0.699 123.418 122.820 -0.170 0.000 2.327 592 A HA 0.502 4.822 4.320 -0.001 0.000 0.255 592 A C -0.097 177.383 177.584 -0.174 0.000 1.099 592 A CA -0.478 51.328 52.037 -0.384 0.000 0.801 592 A CB 0.070 18.844 19.000 -0.378 0.000 1.062 592 A HN 0.354 nan 8.150 nan 0.000 0.496 593 N N 1.440 119.922 118.700 -0.364 0.000 2.497 593 N HA 0.282 5.022 4.740 -0.001 0.000 0.268 593 N C -2.079 173.363 175.510 -0.114 0.000 1.171 593 N CA -1.122 51.710 53.050 -0.363 0.000 0.948 593 N CB 0.504 38.850 38.487 -0.236 0.000 1.069 593 N HN 0.398 nan 8.380 nan 0.000 0.460 594 P HA 0.001 nan 4.420 nan 0.000 0.240 594 P C 0.385 177.599 177.300 -0.143 0.000 1.190 594 P CA 0.630 63.651 63.100 -0.133 0.000 0.781 594 P CB 0.336 31.955 31.700 -0.135 0.000 0.931 595 T N 0.876 115.422 114.554 -0.012 0.000 2.777 595 T HA -0.114 4.236 4.350 -0.001 0.000 0.266 595 T C 1.795 176.595 174.700 0.167 0.000 1.040 595 T CA 0.836 62.991 62.100 0.090 0.000 1.141 595 T CB -0.773 68.184 68.868 0.148 0.000 0.868 595 T HN 0.003 nan 8.240 nan 0.000 0.444 596 L N 1.232 122.566 121.223 0.185 0.000 2.012 596 L HA -0.123 4.217 4.340 -0.001 0.000 0.210 596 L C 2.565 179.521 176.870 0.143 0.000 1.073 596 L CA 1.813 56.805 54.840 0.254 0.000 0.748 596 L CB -1.144 41.047 42.059 0.221 0.000 0.891 596 L HN 0.201 nan 8.230 nan 0.000 0.431 597 T N -0.333 114.180 114.554 -0.069 0.000 2.684 597 T HA -0.211 4.138 4.350 -0.001 0.000 0.267 597 T C 1.890 176.512 174.700 -0.130 0.000 1.036 597 T CA 1.413 63.375 62.100 -0.230 0.000 1.148 597 T CB -0.585 67.723 68.868 -0.934 0.000 0.863 597 T HN 0.529 nan 8.240 nan 0.000 0.436 598 A N 1.360 124.110 122.820 -0.117 0.000 1.933 598 A HA -0.049 4.270 4.320 -0.001 0.000 0.218 598 A C 2.308 179.870 177.584 -0.038 0.000 1.175 598 A CA 1.808 53.814 52.037 -0.052 0.000 0.628 598 A CB -0.727 18.263 19.000 -0.016 0.000 0.814 598 A HN 0.541 nan 8.150 nan 0.000 0.444 599 M N -0.406 119.184 119.600 -0.016 0.000 2.159 599 M HA -0.134 4.346 4.480 -0.001 0.000 0.263 599 M C 2.084 178.310 176.300 -0.124 0.000 1.063 599 M CA 2.038 57.303 55.300 -0.058 0.000 1.110 599 M CB -0.128 32.445 32.600 -0.044 0.000 1.374 599 M HN 0.363 nan 8.290 nan 0.000 0.411 600 S N 1.088 116.712 115.700 -0.126 0.000 2.368 600 S HA -0.090 4.379 4.470 -0.001 0.000 0.225 600 S C 1.735 176.156 174.600 -0.298 0.000 1.030 600 S CA 1.337 59.395 58.200 -0.237 0.000 0.999 600 S CB -0.474 62.533 63.200 -0.321 0.000 0.844 600 S HN 0.518 nan 8.310 nan 0.000 0.459 601 L N 1.077 122.159 121.223 -0.236 0.000 2.083 601 L HA -0.121 4.219 4.340 -0.001 0.000 0.209 601 L C 2.717 179.464 176.870 -0.206 0.000 1.083 601 L CA 1.178 55.879 54.840 -0.231 0.000 0.752 601 L CB -0.660 41.326 42.059 -0.123 0.000 0.899 601 L HN 0.317 nan 8.230 nan 0.000 0.433 602 A N 0.134 122.831 122.820 -0.205 0.000 1.968 602 A HA -0.101 4.219 4.320 -0.001 0.000 0.217 602 A C 2.220 179.515 177.584 -0.482 0.000 1.169 602 A CA 1.096 52.914 52.037 -0.366 0.000 0.638 602 A CB -0.509 18.278 19.000 -0.356 0.000 0.812 602 A HN 0.335 nan 8.150 nan 0.000 0.446 603 I N -0.451 119.920 120.570 -0.333 0.000 2.226 603 I HA -0.267 3.903 4.170 -0.001 0.000 0.245 603 I C 2.529 178.491 176.117 -0.259 0.000 1.100 603 I CA 1.857 62.988 61.300 -0.281 0.000 1.374 603 I CB -0.210 37.641 38.000 -0.248 0.000 1.057 603 I HN 0.364 nan 8.210 nan 0.000 0.413 604 K N 0.509 120.754 120.400 -0.259 0.000 2.097 604 K HA -0.209 4.111 4.320 -0.001 0.000 0.206 604 K C 2.351 178.870 176.600 -0.136 0.000 1.049 604 K CA 1.686 57.850 56.287 -0.205 0.000 0.933 604 K CB -0.099 32.246 32.500 -0.258 0.000 0.717 604 K HN 0.121 nan 8.250 nan 0.000 0.442 605 S N 0.131 115.734 115.700 -0.162 0.000 2.359 605 S HA -0.192 4.277 4.470 -0.001 0.000 0.224 605 S C 2.061 176.569 174.600 -0.154 0.000 1.035 605 S CA 1.603 59.748 58.200 -0.092 0.000 1.018 605 S CB -0.526 62.665 63.200 -0.015 0.000 0.876 605 S HN 0.584 nan 8.310 nan 0.000 0.448 606 C N 1.516 120.639 119.300 -0.295 0.000 2.425 606 C HA -0.006 4.454 4.460 -0.001 0.000 0.277 606 C C 2.505 177.412 174.990 -0.138 0.000 1.280 606 C CA 0.706 59.566 59.018 -0.262 0.000 1.744 606 C CB -1.540 26.008 27.740 -0.319 0.000 1.989 606 C HN 0.680 nan 8.230 nan 0.000 0.491 607 E N -0.512 119.629 120.200 -0.098 0.000 2.085 607 E HA -0.274 4.076 4.350 -0.001 0.000 0.194 607 E C 1.830 178.440 176.600 0.017 0.000 0.994 607 E CA 1.597 57.972 56.400 -0.042 0.000 0.801 607 E CB -0.324 29.346 29.700 -0.049 0.000 0.743 607 E HN 0.852 nan 8.360 nan 0.000 0.453 608 Y N 1.109 121.374 120.300 -0.059 0.000 2.200 608 Y HA -0.177 4.372 4.550 -0.001 0.000 0.290 608 Y C 1.968 177.895 175.900 0.044 0.000 1.137 608 Y CA 1.342 59.450 58.100 0.014 0.000 1.163 608 Y CB -0.011 38.496 38.460 0.078 0.000 0.988 608 Y HN -0.059 nan 8.280 nan 0.000 0.518 609 I N 0.248 120.850 120.570 0.054 0.000 2.226 609 I HA -0.310 3.860 4.170 -0.001 0.000 0.245 609 I C 2.185 178.318 176.117 0.026 0.000 1.100 609 I CA 1.584 62.891 61.300 0.013 0.000 1.374 609 I CB -0.358 37.458 38.000 -0.306 0.000 1.057 609 I HN 0.143 nan 8.210 nan 0.000 0.413 610 K N 0.172 120.556 120.400 -0.026 0.000 2.211 610 K HA -0.126 4.194 4.320 -0.001 0.000 0.203 610 K C 1.975 178.603 176.600 0.047 0.000 1.050 610 K CA 0.807 57.143 56.287 0.081 0.000 0.945 610 K CB 0.023 32.560 32.500 0.061 0.000 0.732 610 K HN 0.310 nan 8.250 nan 0.000 0.451 611 Q N -0.107 119.652 119.800 -0.069 0.000 2.424 611 Q HA 0.056 4.396 4.340 -0.001 0.000 0.204 611 Q C 0.837 176.708 176.000 -0.214 0.000 0.933 611 Q CA 0.692 56.419 55.803 -0.125 0.000 0.929 611 Q CB 0.498 29.144 28.738 -0.153 0.000 1.037 611 Q HN 0.354 nan 8.270 nan 0.000 0.511 612 N N -1.081 117.448 118.700 -0.284 0.000 2.166 612 N HA 0.153 4.893 4.740 -0.001 0.000 0.213 612 N C -0.653 174.440 175.510 -0.694 0.000 1.222 612 N CA 0.178 52.912 53.050 -0.527 0.000 0.900 612 N CB 1.001 38.988 38.487 -0.835 0.000 1.055 612 N HN 0.002 nan 8.380 nan 0.000 0.515 613 F N 0.179 120.143 119.950 0.024 0.000 2.613 613 F HA 0.418 4.945 4.527 -0.001 0.000 0.314 613 F C 0.007 175.937 175.800 0.217 0.000 1.075 613 F CA -0.620 57.456 58.000 0.128 0.000 0.945 613 F CB 1.953 41.038 39.000 0.141 0.000 1.310 613 F HN -0.400 nan 8.300 nan 0.000 0.467 614 T N 2.276 117.046 114.554 0.361 0.000 2.824 614 T HA 0.474 4.824 4.350 -0.001 0.000 0.282 614 T C -2.727 171.998 174.700 0.041 0.000 0.993 614 T CA -1.453 60.732 62.100 0.142 0.000 0.967 614 T CB 1.791 70.695 68.868 0.059 0.000 0.960 614 T HN 0.100 nan 8.240 nan 0.000 0.441 615 P HA 0.168 nan 4.420 nan 0.000 0.269 615 P C -0.121 177.119 177.300 -0.100 0.000 1.215 615 P CA -0.421 62.464 63.100 -0.358 0.000 0.780 615 P CB 0.343 31.707 31.700 -0.561 0.000 0.898 616 S N 2.171 117.852 115.700 -0.032 0.000 2.585 616 S HA 0.348 4.818 4.470 -0.001 0.000 0.273 616 S C -2.263 172.339 174.600 0.002 0.000 1.339 616 S CA -1.132 57.067 58.200 -0.003 0.000 1.028 616 S CB -0.629 62.575 63.200 0.006 0.000 0.906 616 S HN 0.227 nan 8.310 nan 0.000 0.528 617 P HA 0.068 nan 4.420 nan 0.000 0.262 617 P C -0.422 176.926 177.300 0.081 0.000 1.182 617 P CA -0.115 63.011 63.100 0.043 0.000 0.761 617 P CB -0.023 31.693 31.700 0.027 0.000 0.795 618 F N 3.303 123.235 119.950 -0.030 0.000 2.602 618 F HA -0.008 4.519 4.527 -0.001 0.000 0.385 618 F C 1.111 176.901 175.800 -0.016 0.000 1.063 618 F CA 0.692 58.680 58.000 -0.020 0.000 1.233 618 F CB 0.240 39.230 39.000 -0.017 0.000 1.067 618 F HN 0.221 nan 8.300 nan 0.000 0.564 619 T N 0.000 114.299 114.554 -0.426 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 619 T CA 0.000 61.952 62.100 -0.247 0.000 1.349 619 T CB 0.000 68.722 68.868 -0.244 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658