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 1pu4_1_B DATA FIRST_RESID 57 DATA SEQUENCE SQLFADLSRE ELTAVMRFLT QRLGPGLVDA AQARPSDNCV FSVELQLPPK DATA SEQUENCE AAALAHLDRG SPPPAREALA IVFFGRQPQP NVSELVVGPL PHPSYMRDVT DATA SEQUENCE VERHGGPLPY HRRPVLFQEY LDIDQMIFNR ELPQASGLLH HCCFYKXRGR DATA SEQUENCE NLVTMTTAPR GLQSGDRATW FGLYYNISGA GFFLHHVGLE LLVNHKALDP DATA SEQUENCE ARWTIQKVFY QGRYYDSLAQ LEAQFEAGLV NVVLIPDNGT GGSWSLKSPV DATA SEQUENCE PPGPAPPLQF YPQGPRFSVQ GSRVASSLWT FSFGLGAFSG PRIFDVRFQG DATA SEQUENCE ERLVYEISLQ EALAIYGGNS PAAMTTRYVD GGFGMGKYTT PLTRGVDcPY DATA SEQUENCE LATYVDWHFL LESQAPKTIR DAFcVFEQNQ GLPLRRHHSD LYSHYFGGLA DATA SEQUENCE ETVLVVRSMS TLLNXDYVWD TVFHPSGAIE IRFYATGYIS SAFLFGATGK DATA SEQUENCE YGNQVSEHTL GTVHTHSAHF KVDLDVAGLE NWVWAEDMVF VPMAVPWSPE DATA SEQUENCE HQLQRLQVTR KLLEMEEQAA FLVGSATPRY LYLASNHSNK WGHPRGYRIQ DATA SEQUENCE MLSFAGEPLP QNSSMARGFS WERYQLAVTQ RKEEEPSSSS VFNQNDPWAP DATA SEQUENCE TVDFSDFINN ETIAGKDLVA WVTAGFLHIP HAEDIPNTVT VGNGVGFFLR DATA SEQUENCE PYNFFDEDPS FYSADSIYFR GDQDAGAcEV NPLAcXXXXX ACAPDLPAFS DATA SEQUENCE HGGFS 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 57 S HA 0.000 nan 4.470 nan 0.000 0.327 57 S C 0.000 174.565 174.600 -0.059 0.000 1.055 57 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 57 S CB 0.000 63.179 63.200 -0.035 0.000 0.593 58 Q N 4.341 124.111 119.800 -0.051 0.000 3.041 58 Q HA 0.273 4.613 4.340 -0.000 0.000 0.372 58 Q C 1.082 176.979 176.000 -0.171 0.000 1.241 58 Q CA -0.184 55.573 55.803 -0.077 0.000 1.010 58 Q CB 0.176 28.881 28.738 -0.055 0.000 1.467 58 Q HN 0.699 nan 8.270 nan 0.000 0.462 59 L N -0.616 120.384 121.223 -0.372 0.000 2.291 59 L HA -0.059 4.281 4.340 -0.000 0.000 0.214 59 L C 0.718 177.170 176.870 -0.696 0.000 1.120 59 L CA 1.110 55.565 54.840 -0.641 0.000 0.799 59 L CB 0.032 41.371 42.059 -1.200 0.000 0.925 59 L HN 0.363 nan 8.230 nan 0.000 0.446 60 F N -0.400 119.431 119.950 -0.199 0.000 2.708 60 F HA 0.355 4.882 4.527 -0.000 0.000 0.300 60 F C 0.984 176.677 175.800 -0.178 0.000 1.118 60 F CA -0.738 57.080 58.000 -0.303 0.000 1.307 60 F CB -0.223 38.514 39.000 -0.439 0.000 0.986 60 F HN -0.181 nan 8.300 nan 0.000 0.522 61 A N 0.474 123.277 122.820 -0.028 0.000 2.309 61 A HA 0.292 4.612 4.320 -0.000 0.000 0.290 61 A C 0.248 177.819 177.584 -0.022 0.000 1.206 61 A CA -0.693 51.310 52.037 -0.056 0.000 0.850 61 A CB 0.001 18.951 19.000 -0.083 0.000 1.118 61 A HN 0.192 nan 8.150 nan 0.000 0.523 62 D N 1.431 121.843 120.400 0.019 0.000 2.461 62 D HA -0.021 4.619 4.640 -0.000 0.000 0.231 62 D C 0.338 176.639 176.300 0.001 0.000 1.208 62 D CA 0.656 54.700 54.000 0.073 0.000 0.879 62 D CB 0.434 41.356 40.800 0.204 0.000 1.220 62 D HN 0.452 nan 8.370 nan 0.000 0.480 63 L N 1.206 122.419 121.223 -0.018 0.000 2.453 63 L HA 0.002 4.341 4.340 -0.000 0.000 0.272 63 L C 1.449 178.298 176.870 -0.035 0.000 1.182 63 L CA -0.260 54.554 54.840 -0.043 0.000 0.858 63 L CB 0.475 42.498 42.059 -0.060 0.000 1.120 63 L HN 0.456 nan 8.230 nan 0.000 0.474 64 S N 3.365 119.046 115.700 -0.030 0.000 2.606 64 S HA 0.142 4.612 4.470 -0.000 0.000 0.257 64 S C 1.076 175.615 174.600 -0.102 0.000 1.327 64 S CA -0.466 57.723 58.200 -0.017 0.000 0.984 64 S CB 0.788 63.958 63.200 -0.049 0.000 0.941 64 S HN 0.621 nan 8.310 nan 0.000 0.576 65 R N 0.422 120.795 120.500 -0.212 0.000 2.115 65 R HA -0.026 4.314 4.340 -0.000 0.000 0.226 65 R C 2.060 178.250 176.300 -0.184 0.000 1.100 65 R CA 1.368 57.309 56.100 -0.265 0.000 0.980 65 R CB -0.446 29.615 30.300 -0.398 0.000 0.875 65 R HN 0.652 nan 8.270 nan 0.000 0.445 66 E N 1.233 121.340 120.200 -0.155 0.000 2.051 66 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 66 E C 1.778 178.306 176.600 -0.121 0.000 0.991 66 E CA 1.234 57.558 56.400 -0.126 0.000 0.799 66 E CB -0.089 29.542 29.700 -0.115 0.000 0.748 66 E HN 0.357 nan 8.360 nan 0.000 0.449 67 E N 0.111 120.240 120.200 -0.119 0.000 2.110 67 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 67 E C 2.095 178.632 176.600 -0.104 0.000 0.988 67 E CA 0.707 57.038 56.400 -0.115 0.000 0.804 67 E CB -0.115 29.524 29.700 -0.101 0.000 0.745 67 E HN 0.232 nan 8.360 nan 0.000 0.458 68 L N 0.561 121.719 121.223 -0.109 0.000 2.023 68 L HA -0.153 4.187 4.340 -0.000 0.000 0.205 68 L C 2.679 179.497 176.870 -0.087 0.000 1.073 68 L CA 1.518 56.296 54.840 -0.103 0.000 0.745 68 L CB -0.772 41.205 42.059 -0.137 0.000 0.900 68 L HN 0.168 nan 8.230 nan 0.000 0.435 69 T N -0.270 114.226 114.554 -0.096 0.000 2.699 69 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 69 T C 1.998 176.674 174.700 -0.040 0.000 1.036 69 T CA 1.244 63.301 62.100 -0.072 0.000 1.147 69 T CB -0.539 68.282 68.868 -0.078 0.000 0.862 69 T HN 0.410 nan 8.240 nan 0.000 0.446 70 A N 1.085 123.874 122.820 -0.052 0.000 1.908 70 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 70 A C 2.623 180.219 177.584 0.019 0.000 1.181 70 A CA 1.562 53.582 52.037 -0.028 0.000 0.627 70 A CB -1.066 17.881 19.000 -0.088 0.000 0.818 70 A HN 0.389 nan 8.150 nan 0.000 0.445 71 V N -0.867 119.036 119.914 -0.019 0.000 2.667 71 V HA -0.199 3.920 4.120 -0.000 0.000 0.252 71 V C 2.482 178.613 176.094 0.061 0.000 1.065 71 V CA 2.078 64.374 62.300 -0.006 0.000 1.083 71 V CB -0.474 31.314 31.823 -0.058 0.000 0.692 71 V HN 0.654 nan 8.190 nan 0.000 0.468 72 M N 0.929 120.548 119.600 0.032 0.000 2.193 72 M HA -0.075 4.405 4.480 -0.000 0.000 0.265 72 M C 2.282 178.621 176.300 0.066 0.000 1.071 72 M CA 1.805 57.128 55.300 0.038 0.000 1.140 72 M CB -0.650 31.948 32.600 -0.003 0.000 1.369 72 M HN 0.358 nan 8.290 nan 0.000 0.423 73 R N -0.896 119.640 120.500 0.060 0.000 2.083 73 R HA -0.204 4.136 4.340 -0.000 0.000 0.237 73 R C 2.188 178.545 176.300 0.095 0.000 1.137 73 R CA 2.095 58.230 56.100 0.057 0.000 0.951 73 R CB -1.561 28.762 30.300 0.038 0.000 0.851 73 R HN 0.404 nan 8.270 nan 0.000 0.434 74 F N 1.498 121.446 119.950 -0.003 0.000 2.120 74 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 74 F C 2.057 177.871 175.800 0.023 0.000 1.095 74 F CA 1.685 59.689 58.000 0.007 0.000 1.249 74 F CB -0.044 38.950 39.000 -0.010 0.000 0.995 74 F HN -0.003 nan 8.300 nan 0.000 0.480 75 L N -0.838 120.587 121.223 0.336 0.000 2.056 75 L HA -0.217 4.123 4.340 -0.000 0.000 0.207 75 L C 2.347 179.303 176.870 0.144 0.000 1.078 75 L CA 1.623 56.615 54.840 0.254 0.000 0.749 75 L CB -1.072 41.091 42.059 0.173 0.000 0.901 75 L HN 0.134 nan 8.230 nan 0.000 0.433 76 T N -0.210 114.399 114.554 0.093 0.000 2.607 76 T HA -0.314 4.036 4.350 -0.000 0.000 0.267 76 T C 1.771 176.489 174.700 0.029 0.000 1.049 76 T CA 2.012 64.145 62.100 0.055 0.000 1.162 76 T CB -0.415 68.474 68.868 0.035 0.000 0.863 76 T HN 0.519 nan 8.240 nan 0.000 0.424 77 Q N 0.878 120.667 119.800 -0.017 0.000 2.291 77 Q HA -0.093 4.247 4.340 -0.000 0.000 0.206 77 Q C 1.582 177.540 176.000 -0.070 0.000 0.976 77 Q CA 1.241 57.005 55.803 -0.066 0.000 0.875 77 Q CB -0.135 28.529 28.738 -0.124 0.000 0.927 77 Q HN 0.425 nan 8.270 nan 0.000 0.450 78 R N -0.222 120.256 120.500 -0.037 0.000 2.565 78 R HA 0.346 4.686 4.340 -0.000 0.000 0.347 78 R C 0.785 177.144 176.300 0.097 0.000 1.010 78 R CA -0.105 55.996 56.100 0.002 0.000 1.126 78 R CB 0.731 31.005 30.300 -0.044 0.000 1.331 78 R HN 0.213 nan 8.270 nan 0.000 0.552 79 L N 0.299 121.594 121.223 0.120 0.000 2.857 79 L HA 0.309 4.649 4.340 -0.000 0.000 0.249 79 L C 0.241 177.212 176.870 0.169 0.000 1.172 79 L CA -0.213 54.742 54.840 0.193 0.000 0.980 79 L CB 0.968 43.164 42.059 0.228 0.000 1.299 79 L HN 0.304 nan 8.230 nan 0.000 0.535 80 G N 0.929 109.790 108.800 0.102 0.000 2.777 80 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.686 80 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.686 80 G C -2.842 172.104 174.900 0.078 0.000 1.177 80 G CA -1.200 43.947 45.100 0.079 0.000 0.775 80 G HN -0.009 nan 8.290 nan 0.000 0.613 81 P HA 0.487 nan 4.420 nan 0.000 0.273 81 P C 1.024 178.362 177.300 0.063 0.000 1.250 81 P CA 1.461 64.593 63.100 0.053 0.000 0.793 81 P CB 0.591 32.312 31.700 0.036 0.000 1.011 82 G N -0.213 108.623 108.800 0.060 0.000 2.204 82 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.244 82 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.244 82 G C -0.431 174.522 174.900 0.089 0.000 1.062 82 G CA -0.471 44.669 45.100 0.068 0.000 0.798 82 G HN 0.567 nan 8.290 nan 0.000 0.496 83 L N 1.429 122.703 121.223 0.085 0.000 2.277 83 L HA 0.646 4.986 4.340 -0.000 0.000 0.284 83 L C 0.201 177.119 176.870 0.081 0.000 1.028 83 L CA -0.471 54.427 54.840 0.096 0.000 0.835 83 L CB 1.270 43.385 42.059 0.093 0.000 1.215 83 L HN -0.026 nan 8.230 nan 0.000 0.425 84 V N 3.862 123.830 119.914 0.090 0.000 2.567 84 V HA 0.151 4.271 4.120 -0.000 0.000 0.289 84 V C 0.174 176.317 176.094 0.082 0.000 1.049 84 V CA -0.854 61.497 62.300 0.085 0.000 0.969 84 V CB 1.733 33.615 31.823 0.098 0.000 0.995 84 V HN 0.740 nan 8.190 nan 0.000 0.471 85 D N 3.177 123.621 120.400 0.074 0.000 2.493 85 D HA 0.180 4.820 4.640 -0.000 0.000 0.240 85 D C 1.056 177.414 176.300 0.095 0.000 1.142 85 D CA 0.640 54.682 54.000 0.070 0.000 0.872 85 D CB 1.567 42.405 40.800 0.062 0.000 1.173 85 D HN 0.643 nan 8.370 nan 0.000 0.467 86 A N 4.153 127.027 122.820 0.089 0.000 1.933 86 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 86 A C 2.134 179.825 177.584 0.177 0.000 1.175 86 A CA 1.711 53.820 52.037 0.120 0.000 0.628 86 A CB -0.838 18.211 19.000 0.081 0.000 0.814 86 A HN 0.722 nan 8.150 nan 0.000 0.444 87 A N -1.195 121.724 122.820 0.165 0.000 2.121 87 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 87 A C 1.902 179.649 177.584 0.272 0.000 1.154 87 A CA 1.437 53.615 52.037 0.235 0.000 0.679 87 A CB -0.276 18.819 19.000 0.159 0.000 0.795 87 A HN 0.667 nan 8.150 nan 0.000 0.458 88 Q N -1.091 118.824 119.800 0.193 0.000 2.189 88 Q HA 0.369 4.709 4.340 -0.000 0.000 0.223 88 Q C 0.480 176.569 176.000 0.147 0.000 0.828 88 Q CA 0.120 56.021 55.803 0.163 0.000 0.967 88 Q CB 0.483 29.295 28.738 0.123 0.000 1.139 88 Q HN 0.564 nan 8.270 nan 0.000 0.497 89 A N 1.621 124.541 122.820 0.167 0.000 2.445 89 A HA 0.280 4.600 4.320 -0.000 0.000 0.242 89 A C 0.123 177.807 177.584 0.167 0.000 1.075 89 A CA -0.074 52.063 52.037 0.167 0.000 0.777 89 A CB 0.391 19.511 19.000 0.199 0.000 1.013 89 A HN 0.041 nan 8.150 nan 0.000 0.493 90 R N 1.589 122.177 120.500 0.146 0.000 2.596 90 R HA 0.373 4.713 4.340 -0.000 0.000 0.267 90 R C -1.915 174.501 176.300 0.194 0.000 1.026 90 R CA -2.499 53.681 56.100 0.133 0.000 1.087 90 R CB -0.491 29.852 30.300 0.071 0.000 1.132 90 R HN 0.393 nan 8.270 nan 0.000 0.531 91 P HA -0.164 nan 4.420 nan 0.000 0.216 91 P C 0.817 178.309 177.300 0.320 0.000 1.150 91 P CA 1.624 64.907 63.100 0.305 0.000 0.843 91 P CB 0.203 32.091 31.700 0.312 0.000 0.787 92 S N -2.495 113.317 115.700 0.187 0.000 2.671 92 S HA 0.062 4.531 4.470 -0.000 0.000 0.220 92 S C 0.446 175.118 174.600 0.120 0.000 0.951 92 S CA -0.342 57.928 58.200 0.116 0.000 0.932 92 S CB -0.780 62.457 63.200 0.061 0.000 0.777 92 S HN -0.058 nan 8.310 nan 0.000 0.508 93 D N 1.912 122.418 120.400 0.176 0.000 2.432 93 D HA 0.386 5.026 4.640 -0.000 0.000 0.258 93 D C -0.323 176.111 176.300 0.223 0.000 1.146 93 D CA -0.480 53.624 54.000 0.173 0.000 1.015 93 D CB 0.508 41.407 40.800 0.165 0.000 1.107 93 D HN 0.384 nan 8.370 nan 0.000 0.529 94 N N -0.784 118.036 118.700 0.200 0.000 2.466 94 N HA 0.600 5.340 4.740 -0.000 0.000 0.294 94 N C -1.159 174.436 175.510 0.141 0.000 1.129 94 N CA -0.455 52.718 53.050 0.205 0.000 0.931 94 N CB 1.571 40.214 38.487 0.259 0.000 1.193 94 N HN 0.152 nan 8.380 nan 0.000 0.500 95 C N 1.741 121.083 119.300 0.070 0.000 2.989 95 C HA 0.213 4.673 4.460 -0.000 0.000 0.397 95 C C -1.141 173.816 174.990 -0.054 0.000 1.022 95 C CA -0.588 58.459 59.018 0.048 0.000 1.232 95 C CB 0.477 28.295 27.740 0.129 0.000 1.638 95 C HN 0.455 nan 8.230 nan 0.000 0.534 96 V N 6.208 126.102 119.914 -0.033 0.000 2.348 96 V HA 0.261 4.381 4.120 -0.000 0.000 0.270 96 V C 0.566 176.630 176.094 -0.050 0.000 1.037 96 V CA -0.029 62.248 62.300 -0.038 0.000 0.872 96 V CB 0.835 32.657 31.823 -0.001 0.000 1.002 96 V HN 0.868 nan 8.190 nan 0.000 0.464 97 F N 3.921 123.677 119.950 -0.323 0.000 2.270 97 F HA 0.186 4.713 4.527 -0.000 0.000 0.295 97 F C 1.237 176.993 175.800 -0.074 0.000 1.087 97 F CA 0.910 58.673 58.000 -0.396 0.000 1.365 97 F CB 0.469 38.940 39.000 -0.882 0.000 1.056 97 F HN 0.547 nan 8.300 nan 0.000 0.506 98 S N 0.183 115.871 115.700 -0.019 0.000 2.546 98 S HA 0.686 5.156 4.470 -0.000 0.000 0.272 98 S C -1.631 173.008 174.600 0.066 0.000 1.140 98 S CA -0.590 57.608 58.200 -0.002 0.000 0.920 98 S CB 1.408 64.748 63.200 0.233 0.000 1.083 98 S HN -0.081 nan 8.310 nan 0.000 0.476 99 V N 3.492 123.425 119.914 0.032 0.000 2.638 99 V HA 0.822 4.942 4.120 -0.000 0.000 0.306 99 V C -0.549 175.563 176.094 0.030 0.000 1.052 99 V CA -0.379 61.945 62.300 0.040 0.000 0.885 99 V CB 1.331 33.156 31.823 0.003 0.000 0.999 99 V HN 1.101 nan 8.190 nan 0.000 0.424 100 E N 3.987 124.224 120.200 0.062 0.000 2.437 100 E HA 0.571 4.921 4.350 -0.000 0.000 0.280 100 E C -1.298 175.346 176.600 0.074 0.000 1.044 100 E CA -1.201 55.235 56.400 0.060 0.000 0.826 100 E CB 1.695 31.452 29.700 0.095 0.000 1.358 100 E HN 0.425 nan 8.360 nan 0.000 0.459 101 L N 1.682 122.949 121.223 0.072 0.000 2.559 101 L HA 0.112 4.452 4.340 -0.000 0.000 0.274 101 L C -0.284 176.646 176.870 0.100 0.000 1.205 101 L CA 0.785 55.664 54.840 0.066 0.000 0.907 101 L CB 0.448 42.548 42.059 0.068 0.000 1.153 101 L HN 0.682 nan 8.230 nan 0.000 0.490 102 Q N 4.668 124.516 119.800 0.081 0.000 2.331 102 Q HA 0.433 4.773 4.340 -0.000 0.000 0.257 102 Q C -1.085 174.962 176.000 0.078 0.000 0.957 102 Q CA -0.137 55.726 55.803 0.100 0.000 0.923 102 Q CB 0.632 29.427 28.738 0.094 0.000 1.212 102 Q HN 0.751 nan 8.270 nan 0.000 0.443 103 L N 6.551 127.837 121.223 0.104 0.000 2.483 103 L HA 0.300 4.640 4.340 -0.000 0.000 0.276 103 L C -1.651 175.268 176.870 0.082 0.000 1.213 103 L CA -1.581 53.309 54.840 0.082 0.000 0.843 103 L CB 0.071 42.216 42.059 0.143 0.000 1.107 103 L HN 0.683 nan 8.230 nan 0.000 0.487 104 P HA 0.242 nan 4.420 nan 0.000 0.276 104 P C -2.620 174.752 177.300 0.121 0.000 1.252 104 P CA -1.463 61.669 63.100 0.055 0.000 0.802 104 P CB -0.244 31.444 31.700 -0.020 0.000 1.035 105 P HA 0.184 nan 4.420 nan 0.000 0.275 105 P C 0.672 178.020 177.300 0.080 0.000 1.228 105 P CA -0.241 62.905 63.100 0.077 0.000 0.786 105 P CB 1.260 32.985 31.700 0.042 0.000 0.927 106 K N 1.847 122.253 120.400 0.009 0.000 2.062 106 K HA -0.100 4.219 4.320 -0.000 0.000 0.205 106 K C 1.956 178.525 176.600 -0.052 0.000 1.051 106 K CA 1.269 57.483 56.287 -0.122 0.000 0.941 106 K CB -0.561 31.692 32.500 -0.410 0.000 0.719 106 K HN 0.488 nan 8.250 nan 0.000 0.440 107 A N 1.494 124.292 122.820 -0.036 0.000 1.873 107 A HA -0.306 4.013 4.320 -0.000 0.000 0.219 107 A C 2.368 179.972 177.584 0.034 0.000 1.269 107 A CA 2.781 54.815 52.037 -0.005 0.000 0.671 107 A CB -1.390 17.608 19.000 -0.004 0.000 0.842 107 A HN 0.501 nan 8.150 nan 0.000 0.460 108 A N -1.034 121.812 122.820 0.043 0.000 1.972 108 A HA 0.193 4.513 4.320 -0.000 0.000 0.219 108 A C 2.494 180.136 177.584 0.096 0.000 1.169 108 A CA 2.265 54.338 52.037 0.060 0.000 0.635 108 A CB -0.993 18.034 19.000 0.045 0.000 0.810 108 A HN 1.262 nan 8.150 nan 0.000 0.446 109 A N -0.175 122.713 122.820 0.113 0.000 1.873 109 A HA 0.004 4.324 4.320 -0.000 0.000 0.215 109 A C 2.162 179.842 177.584 0.162 0.000 1.186 109 A CA 1.458 53.580 52.037 0.141 0.000 0.616 109 A CB -0.587 18.582 19.000 0.282 0.000 0.823 109 A HN 0.455 nan 8.150 nan 0.000 0.442 110 L N -0.745 120.586 121.223 0.180 0.000 2.056 110 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 110 L C 3.094 180.036 176.870 0.121 0.000 1.078 110 L CA 0.832 55.769 54.840 0.163 0.000 0.749 110 L CB -0.717 41.420 42.059 0.130 0.000 0.901 110 L HN 0.432 nan 8.230 nan 0.000 0.433 111 A N 0.204 123.088 122.820 0.106 0.000 1.909 111 A HA -0.388 3.932 4.320 -0.000 0.000 0.221 111 A C 2.246 179.918 177.584 0.148 0.000 1.223 111 A CA 2.741 54.839 52.037 0.102 0.000 0.658 111 A CB -1.056 17.994 19.000 0.084 0.000 0.831 111 A HN 0.597 nan 8.150 nan 0.000 0.462 112 H N -0.134 118.960 119.070 0.040 0.000 2.307 112 H HA 0.078 4.634 4.556 -0.000 0.000 0.303 112 H C 1.774 177.128 175.328 0.043 0.000 1.073 112 H CA 1.944 58.008 56.048 0.027 0.000 1.338 112 H CB -0.678 29.084 29.762 0.000 0.000 1.389 112 H HN 0.356 nan 8.280 nan 0.000 0.503 113 L N 0.050 121.242 121.223 -0.051 0.000 2.141 113 L HA -0.089 4.251 4.340 -0.000 0.000 0.209 113 L C 1.724 178.623 176.870 0.047 0.000 1.094 113 L CA 1.448 56.232 54.840 -0.093 0.000 0.763 113 L CB -0.125 41.911 42.059 -0.039 0.000 0.908 113 L HN 0.276 nan 8.230 nan 0.000 0.437 114 D N -0.659 119.792 120.400 0.084 0.000 2.525 114 D HA 0.016 4.656 4.640 -0.000 0.000 0.248 114 D C 1.613 177.960 176.300 0.079 0.000 1.000 114 D CA 0.561 54.611 54.000 0.083 0.000 0.923 114 D CB 0.193 41.046 40.800 0.088 0.000 1.101 114 D HN 0.084 nan 8.370 nan 0.000 0.493 115 R N 0.027 120.579 120.500 0.086 0.000 2.515 115 R HA 0.332 4.672 4.340 -0.000 0.000 0.294 115 R C 1.100 177.446 176.300 0.077 0.000 1.021 115 R CA 0.394 56.537 56.100 0.072 0.000 1.081 115 R CB 0.401 30.738 30.300 0.062 0.000 1.263 115 R HN 0.170 nan 8.270 nan 0.000 0.557 116 G N -0.196 108.668 108.800 0.107 0.000 2.228 116 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.270 116 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.270 116 G C 0.454 175.391 174.900 0.062 0.000 0.976 116 G CA 0.697 45.855 45.100 0.097 0.000 0.636 116 G HN 0.396 nan 8.290 nan 0.000 0.542 117 S N 2.153 117.889 115.700 0.061 0.000 2.564 117 S HA 0.355 4.825 4.470 -0.000 0.000 0.263 117 S C -1.317 173.234 174.600 -0.082 0.000 1.378 117 S CA 0.312 58.519 58.200 0.013 0.000 0.996 117 S CB 0.637 63.861 63.200 0.039 0.000 0.881 117 S HN 0.508 nan 8.310 nan 0.000 0.555 118 P HA 0.282 nan 4.420 nan 0.000 0.274 118 P C -2.626 174.528 177.300 -0.243 0.000 1.231 118 P CA -1.646 61.325 63.100 -0.215 0.000 0.790 118 P CB -0.571 31.060 31.700 -0.115 0.000 0.951 119 P HA 0.209 nan 4.420 nan 0.000 0.269 119 P C -2.383 174.905 177.300 -0.020 0.000 1.215 119 P CA -1.068 61.960 63.100 -0.120 0.000 0.780 119 P CB -1.079 30.564 31.700 -0.093 0.000 0.898 120 P HA 0.193 nan 4.420 nan 0.000 0.274 120 P C -0.445 176.858 177.300 0.004 0.000 1.231 120 P CA -0.401 62.707 63.100 0.013 0.000 0.790 120 P CB 0.231 31.942 31.700 0.019 0.000 0.951 121 A N 2.728 125.562 122.820 0.025 0.000 2.566 121 A HA -0.006 4.314 4.320 -0.000 0.000 0.245 121 A C 0.534 178.129 177.584 0.018 0.000 1.056 121 A CA 0.095 52.157 52.037 0.042 0.000 0.757 121 A CB -0.605 18.463 19.000 0.114 0.000 0.979 121 A HN 0.466 nan 8.150 nan 0.000 0.508 122 R N 2.169 122.661 120.500 -0.013 0.000 2.288 122 R HA 0.206 4.546 4.340 -0.000 0.000 0.330 122 R C -0.311 175.965 176.300 -0.039 0.000 1.069 122 R CA 0.307 56.384 56.100 -0.038 0.000 0.941 122 R CB 0.226 30.489 30.300 -0.061 0.000 0.998 122 R HN 0.867 nan 8.270 nan 0.000 0.452 123 E N 1.590 121.780 120.200 -0.017 0.000 2.281 123 E HA 0.604 4.954 4.350 -0.000 0.000 0.262 123 E C -1.068 175.520 176.600 -0.019 0.000 0.933 123 E CA -1.126 55.261 56.400 -0.021 0.000 0.809 123 E CB 1.840 31.577 29.700 0.061 0.000 1.242 123 E HN 0.525 nan 8.360 nan 0.000 0.418 124 A N 1.301 124.101 122.820 -0.034 0.000 2.330 124 A HA 0.692 5.012 4.320 -0.000 0.000 0.329 124 A C -1.269 176.339 177.584 0.041 0.000 1.135 124 A CA -0.684 51.350 52.037 -0.004 0.000 0.817 124 A CB 0.870 19.847 19.000 -0.039 0.000 1.269 124 A HN 0.529 nan 8.150 nan 0.000 0.469 125 L N 1.382 122.655 121.223 0.083 0.000 2.343 125 L HA 0.717 5.057 4.340 -0.000 0.000 0.278 125 L C -0.017 176.939 176.870 0.144 0.000 0.996 125 L CA -0.296 54.621 54.840 0.127 0.000 0.831 125 L CB 1.392 43.553 42.059 0.170 0.000 1.232 125 L HN 0.820 nan 8.230 nan 0.000 0.413 126 A N 6.473 129.375 122.820 0.136 0.000 2.288 126 A HA 0.668 4.988 4.320 -0.000 0.000 0.320 126 A C -0.564 177.133 177.584 0.188 0.000 1.217 126 A CA -0.524 51.597 52.037 0.140 0.000 0.840 126 A CB 0.523 19.581 19.000 0.097 0.000 1.179 126 A HN 0.695 nan 8.150 nan 0.000 0.504 127 I N 2.736 123.446 120.570 0.232 0.000 2.365 127 I HA 0.365 4.535 4.170 -0.000 0.000 0.291 127 I C -0.710 175.512 176.117 0.175 0.000 1.004 127 I CA -0.497 60.980 61.300 0.296 0.000 1.311 127 I CB 1.622 39.908 38.000 0.475 0.000 1.401 127 I HN 0.278 nan 8.210 nan 0.000 0.491 128 V N 6.802 126.789 119.914 0.121 0.000 2.483 128 V HA 0.331 4.451 4.120 -0.000 0.000 0.297 128 V C -0.460 175.656 176.094 0.038 0.000 1.027 128 V CA -0.614 61.624 62.300 -0.103 0.000 0.855 128 V CB 1.657 33.228 31.823 -0.421 0.000 0.995 128 V HN 0.334 nan 8.190 nan 0.000 0.424 129 F N 4.818 124.708 119.950 -0.100 0.000 2.434 129 F HA 0.434 4.961 4.527 -0.000 0.000 0.358 129 F C 0.145 175.982 175.800 0.061 0.000 1.136 129 F CA -1.288 56.750 58.000 0.063 0.000 1.157 129 F CB 0.223 39.282 39.000 0.099 0.000 1.167 129 F HN 0.343 nan 8.300 nan 0.000 0.539 130 F N 2.138 122.341 119.950 0.421 0.000 2.499 130 F HA 0.328 4.855 4.527 -0.000 0.000 0.353 130 F C 1.374 177.166 175.800 -0.013 0.000 1.196 130 F CA -0.675 57.441 58.000 0.192 0.000 1.244 130 F CB 0.481 39.547 39.000 0.111 0.000 1.577 130 F HN 0.559 nan 8.300 nan 0.000 0.614 131 G N 1.548 110.457 108.800 0.182 0.000 2.539 131 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.215 131 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.215 131 G C 1.118 175.977 174.900 -0.069 0.000 1.141 131 G CA -0.374 44.651 45.100 -0.126 0.000 0.806 131 G HN 0.410 nan 8.290 nan 0.000 0.533 132 R N 1.297 121.832 120.500 0.059 0.000 3.688 132 R HA 0.234 4.574 4.340 -0.000 0.000 0.194 132 R C -0.339 175.966 176.300 0.008 0.000 1.677 132 R CA -0.018 56.108 56.100 0.044 0.000 1.351 132 R CB -0.626 29.726 30.300 0.087 0.000 1.338 132 R HN 0.466 nan 8.270 nan 0.000 0.731 133 Q N 1.223 121.000 119.800 -0.039 0.000 2.791 133 Q HA 0.195 4.535 4.340 -0.000 0.000 0.280 133 Q C -2.570 173.393 176.000 -0.063 0.000 0.928 133 Q CA -1.589 54.184 55.803 -0.050 0.000 0.819 133 Q CB 0.807 29.507 28.738 -0.063 0.000 1.552 133 Q HN 0.070 nan 8.270 nan 0.000 0.410 134 P HA -0.242 nan 4.420 nan 0.000 0.216 134 P C -0.245 177.021 177.300 -0.057 0.000 1.167 134 P CA 1.657 64.730 63.100 -0.045 0.000 0.933 134 P CB 0.175 31.853 31.700 -0.037 0.000 0.793 135 Q N -0.309 119.452 119.800 -0.064 0.000 2.413 135 Q HA 0.352 4.692 4.340 -0.000 0.000 0.258 135 Q C -2.541 173.398 176.000 -0.102 0.000 1.037 135 Q CA -1.832 53.929 55.803 -0.070 0.000 0.764 135 Q CB 1.396 30.107 28.738 -0.046 0.000 1.217 135 Q HN 0.145 nan 8.270 nan 0.000 0.490 136 P HA 0.089 nan 4.420 nan 0.000 0.276 136 P C -1.128 176.086 177.300 -0.142 0.000 1.230 136 P CA -0.417 62.493 63.100 -0.318 0.000 0.776 136 P CB 0.773 31.975 31.700 -0.829 0.000 0.888 137 N N 0.913 119.631 118.700 0.030 0.000 2.531 137 N HA 0.587 5.326 4.740 -0.000 0.000 0.290 137 N C -1.243 174.444 175.510 0.296 0.000 1.257 137 N CA -0.991 52.141 53.050 0.137 0.000 0.863 137 N CB 0.704 39.254 38.487 0.104 0.000 1.320 137 N HN -0.002 nan 8.380 nan 0.000 0.538 138 V N -0.387 119.606 119.914 0.131 0.000 2.630 138 V HA 0.697 4.817 4.120 -0.000 0.000 0.305 138 V C -0.287 175.882 176.094 0.125 0.000 1.046 138 V CA -0.607 61.766 62.300 0.123 0.000 0.934 138 V CB 1.409 33.176 31.823 -0.094 0.000 1.003 138 V HN 0.801 nan 8.190 nan 0.000 0.451 139 S N 1.882 117.714 115.700 0.221 0.000 2.547 139 S HA 0.466 4.936 4.470 -0.000 0.000 0.281 139 S C -0.972 173.774 174.600 0.243 0.000 1.118 139 S CA -0.832 57.517 58.200 0.248 0.000 0.947 139 S CB 1.575 65.031 63.200 0.426 0.000 1.053 139 S HN 0.815 nan 8.310 nan 0.000 0.482 140 E N 2.769 123.117 120.200 0.246 0.000 2.156 140 E HA 0.521 4.871 4.350 -0.000 0.000 0.279 140 E C -1.127 175.604 176.600 0.219 0.000 0.965 140 E CA -0.613 55.943 56.400 0.259 0.000 0.789 140 E CB 1.226 31.108 29.700 0.303 0.000 1.098 140 E HN 0.377 nan 8.360 nan 0.000 0.397 141 L N 2.379 123.721 121.223 0.199 0.000 2.356 141 L HA 0.420 4.760 4.340 -0.000 0.000 0.277 141 L C -0.332 176.623 176.870 0.143 0.000 0.996 141 L CA -1.306 53.639 54.840 0.175 0.000 0.822 141 L CB 1.722 43.892 42.059 0.185 0.000 1.256 141 L HN 0.293 nan 8.230 nan 0.000 0.413 142 V N 3.791 123.788 119.914 0.138 0.000 2.583 142 V HA 0.336 4.456 4.120 -0.000 0.000 0.287 142 V C 0.099 176.247 176.094 0.089 0.000 1.051 142 V CA -0.376 61.998 62.300 0.123 0.000 1.010 142 V CB 1.743 33.656 31.823 0.150 0.000 0.988 142 V HN 0.477 nan 8.190 nan 0.000 0.478 143 V N 4.023 123.922 119.914 -0.025 0.000 2.524 143 V HA 0.903 5.022 4.120 -0.000 0.000 0.297 143 V C 0.342 176.178 176.094 -0.431 0.000 1.035 143 V CA 0.113 62.253 62.300 -0.266 0.000 0.867 143 V CB 1.324 32.975 31.823 -0.287 0.000 1.004 143 V HN 1.093 nan 8.190 nan 0.000 0.426 144 G N 5.499 113.741 108.800 -0.928 0.000 2.663 144 G HA2 0.827 4.787 3.960 -0.000 0.000 0.299 144 G HA3 0.827 4.787 3.960 -0.000 0.000 0.299 144 G C -3.481 170.589 174.900 -1.383 0.000 1.372 144 G CA -1.193 43.333 45.100 -0.957 0.000 0.781 144 G HN 0.469 nan 8.290 nan 0.000 0.491 145 P HA 0.612 nan 4.420 nan 0.000 0.281 145 P C -0.679 176.511 177.300 -0.182 0.000 1.281 145 P CA -0.691 62.267 63.100 -0.237 0.000 0.811 145 P CB 1.370 33.059 31.700 -0.018 0.000 1.154 146 L N 1.060 122.210 121.223 -0.122 0.000 2.334 146 L HA 0.453 4.793 4.340 -0.000 0.000 0.273 146 L C -1.300 175.514 176.870 -0.095 0.000 1.013 146 L CA -1.543 53.220 54.840 -0.129 0.000 0.816 146 L CB 1.756 43.739 42.059 -0.127 0.000 1.278 146 L HN 0.332 nan 8.230 nan 0.000 0.431 147 P HA 0.081 nan 4.420 nan 0.000 0.262 147 P C -0.157 176.888 177.300 -0.424 0.000 1.304 147 P CA 0.300 63.244 63.100 -0.260 0.000 0.859 147 P CB 0.297 31.827 31.700 -0.282 0.000 1.310 148 H N 1.757 120.799 119.070 -0.047 0.000 2.572 148 H HA 0.316 4.871 4.556 -0.000 0.000 0.248 148 H C -2.319 172.984 175.328 -0.041 0.000 1.397 148 H CA -2.293 53.743 56.048 -0.020 0.000 1.319 148 H CB 0.611 30.372 29.762 -0.001 0.000 1.452 148 H HN 0.151 nan 8.280 nan 0.000 0.535 149 P HA 0.005 nan 4.420 nan 0.000 0.271 149 P C 0.827 178.162 177.300 0.060 0.000 1.220 149 P CA 0.049 63.013 63.100 -0.228 0.000 0.768 149 P CB 1.129 32.524 31.700 -0.509 0.000 0.848 150 S N 1.775 117.440 115.700 -0.059 0.000 2.559 150 S HA 0.157 4.627 4.470 -0.000 0.000 0.226 150 S C 0.189 174.971 174.600 0.305 0.000 1.030 150 S CA -0.206 58.145 58.200 0.251 0.000 0.956 150 S CB -0.473 62.836 63.200 0.181 0.000 0.900 150 S HN 0.474 nan 8.310 nan 0.000 0.510 151 Y N -0.049 120.263 120.300 0.019 0.000 2.605 151 Y HA 0.836 5.385 4.550 -0.000 0.000 0.343 151 Y C -0.809 175.010 175.900 -0.134 0.000 1.036 151 Y CA -1.897 56.231 58.100 0.045 0.000 1.065 151 Y CB 1.353 39.830 38.460 0.028 0.000 1.288 151 Y HN 0.173 nan 8.280 nan 0.000 0.481 152 M N 3.121 122.901 119.600 0.300 0.000 2.221 152 M HA 0.502 4.981 4.480 -0.000 0.000 0.259 152 M C -2.189 174.248 176.300 0.228 0.000 1.001 152 M CA -0.491 54.926 55.300 0.195 0.000 1.009 152 M CB 1.951 34.684 32.600 0.221 0.000 1.939 152 M HN 0.967 nan 8.290 nan 0.000 0.477 153 R N 2.384 123.008 120.500 0.206 0.000 2.589 153 R HA 0.418 4.757 4.340 -0.000 0.000 0.293 153 R C -1.302 175.082 176.300 0.140 0.000 0.963 153 R CA -0.435 55.751 56.100 0.144 0.000 0.905 153 R CB 1.377 31.733 30.300 0.094 0.000 1.144 153 R HN 0.811 nan 8.270 nan 0.000 0.459 154 D N 4.046 124.522 120.400 0.127 0.000 2.479 154 D HA 0.048 4.688 4.640 -0.000 0.000 0.218 154 D C 0.964 177.333 176.300 0.115 0.000 1.131 154 D CA -0.496 53.588 54.000 0.140 0.000 0.916 154 D CB 1.208 42.093 40.800 0.142 0.000 1.022 154 D HN 0.363 nan 8.370 nan 0.000 0.515 155 V N 1.341 121.326 119.914 0.119 0.000 3.510 155 V HA -0.052 4.068 4.120 -0.000 0.000 0.270 155 V C 1.828 177.982 176.094 0.100 0.000 1.201 155 V CA 0.822 63.178 62.300 0.093 0.000 1.166 155 V CB -1.117 30.757 31.823 0.085 0.000 0.825 155 V HN 0.397 nan 8.190 nan 0.000 0.484 156 T N 1.702 116.342 114.554 0.144 0.000 2.699 156 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 156 T C 1.851 176.653 174.700 0.170 0.000 1.036 156 T CA 2.220 64.439 62.100 0.198 0.000 1.147 156 T CB -0.326 68.644 68.868 0.170 0.000 0.862 156 T HN 0.529 nan 8.240 nan 0.000 0.446 157 V N 1.593 121.568 119.914 0.101 0.000 2.535 157 V HA -0.041 4.079 4.120 -0.000 0.000 0.246 157 V C 2.470 178.590 176.094 0.044 0.000 1.045 157 V CA 1.510 63.855 62.300 0.075 0.000 1.058 157 V CB -0.713 31.142 31.823 0.052 0.000 0.689 157 V HN 0.614 nan 8.190 nan 0.000 0.461 158 E N 0.891 121.109 120.200 0.029 0.000 2.265 158 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 158 E C 2.253 178.835 176.600 -0.031 0.000 0.996 158 E CA 1.408 57.811 56.400 0.005 0.000 0.832 158 E CB -0.030 29.676 29.700 0.009 0.000 0.756 158 E HN 0.562 nan 8.360 nan 0.000 0.491 159 R N -0.845 119.609 120.500 -0.076 0.000 2.087 159 R HA 0.092 4.432 4.340 -0.000 0.000 0.213 159 R C 1.325 177.438 176.300 -0.311 0.000 1.137 159 R CA 0.784 56.742 56.100 -0.236 0.000 1.022 159 R CB 0.335 30.408 30.300 -0.380 0.000 0.920 159 R HN 0.337 nan 8.270 nan 0.000 0.451 160 H N -1.153 117.944 119.070 0.045 0.000 2.487 160 H HA 0.241 4.796 4.556 -0.000 0.000 0.290 160 H C 0.478 175.819 175.328 0.021 0.000 1.081 160 H CA 0.481 56.550 56.048 0.035 0.000 1.116 160 H CB 1.092 30.862 29.762 0.013 0.000 1.560 160 H HN 0.524 nan 8.280 nan 0.000 0.548 161 G N 1.093 109.948 108.800 0.092 0.000 2.283 161 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.280 161 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.280 161 G C 0.598 175.533 174.900 0.059 0.000 1.029 161 G CA 0.689 45.826 45.100 0.063 0.000 0.840 161 G HN 0.944 nan 8.290 nan 0.000 0.505 162 G N -1.544 107.297 108.800 0.068 0.000 2.359 162 G HA2 0.603 4.562 3.960 -0.000 0.000 0.293 162 G HA3 0.603 4.562 3.960 -0.000 0.000 0.293 162 G C -3.100 171.820 174.900 0.035 0.000 1.300 162 G CA 0.038 45.163 45.100 0.042 0.000 0.888 162 G HN 0.622 nan 8.290 nan 0.000 0.541 163 P HA 0.497 nan 4.420 nan 0.000 0.276 163 P C -0.366 176.882 177.300 -0.086 0.000 1.244 163 P CA -0.445 62.646 63.100 -0.016 0.000 0.801 163 P CB 1.089 32.782 31.700 -0.012 0.000 1.006 164 L N 3.208 124.339 121.223 -0.153 0.000 2.261 164 L HA 0.304 4.644 4.340 -0.000 0.000 0.289 164 L C -2.023 174.682 176.870 -0.275 0.000 1.059 164 L CA -2.130 52.516 54.840 -0.324 0.000 0.816 164 L CB 0.640 42.353 42.059 -0.576 0.000 1.191 164 L HN 0.185 nan 8.230 nan 0.000 0.431 165 P HA -0.148 nan 4.420 nan 0.000 0.264 165 P C 0.056 177.124 177.300 -0.388 0.000 1.183 165 P CA 0.176 63.077 63.100 -0.333 0.000 0.763 165 P CB 0.363 31.759 31.700 -0.507 0.000 0.807 166 Y N 3.146 123.245 120.300 -0.336 0.000 2.497 166 Y HA -0.204 4.345 4.550 -0.000 0.000 0.292 166 Y C 2.096 177.833 175.900 -0.272 0.000 1.137 166 Y CA 1.683 59.617 58.100 -0.276 0.000 1.285 166 Y CB -0.715 37.665 38.460 -0.134 0.000 0.991 166 Y HN 0.536 nan 8.280 nan 0.000 0.556 167 H N -2.725 116.304 119.070 -0.069 0.000 2.547 167 H HA 0.159 4.715 4.556 -0.000 0.000 0.272 167 H C 1.836 177.085 175.328 -0.131 0.000 0.989 167 H CA 0.683 56.662 56.048 -0.115 0.000 1.214 167 H CB -0.349 29.386 29.762 -0.046 0.000 1.389 167 H HN 0.110 nan 8.280 nan 0.000 0.577 168 R N 0.816 121.142 120.500 -0.291 0.000 2.153 168 R HA 0.010 4.350 4.340 -0.000 0.000 0.218 168 R C 0.736 177.015 176.300 -0.035 0.000 1.072 168 R CA 0.176 56.226 56.100 -0.083 0.000 0.990 168 R CB -0.125 30.090 30.300 -0.142 0.000 0.889 168 R HN 0.284 nan 8.270 nan 0.000 0.452 169 R N 2.904 123.227 120.500 -0.294 0.000 2.695 169 R HA -0.068 4.272 4.340 -0.000 0.000 0.304 169 R C -2.304 173.757 176.300 -0.399 0.000 0.836 169 R CA -0.658 55.084 56.100 -0.598 0.000 1.135 169 R CB 0.093 29.692 30.300 -1.168 0.000 0.882 169 R HN -0.125 nan 8.270 nan 0.000 0.413 170 P HA -0.124 nan 4.420 nan 0.000 0.266 170 P C -0.743 176.492 177.300 -0.107 0.000 1.186 170 P CA -0.020 62.963 63.100 -0.195 0.000 0.767 170 P CB 0.500 32.122 31.700 -0.131 0.000 0.820 171 V N 4.949 124.810 119.914 -0.089 0.000 2.479 171 V HA -0.004 4.116 4.120 -0.000 0.000 0.281 171 V C 0.847 176.916 176.094 -0.041 0.000 1.031 171 V CA 0.158 62.345 62.300 -0.188 0.000 1.038 171 V CB -0.312 31.200 31.823 -0.518 0.000 0.981 171 V HN 0.353 nan 8.190 nan 0.000 0.478 172 L N 4.603 125.874 121.223 0.079 0.000 2.467 172 L HA 0.133 4.473 4.340 -0.000 0.000 0.270 172 L C 1.383 178.437 176.870 0.307 0.000 1.205 172 L CA -0.080 54.939 54.840 0.298 0.000 0.828 172 L CB 0.113 42.369 42.059 0.328 0.000 1.101 172 L HN 0.702 nan 8.230 nan 0.000 0.479 173 F N 0.793 120.958 119.950 0.359 0.000 2.154 173 F HA -0.271 4.256 4.527 -0.000 0.000 0.301 173 F C 2.404 178.388 175.800 0.307 0.000 1.087 173 F CA 1.704 59.949 58.000 0.407 0.000 1.274 173 F CB -0.047 39.133 39.000 0.301 0.000 1.009 173 F HN 0.551 nan 8.300 nan 0.000 0.485 174 Q N 0.575 120.498 119.800 0.206 0.000 2.119 174 Q HA -0.218 4.121 4.340 -0.000 0.000 0.201 174 Q C 2.311 178.345 176.000 0.056 0.000 0.972 174 Q CA 1.736 57.577 55.803 0.063 0.000 0.847 174 Q CB -0.422 28.415 28.738 0.166 0.000 0.903 174 Q HN 0.631 nan 8.270 nan 0.000 0.433 175 E N -0.694 119.562 120.200 0.093 0.000 2.085 175 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 175 E C 1.700 178.290 176.600 -0.016 0.000 0.994 175 E CA 0.952 57.398 56.400 0.076 0.000 0.801 175 E CB 0.000 29.687 29.700 -0.021 0.000 0.743 175 E HN 0.340 nan 8.360 nan 0.000 0.453 176 Y N 0.227 120.538 120.300 0.018 0.000 2.224 176 Y HA -0.176 4.374 4.550 -0.000 0.000 0.289 176 Y C 2.175 178.008 175.900 -0.112 0.000 1.146 176 Y CA 0.866 58.950 58.100 -0.027 0.000 1.182 176 Y CB -0.371 38.135 38.460 0.077 0.000 0.983 176 Y HN 0.080 nan 8.280 nan 0.000 0.524 177 L N -0.373 120.838 121.223 -0.019 0.000 2.056 177 L HA -0.223 4.116 4.340 -0.000 0.000 0.207 177 L C 1.908 178.771 176.870 -0.012 0.000 1.078 177 L CA 1.526 56.308 54.840 -0.097 0.000 0.749 177 L CB -0.362 41.553 42.059 -0.239 0.000 0.901 177 L HN 0.108 nan 8.230 nan 0.000 0.433 178 D N -0.359 120.070 120.400 0.049 0.000 2.144 178 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 178 D C 2.246 178.677 176.300 0.217 0.000 0.984 178 D CA 1.273 55.346 54.000 0.121 0.000 0.834 178 D CB -0.027 40.880 40.800 0.179 0.000 0.955 178 D HN 0.344 nan 8.370 nan 0.000 0.465 179 I N 0.766 121.432 120.570 0.160 0.000 2.315 179 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 179 I C 1.540 177.541 176.117 -0.192 0.000 1.117 179 I CA 0.959 62.239 61.300 -0.035 0.000 1.404 179 I CB -0.029 37.766 38.000 -0.342 0.000 1.071 179 I HN -0.169 nan 8.210 nan 0.000 0.419 180 D N 0.239 120.526 120.400 -0.188 0.000 2.269 180 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 180 D C 2.231 178.459 176.300 -0.121 0.000 0.963 180 D CA 0.715 54.552 54.000 -0.272 0.000 0.864 180 D CB -0.041 40.711 40.800 -0.081 0.000 0.936 180 D HN 0.341 nan 8.370 nan 0.000 0.505 181 Q N -0.176 119.616 119.800 -0.012 0.000 2.046 181 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 181 Q C 2.227 178.236 176.000 0.015 0.000 0.975 181 Q CA 0.836 56.662 55.803 0.039 0.000 0.836 181 Q CB -0.193 28.565 28.738 0.033 0.000 0.896 181 Q HN 0.360 nan 8.270 nan 0.000 0.428 182 M N 0.248 119.852 119.600 0.008 0.000 2.108 182 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 182 M C 1.852 178.117 176.300 -0.059 0.000 1.066 182 M CA 1.583 56.892 55.300 0.015 0.000 1.107 182 M CB -0.092 32.568 32.600 0.101 0.000 1.356 182 M HN 0.124 nan 8.290 nan 0.000 0.406 183 I N -0.294 120.154 120.570 -0.203 0.000 2.163 183 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 183 I C 1.764 177.742 176.117 -0.233 0.000 1.081 183 I CA 1.233 62.334 61.300 -0.331 0.000 1.353 183 I CB -0.288 37.326 38.000 -0.643 0.000 1.054 183 I HN 0.249 nan 8.210 nan 0.000 0.407 184 F N 0.621 120.573 119.950 0.004 0.000 2.335 184 F HA -0.033 4.494 4.527 -0.000 0.000 0.296 184 F C 2.230 178.055 175.800 0.042 0.000 1.091 184 F CA 0.616 58.635 58.000 0.032 0.000 1.399 184 F CB -0.798 38.208 39.000 0.009 0.000 1.067 184 F HN 0.094 nan 8.300 nan 0.000 0.520 185 N N 0.285 119.094 118.700 0.181 0.000 2.240 185 N HA 0.013 4.753 4.740 -0.000 0.000 0.187 185 N C 1.922 177.478 175.510 0.077 0.000 1.042 185 N CA 0.983 54.101 53.050 0.113 0.000 0.861 185 N CB -0.425 38.108 38.487 0.076 0.000 1.026 185 N HN 0.181 nan 8.380 nan 0.000 0.441 186 R N 0.450 120.980 120.500 0.050 0.000 2.066 186 R HA 0.077 4.417 4.340 -0.000 0.000 0.224 186 R C 1.834 178.150 176.300 0.027 0.000 1.122 186 R CA 0.857 56.977 56.100 0.033 0.000 0.974 186 R CB -0.030 30.284 30.300 0.024 0.000 0.871 186 R HN 0.125 nan 8.270 nan 0.000 0.435 187 E N 0.757 120.966 120.200 0.016 0.000 2.075 187 E HA 0.048 4.398 4.350 -0.000 0.000 0.190 187 E C 1.863 178.458 176.600 -0.008 0.000 0.969 187 E CA 0.654 57.052 56.400 -0.004 0.000 0.815 187 E CB 0.071 29.755 29.700 -0.027 0.000 0.776 187 E HN 0.101 nan 8.360 nan 0.000 0.457 188 L N 0.609 121.845 121.223 0.023 0.000 2.093 188 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 188 L C -0.811 176.026 176.870 -0.055 0.000 1.085 188 L CA 1.035 55.883 54.840 0.013 0.000 0.755 188 L CB -1.118 41.050 42.059 0.182 0.000 0.904 188 L HN 0.172 nan 8.230 nan 0.000 0.435 189 P HA -0.182 nan 4.420 nan 0.000 0.222 189 P C 1.274 178.536 177.300 -0.063 0.000 1.147 189 P CA 1.010 64.116 63.100 0.009 0.000 0.790 189 P CB 0.005 31.763 31.700 0.095 0.000 0.780 190 Q N -1.062 118.705 119.800 -0.056 0.000 2.439 190 Q HA -0.025 4.315 4.340 -0.000 0.000 0.211 190 Q C 1.081 177.014 176.000 -0.112 0.000 0.978 190 Q CA 0.997 56.760 55.803 -0.066 0.000 0.897 190 Q CB -0.274 28.435 28.738 -0.049 0.000 0.956 190 Q HN 0.161 nan 8.270 nan 0.000 0.483 191 A N -0.380 122.329 122.820 -0.185 0.000 2.643 191 A HA 0.157 4.477 4.320 -0.000 0.000 0.295 191 A C 1.285 178.648 177.584 -0.369 0.000 1.065 191 A CA -0.063 51.822 52.037 -0.254 0.000 0.986 191 A CB 0.153 18.978 19.000 -0.292 0.000 1.212 191 A HN 0.254 nan 8.150 nan 0.000 0.516 192 S N -1.086 114.414 115.700 -0.332 0.000 2.447 192 S HA -0.034 4.436 4.470 -0.000 0.000 0.233 192 S C 1.766 176.205 174.600 -0.268 0.000 1.006 192 S CA 1.472 59.413 58.200 -0.431 0.000 0.957 192 S CB -0.363 62.732 63.200 -0.175 0.000 0.773 192 S HN 0.666 nan 8.310 nan 0.000 0.507 193 G N 1.719 110.420 108.800 -0.165 0.000 2.395 193 G HA2 0.002 3.962 3.960 -0.000 0.000 0.214 193 G HA3 0.002 3.962 3.960 -0.000 0.000 0.214 193 G C 1.292 176.053 174.900 -0.233 0.000 1.177 193 G CA 0.703 45.781 45.100 -0.037 0.000 0.794 193 G HN 0.454 nan 8.290 nan 0.000 0.532 194 L N 0.670 121.569 121.223 -0.539 0.000 2.017 194 L HA 0.085 4.425 4.340 -0.000 0.000 0.208 194 L C 2.640 179.134 176.870 -0.626 0.000 1.073 194 L CA 1.446 55.671 54.840 -1.024 0.000 0.745 194 L CB -0.386 41.129 42.059 -0.906 0.000 0.894 194 L HN 0.185 nan 8.230 nan 0.000 0.432 195 L N -1.386 119.543 121.223 -0.491 0.000 2.291 195 L HA -0.172 4.168 4.340 -0.000 0.000 0.214 195 L C 2.500 179.292 176.870 -0.130 0.000 1.120 195 L CA 0.970 55.604 54.840 -0.343 0.000 0.799 195 L CB -0.819 40.940 42.059 -0.500 0.000 0.925 195 L HN 0.452 nan 8.230 nan 0.000 0.446 196 H N -0.596 118.336 119.070 -0.231 0.000 2.357 196 H HA -0.153 4.403 4.556 -0.000 0.000 0.301 196 H C 2.149 177.333 175.328 -0.240 0.000 1.082 196 H CA 1.686 57.619 56.048 -0.192 0.000 1.342 196 H CB 0.077 29.660 29.762 -0.298 0.000 1.389 196 H HN 0.204 nan 8.280 nan 0.000 0.511 197 H N -1.332 117.514 119.070 -0.372 0.000 2.548 197 H HA 0.065 4.621 4.556 -0.000 0.000 0.268 197 H C 2.041 177.213 175.328 -0.260 0.000 0.975 197 H CA 0.938 56.769 56.048 -0.362 0.000 1.195 197 H CB -0.215 29.457 29.762 -0.150 0.000 1.397 197 H HN 0.590 nan 8.280 nan 0.000 0.572 198 C N -1.161 118.077 119.300 -0.102 0.000 3.123 198 C HA 0.270 4.730 4.460 -0.000 0.000 0.399 198 C C 1.191 176.268 174.990 0.144 0.000 1.320 198 C CA 0.417 59.436 59.018 0.003 0.000 1.949 198 C CB -0.360 27.348 27.740 -0.053 0.000 2.692 198 C HN 0.519 nan 8.230 nan 0.000 0.623 199 C N -1.352 118.052 119.300 0.174 0.000 3.607 199 C HA 0.555 5.015 4.460 -0.000 0.000 0.304 199 C C 0.342 175.676 174.990 0.573 0.000 2.634 199 C CA -0.695 58.586 59.018 0.439 0.000 1.594 199 C CB -2.714 25.112 27.740 0.143 0.000 3.304 199 C HN 0.495 nan 8.230 nan 0.000 0.392 200 F N -1.017 118.994 119.950 0.102 0.000 3.074 200 F HA -0.247 4.280 4.527 -0.000 0.000 0.289 200 F C 0.686 176.575 175.800 0.150 0.000 0.863 200 F CA 0.379 58.434 58.000 0.091 0.000 1.121 200 F CB -1.924 37.107 39.000 0.053 0.000 1.169 200 F HN 0.619 nan 8.300 nan 0.000 0.570 201 Y N 2.743 123.128 120.300 0.142 0.000 2.811 201 Y HA 0.179 4.729 4.550 -0.000 0.000 0.334 201 Y C 0.749 176.692 175.900 0.072 0.000 1.247 201 Y CA 0.183 58.337 58.100 0.091 0.000 1.526 201 Y CB 0.373 38.855 38.460 0.038 0.000 1.284 201 Y HN 0.011 nan 8.280 nan 0.000 0.586 205 G N 1.249 109.689 108.800 -0.599 0.000 2.186 205 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.130 205 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.130 205 G C 0.638 175.070 174.900 -0.781 0.000 1.031 205 G CA -0.005 44.728 45.100 -0.612 0.000 0.697 205 G HN 0.378 nan 8.290 nan 0.000 0.494 206 R N 0.119 120.335 120.500 -0.474 0.000 2.206 206 R HA 0.135 4.475 4.340 -0.000 0.000 0.198 206 R C 1.999 178.155 176.300 -0.239 0.000 0.986 206 R CA 0.933 56.834 56.100 -0.332 0.000 1.029 206 R CB -0.255 29.910 30.300 -0.224 0.000 0.966 206 R HN 0.494 nan 8.270 nan 0.000 0.487 207 N N 0.536 119.119 118.700 -0.195 0.000 2.424 207 N HA 0.037 4.777 4.740 -0.000 0.000 0.178 207 N C 0.366 175.887 175.510 0.019 0.000 1.060 207 N CA 0.169 53.187 53.050 -0.053 0.000 0.901 207 N CB 0.276 38.774 38.487 0.018 0.000 0.979 207 N HN 0.029 nan 8.380 nan 0.000 0.451 208 L N 0.120 121.293 121.223 -0.083 0.000 2.304 208 L HA 0.703 5.043 4.340 -0.000 0.000 0.268 208 L C -0.644 176.213 176.870 -0.023 0.000 1.010 208 L CA -1.231 53.618 54.840 0.016 0.000 0.813 208 L CB 2.066 44.197 42.059 0.121 0.000 1.315 208 L HN -0.078 nan 8.230 nan 0.000 0.445 209 V N -0.350 119.642 119.914 0.131 0.000 3.147 209 V HA 0.394 4.514 4.120 -0.000 0.000 0.299 209 V C -0.859 175.336 176.094 0.169 0.000 1.302 209 V CA -0.254 62.102 62.300 0.093 0.000 1.015 209 V CB 2.815 34.500 31.823 -0.229 0.000 1.086 209 V HN 0.787 nan 8.190 nan 0.000 0.437 210 T N 5.109 119.739 114.554 0.126 0.000 2.895 210 T HA 0.731 5.081 4.350 -0.000 0.000 0.283 210 T C -0.727 174.161 174.700 0.313 0.000 1.014 210 T CA -0.310 61.928 62.100 0.229 0.000 1.037 210 T CB 1.019 69.906 68.868 0.031 0.000 1.006 210 T HN 0.704 nan 8.240 nan 0.000 0.468 211 M N 2.765 122.729 119.600 0.607 0.000 2.324 211 M HA 0.424 4.904 4.480 -0.000 0.000 0.288 211 M C -0.403 176.211 176.300 0.522 0.000 1.097 211 M CA -0.504 55.123 55.300 0.546 0.000 0.928 211 M CB 1.865 34.774 32.600 0.515 0.000 1.648 211 M HN 0.563 nan 8.290 nan 0.000 0.460 212 T N 2.354 117.123 114.554 0.358 0.000 2.855 212 T HA 0.355 4.704 4.350 -0.000 0.000 0.314 212 T C 0.539 175.291 174.700 0.086 0.000 1.077 212 T CA 0.027 62.172 62.100 0.075 0.000 1.095 212 T CB 0.567 69.624 68.868 0.316 0.000 0.987 212 T HN 0.816 nan 8.240 nan 0.000 0.546 213 T N -1.645 112.858 114.554 -0.085 0.000 2.555 213 T HA 0.802 5.152 4.350 -0.000 0.000 0.234 213 T C 0.984 175.653 174.700 -0.051 0.000 0.837 213 T CA -0.247 61.791 62.100 -0.102 0.000 1.163 213 T CB 0.750 69.516 68.868 -0.170 0.000 1.556 213 T HN 0.592 nan 8.240 nan 0.000 0.520 214 A N 1.030 123.752 122.820 -0.164 0.000 2.579 214 A HA 0.732 5.052 4.320 -0.000 0.000 0.220 214 A C -2.106 175.441 177.584 -0.063 0.000 2.352 214 A CA -0.343 51.525 52.037 -0.282 0.000 1.183 214 A CB -0.896 17.839 19.000 -0.441 0.000 1.311 214 A HN 0.711 nan 8.150 nan 0.000 0.534 215 P HA 0.418 nan 4.420 nan 0.000 0.284 215 P C -1.391 175.990 177.300 0.134 0.000 1.258 215 P CA -0.330 62.770 63.100 -0.000 0.000 0.824 215 P CB 0.758 32.354 31.700 -0.174 0.000 1.038 216 R N 1.758 122.382 120.500 0.207 0.000 2.332 216 R HA 0.665 5.005 4.340 -0.000 0.000 0.306 216 R C 0.548 176.947 176.300 0.165 0.000 1.117 216 R CA -0.479 55.699 56.100 0.130 0.000 1.108 216 R CB 0.471 30.785 30.300 0.024 0.000 1.126 216 R HN 0.863 nan 8.270 nan 0.000 0.548 217 G N 1.137 110.028 108.800 0.151 0.000 2.342 217 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.220 217 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.220 217 G C -0.300 174.650 174.900 0.083 0.000 1.243 217 G CA -0.877 44.230 45.100 0.012 0.000 1.083 217 G HN 0.409 nan 8.290 nan 0.000 0.500 218 L N 0.171 121.218 121.223 -0.293 0.000 3.410 218 L HA 0.597 4.936 4.340 -0.000 0.000 0.309 218 L C 0.026 176.394 176.870 -0.836 0.000 1.254 218 L CA 0.315 55.003 54.840 -0.253 0.000 1.048 218 L CB 1.057 43.047 42.059 -0.115 0.000 1.442 218 L HN 0.829 nan 8.230 nan 0.000 0.615 219 Q N -0.243 118.420 119.800 -1.895 0.000 2.646 219 Q HA 0.198 4.538 4.340 -0.000 0.000 0.260 219 Q C -1.139 174.057 176.000 -1.340 0.000 0.975 219 Q CA -0.217 54.724 55.803 -1.435 0.000 0.936 219 Q CB 1.677 30.009 28.738 -0.677 0.000 1.591 219 Q HN -0.016 nan 8.270 nan 0.000 0.412 220 S N 1.172 116.463 115.700 -0.681 0.000 2.563 220 S HA 0.388 4.858 4.470 -0.000 0.000 0.294 220 S C 1.186 175.572 174.600 -0.357 0.000 1.279 220 S CA 2.076 60.161 58.200 -0.192 0.000 1.069 220 S CB -0.010 63.209 63.200 0.032 0.000 0.828 220 S HN 1.328 nan 8.310 nan 0.000 0.497 221 G N 4.002 112.473 108.800 -0.549 0.000 2.199 221 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.254 221 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.254 221 G C -0.176 174.355 174.900 -0.616 0.000 0.982 221 G CA 0.187 44.671 45.100 -1.026 0.000 0.632 221 G HN 0.674 nan 8.290 nan 0.000 0.529 222 D N -0.387 119.741 120.400 -0.454 0.000 2.360 222 D HA 0.568 5.208 4.640 -0.000 0.000 0.242 222 D C 1.087 177.250 176.300 -0.228 0.000 1.184 222 D CA 0.116 53.919 54.000 -0.329 0.000 0.930 222 D CB 0.491 41.075 40.800 -0.360 0.000 1.161 222 D HN 0.321 nan 8.370 nan 0.000 0.447 223 R N 0.150 120.499 120.500 -0.250 0.000 2.570 223 R HA 0.481 4.821 4.340 -0.000 0.000 0.246 223 R C -1.736 174.256 176.300 -0.513 0.000 1.417 223 R CA -0.283 55.621 56.100 -0.327 0.000 1.525 223 R CB 0.215 30.302 30.300 -0.355 0.000 1.403 223 R HN 0.376 nan 8.270 nan 0.000 0.754 224 A N 1.249 123.879 122.820 -0.317 0.000 2.285 224 A HA 0.541 4.861 4.320 -0.000 0.000 0.310 224 A C -0.522 176.944 177.584 -0.198 0.000 1.266 224 A CA -0.400 51.462 52.037 -0.292 0.000 0.832 224 A CB 1.301 20.147 19.000 -0.257 0.000 1.163 224 A HN 0.268 nan 8.150 nan 0.000 0.499 225 T N 2.227 116.710 114.554 -0.117 0.000 2.771 225 T HA 0.374 4.724 4.350 -0.000 0.000 0.281 225 T C -0.483 174.122 174.700 -0.158 0.000 0.982 225 T CA -0.027 62.015 62.100 -0.096 0.000 0.978 225 T CB 0.414 69.245 68.868 -0.062 0.000 0.930 225 T HN 0.597 nan 8.240 nan 0.000 0.447 226 W N 2.622 123.846 121.300 -0.126 0.000 2.238 226 W HA 0.505 5.165 4.660 -0.000 0.000 0.321 226 W C -0.433 175.976 176.519 -0.184 0.000 1.293 226 W CA -0.539 56.768 57.345 -0.063 0.000 1.204 226 W CB 0.372 29.794 29.460 -0.064 0.000 1.167 226 W HN 0.508 nan 8.180 nan 0.000 0.553 227 F N 2.065 122.232 119.950 0.362 0.000 2.529 227 F HA 0.540 5.066 4.527 -0.000 0.000 0.320 227 F C 0.836 176.803 175.800 0.278 0.000 1.118 227 F CA -0.958 57.208 58.000 0.277 0.000 0.915 227 F CB 1.375 40.474 39.000 0.165 0.000 1.161 227 F HN 0.309 nan 8.300 nan 0.000 0.445 228 G N 2.933 112.027 108.800 0.490 0.000 2.476 228 G HA2 0.632 4.591 3.960 -0.000 0.000 0.286 228 G HA3 0.632 4.591 3.960 -0.000 0.000 0.286 228 G C -1.324 173.623 174.900 0.078 0.000 1.177 228 G CA -0.524 44.755 45.100 0.299 0.000 0.870 228 G HN 0.494 nan 8.290 nan 0.000 0.528 229 L N 0.203 121.194 121.223 -0.387 0.000 2.334 229 L HA 0.592 4.932 4.340 -0.000 0.000 0.276 229 L C -1.013 175.476 176.870 -0.634 0.000 1.014 229 L CA -0.650 54.017 54.840 -0.288 0.000 0.815 229 L CB 1.827 43.791 42.059 -0.160 0.000 1.268 229 L HN 0.541 nan 8.230 nan 0.000 0.428 230 Y N 0.243 120.539 120.300 -0.006 0.000 2.562 230 Y HA 0.459 5.009 4.550 -0.000 0.000 0.345 230 Y C -0.697 175.216 175.900 0.021 0.000 1.045 230 Y CA -1.026 57.097 58.100 0.040 0.000 1.028 230 Y CB 1.257 39.903 38.460 0.309 0.000 1.297 230 Y HN 0.244 nan 8.280 nan 0.000 0.463 231 Y N 1.042 121.512 120.300 0.283 0.000 2.550 231 Y HA -0.009 4.541 4.550 -0.000 0.000 0.343 231 Y C 0.962 176.948 175.900 0.143 0.000 1.245 231 Y CA -0.225 57.989 58.100 0.189 0.000 1.462 231 Y CB 0.355 38.949 38.460 0.223 0.000 1.340 231 Y HN 0.524 nan 8.280 nan 0.000 0.604 232 N N 2.951 121.788 118.700 0.228 0.000 3.324 232 N HA 0.107 4.847 4.740 -0.000 0.000 0.302 232 N C -1.153 174.409 175.510 0.085 0.000 1.360 232 N CA -0.194 52.889 53.050 0.055 0.000 1.190 232 N CB -0.634 37.839 38.487 -0.023 0.000 1.462 232 N HN 0.323 nan 8.380 nan 0.000 0.532 233 I N 0.546 121.210 120.570 0.158 0.000 2.752 233 I HA -0.054 4.116 4.170 -0.000 0.000 0.289 233 I C 1.069 177.241 176.117 0.092 0.000 1.197 233 I CA -0.041 61.363 61.300 0.174 0.000 1.432 233 I CB -0.184 37.941 38.000 0.209 0.000 1.359 233 I HN 0.254 nan 8.210 nan 0.000 0.571 234 S N 4.505 120.255 115.700 0.083 0.000 2.474 234 S HA 0.463 4.933 4.470 -0.000 0.000 0.276 234 S C 1.042 175.677 174.600 0.058 0.000 1.227 234 S CA 0.238 58.465 58.200 0.046 0.000 1.050 234 S CB 0.219 63.435 63.200 0.027 0.000 0.939 234 S HN 1.151 nan 8.310 nan 0.000 0.490 235 G N 2.799 111.623 108.800 0.040 0.000 2.155 235 G HA2 0.062 4.021 3.960 -0.000 0.000 0.257 235 G HA3 0.062 4.021 3.960 -0.000 0.000 0.257 235 G C 0.131 175.085 174.900 0.090 0.000 0.983 235 G CA 0.049 45.179 45.100 0.050 0.000 0.676 235 G HN 1.600 nan 8.290 nan 0.000 0.528 236 A N -1.529 121.341 122.820 0.083 0.000 2.608 236 A HA 0.884 5.204 4.320 -0.000 0.000 0.292 236 A C 0.395 177.922 177.584 -0.094 0.000 1.066 236 A CA 0.436 52.529 52.037 0.093 0.000 0.676 236 A CB 0.347 19.438 19.000 0.152 0.000 1.277 236 A HN 1.924 nan 8.150 nan 0.000 0.413 237 G N 0.193 108.750 108.800 -0.406 0.000 2.254 237 G HA2 0.372 4.332 3.960 -0.000 0.000 0.253 237 G HA3 0.372 4.332 3.960 -0.000 0.000 0.253 237 G C 0.535 174.966 174.900 -0.781 0.000 1.246 237 G CA 0.506 45.004 45.100 -1.005 0.000 0.946 237 G HN 1.527 nan 8.290 nan 0.000 0.474 238 F N 1.689 121.146 119.950 -0.823 0.000 2.502 238 F HA 0.114 4.641 4.527 -0.000 0.000 0.298 238 F C 1.579 177.007 175.800 -0.620 0.000 1.111 238 F CA -0.029 57.589 58.000 -0.636 0.000 1.445 238 F CB -0.481 38.182 39.000 -0.562 0.000 1.081 238 F HN 0.352 nan 8.300 nan 0.000 0.558 239 F N 1.069 120.325 119.950 -1.157 0.000 2.408 239 F HA -0.033 4.494 4.527 -0.000 0.000 0.300 239 F C 1.794 177.398 175.800 -0.327 0.000 1.090 239 F CA 0.809 58.240 58.000 -0.948 0.000 1.427 239 F CB -0.821 37.650 39.000 -0.882 0.000 1.070 239 F HN 0.069 nan 8.300 nan 0.000 0.549 240 L N -0.982 120.098 121.223 -0.239 0.000 2.509 240 L HA 0.018 4.357 4.340 -0.000 0.000 0.222 240 L C 0.358 177.273 176.870 0.075 0.000 1.123 240 L CA 0.375 55.127 54.840 -0.145 0.000 0.856 240 L CB -0.350 41.509 42.059 -0.334 0.000 0.985 240 L HN 0.135 nan 8.230 nan 0.000 0.456 241 H N -1.272 117.901 119.070 0.172 0.000 2.375 241 H HA 0.255 4.811 4.556 -0.000 0.000 0.230 241 H C -0.555 174.970 175.328 0.329 0.000 1.511 241 H CA -0.889 55.296 56.048 0.228 0.000 1.215 241 H CB -0.603 29.272 29.762 0.189 0.000 1.580 241 H HN 0.094 nan 8.280 nan 0.000 0.537 242 H N 0.208 119.501 119.070 0.370 0.000 2.848 242 H HA 0.073 4.629 4.556 -0.000 0.000 0.341 242 H C 0.859 176.191 175.328 0.006 0.000 1.060 242 H CA 0.104 56.170 56.048 0.029 0.000 1.444 242 H CB 0.968 30.791 29.762 0.102 0.000 1.446 242 H HN 0.129 nan 8.280 nan 0.000 0.583 243 V N 3.753 123.328 119.914 -0.565 0.000 3.590 243 V HA 0.171 4.291 4.120 -0.000 0.000 0.265 243 V C 1.727 177.391 176.094 -0.716 0.000 1.239 243 V CA 1.041 63.012 62.300 -0.549 0.000 1.117 243 V CB 0.042 31.534 31.823 -0.552 0.000 0.818 243 V HN 1.153 nan 8.190 nan 0.000 0.451 244 G N 0.332 108.705 108.800 -0.712 0.000 2.201 244 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.212 244 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.212 244 G C -0.207 174.601 174.900 -0.153 0.000 0.994 244 G CA 0.097 44.866 45.100 -0.551 0.000 0.644 244 G HN 0.336 nan 8.290 nan 0.000 0.508 245 L N 1.724 122.855 121.223 -0.154 0.000 2.307 245 L HA 0.804 5.143 4.340 -0.000 0.000 0.282 245 L C -0.255 176.652 176.870 0.063 0.000 1.051 245 L CA -0.649 54.226 54.840 0.058 0.000 0.804 245 L CB 1.149 43.184 42.059 -0.039 0.000 1.197 245 L HN 0.234 nan 8.230 nan 0.000 0.431 246 E N 6.043 126.401 120.200 0.263 0.000 2.278 246 E HA 0.453 4.803 4.350 -0.000 0.000 0.272 246 E C -1.575 175.333 176.600 0.513 0.000 0.890 246 E CA -0.585 56.043 56.400 0.379 0.000 0.770 246 E CB 2.239 32.139 29.700 0.334 0.000 1.212 246 E HN 0.477 nan 8.360 nan 0.000 0.415 247 L N 3.113 124.611 121.223 0.458 0.000 2.349 247 L HA 0.395 4.735 4.340 -0.000 0.000 0.278 247 L C -0.661 176.245 176.870 0.060 0.000 0.996 247 L CA -1.071 53.920 54.840 0.252 0.000 0.825 247 L CB 1.302 43.437 42.059 0.127 0.000 1.243 247 L HN 0.311 nan 8.230 nan 0.000 0.412 248 L N 4.956 125.854 121.223 -0.542 0.000 2.363 248 L HA 0.319 4.659 4.340 -0.000 0.000 0.286 248 L C -0.329 176.315 176.870 -0.377 0.000 1.106 248 L CA 0.183 54.437 54.840 -0.977 0.000 0.859 248 L CB 1.010 42.081 42.059 -1.647 0.000 1.223 248 L HN 0.309 nan 8.230 nan 0.000 0.446 249 V N 5.575 125.405 119.914 -0.140 0.000 2.432 249 V HA 0.259 4.378 4.120 -0.000 0.000 0.275 249 V C 0.233 176.274 176.094 -0.089 0.000 1.043 249 V CA -0.604 61.675 62.300 -0.034 0.000 0.925 249 V CB 1.432 33.326 31.823 0.119 0.000 0.985 249 V HN 0.847 nan 8.190 nan 0.000 0.466 250 N N 3.750 122.368 118.700 -0.136 0.000 2.420 250 N HA 0.231 4.971 4.740 -0.000 0.000 0.249 250 N C 0.500 175.815 175.510 -0.325 0.000 1.033 250 N CA -0.445 52.477 53.050 -0.213 0.000 0.944 250 N CB 0.348 38.745 38.487 -0.150 0.000 1.113 250 N HN 0.835 nan 8.380 nan 0.000 0.502 251 H N 2.413 121.137 119.070 -0.577 0.000 2.510 251 H HA 0.188 4.744 4.556 -0.000 0.000 0.266 251 H C 0.809 175.836 175.328 -0.503 0.000 1.146 251 H CA -0.394 54.916 56.048 -1.229 0.000 0.993 251 H CB 0.100 28.775 29.762 -1.811 0.000 1.727 251 H HN 0.528 nan 8.280 nan 0.000 0.590 252 K N 1.644 121.868 120.400 -0.294 0.000 2.103 252 K HA -0.003 4.317 4.320 -0.000 0.000 0.207 252 K C 0.968 177.668 176.600 0.167 0.000 1.048 252 K CA 0.879 57.121 56.287 -0.076 0.000 0.930 252 K CB -0.027 32.422 32.500 -0.086 0.000 0.716 252 K HN 0.321 nan 8.250 nan 0.000 0.444 253 A N 0.790 123.795 122.820 0.309 0.000 2.507 253 A HA 0.068 4.388 4.320 -0.000 0.000 0.235 253 A C 0.927 178.744 177.584 0.389 0.000 1.070 253 A CA -0.009 52.230 52.037 0.337 0.000 0.768 253 A CB 0.075 19.284 19.000 0.348 0.000 1.011 253 A HN 0.404 nan 8.150 nan 0.000 0.502 254 L N -0.095 121.260 121.223 0.221 0.000 2.492 254 L HA 0.095 4.435 4.340 -0.000 0.000 0.223 254 L C 0.370 177.281 176.870 0.068 0.000 1.132 254 L CA 0.358 55.312 54.840 0.189 0.000 0.850 254 L CB -0.304 41.833 42.059 0.131 0.000 0.966 254 L HN 0.657 nan 8.230 nan 0.000 0.454 255 D N 0.536 120.931 120.400 -0.009 0.000 2.473 255 D HA 0.208 4.848 4.640 -0.000 0.000 0.226 255 D C -1.704 174.315 176.300 -0.469 0.000 1.089 255 D CA -2.334 51.568 54.000 -0.164 0.000 0.883 255 D CB 1.543 42.288 40.800 -0.091 0.000 1.029 255 D HN -0.209 nan 8.370 nan 0.000 0.517 256 P HA -0.199 nan 4.420 nan 0.000 0.218 256 P C 1.011 177.768 177.300 -0.906 0.000 1.146 256 P CA 1.272 63.343 63.100 -1.716 0.000 0.820 256 P CB 0.239 31.193 31.700 -1.243 0.000 0.778 257 A N -0.634 121.916 122.820 -0.450 0.000 1.972 257 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 257 A C 2.278 179.791 177.584 -0.118 0.000 1.169 257 A CA 1.330 53.239 52.037 -0.214 0.000 0.635 257 A CB -0.980 17.936 19.000 -0.139 0.000 0.810 257 A HN 0.081 nan 8.150 nan 0.000 0.446 258 R N -1.766 118.662 120.500 -0.121 0.000 2.299 258 R HA -0.020 4.320 4.340 -0.000 0.000 0.197 258 R C -0.490 175.928 176.300 0.198 0.000 0.971 258 R CA -0.431 55.687 56.100 0.031 0.000 1.030 258 R CB 0.020 30.344 30.300 0.040 0.000 0.932 258 R HN 0.569 nan 8.270 nan 0.000 0.477 259 W N 1.398 122.708 121.300 0.016 0.000 2.223 259 W HA 0.017 4.677 4.660 -0.000 0.000 0.334 259 W C 1.039 177.561 176.519 0.004 0.000 1.334 259 W CA -0.309 57.049 57.345 0.021 0.000 1.246 259 W CB 0.107 29.588 29.460 0.034 0.000 1.184 259 W HN -0.021 nan 8.180 nan 0.000 0.563 260 T N 0.898 115.569 114.554 0.194 0.000 2.870 260 T HA 0.731 5.081 4.350 -0.000 0.000 0.277 260 T C -0.489 174.235 174.700 0.041 0.000 1.000 260 T CA -0.893 61.261 62.100 0.090 0.000 0.982 260 T CB 1.529 70.426 68.868 0.048 0.000 1.249 260 T HN 0.172 nan 8.240 nan 0.000 0.589 261 I N 2.425 123.002 120.570 0.011 0.000 2.502 261 I HA 0.219 4.389 4.170 -0.000 0.000 0.276 261 I C 1.363 177.456 176.117 -0.039 0.000 1.057 261 I CA -0.368 60.918 61.300 -0.023 0.000 1.163 261 I CB 1.144 39.139 38.000 -0.008 0.000 1.288 261 I HN 0.854 nan 8.210 nan 0.000 0.479 262 Q N 2.715 122.463 119.800 -0.087 0.000 2.112 262 Q HA -0.099 4.241 4.340 -0.000 0.000 0.206 262 Q C 0.287 176.255 176.000 -0.053 0.000 0.987 262 Q CA 1.546 57.297 55.803 -0.087 0.000 0.858 262 Q CB 0.395 29.049 28.738 -0.141 0.000 0.905 262 Q HN 0.430 nan 8.270 nan 0.000 0.420 263 K N -0.907 119.436 120.400 -0.095 0.000 2.533 263 K HA 0.525 4.845 4.320 -0.000 0.000 0.272 263 K C -1.457 175.232 176.600 0.149 0.000 0.985 263 K CA -0.602 55.729 56.287 0.072 0.000 0.876 263 K CB 2.519 35.145 32.500 0.210 0.000 1.452 263 K HN -0.193 nan 8.250 nan 0.000 0.439 264 V N 1.337 121.460 119.914 0.348 0.000 2.876 264 V HA 0.578 4.698 4.120 -0.000 0.000 0.312 264 V C -1.497 174.902 176.094 0.508 0.000 1.085 264 V CA -0.880 61.657 62.300 0.395 0.000 0.945 264 V CB 2.200 34.188 31.823 0.274 0.000 1.017 264 V HN 0.709 nan 8.190 nan 0.000 0.428 265 F N 4.363 124.462 119.950 0.249 0.000 2.617 265 F HA 0.657 5.184 4.527 -0.000 0.000 0.325 265 F C -1.772 174.088 175.800 0.099 0.000 1.179 265 F CA -0.536 57.468 58.000 0.007 0.000 0.965 265 F CB 1.412 40.266 39.000 -0.244 0.000 1.232 265 F HN 0.491 nan 8.300 nan 0.000 0.461 266 Y N 5.725 125.784 120.300 -0.400 0.000 2.338 266 Y HA 0.323 4.873 4.550 -0.000 0.000 0.333 266 Y C 0.160 175.646 175.900 -0.689 0.000 0.968 266 Y CA -0.883 56.985 58.100 -0.386 0.000 1.123 266 Y CB 1.330 39.666 38.460 -0.206 0.000 1.165 266 Y HN 0.748 nan 8.280 nan 0.000 0.452 267 Q N 4.412 123.485 119.800 -1.211 0.000 2.435 267 Q HA -0.269 4.071 4.340 -0.000 0.000 0.312 267 Q C 0.900 175.996 176.000 -1.506 0.000 1.333 267 Q CA 1.395 56.367 55.803 -1.385 0.000 0.883 267 Q CB -1.276 26.615 28.738 -1.411 0.000 1.170 267 Q HN 1.347 nan 8.270 nan 0.000 0.443 268 G N -0.738 107.276 108.800 -1.309 0.000 2.232 268 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.226 268 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.226 268 G C 0.060 174.540 174.900 -0.701 0.000 0.996 268 G CA 0.143 44.766 45.100 -0.794 0.000 0.626 268 G HN 0.320 nan 8.290 nan 0.000 0.509 269 R N -0.565 119.392 120.500 -0.906 0.000 2.778 269 R HA 0.657 4.997 4.340 -0.000 0.000 0.277 269 R C -1.028 174.842 176.300 -0.716 0.000 0.977 269 R CA -0.731 55.022 56.100 -0.579 0.000 0.950 269 R CB 1.116 31.188 30.300 -0.381 0.000 1.165 269 R HN 0.171 nan 8.270 nan 0.000 0.474 270 Y N 1.354 121.395 120.300 -0.432 0.000 2.342 270 Y HA 0.379 4.929 4.550 -0.000 0.000 0.334 270 Y C -0.494 175.081 175.900 -0.541 0.000 1.067 270 Y CA -0.393 57.580 58.100 -0.212 0.000 1.128 270 Y CB 1.201 39.685 38.460 0.040 0.000 1.200 270 Y HN 0.427 nan 8.280 nan 0.000 0.464 271 Y N -0.275 120.172 120.300 0.246 0.000 2.634 271 Y HA 0.264 4.814 4.550 -0.000 0.000 0.340 271 Y C 0.504 176.496 175.900 0.154 0.000 1.058 271 Y CA -1.144 57.048 58.100 0.152 0.000 1.081 271 Y CB 1.330 39.843 38.460 0.088 0.000 1.295 271 Y HN 0.547 nan 8.280 nan 0.000 0.487 272 D N -0.294 120.267 120.400 0.267 0.000 2.366 272 D HA 0.098 4.738 4.640 -0.000 0.000 0.205 272 D C -0.295 176.080 176.300 0.125 0.000 1.022 272 D CA 0.711 54.810 54.000 0.164 0.000 0.868 272 D CB 0.597 41.465 40.800 0.112 0.000 0.953 272 D HN 0.466 nan 8.370 nan 0.000 0.514 273 S N -1.471 114.306 115.700 0.128 0.000 2.615 273 S HA 0.303 4.773 4.470 -0.000 0.000 0.269 273 S C 0.660 175.281 174.600 0.036 0.000 1.161 273 S CA -0.720 57.521 58.200 0.069 0.000 0.817 273 S CB 0.919 64.143 63.200 0.041 0.000 1.131 273 S HN -0.080 nan 8.310 nan 0.000 0.467 274 L N 0.679 121.899 121.223 -0.006 0.000 2.201 274 L HA 0.022 4.362 4.340 -0.000 0.000 0.212 274 L C 2.826 179.643 176.870 -0.089 0.000 1.105 274 L CA 1.532 56.331 54.840 -0.068 0.000 0.775 274 L CB -0.840 41.174 42.059 -0.076 0.000 0.913 274 L HN 0.935 nan 8.230 nan 0.000 0.440 275 A N -0.495 122.296 122.820 -0.048 0.000 1.968 275 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 275 A C 2.263 179.819 177.584 -0.046 0.000 1.169 275 A CA 1.358 53.369 52.037 -0.043 0.000 0.638 275 A CB -0.360 18.629 19.000 -0.018 0.000 0.812 275 A HN 0.450 nan 8.150 nan 0.000 0.446 276 Q N -1.019 118.761 119.800 -0.033 0.000 2.230 276 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 276 Q C 1.862 177.778 176.000 -0.139 0.000 0.963 276 Q CA 1.262 57.053 55.803 -0.020 0.000 0.866 276 Q CB -0.123 28.656 28.738 0.070 0.000 0.931 276 Q HN 0.564 nan 8.270 nan 0.000 0.452 277 L N 0.526 121.581 121.223 -0.280 0.000 2.131 277 L HA -0.045 4.294 4.340 -0.000 0.000 0.206 277 L C 1.953 178.643 176.870 -0.300 0.000 1.087 277 L CA 1.866 56.359 54.840 -0.577 0.000 0.767 277 L CB -0.188 41.501 42.059 -0.615 0.000 0.917 277 L HN 0.141 nan 8.230 nan 0.000 0.441 278 E N -0.180 119.915 120.200 -0.174 0.000 2.285 278 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 278 E C 2.037 178.639 176.600 0.002 0.000 0.997 278 E CA 1.025 57.390 56.400 -0.058 0.000 0.845 278 E CB -0.111 29.544 29.700 -0.075 0.000 0.782 278 E HN 0.522 nan 8.360 nan 0.000 0.491 279 A N 0.658 123.456 122.820 -0.037 0.000 1.858 279 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 279 A C 2.117 179.689 177.584 -0.020 0.000 1.190 279 A CA 1.588 53.612 52.037 -0.022 0.000 0.617 279 A CB -0.555 18.436 19.000 -0.014 0.000 0.827 279 A HN 0.280 nan 8.150 nan 0.000 0.443 280 Q N -1.939 117.843 119.800 -0.029 0.000 2.364 280 Q HA -0.103 4.237 4.340 -0.000 0.000 0.207 280 Q C 1.757 177.772 176.000 0.025 0.000 0.970 280 Q CA 1.145 56.946 55.803 -0.003 0.000 0.888 280 Q CB -0.180 28.556 28.738 -0.003 0.000 0.951 280 Q HN 0.801 nan 8.270 nan 0.000 0.469 281 F N 1.567 121.457 119.950 -0.101 0.000 2.179 281 F HA -0.008 4.519 4.527 -0.000 0.000 0.292 281 F C 1.855 177.637 175.800 -0.031 0.000 1.089 281 F CA 1.054 59.012 58.000 -0.070 0.000 1.295 281 F CB 0.052 38.985 39.000 -0.110 0.000 1.041 281 F HN -0.066 nan 8.300 nan 0.000 0.487 282 E N 0.399 120.393 120.200 -0.343 0.000 2.150 282 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 282 E C 1.926 178.371 176.600 -0.258 0.000 0.985 282 E CA 0.801 56.989 56.400 -0.353 0.000 0.814 282 E CB -0.323 29.314 29.700 -0.105 0.000 0.752 282 E HN 0.437 nan 8.360 nan 0.000 0.466 283 A N 0.518 123.239 122.820 -0.165 0.000 2.258 283 A HA 0.156 4.476 4.320 -0.000 0.000 0.206 283 A C 1.648 179.161 177.584 -0.119 0.000 1.222 283 A CA 0.721 52.694 52.037 -0.108 0.000 0.822 283 A CB -0.894 18.076 19.000 -0.050 0.000 0.804 283 A HN 0.325 nan 8.150 nan 0.000 0.483 284 G N -1.117 107.553 108.800 -0.217 0.000 2.269 284 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.277 284 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.277 284 G C 0.608 175.468 174.900 -0.067 0.000 1.008 284 G CA 0.726 45.716 45.100 -0.184 0.000 0.774 284 G HN 0.589 nan 8.290 nan 0.000 0.511 285 L N -0.609 120.597 121.223 -0.029 0.000 2.607 285 L HA 0.333 4.673 4.340 -0.000 0.000 0.228 285 L C 0.415 177.343 176.870 0.097 0.000 1.123 285 L CA 0.103 54.966 54.840 0.038 0.000 0.890 285 L CB 0.630 42.717 42.059 0.046 0.000 1.103 285 L HN 0.130 nan 8.230 nan 0.000 0.468 286 V N 0.613 120.606 119.914 0.133 0.000 2.380 286 V HA 0.169 4.289 4.120 -0.000 0.000 0.286 286 V C -0.001 176.239 176.094 0.243 0.000 1.015 286 V CA -0.840 61.586 62.300 0.211 0.000 0.834 286 V CB 1.522 33.499 31.823 0.258 0.000 1.009 286 V HN 0.173 nan 8.190 nan 0.000 0.428 287 N N 4.136 122.958 118.700 0.204 0.000 2.429 287 N HA 0.055 4.795 4.740 -0.000 0.000 0.271 287 N C -0.732 174.927 175.510 0.248 0.000 1.272 287 N CA 0.342 53.514 53.050 0.204 0.000 0.921 287 N CB 1.347 39.947 38.487 0.188 0.000 1.128 287 N HN 0.424 nan 8.380 nan 0.000 0.481 288 V N 4.621 124.684 119.914 0.248 0.000 2.483 288 V HA 0.389 4.509 4.120 -0.000 0.000 0.295 288 V C -0.249 175.969 176.094 0.206 0.000 1.035 288 V CA -0.591 61.855 62.300 0.243 0.000 0.896 288 V CB 1.905 33.837 31.823 0.183 0.000 0.986 288 V HN 0.340 nan 8.190 nan 0.000 0.447 289 V N 6.466 126.518 119.914 0.230 0.000 2.581 289 V HA 0.441 4.561 4.120 -0.000 0.000 0.303 289 V C -0.282 175.927 176.094 0.192 0.000 1.041 289 V CA -0.857 61.581 62.300 0.230 0.000 0.907 289 V CB 1.733 33.748 31.823 0.319 0.000 0.994 289 V HN 0.691 nan 8.190 nan 0.000 0.442 290 L N 5.259 126.589 121.223 0.178 0.000 2.283 290 L HA 0.479 4.819 4.340 -0.000 0.000 0.287 290 L C -0.360 176.632 176.870 0.202 0.000 1.073 290 L CA 0.405 55.355 54.840 0.185 0.000 0.822 290 L CB 0.324 42.481 42.059 0.164 0.000 1.186 290 L HN 0.484 nan 8.230 nan 0.000 0.436 291 I N 8.339 129.019 120.570 0.183 0.000 2.337 291 I HA 0.285 4.455 4.170 -0.000 0.000 0.291 291 I C -1.778 174.490 176.117 0.251 0.000 1.046 291 I CA -1.520 59.831 61.300 0.085 0.000 1.324 291 I CB 0.441 38.472 38.000 0.051 0.000 1.409 291 I HN 0.537 nan 8.210 nan 0.000 0.494 292 P HA -0.037 nan 4.420 nan 0.000 0.270 292 P C -0.095 177.151 177.300 -0.090 0.000 1.221 292 P CA 0.343 63.437 63.100 -0.009 0.000 0.788 292 P CB 0.775 32.493 31.700 0.030 0.000 0.904 293 D N -1.178 118.910 120.400 -0.520 0.000 2.212 293 D HA 0.016 4.656 4.640 -0.000 0.000 0.311 293 D C 0.143 176.031 176.300 -0.687 0.000 1.091 293 D CA 0.176 53.599 54.000 -0.962 0.000 0.910 293 D CB 0.114 40.065 40.800 -1.415 0.000 1.707 293 D HN 0.533 nan 8.370 nan 0.000 0.522 294 N N -1.306 116.918 118.700 -0.793 0.000 2.890 294 N HA 0.675 5.415 4.740 -0.000 0.000 0.317 294 N C 0.035 174.521 175.510 -1.707 0.000 1.355 294 N CA -0.492 51.918 53.050 -1.067 0.000 0.803 294 N CB 2.452 40.639 38.487 -0.499 0.000 1.465 294 N HN 0.100 nan 8.380 nan 0.000 0.591 295 G N -1.285 106.502 108.800 -1.687 0.000 2.340 295 G HA2 0.425 4.385 3.960 -0.000 0.000 0.299 295 G HA3 0.425 4.385 3.960 -0.000 0.000 0.299 295 G C -1.697 172.726 174.900 -0.794 0.000 1.291 295 G CA -0.330 43.842 45.100 -1.548 0.000 0.841 295 G HN 0.892 nan 8.290 nan 0.000 0.500 296 T N -3.023 111.367 114.554 -0.274 0.000 2.900 296 T HA 0.753 5.103 4.350 -0.000 0.000 0.295 296 T C 0.415 175.273 174.700 0.263 0.000 1.044 296 T CA 0.374 62.505 62.100 0.051 0.000 0.995 296 T CB 1.535 70.407 68.868 0.006 0.000 1.072 296 T HN 2.655 nan 8.240 nan 0.000 0.473 297 G N 0.107 109.053 108.800 0.243 0.000 3.414 297 G HA2 0.327 4.287 3.960 -0.000 0.000 0.504 297 G HA3 0.327 4.287 3.960 -0.000 0.000 0.504 297 G C 0.946 175.984 174.900 0.230 0.000 0.936 297 G CA 0.399 45.619 45.100 0.200 0.000 0.748 297 G HN 2.453 nan 8.290 nan 0.000 0.408 298 G N 1.742 110.653 108.800 0.185 0.000 4.526 298 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 298 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 298 G C 1.951 176.928 174.900 0.129 0.000 1.428 298 G CA 1.242 46.419 45.100 0.128 0.000 0.928 298 G HN 2.044 nan 8.290 nan 0.000 0.639 299 S N 0.112 115.889 115.700 0.129 0.000 2.442 299 S HA -0.018 4.452 4.470 -0.000 0.000 0.236 299 S C 1.576 176.030 174.600 -0.242 0.000 1.007 299 S CA 2.086 60.261 58.200 -0.042 0.000 0.965 299 S CB -0.289 62.889 63.200 -0.035 0.000 0.773 299 S HN 0.693 nan 8.310 nan 0.000 0.504 300 W N 0.087 121.517 121.300 0.215 0.000 2.942 300 W HA 0.491 5.151 4.660 -0.000 0.000 0.260 300 W C 0.982 177.588 176.519 0.144 0.000 1.101 300 W CA -0.384 57.090 57.345 0.214 0.000 1.436 300 W CB -0.155 29.410 29.460 0.176 0.000 0.883 300 W HN -0.021 nan 8.180 nan 0.000 0.646 301 S N 0.168 116.054 115.700 0.309 0.000 2.689 301 S HA 0.573 5.043 4.470 -0.000 0.000 0.306 301 S C 0.219 174.924 174.600 0.174 0.000 1.104 301 S CA -0.502 57.827 58.200 0.214 0.000 0.973 301 S CB 1.206 64.509 63.200 0.172 0.000 1.121 301 S HN 0.057 nan 8.310 nan 0.000 0.523 302 L N 0.997 122.305 121.223 0.143 0.000 2.642 302 L HA 0.397 4.737 4.340 -0.000 0.000 0.233 302 L C 0.831 177.740 176.870 0.065 0.000 1.077 302 L CA 0.099 54.999 54.840 0.100 0.000 0.879 302 L CB 0.113 42.239 42.059 0.112 0.000 1.151 302 L HN 0.513 nan 8.230 nan 0.000 0.495 303 K N 1.604 122.045 120.400 0.069 0.000 2.383 303 K HA 0.058 4.378 4.320 -0.000 0.000 0.286 303 K C 0.126 176.749 176.600 0.038 0.000 1.051 303 K CA 0.036 56.350 56.287 0.046 0.000 0.974 303 K CB 0.875 33.401 32.500 0.045 0.000 0.968 303 K HN -0.105 nan 8.250 nan 0.000 0.475 304 S N 4.493 120.206 115.700 0.021 0.000 2.562 304 S HA 0.129 4.599 4.470 -0.000 0.000 0.281 304 S C -1.152 173.456 174.600 0.014 0.000 1.333 304 S CA -1.355 56.854 58.200 0.015 0.000 1.052 304 S CB 0.724 63.925 63.200 0.002 0.000 0.884 304 S HN 0.575 nan 8.310 nan 0.000 0.506 305 P HA 0.089 nan 4.420 nan 0.000 0.231 305 P C -0.068 177.234 177.300 0.004 0.000 1.168 305 P CA 0.217 63.324 63.100 0.012 0.000 0.779 305 P CB -0.050 31.660 31.700 0.017 0.000 0.844 306 V N 3.208 123.123 119.914 0.001 0.000 2.614 306 V HA 0.171 4.291 4.120 -0.000 0.000 0.291 306 V C -1.861 174.228 176.094 -0.010 0.000 1.049 306 V CA -1.223 61.075 62.300 -0.005 0.000 1.038 306 V CB 0.066 31.886 31.823 -0.006 0.000 0.980 306 V HN 0.093 nan 8.190 nan 0.000 0.481 307 P HA 0.390 nan 4.420 nan 0.000 0.276 307 P C -2.635 174.652 177.300 -0.022 0.000 1.244 307 P CA -1.482 61.608 63.100 -0.017 0.000 0.801 307 P CB -0.325 31.365 31.700 -0.016 0.000 1.006 308 P HA 0.263 nan 4.420 nan 0.000 0.268 308 P C 0.333 177.614 177.300 -0.032 0.000 1.204 308 P CA 0.101 63.181 63.100 -0.034 0.000 0.768 308 P CB 0.452 32.127 31.700 -0.043 0.000 0.842 309 G N 2.879 111.661 108.800 -0.031 0.000 2.606 309 G HA2 0.535 4.495 3.960 -0.000 0.000 0.262 309 G HA3 0.535 4.495 3.960 -0.000 0.000 0.262 309 G C -2.180 172.701 174.900 -0.032 0.000 1.394 309 G CA -0.983 44.100 45.100 -0.028 0.000 1.044 309 G HN 0.430 nan 8.290 nan 0.000 0.553 310 P HA 0.345 nan 4.420 nan 0.000 0.269 310 P C -0.361 176.917 177.300 -0.036 0.000 1.211 310 P CA -0.016 63.065 63.100 -0.032 0.000 0.781 310 P CB 0.538 32.222 31.700 -0.027 0.000 0.877 311 A N 2.482 125.277 122.820 -0.042 0.000 2.316 311 A HA 0.586 4.906 4.320 -0.000 0.000 0.284 311 A C -1.889 175.671 177.584 -0.039 0.000 1.115 311 A CA -1.120 50.888 52.037 -0.048 0.000 0.812 311 A CB -1.052 17.910 19.000 -0.064 0.000 1.064 311 A HN 0.448 nan 8.150 nan 0.000 0.489 312 P HA 0.410 nan 4.420 nan 0.000 0.272 312 P C -2.469 174.819 177.300 -0.021 0.000 1.240 312 P CA -0.823 62.262 63.100 -0.026 0.000 0.791 312 P CB -0.564 31.122 31.700 -0.024 0.000 0.978 313 P HA 0.144 nan 4.420 nan 0.000 0.265 313 P C -0.939 176.368 177.300 0.011 0.000 1.193 313 P CA -0.010 63.094 63.100 0.007 0.000 0.765 313 P CB 0.186 31.896 31.700 0.016 0.000 0.823 314 L N 2.402 123.639 121.223 0.023 0.000 2.346 314 L HA 0.448 4.788 4.340 -0.000 0.000 0.274 314 L C -0.571 176.358 176.870 0.098 0.000 1.007 314 L CA -0.370 54.491 54.840 0.036 0.000 0.818 314 L CB 1.883 43.937 42.059 -0.007 0.000 1.284 314 L HN 0.280 nan 8.230 nan 0.000 0.424 315 Q N 3.774 123.628 119.800 0.090 0.000 2.312 315 Q HA 0.609 4.949 4.340 -0.000 0.000 0.263 315 Q C -1.527 174.518 176.000 0.074 0.000 0.995 315 Q CA -0.609 55.249 55.803 0.092 0.000 0.853 315 Q CB 2.033 30.791 28.738 0.034 0.000 1.300 315 Q HN 0.663 nan 8.270 nan 0.000 0.448 316 F N -0.696 119.137 119.950 -0.195 0.000 2.664 316 F HA 0.580 5.107 4.527 -0.000 0.000 0.317 316 F C -1.727 173.899 175.800 -0.290 0.000 1.108 316 F CA -1.304 56.498 58.000 -0.331 0.000 0.957 316 F CB 1.080 40.004 39.000 -0.127 0.000 1.365 316 F HN 0.302 nan 8.300 nan 0.000 0.475 317 Y N 1.344 121.644 120.300 0.001 0.000 2.593 317 Y HA 0.430 4.980 4.550 -0.000 0.000 0.331 317 Y C -2.060 173.774 175.900 -0.110 0.000 0.986 317 Y CA -2.805 55.228 58.100 -0.112 0.000 1.262 317 Y CB 0.412 38.900 38.460 0.046 0.000 1.098 317 Y HN 0.377 nan 8.280 nan 0.000 0.506 318 P HA -0.219 nan 4.420 nan 0.000 0.218 318 P C 0.018 177.395 177.300 0.128 0.000 1.154 318 P CA 1.758 64.843 63.100 -0.026 0.000 0.872 318 P CB 0.250 31.895 31.700 -0.092 0.000 0.790 319 Q N -1.025 118.836 119.800 0.100 0.000 2.831 319 Q HA 0.511 4.850 4.340 -0.000 0.000 0.366 319 Q C 0.152 176.207 176.000 0.092 0.000 0.899 319 Q CA -0.418 55.442 55.803 0.096 0.000 0.987 319 Q CB 0.285 29.061 28.738 0.064 0.000 1.382 319 Q HN 0.097 nan 8.270 nan 0.000 0.403 320 G N 1.818 110.701 108.800 0.138 0.000 2.758 320 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.686 320 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.686 320 G C -2.838 172.093 174.900 0.052 0.000 1.389 320 G CA -1.015 44.150 45.100 0.108 0.000 0.845 320 G HN 0.360 nan 8.290 nan 0.000 0.572 321 P HA 0.344 nan 4.420 nan 0.000 0.270 321 P C 0.460 177.588 177.300 -0.286 0.000 1.223 321 P CA -0.099 62.762 63.100 -0.398 0.000 0.785 321 P CB 0.351 31.734 31.700 -0.529 0.000 0.923 322 R N 1.192 121.557 120.500 -0.226 0.000 2.652 322 R HA 0.336 4.676 4.340 -0.000 0.000 0.372 322 R C -0.369 175.982 176.300 0.086 0.000 1.104 322 R CA -0.096 55.977 56.100 -0.046 0.000 1.072 322 R CB -0.249 30.050 30.300 -0.003 0.000 1.367 322 R HN 0.535 nan 8.270 nan 0.000 0.577 323 F N -1.696 118.167 119.950 -0.145 0.000 2.693 323 F HA 0.630 5.157 4.527 -0.000 0.000 0.309 323 F C -1.037 174.704 175.800 -0.098 0.000 1.129 323 F CA -1.244 56.687 58.000 -0.115 0.000 0.948 323 F CB 1.272 40.200 39.000 -0.120 0.000 1.315 323 F HN -0.141 nan 8.300 nan 0.000 0.447 324 S N 0.955 116.619 115.700 -0.061 0.000 2.549 324 S HA 0.824 5.294 4.470 -0.000 0.000 0.280 324 S C -1.835 172.775 174.600 0.017 0.000 1.109 324 S CA -0.759 57.362 58.200 -0.131 0.000 0.905 324 S CB 1.696 64.835 63.200 -0.101 0.000 1.081 324 S HN 0.854 nan 8.310 nan 0.000 0.477 325 V N 2.475 122.402 119.914 0.021 0.000 2.334 325 V HA 0.484 4.604 4.120 -0.000 0.000 0.281 325 V C -0.600 175.523 176.094 0.048 0.000 1.016 325 V CA -0.327 62.022 62.300 0.081 0.000 0.832 325 V CB 1.029 32.946 31.823 0.156 0.000 0.999 325 V HN 0.955 nan 8.190 nan 0.000 0.439 326 Q N 3.319 123.136 119.800 0.029 0.000 2.425 326 Q HA 0.604 4.944 4.340 -0.000 0.000 0.254 326 Q C 0.751 176.753 176.000 0.003 0.000 1.032 326 Q CA 0.845 56.656 55.803 0.013 0.000 0.798 326 Q CB 1.411 30.145 28.738 -0.006 0.000 1.210 326 Q HN 1.048 nan 8.270 nan 0.000 0.491 327 G N 1.601 110.405 108.800 0.006 0.000 2.595 327 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.297 327 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.297 327 G C 0.693 175.501 174.900 -0.153 0.000 1.181 327 G CA 0.477 45.549 45.100 -0.047 0.000 0.963 327 G HN 0.962 nan 8.290 nan 0.000 0.541 328 S N 0.668 116.233 115.700 -0.226 0.000 2.557 328 S HA 0.477 4.947 4.470 -0.000 0.000 0.223 328 S C 0.800 175.266 174.600 -0.222 0.000 0.969 328 S CA 0.407 58.305 58.200 -0.503 0.000 0.927 328 S CB 0.279 63.263 63.200 -0.360 0.000 0.806 328 S HN 0.675 nan 8.310 nan 0.000 0.489 329 R N 1.233 121.711 120.500 -0.036 0.000 2.393 329 R HA 0.587 4.927 4.340 -0.000 0.000 0.315 329 R C -1.410 174.837 176.300 -0.089 0.000 0.952 329 R CA -0.462 55.617 56.100 -0.036 0.000 0.842 329 R CB 2.071 32.347 30.300 -0.040 0.000 1.163 329 R HN 0.140 nan 8.270 nan 0.000 0.450 330 V N 1.949 121.638 119.914 -0.374 0.000 2.532 330 V HA 0.738 4.858 4.120 -0.000 0.000 0.295 330 V C -0.005 175.813 176.094 -0.461 0.000 1.041 330 V CA -0.674 61.323 62.300 -0.505 0.000 0.926 330 V CB 1.666 32.861 31.823 -1.046 0.000 0.992 330 V HN 0.907 nan 8.190 nan 0.000 0.457 331 A N 3.274 125.973 122.820 -0.201 0.000 2.486 331 A HA 0.943 5.263 4.320 -0.000 0.000 0.300 331 A C -0.398 177.180 177.584 -0.010 0.000 1.048 331 A CA -0.077 51.895 52.037 -0.109 0.000 0.696 331 A CB 2.090 21.047 19.000 -0.073 0.000 1.278 331 A HN 1.234 nan 8.150 nan 0.000 0.405 332 S N 0.071 115.776 115.700 0.009 0.000 2.656 332 S HA 0.590 5.060 4.470 -0.000 0.000 0.273 332 S C 1.036 175.634 174.600 -0.003 0.000 1.168 332 S CA 0.389 58.618 58.200 0.049 0.000 0.817 332 S CB 0.923 64.191 63.200 0.113 0.000 1.146 332 S HN 1.821 nan 8.310 nan 0.000 0.475 333 S N -0.074 115.622 115.700 -0.006 0.000 2.389 333 S HA -0.152 4.318 4.470 -0.000 0.000 0.231 333 S C 1.399 175.913 174.600 -0.145 0.000 1.052 333 S CA 2.119 60.286 58.200 -0.055 0.000 1.053 333 S CB -0.900 62.284 63.200 -0.026 0.000 0.886 333 S HN 0.615 nan 8.310 nan 0.000 0.456 334 L N -2.469 118.655 121.223 -0.166 0.000 2.445 334 L HA 0.383 4.723 4.340 -0.000 0.000 0.207 334 L C 0.167 176.681 176.870 -0.593 0.000 1.053 334 L CA -0.200 54.345 54.840 -0.492 0.000 0.841 334 L CB 0.036 41.810 42.059 -0.475 0.000 1.074 334 L HN 0.285 nan 8.230 nan 0.000 0.479 335 W N -0.484 120.751 121.300 -0.107 0.000 2.632 335 W HA 0.525 5.185 4.660 -0.000 0.000 0.328 335 W C -0.181 176.278 176.519 -0.101 0.000 1.044 335 W CA -0.397 56.908 57.345 -0.067 0.000 1.225 335 W CB 1.887 31.271 29.460 -0.127 0.000 1.396 335 W HN -0.394 nan 8.180 nan 0.000 0.499 336 T N 4.042 118.740 114.554 0.241 0.000 2.886 336 T HA 0.718 5.068 4.350 -0.000 0.000 0.292 336 T C -1.428 173.399 174.700 0.212 0.000 1.012 336 T CA -0.394 61.754 62.100 0.080 0.000 0.982 336 T CB 0.562 69.445 68.868 0.026 0.000 1.018 336 T HN 0.267 nan 8.240 nan 0.000 0.451 337 F N 0.371 120.322 119.950 0.002 0.000 2.744 337 F HA 0.770 5.297 4.527 -0.000 0.000 0.311 337 F C -0.731 175.119 175.800 0.085 0.000 1.144 337 F CA -1.154 56.858 58.000 0.021 0.000 0.938 337 F CB 0.771 39.742 39.000 -0.049 0.000 1.292 337 F HN 0.433 nan 8.300 nan 0.000 0.444 338 S N 1.509 117.400 115.700 0.319 0.000 2.690 338 S HA 0.917 5.387 4.470 -0.000 0.000 0.291 338 S C -1.075 173.831 174.600 0.509 0.000 1.138 338 S CA -0.349 58.029 58.200 0.297 0.000 1.013 338 S CB 1.239 64.588 63.200 0.248 0.000 1.053 338 S HN 1.280 nan 8.310 nan 0.000 0.539 339 F N -0.433 119.636 119.950 0.199 0.000 2.686 339 F HA 0.908 5.435 4.527 -0.000 0.000 0.311 339 F C -0.286 175.548 175.800 0.057 0.000 1.128 339 F CA -0.163 57.929 58.000 0.154 0.000 0.946 339 F CB 1.057 40.144 39.000 0.145 0.000 1.336 339 F HN 0.937 nan 8.300 nan 0.000 0.457 340 G N 0.963 109.914 108.800 0.252 0.000 2.349 340 G HA2 0.515 4.475 3.960 -0.000 0.000 0.294 340 G HA3 0.515 4.475 3.960 -0.000 0.000 0.294 340 G C -2.721 172.415 174.900 0.392 0.000 1.380 340 G CA -1.066 44.162 45.100 0.213 0.000 0.811 340 G HN 0.861 nan 8.290 nan 0.000 0.519 341 L N 0.867 122.328 121.223 0.397 0.000 2.356 341 L HA 0.636 4.976 4.340 -0.000 0.000 0.277 341 L C 1.017 178.026 176.870 0.232 0.000 0.996 341 L CA -0.794 54.107 54.840 0.102 0.000 0.822 341 L CB 2.018 43.768 42.059 -0.514 0.000 1.256 341 L HN 0.822 nan 8.230 nan 0.000 0.413 342 G N 1.072 109.953 108.800 0.135 0.000 2.527 342 G HA2 0.368 4.328 3.960 -0.000 0.000 0.248 342 G HA3 0.368 4.328 3.960 -0.000 0.000 0.248 342 G C 0.852 175.769 174.900 0.029 0.000 1.231 342 G CA 0.240 45.427 45.100 0.146 0.000 0.838 342 G HN 0.834 nan 8.290 nan 0.000 0.570 343 A N 0.769 123.554 122.820 -0.059 0.000 1.968 343 A HA 0.188 4.508 4.320 -0.000 0.000 0.217 343 A C 1.658 178.849 177.584 -0.655 0.000 1.169 343 A CA 1.253 53.050 52.037 -0.400 0.000 0.638 343 A CB -0.175 18.321 19.000 -0.840 0.000 0.812 343 A HN 0.559 nan 8.150 nan 0.000 0.446 344 F N -0.805 119.207 119.950 0.103 0.000 2.557 344 F HA 0.071 4.598 4.527 -0.000 0.000 0.278 344 F C 2.689 178.489 175.800 0.001 0.000 1.051 344 F CA 0.691 58.736 58.000 0.075 0.000 1.357 344 F CB -0.563 38.486 39.000 0.082 0.000 1.104 344 F HN 0.198 nan 8.300 nan 0.000 0.654 345 S N -0.035 115.744 115.700 0.132 0.000 2.402 345 S HA 0.299 4.769 4.470 -0.000 0.000 0.229 345 S C 1.555 176.037 174.600 -0.197 0.000 1.021 345 S CA 0.790 58.974 58.200 -0.026 0.000 0.974 345 S CB -0.868 62.346 63.200 0.023 0.000 0.800 345 S HN 0.724 nan 8.310 nan 0.000 0.484 346 G N 1.281 109.973 108.800 -0.181 0.000 2.542 346 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.235 346 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.235 346 G C -2.937 171.795 174.900 -0.280 0.000 1.286 346 G CA -0.541 44.370 45.100 -0.315 0.000 0.904 346 G HN 0.517 nan 8.290 nan 0.000 0.577 347 P HA 0.297 nan 4.420 nan 0.000 0.267 347 P C 0.062 177.288 177.300 -0.123 0.000 1.195 347 P CA 1.046 64.046 63.100 -0.165 0.000 0.773 347 P CB 0.205 31.789 31.700 -0.193 0.000 0.837 348 R N 1.502 121.991 120.500 -0.017 0.000 2.664 348 R HA 0.668 5.008 4.340 -0.000 0.000 0.260 348 R C -1.482 174.780 176.300 -0.064 0.000 1.062 348 R CA -0.950 55.083 56.100 -0.113 0.000 0.902 348 R CB 0.518 30.762 30.300 -0.093 0.000 1.258 348 R HN 0.374 nan 8.270 nan 0.000 0.465 349 I N -1.175 119.219 120.570 -0.293 0.000 2.647 349 I HA 0.713 4.883 4.170 -0.000 0.000 0.295 349 I C -1.265 174.508 176.117 -0.573 0.000 1.078 349 I CA -1.027 60.169 61.300 -0.174 0.000 1.048 349 I CB 1.927 39.860 38.000 -0.112 0.000 1.239 349 I HN 0.480 nan 8.210 nan 0.000 0.421 350 F N 1.474 121.294 119.950 -0.217 0.000 2.593 350 F HA 0.460 4.987 4.527 -0.000 0.000 0.320 350 F C 0.281 175.858 175.800 -0.372 0.000 1.060 350 F CA -0.418 57.239 58.000 -0.573 0.000 0.940 350 F CB 1.456 39.650 39.000 -1.343 0.000 1.268 350 F HN 0.735 nan 8.300 nan 0.000 0.475 351 D N 1.197 121.468 120.400 -0.216 0.000 2.699 351 D HA -0.154 4.486 4.640 -0.000 0.000 0.239 351 D C -0.993 175.381 176.300 0.124 0.000 1.136 351 D CA 0.278 54.264 54.000 -0.023 0.000 0.668 351 D CB -0.715 40.105 40.800 0.032 0.000 1.060 351 D HN 0.157 nan 8.370 nan 0.000 0.429 352 V N 2.331 122.327 119.914 0.136 0.000 2.439 352 V HA 0.239 4.359 4.120 -0.000 0.000 0.271 352 V C 1.176 177.452 176.094 0.303 0.000 1.040 352 V CA 0.317 62.780 62.300 0.272 0.000 1.002 352 V CB 1.024 32.989 31.823 0.236 0.000 1.000 352 V HN 0.135 nan 8.190 nan 0.000 0.477 353 R N 4.567 125.277 120.500 0.351 0.000 2.422 353 R HA 0.356 4.695 4.340 -0.000 0.000 0.307 353 R C -1.109 175.308 176.300 0.196 0.000 1.004 353 R CA -0.541 55.708 56.100 0.249 0.000 0.882 353 R CB 1.856 32.249 30.300 0.154 0.000 1.164 353 R HN 0.633 nan 8.270 nan 0.000 0.489 354 F N 3.037 122.968 119.950 -0.032 0.000 2.424 354 F HA 0.071 4.598 4.527 -0.000 0.000 0.356 354 F C 0.750 176.463 175.800 -0.144 0.000 1.110 354 F CA 0.195 57.955 58.000 -0.400 0.000 1.161 354 F CB 0.746 39.452 39.000 -0.491 0.000 1.115 354 F HN 0.609 nan 8.300 nan 0.000 0.507 355 Q N 4.681 123.957 119.800 -0.873 0.000 2.435 355 Q HA -0.249 4.091 4.340 -0.000 0.000 0.312 355 Q C 1.145 177.049 176.000 -0.160 0.000 1.333 355 Q CA 0.916 56.415 55.803 -0.507 0.000 0.883 355 Q CB -1.499 26.942 28.738 -0.494 0.000 1.170 355 Q HN 1.339 nan 8.270 nan 0.000 0.443 356 G N -0.220 108.518 108.800 -0.102 0.000 2.189 356 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.267 356 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.267 356 G C -0.076 174.861 174.900 0.062 0.000 0.975 356 G CA 0.642 45.737 45.100 -0.008 0.000 0.644 356 G HN 0.557 nan 8.290 nan 0.000 0.537 357 E N 0.222 120.495 120.200 0.122 0.000 2.216 357 E HA 0.545 4.895 4.350 -0.000 0.000 0.279 357 E C 0.600 177.324 176.600 0.207 0.000 0.997 357 E CA -1.076 55.433 56.400 0.182 0.000 0.817 357 E CB 0.594 30.453 29.700 0.266 0.000 1.096 357 E HN 0.383 nan 8.360 nan 0.000 0.393 358 R N 4.602 125.210 120.500 0.181 0.000 2.491 358 R HA 0.120 4.460 4.340 -0.000 0.000 0.283 358 R C 0.287 176.673 176.300 0.143 0.000 1.072 358 R CA 0.002 56.203 56.100 0.168 0.000 1.048 358 R CB 0.465 30.860 30.300 0.159 0.000 0.983 358 R HN 0.721 nan 8.270 nan 0.000 0.450 359 L N 4.212 125.478 121.223 0.071 0.000 2.435 359 L HA 0.223 4.563 4.340 -0.000 0.000 0.195 359 L C 0.387 177.206 176.870 -0.084 0.000 1.072 359 L CA 0.033 54.795 54.840 -0.130 0.000 0.833 359 L CB 0.240 42.088 42.059 -0.352 0.000 1.081 359 L HN 0.513 nan 8.230 nan 0.000 0.485 360 V N -3.658 116.247 119.914 -0.016 0.000 2.604 360 V HA 0.272 4.391 4.120 -0.000 0.000 0.305 360 V C 0.497 176.618 176.094 0.045 0.000 1.043 360 V CA -0.741 61.555 62.300 -0.007 0.000 0.888 360 V CB 1.733 33.514 31.823 -0.070 0.000 0.995 360 V HN 0.269 nan 8.190 nan 0.000 0.429 361 Y N 3.217 123.503 120.300 -0.024 0.000 2.184 361 Y HA 0.300 4.850 4.550 -0.000 0.000 0.290 361 Y C 1.110 176.973 175.900 -0.061 0.000 1.129 361 Y CA 1.881 59.987 58.100 0.010 0.000 1.144 361 Y CB 0.424 38.914 38.460 0.051 0.000 0.995 361 Y HN 0.864 nan 8.280 nan 0.000 0.513 362 E N 0.250 120.381 120.200 -0.115 0.000 2.335 362 E HA 0.412 4.762 4.350 -0.000 0.000 0.280 362 E C -1.875 174.513 176.600 -0.353 0.000 0.918 362 E CA -0.563 55.567 56.400 -0.449 0.000 0.765 362 E CB 1.470 31.019 29.700 -0.252 0.000 1.218 362 E HN 0.172 nan 8.360 nan 0.000 0.425 363 I N 3.095 123.395 120.570 -0.451 0.000 2.499 363 I HA 0.356 4.526 4.170 -0.000 0.000 0.288 363 I C -0.995 174.942 176.117 -0.301 0.000 1.048 363 I CA -0.678 60.457 61.300 -0.275 0.000 1.062 363 I CB 1.995 39.875 38.000 -0.199 0.000 1.238 363 I HN 0.528 nan 8.210 nan 0.000 0.426 364 S N 5.889 121.478 115.700 -0.186 0.000 2.603 364 S HA 0.469 4.939 4.470 -0.000 0.000 0.274 364 S C -0.930 173.572 174.600 -0.163 0.000 1.168 364 S CA -0.811 57.281 58.200 -0.180 0.000 0.963 364 S CB 1.813 64.902 63.200 -0.186 0.000 1.078 364 S HN 0.511 nan 8.310 nan 0.000 0.477 365 L N 2.578 123.634 121.223 -0.279 0.000 2.559 365 L HA 0.248 4.588 4.340 -0.000 0.000 0.282 365 L C 1.013 177.614 176.870 -0.449 0.000 1.232 365 L CA 1.133 55.607 54.840 -0.610 0.000 0.885 365 L CB 0.220 41.746 42.059 -0.888 0.000 1.131 365 L HN 0.875 nan 8.230 nan 0.000 0.498 366 Q N 2.072 121.559 119.800 -0.522 0.000 2.548 366 Q HA 0.301 4.641 4.340 -0.000 0.000 0.230 366 Q C -0.233 175.533 176.000 -0.389 0.000 0.899 366 Q CA 0.462 56.064 55.803 -0.335 0.000 0.936 366 Q CB 0.518 29.097 28.738 -0.265 0.000 1.114 366 Q HN 0.720 nan 8.270 nan 0.000 0.606 367 E N -1.208 118.638 120.200 -0.589 0.000 2.388 367 E HA 0.654 5.004 4.350 -0.000 0.000 0.282 367 E C -1.988 174.330 176.600 -0.470 0.000 1.026 367 E CA -0.246 55.875 56.400 -0.465 0.000 0.820 367 E CB 1.625 31.037 29.700 -0.480 0.000 1.226 367 E HN 0.089 nan 8.360 nan 0.000 0.432 368 A N 2.402 125.111 122.820 -0.186 0.000 2.355 368 A HA 0.885 5.205 4.320 -0.000 0.000 0.324 368 A C -1.573 176.110 177.584 0.165 0.000 1.117 368 A CA -0.592 51.397 52.037 -0.079 0.000 0.785 368 A CB 1.046 19.911 19.000 -0.225 0.000 1.254 368 A HN 0.490 nan 8.150 nan 0.000 0.453 369 L N 0.684 122.033 121.223 0.211 0.000 2.393 369 L HA 0.905 5.245 4.340 -0.000 0.000 0.260 369 L C -0.539 176.361 176.870 0.050 0.000 1.002 369 L CA -0.069 54.831 54.840 0.100 0.000 0.818 369 L CB 2.165 44.193 42.059 -0.052 0.000 1.369 369 L HN 1.282 nan 8.230 nan 0.000 0.412 370 A N 4.836 127.654 122.820 -0.004 0.000 2.547 370 A HA 0.699 5.019 4.320 -0.000 0.000 0.279 370 A C -1.421 176.159 177.584 -0.008 0.000 1.088 370 A CA -0.175 51.840 52.037 -0.037 0.000 0.796 370 A CB 0.436 19.499 19.000 0.104 0.000 1.308 370 A HN 0.561 nan 8.150 nan 0.000 0.415 371 I N 2.922 123.415 120.570 -0.129 0.000 2.330 371 I HA 0.417 4.587 4.170 -0.000 0.000 0.289 371 I C -0.685 175.393 176.117 -0.065 0.000 1.001 371 I CA -0.355 60.901 61.300 -0.072 0.000 1.193 371 I CB 0.873 38.797 38.000 -0.127 0.000 1.345 371 I HN 0.644 nan 8.210 nan 0.000 0.461 372 Y N 3.771 124.044 120.300 -0.045 0.000 2.519 372 Y HA 0.815 5.365 4.550 -0.000 0.000 0.324 372 Y C 0.791 176.688 175.900 -0.006 0.000 1.214 372 Y CA -0.518 57.578 58.100 -0.007 0.000 1.260 372 Y CB 1.920 40.342 38.460 -0.062 0.000 1.311 372 Y HN 0.519 nan 8.280 nan 0.000 0.505 373 G N -1.119 107.795 108.800 0.190 0.000 2.694 373 G HA2 0.655 4.615 3.960 -0.000 0.000 0.290 373 G HA3 0.655 4.615 3.960 -0.000 0.000 0.290 373 G C -1.042 173.913 174.900 0.091 0.000 1.386 373 G CA -0.426 44.759 45.100 0.142 0.000 0.872 373 G HN 0.964 nan 8.290 nan 0.000 0.475 374 G N -0.771 107.955 108.800 -0.123 0.000 2.328 374 G HA2 0.317 4.277 3.960 -0.000 0.000 0.295 374 G HA3 0.317 4.277 3.960 -0.000 0.000 0.295 374 G C 0.180 174.489 174.900 -0.986 0.000 1.413 374 G CA -0.192 44.636 45.100 -0.454 0.000 0.817 374 G HN 0.539 nan 8.290 nan 0.000 0.546 375 N N -0.408 117.820 118.700 -0.788 0.000 2.094 375 N HA -0.084 4.656 4.740 -0.000 0.000 0.191 375 N C 1.599 176.900 175.510 -0.348 0.000 1.023 375 N CA 1.720 54.495 53.050 -0.457 0.000 0.857 375 N CB -0.128 38.291 38.487 -0.112 0.000 1.013 375 N HN 0.770 nan 8.380 nan 0.000 0.426 376 S N -0.839 114.595 115.700 -0.443 0.000 2.654 376 S HA 0.438 4.908 4.470 -0.000 0.000 0.283 376 S C -1.998 172.084 174.600 -0.864 0.000 1.180 376 S CA -1.356 56.354 58.200 -0.816 0.000 1.021 376 S CB 2.060 64.913 63.200 -0.578 0.000 1.018 376 S HN -0.044 nan 8.310 nan 0.000 0.532 377 P HA 0.055 nan 4.420 nan 0.000 0.219 377 P C 1.434 178.099 177.300 -1.058 0.000 1.150 377 P CA 1.290 63.706 63.100 -1.139 0.000 0.814 377 P CB -0.139 30.485 31.700 -1.793 0.000 0.787 378 A N 0.483 122.758 122.820 -0.908 0.000 1.858 378 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 378 A C 2.364 179.723 177.584 -0.376 0.000 1.190 378 A CA 2.266 54.017 52.037 -0.476 0.000 0.617 378 A CB -1.665 17.208 19.000 -0.212 0.000 0.827 378 A HN 0.184 nan 8.150 nan 0.000 0.443 379 A N 0.510 123.109 122.820 -0.369 0.000 1.883 379 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 379 A C 2.344 179.815 177.584 -0.187 0.000 1.186 379 A CA 2.313 54.189 52.037 -0.269 0.000 0.624 379 A CB -0.743 18.134 19.000 -0.204 0.000 0.822 379 A HN 0.848 nan 8.150 nan 0.000 0.444 380 M N -2.330 117.125 119.600 -0.241 0.000 2.394 380 M HA 0.007 4.487 4.480 -0.000 0.000 0.264 380 M C 1.544 177.785 176.300 -0.099 0.000 1.073 380 M CA 2.020 57.233 55.300 -0.146 0.000 1.111 380 M CB -0.821 31.671 32.600 -0.180 0.000 1.401 380 M HN 0.108 nan 8.290 nan 0.000 0.448 381 T N 0.993 115.458 114.554 -0.148 0.000 2.985 381 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 381 T C 0.595 175.254 174.700 -0.069 0.000 1.076 381 T CA 0.918 62.981 62.100 -0.061 0.000 1.135 381 T CB -0.206 68.652 68.868 -0.017 0.000 0.890 381 T HN 0.458 nan 8.240 nan 0.000 0.480 382 T N 3.261 117.727 114.554 -0.147 0.000 2.799 382 T HA 0.316 4.666 4.350 -0.000 0.000 0.296 382 T C 0.029 174.649 174.700 -0.134 0.000 0.947 382 T CA 0.089 62.034 62.100 -0.258 0.000 1.141 382 T CB 0.265 68.841 68.868 -0.486 0.000 0.891 382 T HN 0.049 nan 8.240 nan 0.000 0.533 383 R N 2.994 123.384 120.500 -0.183 0.000 2.545 383 R HA 0.298 4.638 4.340 -0.000 0.000 0.289 383 R C -1.335 174.886 176.300 -0.131 0.000 1.327 383 R CA -0.523 55.496 56.100 -0.134 0.000 1.040 383 R CB 0.444 30.686 30.300 -0.098 0.000 1.176 383 R HN 0.554 nan 8.270 nan 0.000 0.518 384 Y N 0.969 121.273 120.300 0.007 0.000 2.377 384 Y HA 0.214 4.764 4.550 -0.000 0.000 0.330 384 Y C 0.709 176.631 175.900 0.037 0.000 1.108 384 Y CA -0.322 57.820 58.100 0.070 0.000 1.308 384 Y CB 1.086 39.581 38.460 0.058 0.000 1.216 384 Y HN 0.145 nan 8.280 nan 0.000 0.518 385 V N 4.713 124.793 119.914 0.278 0.000 2.239 385 V HA 0.081 4.200 4.120 -0.000 0.000 0.267 385 V C 0.180 176.458 176.094 0.306 0.000 1.056 385 V CA -0.696 61.740 62.300 0.226 0.000 0.830 385 V CB 0.743 32.696 31.823 0.216 0.000 1.090 385 V HN 0.823 nan 8.190 nan 0.000 0.459 386 D N 3.803 124.383 120.400 0.299 0.000 2.309 386 D HA -0.104 4.536 4.640 -0.000 0.000 0.212 386 D C 2.114 178.597 176.300 0.304 0.000 0.968 386 D CA 1.377 55.574 54.000 0.328 0.000 0.882 386 D CB 0.234 41.193 40.800 0.264 0.000 0.918 386 D HN 0.665 nan 8.370 nan 0.000 0.503 387 G N 0.803 109.732 108.800 0.215 0.000 2.450 387 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 387 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 387 G C 1.661 176.697 174.900 0.228 0.000 1.130 387 G CA 0.860 46.079 45.100 0.198 0.000 0.760 387 G HN 0.391 nan 8.290 nan 0.000 0.557 388 G N -0.463 108.438 108.800 0.168 0.000 2.598 388 G HA2 0.076 4.036 3.960 -0.000 0.000 0.215 388 G HA3 0.076 4.036 3.960 -0.000 0.000 0.215 388 G C 1.318 176.206 174.900 -0.020 0.000 1.131 388 G CA 0.308 45.418 45.100 0.016 0.000 0.785 388 G HN 0.392 nan 8.290 nan 0.000 0.539 389 F N 0.413 120.489 119.950 0.210 0.000 2.222 389 F HA 0.423 4.950 4.527 -0.000 0.000 0.285 389 F C 1.551 177.640 175.800 0.482 0.000 1.068 389 F CA 1.172 59.320 58.000 0.246 0.000 1.265 389 F CB 0.209 39.089 39.000 -0.200 0.000 1.087 389 F HN 0.240 nan 8.300 nan 0.000 0.511 390 G N -0.127 109.004 108.800 0.551 0.000 2.952 390 G HA2 0.000 3.960 3.960 -0.000 0.000 0.431 390 G HA3 0.000 3.960 3.960 -0.000 0.000 0.431 390 G C -0.162 174.921 174.900 0.306 0.000 1.325 390 G CA -0.694 44.705 45.100 0.497 0.000 1.146 390 G HN 0.011 nan 8.290 nan 0.000 0.581 391 M N 1.831 121.520 119.600 0.148 0.000 2.296 391 M HA 0.125 4.605 4.480 -0.000 0.000 0.265 391 M C 2.434 178.703 176.300 -0.053 0.000 1.064 391 M CA 2.734 58.082 55.300 0.079 0.000 1.109 391 M CB -0.089 32.476 32.600 -0.059 0.000 1.396 391 M HN 0.765 nan 8.290 nan 0.000 0.430 392 G N -1.025 107.667 108.800 -0.180 0.000 2.426 392 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.214 392 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.214 392 G C 1.571 176.251 174.900 -0.365 0.000 1.156 392 G CA 0.407 45.230 45.100 -0.463 0.000 0.802 392 G HN 0.407 nan 8.290 nan 0.000 0.534 393 K N -0.485 119.835 120.400 -0.133 0.000 2.032 393 K HA -0.109 4.211 4.320 -0.000 0.000 0.209 393 K C 1.315 177.778 176.600 -0.229 0.000 1.048 393 K CA 1.070 57.245 56.287 -0.187 0.000 0.927 393 K CB -0.250 32.207 32.500 -0.072 0.000 0.712 393 K HN 0.385 nan 8.250 nan 0.000 0.441 394 Y N 1.186 121.429 120.300 -0.095 0.000 2.495 394 Y HA 0.128 4.678 4.550 -0.000 0.000 0.293 394 Y C 0.258 176.111 175.900 -0.078 0.000 1.186 394 Y CA -0.084 57.987 58.100 -0.050 0.000 1.266 394 Y CB 0.032 38.505 38.460 0.022 0.000 1.101 394 Y HN -0.104 nan 8.280 nan 0.000 0.517 395 T N 1.103 115.614 114.554 -0.072 0.000 2.903 395 T HA 0.252 4.602 4.350 -0.000 0.000 0.314 395 T C 0.551 175.200 174.700 -0.084 0.000 1.078 395 T CA 0.285 62.306 62.100 -0.132 0.000 1.114 395 T CB 0.533 69.176 68.868 -0.375 0.000 0.987 395 T HN 0.323 nan 8.240 nan 0.000 0.548 396 T N 0.664 115.180 114.554 -0.062 0.000 2.906 396 T HA 0.581 4.931 4.350 -0.000 0.000 0.295 396 T C -3.125 171.538 174.700 -0.062 0.000 1.075 396 T CA -2.341 59.730 62.100 -0.048 0.000 1.005 396 T CB 1.468 70.330 68.868 -0.009 0.000 1.136 396 T HN 0.141 nan 8.240 nan 0.000 0.498 397 P HA 0.257 nan 4.420 nan 0.000 0.267 397 P C -0.544 176.747 177.300 -0.015 0.000 1.205 397 P CA -0.366 62.675 63.100 -0.098 0.000 0.765 397 P CB 0.244 31.780 31.700 -0.273 0.000 0.828 398 L N 2.869 124.112 121.223 0.033 0.000 2.367 398 L HA 0.196 4.536 4.340 -0.000 0.000 0.275 398 L C 0.735 177.637 176.870 0.053 0.000 1.129 398 L CA 0.207 55.105 54.840 0.097 0.000 0.839 398 L CB 0.146 42.342 42.059 0.228 0.000 1.133 398 L HN 0.289 nan 8.230 nan 0.000 0.453 399 T N 3.996 118.600 114.554 0.083 0.000 2.738 399 T HA 0.277 4.627 4.350 -0.000 0.000 0.298 399 T C 0.151 174.875 174.700 0.041 0.000 0.962 399 T CA -0.664 61.478 62.100 0.069 0.000 0.972 399 T CB 0.190 69.110 68.868 0.087 0.000 0.928 399 T HN 0.440 nan 8.240 nan 0.000 0.474 400 R N 2.066 122.484 120.500 -0.136 0.000 2.522 400 R HA 0.382 4.722 4.340 -0.000 0.000 0.284 400 R C 1.409 177.828 176.300 0.199 0.000 1.032 400 R CA 0.289 56.304 56.100 -0.141 0.000 1.049 400 R CB -0.037 29.905 30.300 -0.596 0.000 0.956 400 R HN 0.952 nan 8.270 nan 0.000 0.422 401 G N 1.158 110.090 108.800 0.220 0.000 2.199 401 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.254 401 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.254 401 G C 0.486 175.467 174.900 0.135 0.000 0.982 401 G CA 0.313 45.575 45.100 0.270 0.000 0.632 401 G HN 0.462 nan 8.290 nan 0.000 0.529 402 V N 0.151 120.129 119.914 0.107 0.000 2.870 402 V HA 0.152 4.272 4.120 -0.000 0.000 0.232 402 V C 2.138 178.242 176.094 0.017 0.000 1.161 402 V CA 1.636 63.965 62.300 0.048 0.000 1.204 402 V CB -0.147 31.706 31.823 0.052 0.000 1.003 402 V HN 0.206 nan 8.190 nan 0.000 0.499 403 D N -0.324 120.101 120.400 0.042 0.000 2.224 403 D HA 0.011 4.650 4.640 -0.000 0.000 0.205 403 D C 0.458 176.761 176.300 0.004 0.000 0.965 403 D CA 0.945 54.962 54.000 0.028 0.000 0.852 403 D CB 0.154 40.994 40.800 0.066 0.000 0.947 403 D HN 0.405 nan 8.370 nan 0.000 0.494 404 c N -0.473 118.128 118.600 0.003 0.000 3.171 404 c HA 0.379 4.949 4.570 -0.000 0.000 0.308 404 c C -2.442 171.520 174.090 -0.213 0.000 1.334 404 c CA -1.726 54.475 56.329 -0.213 0.000 1.473 404 c CB 1.725 44.101 42.510 -0.223 0.000 1.866 404 c HN -0.022 nan 8.230 nan 0.000 0.465 405 P HA -0.096 nan 4.420 nan 0.000 0.267 405 P C 0.122 177.428 177.300 0.010 0.000 1.175 405 P CA 0.608 63.570 63.100 -0.230 0.000 0.763 405 P CB 0.233 31.704 31.700 -0.381 0.000 0.795 406 Y N 2.935 123.247 120.300 0.020 0.000 2.181 406 Y HA -0.102 4.447 4.550 -0.000 0.000 0.288 406 Y C 1.546 177.547 175.900 0.169 0.000 1.146 406 Y CA 1.625 59.791 58.100 0.110 0.000 1.164 406 Y CB -0.130 38.375 38.460 0.075 0.000 0.982 406 Y HN 0.232 nan 8.280 nan 0.000 0.515 407 L N 0.897 122.235 121.223 0.191 0.000 2.737 407 L HA 0.284 4.624 4.340 -0.000 0.000 0.236 407 L C 0.581 177.568 176.870 0.195 0.000 1.219 407 L CA -0.206 54.733 54.840 0.165 0.000 1.021 407 L CB -0.990 41.124 42.059 0.092 0.000 1.291 407 L HN 0.193 nan 8.230 nan 0.000 0.470 408 A N -0.053 122.838 122.820 0.117 0.000 2.304 408 A HA 0.442 4.762 4.320 -0.000 0.000 0.271 408 A C 0.586 178.181 177.584 0.019 0.000 1.091 408 A CA -0.253 51.815 52.037 0.052 0.000 0.812 408 A CB 0.454 19.247 19.000 -0.344 0.000 1.056 408 A HN 0.324 nan 8.150 nan 0.000 0.489 409 T N -0.468 114.176 114.554 0.149 0.000 2.832 409 T HA 0.558 4.907 4.350 -0.000 0.000 0.296 409 T C -0.753 173.923 174.700 -0.040 0.000 0.968 409 T CA 0.098 62.277 62.100 0.131 0.000 1.107 409 T CB -0.057 68.927 68.868 0.194 0.000 0.916 409 T HN 0.356 nan 8.240 nan 0.000 0.517 410 Y N 1.702 122.088 120.300 0.144 0.000 2.393 410 Y HA 0.619 5.169 4.550 -0.000 0.000 0.341 410 Y C -0.107 175.895 175.900 0.170 0.000 0.988 410 Y CA -1.123 57.064 58.100 0.145 0.000 1.078 410 Y CB 2.228 40.728 38.460 0.067 0.000 1.203 410 Y HN 0.572 nan 8.280 nan 0.000 0.453 411 V N 1.989 122.135 119.914 0.387 0.000 2.823 411 V HA 0.402 4.522 4.120 -0.000 0.000 0.312 411 V C -0.740 175.602 176.094 0.412 0.000 1.072 411 V CA -1.104 61.418 62.300 0.369 0.000 0.937 411 V CB 2.028 34.105 31.823 0.423 0.000 1.013 411 V HN 0.644 nan 8.190 nan 0.000 0.430 412 D N 0.498 121.079 120.400 0.302 0.000 2.423 412 D HA 0.442 5.082 4.640 -0.000 0.000 0.255 412 D C -1.049 175.429 176.300 0.297 0.000 1.174 412 D CA -0.036 54.111 54.000 0.245 0.000 1.008 412 D CB 1.271 42.167 40.800 0.159 0.000 1.101 412 D HN 0.600 nan 8.370 nan 0.000 0.516 413 W N 0.800 122.086 121.300 -0.022 0.000 2.900 413 W HA 0.266 4.926 4.660 -0.000 0.000 0.336 413 W C -1.133 175.339 176.519 -0.077 0.000 1.064 413 W CA -0.450 56.885 57.345 -0.017 0.000 1.237 413 W CB 0.808 30.346 29.460 0.130 0.000 1.391 413 W HN 0.248 nan 8.180 nan 0.000 0.468 414 H N 5.933 124.787 119.070 -0.359 0.000 2.499 414 H HA 0.648 5.204 4.556 -0.000 0.000 0.340 414 H C -0.658 174.181 175.328 -0.814 0.000 1.148 414 H CA -0.655 55.124 56.048 -0.448 0.000 1.215 414 H CB 1.465 31.046 29.762 -0.302 0.000 1.529 414 H HN 0.401 nan 8.280 nan 0.000 0.510 415 F N 0.104 119.705 119.950 -0.581 0.000 2.668 415 F HA 0.548 5.075 4.527 -0.000 0.000 0.309 415 F C -1.999 173.606 175.800 -0.323 0.000 1.117 415 F CA -1.262 56.346 58.000 -0.653 0.000 0.951 415 F CB 1.533 40.012 39.000 -0.868 0.000 1.323 415 F HN 0.351 nan 8.300 nan 0.000 0.451 416 L N 3.916 125.082 121.223 -0.096 0.000 2.442 416 L HA 0.706 5.046 4.340 -0.000 0.000 0.261 416 L C -1.988 174.902 176.870 0.033 0.000 1.000 416 L CA -0.261 54.517 54.840 -0.102 0.000 0.882 416 L CB 1.132 43.115 42.059 -0.128 0.000 1.207 416 L HN 0.736 nan 8.230 nan 0.000 0.443 417 L N 4.032 125.337 121.223 0.136 0.000 2.470 417 L HA 0.443 4.783 4.340 -0.000 0.000 0.268 417 L C 0.154 177.014 176.870 -0.017 0.000 0.964 417 L CA -0.692 54.145 54.840 -0.004 0.000 0.839 417 L CB 2.021 44.053 42.059 -0.045 0.000 1.276 417 L HN 0.484 nan 8.230 nan 0.000 0.403 418 E N 0.896 121.034 120.200 -0.103 0.000 2.440 418 E HA -0.239 4.111 4.350 -0.000 0.000 0.246 418 E C -0.161 176.460 176.600 0.035 0.000 1.165 418 E CA 1.007 57.411 56.400 0.007 0.000 0.726 418 E CB -0.725 29.019 29.700 0.073 0.000 1.271 418 E HN 0.765 nan 8.360 nan 0.000 0.397 419 S N -2.173 113.532 115.700 0.008 0.000 2.790 419 S HA 0.469 4.939 4.470 -0.000 0.000 0.292 419 S C 0.354 174.945 174.600 -0.015 0.000 1.197 419 S CA -0.879 57.321 58.200 -0.001 0.000 0.851 419 S CB 1.786 64.969 63.200 -0.029 0.000 1.217 419 S HN 0.081 nan 8.310 nan 0.000 0.526 420 Q N -0.528 119.258 119.800 -0.023 0.000 2.211 420 Q HA 0.420 4.760 4.340 -0.000 0.000 0.242 420 Q C 0.349 176.316 176.000 -0.055 0.000 0.825 420 Q CA 0.133 55.920 55.803 -0.027 0.000 0.951 420 Q CB 1.159 29.895 28.738 -0.004 0.000 1.130 420 Q HN 0.826 nan 8.270 nan 0.000 0.496 421 A N 3.215 125.990 122.820 -0.076 0.000 2.363 421 A HA 0.414 4.734 4.320 -0.000 0.000 0.270 421 A C -2.345 175.125 177.584 -0.191 0.000 1.121 421 A CA -1.316 50.651 52.037 -0.117 0.000 0.800 421 A CB -0.046 18.888 19.000 -0.110 0.000 1.052 421 A HN -0.086 nan 8.150 nan 0.000 0.493 422 P HA 0.288 nan 4.420 nan 0.000 0.276 422 P C -0.704 176.335 177.300 -0.434 0.000 1.243 422 P CA 0.066 62.959 63.100 -0.345 0.000 0.768 422 P CB 0.800 32.331 31.700 -0.281 0.000 0.856 423 K N 1.295 121.243 120.400 -0.754 0.000 2.280 423 K HA 0.734 5.054 4.320 -0.000 0.000 0.234 423 K C -0.133 176.046 176.600 -0.701 0.000 1.028 423 K CA -0.663 55.207 56.287 -0.695 0.000 0.882 423 K CB 1.166 33.284 32.500 -0.636 0.000 1.194 423 K HN 0.239 nan 8.250 nan 0.000 0.458 424 T N 0.858 115.273 114.554 -0.231 0.000 2.971 424 T HA 0.435 4.785 4.350 -0.000 0.000 0.304 424 T C -0.939 173.895 174.700 0.223 0.000 1.038 424 T CA -0.613 61.538 62.100 0.086 0.000 1.007 424 T CB 0.609 69.590 68.868 0.188 0.000 1.055 424 T HN 0.321 nan 8.240 nan 0.000 0.451 425 I N 3.793 124.573 120.570 0.350 0.000 2.307 425 I HA 0.351 4.521 4.170 -0.000 0.000 0.289 425 I C 0.713 176.931 176.117 0.168 0.000 1.021 425 I CA -0.601 60.858 61.300 0.266 0.000 1.224 425 I CB 0.686 38.882 38.000 0.326 0.000 1.376 425 I HN 0.291 nan 8.210 nan 0.000 0.470 426 R N 5.547 126.089 120.500 0.070 0.000 2.441 426 R HA 0.136 4.476 4.340 -0.000 0.000 0.284 426 R C -0.322 175.991 176.300 0.021 0.000 1.070 426 R CA -0.377 55.751 56.100 0.047 0.000 1.047 426 R CB 0.481 30.775 30.300 -0.011 0.000 1.016 426 R HN 0.584 nan 8.270 nan 0.000 0.477 427 D N 1.126 121.578 120.400 0.086 0.000 2.723 427 D HA -0.201 4.439 4.640 -0.000 0.000 0.236 427 D C 0.666 177.048 176.300 0.136 0.000 1.138 427 D CA 1.170 55.250 54.000 0.134 0.000 0.676 427 D CB -1.020 39.764 40.800 -0.026 0.000 1.069 427 D HN 0.748 nan 8.370 nan 0.000 0.430 428 A N -0.970 121.917 122.820 0.112 0.000 1.929 428 A HA 0.142 4.462 4.320 -0.000 0.000 0.216 428 A C 0.777 178.197 177.584 -0.272 0.000 1.176 428 A CA 0.786 52.751 52.037 -0.119 0.000 0.628 428 A CB 0.151 19.019 19.000 -0.220 0.000 0.816 428 A HN 0.222 nan 8.150 nan 0.000 0.444 429 F N -1.178 118.877 119.950 0.174 0.000 2.492 429 F HA 0.523 5.050 4.527 -0.000 0.000 0.327 429 F C 0.341 176.207 175.800 0.111 0.000 1.079 429 F CA -0.939 57.143 58.000 0.137 0.000 0.967 429 F CB 1.686 40.800 39.000 0.191 0.000 1.169 429 F HN 0.262 nan 8.300 nan 0.000 0.472 430 c N 0.935 119.662 118.600 0.212 0.000 2.626 430 c HA 0.966 5.536 4.570 -0.000 0.000 0.310 430 c C -1.128 172.990 174.090 0.047 0.000 1.191 430 c CA -0.955 55.374 56.329 0.000 0.000 1.517 430 c CB 0.795 43.185 42.510 -0.200 0.000 2.102 430 c HN 0.644 nan 8.230 nan 0.000 0.479 431 V N 3.427 123.353 119.914 0.020 0.000 2.656 431 V HA 0.901 5.021 4.120 -0.000 0.000 0.307 431 V C -0.444 175.675 176.094 0.043 0.000 1.051 431 V CA -0.160 62.097 62.300 -0.072 0.000 0.893 431 V CB 1.428 33.191 31.823 -0.099 0.000 0.999 431 V HN 1.093 nan 8.190 nan 0.000 0.426 432 F N 0.723 120.452 119.950 -0.368 0.000 2.719 432 F HA 0.674 5.201 4.527 -0.000 0.000 0.309 432 F C -0.901 174.690 175.800 -0.349 0.000 1.138 432 F CA -0.981 56.868 58.000 -0.253 0.000 0.943 432 F CB 1.450 40.457 39.000 0.012 0.000 1.304 432 F HN 0.396 nan 8.300 nan 0.000 0.445 433 E N 1.281 121.477 120.200 -0.006 0.000 2.216 433 E HA 0.399 4.749 4.350 -0.000 0.000 0.279 433 E C -1.404 175.409 176.600 0.355 0.000 0.997 433 E CA -0.797 55.625 56.400 0.037 0.000 0.817 433 E CB 1.737 31.488 29.700 0.086 0.000 1.096 433 E HN 0.602 nan 8.360 nan 0.000 0.393 434 Q N 2.978 122.906 119.800 0.214 0.000 2.321 434 Q HA 0.215 4.555 4.340 -0.000 0.000 0.270 434 Q C -1.393 174.708 176.000 0.169 0.000 1.032 434 Q CA -0.609 55.358 55.803 0.274 0.000 0.784 434 Q CB 1.190 30.116 28.738 0.313 0.000 1.264 434 Q HN 0.492 nan 8.270 nan 0.000 0.448 435 N N 2.564 121.360 118.700 0.160 0.000 2.458 435 N HA 0.047 4.787 4.740 -0.000 0.000 0.270 435 N C 0.414 175.988 175.510 0.107 0.000 1.102 435 N CA -0.084 53.038 53.050 0.120 0.000 0.967 435 N CB 0.779 39.327 38.487 0.101 0.000 1.078 435 N HN 0.580 nan 8.380 nan 0.000 0.471 436 Q N 2.901 122.763 119.800 0.102 0.000 2.331 436 Q HA 0.098 4.438 4.340 -0.000 0.000 0.203 436 Q C 1.356 177.405 176.000 0.082 0.000 0.944 436 Q CA 1.020 56.881 55.803 0.097 0.000 0.892 436 Q CB 0.348 29.152 28.738 0.109 0.000 0.983 436 Q HN 1.005 nan 8.270 nan 0.000 0.482 437 G N 0.766 109.613 108.800 0.078 0.000 2.454 437 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.225 437 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.225 437 G C 0.312 175.252 174.900 0.067 0.000 1.138 437 G CA 0.098 45.237 45.100 0.066 0.000 0.667 437 G HN 0.288 nan 8.290 nan 0.000 0.512 438 L N 3.582 124.846 121.223 0.069 0.000 2.506 438 L HA 0.252 4.592 4.340 -0.000 0.000 0.281 438 L C -1.109 175.809 176.870 0.080 0.000 1.228 438 L CA -0.900 53.981 54.840 0.069 0.000 0.850 438 L CB 0.443 42.543 42.059 0.069 0.000 1.110 438 L HN 0.221 nan 8.230 nan 0.000 0.496 439 P HA 0.002 nan 4.420 nan 0.000 0.279 439 P C 0.377 177.719 177.300 0.070 0.000 1.239 439 P CA -0.508 62.643 63.100 0.085 0.000 0.789 439 P CB 1.362 33.118 31.700 0.093 0.000 0.933 440 L N 3.005 124.273 121.223 0.076 0.000 2.083 440 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 440 L C 1.167 178.058 176.870 0.036 0.000 1.083 440 L CA 1.818 56.697 54.840 0.065 0.000 0.752 440 L CB -0.409 41.699 42.059 0.082 0.000 0.899 440 L HN 0.641 nan 8.230 nan 0.000 0.433 441 R N -1.190 119.331 120.500 0.035 0.000 2.709 441 R HA 0.522 4.862 4.340 -0.000 0.000 0.270 441 R C -1.225 175.073 176.300 -0.002 0.000 1.038 441 R CA -0.930 55.178 56.100 0.013 0.000 0.872 441 R CB 0.813 31.115 30.300 0.004 0.000 1.259 441 R HN 0.038 nan 8.270 nan 0.000 0.473 442 R N 2.236 122.725 120.500 -0.018 0.000 2.858 442 R HA 0.231 4.571 4.340 -0.000 0.000 0.252 442 R C -2.293 174.004 176.300 -0.006 0.000 1.063 442 R CA -0.645 55.410 56.100 -0.075 0.000 0.955 442 R CB 1.698 32.017 30.300 0.031 0.000 1.259 442 R HN 0.923 nan 8.270 nan 0.000 0.477 443 H N 2.353 121.271 119.070 -0.253 0.000 2.966 443 H HA 0.371 4.926 4.556 -0.000 0.000 0.347 443 H C -1.700 173.537 175.328 -0.151 0.000 1.048 443 H CA -0.407 55.561 56.048 -0.134 0.000 1.295 443 H CB 1.061 30.781 29.762 -0.069 0.000 1.744 443 H HN 0.544 nan 8.280 nan 0.000 0.513 444 H N 3.782 122.506 119.070 -0.577 0.000 2.595 444 H HA 0.351 4.907 4.556 -0.000 0.000 0.313 444 H C -1.007 173.864 175.328 -0.763 0.000 1.023 444 H CA -0.171 55.622 56.048 -0.426 0.000 1.218 444 H CB 1.203 30.936 29.762 -0.048 0.000 1.403 444 H HN 0.513 nan 8.280 nan 0.000 0.477 445 S N 4.084 119.199 115.700 -0.974 0.000 2.420 445 S HA 0.153 4.623 4.470 -0.000 0.000 0.313 445 S C 0.236 174.630 174.600 -0.343 0.000 1.079 445 S CA -0.695 57.076 58.200 -0.716 0.000 1.104 445 S CB 0.369 62.929 63.200 -1.066 0.000 0.969 445 S HN 0.655 nan 8.310 nan 0.000 0.471 446 D N 3.286 123.634 120.400 -0.086 0.000 2.349 446 D HA 0.137 4.777 4.640 -0.000 0.000 0.214 446 D C -0.127 176.116 176.300 -0.096 0.000 1.063 446 D CA 0.136 54.178 54.000 0.070 0.000 0.847 446 D CB 0.328 41.200 40.800 0.121 0.000 0.933 446 D HN 0.412 nan 8.370 nan 0.000 0.513 447 L N 0.290 121.414 121.223 -0.166 0.000 2.313 447 L HA 0.197 4.537 4.340 -0.000 0.000 0.283 447 L C 0.048 176.810 176.870 -0.181 0.000 1.013 447 L CA -0.387 54.287 54.840 -0.276 0.000 0.816 447 L CB 0.767 42.639 42.059 -0.312 0.000 1.236 447 L HN -0.084 nan 8.230 nan 0.000 0.419 448 Y N 1.122 121.373 120.300 -0.082 0.000 2.777 448 Y HA -0.342 4.208 4.550 -0.000 0.000 0.489 448 Y C 0.985 176.841 175.900 -0.073 0.000 1.088 448 Y CA 1.336 59.402 58.100 -0.057 0.000 2.968 448 Y CB -1.898 36.561 38.460 -0.000 0.000 0.892 448 Y HN 0.725 nan 8.280 nan 0.000 0.556 449 S N 0.035 115.819 115.700 0.140 0.000 2.526 449 S HA 0.561 5.031 4.470 -0.000 0.000 0.293 449 S C -1.089 173.594 174.600 0.138 0.000 1.092 449 S CA -0.683 57.599 58.200 0.137 0.000 0.980 449 S CB 0.896 64.249 63.200 0.255 0.000 1.048 449 S HN 0.281 nan 8.310 nan 0.000 0.483 450 H N 4.481 123.670 119.070 0.197 0.000 2.741 450 H HA 0.404 4.960 4.556 -0.000 0.000 0.282 450 H C -0.745 174.653 175.328 0.117 0.000 1.122 450 H CA 0.062 56.150 56.048 0.065 0.000 1.293 450 H CB -0.232 29.552 29.762 0.038 0.000 1.415 450 H HN 0.682 nan 8.280 nan 0.000 0.472 451 Y N 1.411 121.703 120.300 -0.014 0.000 2.655 451 Y HA 0.582 5.132 4.550 -0.000 0.000 0.336 451 Y C -1.858 173.895 175.900 -0.246 0.000 1.154 451 Y CA -1.657 56.354 58.100 -0.149 0.000 1.055 451 Y CB 1.795 40.230 38.460 -0.042 0.000 1.295 451 Y HN 0.246 nan 8.280 nan 0.000 0.465 452 F N 0.586 120.234 119.950 -0.502 0.000 2.581 452 F HA 0.843 5.370 4.527 -0.000 0.000 0.311 452 F C -0.970 174.627 175.800 -0.337 0.000 1.113 452 F CA -0.775 56.903 58.000 -0.536 0.000 0.935 452 F CB 2.475 41.028 39.000 -0.745 0.000 1.232 452 F HN 0.945 nan 8.300 nan 0.000 0.445 453 G N 2.824 111.052 108.800 -0.954 0.000 2.704 453 G HA2 0.585 4.545 3.960 -0.000 0.000 0.280 453 G HA3 0.585 4.545 3.960 -0.000 0.000 0.280 453 G C -1.166 173.324 174.900 -0.682 0.000 1.499 453 G CA -0.192 44.601 45.100 -0.511 0.000 1.146 453 G HN 1.173 nan 8.290 nan 0.000 0.558 454 G N -0.286 108.199 108.800 -0.525 0.000 2.706 454 G HA2 0.795 4.755 3.960 -0.000 0.000 0.307 454 G HA3 0.795 4.755 3.960 -0.000 0.000 0.307 454 G C -2.115 172.784 174.900 -0.001 0.000 1.307 454 G CA -0.805 44.160 45.100 -0.224 0.000 0.790 454 G HN 1.526 nan 8.290 nan 0.000 0.503 455 L N -0.298 120.960 121.223 0.059 0.000 2.830 455 L HA 0.726 5.066 4.340 -0.000 0.000 0.259 455 L C -0.033 176.894 176.870 0.096 0.000 0.943 455 L CA -0.451 54.436 54.840 0.079 0.000 0.997 455 L CB 0.994 43.083 42.059 0.050 0.000 1.427 455 L HN 1.367 nan 8.230 nan 0.000 0.456 456 A N 3.640 126.526 122.820 0.110 0.000 2.488 456 A HA 0.359 4.679 4.320 -0.000 0.000 0.249 456 A C 0.261 177.907 177.584 0.104 0.000 1.083 456 A CA -0.027 52.074 52.037 0.106 0.000 0.768 456 A CB 0.037 19.099 19.000 0.103 0.000 1.017 456 A HN 0.777 nan 8.150 nan 0.000 0.496 457 E N 2.099 122.363 120.200 0.108 0.000 2.299 457 E HA 0.259 4.609 4.350 -0.000 0.000 0.272 457 E C -0.508 176.164 176.600 0.120 0.000 1.043 457 E CA 0.104 56.580 56.400 0.126 0.000 0.895 457 E CB 0.431 30.220 29.700 0.147 0.000 1.011 457 E HN 0.609 nan 8.360 nan 0.000 0.432 458 T N 3.054 117.680 114.554 0.121 0.000 2.888 458 T HA 0.492 4.842 4.350 -0.000 0.000 0.284 458 T C -0.978 173.776 174.700 0.089 0.000 1.017 458 T CA -0.574 61.590 62.100 0.106 0.000 1.022 458 T CB 1.688 70.622 68.868 0.108 0.000 1.013 458 T HN 0.259 nan 8.240 nan 0.000 0.465 459 V N 2.612 122.542 119.914 0.027 0.000 2.925 459 V HA 0.617 4.737 4.120 -0.000 0.000 0.311 459 V C -1.214 174.787 176.094 -0.155 0.000 1.104 459 V CA -0.862 61.386 62.300 -0.087 0.000 0.954 459 V CB 2.340 34.058 31.823 -0.175 0.000 1.022 459 V HN 0.688 nan 8.190 nan 0.000 0.427 460 L N 5.201 126.305 121.223 -0.199 0.000 2.317 460 L HA 0.859 5.199 4.340 -0.000 0.000 0.281 460 L C -0.845 175.808 176.870 -0.363 0.000 1.024 460 L CA 0.014 54.678 54.840 -0.293 0.000 0.810 460 L CB 1.821 43.776 42.059 -0.173 0.000 1.240 460 L HN 0.440 nan 8.230 nan 0.000 0.427 461 V N 4.854 124.396 119.914 -0.621 0.000 2.808 461 V HA 0.629 4.749 4.120 -0.000 0.000 0.308 461 V C -0.916 174.842 176.094 -0.560 0.000 1.099 461 V CA -0.754 61.121 62.300 -0.709 0.000 0.920 461 V CB 2.094 33.165 31.823 -1.253 0.000 1.014 461 V HN 0.482 nan 8.190 nan 0.000 0.425 462 V N 4.166 123.895 119.914 -0.309 0.000 2.588 462 V HA 0.687 4.807 4.120 -0.000 0.000 0.304 462 V C -0.279 175.787 176.094 -0.048 0.000 1.042 462 V CA -0.684 61.514 62.300 -0.169 0.000 0.877 462 V CB 1.989 33.726 31.823 -0.143 0.000 0.996 462 V HN 0.908 nan 8.190 nan 0.000 0.425 463 R N 2.360 122.905 120.500 0.075 0.000 2.621 463 R HA 0.749 5.089 4.340 -0.000 0.000 0.284 463 R C -0.947 175.456 176.300 0.172 0.000 0.998 463 R CA -0.155 56.034 56.100 0.148 0.000 0.895 463 R CB 2.189 32.601 30.300 0.187 0.000 1.195 463 R HN 0.875 nan 8.270 nan 0.000 0.450 464 S N 3.539 119.344 115.700 0.174 0.000 2.634 464 S HA 0.633 5.103 4.470 -0.000 0.000 0.296 464 S C -0.724 173.966 174.600 0.150 0.000 1.104 464 S CA -0.959 57.280 58.200 0.065 0.000 0.920 464 S CB 2.081 65.261 63.200 -0.033 0.000 1.111 464 S HN 0.552 nan 8.310 nan 0.000 0.493 465 M N 1.815 121.460 119.600 0.075 0.000 2.267 465 M HA 0.374 4.854 4.480 -0.000 0.000 0.289 465 M C -1.282 175.078 176.300 0.099 0.000 1.043 465 M CA -0.191 55.154 55.300 0.076 0.000 0.928 465 M CB 2.293 34.907 32.600 0.024 0.000 1.613 465 M HN 0.622 nan 8.290 nan 0.000 0.450 466 S N 1.718 117.540 115.700 0.204 0.000 2.448 466 S HA 0.379 4.849 4.470 -0.000 0.000 0.320 466 S C -0.324 174.332 174.600 0.093 0.000 1.071 466 S CA -0.663 57.675 58.200 0.230 0.000 1.113 466 S CB 0.684 64.189 63.200 0.509 0.000 0.972 466 S HN 0.617 nan 8.310 nan 0.000 0.465 467 T N 4.400 118.994 114.554 0.066 0.000 3.005 467 T HA 0.276 4.626 4.350 -0.000 0.000 0.323 467 T C 0.102 174.814 174.700 0.021 0.000 1.131 467 T CA -0.350 61.751 62.100 0.001 0.000 0.977 467 T CB -0.426 68.469 68.868 0.045 0.000 1.055 467 T HN 0.377 nan 8.240 nan 0.000 0.562 468 L N 5.731 126.827 121.223 -0.212 0.000 2.375 468 L HA 0.319 4.659 4.340 -0.000 0.000 0.276 468 L C 0.972 177.570 176.870 -0.453 0.000 1.162 468 L CA -0.005 54.576 54.840 -0.431 0.000 0.991 468 L CB -0.658 41.063 42.059 -0.563 0.000 1.315 468 L HN 0.697 nan 8.230 nan 0.000 0.431 469 L N 0.189 121.278 121.223 -0.222 0.000 4.698 469 L HA -0.420 3.920 4.340 -0.000 0.000 0.053 469 L C 0.722 177.396 176.870 -0.326 0.000 3.624 469 L CA 1.663 56.427 54.840 -0.127 0.000 1.214 469 L CB -1.102 40.813 42.059 -0.240 0.000 3.190 469 L HN 0.829 nan 8.230 nan 0.000 0.946 473 Y N 0.697 120.933 120.300 -0.106 0.000 2.359 473 Y HA 0.406 4.956 4.550 -0.000 0.000 0.334 473 Y C 0.556 176.149 175.900 -0.511 0.000 1.058 473 Y CA -0.827 57.081 58.100 -0.320 0.000 1.244 473 Y CB 0.773 38.938 38.460 -0.490 0.000 1.187 473 Y HN 0.095 nan 8.280 nan 0.000 0.510 474 V N 4.186 123.944 119.914 -0.259 0.000 2.364 474 V HA 0.217 4.337 4.120 -0.000 0.000 0.272 474 V C -0.798 175.142 176.094 -0.258 0.000 1.036 474 V CA -1.224 60.964 62.300 -0.188 0.000 0.880 474 V CB -0.062 31.783 31.823 0.036 0.000 0.991 474 V HN 0.673 nan 8.190 nan 0.000 0.460 475 W N 2.655 124.082 121.300 0.212 0.000 2.429 475 W HA 0.660 5.320 4.660 -0.000 0.000 0.314 475 W C -0.310 176.256 176.519 0.079 0.000 1.062 475 W CA -0.486 56.946 57.345 0.144 0.000 1.211 475 W CB 1.186 30.685 29.460 0.066 0.000 1.305 475 W HN 0.386 nan 8.180 nan 0.000 0.476 476 D N 1.389 121.921 120.400 0.221 0.000 2.646 476 D HA 0.463 5.103 4.640 -0.000 0.000 0.245 476 D C -0.860 175.348 176.300 -0.155 0.000 1.099 476 D CA -0.515 53.508 54.000 0.037 0.000 0.849 476 D CB 2.229 43.060 40.800 0.052 0.000 1.448 476 D HN 0.060 nan 8.370 nan 0.000 0.489 477 T N 1.039 115.426 114.554 -0.278 0.000 2.847 477 T HA 0.496 4.846 4.350 -0.000 0.000 0.291 477 T C -0.740 173.525 174.700 -0.725 0.000 0.998 477 T CA -0.628 61.138 62.100 -0.557 0.000 0.967 477 T CB 1.058 69.610 68.868 -0.526 0.000 0.954 477 T HN 0.194 nan 8.240 nan 0.000 0.441 478 V N 3.080 122.487 119.914 -0.845 0.000 2.680 478 V HA 0.829 4.949 4.120 -0.000 0.000 0.309 478 V C -1.746 173.756 176.094 -0.988 0.000 1.052 478 V CA -0.940 60.907 62.300 -0.756 0.000 0.908 478 V CB 1.577 33.102 31.823 -0.498 0.000 1.001 478 V HN 0.801 nan 8.190 nan 0.000 0.431 479 F N 5.333 124.859 119.950 -0.708 0.000 2.532 479 F HA 0.551 5.078 4.527 -0.000 0.000 0.365 479 F C 0.589 176.151 175.800 -0.396 0.000 1.112 479 F CA -0.531 56.965 58.000 -0.840 0.000 1.082 479 F CB 0.850 39.048 39.000 -1.335 0.000 1.319 479 F HN 0.592 nan 8.300 nan 0.000 0.457 480 H N 4.018 123.183 119.070 0.159 0.000 2.652 480 H HA 0.108 4.664 4.556 -0.000 0.000 0.349 480 H C -1.615 174.054 175.328 0.569 0.000 1.099 480 H CA -1.351 54.881 56.048 0.306 0.000 1.417 480 H CB 1.186 31.066 29.762 0.198 0.000 1.457 480 H HN 0.327 nan 8.280 nan 0.000 0.568 481 P HA -0.085 nan 4.420 nan 0.000 0.242 481 P C 1.018 178.521 177.300 0.337 0.000 1.197 481 P CA 0.675 64.055 63.100 0.466 0.000 0.765 481 P CB 0.169 32.046 31.700 0.295 0.000 0.936 482 S N -1.781 114.068 115.700 0.248 0.000 2.593 482 S HA 0.318 4.787 4.470 -0.000 0.000 0.217 482 S C 1.616 176.136 174.600 -0.134 0.000 0.966 482 S CA 0.554 58.789 58.200 0.058 0.000 0.914 482 S CB -0.880 62.351 63.200 0.051 0.000 0.776 482 S HN 0.277 nan 8.310 nan 0.000 0.523 483 G N 0.388 109.078 108.800 -0.184 0.000 2.179 483 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.220 483 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.220 483 G C 0.179 175.249 174.900 0.282 0.000 0.990 483 G CA -0.203 44.617 45.100 -0.467 0.000 0.646 483 G HN 1.184 nan 8.290 nan 0.000 0.517 484 A N -0.047 122.985 122.820 0.354 0.000 2.316 484 A HA 0.824 5.144 4.320 -0.000 0.000 0.284 484 A C 0.087 177.889 177.584 0.362 0.000 1.115 484 A CA -0.236 52.016 52.037 0.357 0.000 0.812 484 A CB 0.567 19.680 19.000 0.187 0.000 1.064 484 A HN 0.776 nan 8.150 nan 0.000 0.489 485 I N 1.136 121.821 120.570 0.192 0.000 2.406 485 I HA 0.320 4.490 4.170 -0.000 0.000 0.290 485 I C 0.023 176.016 176.117 -0.207 0.000 0.999 485 I CA -0.185 61.018 61.300 -0.162 0.000 1.124 485 I CB 1.799 39.628 38.000 -0.284 0.000 1.289 485 I HN 0.812 nan 8.210 nan 0.000 0.441 486 E N 6.093 126.068 120.200 -0.375 0.000 2.166 486 E HA 0.563 4.913 4.350 -0.000 0.000 0.275 486 E C -1.429 174.674 176.600 -0.830 0.000 0.941 486 E CA -0.725 55.262 56.400 -0.688 0.000 0.784 486 E CB 1.587 30.989 29.700 -0.497 0.000 1.115 486 E HN 0.378 nan 8.360 nan 0.000 0.399 487 I N 3.838 123.731 120.570 -1.127 0.000 2.530 487 I HA 0.463 4.633 4.170 -0.000 0.000 0.297 487 I C -0.345 175.205 176.117 -0.945 0.000 1.011 487 I CA -0.570 60.076 61.300 -1.090 0.000 1.107 487 I CB 1.539 38.632 38.000 -1.511 0.000 1.285 487 I HN 0.468 nan 8.210 nan 0.000 0.436 488 R N 4.538 124.707 120.500 -0.550 0.000 2.707 488 R HA 0.569 4.909 4.340 -0.000 0.000 0.272 488 R C -1.911 174.350 176.300 -0.064 0.000 1.011 488 R CA -0.833 55.032 56.100 -0.393 0.000 0.893 488 R CB 2.449 32.534 30.300 -0.359 0.000 1.233 488 R HN 0.434 nan 8.270 nan 0.000 0.464 489 F N 2.616 122.329 119.950 -0.396 0.000 2.787 489 F HA 0.444 4.971 4.527 -0.000 0.000 0.340 489 F C -2.091 173.468 175.800 -0.403 0.000 1.232 489 F CA -1.041 56.822 58.000 -0.228 0.000 1.051 489 F CB 0.633 39.726 39.000 0.155 0.000 1.330 489 F HN 0.394 nan 8.300 nan 0.000 0.522 490 Y N 3.967 124.122 120.300 -0.242 0.000 2.446 490 Y HA 0.812 5.361 4.550 -0.000 0.000 0.338 490 Y C 0.065 175.827 175.900 -0.229 0.000 1.055 490 Y CA -1.130 56.761 58.100 -0.348 0.000 1.101 490 Y CB 1.983 40.321 38.460 -0.203 0.000 1.221 490 Y HN 0.819 nan 8.280 nan 0.000 0.460 491 A N 2.063 124.861 122.820 -0.037 0.000 2.287 491 A HA 0.802 5.122 4.320 -0.000 0.000 0.317 491 A C -0.319 177.291 177.584 0.043 0.000 1.220 491 A CA -0.347 51.767 52.037 0.128 0.000 0.835 491 A CB 0.428 19.535 19.000 0.178 0.000 1.180 491 A HN 0.772 nan 8.150 nan 0.000 0.500 492 T N 0.390 114.944 114.554 0.001 0.000 2.644 492 T HA 0.916 5.266 4.350 -0.000 0.000 0.253 492 T C 0.809 175.451 174.700 -0.096 0.000 0.910 492 T CA 0.135 62.201 62.100 -0.058 0.000 1.066 492 T CB 0.745 69.561 68.868 -0.087 0.000 1.484 492 T HN 2.369 nan 8.240 nan 0.000 0.560 493 G N -0.199 108.508 108.800 -0.155 0.000 2.545 493 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.216 493 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.216 493 G C -1.211 173.507 174.900 -0.303 0.000 1.314 493 G CA -0.668 44.308 45.100 -0.207 0.000 0.906 493 G HN 0.683 nan 8.290 nan 0.000 0.563 494 Y N 0.488 120.629 120.300 -0.265 0.000 2.335 494 Y HA 0.569 5.119 4.550 -0.000 0.000 0.323 494 Y C 1.525 177.240 175.900 -0.309 0.000 1.224 494 Y CA -0.000 57.927 58.100 -0.288 0.000 1.241 494 Y CB 0.909 39.127 38.460 -0.403 0.000 1.235 494 Y HN 0.667 nan 8.280 nan 0.000 0.492 495 I N -0.253 120.305 120.570 -0.020 0.000 2.764 495 I HA 0.396 4.566 4.170 -0.000 0.000 0.294 495 I C 0.268 176.314 176.117 -0.117 0.000 1.045 495 I CA -0.616 60.646 61.300 -0.063 0.000 1.340 495 I CB 1.109 39.105 38.000 -0.006 0.000 1.436 495 I HN 0.459 nan 8.210 nan 0.000 0.567 496 S N 3.362 118.993 115.700 -0.115 0.000 2.513 496 S HA 0.540 5.010 4.470 -0.000 0.000 0.276 496 S C -0.182 174.431 174.600 0.021 0.000 1.254 496 S CA -0.200 57.947 58.200 -0.089 0.000 1.053 496 S CB 0.634 63.730 63.200 -0.173 0.000 0.958 496 S HN 0.980 nan 8.310 nan 0.000 0.491 497 S N 3.379 119.123 115.700 0.073 0.000 2.634 497 S HA 0.892 5.362 4.470 -0.000 0.000 0.296 497 S C -0.364 174.263 174.600 0.045 0.000 1.104 497 S CA -0.457 57.799 58.200 0.094 0.000 0.920 497 S CB 1.459 64.738 63.200 0.132 0.000 1.111 497 S HN 1.402 nan 8.310 nan 0.000 0.493 498 A N 1.260 124.072 122.820 -0.013 0.000 2.346 498 A HA 0.797 5.116 4.320 -0.000 0.000 0.313 498 A C -0.954 176.675 177.584 0.074 0.000 1.140 498 A CA -0.793 51.141 52.037 -0.171 0.000 0.826 498 A CB 0.645 19.559 19.000 -0.145 0.000 1.332 498 A HN 1.023 nan 8.150 nan 0.000 0.457 499 F N 0.763 120.731 119.950 0.030 0.000 2.427 499 F HA 0.480 5.007 4.527 -0.000 0.000 0.352 499 F C 0.041 175.964 175.800 0.205 0.000 1.100 499 F CA -0.793 57.350 58.000 0.239 0.000 1.191 499 F CB 0.781 39.993 39.000 0.353 0.000 1.128 499 F HN 0.429 nan 8.300 nan 0.000 0.533 500 L N 7.809 128.731 121.223 -0.502 0.000 2.477 500 L HA 0.261 4.601 4.340 -0.000 0.000 0.272 500 L C -1.501 175.231 176.870 -0.231 0.000 1.157 500 L CA 0.568 55.222 54.840 -0.309 0.000 0.889 500 L CB -0.544 41.339 42.059 -0.294 0.000 1.158 500 L HN 0.602 nan 8.230 nan 0.000 0.473 501 F N 5.465 125.345 119.950 -0.115 0.000 2.749 501 F HA 0.540 5.067 4.527 -0.000 0.000 0.339 501 F C 0.498 176.315 175.800 0.029 0.000 1.211 501 F CA 0.563 58.554 58.000 -0.015 0.000 1.099 501 F CB 0.986 40.047 39.000 0.102 0.000 1.359 501 F HN 0.830 nan 8.300 nan 0.000 0.549 502 G N 3.305 111.990 108.800 -0.192 0.000 2.552 502 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.267 502 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.267 502 G C 0.880 175.802 174.900 0.037 0.000 1.174 502 G CA -0.040 45.022 45.100 -0.063 0.000 0.955 502 G HN 1.662 nan 8.290 nan 0.000 0.546 503 A N 0.739 123.636 122.820 0.129 0.000 2.292 503 A HA 0.419 4.739 4.320 -0.000 0.000 0.205 503 A C 1.384 179.085 177.584 0.196 0.000 1.243 503 A CA 2.132 54.262 52.037 0.155 0.000 0.783 503 A CB -1.143 17.994 19.000 0.229 0.000 0.760 503 A HN 1.525 nan 8.150 nan 0.000 0.498 504 T N -0.422 114.228 114.554 0.161 0.000 2.923 504 T HA 0.319 4.669 4.350 -0.000 0.000 0.320 504 T C 1.571 176.333 174.700 0.104 0.000 1.074 504 T CA 1.595 63.790 62.100 0.157 0.000 1.131 504 T CB 0.465 69.377 68.868 0.074 0.000 1.058 504 T HN 1.407 nan 8.240 nan 0.000 0.535 505 G N 2.435 111.293 108.800 0.098 0.000 2.307 505 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.210 505 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.210 505 G C 0.863 175.730 174.900 -0.054 0.000 1.005 505 G CA 0.303 45.416 45.100 0.022 0.000 0.634 505 G HN 0.637 nan 8.290 nan 0.000 0.496 506 K N -0.429 119.880 120.400 -0.150 0.000 2.525 506 K HA 0.341 4.661 4.320 -0.000 0.000 0.192 506 K C 0.846 177.117 176.600 -0.547 0.000 1.029 506 K CA 0.684 56.726 56.287 -0.408 0.000 1.029 506 K CB -0.077 32.066 32.500 -0.596 0.000 0.814 506 K HN 0.623 nan 8.250 nan 0.000 0.503 507 Y N -1.650 118.664 120.300 0.023 0.000 2.666 507 Y HA 0.230 4.780 4.550 -0.000 0.000 0.260 507 Y C 0.575 176.497 175.900 0.036 0.000 1.089 507 Y CA -0.456 57.661 58.100 0.028 0.000 1.246 507 Y CB 2.059 40.538 38.460 0.032 0.000 1.353 507 Y HN 0.046 nan 8.280 nan 0.000 0.558 508 G N 0.292 109.178 108.800 0.145 0.000 2.357 508 G HA2 0.012 3.971 3.960 -0.000 0.000 0.289 508 G HA3 0.012 3.971 3.960 -0.000 0.000 0.289 508 G C -2.072 172.882 174.900 0.090 0.000 1.302 508 G CA -1.100 44.069 45.100 0.115 0.000 0.936 508 G HN -0.088 nan 8.290 nan 0.000 0.513 509 N N 0.375 119.128 118.700 0.089 0.000 2.314 509 N HA 0.441 5.181 4.740 -0.000 0.000 0.304 509 N C -0.299 175.249 175.510 0.063 0.000 1.073 509 N CA -0.560 52.534 53.050 0.073 0.000 0.822 509 N CB 2.160 40.702 38.487 0.091 0.000 1.280 509 N HN 0.747 nan 8.380 nan 0.000 0.489 510 Q N 1.028 120.853 119.800 0.041 0.000 2.274 510 Q HA 0.126 4.466 4.340 -0.000 0.000 0.280 510 Q C -0.132 175.893 176.000 0.041 0.000 1.047 510 Q CA 0.325 56.144 55.803 0.027 0.000 0.907 510 Q CB 0.661 29.398 28.738 -0.002 0.000 1.171 510 Q HN 0.415 nan 8.270 nan 0.000 0.381 511 V N 2.433 122.375 119.914 0.047 0.000 3.411 511 V HA 0.200 4.320 4.120 -0.000 0.000 0.287 511 V C -0.261 175.866 176.094 0.055 0.000 1.543 511 V CA 0.680 63.012 62.300 0.052 0.000 1.028 511 V CB 1.395 33.252 31.823 0.057 0.000 0.840 511 V HN 0.743 nan 8.190 nan 0.000 0.435 512 S N -0.687 115.051 115.700 0.063 0.000 2.727 512 S HA 0.376 4.846 4.470 -0.000 0.000 0.278 512 S C -1.587 173.061 174.600 0.081 0.000 1.186 512 S CA -0.726 57.526 58.200 0.086 0.000 0.836 512 S CB 1.501 64.765 63.200 0.107 0.000 1.186 512 S HN 0.320 nan 8.310 nan 0.000 0.499 513 E N 1.511 121.783 120.200 0.119 0.000 2.452 513 E HA 0.097 4.447 4.350 -0.000 0.000 0.261 513 E C -0.029 176.652 176.600 0.135 0.000 0.987 513 E CA 0.244 56.687 56.400 0.072 0.000 0.926 513 E CB -0.194 29.619 29.700 0.189 0.000 0.934 513 E HN 0.749 nan 8.360 nan 0.000 0.452 514 H N -0.800 118.275 119.070 0.008 0.000 3.366 514 H HA -0.136 4.420 4.556 -0.000 0.000 0.233 514 H C -0.440 174.839 175.328 -0.082 0.000 1.102 514 H CA 1.543 57.532 56.048 -0.100 0.000 1.184 514 H CB -1.534 28.287 29.762 0.097 0.000 1.216 514 H HN 0.413 nan 8.280 nan 0.000 0.317 515 T N 1.678 116.286 114.554 0.090 0.000 2.786 515 T HA 0.475 4.825 4.350 -0.000 0.000 0.283 515 T C 0.208 174.943 174.700 0.058 0.000 0.992 515 T CA -0.739 61.430 62.100 0.114 0.000 0.954 515 T CB 2.238 71.195 68.868 0.148 0.000 0.934 515 T HN 0.156 nan 8.240 nan 0.000 0.440 516 L N 3.418 124.675 121.223 0.057 0.000 2.272 516 L HA 0.726 5.065 4.340 -0.000 0.000 0.289 516 L C 0.445 177.360 176.870 0.076 0.000 1.032 516 L CA -0.210 54.663 54.840 0.055 0.000 0.810 516 L CB 0.638 42.725 42.059 0.047 0.000 1.205 516 L HN 0.737 nan 8.230 nan 0.000 0.422 517 G N 3.470 112.320 108.800 0.083 0.000 2.394 517 G HA2 0.381 4.341 3.960 -0.000 0.000 0.298 517 G HA3 0.381 4.341 3.960 -0.000 0.000 0.298 517 G C -0.030 174.939 174.900 0.115 0.000 1.087 517 G CA -0.081 45.074 45.100 0.092 0.000 1.035 517 G HN 0.788 nan 8.290 nan 0.000 0.420 518 T N 0.295 114.935 114.554 0.143 0.000 2.870 518 T HA 0.258 4.608 4.350 -0.000 0.000 0.300 518 T C 0.723 175.552 174.700 0.215 0.000 0.989 518 T CA -0.710 61.504 62.100 0.189 0.000 1.139 518 T CB 1.962 70.985 68.868 0.259 0.000 0.920 518 T HN 0.409 nan 8.240 nan 0.000 0.537 519 V N 5.549 125.556 119.914 0.155 0.000 2.901 519 V HA 0.269 4.389 4.120 -0.000 0.000 0.307 519 V C 0.125 176.221 176.094 0.003 0.000 1.084 519 V CA 0.493 62.831 62.300 0.064 0.000 1.184 519 V CB -0.395 31.463 31.823 0.058 0.000 0.941 519 V HN 1.206 nan 8.190 nan 0.000 0.493 520 H N 2.446 121.367 119.070 -0.249 0.000 2.987 520 H HA 0.425 4.981 4.556 -0.000 0.000 0.316 520 H C -1.007 174.161 175.328 -0.266 0.000 1.380 520 H CA -0.298 55.469 56.048 -0.467 0.000 1.160 520 H CB 1.280 30.312 29.762 -1.217 0.000 1.865 520 H HN 0.660 nan 8.280 nan 0.000 0.521 521 T N -0.571 113.843 114.554 -0.234 0.000 2.895 521 T HA 0.450 4.800 4.350 -0.000 0.000 0.283 521 T C -0.542 174.042 174.700 -0.193 0.000 1.014 521 T CA -0.765 61.230 62.100 -0.175 0.000 1.037 521 T CB 1.795 70.595 68.868 -0.114 0.000 1.006 521 T HN 0.672 nan 8.240 nan 0.000 0.468 522 H N 0.971 119.852 119.070 -0.314 0.000 2.524 522 H HA 0.649 5.205 4.556 -0.000 0.000 0.353 522 H C -0.374 174.919 175.328 -0.059 0.000 1.136 522 H CA -0.988 54.955 56.048 -0.176 0.000 1.193 522 H CB 2.052 31.639 29.762 -0.292 0.000 1.558 522 H HN 0.871 nan 8.280 nan 0.000 0.515 523 S N 1.017 116.857 115.700 0.233 0.000 2.564 523 S HA 0.827 5.297 4.470 -0.000 0.000 0.274 523 S C -0.823 174.031 174.600 0.423 0.000 1.124 523 S CA -1.018 57.391 58.200 0.347 0.000 0.869 523 S CB 2.530 65.873 63.200 0.238 0.000 1.105 523 S HN 0.826 nan 8.310 nan 0.000 0.472 524 A N 0.956 124.028 122.820 0.420 0.000 2.498 524 A HA 0.787 5.107 4.320 -0.000 0.000 0.298 524 A C -1.397 176.138 177.584 -0.081 0.000 1.075 524 A CA -0.607 51.426 52.037 -0.008 0.000 0.714 524 A CB 1.368 20.198 19.000 -0.283 0.000 1.299 524 A HN 0.964 nan 8.150 nan 0.000 0.407 525 H N 0.702 119.260 119.070 -0.854 0.000 2.529 525 H HA 0.646 5.202 4.556 -0.000 0.000 0.348 525 H C -1.798 173.068 175.328 -0.770 0.000 1.079 525 H CA -0.416 55.169 56.048 -0.773 0.000 1.198 525 H CB 1.032 29.944 29.762 -1.417 0.000 1.521 525 H HN 0.515 nan 8.280 nan 0.000 0.514 526 F N 2.602 122.310 119.950 -0.403 0.000 2.532 526 F HA 0.317 4.844 4.527 -0.000 0.000 0.321 526 F C 0.072 175.660 175.800 -0.352 0.000 1.089 526 F CA -0.864 56.974 58.000 -0.270 0.000 0.926 526 F CB 1.840 40.854 39.000 0.024 0.000 1.168 526 F HN 0.265 nan 8.300 nan 0.000 0.459 527 K N 2.243 122.567 120.400 -0.127 0.000 2.240 527 K HA 0.659 4.979 4.320 -0.000 0.000 0.271 527 K C -1.647 174.761 176.600 -0.320 0.000 1.018 527 K CA -0.422 55.644 56.287 -0.369 0.000 0.874 527 K CB 1.304 33.590 32.500 -0.356 0.000 1.098 527 K HN 0.545 nan 8.250 nan 0.000 0.458 528 V N 4.399 124.064 119.914 -0.416 0.000 2.289 528 V HA 0.069 4.189 4.120 -0.000 0.000 0.272 528 V C -0.564 175.362 176.094 -0.281 0.000 1.026 528 V CA -0.818 61.310 62.300 -0.288 0.000 0.807 528 V CB 0.936 32.584 31.823 -0.291 0.000 1.044 528 V HN 0.741 nan 8.190 nan 0.000 0.443 529 D N 4.833 125.104 120.400 -0.215 0.000 2.563 529 D HA 0.259 4.899 4.640 -0.000 0.000 0.222 529 D C 0.081 176.353 176.300 -0.046 0.000 1.145 529 D CA -0.044 53.880 54.000 -0.126 0.000 1.001 529 D CB 0.307 41.085 40.800 -0.036 0.000 1.049 529 D HN 0.396 nan 8.370 nan 0.000 0.515 530 L N 2.167 123.356 121.223 -0.055 0.000 2.416 530 L HA 0.167 4.507 4.340 -0.000 0.000 0.272 530 L C 0.352 177.241 176.870 0.032 0.000 1.161 530 L CA 0.120 54.949 54.840 -0.018 0.000 0.845 530 L CB 0.730 42.789 42.059 0.000 0.000 1.119 530 L HN 0.145 nan 8.230 nan 0.000 0.464 531 D N 2.740 123.177 120.400 0.061 0.000 2.456 531 D HA 0.177 4.817 4.640 -0.000 0.000 0.287 531 D C -0.535 175.854 176.300 0.149 0.000 1.186 531 D CA -0.211 53.850 54.000 0.103 0.000 0.916 531 D CB 1.200 42.071 40.800 0.118 0.000 1.029 531 D HN 0.025 nan 8.370 nan 0.000 0.498 532 V N 1.267 121.296 119.914 0.193 0.000 2.403 532 V HA 0.269 4.388 4.120 -0.000 0.000 0.265 532 V C 1.218 177.519 176.094 0.345 0.000 1.034 532 V CA -0.491 61.996 62.300 0.312 0.000 1.036 532 V CB 0.033 32.089 31.823 0.389 0.000 1.032 532 V HN 0.687 nan 8.190 nan 0.000 0.478 533 A N 3.909 126.951 122.820 0.369 0.000 2.560 533 A HA 0.150 4.470 4.320 -0.000 0.000 0.299 533 A C 1.217 178.956 177.584 0.258 0.000 1.484 533 A CA 1.224 53.416 52.037 0.258 0.000 0.749 533 A CB -1.443 17.670 19.000 0.187 0.000 1.072 533 A HN 2.752 nan 8.150 nan 0.000 0.426 534 G N -2.349 106.577 108.800 0.211 0.000 2.409 534 G HA2 0.099 4.059 3.960 -0.000 0.000 0.421 534 G HA3 0.099 4.059 3.960 -0.000 0.000 0.421 534 G C 0.370 175.356 174.900 0.144 0.000 1.259 534 G CA -0.257 44.948 45.100 0.175 0.000 1.011 534 G HN 1.027 nan 8.290 nan 0.000 0.497 535 L N 0.103 121.385 121.223 0.098 0.000 2.127 535 L HA 0.178 4.518 4.340 -0.000 0.000 0.203 535 L C 1.200 178.083 176.870 0.022 0.000 1.080 535 L CA 0.950 55.818 54.840 0.046 0.000 0.768 535 L CB -0.419 41.643 42.059 0.006 0.000 0.924 535 L HN 0.542 nan 8.230 nan 0.000 0.444 536 E N 2.061 122.275 120.200 0.024 0.000 2.159 536 E HA 0.121 4.471 4.350 -0.000 0.000 0.272 536 E C -0.667 175.957 176.600 0.039 0.000 1.138 536 E CA 0.129 56.481 56.400 -0.080 0.000 0.915 536 E CB 0.091 29.743 29.700 -0.081 0.000 1.028 536 E HN 0.192 nan 8.360 nan 0.000 0.423 537 N N 2.552 121.223 118.700 -0.050 0.000 2.328 537 N HA 0.420 5.160 4.740 -0.000 0.000 0.299 537 N C -0.625 174.929 175.510 0.073 0.000 1.179 537 N CA -0.589 52.581 53.050 0.200 0.000 0.793 537 N CB 1.478 40.072 38.487 0.179 0.000 1.366 537 N HN 0.347 nan 8.380 nan 0.000 0.493 538 W N 0.059 121.399 121.300 0.067 0.000 2.929 538 W HA 0.511 5.171 4.660 -0.000 0.000 0.345 538 W C -0.430 176.077 176.519 -0.020 0.000 1.151 538 W CA -0.900 56.436 57.345 -0.016 0.000 1.111 538 W CB 1.703 31.122 29.460 -0.069 0.000 1.449 538 W HN 0.110 nan 8.180 nan 0.000 0.572 539 V N 0.469 120.447 119.914 0.106 0.000 2.495 539 V HA 0.549 4.669 4.120 -0.000 0.000 0.298 539 V C -1.638 174.370 176.094 -0.144 0.000 1.031 539 V CA -0.698 61.618 62.300 0.027 0.000 0.871 539 V CB 1.197 33.055 31.823 0.059 0.000 0.988 539 V HN 0.553 nan 8.190 nan 0.000 0.432 540 W N 3.656 124.783 121.300 -0.289 0.000 2.496 540 W HA 0.804 5.464 4.660 -0.000 0.000 0.327 540 W C 0.137 176.498 176.519 -0.264 0.000 1.086 540 W CA -0.483 56.638 57.345 -0.372 0.000 1.222 540 W CB 2.309 31.256 29.460 -0.854 0.000 1.304 540 W HN 0.868 nan 8.180 nan 0.000 0.547 541 A N 3.071 126.017 122.820 0.210 0.000 2.431 541 A HA 0.486 4.806 4.320 -0.000 0.000 0.318 541 A C -0.784 176.943 177.584 0.238 0.000 1.330 541 A CA -0.597 51.559 52.037 0.198 0.000 0.804 541 A CB 0.243 19.354 19.000 0.184 0.000 1.135 541 A HN 0.656 nan 8.150 nan 0.000 0.483 542 E N 1.274 121.625 120.200 0.252 0.000 2.301 542 E HA 0.450 4.800 4.350 -0.000 0.000 0.275 542 E C -0.492 176.187 176.600 0.132 0.000 1.030 542 E CA -0.133 56.376 56.400 0.181 0.000 0.852 542 E CB 1.262 31.050 29.700 0.148 0.000 1.060 542 E HN 0.726 nan 8.360 nan 0.000 0.401 543 D N 0.545 120.980 120.400 0.057 0.000 3.831 543 D HA 0.381 5.021 4.640 -0.000 0.000 0.327 543 D C -1.385 174.897 176.300 -0.030 0.000 1.505 543 D CA -0.406 53.617 54.000 0.039 0.000 0.976 543 D CB 1.134 41.968 40.800 0.057 0.000 1.421 543 D HN 0.419 nan 8.370 nan 0.000 0.624 544 M N 0.245 119.824 119.600 -0.035 0.000 2.578 544 M HA 0.683 5.163 4.480 -0.000 0.000 0.276 544 M C -2.061 174.174 176.300 -0.107 0.000 1.245 544 M CA -0.671 54.566 55.300 -0.106 0.000 0.871 544 M CB 2.830 35.346 32.600 -0.140 0.000 1.722 544 M HN 0.138 nan 8.290 nan 0.000 0.473 545 V N 1.512 121.308 119.914 -0.196 0.000 3.147 545 V HA 0.675 4.795 4.120 -0.000 0.000 0.299 545 V C -2.207 173.721 176.094 -0.276 0.000 1.302 545 V CA -0.556 61.662 62.300 -0.137 0.000 1.015 545 V CB 2.732 34.535 31.823 -0.033 0.000 1.086 545 V HN 0.912 nan 8.190 nan 0.000 0.437 546 F N 3.666 123.622 119.950 0.010 0.000 2.450 546 F HA 0.783 5.310 4.527 -0.000 0.000 0.332 546 F C -0.006 175.797 175.800 0.006 0.000 1.093 546 F CA -0.637 57.367 58.000 0.006 0.000 1.003 546 F CB 2.244 41.246 39.000 0.004 0.000 1.151 546 F HN 0.287 nan 8.300 nan 0.000 0.474 547 V N 4.239 124.271 119.914 0.196 0.000 2.462 547 V HA 0.289 4.409 4.120 -0.000 0.000 0.288 547 V C -2.375 173.773 176.094 0.090 0.000 1.020 547 V CA -2.073 60.291 62.300 0.106 0.000 0.857 547 V CB 1.460 33.318 31.823 0.058 0.000 1.013 547 V HN 0.498 nan 8.190 nan 0.000 0.431 548 P HA 0.221 nan 4.420 nan 0.000 0.262 548 P C -0.439 176.874 177.300 0.022 0.000 1.182 548 P CA 0.605 63.726 63.100 0.036 0.000 0.761 548 P CB 0.339 32.052 31.700 0.022 0.000 0.795 549 M N 1.557 121.161 119.600 0.006 0.000 2.534 549 M HA 0.491 4.971 4.480 -0.000 0.000 0.280 549 M C -0.969 175.310 176.300 -0.035 0.000 1.217 549 M CA -0.859 54.436 55.300 -0.009 0.000 0.893 549 M CB 2.450 35.048 32.600 -0.003 0.000 1.730 549 M HN 0.198 nan 8.290 nan 0.000 0.483 550 A N 1.880 124.672 122.820 -0.046 0.000 2.401 550 A HA 0.548 4.868 4.320 -0.000 0.000 0.259 550 A C -0.215 177.284 177.584 -0.140 0.000 1.103 550 A CA -0.499 51.492 52.037 -0.077 0.000 0.789 550 A CB 0.108 19.069 19.000 -0.065 0.000 1.035 550 A HN 0.617 nan 8.150 nan 0.000 0.491 551 V N 5.435 125.214 119.914 -0.226 0.000 2.509 551 V HA -0.009 4.111 4.120 -0.000 0.000 0.297 551 V C -1.303 174.507 176.094 -0.474 0.000 1.014 551 V CA -0.198 61.814 62.300 -0.481 0.000 1.127 551 V CB 0.509 31.923 31.823 -0.682 0.000 0.925 551 V HN 0.844 nan 8.190 nan 0.000 0.480 552 P HA -0.132 nan 4.420 nan 0.000 0.216 552 P C 1.088 178.381 177.300 -0.012 0.000 1.153 552 P CA 1.650 64.697 63.100 -0.087 0.000 0.858 552 P CB 0.037 31.817 31.700 0.133 0.000 0.789 553 W N -2.197 119.120 121.300 0.029 0.000 3.330 553 W HA 0.548 5.208 4.660 -0.000 0.000 0.348 553 W C 0.069 176.611 176.519 0.039 0.000 1.205 553 W CA -0.182 57.180 57.345 0.028 0.000 1.841 553 W CB -0.346 29.129 29.460 0.024 0.000 1.084 553 W HN -0.166 nan 8.180 nan 0.000 0.665 554 S N 0.744 116.287 115.700 -0.262 0.000 2.777 554 S HA 0.228 4.698 4.470 -0.000 0.000 0.140 554 S C -2.116 172.394 174.600 -0.150 0.000 1.233 554 S CA -0.691 57.433 58.200 -0.127 0.000 1.157 554 S CB 0.164 63.343 63.200 -0.035 0.000 1.600 554 S HN -0.171 nan 8.310 nan 0.000 0.432 555 P HA -0.069 nan 4.420 nan 0.000 0.228 555 P C 1.372 178.613 177.300 -0.097 0.000 1.151 555 P CA 0.547 63.585 63.100 -0.103 0.000 0.770 555 P CB 0.059 31.719 31.700 -0.066 0.000 0.786 556 E N -0.153 119.965 120.200 -0.136 0.000 2.516 556 E HA -0.155 4.194 4.350 -0.000 0.000 0.199 556 E C -0.350 176.129 176.600 -0.201 0.000 1.069 556 E CA 0.622 56.918 56.400 -0.174 0.000 0.876 556 E CB -0.689 28.889 29.700 -0.204 0.000 0.843 556 E HN 0.388 nan 8.360 nan 0.000 0.530 557 H N 0.073 119.084 119.070 -0.099 0.000 2.524 557 H HA 0.341 4.897 4.556 -0.000 0.000 0.353 557 H C -0.290 174.964 175.328 -0.125 0.000 1.136 557 H CA -0.896 55.087 56.048 -0.107 0.000 1.193 557 H CB 1.453 31.136 29.762 -0.132 0.000 1.558 557 H HN -0.029 nan 8.280 nan 0.000 0.515 558 Q N 2.331 122.162 119.800 0.053 0.000 2.257 558 Q HA 0.448 4.788 4.340 -0.000 0.000 0.262 558 Q C -1.088 174.882 176.000 -0.051 0.000 0.997 558 Q CA -0.995 54.797 55.803 -0.019 0.000 0.873 558 Q CB 3.226 31.958 28.738 -0.010 0.000 1.312 558 Q HN 0.525 nan 8.270 nan 0.000 0.450 559 L N -0.154 121.037 121.223 -0.053 0.000 2.482 559 L HA 0.403 4.743 4.340 -0.000 0.000 0.263 559 L C -1.237 175.633 176.870 -0.000 0.000 0.957 559 L CA -0.735 54.078 54.840 -0.046 0.000 0.836 559 L CB 2.182 44.193 42.059 -0.079 0.000 1.324 559 L HN 0.401 nan 8.230 nan 0.000 0.406 560 Q N 3.789 123.599 119.800 0.017 0.000 2.349 560 Q HA 0.295 4.635 4.340 -0.000 0.000 0.254 560 Q C -0.786 175.357 176.000 0.237 0.000 0.980 560 Q CA -0.395 55.456 55.803 0.080 0.000 0.924 560 Q CB 1.614 30.315 28.738 -0.062 0.000 1.209 560 Q HN 0.479 nan 8.270 nan 0.000 0.445 561 R N 2.674 123.305 120.500 0.218 0.000 2.202 561 R HA 0.285 4.625 4.340 -0.000 0.000 0.334 561 R C -1.043 175.325 176.300 0.113 0.000 1.036 561 R CA -0.503 55.688 56.100 0.152 0.000 0.878 561 R CB 0.131 30.477 30.300 0.075 0.000 1.067 561 R HN 0.458 nan 8.270 nan 0.000 0.457 562 L N 3.065 124.302 121.223 0.023 0.000 2.350 562 L HA 0.451 4.791 4.340 -0.000 0.000 0.275 562 L C -0.869 175.892 176.870 -0.182 0.000 1.099 562 L CA 0.414 55.092 54.840 -0.271 0.000 0.808 562 L CB 1.213 43.088 42.059 -0.306 0.000 1.149 562 L HN 0.722 nan 8.230 nan 0.000 0.442 563 Q N 2.409 122.066 119.800 -0.238 0.000 2.295 563 Q HA 0.475 4.815 4.340 -0.000 0.000 0.268 563 Q C -1.353 174.557 176.000 -0.148 0.000 1.010 563 Q CA -0.742 54.976 55.803 -0.141 0.000 0.856 563 Q CB 2.461 31.147 28.738 -0.087 0.000 1.349 563 Q HN 0.550 nan 8.270 nan 0.000 0.412 564 V N 1.121 120.966 119.914 -0.115 0.000 3.133 564 V HA 0.373 4.493 4.120 -0.000 0.000 0.305 564 V C 0.022 176.085 176.094 -0.053 0.000 1.084 564 V CA 0.224 62.461 62.300 -0.105 0.000 1.089 564 V CB 1.703 33.455 31.823 -0.118 0.000 1.073 564 V HN 0.791 nan 8.190 nan 0.000 0.477 565 T N 3.772 118.311 114.554 -0.025 0.000 3.078 565 T HA 0.404 4.753 4.350 -0.000 0.000 0.328 565 T C -0.648 174.101 174.700 0.083 0.000 0.987 565 T CA -0.569 61.547 62.100 0.027 0.000 1.049 565 T CB 0.200 69.081 68.868 0.022 0.000 1.011 565 T HN 0.645 nan 8.240 nan 0.000 0.463 566 R N 2.761 123.340 120.500 0.131 0.000 2.387 566 R HA 0.655 4.995 4.340 -0.000 0.000 0.314 566 R C -0.432 176.071 176.300 0.339 0.000 0.958 566 R CA -1.089 55.173 56.100 0.269 0.000 0.846 566 R CB 2.131 32.579 30.300 0.247 0.000 1.147 566 R HN 0.380 nan 8.270 nan 0.000 0.447 567 K N 3.393 123.991 120.400 0.329 0.000 2.378 567 K HA 0.332 4.652 4.320 -0.000 0.000 0.252 567 K C -1.370 175.221 176.600 -0.015 0.000 0.931 567 K CA -0.870 55.514 56.287 0.161 0.000 0.794 567 K CB 1.763 34.322 32.500 0.098 0.000 1.181 567 K HN 0.529 nan 8.250 nan 0.000 0.425 568 L N 5.870 126.869 121.223 -0.373 0.000 2.259 568 L HA 0.362 4.702 4.340 -0.000 0.000 0.288 568 L C -1.160 175.491 176.870 -0.365 0.000 1.051 568 L CA -0.472 53.881 54.840 -0.811 0.000 0.824 568 L CB 0.549 41.822 42.059 -1.310 0.000 1.206 568 L HN 0.645 nan 8.230 nan 0.000 0.429 569 L N 5.118 126.197 121.223 -0.241 0.000 2.433 569 L HA 0.141 4.481 4.340 -0.000 0.000 0.275 569 L C 0.918 177.731 176.870 -0.094 0.000 1.128 569 L CA 0.144 54.918 54.840 -0.110 0.000 0.875 569 L CB 0.758 42.794 42.059 -0.039 0.000 1.171 569 L HN 0.771 nan 8.230 nan 0.000 0.463 570 E N 2.366 122.521 120.200 -0.074 0.000 2.276 570 E HA 0.122 4.472 4.350 -0.000 0.000 0.193 570 E C -0.008 176.558 176.600 -0.056 0.000 0.983 570 E CA 0.556 56.925 56.400 -0.052 0.000 0.861 570 E CB 0.518 30.194 29.700 -0.040 0.000 0.817 570 E HN 0.428 nan 8.360 nan 0.000 0.485 571 M N 0.183 119.748 119.600 -0.058 0.000 2.464 571 M HA 0.224 4.704 4.480 -0.000 0.000 0.308 571 M C 0.549 176.809 176.300 -0.066 0.000 1.127 571 M CA -0.243 55.022 55.300 -0.059 0.000 0.913 571 M CB 1.706 34.275 32.600 -0.051 0.000 1.689 571 M HN -0.056 nan 8.290 nan 0.000 0.445 572 E N 1.164 121.328 120.200 -0.060 0.000 2.108 572 E HA -0.250 4.100 4.350 -0.000 0.000 0.203 572 E C 0.983 177.531 176.600 -0.088 0.000 1.022 572 E CA 1.786 58.151 56.400 -0.059 0.000 0.823 572 E CB 0.318 29.989 29.700 -0.049 0.000 0.744 572 E HN 0.559 nan 8.360 nan 0.000 0.456 573 E N 0.605 120.754 120.200 -0.084 0.000 2.153 573 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 573 E C 1.997 178.508 176.600 -0.148 0.000 0.988 573 E CA 0.921 57.265 56.400 -0.092 0.000 0.811 573 E CB -0.226 29.439 29.700 -0.059 0.000 0.746 573 E HN 0.474 nan 8.360 nan 0.000 0.466 574 Q N 0.202 119.914 119.800 -0.147 0.000 2.172 574 Q HA 0.044 4.384 4.340 -0.000 0.000 0.200 574 Q C 1.798 177.565 176.000 -0.388 0.000 0.964 574 Q CA 1.206 56.894 55.803 -0.193 0.000 0.855 574 Q CB 0.048 28.724 28.738 -0.102 0.000 0.918 574 Q HN 0.212 nan 8.270 nan 0.000 0.444 575 A N 0.452 123.088 122.820 -0.307 0.000 2.275 575 A HA 0.413 4.733 4.320 -0.000 0.000 0.212 575 A C 0.754 178.116 177.584 -0.371 0.000 1.201 575 A CA 0.045 51.902 52.037 -0.301 0.000 0.843 575 A CB 0.224 19.212 19.000 -0.020 0.000 0.873 575 A HN 0.220 nan 8.150 nan 0.000 0.492 576 A N 0.135 122.724 122.820 -0.386 0.000 2.302 576 A HA 0.630 4.950 4.320 -0.000 0.000 0.295 576 A C -0.847 176.616 177.584 -0.202 0.000 1.235 576 A CA -0.140 51.788 52.037 -0.182 0.000 0.876 576 A CB -0.489 18.444 19.000 -0.111 0.000 1.133 576 A HN 0.286 nan 8.150 nan 0.000 0.533 577 F N 2.841 122.961 119.950 0.282 0.000 2.449 577 F HA 0.390 4.916 4.527 -0.000 0.000 0.342 577 F C 0.241 176.222 175.800 0.302 0.000 1.127 577 F CA -0.485 57.662 58.000 0.245 0.000 0.975 577 F CB 1.564 40.665 39.000 0.169 0.000 1.146 577 F HN 0.372 nan 8.300 nan 0.000 0.444 578 L N 3.856 125.289 121.223 0.349 0.000 2.395 578 L HA 0.308 4.648 4.340 -0.000 0.000 0.269 578 L C 0.129 177.078 176.870 0.131 0.000 1.133 578 L CA -0.906 54.019 54.840 0.142 0.000 0.812 578 L CB 1.023 43.090 42.059 0.014 0.000 1.125 578 L HN 0.280 nan 8.230 nan 0.000 0.452 579 V N 2.854 122.806 119.914 0.063 0.000 2.720 579 V HA 0.122 4.242 4.120 -0.000 0.000 0.307 579 V C 1.171 177.291 176.094 0.042 0.000 1.071 579 V CA 1.874 64.209 62.300 0.058 0.000 1.199 579 V CB 0.495 32.333 31.823 0.024 0.000 0.900 579 V HN 1.161 nan 8.190 nan 0.000 0.494 580 G N 3.936 112.767 108.800 0.051 0.000 2.956 580 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.210 580 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.210 580 G C 0.393 175.326 174.900 0.055 0.000 1.316 580 G CA 0.039 45.165 45.100 0.043 0.000 0.819 580 G HN 1.208 nan 8.290 nan 0.000 0.544 581 S N 1.612 117.357 115.700 0.076 0.000 2.572 581 S HA 0.698 5.167 4.470 -0.000 0.000 0.279 581 S C 0.676 175.331 174.600 0.091 0.000 1.341 581 S CA 0.496 58.753 58.200 0.095 0.000 1.043 581 S CB 1.731 65.010 63.200 0.132 0.000 0.887 581 S HN 1.908 nan 8.310 nan 0.000 0.516 582 A N 1.470 124.334 122.820 0.073 0.000 2.280 582 A HA 0.751 5.071 4.320 -0.000 0.000 0.268 582 A C 0.618 178.210 177.584 0.013 0.000 1.111 582 A CA -0.077 51.981 52.037 0.034 0.000 0.814 582 A CB 0.236 19.255 19.000 0.032 0.000 1.093 582 A HN 1.408 nan 8.150 nan 0.000 0.498 583 T N -1.371 113.134 114.554 -0.081 0.000 2.889 583 T HA 0.632 4.982 4.350 -0.000 0.000 0.315 583 T C -3.249 171.325 174.700 -0.210 0.000 1.291 583 T CA -1.253 60.669 62.100 -0.296 0.000 1.028 583 T CB 1.153 69.736 68.868 -0.476 0.000 1.235 583 T HN 0.394 nan 8.240 nan 0.000 0.491 584 P HA 0.409 nan 4.420 nan 0.000 0.267 584 P C 0.683 177.953 177.300 -0.049 0.000 1.205 584 P CA -0.469 62.591 63.100 -0.067 0.000 0.765 584 P CB 0.582 32.277 31.700 -0.009 0.000 0.828 585 R N 1.667 122.184 120.500 0.029 0.000 2.081 585 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 585 R C 0.117 176.419 176.300 0.002 0.000 1.131 585 R CA 1.361 57.483 56.100 0.038 0.000 0.960 585 R CB -0.187 30.191 30.300 0.130 0.000 0.856 585 R HN 0.491 nan 8.270 nan 0.000 0.436 586 Y N 0.046 120.306 120.300 -0.067 0.000 2.369 586 Y HA 0.370 4.920 4.550 -0.000 0.000 0.337 586 Y C -0.599 175.303 175.900 0.004 0.000 0.961 586 Y CA -0.652 57.392 58.100 -0.092 0.000 1.186 586 Y CB 1.243 39.599 38.460 -0.173 0.000 1.139 586 Y HN -0.031 nan 8.280 nan 0.000 0.494 587 L N 6.956 128.226 121.223 0.078 0.000 2.404 587 L HA 0.602 4.942 4.340 -0.000 0.000 0.272 587 L C -1.685 175.300 176.870 0.191 0.000 0.980 587 L CA -0.705 54.204 54.840 0.114 0.000 0.836 587 L CB 0.958 43.025 42.059 0.013 0.000 1.238 587 L HN 0.602 nan 8.230 nan 0.000 0.408 588 Y N 3.420 123.788 120.300 0.114 0.000 2.534 588 Y HA 0.674 5.224 4.550 -0.000 0.000 0.345 588 Y C -1.669 174.383 175.900 0.252 0.000 1.031 588 Y CA -1.471 56.718 58.100 0.147 0.000 1.022 588 Y CB 1.075 39.602 38.460 0.112 0.000 1.292 588 Y HN 0.262 nan 8.280 nan 0.000 0.459 589 L N 3.382 124.827 121.223 0.371 0.000 2.375 589 L HA 0.883 5.223 4.340 -0.000 0.000 0.271 589 L C 0.114 177.293 176.870 0.515 0.000 1.107 589 L CA -0.737 54.308 54.840 0.341 0.000 0.806 589 L CB 1.267 43.477 42.059 0.251 0.000 1.146 589 L HN 1.001 nan 8.230 nan 0.000 0.447 590 A N 2.102 125.226 122.820 0.508 0.000 2.583 590 A HA 0.726 5.046 4.320 -0.000 0.000 0.289 590 A C -1.017 176.882 177.584 0.524 0.000 1.151 590 A CA -0.416 51.968 52.037 0.578 0.000 0.695 590 A CB 2.025 21.456 19.000 0.718 0.000 1.290 590 A HN 0.544 nan 8.150 nan 0.000 0.419 591 S N -1.200 114.759 115.700 0.431 0.000 2.648 591 S HA 0.395 4.865 4.470 -0.000 0.000 0.305 591 S C 1.082 175.766 174.600 0.141 0.000 1.094 591 S CA -0.221 58.202 58.200 0.372 0.000 0.983 591 S CB 1.457 64.849 63.200 0.320 0.000 1.101 591 S HN 0.845 nan 8.310 nan 0.000 0.514 592 N N 1.714 120.438 118.700 0.040 0.000 2.018 592 N HA -0.131 4.609 4.740 -0.000 0.000 0.196 592 N C 0.408 175.842 175.510 -0.128 0.000 1.043 592 N CA 1.629 54.536 53.050 -0.238 0.000 0.856 592 N CB -0.625 37.798 38.487 -0.106 0.000 1.042 592 N HN 0.652 nan 8.380 nan 0.000 0.423 593 H N -0.697 118.399 119.070 0.043 0.000 2.964 593 H HA 0.112 4.668 4.556 -0.000 0.000 0.368 593 H C 0.006 175.321 175.328 -0.021 0.000 1.212 593 H CA 0.552 56.601 56.048 0.001 0.000 1.421 593 H CB 0.320 30.079 29.762 -0.004 0.000 1.385 593 H HN 0.172 nan 8.280 nan 0.000 0.614 594 S N 0.951 116.699 115.700 0.080 0.000 2.632 594 S HA 0.188 4.658 4.470 -0.000 0.000 0.289 594 S C 0.107 174.655 174.600 -0.088 0.000 1.115 594 S CA -1.153 57.041 58.200 -0.010 0.000 0.889 594 S CB 1.808 64.983 63.200 -0.043 0.000 1.116 594 S HN 0.743 nan 8.310 nan 0.000 0.486 595 N N 1.132 119.767 118.700 -0.108 0.000 2.327 595 N HA 0.164 4.904 4.740 -0.000 0.000 0.257 595 N C 0.807 176.141 175.510 -0.295 0.000 1.281 595 N CA -0.501 52.438 53.050 -0.185 0.000 0.942 595 N CB 0.164 38.589 38.487 -0.104 0.000 1.199 595 N HN 0.626 nan 8.380 nan 0.000 0.532 596 K N -0.366 119.717 120.400 -0.528 0.000 2.107 596 K HA -0.159 4.161 4.320 -0.000 0.000 0.211 596 K C 1.075 177.251 176.600 -0.707 0.000 1.049 596 K CA 1.860 57.659 56.287 -0.814 0.000 0.927 596 K CB -0.219 31.412 32.500 -1.448 0.000 0.714 596 K HN 0.691 nan 8.250 nan 0.000 0.452 597 W N -0.378 120.866 121.300 -0.093 0.000 3.180 597 W HA 0.188 4.848 4.660 -0.000 0.000 0.254 597 W C 1.125 177.499 176.519 -0.242 0.000 1.318 597 W CA 0.094 57.359 57.345 -0.132 0.000 1.608 597 W CB 0.267 29.673 29.460 -0.089 0.000 1.124 597 W HN 0.353 nan 8.180 nan 0.000 0.694 598 G N -0.136 108.593 108.800 -0.117 0.000 2.141 598 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.242 598 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.242 598 G C 0.019 174.756 174.900 -0.271 0.000 0.982 598 G CA -0.363 44.626 45.100 -0.186 0.000 0.662 598 G HN 0.355 nan 8.290 nan 0.000 0.527 599 H N 0.986 120.037 119.070 -0.032 0.000 2.481 599 H HA 0.386 4.942 4.556 -0.000 0.000 0.339 599 H C -2.145 173.137 175.328 -0.076 0.000 1.131 599 H CA -1.546 54.449 56.048 -0.089 0.000 1.301 599 H CB 1.382 31.055 29.762 -0.148 0.000 1.476 599 H HN 0.144 nan 8.280 nan 0.000 0.529 600 P HA 0.067 nan 4.420 nan 0.000 0.271 600 P C -0.200 177.181 177.300 0.136 0.000 1.220 600 P CA -0.116 63.043 63.100 0.098 0.000 0.768 600 P CB 0.731 32.506 31.700 0.124 0.000 0.848 601 R N 2.008 122.593 120.500 0.141 0.000 2.421 601 R HA 0.448 4.788 4.340 -0.000 0.000 0.305 601 R C 0.893 177.402 176.300 0.348 0.000 1.039 601 R CA 0.224 56.417 56.100 0.154 0.000 1.003 601 R CB 0.155 30.479 30.300 0.041 0.000 0.959 601 R HN 0.598 nan 8.270 nan 0.000 0.427 602 G N 2.191 111.197 108.800 0.343 0.000 2.571 602 G HA2 0.428 4.388 3.960 -0.000 0.000 0.304 602 G HA3 0.428 4.388 3.960 -0.000 0.000 0.304 602 G C -1.752 173.341 174.900 0.323 0.000 1.314 602 G CA -0.421 44.951 45.100 0.454 0.000 0.975 602 G HN 0.387 nan 8.290 nan 0.000 0.485 603 Y N 0.479 120.951 120.300 0.285 0.000 2.335 603 Y HA 0.555 5.105 4.550 -0.000 0.000 0.338 603 Y C 0.677 176.699 175.900 0.203 0.000 0.977 603 Y CA -0.675 57.517 58.100 0.152 0.000 1.114 603 Y CB 2.012 40.499 38.460 0.046 0.000 1.182 603 Y HN 0.586 nan 8.280 nan 0.000 0.463 604 R N 4.256 124.848 120.500 0.154 0.000 2.407 604 R HA 0.627 4.967 4.340 -0.000 0.000 0.303 604 R C -1.445 174.914 176.300 0.098 0.000 0.981 604 R CA -0.437 55.728 56.100 0.109 0.000 0.905 604 R CB 0.643 30.878 30.300 -0.108 0.000 1.099 604 R HN 0.741 nan 8.270 nan 0.000 0.459 605 I N 3.379 123.996 120.570 0.077 0.000 2.365 605 I HA 0.194 4.363 4.170 -0.000 0.000 0.291 605 I C -0.128 175.991 176.117 0.003 0.000 1.004 605 I CA -0.094 61.231 61.300 0.041 0.000 1.311 605 I CB 1.572 39.556 38.000 -0.027 0.000 1.401 605 I HN 0.558 nan 8.210 nan 0.000 0.491 606 Q N 7.736 127.571 119.800 0.059 0.000 2.294 606 Q HA 0.473 4.813 4.340 -0.000 0.000 0.264 606 Q C -1.456 174.607 176.000 0.105 0.000 0.992 606 Q CA -0.641 55.176 55.803 0.024 0.000 0.747 606 Q CB 1.711 30.443 28.738 -0.010 0.000 1.262 606 Q HN 0.644 nan 8.270 nan 0.000 0.452 607 M N 2.534 122.153 119.600 0.033 0.000 2.369 607 M HA 0.488 4.968 4.480 -0.000 0.000 0.291 607 M C -0.753 175.533 176.300 -0.024 0.000 1.178 607 M CA -0.652 54.674 55.300 0.043 0.000 0.996 607 M CB 1.102 33.708 32.600 0.010 0.000 1.472 607 M HN 0.552 nan 8.290 nan 0.000 0.496 608 L N 0.828 122.000 121.223 -0.085 0.000 2.563 608 L HA 0.379 4.719 4.340 -0.000 0.000 0.259 608 L C -1.140 175.517 176.870 -0.355 0.000 1.034 608 L CA 0.097 54.793 54.840 -0.240 0.000 0.899 608 L CB 1.514 43.465 42.059 -0.180 0.000 1.159 608 L HN 0.660 nan 8.230 nan 0.000 0.456 609 S N 1.802 117.191 115.700 -0.520 0.000 2.536 609 S HA 0.676 5.146 4.470 -0.000 0.000 0.271 609 S C -1.030 173.225 174.600 -0.574 0.000 1.134 609 S CA -0.339 57.628 58.200 -0.388 0.000 0.897 609 S CB 0.859 64.026 63.200 -0.055 0.000 1.094 609 S HN 0.259 nan 8.310 nan 0.000 0.473 610 F N 2.901 122.907 119.950 0.094 0.000 2.893 610 F HA 0.526 5.053 4.527 -0.000 0.000 0.340 610 F C 1.065 176.931 175.800 0.109 0.000 1.300 610 F CA -0.563 57.483 58.000 0.076 0.000 1.227 610 F CB 0.167 39.192 39.000 0.043 0.000 1.044 610 F HN 0.757 nan 8.300 nan 0.000 0.512 611 A N 0.923 123.854 122.820 0.185 0.000 2.616 611 A HA 0.273 4.593 4.320 -0.000 0.000 0.242 611 A C 1.156 178.820 177.584 0.133 0.000 0.987 611 A CA 0.863 52.990 52.037 0.150 0.000 0.800 611 A CB -0.352 18.709 19.000 0.101 0.000 0.883 611 A HN 0.643 nan 8.150 nan 0.000 0.496 612 G N 1.471 110.331 108.800 0.100 0.000 2.503 612 G HA2 0.427 4.387 3.960 -0.000 0.000 0.257 612 G HA3 0.427 4.387 3.960 -0.000 0.000 0.257 612 G C 0.061 174.975 174.900 0.023 0.000 1.214 612 G CA -0.546 44.584 45.100 0.049 0.000 0.839 612 G HN 0.856 nan 8.290 nan 0.000 0.559 613 E N 1.060 121.265 120.200 0.010 0.000 2.415 613 E HA 0.056 4.406 4.350 -0.000 0.000 0.263 613 E C -1.829 174.755 176.600 -0.025 0.000 0.995 613 E CA -0.904 55.493 56.400 -0.005 0.000 0.915 613 E CB 0.716 30.413 29.700 -0.005 0.000 0.951 613 E HN 0.145 nan 8.360 nan 0.000 0.449 614 P HA 0.027 nan 4.420 nan 0.000 0.274 614 P C -0.450 176.826 177.300 -0.042 0.000 1.231 614 P CA -0.559 62.504 63.100 -0.063 0.000 0.790 614 P CB 0.431 32.078 31.700 -0.089 0.000 0.951 615 L N 4.775 125.985 121.223 -0.022 0.000 2.640 615 L HA 0.052 4.392 4.340 -0.000 0.000 0.280 615 L C -2.053 174.807 176.870 -0.016 0.000 1.229 615 L CA -0.672 54.176 54.840 0.014 0.000 0.919 615 L CB -0.921 41.206 42.059 0.112 0.000 1.168 615 L HN 0.342 nan 8.230 nan 0.000 0.496 616 P HA 0.019 nan 4.420 nan 0.000 0.268 616 P C 0.148 177.423 177.300 -0.041 0.000 1.205 616 P CA -0.115 62.968 63.100 -0.028 0.000 0.771 616 P CB 0.479 32.171 31.700 -0.013 0.000 0.858 617 Q N 1.675 121.442 119.800 -0.056 0.000 2.133 617 Q HA -0.274 4.066 4.340 -0.000 0.000 0.208 617 Q C 1.607 177.578 176.000 -0.049 0.000 0.991 617 Q CA 1.407 57.171 55.803 -0.066 0.000 0.867 617 Q CB -0.373 28.328 28.738 -0.061 0.000 0.911 617 Q HN 0.485 nan 8.270 nan 0.000 0.417 618 N N 0.874 119.556 118.700 -0.030 0.000 2.247 618 N HA -0.119 4.621 4.740 -0.000 0.000 0.189 618 N C 0.564 176.069 175.510 -0.008 0.000 1.009 618 N CA 0.705 53.745 53.050 -0.016 0.000 0.872 618 N CB -0.189 38.293 38.487 -0.008 0.000 0.980 618 N HN 0.113 nan 8.380 nan 0.000 0.436 619 S N -0.447 115.246 115.700 -0.012 0.000 2.548 619 S HA 0.148 4.618 4.470 -0.000 0.000 0.277 619 S C 1.521 176.123 174.600 0.003 0.000 1.315 619 S CA -0.089 58.115 58.200 0.008 0.000 1.050 619 S CB 1.026 64.231 63.200 0.009 0.000 0.918 619 S HN 0.318 nan 8.310 nan 0.000 0.497 620 S N 5.246 120.988 115.700 0.070 0.000 2.400 620 S HA -0.207 4.263 4.470 -0.000 0.000 0.232 620 S C 1.841 176.474 174.600 0.055 0.000 1.025 620 S CA 1.372 59.647 58.200 0.124 0.000 0.993 620 S CB -0.675 62.683 63.200 0.263 0.000 0.808 620 S HN 0.825 nan 8.310 nan 0.000 0.478 621 M N 1.523 121.097 119.600 -0.043 0.000 2.279 621 M HA 0.004 4.484 4.480 -0.000 0.000 0.264 621 M C 2.255 178.212 176.300 -0.571 0.000 1.062 621 M CA 1.361 56.431 55.300 -0.384 0.000 1.099 621 M CB -0.485 31.966 32.600 -0.248 0.000 1.394 621 M HN 0.519 nan 8.290 nan 0.000 0.426 622 A N 0.141 122.686 122.820 -0.459 0.000 2.125 622 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 622 A C 1.887 179.036 177.584 -0.726 0.000 1.156 622 A CA 1.044 52.684 52.037 -0.661 0.000 0.671 622 A CB -0.553 18.267 19.000 -0.300 0.000 0.794 622 A HN 0.432 nan 8.150 nan 0.000 0.459 623 R N -0.544 119.664 120.500 -0.486 0.000 2.189 623 R HA -0.069 4.271 4.340 -0.000 0.000 0.218 623 R C 2.120 178.219 176.300 -0.336 0.000 1.074 623 R CA 1.012 56.921 56.100 -0.319 0.000 0.991 623 R CB -1.061 29.136 30.300 -0.171 0.000 0.883 623 R HN 0.506 nan 8.270 nan 0.000 0.457 624 G N 0.555 109.043 108.800 -0.521 0.000 2.598 624 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.215 624 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.215 624 G C 0.369 175.216 174.900 -0.088 0.000 1.131 624 G CA 0.196 45.124 45.100 -0.286 0.000 0.785 624 G HN 0.366 nan 8.290 nan 0.000 0.539 625 F N -0.916 118.948 119.950 -0.144 0.000 2.664 625 F HA 0.397 4.924 4.527 -0.000 0.000 0.353 625 F C 0.959 176.398 175.800 -0.602 0.000 1.498 625 F CA -0.956 56.816 58.000 -0.380 0.000 1.109 625 F CB -0.085 38.581 39.000 -0.556 0.000 1.728 625 F HN -0.070 nan 8.300 nan 0.000 0.580 626 S N -0.284 115.302 115.700 -0.190 0.000 2.515 626 S HA -0.145 4.325 4.470 -0.000 0.000 0.231 626 S C 1.635 176.276 174.600 0.068 0.000 0.987 626 S CA 0.581 58.734 58.200 -0.077 0.000 0.936 626 S CB -0.532 62.702 63.200 0.057 0.000 0.766 626 S HN 0.837 nan 8.310 nan 0.000 0.528 627 W N 2.332 123.593 121.300 -0.065 0.000 2.392 627 W HA 0.056 4.716 4.660 -0.000 0.000 0.279 627 W C 1.455 177.852 176.519 -0.204 0.000 1.225 627 W CA 0.848 57.936 57.345 -0.428 0.000 1.233 627 W CB -0.849 27.698 29.460 -1.521 0.000 1.122 627 W HN 0.378 nan 8.180 nan 0.000 0.561 628 E N 1.514 121.202 120.200 -0.854 0.000 2.171 628 E HA -0.228 4.122 4.350 -0.000 0.000 0.197 628 E C 2.128 178.601 176.600 -0.213 0.000 0.997 628 E CA 1.798 57.827 56.400 -0.618 0.000 0.810 628 E CB -0.111 29.189 29.700 -0.667 0.000 0.738 628 E HN 0.366 nan 8.360 nan 0.000 0.467 629 R N -0.746 119.628 120.500 -0.209 0.000 2.276 629 R HA -0.018 4.321 4.340 -0.000 0.000 0.203 629 R C 0.225 176.343 176.300 -0.303 0.000 1.017 629 R CA 0.348 56.282 56.100 -0.278 0.000 1.010 629 R CB -0.063 29.992 30.300 -0.409 0.000 0.900 629 R HN 0.154 nan 8.270 nan 0.000 0.469 630 Y N 0.913 121.270 120.300 0.095 0.000 2.419 630 Y HA 0.138 4.688 4.550 -0.000 0.000 0.328 630 Y C 1.688 177.705 175.900 0.196 0.000 1.162 630 Y CA -0.706 57.502 58.100 0.180 0.000 1.174 630 Y CB 1.292 39.916 38.460 0.273 0.000 1.228 630 Y HN -0.170 nan 8.280 nan 0.000 0.473 631 Q N 1.169 121.194 119.800 0.374 0.000 2.134 631 Q HA 0.114 4.454 4.340 -0.000 0.000 0.195 631 Q C -0.604 175.589 176.000 0.322 0.000 0.958 631 Q CA 0.728 56.705 55.803 0.290 0.000 0.840 631 Q CB 0.599 29.461 28.738 0.207 0.000 0.918 631 Q HN 0.544 nan 8.270 nan 0.000 0.467 632 L N -0.966 120.497 121.223 0.399 0.000 2.505 632 L HA 0.695 5.035 4.340 -0.000 0.000 0.259 632 L C -2.224 174.895 176.870 0.416 0.000 0.952 632 L CA -0.533 54.521 54.840 0.357 0.000 0.840 632 L CB 2.309 44.533 42.059 0.275 0.000 1.358 632 L HN -0.006 nan 8.230 nan 0.000 0.409 633 A N 3.520 126.567 122.820 0.378 0.000 2.520 633 A HA 0.852 5.172 4.320 -0.000 0.000 0.298 633 A C -1.853 175.940 177.584 0.349 0.000 1.051 633 A CA -0.541 51.685 52.037 0.316 0.000 0.690 633 A CB 1.917 21.076 19.000 0.265 0.000 1.281 633 A HN 0.587 nan 8.150 nan 0.000 0.402 634 V N 0.753 120.801 119.914 0.222 0.000 2.680 634 V HA 0.892 5.012 4.120 -0.000 0.000 0.309 634 V C 0.072 176.258 176.094 0.153 0.000 1.052 634 V CA -0.378 62.024 62.300 0.169 0.000 0.908 634 V CB 1.982 33.868 31.823 0.105 0.000 1.001 634 V HN 1.003 nan 8.190 nan 0.000 0.431 635 T N 2.282 116.929 114.554 0.155 0.000 2.932 635 T HA 0.309 4.659 4.350 -0.000 0.000 0.318 635 T C -0.893 173.854 174.700 0.078 0.000 1.265 635 T CA -0.490 61.714 62.100 0.173 0.000 1.036 635 T CB 2.021 71.163 68.868 0.457 0.000 1.209 635 T HN 0.732 nan 8.240 nan 0.000 0.484 636 Q N 2.020 121.837 119.800 0.028 0.000 2.289 636 Q HA 0.161 4.501 4.340 -0.000 0.000 0.273 636 Q C 0.161 176.160 176.000 -0.001 0.000 1.029 636 Q CA 0.089 55.881 55.803 -0.020 0.000 0.896 636 Q CB 0.609 29.318 28.738 -0.049 0.000 1.182 636 Q HN 0.262 nan 8.270 nan 0.000 0.385 637 R N 3.888 124.373 120.500 -0.026 0.000 2.220 637 R HA 0.161 4.501 4.340 -0.000 0.000 0.340 637 R C -1.069 175.204 176.300 -0.044 0.000 1.076 637 R CA 0.102 56.188 56.100 -0.023 0.000 0.920 637 R CB 0.287 30.554 30.300 -0.056 0.000 1.062 637 R HN 0.461 nan 8.270 nan 0.000 0.469 638 K N 2.478 122.848 120.400 -0.049 0.000 2.267 638 K HA 0.195 4.515 4.320 -0.000 0.000 0.246 638 K C 0.615 177.186 176.600 -0.048 0.000 0.954 638 K CA -0.840 55.406 56.287 -0.069 0.000 0.824 638 K CB 1.918 34.352 32.500 -0.110 0.000 1.167 638 K HN 0.398 nan 8.250 nan 0.000 0.431 639 E N 1.454 121.633 120.200 -0.036 0.000 2.106 639 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 639 E C 0.756 177.349 176.600 -0.011 0.000 0.984 639 E CA 1.465 57.861 56.400 -0.007 0.000 0.806 639 E CB 0.247 29.943 29.700 -0.005 0.000 0.750 639 E HN 0.529 nan 8.360 nan 0.000 0.458 640 E N 0.822 120.994 120.200 -0.046 0.000 2.401 640 E HA -0.114 4.236 4.350 -0.000 0.000 0.199 640 E C 0.304 176.848 176.600 -0.094 0.000 1.023 640 E CA 0.638 57.002 56.400 -0.060 0.000 0.859 640 E CB -0.071 29.584 29.700 -0.075 0.000 0.780 640 E HN 0.247 nan 8.360 nan 0.000 0.523 641 E N 0.719 120.829 120.200 -0.150 0.000 3.312 641 E HA 0.078 4.428 4.350 -0.000 0.000 0.215 641 E C -1.823 174.802 176.600 0.041 0.000 1.160 641 E CA -1.106 55.112 56.400 -0.303 0.000 1.267 641 E CB 0.702 29.874 29.700 -0.881 0.000 1.361 641 E HN 0.163 nan 8.360 nan 0.000 0.433 642 P HA 0.003 nan 4.420 nan 0.000 0.224 642 P C 0.226 177.770 177.300 0.406 0.000 1.157 642 P CA 0.501 63.757 63.100 0.260 0.000 0.799 642 P CB 0.657 32.482 31.700 0.208 0.000 0.809 643 S N -1.660 114.308 115.700 0.448 0.000 2.564 643 S HA 0.339 4.809 4.470 -0.000 0.000 0.274 643 S C 0.497 175.334 174.600 0.394 0.000 1.124 643 S CA -0.338 58.121 58.200 0.431 0.000 0.869 643 S CB 1.795 65.169 63.200 0.290 0.000 1.105 643 S HN -0.121 nan 8.310 nan 0.000 0.472 644 S N 0.730 116.526 115.700 0.160 0.000 2.492 644 S HA 0.362 4.832 4.470 -0.000 0.000 0.218 644 S C 0.720 175.266 174.600 -0.090 0.000 1.016 644 S CA 0.419 58.527 58.200 -0.152 0.000 0.916 644 S CB 0.091 63.123 63.200 -0.282 0.000 0.791 644 S HN 0.536 nan 8.310 nan 0.000 0.513 645 S N -0.691 115.011 115.700 0.003 0.000 2.911 645 S HA 0.785 5.255 4.470 -0.000 0.000 0.319 645 S C -1.296 173.381 174.600 0.128 0.000 1.154 645 S CA -0.271 57.977 58.200 0.079 0.000 0.857 645 S CB 1.750 64.985 63.200 0.059 0.000 1.279 645 S HN 0.361 nan 8.310 nan 0.000 0.593 646 S N -0.713 115.064 115.700 0.128 0.000 2.567 646 S HA 0.367 4.837 4.470 -0.000 0.000 0.270 646 S C 0.183 174.782 174.600 -0.002 0.000 1.152 646 S CA -0.109 58.160 58.200 0.114 0.000 0.835 646 S CB 0.972 64.305 63.200 0.222 0.000 1.115 646 S HN 0.690 nan 8.310 nan 0.000 0.459 647 V N 2.504 122.289 119.914 -0.216 0.000 2.867 647 V HA 0.092 4.212 4.120 -0.000 0.000 0.260 647 V C 0.867 176.632 176.094 -0.548 0.000 1.099 647 V CA 1.802 63.806 62.300 -0.493 0.000 1.122 647 V CB -0.871 30.333 31.823 -1.033 0.000 0.708 647 V HN 0.746 nan 8.190 nan 0.000 0.490 648 F N -0.277 119.631 119.950 -0.070 0.000 2.695 648 F HA 0.261 4.787 4.527 -0.000 0.000 0.303 648 F C 1.782 177.553 175.800 -0.048 0.000 1.091 648 F CA 0.100 58.042 58.000 -0.095 0.000 1.300 648 F CB -0.512 38.405 39.000 -0.137 0.000 1.071 648 F HN 0.208 nan 8.300 nan 0.000 0.578 649 N N 0.257 119.026 118.700 0.115 0.000 2.250 649 N HA -0.144 4.596 4.740 -0.000 0.000 0.181 649 N C 1.860 177.397 175.510 0.045 0.000 1.017 649 N CA 0.790 53.893 53.050 0.088 0.000 0.866 649 N CB -0.336 38.222 38.487 0.118 0.000 0.985 649 N HN 0.195 nan 8.380 nan 0.000 0.429 650 Q N 1.075 120.903 119.800 0.046 0.000 2.062 650 Q HA -0.104 4.236 4.340 -0.000 0.000 0.209 650 Q C 0.784 176.777 176.000 -0.011 0.000 0.996 650 Q CA 1.739 57.562 55.803 0.034 0.000 0.859 650 Q CB -0.265 28.478 28.738 0.009 0.000 0.920 650 Q HN 0.232 nan 8.270 nan 0.000 0.415 651 N N 0.137 118.838 118.700 0.002 0.000 2.398 651 N HA 0.039 4.779 4.740 -0.000 0.000 0.188 651 N C -0.902 174.697 175.510 0.148 0.000 1.122 651 N CA 0.634 53.712 53.050 0.046 0.000 0.866 651 N CB 0.531 39.025 38.487 0.012 0.000 0.970 651 N HN 0.276 nan 8.380 nan 0.000 0.462 652 D N -0.801 119.659 120.400 0.101 0.000 2.826 652 D HA 0.123 4.763 4.640 -0.000 0.000 0.239 652 D C -2.258 174.031 176.300 -0.018 0.000 1.329 652 D CA -1.096 53.017 54.000 0.187 0.000 0.854 652 D CB 1.140 42.170 40.800 0.383 0.000 1.494 652 D HN -0.047 nan 8.370 nan 0.000 0.540 653 P HA 0.001 nan 4.420 nan 0.000 0.233 653 P C 1.344 178.439 177.300 -0.340 0.000 1.167 653 P CA 0.341 63.195 63.100 -0.411 0.000 0.770 653 P CB 0.092 31.413 31.700 -0.632 0.000 0.837 654 W N 0.978 122.265 121.300 -0.022 0.000 2.453 654 W HA 0.216 4.876 4.660 -0.000 0.000 0.289 654 W C 0.959 177.464 176.519 -0.023 0.000 1.215 654 W CA 0.391 57.713 57.345 -0.038 0.000 1.297 654 W CB -0.701 28.738 29.460 -0.035 0.000 1.113 654 W HN -0.053 nan 8.180 nan 0.000 0.551 655 A N 1.769 124.734 122.820 0.243 0.000 2.654 655 A HA 0.487 4.807 4.320 -0.000 0.000 0.345 655 A C -2.520 175.122 177.584 0.096 0.000 1.368 655 A CA -1.289 50.834 52.037 0.144 0.000 0.895 655 A CB -0.240 18.855 19.000 0.158 0.000 1.143 655 A HN -0.256 nan 8.150 nan 0.000 0.490 656 P HA 0.194 nan 4.420 nan 0.000 0.271 656 P C 0.920 178.265 177.300 0.073 0.000 1.220 656 P CA 0.186 63.310 63.100 0.040 0.000 0.768 656 P CB 0.984 32.687 31.700 0.005 0.000 0.848 657 T N 0.630 115.240 114.554 0.093 0.000 2.951 657 T HA 0.053 4.402 4.350 -0.000 0.000 0.268 657 T C 0.711 175.528 174.700 0.195 0.000 1.073 657 T CA 0.994 63.160 62.100 0.111 0.000 1.134 657 T CB 0.014 68.954 68.868 0.120 0.000 0.884 657 T HN 0.194 nan 8.240 nan 0.000 0.479 658 V N 1.544 121.564 119.914 0.177 0.000 2.733 658 V HA 0.435 4.555 4.120 -0.000 0.000 0.306 658 V C -1.596 174.567 176.094 0.115 0.000 1.084 658 V CA -1.280 61.133 62.300 0.188 0.000 0.905 658 V CB 2.351 34.308 31.823 0.225 0.000 1.010 658 V HN 0.142 nan 8.190 nan 0.000 0.424 659 D N 2.921 123.371 120.400 0.084 0.000 2.505 659 D HA 0.241 4.881 4.640 -0.000 0.000 0.250 659 D C 0.384 176.636 176.300 -0.081 0.000 1.164 659 D CA -0.566 53.446 54.000 0.020 0.000 0.870 659 D CB 1.510 42.318 40.800 0.013 0.000 1.160 659 D HN 0.330 nan 8.370 nan 0.000 0.549 660 F N 3.696 123.466 119.950 -0.300 0.000 2.134 660 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 660 F C 2.157 177.675 175.800 -0.469 0.000 1.097 660 F CA 2.043 59.636 58.000 -0.678 0.000 1.264 660 F CB -0.199 38.513 39.000 -0.480 0.000 1.001 660 F HN 0.403 nan 8.300 nan 0.000 0.479 661 S N -0.531 115.015 115.700 -0.257 0.000 2.465 661 S HA -0.219 4.251 4.470 -0.000 0.000 0.241 661 S C 1.504 175.976 174.600 -0.212 0.000 1.000 661 S CA 1.298 59.365 58.200 -0.221 0.000 0.964 661 S CB -0.767 62.449 63.200 0.028 0.000 0.763 661 S HN 0.453 nan 8.310 nan 0.000 0.512 662 D N 1.115 121.429 120.400 -0.144 0.000 2.264 662 D HA 0.032 4.672 4.640 -0.000 0.000 0.208 662 D C 1.317 177.678 176.300 0.101 0.000 0.966 662 D CA 0.769 54.776 54.000 0.013 0.000 0.864 662 D CB -0.377 40.490 40.800 0.112 0.000 0.933 662 D HN 0.588 nan 8.370 nan 0.000 0.499 663 F N 0.228 119.960 119.950 -0.363 0.000 2.367 663 F HA 0.103 4.630 4.527 -0.000 0.000 0.298 663 F C 1.119 176.743 175.800 -0.293 0.000 1.094 663 F CA -0.179 57.623 58.000 -0.330 0.000 1.409 663 F CB 0.269 38.973 39.000 -0.494 0.000 1.064 663 F HN -0.216 nan 8.300 nan 0.000 0.528 664 I N 2.992 123.449 120.570 -0.189 0.000 2.294 664 I HA 0.018 4.188 4.170 -0.000 0.000 0.295 664 I C 0.023 176.086 176.117 -0.090 0.000 1.098 664 I CA 0.024 61.224 61.300 -0.167 0.000 1.277 664 I CB 0.132 37.971 38.000 -0.268 0.000 1.434 664 I HN 0.201 nan 8.210 nan 0.000 0.498 665 N N 5.212 123.878 118.700 -0.057 0.000 2.286 665 N HA 0.009 4.749 4.740 -0.000 0.000 0.245 665 N C 0.006 175.494 175.510 -0.036 0.000 1.363 665 N CA -0.441 52.585 53.050 -0.039 0.000 0.822 665 N CB -0.147 38.322 38.487 -0.030 0.000 1.345 665 N HN 0.520 nan 8.380 nan 0.000 0.494 666 N N 1.063 119.739 118.700 -0.041 0.000 2.726 666 N HA -0.185 4.555 4.740 -0.000 0.000 0.253 666 N C -1.296 174.191 175.510 -0.039 0.000 1.059 666 N CA 0.942 53.969 53.050 -0.038 0.000 0.701 666 N CB -0.919 37.550 38.487 -0.030 0.000 0.899 666 N HN 0.645 nan 8.380 nan 0.000 0.548 667 E N -0.886 119.288 120.200 -0.044 0.000 2.303 667 E HA 0.465 4.815 4.350 -0.000 0.000 0.254 667 E C 0.088 176.654 176.600 -0.056 0.000 0.979 667 E CA -0.924 55.447 56.400 -0.048 0.000 0.843 667 E CB 0.891 30.561 29.700 -0.051 0.000 1.245 667 E HN 0.199 nan 8.360 nan 0.000 0.413 668 T N 0.356 114.870 114.554 -0.066 0.000 2.904 668 T HA 0.361 4.711 4.350 -0.000 0.000 0.290 668 T C 0.498 175.135 174.700 -0.106 0.000 1.018 668 T CA -0.438 61.614 62.100 -0.081 0.000 1.075 668 T CB 0.198 69.016 68.868 -0.084 0.000 0.986 668 T HN 0.508 nan 8.240 nan 0.000 0.523 669 I N 0.917 121.414 120.570 -0.122 0.000 3.658 669 I HA 0.579 4.749 4.170 -0.000 0.000 0.328 669 I C 0.413 176.374 176.117 -0.259 0.000 1.567 669 I CA -0.933 60.274 61.300 -0.156 0.000 1.078 669 I CB 0.224 38.170 38.000 -0.090 0.000 1.267 669 I HN 0.465 nan 8.210 nan 0.000 0.495 670 A N 1.729 124.363 122.820 -0.308 0.000 2.391 670 A HA 0.647 4.967 4.320 -0.000 0.000 0.316 670 A C 1.172 178.116 177.584 -1.067 0.000 1.381 670 A CA 0.252 51.976 52.037 -0.521 0.000 0.998 670 A CB -0.594 18.369 19.000 -0.061 0.000 1.147 670 A HN 1.117 nan 8.150 nan 0.000 0.545 671 G N 2.084 109.545 108.800 -2.231 0.000 2.326 671 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.286 671 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.286 671 G C -0.163 174.220 174.900 -0.862 0.000 1.096 671 G CA 0.270 44.068 45.100 -2.170 0.000 1.003 671 G HN 0.663 nan 8.290 nan 0.000 0.503 672 K N -0.451 119.586 120.400 -0.605 0.000 2.433 672 K HA 0.409 4.729 4.320 -0.000 0.000 0.252 672 K C -0.741 175.735 176.600 -0.206 0.000 1.015 672 K CA -1.049 55.048 56.287 -0.317 0.000 0.860 672 K CB 1.492 33.844 32.500 -0.248 0.000 1.359 672 K HN 0.144 nan 8.250 nan 0.000 0.452 673 D N 2.298 122.616 120.400 -0.136 0.000 2.342 673 D HA 0.141 4.781 4.640 -0.000 0.000 0.260 673 D C -0.413 175.837 176.300 -0.084 0.000 1.278 673 D CA 0.179 54.125 54.000 -0.091 0.000 0.910 673 D CB -0.143 40.607 40.800 -0.084 0.000 1.079 673 D HN 0.274 nan 8.370 nan 0.000 0.496 674 L N 2.793 123.976 121.223 -0.067 0.000 2.358 674 L HA 0.637 4.977 4.340 -0.000 0.000 0.268 674 L C -0.083 176.740 176.870 -0.079 0.000 1.032 674 L CA -1.229 53.577 54.840 -0.058 0.000 0.805 674 L CB 1.886 43.923 42.059 -0.036 0.000 1.253 674 L HN 0.125 nan 8.230 nan 0.000 0.452 675 V N 0.909 120.756 119.914 -0.112 0.000 2.711 675 V HA 0.730 4.850 4.120 -0.000 0.000 0.304 675 V C -0.579 175.319 176.094 -0.327 0.000 1.097 675 V CA -0.323 61.817 62.300 -0.267 0.000 0.906 675 V CB 1.825 33.409 31.823 -0.399 0.000 1.015 675 V HN 0.857 nan 8.190 nan 0.000 0.427 676 A N 5.938 128.561 122.820 -0.328 0.000 2.304 676 A HA 0.829 5.148 4.320 -0.000 0.000 0.301 676 A C -1.311 176.043 177.584 -0.383 0.000 1.132 676 A CA -0.406 51.497 52.037 -0.223 0.000 0.819 676 A CB 0.632 19.544 19.000 -0.147 0.000 1.094 676 A HN 0.939 nan 8.150 nan 0.000 0.492 677 W N 1.518 122.815 121.300 -0.005 0.000 2.475 677 W HA 0.527 5.187 4.660 -0.000 0.000 0.320 677 W C -0.954 175.516 176.519 -0.081 0.000 1.022 677 W CA -0.559 56.723 57.345 -0.104 0.000 1.240 677 W CB 1.933 31.432 29.460 0.066 0.000 1.328 677 W HN 0.416 nan 8.180 nan 0.000 0.439 678 V N 3.337 123.245 119.914 -0.011 0.000 2.384 678 V HA 0.481 4.601 4.120 -0.000 0.000 0.287 678 V C 0.058 176.348 176.094 0.328 0.000 1.020 678 V CA -0.691 61.639 62.300 0.051 0.000 0.850 678 V CB 1.378 32.997 31.823 -0.341 0.000 0.987 678 V HN 0.493 nan 8.190 nan 0.000 0.436 679 T N 4.214 119.030 114.554 0.438 0.000 2.837 679 T HA 0.785 5.135 4.350 -0.000 0.000 0.285 679 T C 0.033 174.977 174.700 0.407 0.000 0.984 679 T CA -0.256 62.160 62.100 0.526 0.000 1.049 679 T CB 1.618 70.783 68.868 0.495 0.000 0.947 679 T HN 1.004 nan 8.240 nan 0.000 0.472 680 A N 1.595 124.695 122.820 0.467 0.000 2.539 680 A HA 1.029 5.349 4.320 -0.000 0.000 0.296 680 A C -0.075 177.769 177.584 0.434 0.000 1.073 680 A CA -0.331 51.938 52.037 0.386 0.000 0.700 680 A CB 1.840 21.077 19.000 0.395 0.000 1.296 680 A HN 1.352 nan 8.150 nan 0.000 0.405 681 G N -0.665 108.353 108.800 0.363 0.000 2.336 681 G HA2 0.621 4.581 3.960 -0.000 0.000 0.300 681 G HA3 0.621 4.581 3.960 -0.000 0.000 0.300 681 G C -1.032 174.117 174.900 0.415 0.000 1.375 681 G CA -0.007 45.326 45.100 0.388 0.000 0.885 681 G HN 1.968 nan 8.290 nan 0.000 0.599 682 F N -1.735 118.317 119.950 0.171 0.000 2.726 682 F HA 0.908 5.434 4.527 -0.000 0.000 0.324 682 F C -0.952 174.908 175.800 0.100 0.000 1.140 682 F CA -1.611 56.474 58.000 0.140 0.000 0.964 682 F CB 1.617 40.676 39.000 0.097 0.000 1.399 682 F HN 0.680 nan 8.300 nan 0.000 0.491 683 L N 1.097 122.465 121.223 0.241 0.000 2.325 683 L HA 0.538 4.878 4.340 -0.000 0.000 0.278 683 L C -1.408 175.550 176.870 0.146 0.000 1.023 683 L CA -0.263 54.629 54.840 0.086 0.000 0.811 683 L CB 1.505 43.594 42.059 0.050 0.000 1.249 683 L HN 0.837 nan 8.230 nan 0.000 0.431 684 H N 4.930 123.905 119.070 -0.159 0.000 2.906 684 H HA 0.502 5.058 4.556 -0.000 0.000 0.324 684 H C -1.185 174.019 175.328 -0.207 0.000 0.973 684 H CA -0.819 55.121 56.048 -0.179 0.000 1.321 684 H CB 1.086 30.610 29.762 -0.397 0.000 1.535 684 H HN 0.663 nan 8.280 nan 0.000 0.518 685 I N 8.140 128.832 120.570 0.203 0.000 2.307 685 I HA 0.218 4.388 4.170 -0.000 0.000 0.287 685 I C -2.223 174.089 176.117 0.325 0.000 1.054 685 I CA -2.013 59.374 61.300 0.146 0.000 1.218 685 I CB 1.062 39.097 38.000 0.058 0.000 1.398 685 I HN 0.454 nan 8.210 nan 0.000 0.475 686 P HA 0.070 nan 4.420 nan 0.000 0.269 686 P C -0.942 176.577 177.300 0.364 0.000 1.217 686 P CA 0.403 63.715 63.100 0.353 0.000 0.783 686 P CB 0.437 32.200 31.700 0.105 0.000 0.898 687 H N -1.202 117.944 119.070 0.127 0.000 2.990 687 H HA 0.481 5.037 4.556 -0.000 0.000 0.336 687 H C 0.390 175.755 175.328 0.061 0.000 1.306 687 H CA -0.926 55.166 56.048 0.073 0.000 1.118 687 H CB 0.451 30.242 29.762 0.049 0.000 1.856 687 H HN 0.345 nan 8.280 nan 0.000 0.538 688 A N 0.456 123.309 122.820 0.054 0.000 2.024 688 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 688 A C 1.250 178.786 177.584 -0.081 0.000 1.164 688 A CA 1.831 53.866 52.037 -0.003 0.000 0.643 688 A CB -0.686 18.335 19.000 0.035 0.000 0.806 688 A HN 0.689 nan 8.150 nan 0.000 0.451 689 E N 0.259 120.356 120.200 -0.172 0.000 2.463 689 E HA 0.037 4.387 4.350 -0.000 0.000 0.191 689 E C 0.242 176.693 176.600 -0.250 0.000 1.083 689 E CA 0.258 56.556 56.400 -0.170 0.000 0.872 689 E CB 0.118 29.769 29.700 -0.081 0.000 0.966 689 E HN 0.455 nan 8.360 nan 0.000 0.491 690 D N -0.276 119.951 120.400 -0.288 0.000 2.349 690 D HA 0.047 4.687 4.640 -0.000 0.000 0.214 690 D C -0.086 176.145 176.300 -0.116 0.000 1.063 690 D CA 0.162 54.050 54.000 -0.186 0.000 0.847 690 D CB 0.601 41.324 40.800 -0.128 0.000 0.933 690 D HN 0.096 nan 8.370 nan 0.000 0.513 691 I N 2.512 123.028 120.570 -0.091 0.000 2.339 691 I HA 0.162 4.332 4.170 -0.000 0.000 0.290 691 I C -1.294 174.791 176.117 -0.053 0.000 0.994 691 I CA -2.246 59.025 61.300 -0.048 0.000 1.191 691 I CB 1.412 39.411 38.000 -0.002 0.000 1.343 691 I HN -0.248 nan 8.210 nan 0.000 0.458 692 P HA 0.028 nan 4.420 nan 0.000 0.221 692 P C 0.093 177.172 177.300 -0.368 0.000 1.155 692 P CA 0.807 63.837 63.100 -0.116 0.000 0.812 692 P CB 0.698 32.352 31.700 -0.076 0.000 0.801 693 N N -0.746 117.759 118.700 -0.325 0.000 2.272 693 N HA 0.198 4.938 4.740 -0.000 0.000 0.305 693 N C -0.589 174.806 175.510 -0.193 0.000 1.103 693 N CA -0.323 52.516 53.050 -0.351 0.000 0.791 693 N CB 0.967 39.243 38.487 -0.351 0.000 1.356 693 N HN -0.240 nan 8.380 nan 0.000 0.486 694 T N 0.639 115.110 114.554 -0.139 0.000 2.908 694 T HA 0.195 4.545 4.350 -0.000 0.000 0.301 694 T C 0.559 175.202 174.700 -0.095 0.000 1.019 694 T CA -0.173 61.887 62.100 -0.067 0.000 1.152 694 T CB 0.041 68.934 68.868 0.042 0.000 0.966 694 T HN 0.208 nan 8.240 nan 0.000 0.540 695 V N 2.177 122.033 119.914 -0.097 0.000 2.834 695 V HA 0.463 4.583 4.120 -0.000 0.000 0.313 695 V C 1.615 177.648 176.094 -0.103 0.000 1.060 695 V CA -0.558 61.681 62.300 -0.102 0.000 0.989 695 V CB 1.108 32.875 31.823 -0.093 0.000 1.041 695 V HN 0.998 nan 8.190 nan 0.000 0.459 696 T N -1.089 113.401 114.554 -0.108 0.000 2.942 696 T HA -0.007 4.343 4.350 -0.000 0.000 0.265 696 T C 0.736 175.405 174.700 -0.052 0.000 1.062 696 T CA 0.501 62.552 62.100 -0.081 0.000 1.139 696 T CB -0.348 68.392 68.868 -0.213 0.000 0.883 696 T HN 0.498 nan 8.240 nan 0.000 0.468 697 V N 2.896 122.763 119.914 -0.080 0.000 2.621 697 V HA 0.311 4.431 4.120 -0.000 0.000 0.300 697 V C 1.882 177.908 176.094 -0.115 0.000 1.031 697 V CA 1.098 63.355 62.300 -0.073 0.000 1.210 697 V CB -0.980 30.798 31.823 -0.074 0.000 0.864 697 V HN 0.961 nan 8.190 nan 0.000 0.477 698 G N 4.020 112.758 108.800 -0.103 0.000 2.225 698 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.254 698 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.254 698 G C 0.532 175.262 174.900 -0.284 0.000 0.988 698 G CA 0.571 45.564 45.100 -0.180 0.000 0.625 698 G HN 0.726 nan 8.290 nan 0.000 0.527 699 N N 0.896 119.407 118.700 -0.315 0.000 2.280 699 N HA 0.341 5.081 4.740 -0.000 0.000 0.192 699 N C 1.278 176.473 175.510 -0.525 0.000 1.109 699 N CA 0.068 52.761 53.050 -0.596 0.000 0.855 699 N CB 0.411 38.498 38.487 -0.668 0.000 0.974 699 N HN 0.505 nan 8.380 nan 0.000 0.482 700 G N 1.660 110.246 108.800 -0.356 0.000 2.299 700 G HA2 0.306 4.266 3.960 -0.000 0.000 0.256 700 G HA3 0.306 4.266 3.960 -0.000 0.000 0.256 700 G C 0.117 174.759 174.900 -0.431 0.000 1.259 700 G CA -0.019 44.681 45.100 -0.667 0.000 0.943 700 G HN 0.047 nan 8.290 nan 0.000 0.479 701 V N 1.102 120.730 119.914 -0.478 0.000 3.040 701 V HA 1.070 5.190 4.120 -0.000 0.000 0.312 701 V C 0.500 176.466 176.094 -0.214 0.000 1.115 701 V CA 0.064 62.221 62.300 -0.238 0.000 0.998 701 V CB 1.408 33.211 31.823 -0.033 0.000 1.042 701 V HN 1.790 nan 8.190 nan 0.000 0.433 702 G N 1.651 110.335 108.800 -0.192 0.000 2.491 702 G HA2 0.536 4.496 3.960 -0.000 0.000 0.183 702 G HA3 0.536 4.496 3.960 -0.000 0.000 0.183 702 G C -1.306 173.444 174.900 -0.249 0.000 1.221 702 G CA 0.178 45.056 45.100 -0.369 0.000 0.996 702 G HN 2.166 nan 8.290 nan 0.000 0.474 703 F N -2.131 117.536 119.950 -0.471 0.000 2.773 703 F HA 0.835 5.362 4.527 -0.000 0.000 0.314 703 F C -1.788 173.702 175.800 -0.517 0.000 1.160 703 F CA -1.992 55.794 58.000 -0.357 0.000 0.920 703 F CB 0.930 39.785 39.000 -0.242 0.000 1.323 703 F HN 0.467 nan 8.300 nan 0.000 0.457 704 F N 1.995 121.973 119.950 0.047 0.000 2.469 704 F HA 0.687 5.214 4.527 -0.000 0.000 0.332 704 F C -0.455 175.423 175.800 0.129 0.000 1.103 704 F CA -0.841 57.148 58.000 -0.018 0.000 0.979 704 F CB 1.947 40.892 39.000 -0.092 0.000 1.137 704 F HN 0.327 nan 8.300 nan 0.000 0.463 705 L N 5.152 126.548 121.223 0.288 0.000 2.276 705 L HA 0.569 4.909 4.340 -0.000 0.000 0.286 705 L C -0.342 176.736 176.870 0.347 0.000 1.024 705 L CA -0.587 54.441 54.840 0.313 0.000 0.826 705 L CB 0.959 43.181 42.059 0.273 0.000 1.211 705 L HN 0.531 nan 8.230 nan 0.000 0.422 706 R N 3.633 124.247 120.500 0.190 0.000 2.561 706 R HA 0.464 4.804 4.340 -0.000 0.000 0.297 706 R C -2.652 173.360 176.300 -0.481 0.000 0.969 706 R CA -2.039 54.024 56.100 -0.060 0.000 0.879 706 R CB 2.547 32.800 30.300 -0.077 0.000 1.178 706 R HN 0.214 nan 8.270 nan 0.000 0.445 707 P HA -0.021 nan 4.420 nan 0.000 0.268 707 P C -1.180 175.979 177.300 -0.235 0.000 1.205 707 P CA 0.166 62.779 63.100 -0.811 0.000 0.771 707 P CB 0.278 31.846 31.700 -0.220 0.000 0.858 708 Y N 3.272 123.378 120.300 -0.323 0.000 2.484 708 Y HA 0.214 4.764 4.550 -0.000 0.000 0.348 708 Y C 0.119 175.909 175.900 -0.184 0.000 1.103 708 Y CA -0.468 57.477 58.100 -0.258 0.000 1.317 708 Y CB -0.118 38.089 38.460 -0.422 0.000 1.096 708 Y HN 0.414 nan 8.280 nan 0.000 0.568 709 N N 3.175 121.677 118.700 -0.329 0.000 2.714 709 N HA -0.329 4.410 4.740 -0.000 0.000 0.250 709 N C 0.731 176.231 175.510 -0.016 0.000 1.117 709 N CA 1.578 54.528 53.050 -0.167 0.000 0.719 709 N CB -1.549 36.771 38.487 -0.279 0.000 1.081 709 N HN 0.746 nan 8.380 nan 0.000 0.557 710 F N 0.236 120.096 119.950 -0.150 0.000 2.187 710 F HA 0.149 4.676 4.527 -0.000 0.000 0.295 710 F C 0.901 176.508 175.800 -0.323 0.000 1.091 710 F CA 0.787 58.654 58.000 -0.223 0.000 1.308 710 F CB 0.122 38.932 39.000 -0.315 0.000 1.030 710 F HN -0.034 nan 8.300 nan 0.000 0.487 711 F N 0.749 120.841 119.950 0.237 0.000 2.375 711 F HA 0.218 4.745 4.527 -0.000 0.000 0.317 711 F C 1.355 177.197 175.800 0.070 0.000 1.124 711 F CA -0.668 57.408 58.000 0.127 0.000 1.050 711 F CB 0.202 39.340 39.000 0.229 0.000 1.314 711 F HN -0.247 nan 8.300 nan 0.000 0.511 712 D N -0.624 119.947 120.400 0.285 0.000 2.333 712 D HA 0.036 4.676 4.640 -0.000 0.000 0.208 712 D C 0.024 176.553 176.300 0.381 0.000 0.984 712 D CA 0.725 54.854 54.000 0.216 0.000 0.873 712 D CB 0.180 40.989 40.800 0.014 0.000 0.935 712 D HN 0.608 nan 8.370 nan 0.000 0.521 713 E N -0.323 120.058 120.200 0.302 0.000 2.409 713 E HA 0.090 4.439 4.350 -0.000 0.000 0.280 713 E C -1.510 175.163 176.600 0.120 0.000 1.079 713 E CA -0.765 55.740 56.400 0.176 0.000 0.840 713 E CB 0.756 30.501 29.700 0.074 0.000 1.309 713 E HN -0.243 nan 8.360 nan 0.000 0.447 714 D N 1.857 122.278 120.400 0.036 0.000 2.502 714 D HA 0.044 4.684 4.640 -0.000 0.000 0.249 714 D C -1.533 174.781 176.300 0.023 0.000 1.188 714 D CA -1.347 52.650 54.000 -0.004 0.000 0.890 714 D CB 1.081 41.882 40.800 0.001 0.000 1.140 714 D HN 0.146 nan 8.370 nan 0.000 0.505 715 P HA -0.098 nan 4.420 nan 0.000 0.226 715 P C 1.144 178.547 177.300 0.172 0.000 1.153 715 P CA 0.747 63.888 63.100 0.068 0.000 0.777 715 P CB 0.046 31.670 31.700 -0.126 0.000 0.794 716 S N -1.436 114.321 115.700 0.095 0.000 2.481 716 S HA -0.150 4.320 4.470 -0.000 0.000 0.231 716 S C 1.783 176.405 174.600 0.038 0.000 0.996 716 S CA 0.143 58.394 58.200 0.086 0.000 0.942 716 S CB -1.556 61.686 63.200 0.070 0.000 0.768 716 S HN 0.023 nan 8.310 nan 0.000 0.520 717 F N 2.376 122.238 119.950 -0.145 0.000 2.154 717 F HA -0.086 4.441 4.527 -0.000 0.000 0.301 717 F C 1.051 176.620 175.800 -0.386 0.000 1.087 717 F CA 1.141 58.952 58.000 -0.315 0.000 1.274 717 F CB -0.546 38.154 39.000 -0.499 0.000 1.009 717 F HN 0.247 nan 8.300 nan 0.000 0.485 718 Y N 0.304 120.568 120.300 -0.060 0.000 2.547 718 Y HA 0.228 4.778 4.550 -0.000 0.000 0.325 718 Y C 1.088 176.924 175.900 -0.106 0.000 1.165 718 Y CA -0.063 57.959 58.100 -0.131 0.000 1.300 718 Y CB -1.012 37.450 38.460 0.004 0.000 1.126 718 Y HN -0.090 nan 8.280 nan 0.000 0.513 719 S N 0.235 115.915 115.700 -0.033 0.000 2.565 719 S HA 0.468 4.938 4.470 -0.000 0.000 0.276 719 S C 1.469 176.058 174.600 -0.018 0.000 1.326 719 S CA 0.029 58.230 58.200 0.002 0.000 1.045 719 S CB 1.054 64.261 63.200 0.011 0.000 0.918 719 S HN 0.503 nan 8.310 nan 0.000 0.505 720 A N 3.600 126.423 122.820 0.006 0.000 1.969 720 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 720 A C 1.358 178.953 177.584 0.017 0.000 1.169 720 A CA 1.419 53.459 52.037 0.006 0.000 0.635 720 A CB -0.386 18.621 19.000 0.011 0.000 0.810 720 A HN 0.855 nan 8.150 nan 0.000 0.445 721 D N 0.007 120.424 120.400 0.030 0.000 2.328 721 D HA 0.124 4.764 4.640 -0.000 0.000 0.226 721 D C 0.590 176.921 176.300 0.052 0.000 1.066 721 D CA 0.165 54.193 54.000 0.047 0.000 0.861 721 D CB -0.188 40.647 40.800 0.059 0.000 0.912 721 D HN 0.223 nan 8.370 nan 0.000 0.521 722 S N 0.148 115.861 115.700 0.022 0.000 2.549 722 S HA 0.101 4.571 4.470 -0.000 0.000 0.278 722 S C 0.204 174.842 174.600 0.063 0.000 1.344 722 S CA 0.205 58.411 58.200 0.010 0.000 1.025 722 S CB 0.365 63.522 63.200 -0.073 0.000 0.851 722 S HN 0.107 nan 8.310 nan 0.000 0.530 723 I N 2.782 123.409 120.570 0.095 0.000 2.656 723 I HA 0.415 4.585 4.170 -0.000 0.000 0.292 723 I C -1.427 174.802 176.117 0.187 0.000 1.144 723 I CA -0.671 60.739 61.300 0.183 0.000 1.038 723 I CB 2.064 40.227 38.000 0.271 0.000 1.244 723 I HN 0.719 nan 8.210 nan 0.000 0.420 724 Y N 7.636 127.970 120.300 0.058 0.000 2.544 724 Y HA 0.705 5.255 4.550 -0.000 0.000 0.342 724 Y C -1.745 174.213 175.900 0.097 0.000 1.062 724 Y CA -1.055 57.021 58.100 -0.041 0.000 1.023 724 Y CB 1.811 40.256 38.460 -0.025 0.000 1.308 724 Y HN 0.418 nan 8.280 nan 0.000 0.457 725 F N 1.957 121.577 119.950 -0.549 0.000 2.719 725 F HA 0.692 5.219 4.527 -0.000 0.000 0.309 725 F C -1.414 174.042 175.800 -0.574 0.000 1.138 725 F CA -1.461 56.256 58.000 -0.471 0.000 0.943 725 F CB 1.171 40.092 39.000 -0.132 0.000 1.304 725 F HN 0.460 nan 8.300 nan 0.000 0.445 726 R N 0.043 120.514 120.500 -0.048 0.000 2.607 726 R HA 0.566 4.906 4.340 -0.000 0.000 0.261 726 R C 1.234 177.617 176.300 0.138 0.000 1.051 726 R CA -0.248 55.873 56.100 0.036 0.000 1.110 726 R CB 1.453 31.809 30.300 0.094 0.000 1.158 726 R HN 1.055 nan 8.270 nan 0.000 0.543 727 G N 0.590 109.470 108.800 0.134 0.000 2.418 727 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 727 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 727 G C 0.641 175.561 174.900 0.034 0.000 1.158 727 G CA 1.089 46.225 45.100 0.060 0.000 0.771 727 G HN 0.789 nan 8.290 nan 0.000 0.545 728 D N -0.056 120.386 120.400 0.069 0.000 2.348 728 D HA 0.068 4.708 4.640 -0.000 0.000 0.248 728 D C 0.872 177.193 176.300 0.035 0.000 1.142 728 D CA 0.165 54.194 54.000 0.048 0.000 0.904 728 D CB -0.127 40.712 40.800 0.065 0.000 0.901 728 D HN 0.374 nan 8.370 nan 0.000 0.523 729 Q N -0.489 119.328 119.800 0.028 0.000 2.359 729 Q HA 0.286 4.626 4.340 -0.000 0.000 0.275 729 Q C -1.022 174.947 176.000 -0.053 0.000 1.082 729 Q CA -1.030 54.779 55.803 0.010 0.000 0.849 729 Q CB 1.393 30.159 28.738 0.047 0.000 1.377 729 Q HN -0.060 nan 8.270 nan 0.000 0.452 730 D N 0.509 120.871 120.400 -0.065 0.000 2.374 730 D HA 0.199 4.839 4.640 -0.000 0.000 0.240 730 D C 0.171 176.356 176.300 -0.193 0.000 1.229 730 D CA 0.024 53.958 54.000 -0.109 0.000 0.895 730 D CB 1.053 41.812 40.800 -0.069 0.000 1.046 730 D HN 0.653 nan 8.370 nan 0.000 0.498 731 A N 2.844 125.458 122.820 -0.342 0.000 2.168 731 A HA 0.095 4.415 4.320 -0.000 0.000 0.215 731 A C 1.719 179.017 177.584 -0.478 0.000 1.152 731 A CA 1.020 52.639 52.037 -0.696 0.000 0.716 731 A CB 0.133 18.477 19.000 -1.093 0.000 0.794 731 A HN 0.539 nan 8.150 nan 0.000 0.465 732 G N -1.317 107.321 108.800 -0.271 0.000 3.453 732 G HA2 0.464 4.424 3.960 -0.000 0.000 0.263 732 G HA3 0.464 4.424 3.960 -0.000 0.000 0.263 732 G C 0.365 175.204 174.900 -0.102 0.000 1.060 732 G CA 0.585 45.583 45.100 -0.170 0.000 0.793 732 G HN 0.656 nan 8.290 nan 0.000 0.532 733 A N -0.563 122.201 122.820 -0.093 0.000 2.328 733 A HA 0.443 4.763 4.320 -0.000 0.000 0.284 733 A C 1.378 178.947 177.584 -0.024 0.000 1.160 733 A CA -0.230 51.779 52.037 -0.047 0.000 0.818 733 A CB 0.720 19.698 19.000 -0.036 0.000 1.087 733 A HN 0.321 nan 8.150 nan 0.000 0.504 734 c N 1.666 120.262 118.600 -0.007 0.000 2.435 734 c HA -0.060 4.510 4.570 -0.000 0.000 0.279 734 c C 2.014 176.119 174.090 0.024 0.000 1.321 734 c CA 1.389 57.723 56.329 0.010 0.000 1.752 734 c CB -1.333 41.184 42.510 0.012 0.000 1.959 734 c HN 0.892 nan 8.230 nan 0.000 0.500 735 E N 0.209 120.423 120.200 0.022 0.000 2.472 735 E HA -0.088 4.262 4.350 -0.000 0.000 0.200 735 E C 1.727 178.358 176.600 0.050 0.000 1.046 735 E CA 1.023 57.443 56.400 0.033 0.000 0.871 735 E CB -0.019 29.697 29.700 0.028 0.000 0.806 735 E HN 0.649 nan 8.360 nan 0.000 0.533 736 V N 0.446 120.391 119.914 0.051 0.000 3.523 736 V HA 0.070 4.190 4.120 -0.000 0.000 0.255 736 V C 0.431 176.603 176.094 0.131 0.000 1.226 736 V CA 0.071 62.422 62.300 0.085 0.000 1.092 736 V CB 0.147 32.000 31.823 0.051 0.000 0.817 736 V HN 0.166 nan 8.190 nan 0.000 0.458 737 N N 0.133 118.890 118.700 0.095 0.000 2.599 737 N HA 0.283 5.023 4.740 -0.000 0.000 0.283 737 N C -2.597 172.964 175.510 0.085 0.000 1.160 737 N CA -1.349 51.777 53.050 0.127 0.000 0.869 737 N CB 2.375 40.904 38.487 0.071 0.000 1.448 737 N HN -0.136 nan 8.380 nan 0.000 0.535 738 P HA -0.016 nan 4.420 nan 0.000 0.221 738 P C 1.372 178.709 177.300 0.061 0.000 1.145 738 P CA 0.839 63.981 63.100 0.070 0.000 0.795 738 P CB 0.474 32.217 31.700 0.073 0.000 0.775 739 L N -1.310 119.956 121.223 0.072 0.000 2.217 739 L HA -0.018 4.322 4.340 -0.000 0.000 0.211 739 L C 1.816 178.705 176.870 0.032 0.000 1.107 739 L CA 0.701 55.575 54.840 0.057 0.000 0.783 739 L CB -0.881 41.222 42.059 0.073 0.000 0.919 739 L HN -0.084 nan 8.230 nan 0.000 0.442 740 A N -0.519 122.312 122.820 0.018 0.000 2.305 740 A HA 0.213 4.532 4.320 -0.000 0.000 0.236 740 A C 0.298 177.887 177.584 0.008 0.000 1.392 740 A CA -0.171 51.865 52.037 -0.002 0.000 1.205 740 A CB -1.299 17.685 19.000 -0.028 0.000 0.881 740 A HN 0.489 nan 8.150 nan 0.000 0.558 748 C N 0.427 119.718 119.300 -0.015 0.000 3.078 748 C HA 0.678 5.138 4.460 -0.000 0.000 0.320 748 C C 1.548 176.488 174.990 -0.082 0.000 1.039 748 C CA 0.038 59.030 59.018 -0.044 0.000 1.386 748 C CB -0.409 27.308 27.740 -0.038 0.000 1.836 748 C HN 1.625 nan 8.230 nan 0.000 0.514 749 A N 6.136 128.877 122.820 -0.132 0.000 1.953 749 A HA 0.039 4.359 4.320 -0.000 0.000 0.212 749 A C -1.574 175.856 177.584 -0.257 0.000 1.250 749 A CA 1.517 53.431 52.037 -0.205 0.000 0.726 749 A CB -1.758 17.012 19.000 -0.383 0.000 0.837 749 A HN 0.710 nan 8.150 nan 0.000 0.481 750 P HA 0.397 nan 4.420 nan 0.000 0.287 750 P C -1.830 175.398 177.300 -0.120 0.000 1.307 750 P CA -0.356 62.583 63.100 -0.267 0.000 0.777 750 P CB 0.680 32.146 31.700 -0.391 0.000 0.883 751 D N 3.640 124.024 120.400 -0.026 0.000 2.392 751 D HA 0.359 4.999 4.640 -0.000 0.000 0.228 751 D C -0.318 176.015 176.300 0.055 0.000 1.074 751 D CA -0.361 53.642 54.000 0.004 0.000 0.838 751 D CB 0.701 41.509 40.800 0.014 0.000 1.067 751 D HN 0.152 nan 8.370 nan 0.000 0.511 752 L N 2.214 123.477 121.223 0.067 0.000 2.322 752 L HA 0.493 4.833 4.340 -0.000 0.000 0.279 752 L C -1.847 175.134 176.870 0.186 0.000 1.036 752 L CA -2.114 52.823 54.840 0.161 0.000 0.807 752 L CB 0.740 42.889 42.059 0.149 0.000 1.226 752 L HN 0.168 nan 8.230 nan 0.000 0.433 753 P HA 0.040 nan 4.420 nan 0.000 0.263 753 P C -0.480 176.953 177.300 0.220 0.000 1.175 753 P CA -0.175 63.022 63.100 0.163 0.000 0.761 753 P CB 0.480 32.237 31.700 0.094 0.000 0.794 754 A N 3.847 126.760 122.820 0.155 0.000 2.488 754 A HA 0.160 4.479 4.320 -0.000 0.000 0.249 754 A C 0.075 177.787 177.584 0.214 0.000 1.083 754 A CA -0.367 51.780 52.037 0.184 0.000 0.768 754 A CB -0.640 18.434 19.000 0.123 0.000 1.017 754 A HN 0.597 nan 8.150 nan 0.000 0.496 755 F N 3.938 123.979 119.950 0.153 0.000 2.607 755 F HA 0.336 4.863 4.527 -0.000 0.000 0.374 755 F C 0.859 176.684 175.800 0.042 0.000 1.104 755 F CA 1.217 59.288 58.000 0.119 0.000 1.296 755 F CB 0.561 39.662 39.000 0.168 0.000 1.085 755 F HN 0.671 nan 8.300 nan 0.000 0.584 756 S N 5.354 120.657 115.700 -0.661 0.000 2.634 756 S HA 0.477 4.947 4.470 -0.000 0.000 0.296 756 S C -1.380 172.843 174.600 -0.628 0.000 1.104 756 S CA -0.808 57.140 58.200 -0.421 0.000 0.920 756 S CB 1.757 64.808 63.200 -0.247 0.000 1.111 756 S HN 0.903 nan 8.310 nan 0.000 0.493 757 H N -0.926 117.952 119.070 -0.320 0.000 2.679 757 H HA 0.421 4.977 4.556 -0.000 0.000 0.360 757 H C 1.143 176.370 175.328 -0.168 0.000 1.105 757 H CA -0.569 55.333 56.048 -0.244 0.000 1.196 757 H CB 1.828 31.572 29.762 -0.031 0.000 1.636 757 H HN 0.910 nan 8.280 nan 0.000 0.531 758 G N 2.502 110.984 108.800 -0.530 0.000 2.586 758 G HA2 0.190 4.150 3.960 -0.000 0.000 0.215 758 G HA3 0.190 4.150 3.960 -0.000 0.000 0.215 758 G C 0.801 175.400 174.900 -0.502 0.000 1.128 758 G CA 0.702 45.533 45.100 -0.447 0.000 0.774 758 G HN 1.043 nan 8.290 nan 0.000 0.543 759 G N -1.092 107.240 108.800 -0.781 0.000 2.645 759 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.239 759 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.239 759 G C -0.268 174.250 174.900 -0.635 0.000 1.331 759 G CA -0.194 44.641 45.100 -0.442 0.000 0.890 759 G HN 0.455 nan 8.290 nan 0.000 0.572 760 F N -0.169 119.767 119.950 -0.023 0.000 2.679 760 F HA 0.726 5.253 4.527 -0.000 0.000 0.341 760 F C 1.166 176.976 175.800 0.015 0.000 1.095 760 F CA -0.184 57.823 58.000 0.012 0.000 1.004 760 F CB 1.374 40.404 39.000 0.050 0.000 1.388 760 F HN 0.616 nan 8.300 nan 0.000 0.505 761 S N 0.000 115.830 115.700 0.217 0.000 2.498 761 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 761 S CA 0.000 58.269 58.200 0.115 0.000 1.107 761 S CB 0.000 63.245 63.200 0.076 0.000 0.593 761 S HN 0.000 nan 8.310 nan 0.000 0.517