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 1ovm_1_B DATA FIRST_RESID 3 DATA SEQUENCE TPYCVADYLL DRLTDCGADH LFGVPGDYNL QFLDHVIDSP DICWVGCANE DATA SEQUENCE LNASYAADGY ARCKGFAALL TTFGVGELSA MNGIAGSYAE HVPVLHIVGA DATA SEQUENCE PGTAAQQRGE LLHHTLGDGE FRHFYHMSEP ITVAQAVLTE QNACYEIDRV DATA SEQUENCE LTTMLRERRP GYLMLPADVA KKAATPPVNA LTHKQAHADS ACLKAFRDAA DATA SEQUENCE ENKLAMSKRT ALLADFLVLR HGLKHALQKW VKEVPMAHAT MLMGKGIFDE DATA SEQUENCE RQAGFYGTYS GSASTGAVKE AIEGADTVLC VGTRFTDTLT AGFTHQLTPA DATA SEQUENCE QTIEVQPHAA RVGDVWFTGI PMNQAIETLV ELCKQHVHAX XXXXXXXXXX DATA SEQUENCE XXXPDGSLTQ ENFWRTLQTF IRPGDIILAD QGTSAFGAID LRLPADVNFI DATA SEQUENCE VQPLWGSIGY TLAAAFGAQT ACPNRRVIVL TGDGAAQLTI QELGSMLRDK DATA SEQUENCE QHPIILVLNN EGYTVERAIH GAEQRYNDIA LWNWTHIPQA LSLDPQSECW DATA SEQUENCE RVSEAEQLAD VLEKVAHHER LSLIEVMLPK ADIPPLLGAL TKALEACNN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.752 174.700 0.086 0.000 1.109 3 T CA 0.000 62.120 62.100 0.033 0.000 1.349 3 T CB 0.000 68.862 68.868 -0.009 0.000 0.612 4 P HA 0.217 nan 4.420 nan 0.000 0.267 4 P C -0.434 176.967 177.300 0.167 0.000 1.200 4 P CA -0.372 62.800 63.100 0.121 0.000 0.772 4 P CB 0.258 32.012 31.700 0.091 0.000 0.855 5 Y N 2.683 123.023 120.300 0.066 0.000 2.721 5 Y HA 0.174 4.724 4.550 0.001 0.000 0.329 5 Y C 0.723 176.657 175.900 0.058 0.000 1.211 5 Y CA 0.070 58.214 58.100 0.073 0.000 1.512 5 Y CB -0.061 38.438 38.460 0.065 0.000 1.249 5 Y HN 0.622 nan 8.280 nan 0.000 0.549 6 C N 2.781 121.912 119.300 -0.282 0.000 3.259 6 C HA 0.528 4.988 4.460 0.001 0.000 0.328 6 C C 1.289 176.115 174.990 -0.273 0.000 1.425 6 C CA -0.621 58.284 59.018 -0.188 0.000 1.465 6 C CB 0.733 28.380 27.740 -0.155 0.000 1.890 6 C HN 0.678 nan 8.230 nan 0.000 0.450 7 V N 1.647 121.474 119.914 -0.144 0.000 2.317 7 V HA -0.252 3.868 4.120 0.001 0.000 0.251 7 V C 2.965 179.015 176.094 -0.073 0.000 1.065 7 V CA 3.162 65.404 62.300 -0.097 0.000 1.049 7 V CB -1.597 30.162 31.823 -0.108 0.000 0.651 7 V HN 1.129 nan 8.190 nan 0.000 0.450 8 A N -0.115 122.614 122.820 -0.153 0.000 1.917 8 A HA -0.293 4.027 4.320 0.001 0.000 0.219 8 A C 2.033 179.563 177.584 -0.090 0.000 1.182 8 A CA 2.209 54.231 52.037 -0.026 0.000 0.633 8 A CB -0.625 18.191 19.000 -0.306 0.000 0.819 8 A HN 0.615 nan 8.150 nan 0.000 0.448 9 D N -1.903 118.283 120.400 -0.356 0.000 2.117 9 D HA -0.140 4.501 4.640 0.001 0.000 0.198 9 D C 1.727 177.894 176.300 -0.221 0.000 0.982 9 D CA 1.499 55.265 54.000 -0.391 0.000 0.828 9 D CB -0.424 39.851 40.800 -0.875 0.000 0.967 9 D HN 0.609 nan 8.370 nan 0.000 0.464 10 Y N 1.645 121.758 120.300 -0.311 0.000 2.165 10 Y HA -0.225 4.326 4.550 0.001 0.000 0.286 10 Y C 2.221 178.154 175.900 0.055 0.000 1.155 10 Y CA 1.050 59.166 58.100 0.027 0.000 1.164 10 Y CB -0.345 38.158 38.460 0.071 0.000 0.978 10 Y HN -0.097 nan 8.280 nan 0.000 0.513 11 L N -0.293 121.094 121.223 0.274 0.000 1.994 11 L HA -0.210 4.130 4.340 0.001 0.000 0.208 11 L C 2.074 179.039 176.870 0.158 0.000 1.071 11 L CA 1.685 56.664 54.840 0.232 0.000 0.745 11 L CB -1.249 40.942 42.059 0.219 0.000 0.892 11 L HN 0.235 nan 8.230 nan 0.000 0.431 12 L N -0.147 121.165 121.223 0.149 0.000 2.013 12 L HA -0.256 4.084 4.340 0.001 0.000 0.212 12 L C 2.445 179.346 176.870 0.050 0.000 1.073 12 L CA 1.740 56.644 54.840 0.106 0.000 0.753 12 L CB -1.867 40.220 42.059 0.047 0.000 0.890 12 L HN 0.358 nan 8.230 nan 0.000 0.432 13 D N -0.721 119.688 120.400 0.015 0.000 2.123 13 D HA -0.175 4.465 4.640 0.001 0.000 0.196 13 D C 2.309 178.568 176.300 -0.067 0.000 0.992 13 D CA 0.810 54.796 54.000 -0.023 0.000 0.833 13 D CB 0.037 40.817 40.800 -0.033 0.000 0.954 13 D HN 0.156 nan 8.370 nan 0.000 0.455 14 R N 0.055 120.501 120.500 -0.090 0.000 2.115 14 R HA -0.031 4.309 4.340 0.001 0.000 0.230 14 R C 2.268 178.533 176.300 -0.057 0.000 1.111 14 R CA 0.147 56.198 56.100 -0.083 0.000 0.976 14 R CB -0.874 29.404 30.300 -0.037 0.000 0.870 14 R HN 0.231 nan 8.270 nan 0.000 0.445 15 L N 0.672 121.905 121.223 0.018 0.000 2.017 15 L HA -0.166 4.174 4.340 0.001 0.000 0.208 15 L C 2.560 179.425 176.870 -0.009 0.000 1.073 15 L CA 2.365 57.239 54.840 0.057 0.000 0.745 15 L CB -1.253 40.910 42.059 0.173 0.000 0.894 15 L HN 0.336 nan 8.230 nan 0.000 0.432 16 T N -4.257 110.303 114.554 0.010 0.000 2.746 16 T HA -0.191 4.159 4.350 0.001 0.000 0.267 16 T C 1.660 176.342 174.700 -0.029 0.000 1.039 16 T CA 1.335 63.442 62.100 0.011 0.000 1.142 16 T CB -0.532 68.343 68.868 0.012 0.000 0.866 16 T HN 0.200 nan 8.240 nan 0.000 0.444 17 D N 0.805 121.167 120.400 -0.063 0.000 2.149 17 D HA -0.049 4.591 4.640 0.001 0.000 0.198 17 D C 2.012 178.257 176.300 -0.092 0.000 0.990 17 D CA 0.863 54.819 54.000 -0.073 0.000 0.839 17 D CB -0.721 40.023 40.800 -0.093 0.000 0.948 17 D HN 0.496 nan 8.370 nan 0.000 0.460 18 C N -0.708 118.449 119.300 -0.237 0.000 2.522 18 C HA 0.369 4.829 4.460 0.001 0.000 0.271 18 C C 1.855 176.661 174.990 -0.307 0.000 1.425 18 C CA 0.544 59.280 59.018 -0.470 0.000 1.751 18 C CB -0.759 26.175 27.740 -1.344 0.000 1.775 18 C HN 0.585 nan 8.230 nan 0.000 0.557 19 G N -0.275 108.480 108.800 -0.075 0.000 2.168 19 G HA2 0.058 4.018 3.960 0.001 0.000 0.197 19 G HA3 0.058 4.018 3.960 0.001 0.000 0.197 19 G C -0.026 175.025 174.900 0.252 0.000 0.997 19 G CA 0.030 45.185 45.100 0.093 0.000 0.658 19 G HN 0.841 nan 8.290 nan 0.000 0.513 20 A N 0.105 123.101 122.820 0.292 0.000 2.301 20 A HA 0.700 5.021 4.320 0.001 0.000 0.312 20 A C 0.532 178.282 177.584 0.277 0.000 1.182 20 A CA 0.103 52.400 52.037 0.434 0.000 0.826 20 A CB 0.718 20.011 19.000 0.488 0.000 1.134 20 A HN 0.087 nan 8.150 nan 0.000 0.501 21 D N 0.095 120.707 120.400 0.353 0.000 2.469 21 D HA 0.152 4.792 4.640 0.001 0.000 0.213 21 D C -0.559 175.630 176.300 -0.185 0.000 1.135 21 D CA 0.757 54.826 54.000 0.114 0.000 0.834 21 D CB 0.354 41.235 40.800 0.135 0.000 1.009 21 D HN 0.708 nan 8.370 nan 0.000 0.507 22 H N -0.386 118.637 119.070 -0.077 0.000 2.928 22 H HA 0.589 5.146 4.556 0.001 0.000 0.371 22 H C -1.269 173.789 175.328 -0.449 0.000 1.186 22 H CA -0.760 55.071 56.048 -0.360 0.000 1.134 22 H CB 2.256 31.623 29.762 -0.659 0.000 1.824 22 H HN -0.162 nan 8.280 nan 0.000 0.554 23 L N 2.185 123.213 121.223 -0.326 0.000 2.406 23 L HA 0.505 4.845 4.340 0.001 0.000 0.272 23 L C -1.778 174.821 176.870 -0.451 0.000 0.980 23 L CA -0.352 54.391 54.840 -0.162 0.000 0.831 23 L CB 0.364 42.542 42.059 0.198 0.000 1.253 23 L HN 0.457 nan 8.230 nan 0.000 0.406 24 F N 3.328 123.163 119.950 -0.193 0.000 2.403 24 F HA 0.922 5.449 4.527 0.000 0.000 0.326 24 F C 1.104 176.777 175.800 -0.212 0.000 1.081 24 F CA 0.452 58.259 58.000 -0.321 0.000 1.041 24 F CB 1.906 40.783 39.000 -0.205 0.000 1.234 24 F HN 0.689 nan 8.300 nan 0.000 0.503 25 G N -0.267 108.484 108.800 -0.081 0.000 2.356 25 G HA2 0.411 4.371 3.960 0.001 0.000 0.288 25 G HA3 0.411 4.371 3.960 0.001 0.000 0.288 25 G C -2.257 172.822 174.900 0.298 0.000 1.302 25 G CA -0.285 44.930 45.100 0.191 0.000 0.887 25 G HN 1.210 nan 8.290 nan 0.000 0.521 26 V N -0.541 119.638 119.914 0.441 0.000 2.686 26 V HA 0.898 5.018 4.120 0.001 0.000 0.306 26 V C -2.372 173.939 176.094 0.361 0.000 1.065 26 V CA -1.456 61.087 62.300 0.406 0.000 0.894 26 V CB 2.228 34.176 31.823 0.208 0.000 1.004 26 V HN 0.946 nan 8.190 nan 0.000 0.424 27 P HA 0.477 nan 4.420 nan 0.000 0.270 27 P C 0.036 177.406 177.300 0.117 0.000 1.227 27 P CA 0.577 63.748 63.100 0.120 0.000 0.788 27 P CB 1.004 32.730 31.700 0.043 0.000 0.926 28 G N -0.334 108.521 108.800 0.092 0.000 2.655 28 G HA2 0.206 4.167 3.960 0.001 0.000 0.296 28 G HA3 0.206 4.167 3.960 0.001 0.000 0.296 28 G C 0.221 175.162 174.900 0.068 0.000 1.485 28 G CA -0.102 45.061 45.100 0.105 0.000 0.869 28 G HN 0.465 nan 8.290 nan 0.000 0.540 29 D N 0.269 120.672 120.400 0.004 0.000 2.248 29 D HA -0.289 4.351 4.640 0.001 0.000 0.189 29 D C 1.431 177.691 176.300 -0.067 0.000 1.011 29 D CA 2.199 56.132 54.000 -0.111 0.000 0.868 29 D CB -0.118 40.526 40.800 -0.260 0.000 0.931 29 D HN 0.413 nan 8.370 nan 0.000 0.449 30 Y N -0.261 120.141 120.300 0.170 0.000 2.632 30 Y HA 0.089 4.639 4.550 0.000 0.000 0.301 30 Y C 1.329 177.276 175.900 0.079 0.000 1.172 30 Y CA 1.040 59.204 58.100 0.106 0.000 1.328 30 Y CB -0.629 37.896 38.460 0.108 0.000 1.016 30 Y HN 0.291 nan 8.280 nan 0.000 0.529 31 N N -2.433 116.389 118.700 0.204 0.000 2.143 31 N HA 0.037 4.777 4.740 0.001 0.000 0.222 31 N C 0.840 176.435 175.510 0.142 0.000 1.264 31 N CA 0.124 53.283 53.050 0.182 0.000 0.897 31 N CB -0.593 38.001 38.487 0.179 0.000 1.092 31 N HN 0.000 nan 8.380 nan 0.000 0.516 32 L N 1.120 122.387 121.223 0.073 0.000 1.989 32 L HA -0.086 4.254 4.340 0.001 0.000 0.211 32 L C 2.424 179.301 176.870 0.011 0.000 1.071 32 L CA 1.821 56.662 54.840 0.002 0.000 0.749 32 L CB -1.080 40.975 42.059 -0.008 0.000 0.890 32 L HN 0.319 nan 8.230 nan 0.000 0.431 33 Q N -1.728 118.112 119.800 0.067 0.000 2.084 33 Q HA -0.246 4.095 4.340 0.001 0.000 0.202 33 Q C 2.304 178.402 176.000 0.162 0.000 0.978 33 Q CA 1.695 57.549 55.803 0.085 0.000 0.844 33 Q CB -0.517 28.284 28.738 0.105 0.000 0.898 33 Q HN 0.462 nan 8.270 nan 0.000 0.426 34 F N 1.424 121.404 119.950 0.050 0.000 2.171 34 F HA -0.195 4.332 4.527 0.001 0.000 0.300 34 F C 1.877 177.697 175.800 0.033 0.000 1.090 34 F CA 0.677 58.712 58.000 0.059 0.000 1.293 34 F CB -0.191 38.809 39.000 -0.001 0.000 1.013 34 F HN -0.009 nan 8.300 nan 0.000 0.486 35 L N 0.824 121.956 121.223 -0.152 0.000 2.079 35 L HA -0.242 4.099 4.340 0.001 0.000 0.210 35 L C 2.082 178.742 176.870 -0.350 0.000 1.081 35 L CA 1.681 56.299 54.840 -0.370 0.000 0.752 35 L CB -1.440 40.390 42.059 -0.381 0.000 0.896 35 L HN 0.151 nan 8.230 nan 0.000 0.433 36 D N -1.466 118.790 120.400 -0.240 0.000 2.116 36 D HA -0.217 4.424 4.640 0.001 0.000 0.193 36 D C 2.095 178.204 176.300 -0.318 0.000 0.998 36 D CA 1.295 55.139 54.000 -0.260 0.000 0.836 36 D CB -0.179 40.463 40.800 -0.263 0.000 0.951 36 D HN 0.468 nan 8.370 nan 0.000 0.449 37 H N 0.018 118.912 119.070 -0.293 0.000 2.387 37 H HA -0.085 4.471 4.556 0.000 0.000 0.299 37 H C 2.354 177.496 175.328 -0.311 0.000 1.099 37 H CA 1.284 57.156 56.048 -0.293 0.000 1.315 37 H CB -0.286 29.273 29.762 -0.338 0.000 1.380 37 H HN 0.089 nan 8.280 nan 0.000 0.513 38 V N 0.632 120.354 119.914 -0.320 0.000 2.548 38 V HA -0.130 3.990 4.120 0.001 0.000 0.249 38 V C 2.211 178.229 176.094 -0.127 0.000 1.055 38 V CA 1.180 63.343 62.300 -0.229 0.000 1.065 38 V CB -0.590 31.084 31.823 -0.249 0.000 0.681 38 V HN 0.261 nan 8.190 nan 0.000 0.462 39 I N 0.404 120.879 120.570 -0.158 0.000 2.439 39 I HA -0.105 4.065 4.170 0.001 0.000 0.251 39 I C 2.060 178.125 176.117 -0.087 0.000 1.139 39 I CA 1.708 62.948 61.300 -0.099 0.000 1.438 39 I CB -0.379 37.546 38.000 -0.124 0.000 1.085 39 I HN 0.349 nan 8.210 nan 0.000 0.427 40 D N 0.237 120.566 120.400 -0.118 0.000 2.323 40 D HA -0.030 4.610 4.640 0.001 0.000 0.209 40 D C 1.148 177.413 176.300 -0.058 0.000 0.973 40 D CA 0.377 54.321 54.000 -0.094 0.000 0.874 40 D CB 0.095 40.814 40.800 -0.134 0.000 0.930 40 D HN 0.081 nan 8.370 nan 0.000 0.521 41 S N 1.649 117.315 115.700 -0.056 0.000 2.549 41 S HA 0.097 4.567 4.470 0.001 0.000 0.283 41 S C -1.484 173.100 174.600 -0.027 0.000 1.320 41 S CA -1.073 57.110 58.200 -0.029 0.000 1.058 41 S CB 1.361 64.543 63.200 -0.031 0.000 0.882 41 S HN -0.044 nan 8.310 nan 0.000 0.498 42 P HA 0.199 nan 4.420 nan 0.000 0.251 42 P C -0.065 177.221 177.300 -0.023 0.000 1.223 42 P CA 0.301 63.391 63.100 -0.017 0.000 0.796 42 P CB 0.284 31.980 31.700 -0.006 0.000 1.068 43 D N -0.628 119.759 120.400 -0.021 0.000 2.423 43 D HA 0.130 4.771 4.640 0.001 0.000 0.208 43 D C 0.606 176.877 176.300 -0.048 0.000 1.068 43 D CA 0.373 54.358 54.000 -0.024 0.000 0.860 43 D CB 1.052 41.850 40.800 -0.003 0.000 0.992 43 D HN 0.163 nan 8.370 nan 0.000 0.504 44 I N 1.334 121.872 120.570 -0.053 0.000 2.406 44 I HA 0.162 4.332 4.170 0.001 0.000 0.290 44 I C -0.193 175.862 176.117 -0.103 0.000 0.999 44 I CA -0.798 60.457 61.300 -0.075 0.000 1.124 44 I CB 1.759 39.751 38.000 -0.013 0.000 1.289 44 I HN -0.083 nan 8.210 nan 0.000 0.441 45 C N 7.758 126.926 119.300 -0.220 0.000 2.295 45 C HA 0.420 4.881 4.460 0.001 0.000 0.331 45 C C 0.077 175.031 174.990 -0.060 0.000 1.280 45 C CA -0.578 58.333 59.018 -0.179 0.000 1.746 45 C CB 0.389 27.894 27.740 -0.391 0.000 2.328 45 C HN 0.877 nan 8.230 nan 0.000 0.521 46 W N 6.822 128.046 121.300 -0.127 0.000 2.287 46 W HA 0.573 5.234 4.660 0.001 0.000 0.313 46 W C -1.551 174.924 176.519 -0.073 0.000 1.267 46 W CA -0.395 56.892 57.345 -0.098 0.000 1.201 46 W CB 1.217 30.642 29.460 -0.057 0.000 1.196 46 W HN 0.529 nan 8.180 nan 0.000 0.536 47 V N 6.794 126.050 119.914 -1.098 0.000 2.340 47 V HA 0.310 4.431 4.120 0.001 0.000 0.277 47 V C 0.748 176.158 176.094 -1.140 0.000 1.017 47 V CA -0.733 61.046 62.300 -0.868 0.000 0.820 47 V CB 0.587 31.997 31.823 -0.688 0.000 1.028 47 V HN 0.701 nan 8.190 nan 0.000 0.436 48 G N 2.560 110.818 108.800 -0.902 0.000 2.432 48 G HA2 0.439 4.400 3.960 0.001 0.000 0.257 48 G HA3 0.439 4.400 3.960 0.001 0.000 0.257 48 G C -0.123 174.739 174.900 -0.063 0.000 1.238 48 G CA -0.060 44.830 45.100 -0.349 0.000 0.838 48 G HN 0.737 nan 8.290 nan 0.000 0.547 49 C N 0.630 119.935 119.300 0.008 0.000 2.668 49 C HA 0.691 5.151 4.460 0.001 0.000 0.355 49 C C 1.961 176.958 174.990 0.011 0.000 1.277 49 C CA 0.264 59.293 59.018 0.018 0.000 1.787 49 C CB 1.528 29.300 27.740 0.054 0.000 2.233 49 C HN 0.909 nan 8.230 nan 0.000 0.495 50 A N 0.959 123.758 122.820 -0.036 0.000 1.930 50 A HA 0.048 4.368 4.320 0.001 0.000 0.217 50 A C 0.545 178.133 177.584 0.006 0.000 1.175 50 A CA 1.939 53.965 52.037 -0.019 0.000 0.627 50 A CB -0.553 18.419 19.000 -0.046 0.000 0.815 50 A HN 1.041 nan 8.150 nan 0.000 0.443 51 N N -3.378 115.323 118.700 0.002 0.000 2.708 51 N HA 0.381 5.121 4.740 0.001 0.000 0.257 51 N C -0.472 175.033 175.510 -0.009 0.000 1.373 51 N CA -0.409 52.644 53.050 0.005 0.000 0.843 51 N CB 0.504 38.990 38.487 -0.003 0.000 1.503 51 N HN -0.145 nan 8.380 nan 0.000 0.504 52 E N -0.029 120.162 120.200 -0.014 0.000 2.150 52 E HA -0.011 4.340 4.350 0.001 0.000 0.193 52 E C 1.279 177.806 176.600 -0.122 0.000 0.985 52 E CA 0.586 56.963 56.400 -0.037 0.000 0.814 52 E CB -0.079 29.607 29.700 -0.023 0.000 0.752 52 E HN 0.544 nan 8.360 nan 0.000 0.466 53 L N 0.929 122.060 121.223 -0.154 0.000 1.994 53 L HA -0.237 4.103 4.340 0.001 0.000 0.208 53 L C 1.598 178.220 176.870 -0.414 0.000 1.071 53 L CA 1.833 56.484 54.840 -0.315 0.000 0.745 53 L CB -0.425 41.481 42.059 -0.254 0.000 0.892 53 L HN 0.258 nan 8.230 nan 0.000 0.431 54 N N -0.352 118.241 118.700 -0.177 0.000 2.104 54 N HA -0.194 4.547 4.740 0.001 0.000 0.190 54 N C 1.864 177.337 175.510 -0.062 0.000 1.024 54 N CA 1.157 54.182 53.050 -0.041 0.000 0.853 54 N CB -0.120 38.370 38.487 0.005 0.000 1.008 54 N HN 0.436 nan 8.380 nan 0.000 0.424 55 A N 1.331 124.105 122.820 -0.077 0.000 1.883 55 A HA -0.221 4.099 4.320 0.001 0.000 0.217 55 A C 2.396 179.878 177.584 -0.171 0.000 1.186 55 A CA 2.173 54.167 52.037 -0.071 0.000 0.624 55 A CB -0.895 18.107 19.000 0.003 0.000 0.822 55 A HN 0.460 nan 8.150 nan 0.000 0.444 56 S N -1.424 114.162 115.700 -0.190 0.000 2.382 56 S HA -0.198 4.272 4.470 0.001 0.000 0.228 56 S C 1.915 176.462 174.600 -0.088 0.000 1.027 56 S CA 1.519 59.602 58.200 -0.195 0.000 0.991 56 S CB -0.788 62.258 63.200 -0.257 0.000 0.823 56 S HN 0.503 nan 8.310 nan 0.000 0.469 57 Y N 2.453 122.694 120.300 -0.098 0.000 2.181 57 Y HA 0.163 4.713 4.550 0.001 0.000 0.288 57 Y C 3.078 178.817 175.900 -0.268 0.000 1.146 57 Y CA -0.047 57.989 58.100 -0.106 0.000 1.164 57 Y CB -1.408 36.968 38.460 -0.139 0.000 0.982 57 Y HN 0.394 nan 8.280 nan 0.000 0.515 58 A N 0.033 122.742 122.820 -0.185 0.000 1.902 58 A HA -0.126 4.194 4.320 0.001 0.000 0.217 58 A C 2.518 179.654 177.584 -0.748 0.000 1.181 58 A CA 2.003 53.749 52.037 -0.486 0.000 0.623 58 A CB -1.197 17.435 19.000 -0.613 0.000 0.818 58 A HN 0.382 nan 8.150 nan 0.000 0.443 59 A N -0.363 122.031 122.820 -0.711 0.000 1.933 59 A HA -0.215 4.105 4.320 0.001 0.000 0.218 59 A C 1.969 179.484 177.584 -0.115 0.000 1.175 59 A CA 1.881 53.667 52.037 -0.419 0.000 0.628 59 A CB -0.576 18.310 19.000 -0.189 0.000 0.814 59 A HN 0.582 nan 8.150 nan 0.000 0.444 60 D N -0.294 120.075 120.400 -0.052 0.000 2.097 60 D HA -0.112 4.528 4.640 0.001 0.000 0.195 60 D C 2.095 178.444 176.300 0.082 0.000 0.989 60 D CA 1.657 55.702 54.000 0.076 0.000 0.827 60 D CB -0.392 40.562 40.800 0.257 0.000 0.966 60 D HN 0.340 nan 8.370 nan 0.000 0.456 61 G N -0.617 108.183 108.800 -0.000 0.000 2.418 61 G HA2 -0.318 3.643 3.960 0.001 0.000 0.217 61 G HA3 -0.318 3.643 3.960 0.001 0.000 0.217 61 G C 1.640 176.551 174.900 0.020 0.000 1.158 61 G CA 0.919 46.004 45.100 -0.025 0.000 0.771 61 G HN 0.363 nan 8.290 nan 0.000 0.545 62 Y N 1.965 122.191 120.300 -0.123 0.000 2.128 62 Y HA -0.065 4.486 4.550 0.001 0.000 0.284 62 Y C 2.957 178.864 175.900 0.012 0.000 1.154 62 Y CA 1.672 59.751 58.100 -0.034 0.000 1.149 62 Y CB -0.401 38.104 38.460 0.076 0.000 0.976 62 Y HN 0.245 nan 8.280 nan 0.000 0.505 63 A N 0.425 123.400 122.820 0.258 0.000 2.019 63 A HA -0.183 4.138 4.320 0.001 0.000 0.219 63 A C 2.187 179.813 177.584 0.071 0.000 1.164 63 A CA 1.597 53.729 52.037 0.159 0.000 0.644 63 A CB -0.574 18.467 19.000 0.069 0.000 0.805 63 A HN 0.546 nan 8.150 nan 0.000 0.449 64 R N -1.462 119.070 120.500 0.053 0.000 2.307 64 R HA -0.001 4.339 4.340 0.001 0.000 0.199 64 R C 1.378 177.675 176.300 -0.005 0.000 1.000 64 R CA 0.947 57.069 56.100 0.036 0.000 1.023 64 R CB -0.353 29.980 30.300 0.056 0.000 0.908 64 R HN 0.630 nan 8.270 nan 0.000 0.473 65 C N -0.599 118.671 119.300 -0.051 0.000 2.464 65 C HA 0.164 4.624 4.460 0.001 0.000 0.348 65 C C 1.749 176.671 174.990 -0.113 0.000 1.367 65 C CA 0.085 59.042 59.018 -0.102 0.000 2.012 65 C CB 0.171 27.806 27.740 -0.174 0.000 2.434 65 C HN 0.338 nan 8.230 nan 0.000 0.536 66 K N 0.491 120.811 120.400 -0.134 0.000 2.358 66 K HA 0.282 4.602 4.320 0.001 0.000 0.200 66 K C 1.315 177.947 176.600 0.054 0.000 1.030 66 K CA 0.788 57.033 56.287 -0.070 0.000 1.097 66 K CB 0.476 32.885 32.500 -0.150 0.000 0.862 66 K HN 0.461 nan 8.250 nan 0.000 0.534 67 G N 1.742 110.582 108.800 0.067 0.000 2.179 67 G HA2 -0.306 3.655 3.960 0.001 0.000 0.260 67 G HA3 -0.306 3.655 3.960 0.001 0.000 0.260 67 G C -0.131 174.909 174.900 0.234 0.000 0.977 67 G CA 0.345 45.504 45.100 0.098 0.000 0.641 67 G HN 0.336 nan 8.290 nan 0.000 0.533 68 F N -0.136 119.881 119.950 0.112 0.000 2.708 68 F HA 0.646 5.173 4.527 0.000 0.000 0.309 68 F C -0.685 175.281 175.800 0.276 0.000 1.120 68 F CA 0.191 58.282 58.000 0.152 0.000 0.978 68 F CB 1.053 40.127 39.000 0.122 0.000 1.283 68 F HN 0.890 nan 8.300 nan 0.000 0.439 69 A N 2.593 125.186 122.820 -0.377 0.000 2.609 69 A HA 0.993 5.314 4.320 0.001 0.000 0.291 69 A C -2.011 175.433 177.584 -0.234 0.000 1.096 69 A CA -0.261 51.738 52.037 -0.063 0.000 0.684 69 A CB 1.383 20.425 19.000 0.069 0.000 1.282 69 A HN 1.800 nan 8.150 nan 0.000 0.412 70 A N -0.027 122.799 122.820 0.010 0.000 2.449 70 A HA 0.775 5.096 4.320 0.001 0.000 0.302 70 A C -1.490 176.175 177.584 0.136 0.000 1.048 70 A CA -0.409 51.677 52.037 0.081 0.000 0.708 70 A CB 1.409 20.531 19.000 0.204 0.000 1.274 70 A HN 2.079 nan 8.150 nan 0.000 0.410 71 L N 2.523 123.825 121.223 0.131 0.000 2.365 71 L HA 0.753 5.093 4.340 0.001 0.000 0.273 71 L C -1.488 175.529 176.870 0.246 0.000 1.000 71 L CA -0.565 54.365 54.840 0.151 0.000 0.819 71 L CB 1.754 43.804 42.059 -0.015 0.000 1.284 71 L HN 0.696 nan 8.230 nan 0.000 0.418 72 L N 5.359 126.766 121.223 0.306 0.000 2.343 72 L HA 0.696 5.036 4.340 0.001 0.000 0.278 72 L C -0.769 176.298 176.870 0.328 0.000 0.996 72 L CA 0.128 55.175 54.840 0.345 0.000 0.831 72 L CB 1.428 43.781 42.059 0.489 0.000 1.232 72 L HN 0.970 nan 8.230 nan 0.000 0.413 73 T N 0.656 115.372 114.554 0.270 0.000 2.858 73 T HA 0.492 4.843 4.350 0.001 0.000 0.285 73 T C -0.197 174.607 174.700 0.174 0.000 1.052 73 T CA -0.573 61.668 62.100 0.234 0.000 1.009 73 T CB 2.073 71.108 68.868 0.279 0.000 1.241 73 T HN 0.507 nan 8.240 nan 0.000 0.542 74 T N 0.328 114.976 114.554 0.155 0.000 2.895 74 T HA 0.529 4.879 4.350 0.001 0.000 0.283 74 T C -0.597 174.221 174.700 0.196 0.000 1.014 74 T CA -0.739 61.484 62.100 0.206 0.000 1.037 74 T CB 0.138 69.127 68.868 0.202 0.000 1.006 74 T HN 0.526 nan 8.240 nan 0.000 0.468 75 F N 3.871 123.922 119.950 0.167 0.000 2.623 75 F HA 0.274 4.801 4.527 0.001 0.000 0.381 75 F C 1.528 177.334 175.800 0.011 0.000 1.081 75 F CA 2.035 60.118 58.000 0.137 0.000 1.293 75 F CB -0.246 38.855 39.000 0.167 0.000 1.006 75 F HN 0.965 nan 8.300 nan 0.000 0.578 76 G N 3.864 112.191 108.800 -0.788 0.000 3.729 76 G HA2 -0.409 3.552 3.960 0.001 0.000 0.327 76 G HA3 -0.409 3.552 3.960 0.001 0.000 0.327 76 G C 1.144 175.653 174.900 -0.651 0.000 1.293 76 G CA 1.546 45.977 45.100 -1.114 0.000 1.011 76 G HN 1.632 nan 8.290 nan 0.000 0.673 77 V N -0.038 119.613 119.914 -0.437 0.000 2.392 77 V HA 0.171 4.291 4.120 0.001 0.000 0.249 77 V C 2.733 178.701 176.094 -0.211 0.000 1.059 77 V CA 2.889 65.002 62.300 -0.312 0.000 1.051 77 V CB -1.479 30.140 31.823 -0.341 0.000 0.658 77 V HN 1.615 nan 8.190 nan 0.000 0.455 78 G N 1.387 110.084 108.800 -0.171 0.000 2.425 78 G HA2 -0.171 3.789 3.960 0.001 0.000 0.213 78 G HA3 -0.171 3.789 3.960 0.001 0.000 0.213 78 G C 1.472 176.371 174.900 -0.001 0.000 1.201 78 G CA 0.804 45.877 45.100 -0.044 0.000 0.799 78 G HN 0.764 nan 8.290 nan 0.000 0.534 79 E N 0.527 120.727 120.200 -0.000 0.000 2.085 79 E HA -0.088 4.262 4.350 0.001 0.000 0.194 79 E C 2.401 179.033 176.600 0.054 0.000 0.994 79 E CA 0.832 57.312 56.400 0.134 0.000 0.801 79 E CB -0.534 29.202 29.700 0.060 0.000 0.743 79 E HN 0.413 nan 8.360 nan 0.000 0.453 80 L N 1.201 122.347 121.223 -0.127 0.000 2.141 80 L HA -0.085 4.255 4.340 0.001 0.000 0.209 80 L C 2.475 179.304 176.870 -0.067 0.000 1.094 80 L CA 0.943 55.715 54.840 -0.113 0.000 0.763 80 L CB -0.302 41.625 42.059 -0.220 0.000 0.908 80 L HN 0.156 nan 8.230 nan 0.000 0.437 81 S N -0.088 115.567 115.700 -0.074 0.000 2.447 81 S HA -0.057 4.413 4.470 0.001 0.000 0.233 81 S C 1.827 176.379 174.600 -0.080 0.000 1.006 81 S CA 1.058 59.220 58.200 -0.064 0.000 0.957 81 S CB -0.027 63.138 63.200 -0.059 0.000 0.773 81 S HN 0.492 nan 8.310 nan 0.000 0.507 82 A N 0.476 123.251 122.820 -0.074 0.000 2.308 82 A HA 0.319 4.640 4.320 0.001 0.000 0.217 82 A C 1.796 179.314 177.584 -0.111 0.000 1.216 82 A CA -0.086 51.866 52.037 -0.142 0.000 0.864 82 A CB -0.258 18.606 19.000 -0.226 0.000 0.902 82 A HN 0.293 nan 8.150 nan 0.000 0.499 83 M N 0.322 119.901 119.600 -0.035 0.000 2.088 83 M HA -0.250 4.231 4.480 0.001 0.000 0.256 83 M C 2.063 178.356 176.300 -0.012 0.000 1.071 83 M CA 1.995 57.291 55.300 -0.007 0.000 1.097 83 M CB -1.173 31.436 32.600 0.015 0.000 1.315 83 M HN 0.743 nan 8.290 nan 0.000 0.406 84 N N -0.036 118.687 118.700 0.039 0.000 2.205 84 N HA -0.138 4.602 4.740 0.001 0.000 0.186 84 N C 1.694 177.282 175.510 0.129 0.000 1.015 84 N CA 1.382 54.541 53.050 0.181 0.000 0.862 84 N CB -0.005 38.627 38.487 0.243 0.000 0.986 84 N HN 0.389 nan 8.380 nan 0.000 0.429 85 G N 1.501 110.276 108.800 -0.042 0.000 2.404 85 G HA2 -0.119 3.841 3.960 0.001 0.000 0.214 85 G HA3 -0.119 3.841 3.960 0.001 0.000 0.214 85 G C 1.540 176.396 174.900 -0.074 0.000 1.189 85 G CA 0.253 45.332 45.100 -0.035 0.000 0.789 85 G HN 0.195 nan 8.290 nan 0.000 0.533 86 I N 2.170 122.666 120.570 -0.123 0.000 2.208 86 I HA -0.165 4.006 4.170 0.001 0.000 0.245 86 I C 3.278 179.284 176.117 -0.185 0.000 1.097 86 I CA 1.211 62.443 61.300 -0.112 0.000 1.363 86 I CB -1.402 36.566 38.000 -0.054 0.000 1.051 86 I HN 0.257 nan 8.210 nan 0.000 0.413 87 A N 1.112 123.750 122.820 -0.303 0.000 1.883 87 A HA -0.150 4.170 4.320 0.001 0.000 0.217 87 A C 2.543 179.542 177.584 -0.974 0.000 1.186 87 A CA 2.099 53.773 52.037 -0.605 0.000 0.624 87 A CB -1.405 17.174 19.000 -0.701 0.000 0.822 87 A HN 0.435 nan 8.150 nan 0.000 0.444 88 G N -0.956 107.194 108.800 -1.083 0.000 2.418 88 G HA2 -0.137 3.823 3.960 0.001 0.000 0.217 88 G HA3 -0.137 3.823 3.960 0.001 0.000 0.217 88 G C 1.817 176.500 174.900 -0.360 0.000 1.158 88 G CA 1.317 45.839 45.100 -0.964 0.000 0.771 88 G HN 0.495 nan 8.290 nan 0.000 0.545 89 S N -0.383 115.196 115.700 -0.202 0.000 2.368 89 S HA -0.139 4.332 4.470 0.001 0.000 0.225 89 S C 1.966 176.511 174.600 -0.092 0.000 1.030 89 S CA 1.215 59.363 58.200 -0.087 0.000 0.999 89 S CB -0.426 62.747 63.200 -0.046 0.000 0.844 89 S HN 0.527 nan 8.310 nan 0.000 0.459 90 Y N 2.273 122.428 120.300 -0.241 0.000 2.200 90 Y HA -0.066 4.484 4.550 0.001 0.000 0.290 90 Y C 2.401 178.158 175.900 -0.237 0.000 1.137 90 Y CA 0.933 58.890 58.100 -0.239 0.000 1.163 90 Y CB -0.715 37.604 38.460 -0.236 0.000 0.988 90 Y HN 0.211 nan 8.280 nan 0.000 0.518 91 A N 0.251 123.028 122.820 -0.070 0.000 1.933 91 A HA -0.165 4.156 4.320 0.001 0.000 0.218 91 A C 1.723 179.330 177.584 0.037 0.000 1.175 91 A CA 1.891 53.923 52.037 -0.010 0.000 0.628 91 A CB -0.479 18.517 19.000 -0.007 0.000 0.814 91 A HN 0.625 nan 8.150 nan 0.000 0.444 92 E N -1.012 119.191 120.200 0.006 0.000 2.496 92 E HA 0.174 4.525 4.350 0.001 0.000 0.200 92 E C -0.897 175.918 176.600 0.359 0.000 1.016 92 E CA -0.404 56.058 56.400 0.104 0.000 0.962 92 E CB -0.048 29.610 29.700 -0.071 0.000 1.071 92 E HN 0.690 nan 8.360 nan 0.000 0.457 93 H N -0.635 118.469 119.070 0.056 0.000 2.672 93 H HA -0.136 4.420 4.556 0.001 0.000 0.325 93 H C -0.930 174.404 175.328 0.011 0.000 1.158 93 H CA 0.290 56.347 56.048 0.015 0.000 1.134 93 H CB -1.899 27.909 29.762 0.078 0.000 1.553 93 H HN -0.033 nan 8.280 nan 0.000 0.419 94 V N 2.124 122.061 119.914 0.038 0.000 2.357 94 V HA 0.283 4.404 4.120 0.001 0.000 0.284 94 V C -1.718 174.356 176.094 -0.033 0.000 1.018 94 V CA -1.610 60.704 62.300 0.024 0.000 0.841 94 V CB 1.875 33.717 31.823 0.031 0.000 0.991 94 V HN 0.194 nan 8.190 nan 0.000 0.437 95 P HA 0.130 nan 4.420 nan 0.000 0.263 95 P C -0.567 176.545 177.300 -0.314 0.000 1.601 95 P CA 0.223 63.256 63.100 -0.111 0.000 1.161 95 P CB 0.630 32.324 31.700 -0.011 0.000 1.730 96 V N 5.545 125.325 119.914 -0.223 0.000 2.384 96 V HA 0.216 4.336 4.120 0.001 0.000 0.287 96 V C 0.370 176.362 176.094 -0.171 0.000 1.020 96 V CA -0.955 61.194 62.300 -0.251 0.000 0.850 96 V CB 1.858 33.607 31.823 -0.123 0.000 0.987 96 V HN 0.311 nan 8.190 nan 0.000 0.436 97 L N 5.206 126.303 121.223 -0.210 0.000 2.276 97 L HA 0.455 4.795 4.340 0.001 0.000 0.286 97 L C -0.147 176.778 176.870 0.092 0.000 1.061 97 L CA 0.305 55.149 54.840 0.006 0.000 0.807 97 L CB 0.540 42.670 42.059 0.119 0.000 1.177 97 L HN 0.750 nan 8.230 nan 0.000 0.429 98 H N 5.890 124.950 119.070 -0.016 0.000 2.581 98 H HA 0.469 5.026 4.556 0.001 0.000 0.308 98 H C -0.919 174.294 175.328 -0.192 0.000 1.040 98 H CA -0.889 55.120 56.048 -0.066 0.000 1.231 98 H CB 0.760 30.503 29.762 -0.031 0.000 1.396 98 H HN 0.654 nan 8.280 nan 0.000 0.467 99 I N 6.130 126.719 120.570 0.031 0.000 2.336 99 I HA 0.149 4.320 4.170 0.001 0.000 0.292 99 I C -0.469 175.510 176.117 -0.231 0.000 0.991 99 I CA -0.823 60.369 61.300 -0.180 0.000 1.227 99 I CB 1.840 39.776 38.000 -0.107 0.000 1.366 99 I HN 0.295 nan 8.210 nan 0.000 0.466 100 V N 6.173 125.850 119.914 -0.395 0.000 2.407 100 V HA 0.703 4.824 4.120 0.001 0.000 0.291 100 V C 0.320 176.350 176.094 -0.106 0.000 1.018 100 V CA -0.258 61.901 62.300 -0.235 0.000 0.842 100 V CB 1.336 32.966 31.823 -0.321 0.000 0.996 100 V HN 0.827 nan 8.190 nan 0.000 0.426 101 G N 5.239 114.035 108.800 -0.007 0.000 2.378 101 G HA2 0.624 4.584 3.960 0.001 0.000 0.255 101 G HA3 0.624 4.584 3.960 0.001 0.000 0.255 101 G C -0.067 174.893 174.900 0.101 0.000 1.270 101 G CA 0.344 45.460 45.100 0.027 0.000 0.876 101 G HN 1.617 nan 8.290 nan 0.000 0.521 102 A N 4.090 126.870 122.820 -0.066 0.000 2.485 102 A HA 0.957 5.277 4.320 0.001 0.000 0.292 102 A C -2.735 174.467 177.584 -0.638 0.000 1.147 102 A CA -1.609 50.211 52.037 -0.361 0.000 0.750 102 A CB 1.537 20.375 19.000 -0.270 0.000 1.331 102 A HN 0.520 nan 8.150 nan 0.000 0.419 103 P HA 0.248 nan 4.420 nan 0.000 0.270 103 P C 0.462 177.470 177.300 -0.488 0.000 1.227 103 P CA 0.378 62.970 63.100 -0.846 0.000 0.788 103 P CB 0.412 31.563 31.700 -0.914 0.000 0.926 104 G N -0.025 108.591 108.800 -0.306 0.000 2.491 104 G HA2 0.148 4.109 3.960 0.001 0.000 0.238 104 G HA3 0.148 4.109 3.960 0.001 0.000 0.238 104 G C 1.274 175.988 174.900 -0.311 0.000 1.277 104 G CA 0.169 45.125 45.100 -0.241 0.000 0.851 104 G HN 0.574 nan 8.290 nan 0.000 0.573 105 T N -0.104 114.297 114.554 -0.254 0.000 2.699 105 T HA -0.213 4.138 4.350 0.001 0.000 0.268 105 T C 2.557 177.105 174.700 -0.253 0.000 1.036 105 T CA 2.011 63.956 62.100 -0.259 0.000 1.147 105 T CB -0.421 68.335 68.868 -0.187 0.000 0.862 105 T HN 0.778 nan 8.240 nan 0.000 0.446 106 A N 2.230 124.932 122.820 -0.196 0.000 1.877 106 A HA 0.272 4.593 4.320 0.001 0.000 0.216 106 A C 2.907 180.368 177.584 -0.205 0.000 1.186 106 A CA 2.217 54.156 52.037 -0.164 0.000 0.620 106 A CB -1.525 17.406 19.000 -0.115 0.000 0.822 106 A HN 0.834 nan 8.150 nan 0.000 0.443 107 A N -0.852 121.823 122.820 -0.242 0.000 1.940 107 A HA -0.235 4.085 4.320 0.001 0.000 0.219 107 A C 2.129 179.427 177.584 -0.477 0.000 1.176 107 A CA 1.752 53.624 52.037 -0.275 0.000 0.631 107 A CB -0.557 18.291 19.000 -0.254 0.000 0.814 107 A HN 0.689 nan 8.150 nan 0.000 0.446 108 Q N -1.270 118.106 119.800 -0.706 0.000 2.079 108 Q HA -0.168 4.172 4.340 0.001 0.000 0.200 108 Q C 2.307 178.019 176.000 -0.480 0.000 0.974 108 Q CA 1.216 56.362 55.803 -1.095 0.000 0.840 108 Q CB -0.189 27.961 28.738 -0.980 0.000 0.898 108 Q HN 0.568 nan 8.270 nan 0.000 0.430 109 Q N 0.702 120.324 119.800 -0.297 0.000 2.135 109 Q HA -0.137 4.204 4.340 0.001 0.000 0.204 109 Q C 1.854 177.797 176.000 -0.095 0.000 0.981 109 Q CA 1.393 57.104 55.803 -0.154 0.000 0.856 109 Q CB -0.098 28.564 28.738 -0.127 0.000 0.902 109 Q HN 0.231 nan 8.270 nan 0.000 0.425 110 R N -0.904 119.531 120.500 -0.107 0.000 2.237 110 R HA -0.029 4.311 4.340 0.001 0.000 0.219 110 R C 0.986 177.298 176.300 0.018 0.000 1.080 110 R CA 0.699 56.772 56.100 -0.044 0.000 0.995 110 R CB -0.151 30.119 30.300 -0.050 0.000 0.875 110 R HN 0.403 nan 8.270 nan 0.000 0.462 111 G N 1.632 110.475 108.800 0.071 0.000 2.295 111 G HA2 -0.309 3.651 3.960 0.001 0.000 0.287 111 G HA3 -0.309 3.651 3.960 0.001 0.000 0.287 111 G C -0.565 174.462 174.900 0.212 0.000 1.055 111 G CA 0.251 45.492 45.100 0.234 0.000 0.922 111 G HN 0.408 nan 8.290 nan 0.000 0.503 112 E N -0.934 119.399 120.200 0.220 0.000 2.392 112 E HA 0.379 4.730 4.350 0.001 0.000 0.259 112 E C 0.914 177.630 176.600 0.194 0.000 1.108 112 E CA -0.597 55.902 56.400 0.166 0.000 0.916 112 E CB 0.758 30.528 29.700 0.117 0.000 0.989 112 E HN 0.272 nan 8.360 nan 0.000 0.432 113 L N 3.274 124.570 121.223 0.122 0.000 2.391 113 L HA 0.097 4.437 4.340 0.001 0.000 0.249 113 L C -0.595 176.352 176.870 0.129 0.000 1.308 113 L CA -0.427 54.474 54.840 0.101 0.000 1.209 113 L CB -0.559 41.546 42.059 0.076 0.000 1.401 113 L HN 0.219 nan 8.230 nan 0.000 0.416 114 L N 1.266 122.588 121.223 0.165 0.000 2.399 114 L HA 0.223 4.563 4.340 0.001 0.000 0.266 114 L C 0.594 177.543 176.870 0.131 0.000 1.114 114 L CA -0.307 54.634 54.840 0.169 0.000 0.804 114 L CB 0.807 42.992 42.059 0.211 0.000 1.146 114 L HN 0.441 nan 8.230 nan 0.000 0.451 115 H N 0.890 120.031 119.070 0.119 0.000 2.771 115 H HA 0.222 4.778 4.556 0.000 0.000 0.364 115 H C -0.142 175.289 175.328 0.172 0.000 1.133 115 H CA -0.087 55.969 56.048 0.013 0.000 1.423 115 H CB 0.110 29.729 29.762 -0.238 0.000 1.425 115 H HN 0.625 nan 8.280 nan 0.000 0.606 116 H N -1.670 117.573 119.070 0.288 0.000 3.049 116 H HA -0.174 4.383 4.556 0.001 0.000 0.250 116 H C -0.074 175.479 175.328 0.375 0.000 1.219 116 H CA 0.916 57.145 56.048 0.302 0.000 1.117 116 H CB -2.349 27.668 29.762 0.425 0.000 1.251 116 H HN 1.019 nan 8.280 nan 0.000 0.338 117 T N -3.482 111.309 114.554 0.394 0.000 2.910 117 T HA 0.561 4.911 4.350 0.001 0.000 0.287 117 T C 1.084 175.926 174.700 0.236 0.000 1.050 117 T CA -1.053 61.247 62.100 0.332 0.000 1.011 117 T CB 1.609 70.501 68.868 0.041 0.000 1.195 117 T HN -0.065 nan 8.240 nan 0.000 0.540 118 L N 1.061 122.390 121.223 0.177 0.000 2.599 118 L HA 0.360 4.701 4.340 0.001 0.000 0.230 118 L C 2.054 178.966 176.870 0.071 0.000 1.141 118 L CA 1.334 56.251 54.840 0.129 0.000 0.877 118 L CB -1.270 40.848 42.059 0.099 0.000 1.009 118 L HN 1.268 nan 8.230 nan 0.000 0.447 119 G N 0.193 109.020 108.800 0.045 0.000 2.160 119 G HA2 -0.274 3.687 3.960 0.001 0.000 0.244 119 G HA3 -0.274 3.687 3.960 0.001 0.000 0.244 119 G C 0.422 175.332 174.900 0.015 0.000 1.022 119 G CA 0.568 45.689 45.100 0.034 0.000 0.741 119 G HN 0.489 nan 8.290 nan 0.000 0.508 120 D N -1.419 118.974 120.400 -0.012 0.000 2.503 120 D HA 0.389 5.029 4.640 0.001 0.000 0.218 120 D C 1.665 177.943 176.300 -0.036 0.000 1.183 120 D CA 0.464 54.462 54.000 -0.003 0.000 0.827 120 D CB -0.393 40.428 40.800 0.035 0.000 1.034 120 D HN 1.468 nan 8.370 nan 0.000 0.510 121 G N 0.408 109.151 108.800 -0.095 0.000 2.162 121 G HA2 -0.260 3.700 3.960 0.001 0.000 0.260 121 G HA3 -0.260 3.700 3.960 0.001 0.000 0.260 121 G C -0.171 174.655 174.900 -0.123 0.000 0.976 121 G CA 0.062 45.133 45.100 -0.048 0.000 0.655 121 G HN 0.360 nan 8.290 nan 0.000 0.533 122 E N -0.626 119.375 120.200 -0.333 0.000 2.197 122 E HA 0.602 4.952 4.350 0.001 0.000 0.281 122 E C -0.064 176.161 176.600 -0.625 0.000 0.995 122 E CA -0.610 55.558 56.400 -0.387 0.000 0.808 122 E CB 0.758 30.113 29.700 -0.575 0.000 1.093 122 E HN 0.192 nan 8.360 nan 0.000 0.394 123 F N 0.793 120.623 119.950 -0.200 0.000 2.729 123 F HA 0.198 4.725 4.527 0.000 0.000 0.315 123 F C 1.492 177.243 175.800 -0.082 0.000 1.102 123 F CA -0.257 57.720 58.000 -0.039 0.000 1.204 123 F CB 0.616 39.548 39.000 -0.112 0.000 1.052 123 F HN 0.065 nan 8.300 nan 0.000 0.551 124 R N -1.103 119.291 120.500 -0.177 0.000 2.437 124 R HA 0.211 4.551 4.340 0.001 0.000 0.257 124 R C 1.185 177.299 176.300 -0.311 0.000 0.927 124 R CA 0.092 56.037 56.100 -0.260 0.000 1.078 124 R CB -0.851 29.250 30.300 -0.330 0.000 1.161 124 R HN 0.430 nan 8.270 nan 0.000 0.529 125 H N -0.071 118.783 119.070 -0.360 0.000 2.267 125 H HA -0.127 4.430 4.556 0.000 0.000 0.297 125 H C 1.168 176.319 175.328 -0.295 0.000 1.080 125 H CA 1.993 57.815 56.048 -0.377 0.000 1.278 125 H CB -0.037 29.331 29.762 -0.656 0.000 1.365 125 H HN 0.058 nan 8.280 nan 0.000 0.489 126 F N -0.583 119.399 119.950 0.053 0.000 2.216 126 F HA -0.180 4.347 4.527 0.001 0.000 0.300 126 F C 2.382 178.127 175.800 -0.092 0.000 1.085 126 F CA 0.720 58.688 58.000 -0.054 0.000 1.326 126 F CB -1.191 37.701 39.000 -0.181 0.000 1.027 126 F HN 0.210 nan 8.300 nan 0.000 0.497 127 Y N 0.578 120.803 120.300 -0.125 0.000 2.145 127 Y HA -0.255 4.295 4.550 0.001 0.000 0.286 127 Y C 2.562 178.261 175.900 -0.335 0.000 1.145 127 Y CA 1.972 59.852 58.100 -0.367 0.000 1.148 127 Y CB -0.982 37.285 38.460 -0.322 0.000 0.981 127 Y HN 0.171 nan 8.280 nan 0.000 0.507 128 H N -1.118 117.885 119.070 -0.112 0.000 2.423 128 H HA -0.111 4.445 4.556 0.000 0.000 0.297 128 H C 2.104 177.316 175.328 -0.192 0.000 1.075 128 H CA 1.373 57.311 56.048 -0.184 0.000 1.342 128 H CB -0.127 29.624 29.762 -0.020 0.000 1.395 128 H HN 0.359 nan 8.280 nan 0.000 0.530 129 M N -0.501 119.100 119.600 0.002 0.000 2.374 129 M HA -0.122 4.358 4.480 0.001 0.000 0.264 129 M C 2.057 178.294 176.300 -0.106 0.000 1.067 129 M CA 0.877 56.166 55.300 -0.017 0.000 1.103 129 M CB 0.220 32.859 32.600 0.064 0.000 1.402 129 M HN 0.061 nan 8.290 nan 0.000 0.444 130 S N -0.271 115.293 115.700 -0.227 0.000 2.548 130 S HA -0.026 4.444 4.470 0.001 0.000 0.215 130 S C 1.704 176.102 174.600 -0.337 0.000 0.976 130 S CA 0.150 58.178 58.200 -0.287 0.000 0.908 130 S CB -0.098 62.822 63.200 -0.467 0.000 0.781 130 S HN 0.336 nan 8.310 nan 0.000 0.519 131 E N 2.336 122.327 120.200 -0.348 0.000 2.077 131 E HA -0.071 4.280 4.350 0.001 0.000 0.193 131 E C -1.092 175.355 176.600 -0.254 0.000 0.989 131 E CA 1.408 57.627 56.400 -0.303 0.000 0.800 131 E CB -1.003 28.547 29.700 -0.250 0.000 0.746 131 E HN 0.405 nan 8.360 nan 0.000 0.452 132 P HA -0.037 nan 4.420 nan 0.000 0.226 132 P C 1.198 178.134 177.300 -0.606 0.000 1.153 132 P CA 1.038 63.947 63.100 -0.318 0.000 0.777 132 P CB -0.212 31.355 31.700 -0.223 0.000 0.794 133 I N -4.338 115.906 120.570 -0.543 0.000 3.877 133 I HA 0.316 4.487 4.170 0.001 0.000 0.332 133 I C -0.373 175.511 176.117 -0.387 0.000 1.525 133 I CA -0.374 60.492 61.300 -0.723 0.000 1.146 133 I CB -0.198 37.571 38.000 -0.385 0.000 1.137 133 I HN -0.195 nan 8.210 nan 0.000 0.424 134 T N -1.811 112.598 114.554 -0.242 0.000 2.896 134 T HA 0.458 4.808 4.350 0.001 0.000 0.297 134 T C 0.636 175.432 174.700 0.159 0.000 1.108 134 T CA -0.137 62.009 62.100 0.077 0.000 1.004 134 T CB 2.093 70.992 68.868 0.052 0.000 1.159 134 T HN 0.013 nan 8.240 nan 0.000 0.499 135 V N -1.969 118.074 119.914 0.215 0.000 3.590 135 V HA 0.739 4.859 4.120 0.001 0.000 0.265 135 V C 0.678 176.843 176.094 0.118 0.000 1.239 135 V CA 0.489 62.897 62.300 0.179 0.000 1.117 135 V CB -0.854 31.053 31.823 0.140 0.000 0.818 135 V HN 1.317 nan 8.190 nan 0.000 0.451 136 A N 0.816 123.706 122.820 0.116 0.000 2.566 136 A HA 0.787 5.107 4.320 0.001 0.000 0.297 136 A C -0.995 176.670 177.584 0.135 0.000 1.059 136 A CA -0.418 51.688 52.037 0.115 0.000 0.691 136 A CB 1.635 20.714 19.000 0.131 0.000 1.282 136 A HN 0.654 nan 8.150 nan 0.000 0.401 137 Q N 0.302 120.187 119.800 0.142 0.000 2.482 137 Q HA 0.857 5.197 4.340 0.001 0.000 0.286 137 Q C -0.944 175.242 176.000 0.310 0.000 1.007 137 Q CA -0.754 55.187 55.803 0.229 0.000 0.801 137 Q CB 2.101 30.866 28.738 0.044 0.000 1.455 137 Q HN 2.204 nan 8.270 nan 0.000 0.398 138 A N 0.758 123.832 122.820 0.425 0.000 2.577 138 A HA 0.570 4.890 4.320 0.001 0.000 0.297 138 A C -1.412 176.277 177.584 0.175 0.000 1.060 138 A CA -0.658 51.549 52.037 0.283 0.000 0.697 138 A CB 2.024 21.102 19.000 0.129 0.000 1.281 138 A HN 0.463 nan 8.150 nan 0.000 0.402 139 V N 3.413 123.287 119.914 -0.066 0.000 2.339 139 V HA 0.233 4.353 4.120 0.001 0.000 0.261 139 V C -0.176 175.832 176.094 -0.143 0.000 1.058 139 V CA -0.469 61.716 62.300 -0.191 0.000 0.897 139 V CB 0.447 32.027 31.823 -0.404 0.000 1.052 139 V HN 0.691 nan 8.190 nan 0.000 0.480 140 L N 5.903 127.052 121.223 -0.124 0.000 2.499 140 L HA 0.340 4.680 4.340 0.001 0.000 0.273 140 L C 0.815 177.589 176.870 -0.159 0.000 1.195 140 L CA 0.966 55.718 54.840 -0.148 0.000 0.882 140 L CB 0.721 42.693 42.059 -0.145 0.000 1.133 140 L HN 0.921 nan 8.230 nan 0.000 0.483 141 T N -1.291 113.164 114.554 -0.164 0.000 2.887 141 T HA 0.333 4.684 4.350 0.001 0.000 0.292 141 T C 0.740 175.357 174.700 -0.138 0.000 1.087 141 T CA -0.621 61.393 62.100 -0.143 0.000 1.009 141 T CB 1.183 69.977 68.868 -0.123 0.000 1.203 141 T HN 0.638 nan 8.240 nan 0.000 0.518 142 E N -0.087 120.046 120.200 -0.110 0.000 2.209 142 E HA -0.203 4.148 4.350 0.001 0.000 0.196 142 E C 1.492 178.043 176.600 -0.082 0.000 0.993 142 E CA 1.309 57.653 56.400 -0.093 0.000 0.819 142 E CB -0.019 29.637 29.700 -0.072 0.000 0.745 142 E HN 0.680 nan 8.360 nan 0.000 0.477 143 Q N -0.539 119.217 119.800 -0.072 0.000 2.356 143 Q HA 0.070 4.411 4.340 0.001 0.000 0.205 143 Q C 0.954 176.936 176.000 -0.029 0.000 0.901 143 Q CA 0.890 56.677 55.803 -0.027 0.000 0.938 143 Q CB 0.418 29.159 28.738 0.004 0.000 1.081 143 Q HN 0.501 nan 8.270 nan 0.000 0.517 144 N N -2.150 116.430 118.700 -0.200 0.000 2.129 144 N HA 0.241 4.981 4.740 0.001 0.000 0.222 144 N C 1.397 176.471 175.510 -0.726 0.000 1.303 144 N CA 0.503 53.192 53.050 -0.601 0.000 0.897 144 N CB 0.167 38.365 38.487 -0.482 0.000 1.093 144 N HN 0.054 nan 8.380 nan 0.000 0.501 145 A N 1.824 124.411 122.820 -0.389 0.000 1.997 145 A HA -0.356 3.964 4.320 0.001 0.000 0.237 145 A C 2.408 179.768 177.584 -0.374 0.000 1.807 145 A CA 2.410 54.253 52.037 -0.324 0.000 0.863 145 A CB -1.574 17.274 19.000 -0.253 0.000 0.821 145 A HN 0.578 nan 8.150 nan 0.000 0.500 146 C N -1.709 117.329 119.300 -0.437 0.000 2.393 146 C HA -0.151 4.309 4.460 0.001 0.000 0.276 146 C C 2.747 177.642 174.990 -0.157 0.000 1.215 146 C CA 1.272 59.972 59.018 -0.530 0.000 1.743 146 C CB -2.047 25.290 27.740 -0.671 0.000 2.044 146 C HN 0.857 nan 8.230 nan 0.000 0.464 147 Y N 1.136 121.396 120.300 -0.066 0.000 2.373 147 Y HA 0.056 4.607 4.550 0.000 0.000 0.293 147 Y C 2.086 178.008 175.900 0.037 0.000 1.129 147 Y CA 1.104 59.212 58.100 0.013 0.000 1.226 147 Y CB -0.921 37.544 38.460 0.009 0.000 1.000 147 Y HN 0.202 nan 8.280 nan 0.000 0.549 148 E N 1.158 121.162 120.200 -0.327 0.000 2.107 148 E HA -0.065 4.285 4.350 0.001 0.000 0.191 148 E C 2.225 178.828 176.600 0.005 0.000 0.982 148 E CA 0.986 57.310 56.400 -0.126 0.000 0.809 148 E CB -0.220 29.331 29.700 -0.248 0.000 0.756 148 E HN 0.636 nan 8.360 nan 0.000 0.459 149 I N 1.590 122.154 120.570 -0.009 0.000 2.226 149 I HA -0.268 3.902 4.170 0.001 0.000 0.245 149 I C 1.730 177.943 176.117 0.160 0.000 1.100 149 I CA 1.184 62.539 61.300 0.092 0.000 1.374 149 I CB -0.149 37.939 38.000 0.146 0.000 1.057 149 I HN -0.046 nan 8.210 nan 0.000 0.413 150 D N 0.187 120.699 120.400 0.187 0.000 2.183 150 D HA -0.148 4.492 4.640 0.001 0.000 0.203 150 D C 2.160 178.556 176.300 0.160 0.000 0.969 150 D CA 0.800 54.913 54.000 0.189 0.000 0.842 150 D CB -0.231 40.697 40.800 0.214 0.000 0.957 150 D HN 0.267 nan 8.370 nan 0.000 0.484 151 R N 0.996 121.594 120.500 0.162 0.000 2.062 151 R HA -0.123 4.217 4.340 0.001 0.000 0.231 151 R C 2.356 178.743 176.300 0.145 0.000 1.136 151 R CA 1.664 57.856 56.100 0.153 0.000 0.948 151 R CB -0.253 30.148 30.300 0.168 0.000 0.845 151 R HN 0.182 nan 8.270 nan 0.000 0.430 152 V N -0.503 119.500 119.914 0.147 0.000 2.343 152 V HA -0.181 3.940 4.120 0.001 0.000 0.247 152 V C 2.239 178.440 176.094 0.178 0.000 1.051 152 V CA 1.636 64.030 62.300 0.158 0.000 1.036 152 V CB -0.729 31.192 31.823 0.163 0.000 0.654 152 V HN 0.291 nan 8.190 nan 0.000 0.451 153 L N 0.439 121.774 121.223 0.187 0.000 2.042 153 L HA -0.164 4.176 4.340 0.001 0.000 0.210 153 L C 2.901 179.883 176.870 0.186 0.000 1.076 153 L CA 2.413 57.381 54.840 0.213 0.000 0.749 153 L CB -1.102 41.056 42.059 0.164 0.000 0.893 153 L HN 0.393 nan 8.230 nan 0.000 0.432 154 T N -1.372 113.274 114.554 0.153 0.000 2.746 154 T HA -0.183 4.168 4.350 0.001 0.000 0.267 154 T C 1.861 176.646 174.700 0.142 0.000 1.039 154 T CA 1.921 64.106 62.100 0.142 0.000 1.142 154 T CB -0.240 68.701 68.868 0.123 0.000 0.866 154 T HN 0.350 nan 8.240 nan 0.000 0.444 155 T N 2.054 116.691 114.554 0.138 0.000 2.788 155 T HA 0.035 4.385 4.350 0.001 0.000 0.268 155 T C 2.040 176.822 174.700 0.136 0.000 1.044 155 T CA 0.938 63.114 62.100 0.127 0.000 1.139 155 T CB -0.291 68.648 68.868 0.119 0.000 0.867 155 T HN 0.304 nan 8.240 nan 0.000 0.454 156 M N 0.248 119.946 119.600 0.164 0.000 2.086 156 M HA -0.065 4.415 4.480 0.001 0.000 0.261 156 M C 1.975 178.371 176.300 0.160 0.000 1.067 156 M CA 1.375 56.779 55.300 0.173 0.000 1.116 156 M CB -0.393 32.362 32.600 0.259 0.000 1.348 156 M HN 0.182 nan 8.290 nan 0.000 0.407 157 L N -0.184 121.144 121.223 0.175 0.000 2.093 157 L HA -0.150 4.190 4.340 0.001 0.000 0.208 157 L C 2.456 179.365 176.870 0.066 0.000 1.085 157 L CA 1.699 56.606 54.840 0.111 0.000 0.755 157 L CB -1.107 41.019 42.059 0.111 0.000 0.904 157 L HN 0.286 nan 8.230 nan 0.000 0.435 158 R N -0.288 120.279 120.500 0.112 0.000 2.062 158 R HA -0.110 4.231 4.340 0.001 0.000 0.231 158 R C 1.703 178.112 176.300 0.181 0.000 1.136 158 R CA 1.222 57.408 56.100 0.144 0.000 0.948 158 R CB 0.112 30.498 30.300 0.143 0.000 0.845 158 R HN 0.259 nan 8.270 nan 0.000 0.430 159 E N 0.509 120.804 120.200 0.159 0.000 2.442 159 E HA 0.006 4.356 4.350 0.001 0.000 0.195 159 E C -0.014 176.649 176.600 0.105 0.000 1.030 159 E CA 0.049 56.557 56.400 0.181 0.000 0.869 159 E CB 0.217 29.995 29.700 0.131 0.000 0.857 159 E HN 0.177 nan 8.360 nan 0.000 0.505 160 R N 0.575 121.088 120.500 0.022 0.000 3.267 160 R HA -0.173 4.167 4.340 0.001 0.000 0.254 160 R C -0.171 176.119 176.300 -0.017 0.000 0.993 160 R CA 0.528 56.611 56.100 -0.028 0.000 0.670 160 R CB -2.066 28.143 30.300 -0.153 0.000 1.125 160 R HN 0.245 nan 8.270 nan 0.000 0.434 161 R N -0.897 119.585 120.500 -0.030 0.000 2.817 161 R HA 0.471 4.812 4.340 0.001 0.000 0.268 161 R C -2.557 173.743 176.300 -0.001 0.000 1.027 161 R CA -2.188 53.855 56.100 -0.095 0.000 0.928 161 R CB 2.015 32.170 30.300 -0.241 0.000 1.228 161 R HN -0.162 nan 8.270 nan 0.000 0.469 162 P HA 0.101 nan 4.420 nan 0.000 0.269 162 P C -0.789 176.587 177.300 0.126 0.000 1.209 162 P CA 0.031 63.174 63.100 0.071 0.000 0.776 162 P CB 0.698 32.454 31.700 0.093 0.000 0.876 163 G N 0.964 109.845 108.800 0.135 0.000 2.533 163 G HA2 0.569 4.530 3.960 0.001 0.000 0.304 163 G HA3 0.569 4.530 3.960 0.001 0.000 0.304 163 G C -2.294 172.750 174.900 0.240 0.000 1.263 163 G CA -0.329 44.880 45.100 0.181 0.000 0.964 163 G HN 0.375 nan 8.290 nan 0.000 0.479 164 Y N 0.670 121.026 120.300 0.093 0.000 2.406 164 Y HA 0.705 5.256 4.550 0.000 0.000 0.340 164 Y C -1.197 174.756 175.900 0.089 0.000 0.975 164 Y CA -1.177 56.971 58.100 0.079 0.000 1.056 164 Y CB 1.842 40.323 38.460 0.035 0.000 1.210 164 Y HN 0.406 nan 8.280 nan 0.000 0.448 165 L N 7.649 128.757 121.223 -0.192 0.000 2.404 165 L HA 0.490 4.831 4.340 0.001 0.000 0.272 165 L C -0.709 175.990 176.870 -0.286 0.000 0.980 165 L CA -0.771 54.012 54.840 -0.095 0.000 0.836 165 L CB 1.994 44.011 42.059 -0.070 0.000 1.238 165 L HN 0.693 nan 8.230 nan 0.000 0.408 166 M N 4.764 124.334 119.600 -0.049 0.000 2.084 166 M HA 0.333 4.814 4.480 0.001 0.000 0.351 166 M C -1.361 174.867 176.300 -0.120 0.000 1.240 166 M CA -0.740 54.526 55.300 -0.057 0.000 1.083 166 M CB 1.058 33.731 32.600 0.122 0.000 1.593 166 M HN 0.434 nan 8.290 nan 0.000 0.463 167 L N 9.456 130.574 121.223 -0.175 0.000 2.297 167 L HA 0.580 4.920 4.340 0.001 0.000 0.277 167 L C -2.503 174.260 176.870 -0.178 0.000 1.040 167 L CA -1.907 52.811 54.840 -0.204 0.000 0.867 167 L CB 0.870 42.738 42.059 -0.319 0.000 1.244 167 L HN 0.443 nan 8.230 nan 0.000 0.433 168 P HA 0.113 nan 4.420 nan 0.000 0.268 168 P C 0.394 177.613 177.300 -0.135 0.000 1.204 168 P CA 0.169 63.157 63.100 -0.187 0.000 0.768 168 P CB 1.011 32.589 31.700 -0.204 0.000 0.842 169 A N 4.583 127.344 122.820 -0.097 0.000 1.927 169 A HA -0.265 4.056 4.320 0.001 0.000 0.220 169 A C 1.825 179.390 177.584 -0.031 0.000 1.185 169 A CA 2.306 54.329 52.037 -0.023 0.000 0.639 169 A CB -1.254 17.773 19.000 0.045 0.000 0.820 169 A HN 0.668 nan 8.150 nan 0.000 0.451 170 D N -0.149 120.215 120.400 -0.060 0.000 2.144 170 D HA -0.098 4.542 4.640 0.001 0.000 0.200 170 D C 1.806 178.067 176.300 -0.065 0.000 0.978 170 D CA 1.528 55.496 54.000 -0.054 0.000 0.833 170 D CB -0.938 39.821 40.800 -0.069 0.000 0.961 170 D HN 0.269 nan 8.370 nan 0.000 0.470 171 V N 1.640 121.499 119.914 -0.090 0.000 2.407 171 V HA -0.191 3.930 4.120 0.001 0.000 0.248 171 V C 2.943 178.983 176.094 -0.091 0.000 1.055 171 V CA 1.620 63.861 62.300 -0.099 0.000 1.049 171 V CB -0.905 30.843 31.823 -0.125 0.000 0.662 171 V HN 0.362 nan 8.190 nan 0.000 0.455 172 A N -0.089 122.682 122.820 -0.081 0.000 1.940 172 A HA -0.240 4.080 4.320 0.001 0.000 0.219 172 A C 2.231 179.769 177.584 -0.078 0.000 1.176 172 A CA 1.854 53.852 52.037 -0.065 0.000 0.631 172 A CB -0.382 18.617 19.000 -0.002 0.000 0.814 172 A HN 0.574 nan 8.150 nan 0.000 0.446 173 K N -0.583 119.790 120.400 -0.045 0.000 2.418 173 K HA 0.034 4.354 4.320 0.001 0.000 0.195 173 K C 0.119 176.698 176.600 -0.034 0.000 1.035 173 K CA 0.115 56.386 56.287 -0.028 0.000 1.003 173 K CB 0.054 32.558 32.500 0.007 0.000 0.793 173 K HN 0.143 nan 8.250 nan 0.000 0.494 174 K N 1.625 121.995 120.400 -0.049 0.000 2.436 174 K HA 0.081 4.402 4.320 0.001 0.000 0.275 174 K C -0.318 176.265 176.600 -0.028 0.000 0.999 174 K CA -0.029 56.234 56.287 -0.040 0.000 0.980 174 K CB 0.563 33.029 32.500 -0.056 0.000 0.919 174 K HN 0.114 nan 8.250 nan 0.000 0.484 175 A N 1.744 124.565 122.820 0.000 0.000 2.462 175 A HA 0.525 4.846 4.320 0.001 0.000 0.243 175 A C -0.256 177.360 177.584 0.053 0.000 1.076 175 A CA 0.472 52.532 52.037 0.038 0.000 0.773 175 A CB 0.049 19.077 19.000 0.046 0.000 1.010 175 A HN 0.701 nan 8.150 nan 0.000 0.493 176 A N 0.901 123.808 122.820 0.145 0.000 2.602 176 A HA 0.817 5.137 4.320 0.001 0.000 0.290 176 A C -0.233 177.575 177.584 0.373 0.000 1.114 176 A CA 0.176 52.336 52.037 0.206 0.000 0.683 176 A CB 1.124 20.236 19.000 0.187 0.000 1.281 176 A HN 1.847 nan 8.150 nan 0.000 0.416 177 T N 0.651 115.372 114.554 0.279 0.000 2.829 177 T HA 0.708 5.058 4.350 0.001 0.000 0.280 177 T C -2.934 171.785 174.700 0.031 0.000 0.999 177 T CA -1.881 60.274 62.100 0.091 0.000 0.983 177 T CB 1.131 70.023 68.868 0.041 0.000 0.968 177 T HN 0.317 nan 8.240 nan 0.000 0.446 178 P HA 0.222 nan 4.420 nan 0.000 0.264 178 P C -2.481 174.750 177.300 -0.114 0.000 1.183 178 P CA -0.688 62.130 63.100 -0.471 0.000 0.763 178 P CB -0.336 30.963 31.700 -0.669 0.000 0.807 179 P HA 0.017 nan 4.420 nan 0.000 0.271 179 P C 0.720 177.988 177.300 -0.053 0.000 1.216 179 P CA -0.030 63.047 63.100 -0.037 0.000 0.771 179 P CB 0.550 32.165 31.700 -0.141 0.000 0.864 180 V N 2.353 122.253 119.914 -0.024 0.000 2.488 180 V HA -0.093 4.027 4.120 0.001 0.000 0.246 180 V C 0.689 176.763 176.094 -0.032 0.000 1.046 180 V CA 1.483 63.765 62.300 -0.030 0.000 1.053 180 V CB -0.850 30.965 31.823 -0.015 0.000 0.679 180 V HN 0.595 nan 8.190 nan 0.000 0.458 181 N N -0.555 118.128 118.700 -0.028 0.000 2.269 181 N HA 0.631 5.371 4.740 0.001 0.000 0.304 181 N C -0.433 175.045 175.510 -0.053 0.000 1.072 181 N CA -0.252 52.776 53.050 -0.036 0.000 0.802 181 N CB 1.890 40.362 38.487 -0.026 0.000 1.348 181 N HN 0.286 nan 8.380 nan 0.000 0.484 182 A N 1.450 124.231 122.820 -0.066 0.000 2.445 182 A HA 0.154 4.474 4.320 0.001 0.000 0.242 182 A C -0.000 177.525 177.584 -0.098 0.000 1.075 182 A CA -0.275 51.711 52.037 -0.086 0.000 0.777 182 A CB 0.117 19.064 19.000 -0.088 0.000 1.013 182 A HN 0.622 nan 8.150 nan 0.000 0.493 183 L N 2.493 123.657 121.223 -0.099 0.000 2.584 183 L HA 0.193 4.533 4.340 0.001 0.000 0.272 183 L C 1.211 177.970 176.870 -0.185 0.000 1.195 183 L CA 1.153 55.943 54.840 -0.084 0.000 0.920 183 L CB -0.009 42.022 42.059 -0.046 0.000 1.173 183 L HN 0.846 nan 8.230 nan 0.000 0.489 184 T N 1.103 115.562 114.554 -0.158 0.000 2.913 184 T HA 0.325 4.676 4.350 0.001 0.000 0.287 184 T C 1.036 175.623 174.700 -0.188 0.000 1.008 184 T CA -0.434 61.512 62.100 -0.258 0.000 1.067 184 T CB 0.907 69.705 68.868 -0.117 0.000 0.996 184 T HN 0.580 nan 8.240 nan 0.000 0.513 185 H N 1.254 120.339 119.070 0.024 0.000 2.316 185 H HA 0.271 4.827 4.556 0.000 0.000 0.314 185 H C 0.969 176.327 175.328 0.050 0.000 1.057 185 H CA 0.426 56.495 56.048 0.035 0.000 1.402 185 H CB -0.543 29.237 29.762 0.030 0.000 1.443 185 H HN 0.774 nan 8.280 nan 0.000 0.559 186 K N 2.374 122.871 120.400 0.162 0.000 4.789 186 K HA -0.219 4.102 4.320 0.001 0.000 0.290 186 K C -0.781 175.900 176.600 0.135 0.000 0.798 186 K CA 0.130 56.492 56.287 0.125 0.000 0.860 186 K CB -0.751 31.795 32.500 0.077 0.000 1.852 186 K HN 0.486 nan 8.250 nan 0.000 0.413 187 Q N 1.245 121.128 119.800 0.139 0.000 2.332 187 Q HA 0.277 4.617 4.340 0.001 0.000 0.263 187 Q C 0.455 176.540 176.000 0.141 0.000 0.979 187 Q CA 0.037 55.916 55.803 0.127 0.000 0.885 187 Q CB 1.095 29.901 28.738 0.113 0.000 1.218 187 Q HN 0.572 nan 8.270 nan 0.000 0.405 188 A N 2.695 125.599 122.820 0.139 0.000 2.466 188 A HA 0.093 4.413 4.320 0.001 0.000 0.238 188 A C -0.624 177.079 177.584 0.198 0.000 1.074 188 A CA -0.186 51.959 52.037 0.179 0.000 0.774 188 A CB 0.148 19.217 19.000 0.115 0.000 1.015 188 A HN 0.682 nan 8.150 nan 0.000 0.498 189 H N -0.219 118.877 119.070 0.042 0.000 2.508 189 H HA 0.546 5.103 4.556 0.001 0.000 0.358 189 H C 0.846 176.198 175.328 0.039 0.000 1.212 189 H CA 0.499 56.571 56.048 0.039 0.000 1.356 189 H CB 0.993 30.773 29.762 0.032 0.000 1.525 189 H HN 0.892 nan 8.280 nan 0.000 0.578 190 A N 0.833 123.737 122.820 0.139 0.000 2.332 190 A HA 0.175 4.495 4.320 0.001 0.000 0.258 190 A C -0.111 177.535 177.584 0.104 0.000 1.087 190 A CA -0.461 51.634 52.037 0.096 0.000 0.802 190 A CB -0.075 18.961 19.000 0.060 0.000 1.042 190 A HN 0.856 nan 8.150 nan 0.000 0.489 191 D N 0.555 121.007 120.400 0.087 0.000 2.401 191 D HA 0.186 4.826 4.640 0.001 0.000 0.254 191 D C 1.563 177.910 176.300 0.078 0.000 1.192 191 D CA 0.844 54.890 54.000 0.078 0.000 0.885 191 D CB 0.690 41.535 40.800 0.075 0.000 1.147 191 D HN 0.500 nan 8.370 nan 0.000 0.478 192 S N 3.357 119.098 115.700 0.068 0.000 2.380 192 S HA -0.330 4.140 4.470 0.001 0.000 0.229 192 S C 2.087 176.724 174.600 0.062 0.000 1.043 192 S CA 1.003 59.240 58.200 0.062 0.000 1.038 192 S CB -0.645 62.584 63.200 0.048 0.000 0.872 192 S HN 0.582 nan 8.310 nan 0.000 0.456 193 A N 0.660 123.518 122.820 0.064 0.000 1.902 193 A HA -0.104 4.217 4.320 0.001 0.000 0.217 193 A C 2.605 180.247 177.584 0.096 0.000 1.181 193 A CA 1.485 53.564 52.037 0.070 0.000 0.623 193 A CB -1.577 17.463 19.000 0.067 0.000 0.818 193 A HN 0.737 nan 8.150 nan 0.000 0.443 194 C N -1.079 118.290 119.300 0.115 0.000 2.446 194 C HA -0.029 4.431 4.460 0.001 0.000 0.277 194 C C 2.489 177.567 174.990 0.148 0.000 1.275 194 C CA 1.210 60.330 59.018 0.169 0.000 1.727 194 C CB -1.377 26.465 27.740 0.169 0.000 2.010 194 C HN 0.596 nan 8.230 nan 0.000 0.486 195 L N 1.403 122.689 121.223 0.106 0.000 2.083 195 L HA -0.080 4.261 4.340 0.001 0.000 0.209 195 L C 2.502 179.415 176.870 0.073 0.000 1.083 195 L CA 1.955 56.856 54.840 0.102 0.000 0.752 195 L CB -0.995 41.114 42.059 0.083 0.000 0.899 195 L HN 0.248 nan 8.230 nan 0.000 0.433 196 K N -0.236 120.192 120.400 0.045 0.000 2.026 196 K HA -0.089 4.231 4.320 0.001 0.000 0.208 196 K C 2.035 178.613 176.600 -0.036 0.000 1.048 196 K CA 1.436 57.726 56.287 0.005 0.000 0.929 196 K CB -0.452 32.061 32.500 0.022 0.000 0.713 196 K HN 0.445 nan 8.250 nan 0.000 0.439 197 A N 0.673 123.500 122.820 0.012 0.000 1.908 197 A HA -0.199 4.122 4.320 0.001 0.000 0.218 197 A C 2.104 179.489 177.584 -0.332 0.000 1.181 197 A CA 1.588 53.635 52.037 0.017 0.000 0.627 197 A CB -0.782 18.378 19.000 0.267 0.000 0.818 197 A HN 0.428 nan 8.150 nan 0.000 0.445 198 F N 0.528 120.032 119.950 -0.744 0.000 2.113 198 F HA -0.114 4.413 4.527 0.001 0.000 0.297 198 F C 2.300 177.764 175.800 -0.560 0.000 1.103 198 F CA 1.886 59.172 58.000 -1.190 0.000 1.248 198 F CB -0.453 38.084 39.000 -0.771 0.000 0.999 198 F HN 0.205 nan 8.300 nan 0.000 0.475 199 R N 0.434 120.637 120.500 -0.495 0.000 2.083 199 R HA -0.189 4.152 4.340 0.001 0.000 0.237 199 R C 1.940 178.006 176.300 -0.390 0.000 1.137 199 R CA 2.229 58.044 56.100 -0.474 0.000 0.951 199 R CB -0.684 29.497 30.300 -0.199 0.000 0.851 199 R HN 0.300 nan 8.270 nan 0.000 0.434 200 D N 0.198 120.443 120.400 -0.259 0.000 2.117 200 D HA -0.150 4.490 4.640 0.001 0.000 0.197 200 D C 1.750 177.939 176.300 -0.186 0.000 0.987 200 D CA 1.541 55.441 54.000 -0.167 0.000 0.829 200 D CB -0.325 40.425 40.800 -0.084 0.000 0.961 200 D HN 0.403 nan 8.370 nan 0.000 0.460 201 A N 1.139 123.817 122.820 -0.237 0.000 1.902 201 A HA -0.017 4.304 4.320 0.001 0.000 0.217 201 A C 2.333 179.774 177.584 -0.239 0.000 1.181 201 A CA 2.142 54.083 52.037 -0.160 0.000 0.623 201 A CB -0.640 18.336 19.000 -0.040 0.000 0.818 201 A HN 0.242 nan 8.150 nan 0.000 0.443 202 A N -0.260 122.286 122.820 -0.457 0.000 1.873 202 A HA -0.170 4.151 4.320 0.001 0.000 0.215 202 A C 2.020 179.425 177.584 -0.299 0.000 1.186 202 A CA 1.840 53.608 52.037 -0.449 0.000 0.616 202 A CB -0.577 17.955 19.000 -0.779 0.000 0.823 202 A HN 0.671 nan 8.150 nan 0.000 0.442 203 E N 0.013 120.051 120.200 -0.269 0.000 2.038 203 E HA -0.267 4.083 4.350 0.001 0.000 0.195 203 E C 1.815 178.331 176.600 -0.140 0.000 1.000 203 E CA 1.650 57.945 56.400 -0.176 0.000 0.803 203 E CB -0.208 29.432 29.700 -0.101 0.000 0.750 203 E HN 0.577 nan 8.360 nan 0.000 0.448 204 N N 0.453 119.089 118.700 -0.106 0.000 2.137 204 N HA -0.205 4.535 4.740 0.001 0.000 0.190 204 N C 1.571 177.031 175.510 -0.084 0.000 1.017 204 N CA 1.598 54.608 53.050 -0.066 0.000 0.859 204 N CB -0.241 38.218 38.487 -0.047 0.000 1.002 204 N HN 0.074 nan 8.380 nan 0.000 0.428 205 K N 0.419 120.749 120.400 -0.116 0.000 2.025 205 K HA 0.045 4.365 4.320 0.001 0.000 0.207 205 K C 1.543 178.048 176.600 -0.158 0.000 1.049 205 K CA 0.863 57.083 56.287 -0.113 0.000 0.933 205 K CB -0.536 31.900 32.500 -0.107 0.000 0.714 205 K HN -0.027 nan 8.250 nan 0.000 0.438 206 L N 0.915 121.991 121.223 -0.244 0.000 2.093 206 L HA 0.073 4.413 4.340 0.001 0.000 0.208 206 L C 2.287 178.856 176.870 -0.501 0.000 1.085 206 L CA 1.904 56.516 54.840 -0.381 0.000 0.755 206 L CB -1.284 40.479 42.059 -0.494 0.000 0.904 206 L HN 0.324 nan 8.230 nan 0.000 0.435 207 A N -0.802 121.787 122.820 -0.385 0.000 2.024 207 A HA -0.187 4.133 4.320 0.001 0.000 0.220 207 A C 1.973 179.603 177.584 0.076 0.000 1.164 207 A CA 1.867 53.910 52.037 0.009 0.000 0.643 207 A CB -0.460 18.634 19.000 0.157 0.000 0.806 207 A HN 0.495 nan 8.150 nan 0.000 0.451 208 M N -0.951 118.637 119.600 -0.020 0.000 2.346 208 M HA 0.194 4.674 4.480 0.001 0.000 0.280 208 M C 0.598 176.876 176.300 -0.036 0.000 1.075 208 M CA -0.041 55.258 55.300 -0.000 0.000 0.989 208 M CB 0.318 32.912 32.600 -0.010 0.000 1.447 208 M HN 0.189 nan 8.290 nan 0.000 0.511 209 S N 1.377 117.020 115.700 -0.094 0.000 2.499 209 S HA 0.205 4.675 4.470 0.001 0.000 0.275 209 S C 1.207 175.686 174.600 -0.201 0.000 1.257 209 S CA -0.410 57.705 58.200 -0.143 0.000 1.050 209 S CB 0.823 63.911 63.200 -0.185 0.000 0.937 209 S HN 0.188 nan 8.310 nan 0.000 0.490 210 K N 3.488 123.806 120.400 -0.137 0.000 2.007 210 K HA 0.082 4.402 4.320 0.001 0.000 0.206 210 K C 0.959 177.430 176.600 -0.214 0.000 1.047 210 K CA 1.061 57.284 56.287 -0.106 0.000 0.937 210 K CB -0.138 32.344 32.500 -0.029 0.000 0.718 210 K HN 0.617 nan 8.250 nan 0.000 0.438 211 R N 0.255 120.654 120.500 -0.168 0.000 2.673 211 R HA 0.272 4.612 4.340 0.001 0.000 0.281 211 R C -1.280 174.939 176.300 -0.135 0.000 0.991 211 R CA -0.166 55.847 56.100 -0.144 0.000 0.896 211 R CB 1.965 32.222 30.300 -0.071 0.000 1.201 211 R HN -0.110 nan 8.270 nan 0.000 0.457 212 T N 1.689 116.174 114.554 -0.114 0.000 2.863 212 T HA 0.727 5.077 4.350 0.001 0.000 0.285 212 T C -1.159 173.498 174.700 -0.071 0.000 1.009 212 T CA -0.566 61.481 62.100 -0.088 0.000 0.989 212 T CB 1.729 70.554 68.868 -0.071 0.000 1.004 212 T HN 0.660 nan 8.240 nan 0.000 0.455 213 A N 2.606 125.377 122.820 -0.081 0.000 2.413 213 A HA 0.858 5.178 4.320 0.001 0.000 0.307 213 A C -1.243 176.275 177.584 -0.111 0.000 1.087 213 A CA -0.730 51.250 52.037 -0.096 0.000 0.750 213 A CB 1.232 20.163 19.000 -0.115 0.000 1.296 213 A HN 0.824 nan 8.150 nan 0.000 0.423 214 L N 2.064 123.204 121.223 -0.137 0.000 2.313 214 L HA 0.658 4.998 4.340 0.001 0.000 0.283 214 L C -1.648 175.191 176.870 -0.053 0.000 1.013 214 L CA -0.937 53.805 54.840 -0.163 0.000 0.816 214 L CB 1.467 43.309 42.059 -0.361 0.000 1.236 214 L HN 0.703 nan 8.230 nan 0.000 0.419 215 L N 5.354 126.571 121.223 -0.011 0.000 2.372 215 L HA 0.742 5.082 4.340 0.001 0.000 0.273 215 L C -0.672 176.250 176.870 0.087 0.000 0.989 215 L CA -0.089 54.778 54.840 0.044 0.000 0.841 215 L CB 1.396 43.456 42.059 0.002 0.000 1.225 215 L HN 0.616 nan 8.230 nan 0.000 0.414 216 A N 3.443 126.354 122.820 0.151 0.000 2.380 216 A HA 0.844 5.164 4.320 0.001 0.000 0.315 216 A C -1.208 176.411 177.584 0.059 0.000 1.101 216 A CA -0.443 51.643 52.037 0.082 0.000 0.771 216 A CB 1.436 20.471 19.000 0.059 0.000 1.287 216 A HN 0.694 nan 8.150 nan 0.000 0.436 217 D N -1.083 119.321 120.400 0.006 0.000 2.798 217 D HA 0.493 5.134 4.640 0.001 0.000 0.308 217 D C 1.100 177.430 176.300 0.049 0.000 1.187 217 D CA -0.037 54.005 54.000 0.070 0.000 1.033 217 D CB 0.485 41.363 40.800 0.131 0.000 1.445 217 D HN 0.445 nan 8.370 nan 0.000 0.550 218 F N 0.579 120.500 119.950 -0.048 0.000 2.135 218 F HA -0.235 4.292 4.527 0.000 0.000 0.300 218 F C 1.438 177.209 175.800 -0.049 0.000 1.074 218 F CA 1.454 59.431 58.000 -0.039 0.000 1.262 218 F CB -1.239 37.748 39.000 -0.023 0.000 1.013 218 F HN 0.261 nan 8.300 nan 0.000 0.489 219 L N 0.498 121.114 121.223 -1.013 0.000 2.187 219 L HA -0.158 4.182 4.340 0.001 0.000 0.213 219 L C 2.802 179.508 176.870 -0.274 0.000 1.100 219 L CA 1.287 55.665 54.840 -0.771 0.000 0.765 219 L CB -0.717 40.832 42.059 -0.850 0.000 0.904 219 L HN 0.434 nan 8.230 nan 0.000 0.437 220 V N -1.188 118.602 119.914 -0.206 0.000 2.667 220 V HA -0.171 3.949 4.120 0.001 0.000 0.252 220 V C 2.123 178.180 176.094 -0.061 0.000 1.065 220 V CA 1.207 63.445 62.300 -0.104 0.000 1.083 220 V CB -0.075 31.694 31.823 -0.091 0.000 0.692 220 V HN 0.333 nan 8.190 nan 0.000 0.468 221 L N -0.284 120.904 121.223 -0.058 0.000 2.027 221 L HA -0.016 4.324 4.340 0.001 0.000 0.206 221 L C 3.076 179.932 176.870 -0.023 0.000 1.074 221 L CA 1.477 56.299 54.840 -0.029 0.000 0.745 221 L CB -0.695 41.377 42.059 0.021 0.000 0.898 221 L HN 0.215 nan 8.230 nan 0.000 0.433 222 R N -0.345 120.144 120.500 -0.018 0.000 2.120 222 R HA -0.139 4.201 4.340 0.001 0.000 0.234 222 R C 1.502 177.708 176.300 -0.156 0.000 1.123 222 R CA 1.275 57.345 56.100 -0.051 0.000 0.975 222 R CB -0.887 29.390 30.300 -0.038 0.000 0.866 222 R HN 0.465 nan 8.270 nan 0.000 0.446 223 H N -0.741 118.262 119.070 -0.111 0.000 2.538 223 H HA 0.236 4.793 4.556 0.001 0.000 0.286 223 H C 0.689 175.965 175.328 -0.087 0.000 1.035 223 H CA 0.464 56.453 56.048 -0.099 0.000 1.169 223 H CB 0.101 29.787 29.762 -0.127 0.000 1.417 223 H HN 0.424 nan 8.280 nan 0.000 0.567 224 G N 1.059 109.841 108.800 -0.030 0.000 2.323 224 G HA2 -0.286 3.674 3.960 0.001 0.000 0.292 224 G HA3 -0.286 3.674 3.960 0.001 0.000 0.292 224 G C 0.357 175.224 174.900 -0.056 0.000 1.040 224 G CA 0.421 45.482 45.100 -0.065 0.000 0.942 224 G HN 0.484 nan 8.290 nan 0.000 0.506 225 L N -0.904 120.299 121.223 -0.034 0.000 3.017 225 L HA 0.326 4.666 4.340 0.001 0.000 0.255 225 L C 2.103 178.966 176.870 -0.012 0.000 1.247 225 L CA 0.108 54.942 54.840 -0.010 0.000 1.038 225 L CB 0.415 42.480 42.059 0.009 0.000 1.380 225 L HN 0.296 nan 8.230 nan 0.000 0.548 226 K N 0.169 120.528 120.400 -0.067 0.000 2.026 226 K HA -0.173 4.147 4.320 0.001 0.000 0.208 226 K C 1.745 178.391 176.600 0.077 0.000 1.048 226 K CA 1.640 57.892 56.287 -0.058 0.000 0.929 226 K CB -0.010 32.428 32.500 -0.102 0.000 0.713 226 K HN 0.496 nan 8.250 nan 0.000 0.439 227 H N -0.705 118.373 119.070 0.013 0.000 2.353 227 H HA -0.079 4.478 4.556 0.001 0.000 0.300 227 H C 2.080 177.449 175.328 0.069 0.000 1.090 227 H CA 0.623 56.693 56.048 0.037 0.000 1.327 227 H CB 0.054 29.834 29.762 0.031 0.000 1.383 227 H HN 0.384 nan 8.280 nan 0.000 0.508 228 A N 0.915 123.853 122.820 0.197 0.000 1.908 228 A HA -0.170 4.150 4.320 0.001 0.000 0.218 228 A C 2.218 179.953 177.584 0.251 0.000 1.181 228 A CA 1.407 53.544 52.037 0.167 0.000 0.627 228 A CB -0.538 18.529 19.000 0.110 0.000 0.818 228 A HN 0.200 nan 8.150 nan 0.000 0.445 229 L N -0.562 120.808 121.223 0.245 0.000 2.109 229 L HA -0.137 4.203 4.340 0.001 0.000 0.207 229 L C 2.747 179.840 176.870 0.372 0.000 1.086 229 L CA 1.715 56.759 54.840 0.339 0.000 0.760 229 L CB -0.561 41.582 42.059 0.141 0.000 0.910 229 L HN 0.447 nan 8.230 nan 0.000 0.437 230 Q N -0.569 119.394 119.800 0.271 0.000 2.050 230 Q HA -0.283 4.057 4.340 0.001 0.000 0.202 230 Q C 2.223 178.344 176.000 0.201 0.000 0.980 230 Q CA 1.755 57.722 55.803 0.274 0.000 0.840 230 Q CB -0.252 28.601 28.738 0.190 0.000 0.898 230 Q HN 0.383 nan 8.270 nan 0.000 0.424 231 K N 0.192 120.702 120.400 0.184 0.000 2.032 231 K HA -0.227 4.094 4.320 0.001 0.000 0.209 231 K C 1.894 178.627 176.600 0.221 0.000 1.048 231 K CA 1.455 57.831 56.287 0.150 0.000 0.927 231 K CB -0.259 32.313 32.500 0.120 0.000 0.712 231 K HN 0.265 nan 8.250 nan 0.000 0.441 232 W N 1.335 122.665 121.300 0.049 0.000 2.298 232 W HA -0.264 4.396 4.660 0.000 0.000 0.328 232 W C 1.906 178.420 176.519 -0.008 0.000 1.259 232 W CA 1.572 58.937 57.345 0.034 0.000 1.251 232 W CB -1.136 28.360 29.460 0.060 0.000 1.161 232 W HN -0.001 nan 8.180 nan 0.000 0.466 233 V N 1.837 121.789 119.914 0.064 0.000 2.688 233 V HA -0.266 3.855 4.120 0.001 0.000 0.256 233 V C 2.577 178.590 176.094 -0.135 0.000 1.084 233 V CA 2.659 64.794 62.300 -0.276 0.000 1.103 233 V CB -0.714 30.666 31.823 -0.739 0.000 0.688 233 V HN 0.279 nan 8.190 nan 0.000 0.480 234 K N -0.441 119.956 120.400 -0.006 0.000 2.044 234 K HA -0.144 4.177 4.320 0.001 0.000 0.204 234 K C 2.078 178.701 176.600 0.038 0.000 1.049 234 K CA 1.710 58.001 56.287 0.008 0.000 0.945 234 K CB -0.122 32.397 32.500 0.032 0.000 0.724 234 K HN 0.603 nan 8.250 nan 0.000 0.440 235 E N -0.138 120.113 120.200 0.085 0.000 2.072 235 E HA -0.064 4.286 4.350 0.001 0.000 0.190 235 E C -0.127 176.534 176.600 0.102 0.000 0.982 235 E CA 0.731 57.184 56.400 0.088 0.000 0.803 235 E CB 0.463 30.223 29.700 0.100 0.000 0.755 235 E HN -0.000 nan 8.360 nan 0.000 0.453 236 V N 3.236 123.242 119.914 0.154 0.000 2.250 236 V HA 0.199 4.319 4.120 0.001 0.000 0.268 236 V C -2.460 173.671 176.094 0.061 0.000 1.043 236 V CA -1.690 60.700 62.300 0.151 0.000 0.814 236 V CB 0.615 32.612 31.823 0.291 0.000 1.072 236 V HN 0.000 nan 8.190 nan 0.000 0.451 237 P HA 0.271 nan 4.420 nan 0.000 0.263 237 P C -0.289 177.019 177.300 0.013 0.000 1.195 237 P CA 0.405 63.505 63.100 -0.000 0.000 0.762 237 P CB 0.351 32.064 31.700 0.022 0.000 0.799 238 M N 0.639 120.234 119.600 -0.007 0.000 2.895 238 M HA 0.700 5.180 4.480 0.001 0.000 0.271 238 M C -1.541 174.821 176.300 0.102 0.000 1.174 238 M CA -1.356 53.958 55.300 0.024 0.000 0.816 238 M CB 1.541 34.124 32.600 -0.029 0.000 1.647 238 M HN 0.144 nan 8.290 nan 0.000 0.506 239 A N 1.958 124.835 122.820 0.095 0.000 2.488 239 A HA 0.583 4.904 4.320 0.001 0.000 0.249 239 A C -0.569 177.043 177.584 0.047 0.000 1.083 239 A CA 0.257 52.372 52.037 0.131 0.000 0.768 239 A CB -0.397 18.617 19.000 0.023 0.000 1.017 239 A HN 1.017 nan 8.150 nan 0.000 0.496 240 H N -0.559 118.403 119.070 -0.180 0.000 3.046 240 H HA 0.827 5.383 4.556 0.001 0.000 0.363 240 H C -0.835 174.311 175.328 -0.303 0.000 1.203 240 H CA -0.381 55.491 56.048 -0.294 0.000 1.169 240 H CB 1.098 30.538 29.762 -0.537 0.000 1.851 240 H HN 1.139 nan 8.280 nan 0.000 0.546 241 A N 1.337 124.083 122.820 -0.124 0.000 2.557 241 A HA 0.747 5.067 4.320 0.001 0.000 0.292 241 A C -0.602 177.154 177.584 0.287 0.000 1.139 241 A CA -0.182 51.808 52.037 -0.079 0.000 0.665 241 A CB 1.417 20.271 19.000 -0.243 0.000 1.285 241 A HN 1.243 nan 8.150 nan 0.000 0.433 242 T N -1.972 112.770 114.554 0.313 0.000 2.838 242 T HA 0.762 5.112 4.350 0.001 0.000 0.292 242 T C -0.049 174.788 174.700 0.229 0.000 1.113 242 T CA -0.631 61.635 62.100 0.276 0.000 1.008 242 T CB 1.109 70.131 68.868 0.258 0.000 1.259 242 T HN 0.651 nan 8.240 nan 0.000 0.520 243 M N 0.953 120.667 119.600 0.190 0.000 2.679 243 M HA 0.434 4.914 4.480 0.001 0.000 0.287 243 M C 1.643 178.008 176.300 0.109 0.000 1.202 243 M CA -1.043 54.355 55.300 0.163 0.000 0.911 243 M CB 1.039 33.731 32.600 0.154 0.000 1.556 243 M HN 0.636 nan 8.290 nan 0.000 0.511 244 L N 0.670 121.943 121.223 0.084 0.000 2.021 244 L HA -0.302 4.039 4.340 0.001 0.000 0.215 244 L C 2.318 179.251 176.870 0.104 0.000 1.074 244 L CA 2.051 56.940 54.840 0.082 0.000 0.760 244 L CB -0.188 41.929 42.059 0.097 0.000 0.889 244 L HN 0.743 nan 8.230 nan 0.000 0.433 245 M N -1.201 118.440 119.600 0.068 0.000 2.108 245 M HA -0.166 4.315 4.480 0.001 0.000 0.261 245 M C 1.809 178.198 176.300 0.148 0.000 1.066 245 M CA 1.945 57.274 55.300 0.049 0.000 1.107 245 M CB -0.653 31.876 32.600 -0.118 0.000 1.356 245 M HN 0.390 nan 8.290 nan 0.000 0.406 246 G N -0.218 108.676 108.800 0.158 0.000 2.985 246 G HA2 -0.015 3.946 3.960 0.001 0.000 0.209 246 G HA3 -0.015 3.946 3.960 0.001 0.000 0.209 246 G C 0.423 175.373 174.900 0.082 0.000 1.165 246 G CA -0.335 44.847 45.100 0.136 0.000 0.776 246 G HN 0.295 nan 8.290 nan 0.000 0.541 247 K N 0.552 120.994 120.400 0.069 0.000 2.491 247 K HA 0.289 4.609 4.320 0.001 0.000 0.279 247 K C 1.331 177.916 176.600 -0.025 0.000 1.026 247 K CA 1.073 57.321 56.287 -0.066 0.000 1.070 247 K CB -0.042 32.224 32.500 -0.390 0.000 0.887 247 K HN 0.240 nan 8.250 nan 0.000 0.481 248 G N 3.509 112.275 108.800 -0.057 0.000 2.284 248 G HA2 -0.236 3.725 3.960 0.001 0.000 0.201 248 G HA3 -0.236 3.725 3.960 0.001 0.000 0.201 248 G C 0.661 175.536 174.900 -0.041 0.000 0.998 248 G CA 0.176 45.272 45.100 -0.007 0.000 0.651 248 G HN 0.738 nan 8.290 nan 0.000 0.489 249 I N -1.907 118.588 120.570 -0.125 0.000 2.546 249 I HA 0.455 4.625 4.170 0.001 0.000 0.255 249 I C 0.610 176.540 176.117 -0.313 0.000 1.163 249 I CA 0.454 61.592 61.300 -0.271 0.000 1.457 249 I CB -0.138 37.575 38.000 -0.480 0.000 1.092 249 I HN -0.033 nan 8.210 nan 0.000 0.434 250 F N 1.616 121.577 119.950 0.018 0.000 2.507 250 F HA 0.399 4.927 4.527 0.001 0.000 0.327 250 F C 0.122 175.838 175.800 -0.139 0.000 1.068 250 F CA -1.469 56.527 58.000 -0.007 0.000 0.965 250 F CB 0.656 39.716 39.000 0.099 0.000 1.192 250 F HN -0.143 nan 8.300 nan 0.000 0.476 251 D N 1.876 122.354 120.400 0.131 0.000 2.383 251 D HA 0.045 4.686 4.640 0.001 0.000 0.245 251 D C 0.563 176.731 176.300 -0.220 0.000 1.263 251 D CA 0.204 54.177 54.000 -0.045 0.000 0.936 251 D CB 0.309 41.107 40.800 -0.003 0.000 1.053 251 D HN 0.611 nan 8.370 nan 0.000 0.507 252 E N 2.497 122.413 120.200 -0.473 0.000 2.533 252 E HA -0.068 4.282 4.350 0.001 0.000 0.201 252 E C 1.128 177.489 176.600 -0.397 0.000 1.097 252 E CA 0.282 56.117 56.400 -0.942 0.000 0.887 252 E CB 0.319 29.307 29.700 -1.186 0.000 0.855 252 E HN 0.443 nan 8.360 nan 0.000 0.540 253 R N 0.346 120.722 120.500 -0.207 0.000 2.312 253 R HA 0.067 4.408 4.340 0.001 0.000 0.205 253 R C 0.659 176.917 176.300 -0.069 0.000 0.904 253 R CA 0.068 56.105 56.100 -0.105 0.000 1.052 253 R CB 0.336 30.590 30.300 -0.077 0.000 1.014 253 R HN 0.087 nan 8.270 nan 0.000 0.503 254 Q N 0.675 120.439 119.800 -0.059 0.000 2.396 254 Q HA 0.301 4.641 4.340 0.001 0.000 0.221 254 Q C -0.087 175.904 176.000 -0.014 0.000 1.025 254 Q CA -0.142 55.652 55.803 -0.016 0.000 0.946 254 Q CB 0.512 29.262 28.738 0.021 0.000 1.224 254 Q HN 0.112 nan 8.270 nan 0.000 0.539 255 A N -0.350 122.465 122.820 -0.009 0.000 2.440 255 A HA 0.476 4.796 4.320 0.001 0.000 0.251 255 A C 1.048 178.636 177.584 0.007 0.000 1.089 255 A CA 0.720 52.733 52.037 -0.040 0.000 0.779 255 A CB -0.357 18.632 19.000 -0.019 0.000 1.022 255 A HN 0.907 nan 8.150 nan 0.000 0.492 256 G N 0.546 109.248 108.800 -0.164 0.000 2.213 256 G HA2 -0.204 3.756 3.960 0.001 0.000 0.226 256 G HA3 -0.204 3.756 3.960 0.001 0.000 0.226 256 G C 0.010 174.606 174.900 -0.507 0.000 0.992 256 G CA 0.255 45.286 45.100 -0.116 0.000 0.632 256 G HN 1.185 nan 8.290 nan 0.000 0.511 257 F N 1.664 121.160 119.950 -0.757 0.000 2.404 257 F HA 0.694 5.222 4.527 0.000 0.000 0.354 257 F C 0.769 176.181 175.800 -0.646 0.000 1.122 257 F CA -1.067 56.488 58.000 -0.742 0.000 1.080 257 F CB 0.874 39.541 39.000 -0.554 0.000 1.131 257 F HN 0.030 nan 8.300 nan 0.000 0.471 258 Y N 3.461 123.430 120.300 -0.550 0.000 2.481 258 Y HA 0.542 5.093 4.550 0.001 0.000 0.247 258 Y C 0.976 176.722 175.900 -0.257 0.000 1.151 258 Y CA -0.080 57.860 58.100 -0.265 0.000 1.238 258 Y CB 0.332 38.659 38.460 -0.221 0.000 1.179 258 Y HN 0.741 nan 8.280 nan 0.000 0.524 259 G N -0.554 107.974 108.800 -0.454 0.000 2.353 259 G HA2 0.027 3.987 3.960 0.001 0.000 0.424 259 G HA3 0.027 3.987 3.960 0.001 0.000 0.424 259 G C -1.051 173.690 174.900 -0.264 0.000 1.320 259 G CA -1.131 43.900 45.100 -0.114 0.000 0.995 259 G HN -0.180 nan 8.290 nan 0.000 0.580 260 T N 0.660 115.235 114.554 0.034 0.000 2.869 260 T HA 0.472 4.822 4.350 0.001 0.000 0.295 260 T C -0.426 174.315 174.700 0.069 0.000 0.987 260 T CA 0.233 62.377 62.100 0.074 0.000 1.109 260 T CB 0.983 69.904 68.868 0.088 0.000 0.932 260 T HN 0.632 nan 8.240 nan 0.000 0.518 261 Y N 2.847 123.133 120.300 -0.024 0.000 2.316 261 Y HA 0.415 4.965 4.550 0.001 0.000 0.331 261 Y C 0.407 176.331 175.900 0.040 0.000 1.083 261 Y CA -0.858 57.242 58.100 -0.001 0.000 1.206 261 Y CB 0.748 39.219 38.460 0.019 0.000 1.195 261 Y HN 0.606 nan 8.280 nan 0.000 0.497 262 S N 3.995 119.297 115.700 -0.664 0.000 2.630 262 S HA 0.527 4.998 4.470 0.001 0.000 0.173 262 S C 0.244 174.506 174.600 -0.564 0.000 1.048 262 S CA -0.398 57.496 58.200 -0.510 0.000 1.172 262 S CB -0.281 62.797 63.200 -0.203 0.000 1.638 262 S HN 1.620 nan 8.310 nan 0.000 0.429 263 G N 2.979 111.195 108.800 -0.974 0.000 2.564 263 G HA2 -0.350 3.610 3.960 0.001 0.000 0.273 263 G HA3 -0.350 3.610 3.960 0.001 0.000 0.273 263 G C 1.036 175.807 174.900 -0.214 0.000 1.242 263 G CA 0.694 45.553 45.100 -0.401 0.000 0.951 263 G HN 1.780 nan 8.290 nan 0.000 0.564 264 S N -0.251 115.395 115.700 -0.090 0.000 2.474 264 S HA 0.266 4.736 4.470 0.001 0.000 0.235 264 S C 2.344 176.899 174.600 -0.076 0.000 0.997 264 S CA 1.581 59.748 58.200 -0.056 0.000 0.949 264 S CB -0.189 62.989 63.200 -0.037 0.000 0.766 264 S HN 2.102 nan 8.310 nan 0.000 0.517 265 A N 1.022 123.774 122.820 -0.113 0.000 2.235 265 A HA 0.397 4.717 4.320 0.001 0.000 0.208 265 A C 1.232 178.757 177.584 -0.098 0.000 1.172 265 A CA -0.050 51.924 52.037 -0.105 0.000 0.786 265 A CB -0.403 18.520 19.000 -0.128 0.000 0.804 265 A HN 0.459 nan 8.150 nan 0.000 0.479 266 S N 0.443 116.077 115.700 -0.111 0.000 2.608 266 S HA 0.362 4.832 4.470 0.001 0.000 0.261 266 S C 0.842 175.422 174.600 -0.033 0.000 1.314 266 S CA 0.115 58.271 58.200 -0.073 0.000 0.992 266 S CB 0.640 63.812 63.200 -0.046 0.000 0.935 266 S HN 0.666 nan 8.310 nan 0.000 0.564 267 T N -0.903 113.641 114.554 -0.016 0.000 2.868 267 T HA 0.368 4.718 4.350 0.001 0.000 0.292 267 T C 1.598 176.289 174.700 -0.014 0.000 1.028 267 T CA -0.336 61.757 62.100 -0.011 0.000 1.059 267 T CB 0.597 69.465 68.868 0.000 0.000 0.991 267 T HN 0.583 nan 8.240 nan 0.000 0.531 268 G N 0.489 109.278 108.800 -0.019 0.000 2.442 268 G HA2 -0.072 3.889 3.960 0.001 0.000 0.219 268 G HA3 -0.072 3.889 3.960 0.001 0.000 0.219 268 G C 1.712 176.578 174.900 -0.057 0.000 1.141 268 G CA 0.799 45.880 45.100 -0.031 0.000 0.763 268 G HN 1.089 nan 8.290 nan 0.000 0.554 269 A N 0.170 122.957 122.820 -0.056 0.000 1.858 269 A HA 0.033 4.353 4.320 0.001 0.000 0.216 269 A C 2.638 180.108 177.584 -0.190 0.000 1.190 269 A CA 2.031 54.000 52.037 -0.114 0.000 0.617 269 A CB -0.826 18.163 19.000 -0.017 0.000 0.827 269 A HN 0.278 nan 8.150 nan 0.000 0.443 270 V N 0.315 120.175 119.914 -0.089 0.000 2.295 270 V HA -0.296 3.825 4.120 0.001 0.000 0.246 270 V C 2.554 178.619 176.094 -0.049 0.000 1.049 270 V CA 2.458 64.712 62.300 -0.077 0.000 1.024 270 V CB -0.739 31.088 31.823 0.007 0.000 0.648 270 V HN 0.678 nan 8.190 nan 0.000 0.447 271 K N -0.489 119.918 120.400 0.011 0.000 2.074 271 K HA -0.255 4.065 4.320 0.001 0.000 0.209 271 K C 2.268 178.843 176.600 -0.041 0.000 1.048 271 K CA 1.756 58.072 56.287 0.050 0.000 0.926 271 K CB -0.097 32.424 32.500 0.034 0.000 0.713 271 K HN 0.361 nan 8.250 nan 0.000 0.444 272 E N -0.000 120.137 120.200 -0.105 0.000 2.072 272 E HA -0.090 4.261 4.350 0.001 0.000 0.190 272 E C 1.873 178.351 176.600 -0.204 0.000 0.982 272 E CA 1.079 57.394 56.400 -0.141 0.000 0.803 272 E CB -0.139 29.469 29.700 -0.154 0.000 0.755 272 E HN 0.399 nan 8.360 nan 0.000 0.453 273 A N 1.055 123.685 122.820 -0.316 0.000 1.933 273 A HA -0.155 4.166 4.320 0.001 0.000 0.218 273 A C 2.079 179.517 177.584 -0.242 0.000 1.175 273 A CA 1.198 53.004 52.037 -0.385 0.000 0.628 273 A CB -0.236 18.356 19.000 -0.681 0.000 0.814 273 A HN 0.154 nan 8.150 nan 0.000 0.444 274 I N -0.862 119.575 120.570 -0.221 0.000 2.522 274 I HA -0.029 4.141 4.170 0.001 0.000 0.240 274 I C 2.150 178.149 176.117 -0.197 0.000 1.078 274 I CA 0.971 62.125 61.300 -0.243 0.000 1.422 274 I CB -1.773 35.981 38.000 -0.410 0.000 1.188 274 I HN 0.362 nan 8.210 nan 0.000 0.442 275 E N 0.911 121.020 120.200 -0.151 0.000 2.338 275 E HA -0.109 4.241 4.350 0.001 0.000 0.197 275 E C 2.097 178.648 176.600 -0.080 0.000 1.007 275 E CA 0.879 57.227 56.400 -0.088 0.000 0.849 275 E CB -0.180 29.516 29.700 -0.007 0.000 0.774 275 E HN 0.558 nan 8.360 nan 0.000 0.506 276 G N 1.078 109.820 108.800 -0.097 0.000 2.511 276 G HA2 0.044 4.004 3.960 0.001 0.000 0.217 276 G HA3 0.044 4.004 3.960 0.001 0.000 0.217 276 G C 0.622 175.470 174.900 -0.086 0.000 1.133 276 G CA 0.334 45.382 45.100 -0.088 0.000 0.792 276 G HN 0.269 nan 8.290 nan 0.000 0.539 277 A N 1.298 124.059 122.820 -0.098 0.000 2.407 277 A HA 0.371 4.691 4.320 0.001 0.000 0.248 277 A C 1.306 178.843 177.584 -0.078 0.000 1.082 277 A CA 0.307 52.290 52.037 -0.090 0.000 0.785 277 A CB 0.426 19.367 19.000 -0.098 0.000 1.020 277 A HN 0.369 nan 8.150 nan 0.000 0.489 278 D N 0.467 120.822 120.400 -0.075 0.000 2.347 278 D HA -0.048 4.592 4.640 0.001 0.000 0.215 278 D C 0.426 176.686 176.300 -0.067 0.000 0.976 278 D CA 1.279 55.239 54.000 -0.066 0.000 0.884 278 D CB -0.197 40.566 40.800 -0.062 0.000 0.915 278 D HN 0.567 nan 8.370 nan 0.000 0.526 279 T N -1.739 112.770 114.554 -0.075 0.000 3.109 279 T HA 0.431 4.781 4.350 0.001 0.000 0.311 279 T C -1.039 173.625 174.700 -0.061 0.000 1.011 279 T CA -0.921 61.139 62.100 -0.066 0.000 1.026 279 T CB 1.927 70.748 68.868 -0.079 0.000 1.047 279 T HN -0.042 nan 8.240 nan 0.000 0.448 280 V N 5.923 125.809 119.914 -0.045 0.000 2.448 280 V HA 0.670 4.790 4.120 0.001 0.000 0.295 280 V C -0.864 175.230 176.094 -0.000 0.000 1.025 280 V CA -1.198 61.077 62.300 -0.042 0.000 0.859 280 V CB 1.233 33.017 31.823 -0.066 0.000 0.988 280 V HN 0.988 nan 8.190 nan 0.000 0.431 281 L N 6.748 127.976 121.223 0.008 0.000 2.283 281 L HA 0.437 4.777 4.340 0.001 0.000 0.287 281 L C -0.382 176.526 176.870 0.064 0.000 1.073 281 L CA -0.285 54.593 54.840 0.063 0.000 0.822 281 L CB 0.800 42.924 42.059 0.108 0.000 1.186 281 L HN 0.598 nan 8.230 nan 0.000 0.436 282 C N 4.306 123.664 119.300 0.096 0.000 2.223 282 C HA 0.450 4.911 4.460 0.001 0.000 0.324 282 C C 0.510 175.543 174.990 0.073 0.000 1.196 282 C CA -0.806 58.274 59.018 0.103 0.000 1.628 282 C CB 0.130 27.981 27.740 0.185 0.000 2.229 282 C HN 0.488 nan 8.230 nan 0.000 0.486 283 V N 3.300 123.244 119.914 0.051 0.000 2.370 283 V HA 0.663 4.783 4.120 0.001 0.000 0.283 283 V C 0.986 177.047 176.094 -0.056 0.000 1.023 283 V CA 0.507 62.825 62.300 0.030 0.000 0.857 283 V CB 0.997 32.879 31.823 0.099 0.000 0.985 283 V HN 1.148 nan 8.190 nan 0.000 0.443 284 G N 3.364 112.089 108.800 -0.124 0.000 2.283 284 G HA2 -0.253 3.707 3.960 0.001 0.000 0.280 284 G HA3 -0.253 3.707 3.960 0.001 0.000 0.280 284 G C 0.326 175.080 174.900 -0.244 0.000 1.029 284 G CA 0.730 45.677 45.100 -0.254 0.000 0.840 284 G HN 0.904 nan 8.290 nan 0.000 0.505 285 T N -1.101 113.349 114.554 -0.173 0.000 2.909 285 T HA 0.684 5.034 4.350 0.001 0.000 0.286 285 T C 0.144 174.691 174.700 -0.255 0.000 1.002 285 T CA -0.383 61.568 62.100 -0.249 0.000 1.074 285 T CB 0.751 69.407 68.868 -0.354 0.000 0.984 285 T HN 0.415 nan 8.240 nan 0.000 0.495 286 R N 3.084 123.411 120.500 -0.288 0.000 2.569 286 R HA 0.359 4.699 4.340 0.001 0.000 0.293 286 R C -1.458 174.710 176.300 -0.221 0.000 1.186 286 R CA -0.516 55.517 56.100 -0.111 0.000 0.956 286 R CB 0.251 30.682 30.300 0.219 0.000 1.196 286 R HN 0.564 nan 8.270 nan 0.000 0.444 287 F N 2.792 122.809 119.950 0.113 0.000 2.652 287 F HA 0.159 4.686 4.527 0.001 0.000 0.352 287 F C 1.189 177.091 175.800 0.170 0.000 1.259 287 F CA -0.277 57.745 58.000 0.037 0.000 1.249 287 F CB -0.117 38.786 39.000 -0.161 0.000 1.628 287 F HN 0.314 nan 8.300 nan 0.000 0.654 288 T N -2.856 111.827 114.554 0.216 0.000 2.788 288 T HA 0.072 4.423 4.350 0.001 0.000 0.287 288 T C 1.347 176.023 174.700 -0.039 0.000 1.007 288 T CA -0.466 61.747 62.100 0.188 0.000 1.005 288 T CB 1.095 70.005 68.868 0.071 0.000 1.012 288 T HN 0.476 nan 8.240 nan 0.000 0.530 289 D N 0.689 120.901 120.400 -0.314 0.000 2.117 289 D HA -0.184 4.456 4.640 0.001 0.000 0.197 289 D C 1.964 178.009 176.300 -0.423 0.000 0.987 289 D CA 2.069 55.548 54.000 -0.868 0.000 0.829 289 D CB -1.392 38.954 40.800 -0.758 0.000 0.961 289 D HN 0.736 nan 8.370 nan 0.000 0.460 290 T N -0.924 113.503 114.554 -0.212 0.000 2.821 290 T HA -0.077 4.273 4.350 0.001 0.000 0.267 290 T C 2.025 176.675 174.700 -0.083 0.000 1.046 290 T CA 0.571 62.594 62.100 -0.128 0.000 1.139 290 T CB -0.444 68.429 68.868 0.008 0.000 0.871 290 T HN 0.026 nan 8.240 nan 0.000 0.454 291 L N 2.230 123.422 121.223 -0.053 0.000 2.395 291 L HA 0.172 4.513 4.340 0.001 0.000 0.218 291 L C 2.419 179.253 176.870 -0.060 0.000 1.130 291 L CA 1.449 56.279 54.840 -0.015 0.000 0.826 291 L CB -0.624 41.447 42.059 0.020 0.000 0.941 291 L HN 0.632 nan 8.230 nan 0.000 0.451 292 T N -4.633 109.859 114.554 -0.103 0.000 3.132 292 T HA 0.530 4.880 4.350 0.001 0.000 0.274 292 T C 0.839 175.460 174.700 -0.131 0.000 1.011 292 T CA 0.099 62.143 62.100 -0.094 0.000 0.899 292 T CB 0.139 69.027 68.868 0.034 0.000 1.089 292 T HN 0.192 nan 8.240 nan 0.000 0.543 293 A N 0.585 123.289 122.820 -0.194 0.000 2.667 293 A HA 0.251 4.571 4.320 0.001 0.000 0.298 293 A C 1.505 178.977 177.584 -0.187 0.000 1.483 293 A CA 0.690 52.608 52.037 -0.197 0.000 0.738 293 A CB -2.246 16.659 19.000 -0.159 0.000 1.067 293 A HN 2.299 nan 8.150 nan 0.000 0.451 294 G N -1.503 107.110 108.800 -0.311 0.000 2.182 294 G HA2 0.047 4.007 3.960 0.001 0.000 0.248 294 G HA3 0.047 4.007 3.960 0.001 0.000 0.248 294 G C 0.392 175.209 174.900 -0.139 0.000 1.042 294 G CA 0.241 45.150 45.100 -0.317 0.000 0.775 294 G HN 2.066 nan 8.290 nan 0.000 0.501 295 F N -1.646 118.366 119.950 0.105 0.000 3.040 295 F HA -0.236 4.291 4.527 0.000 0.000 0.298 295 F C 1.643 177.517 175.800 0.124 0.000 0.948 295 F CA 1.780 59.910 58.000 0.216 0.000 1.022 295 F CB -2.542 36.551 39.000 0.155 0.000 1.023 295 F HN 0.831 nan 8.300 nan 0.000 0.742 296 T N -3.176 111.506 114.554 0.213 0.000 3.186 296 T HA 0.129 4.479 4.350 0.001 0.000 0.257 296 T C 0.552 175.286 174.700 0.057 0.000 1.029 296 T CA 0.088 62.229 62.100 0.070 0.000 0.916 296 T CB -0.347 68.527 68.868 0.009 0.000 1.041 296 T HN 0.537 nan 8.240 nan 0.000 0.562 297 H N 0.858 119.929 119.070 0.001 0.000 2.683 297 H HA 0.347 4.903 4.556 0.001 0.000 0.339 297 H C -0.509 174.814 175.328 -0.007 0.000 1.081 297 H CA -0.742 55.317 56.048 0.018 0.000 1.432 297 H CB 0.641 30.392 29.762 -0.019 0.000 1.462 297 H HN 0.128 nan 8.280 nan 0.000 0.557 298 Q N 4.145 123.961 119.800 0.026 0.000 2.730 298 Q HA 0.378 4.719 4.340 0.001 0.000 0.244 298 Q C -0.447 175.522 176.000 -0.052 0.000 1.176 298 Q CA -0.181 55.585 55.803 -0.061 0.000 1.024 298 Q CB 0.578 29.303 28.738 -0.021 0.000 1.215 298 Q HN 0.563 nan 8.270 nan 0.000 0.542 299 L N 1.131 122.294 121.223 -0.100 0.000 2.410 299 L HA 0.550 4.891 4.340 0.001 0.000 0.270 299 L C 0.295 177.119 176.870 -0.077 0.000 0.983 299 L CA -0.765 54.033 54.840 -0.069 0.000 0.822 299 L CB 2.236 44.261 42.059 -0.056 0.000 1.285 299 L HN 0.240 nan 8.230 nan 0.000 0.409 300 T N -1.428 113.096 114.554 -0.051 0.000 2.940 300 T HA 0.478 4.829 4.350 0.001 0.000 0.288 300 T C -2.240 172.450 174.700 -0.018 0.000 1.033 300 T CA -2.049 60.027 62.100 -0.040 0.000 1.033 300 T CB 2.241 71.086 68.868 -0.039 0.000 1.079 300 T HN 0.206 nan 8.240 nan 0.000 0.496 301 P HA -0.080 nan 4.420 nan 0.000 0.214 301 P C 1.725 179.015 177.300 -0.017 0.000 1.163 301 P CA 1.802 64.900 63.100 -0.003 0.000 0.889 301 P CB -0.290 31.414 31.700 0.007 0.000 0.790 302 A N -0.140 122.669 122.820 -0.018 0.000 1.933 302 A HA -0.270 4.050 4.320 0.001 0.000 0.218 302 A C 2.305 179.873 177.584 -0.027 0.000 1.175 302 A CA 1.834 53.859 52.037 -0.021 0.000 0.628 302 A CB -1.450 17.538 19.000 -0.020 0.000 0.814 302 A HN 0.283 nan 8.150 nan 0.000 0.444 303 Q N 0.098 119.881 119.800 -0.028 0.000 2.435 303 Q HA -0.037 4.303 4.340 0.001 0.000 0.207 303 Q C 0.541 176.525 176.000 -0.028 0.000 0.956 303 Q CA 1.229 57.012 55.803 -0.033 0.000 0.917 303 Q CB -0.143 28.572 28.738 -0.038 0.000 0.997 303 Q HN 0.682 nan 8.270 nan 0.000 0.497 304 T N -2.353 112.191 114.554 -0.017 0.000 2.940 304 T HA 0.673 5.023 4.350 0.001 0.000 0.288 304 T C -0.316 174.380 174.700 -0.006 0.000 1.045 304 T CA -0.921 61.179 62.100 -0.001 0.000 1.018 304 T CB 1.599 70.485 68.868 0.030 0.000 1.151 304 T HN 0.156 nan 8.240 nan 0.000 0.529 305 I N 1.623 122.205 120.570 0.019 0.000 2.497 305 I HA 0.363 4.534 4.170 0.001 0.000 0.284 305 I C -0.479 175.674 176.117 0.061 0.000 1.060 305 I CA -0.746 60.578 61.300 0.039 0.000 1.071 305 I CB 1.794 39.835 38.000 0.068 0.000 1.216 305 I HN 0.886 nan 8.210 nan 0.000 0.442 306 E N 6.446 126.647 120.200 0.002 0.000 2.227 306 E HA 0.703 5.053 4.350 0.001 0.000 0.268 306 E C -1.138 175.466 176.600 0.007 0.000 0.907 306 E CA -0.920 55.496 56.400 0.027 0.000 0.786 306 E CB 2.937 32.670 29.700 0.055 0.000 1.191 306 E HN 0.315 nan 8.360 nan 0.000 0.411 307 V N 0.393 120.327 119.914 0.032 0.000 2.487 307 V HA 0.509 4.629 4.120 0.001 0.000 0.298 307 V C -0.843 175.234 176.094 -0.029 0.000 1.028 307 V CA -0.641 61.649 62.300 -0.017 0.000 0.860 307 V CB 1.493 33.294 31.823 -0.036 0.000 0.991 307 V HN 0.699 nan 8.190 nan 0.000 0.427 308 Q N 4.065 123.857 119.800 -0.014 0.000 2.418 308 Q HA 0.549 4.889 4.340 0.001 0.000 0.276 308 Q C -2.080 173.770 176.000 -0.249 0.000 1.081 308 Q CA -2.103 53.645 55.803 -0.092 0.000 0.864 308 Q CB 1.776 30.540 28.738 0.043 0.000 1.384 308 Q HN 0.460 nan 8.270 nan 0.000 0.467 309 P HA -0.180 nan 4.420 nan 0.000 0.217 309 P C 0.380 177.260 177.300 -0.700 0.000 1.158 309 P CA 1.828 64.481 63.100 -0.744 0.000 0.887 309 P CB 0.233 31.423 31.700 -0.849 0.000 0.792 310 H N -3.283 115.742 119.070 -0.075 0.000 2.923 310 H HA 0.669 5.225 4.556 0.001 0.000 0.268 310 H C 0.287 175.613 175.328 -0.002 0.000 1.148 310 H CA -0.018 56.010 56.048 -0.033 0.000 1.146 310 H CB 0.755 30.513 29.762 -0.007 0.000 1.607 310 H HN 0.045 nan 8.280 nan 0.000 0.566 311 A N 0.702 123.574 122.820 0.086 0.000 2.594 311 A HA 0.779 5.099 4.320 0.001 0.000 0.295 311 A C -1.210 176.495 177.584 0.203 0.000 1.071 311 A CA -0.119 52.025 52.037 0.178 0.000 0.685 311 A CB 1.513 20.661 19.000 0.247 0.000 1.285 311 A HN 0.229 nan 8.150 nan 0.000 0.405 312 A N 0.835 123.741 122.820 0.142 0.000 2.423 312 A HA 0.949 5.270 4.320 0.001 0.000 0.304 312 A C -0.339 177.244 177.584 -0.002 0.000 1.104 312 A CA -0.638 51.355 52.037 -0.073 0.000 0.757 312 A CB 1.454 20.030 19.000 -0.706 0.000 1.313 312 A HN 1.168 nan 8.150 nan 0.000 0.423 313 R N 0.151 120.489 120.500 -0.268 0.000 2.686 313 R HA 0.676 5.016 4.340 0.001 0.000 0.283 313 R C -1.879 174.378 176.300 -0.071 0.000 0.978 313 R CA -0.461 55.344 56.100 -0.492 0.000 0.897 313 R CB 2.119 31.418 30.300 -1.669 0.000 1.192 313 R HN 1.167 nan 8.270 nan 0.000 0.457 314 V N 1.893 121.844 119.914 0.061 0.000 2.447 314 V HA 0.765 4.885 4.120 0.001 0.000 0.292 314 V C 0.426 176.521 176.094 0.001 0.000 1.021 314 V CA 0.463 62.806 62.300 0.072 0.000 0.850 314 V CB 0.643 32.544 31.823 0.131 0.000 1.005 314 V HN 1.138 nan 8.190 nan 0.000 0.426 315 G N 4.608 113.382 108.800 -0.045 0.000 2.574 315 G HA2 -0.288 3.673 3.960 0.001 0.000 0.301 315 G HA3 -0.288 3.673 3.960 0.001 0.000 0.301 315 G C 0.331 175.189 174.900 -0.071 0.000 1.166 315 G CA 0.828 45.904 45.100 -0.041 0.000 0.971 315 G HN 0.826 nan 8.290 nan 0.000 0.542 316 D N 0.440 120.813 120.400 -0.044 0.000 2.369 316 D HA 0.289 4.929 4.640 0.001 0.000 0.211 316 D C 0.796 177.065 176.300 -0.052 0.000 1.077 316 D CA 0.548 54.532 54.000 -0.028 0.000 0.842 316 D CB 0.901 41.707 40.800 0.010 0.000 0.947 316 D HN 0.311 nan 8.370 nan 0.000 0.509 317 V N 1.252 121.101 119.914 -0.110 0.000 2.439 317 V HA 0.256 4.376 4.120 0.001 0.000 0.282 317 V C -0.440 175.421 176.094 -0.389 0.000 1.039 317 V CA -0.752 61.425 62.300 -0.205 0.000 0.913 317 V CB 1.418 33.107 31.823 -0.224 0.000 0.983 317 V HN -0.017 nan 8.190 nan 0.000 0.460 318 W N 3.582 124.666 121.300 -0.361 0.000 2.551 318 W HA 0.683 5.343 4.660 0.001 0.000 0.330 318 W C -0.687 175.489 176.519 -0.572 0.000 1.063 318 W CA -0.507 56.677 57.345 -0.268 0.000 1.222 318 W CB 1.484 30.878 29.460 -0.110 0.000 1.349 318 W HN 0.401 nan 8.180 nan 0.000 0.536 319 F N 2.195 122.313 119.950 0.280 0.000 2.434 319 F HA 0.272 4.800 4.527 0.001 0.000 0.367 319 F C 0.675 176.562 175.800 0.145 0.000 1.093 319 F CA -1.128 56.973 58.000 0.169 0.000 1.085 319 F CB 0.463 39.534 39.000 0.120 0.000 1.322 319 F HN 0.074 nan 8.300 nan 0.000 0.452 320 T N -1.317 113.370 114.554 0.222 0.000 2.910 320 T HA 0.538 4.889 4.350 0.001 0.000 0.293 320 T C 0.972 175.750 174.700 0.129 0.000 1.015 320 T CA 0.105 62.298 62.100 0.155 0.000 1.094 320 T CB 1.526 70.441 68.868 0.078 0.000 0.968 320 T HN 1.200 nan 8.240 nan 0.000 0.521 321 G N 1.779 110.643 108.800 0.107 0.000 2.140 321 G HA2 -0.147 3.813 3.960 0.001 0.000 0.211 321 G HA3 -0.147 3.813 3.960 0.001 0.000 0.211 321 G C -0.136 174.813 174.900 0.081 0.000 1.013 321 G CA -0.161 44.992 45.100 0.087 0.000 0.705 321 G HN 0.911 nan 8.290 nan 0.000 0.508 322 I N 0.883 121.492 120.570 0.064 0.000 2.410 322 I HA 0.297 4.467 4.170 0.001 0.000 0.286 322 I C -2.355 173.748 176.117 -0.022 0.000 1.009 322 I CA -2.526 58.772 61.300 -0.003 0.000 1.111 322 I CB 2.357 40.289 38.000 -0.112 0.000 1.262 322 I HN -0.171 nan 8.210 nan 0.000 0.443 323 P HA 0.089 nan 4.420 nan 0.000 0.267 323 P C 0.875 178.108 177.300 -0.111 0.000 1.205 323 P CA -0.071 63.012 63.100 -0.029 0.000 0.765 323 P CB 0.705 32.390 31.700 -0.025 0.000 0.828 324 M N 4.539 124.034 119.600 -0.176 0.000 2.089 324 M HA -0.319 4.161 4.480 0.001 0.000 0.257 324 M C 1.714 177.935 176.300 -0.132 0.000 1.071 324 M CA 2.343 57.521 55.300 -0.203 0.000 1.096 324 M CB -0.459 31.937 32.600 -0.340 0.000 1.330 324 M HN 0.345 nan 8.290 nan 0.000 0.403 325 N N -0.202 118.435 118.700 -0.105 0.000 2.120 325 N HA -0.258 4.482 4.740 0.001 0.000 0.188 325 N C 1.495 176.957 175.510 -0.080 0.000 1.024 325 N CA 2.088 55.094 53.050 -0.073 0.000 0.852 325 N CB -0.851 37.602 38.487 -0.057 0.000 1.003 325 N HN 0.649 nan 8.380 nan 0.000 0.424 326 Q N 0.189 119.934 119.800 -0.093 0.000 2.119 326 Q HA 0.103 4.444 4.340 0.001 0.000 0.201 326 Q C 2.269 178.240 176.000 -0.049 0.000 0.972 326 Q CA 1.477 57.234 55.803 -0.076 0.000 0.847 326 Q CB -0.137 28.555 28.738 -0.076 0.000 0.903 326 Q HN 0.604 nan 8.270 nan 0.000 0.433 327 A N 0.793 123.565 122.820 -0.081 0.000 1.902 327 A HA -0.163 4.158 4.320 0.001 0.000 0.217 327 A C 1.968 179.571 177.584 0.032 0.000 1.181 327 A CA 1.040 53.044 52.037 -0.056 0.000 0.623 327 A CB -0.534 18.300 19.000 -0.277 0.000 0.818 327 A HN 0.302 nan 8.150 nan 0.000 0.443 328 I N -0.650 119.895 120.570 -0.041 0.000 2.252 328 I HA -0.220 3.951 4.170 0.001 0.000 0.245 328 I C 2.545 178.503 176.117 -0.265 0.000 1.102 328 I CA 1.656 62.894 61.300 -0.104 0.000 1.385 328 I CB -0.257 37.729 38.000 -0.024 0.000 1.064 328 I HN 0.397 nan 8.210 nan 0.000 0.414 329 E N 1.146 121.248 120.200 -0.163 0.000 2.058 329 E HA -0.208 4.142 4.350 0.001 0.000 0.194 329 E C 2.051 178.544 176.600 -0.179 0.000 0.997 329 E CA 2.258 58.555 56.400 -0.172 0.000 0.801 329 E CB -0.395 29.249 29.700 -0.093 0.000 0.746 329 E HN 0.303 nan 8.360 nan 0.000 0.450 330 T N 0.850 115.351 114.554 -0.089 0.000 2.746 330 T HA -0.127 4.223 4.350 0.001 0.000 0.267 330 T C 1.545 176.159 174.700 -0.143 0.000 1.039 330 T CA 1.186 63.248 62.100 -0.063 0.000 1.142 330 T CB -0.273 68.637 68.868 0.070 0.000 0.866 330 T HN 0.057 nan 8.240 nan 0.000 0.444 331 L N 0.973 122.095 121.223 -0.169 0.000 2.083 331 L HA -0.020 4.320 4.340 0.001 0.000 0.209 331 L C 2.566 179.188 176.870 -0.414 0.000 1.083 331 L CA 1.198 55.903 54.840 -0.226 0.000 0.752 331 L CB -1.095 40.885 42.059 -0.132 0.000 0.899 331 L HN 0.146 nan 8.230 nan 0.000 0.433 332 V N -0.737 118.739 119.914 -0.729 0.000 2.343 332 V HA -0.273 3.847 4.120 0.001 0.000 0.247 332 V C 2.404 178.314 176.094 -0.306 0.000 1.051 332 V CA 1.554 63.380 62.300 -0.789 0.000 1.036 332 V CB -0.492 30.846 31.823 -0.807 0.000 0.654 332 V HN 0.465 nan 8.190 nan 0.000 0.451 333 E N 0.069 120.139 120.200 -0.216 0.000 2.058 333 E HA -0.200 4.150 4.350 0.001 0.000 0.194 333 E C 2.238 178.809 176.600 -0.049 0.000 0.997 333 E CA 1.349 57.685 56.400 -0.106 0.000 0.801 333 E CB -0.211 29.436 29.700 -0.087 0.000 0.746 333 E HN 0.498 nan 8.360 nan 0.000 0.450 334 L N 0.294 121.484 121.223 -0.056 0.000 2.141 334 L HA -0.186 4.154 4.340 0.001 0.000 0.209 334 L C 2.571 179.519 176.870 0.130 0.000 1.094 334 L CA 0.544 55.397 54.840 0.022 0.000 0.763 334 L CB -0.364 41.659 42.059 -0.061 0.000 0.908 334 L HN 0.326 nan 8.230 nan 0.000 0.437 335 C N 0.223 119.575 119.300 0.086 0.000 2.425 335 C HA -0.141 4.320 4.460 0.001 0.000 0.277 335 C C 2.699 177.805 174.990 0.195 0.000 1.280 335 C CA 0.697 59.825 59.018 0.183 0.000 1.744 335 C CB -0.656 27.261 27.740 0.295 0.000 1.989 335 C HN 0.436 nan 8.230 nan 0.000 0.491 336 K N 0.327 120.798 120.400 0.118 0.000 2.280 336 K HA -0.158 4.163 4.320 0.001 0.000 0.202 336 K C 1.879 178.520 176.600 0.068 0.000 1.047 336 K CA 1.059 57.398 56.287 0.087 0.000 0.942 336 K CB -0.187 32.335 32.500 0.037 0.000 0.739 336 K HN 0.622 nan 8.250 nan 0.000 0.457 337 Q N -0.250 119.602 119.800 0.087 0.000 2.451 337 Q HA -0.024 4.316 4.340 0.001 0.000 0.206 337 Q C -0.364 175.488 176.000 -0.247 0.000 0.947 337 Q CA 0.601 56.373 55.803 -0.052 0.000 0.937 337 Q CB 0.346 29.049 28.738 -0.058 0.000 1.025 337 Q HN 0.394 nan 8.270 nan 0.000 0.511 338 H N -0.631 118.493 119.070 0.089 0.000 2.448 338 H HA 0.203 4.760 4.556 0.001 0.000 0.237 338 H C -0.948 174.553 175.328 0.289 0.000 1.391 338 H CA -0.729 55.429 56.048 0.184 0.000 1.477 338 H CB 0.464 30.322 29.762 0.161 0.000 1.520 338 H HN -0.076 nan 8.280 nan 0.000 0.502 339 V N -0.167 119.877 119.914 0.217 0.000 2.530 339 V HA 0.426 4.546 4.120 0.001 0.000 0.282 339 V C -0.149 175.995 176.094 0.083 0.000 1.048 339 V CA -0.319 62.080 62.300 0.165 0.000 0.997 339 V CB 0.713 32.556 31.823 0.033 0.000 0.987 339 V HN 0.638 nan 8.190 nan 0.000 0.477 340 H N 3.104 122.203 119.070 0.049 0.000 3.162 340 H HA 0.707 5.264 4.556 0.001 0.000 0.309 340 H C 0.565 175.911 175.328 0.030 0.000 1.156 340 H CA 0.438 56.508 56.048 0.037 0.000 1.586 340 H CB 0.960 30.746 29.762 0.040 0.000 1.740 340 H HN 1.287 nan 8.280 nan 0.000 0.525 357 D N -0.047 120.354 120.400 0.001 0.000 2.838 357 D HA 0.575 5.215 4.640 0.001 0.000 0.334 357 D C 0.092 176.395 176.300 0.004 0.000 1.315 357 D CA 0.095 54.094 54.000 -0.002 0.000 0.917 357 D CB 1.264 42.063 40.800 -0.003 0.000 1.435 357 D HN 0.826 nan 8.370 nan 0.000 0.517 358 G N 0.131 108.932 108.800 0.002 0.000 2.627 358 G HA2 0.101 4.062 3.960 0.001 0.000 0.214 358 G HA3 0.101 4.062 3.960 0.001 0.000 0.214 358 G C -0.240 174.664 174.900 0.007 0.000 1.331 358 G CA 0.014 45.118 45.100 0.006 0.000 0.891 358 G HN 1.179 nan 8.290 nan 0.000 0.539 359 S N -0.642 115.063 115.700 0.009 0.000 2.552 359 S HA 0.362 4.832 4.470 0.001 0.000 0.289 359 S C 0.971 175.578 174.600 0.012 0.000 1.304 359 S CA -0.024 58.181 58.200 0.008 0.000 1.063 359 S CB -0.161 63.044 63.200 0.008 0.000 0.848 359 S HN 0.846 nan 8.310 nan 0.000 0.499 360 L N 4.580 125.809 121.223 0.009 0.000 2.456 360 L HA 0.345 4.685 4.340 0.001 0.000 0.272 360 L C 0.826 177.706 176.870 0.017 0.000 1.189 360 L CA -0.009 54.841 54.840 0.017 0.000 0.846 360 L CB 0.716 42.778 42.059 0.004 0.000 1.111 360 L HN 0.942 nan 8.230 nan 0.000 0.475 361 T N -1.733 112.847 114.554 0.044 0.000 2.843 361 T HA 0.207 4.557 4.350 0.001 0.000 0.302 361 T C 0.358 175.122 174.700 0.107 0.000 1.232 361 T CA -0.924 61.208 62.100 0.054 0.000 1.009 361 T CB 1.661 70.567 68.868 0.063 0.000 1.254 361 T HN 0.456 nan 8.240 nan 0.000 0.504 362 Q N 0.417 120.296 119.800 0.132 0.000 2.112 362 Q HA -0.189 4.151 4.340 0.001 0.000 0.206 362 Q C 1.874 178.111 176.000 0.395 0.000 0.987 362 Q CA 2.415 58.386 55.803 0.279 0.000 0.858 362 Q CB -0.373 28.547 28.738 0.304 0.000 0.905 362 Q HN 0.932 nan 8.270 nan 0.000 0.420 363 E N 2.122 122.473 120.200 0.252 0.000 2.013 363 E HA -0.233 4.117 4.350 0.001 0.000 0.202 363 E C 1.435 178.151 176.600 0.194 0.000 1.018 363 E CA 2.130 58.659 56.400 0.214 0.000 0.834 363 E CB -0.366 29.411 29.700 0.128 0.000 0.770 363 E HN 0.510 nan 8.360 nan 0.000 0.459 364 N N -0.231 118.548 118.700 0.132 0.000 2.459 364 N HA -0.126 4.614 4.740 0.001 0.000 0.181 364 N C 1.722 177.263 175.510 0.051 0.000 1.046 364 N CA 1.212 54.310 53.050 0.080 0.000 0.904 364 N CB -0.708 37.809 38.487 0.050 0.000 0.964 364 N HN 0.350 nan 8.380 nan 0.000 0.444 365 F N 0.088 119.992 119.950 -0.076 0.000 2.084 365 F HA 0.044 4.571 4.527 0.001 0.000 0.296 365 F C 1.516 177.147 175.800 -0.282 0.000 1.111 365 F CA 1.095 58.947 58.000 -0.247 0.000 1.224 365 F CB -0.425 38.330 39.000 -0.408 0.000 0.991 365 F HN -0.004 nan 8.300 nan 0.000 0.471 366 W N 0.485 121.765 121.300 -0.034 0.000 2.402 366 W HA -0.053 4.607 4.660 0.000 0.000 0.286 366 W C 2.673 179.112 176.519 -0.132 0.000 1.221 366 W CA 1.081 58.350 57.345 -0.126 0.000 1.257 366 W CB -0.403 29.110 29.460 0.088 0.000 1.120 366 W HN -0.071 nan 8.180 nan 0.000 0.551 367 R N 0.093 120.655 120.500 0.102 0.000 2.075 367 R HA -0.110 4.231 4.340 0.001 0.000 0.232 367 R C 2.077 178.359 176.300 -0.030 0.000 1.126 367 R CA 2.122 58.255 56.100 0.054 0.000 0.963 367 R CB -0.697 29.636 30.300 0.054 0.000 0.858 367 R HN -0.042 nan 8.270 nan 0.000 0.435 368 T N 1.052 115.529 114.554 -0.128 0.000 2.708 368 T HA -0.134 4.216 4.350 0.001 0.000 0.266 368 T C 1.536 176.126 174.700 -0.183 0.000 1.037 368 T CA 1.237 63.236 62.100 -0.167 0.000 1.146 368 T CB -0.286 68.435 68.868 -0.245 0.000 0.865 368 T HN 0.104 nan 8.240 nan 0.000 0.435 369 L N 1.391 122.405 121.223 -0.348 0.000 2.127 369 L HA -0.100 4.240 4.340 0.001 0.000 0.211 369 L C 2.527 179.413 176.870 0.027 0.000 1.089 369 L CA 1.668 56.366 54.840 -0.237 0.000 0.757 369 L CB -0.746 41.037 42.059 -0.460 0.000 0.899 369 L HN 0.167 nan 8.230 nan 0.000 0.434 370 Q N -0.630 119.190 119.800 0.033 0.000 2.096 370 Q HA -0.205 4.136 4.340 0.001 0.000 0.204 370 Q C 2.145 178.176 176.000 0.051 0.000 0.982 370 Q CA 2.504 58.348 55.803 0.068 0.000 0.850 370 Q CB -0.571 28.206 28.738 0.065 0.000 0.901 370 Q HN 0.641 nan 8.270 nan 0.000 0.422 371 T N -2.504 112.076 114.554 0.044 0.000 3.118 371 T HA -0.035 4.315 4.350 0.001 0.000 0.260 371 T C 1.350 176.098 174.700 0.080 0.000 1.139 371 T CA 0.602 62.727 62.100 0.042 0.000 1.085 371 T CB -0.362 68.523 68.868 0.029 0.000 0.934 371 T HN 0.303 nan 8.240 nan 0.000 0.518 372 F N 2.693 122.603 119.950 -0.066 0.000 2.374 372 F HA 0.405 4.933 4.527 0.000 0.000 0.291 372 F C 0.756 176.527 175.800 -0.047 0.000 1.084 372 F CA -1.558 56.401 58.000 -0.069 0.000 1.413 372 F CB -0.002 38.939 39.000 -0.100 0.000 1.099 372 F HN 0.248 nan 8.300 nan 0.000 0.534 373 I N 0.921 121.418 120.570 -0.121 0.000 2.752 373 I HA 0.258 4.428 4.170 0.001 0.000 0.287 373 I C -0.110 175.879 176.117 -0.213 0.000 1.188 373 I CA -0.245 60.938 61.300 -0.194 0.000 1.427 373 I CB 0.578 38.573 38.000 -0.007 0.000 1.365 373 I HN 0.111 nan 8.210 nan 0.000 0.585 374 R N 5.132 125.495 120.500 -0.229 0.000 2.808 374 R HA 0.597 4.938 4.340 0.001 0.000 0.272 374 R C -2.753 173.482 176.300 -0.108 0.000 0.995 374 R CA -1.780 54.217 56.100 -0.171 0.000 0.917 374 R CB 2.037 32.203 30.300 -0.224 0.000 1.217 374 R HN 0.422 nan 8.270 nan 0.000 0.471 375 P HA 0.072 nan 4.420 nan 0.000 0.266 375 P C 0.022 177.296 177.300 -0.043 0.000 1.193 375 P CA 1.204 64.276 63.100 -0.047 0.000 0.770 375 P CB 0.634 32.313 31.700 -0.035 0.000 0.836 376 G N 0.713 109.498 108.800 -0.025 0.000 2.179 376 G HA2 -0.201 3.760 3.960 0.001 0.000 0.260 376 G HA3 -0.201 3.760 3.960 0.001 0.000 0.260 376 G C 0.093 174.974 174.900 -0.033 0.000 0.977 376 G CA -0.145 44.943 45.100 -0.020 0.000 0.641 376 G HN 0.501 nan 8.290 nan 0.000 0.533 377 D N -0.069 120.306 120.400 -0.042 0.000 2.357 377 D HA 0.529 5.169 4.640 0.001 0.000 0.242 377 D C 0.839 177.129 176.300 -0.017 0.000 1.153 377 D CA 0.253 54.224 54.000 -0.047 0.000 0.918 377 D CB 0.765 41.533 40.800 -0.053 0.000 1.181 377 D HN 0.279 nan 8.370 nan 0.000 0.435 378 I N 2.180 122.734 120.570 -0.027 0.000 2.448 378 I HA 0.278 4.449 4.170 0.001 0.000 0.281 378 I C -0.436 175.665 176.117 -0.027 0.000 1.027 378 I CA -0.417 60.869 61.300 -0.024 0.000 1.111 378 I CB 0.965 38.937 38.000 -0.048 0.000 1.236 378 I HN 0.039 nan 8.210 nan 0.000 0.452 379 I N 6.954 127.510 120.570 -0.023 0.000 2.377 379 I HA 0.442 4.613 4.170 0.001 0.000 0.293 379 I C -0.859 175.113 176.117 -0.241 0.000 0.987 379 I CA -0.744 60.518 61.300 -0.063 0.000 1.185 379 I CB 1.668 39.695 38.000 0.045 0.000 1.341 379 I HN 0.297 nan 8.210 nan 0.000 0.455 380 L N 6.205 127.312 121.223 -0.192 0.000 2.362 380 L HA 0.823 5.163 4.340 0.001 0.000 0.275 380 L C -0.245 176.512 176.870 -0.189 0.000 0.998 380 L CA -0.318 54.384 54.840 -0.231 0.000 0.820 380 L CB 1.927 43.903 42.059 -0.139 0.000 1.270 380 L HN 0.675 nan 8.230 nan 0.000 0.415 381 A N 1.388 124.066 122.820 -0.237 0.000 2.374 381 A HA 0.651 4.971 4.320 0.001 0.000 0.305 381 A C -1.087 176.429 177.584 -0.113 0.000 1.053 381 A CA -0.576 51.386 52.037 -0.124 0.000 0.726 381 A CB 1.138 20.076 19.000 -0.104 0.000 1.229 381 A HN 0.614 nan 8.150 nan 0.000 0.431 382 D N 0.550 120.907 120.400 -0.071 0.000 2.423 382 D HA 0.320 4.960 4.640 0.001 0.000 0.255 382 D C 0.029 176.250 176.300 -0.132 0.000 1.174 382 D CA 0.048 54.002 54.000 -0.075 0.000 1.008 382 D CB 0.933 41.704 40.800 -0.048 0.000 1.101 382 D HN 0.513 nan 8.370 nan 0.000 0.516 383 Q N -0.355 119.366 119.800 -0.132 0.000 2.349 383 Q HA 0.411 4.752 4.340 0.001 0.000 0.287 383 Q C 0.372 176.327 176.000 -0.075 0.000 1.044 383 Q CA 1.105 56.816 55.803 -0.152 0.000 0.918 383 Q CB 0.451 29.133 28.738 -0.093 0.000 1.242 383 Q HN 0.677 nan 8.270 nan 0.000 0.405 384 G N 0.634 109.424 108.800 -0.017 0.000 2.337 384 G HA2 -0.235 3.725 3.960 0.001 0.000 0.197 384 G HA3 -0.235 3.725 3.960 0.001 0.000 0.197 384 G C 0.573 175.562 174.900 0.148 0.000 1.238 384 G CA 0.132 45.301 45.100 0.115 0.000 1.119 384 G HN 0.792 nan 8.290 nan 0.000 0.514 385 T N -1.356 113.291 114.554 0.155 0.000 2.803 385 T HA -0.040 4.310 4.350 0.001 0.000 0.269 385 T C 2.400 177.243 174.700 0.238 0.000 1.052 385 T CA 2.723 64.945 62.100 0.203 0.000 1.136 385 T CB -0.473 68.507 68.868 0.187 0.000 0.864 385 T HN 0.870 nan 8.240 nan 0.000 0.467 386 S N 2.078 117.890 115.700 0.188 0.000 2.351 386 S HA 0.011 4.481 4.470 0.001 0.000 0.220 386 S C 2.676 177.324 174.600 0.079 0.000 1.035 386 S CA 1.263 59.638 58.200 0.291 0.000 1.031 386 S CB -1.011 62.268 63.200 0.131 0.000 0.928 386 S HN 0.792 nan 8.310 nan 0.000 0.433 387 A N 0.830 123.539 122.820 -0.185 0.000 1.902 387 A HA 0.007 4.328 4.320 0.001 0.000 0.217 387 A C 1.607 178.897 177.584 -0.491 0.000 1.181 387 A CA 1.338 53.131 52.037 -0.407 0.000 0.623 387 A CB -0.762 17.813 19.000 -0.709 0.000 0.818 387 A HN 0.488 nan 8.150 nan 0.000 0.443 388 F N -0.053 119.852 119.950 -0.076 0.000 2.804 388 F HA 0.242 4.769 4.527 0.000 0.000 0.303 388 F C 2.072 177.703 175.800 -0.282 0.000 1.154 388 F CA 0.157 58.078 58.000 -0.132 0.000 1.401 388 F CB -0.421 38.530 39.000 -0.083 0.000 1.106 388 F HN 0.251 nan 8.300 nan 0.000 0.568 389 G N -0.645 107.895 108.800 -0.435 0.000 2.742 389 G HA2 0.146 4.106 3.960 0.001 0.000 0.204 389 G HA3 0.146 4.106 3.960 0.001 0.000 0.204 389 G C 1.779 175.720 174.900 -1.598 0.000 1.126 389 G CA 0.518 44.893 45.100 -1.209 0.000 0.829 389 G HN 0.273 nan 8.290 nan 0.000 0.574 390 A N 0.744 122.783 122.820 -1.303 0.000 2.125 390 A HA 0.121 4.441 4.320 0.001 0.000 0.219 390 A C 2.170 179.659 177.584 -0.159 0.000 1.156 390 A CA 0.929 52.667 52.037 -0.498 0.000 0.671 390 A CB -0.374 18.708 19.000 0.137 0.000 0.794 390 A HN 0.410 nan 8.150 nan 0.000 0.459 391 I N -0.667 119.790 120.570 -0.188 0.000 2.567 391 I HA -0.190 3.980 4.170 0.001 0.000 0.257 391 I C 0.719 176.759 176.117 -0.128 0.000 1.184 391 I CA 1.463 62.693 61.300 -0.117 0.000 1.451 391 I CB -0.048 37.936 38.000 -0.027 0.000 1.089 391 I HN 0.223 nan 8.210 nan 0.000 0.441 392 D N 0.691 120.995 120.400 -0.160 0.000 2.339 392 D HA 0.148 4.788 4.640 0.001 0.000 0.217 392 D C 0.738 177.019 176.300 -0.032 0.000 1.050 392 D CA 0.121 54.073 54.000 -0.081 0.000 0.856 392 D CB 0.189 40.938 40.800 -0.084 0.000 0.922 392 D HN 0.292 nan 8.370 nan 0.000 0.518 393 L N 1.289 122.489 121.223 -0.038 0.000 2.490 393 L HA 0.069 4.410 4.340 0.001 0.000 0.274 393 L C 1.056 177.912 176.870 -0.023 0.000 1.201 393 L CA 0.214 55.071 54.840 0.028 0.000 0.869 393 L CB 0.636 42.754 42.059 0.099 0.000 1.123 393 L HN -0.304 nan 8.230 nan 0.000 0.484 394 R N 3.498 123.995 120.500 -0.006 0.000 2.230 394 R HA 0.298 4.639 4.340 0.001 0.000 0.337 394 R C -1.006 175.245 176.300 -0.083 0.000 1.063 394 R CA -0.961 55.111 56.100 -0.047 0.000 0.935 394 R CB 0.382 30.672 30.300 -0.016 0.000 1.121 394 R HN 0.353 nan 8.270 nan 0.000 0.486 395 L N 6.984 128.121 121.223 -0.144 0.000 2.380 395 L HA 0.303 4.643 4.340 0.001 0.000 0.273 395 L C -1.906 174.891 176.870 -0.122 0.000 1.138 395 L CA -1.767 53.003 54.840 -0.117 0.000 0.832 395 L CB 0.583 42.563 42.059 -0.132 0.000 1.124 395 L HN 0.489 nan 8.230 nan 0.000 0.454 396 P HA 0.275 nan 4.420 nan 0.000 0.307 396 P C -1.025 176.244 177.300 -0.052 0.000 1.306 396 P CA -0.553 62.508 63.100 -0.065 0.000 0.742 396 P CB 0.467 32.135 31.700 -0.052 0.000 1.349 397 A N -0.604 122.195 122.820 -0.035 0.000 2.272 397 A HA 0.277 4.598 4.320 0.001 0.000 0.275 397 A C 0.022 177.604 177.584 -0.004 0.000 1.096 397 A CA -0.195 51.834 52.037 -0.014 0.000 0.822 397 A CB -0.960 18.035 19.000 -0.008 0.000 1.088 397 A HN 0.698 nan 8.150 nan 0.000 0.495 398 D N -1.324 119.085 120.400 0.015 0.000 2.692 398 D HA -0.145 4.495 4.640 0.001 0.000 0.233 398 D C -0.321 175.989 176.300 0.016 0.000 1.172 398 D CA 1.398 55.412 54.000 0.024 0.000 0.636 398 D CB -1.262 39.551 40.800 0.021 0.000 1.028 398 D HN 0.810 nan 8.370 nan 0.000 0.419 399 V N 0.103 120.029 119.914 0.021 0.000 2.540 399 V HA 0.388 4.508 4.120 0.001 0.000 0.302 399 V C -0.309 175.823 176.094 0.063 0.000 1.035 399 V CA -0.999 61.322 62.300 0.034 0.000 0.873 399 V CB 2.106 33.953 31.823 0.040 0.000 0.992 399 V HN 0.202 nan 8.190 nan 0.000 0.428 400 N N 5.082 123.819 118.700 0.061 0.000 2.439 400 N HA 0.368 5.108 4.740 0.001 0.000 0.249 400 N C -1.415 174.169 175.510 0.124 0.000 1.003 400 N CA -0.593 52.501 53.050 0.073 0.000 0.942 400 N CB 0.612 39.113 38.487 0.022 0.000 1.115 400 N HN 0.709 nan 8.380 nan 0.000 0.505 401 F N 5.983 125.935 119.950 0.002 0.000 2.371 401 F HA 0.456 4.983 4.527 0.001 0.000 0.363 401 F C -0.591 175.221 175.800 0.020 0.000 1.122 401 F CA -0.678 57.330 58.000 0.012 0.000 1.129 401 F CB 0.467 39.474 39.000 0.012 0.000 1.173 401 F HN 0.351 nan 8.300 nan 0.000 0.489 402 I N 7.766 128.165 120.570 -0.284 0.000 2.328 402 I HA 0.426 4.596 4.170 0.001 0.000 0.287 402 I C -0.865 175.105 176.117 -0.245 0.000 1.012 402 I CA -0.796 60.413 61.300 -0.151 0.000 1.195 402 I CB 1.398 39.363 38.000 -0.059 0.000 1.350 402 I HN 0.341 nan 8.210 nan 0.000 0.464 403 V N 6.482 126.328 119.914 -0.113 0.000 3.078 403 V HA 0.419 4.539 4.120 0.001 0.000 0.311 403 V C -1.047 174.977 176.094 -0.117 0.000 1.138 403 V CA -0.261 61.968 62.300 -0.119 0.000 1.007 403 V CB 2.536 34.324 31.823 -0.059 0.000 1.045 403 V HN 0.826 nan 8.190 nan 0.000 0.432 404 Q N 4.609 124.296 119.800 -0.188 0.000 3.122 404 Q HA 0.410 4.751 4.340 0.001 0.000 0.282 404 Q C -2.318 173.574 176.000 -0.179 0.000 0.947 404 Q CA -1.531 54.114 55.803 -0.263 0.000 0.812 404 Q CB 1.810 30.212 28.738 -0.559 0.000 1.333 404 Q HN 0.615 nan 8.270 nan 0.000 0.430 405 P HA -0.105 nan 4.420 nan 0.000 0.220 405 P C 1.027 178.296 177.300 -0.051 0.000 1.152 405 P CA 0.374 63.429 63.100 -0.074 0.000 0.812 405 P CB 0.337 32.014 31.700 -0.038 0.000 0.792 406 L N -1.342 119.836 121.223 -0.074 0.000 2.034 406 L HA 0.046 4.386 4.340 0.001 0.000 0.203 406 L C 2.181 179.112 176.870 0.102 0.000 1.074 406 L CA 1.668 56.504 54.840 -0.006 0.000 0.748 406 L CB -1.568 40.462 42.059 -0.047 0.000 0.905 406 L HN 0.027 nan 8.230 nan 0.000 0.439 407 W N 0.761 121.989 121.300 -0.120 0.000 2.407 407 W HA 0.012 4.672 4.660 0.000 0.000 0.305 407 W C 1.248 177.714 176.519 -0.089 0.000 1.196 407 W CA 1.126 58.419 57.345 -0.088 0.000 1.311 407 W CB -0.061 29.333 29.460 -0.110 0.000 1.135 407 W HN 0.423 nan 8.180 nan 0.000 0.514 408 G N 1.697 110.427 108.800 -0.116 0.000 2.295 408 G HA2 -0.291 3.670 3.960 0.001 0.000 0.287 408 G HA3 -0.291 3.670 3.960 0.001 0.000 0.287 408 G C -0.145 174.589 174.900 -0.277 0.000 1.055 408 G CA 0.539 45.516 45.100 -0.204 0.000 0.922 408 G HN 0.295 nan 8.290 nan 0.000 0.503 409 S N 0.045 115.601 115.700 -0.240 0.000 2.416 409 S HA 0.579 5.049 4.470 0.001 0.000 0.287 409 S C 1.082 175.641 174.600 -0.068 0.000 1.139 409 S CA -0.467 57.646 58.200 -0.146 0.000 1.058 409 S CB -0.032 63.227 63.200 0.098 0.000 0.967 409 S HN 1.121 nan 8.310 nan 0.000 0.495 410 I N 2.761 123.288 120.570 -0.072 0.000 2.692 410 I HA 0.604 4.774 4.170 0.001 0.000 0.284 410 I C 1.215 177.329 176.117 -0.005 0.000 1.159 410 I CA 0.506 61.776 61.300 -0.049 0.000 1.423 410 I CB 0.228 38.189 38.000 -0.065 0.000 1.380 410 I HN 0.815 nan 8.210 nan 0.000 0.580 411 G N 4.062 112.848 108.800 -0.023 0.000 2.284 411 G HA2 -0.377 3.583 3.960 0.001 0.000 0.216 411 G HA3 -0.377 3.583 3.960 0.001 0.000 0.216 411 G C 0.536 175.324 174.900 -0.188 0.000 1.009 411 G CA 0.498 45.598 45.100 0.000 0.000 0.625 411 G HN 0.942 nan 8.290 nan 0.000 0.501 412 Y N 2.644 122.592 120.300 -0.587 0.000 2.081 412 Y HA -0.200 4.351 4.550 0.000 0.000 0.280 412 Y C 3.106 178.717 175.900 -0.482 0.000 1.163 412 Y CA 3.934 61.404 58.100 -1.049 0.000 1.135 412 Y CB -0.600 37.406 38.460 -0.755 0.000 0.970 412 Y HN 0.585 nan 8.280 nan 0.000 0.498 413 T N -1.104 113.269 114.554 -0.302 0.000 2.788 413 T HA -0.243 4.107 4.350 0.001 0.000 0.268 413 T C 1.855 176.404 174.700 -0.253 0.000 1.044 413 T CA 1.497 63.416 62.100 -0.301 0.000 1.139 413 T CB -0.936 67.879 68.868 -0.089 0.000 0.867 413 T HN 0.357 nan 8.240 nan 0.000 0.454 414 L N 1.716 122.847 121.223 -0.153 0.000 2.017 414 L HA 0.238 4.578 4.340 0.001 0.000 0.208 414 L C 2.872 179.704 176.870 -0.062 0.000 1.073 414 L CA 1.952 56.754 54.840 -0.063 0.000 0.745 414 L CB -1.265 40.800 42.059 0.011 0.000 0.894 414 L HN 0.395 nan 8.230 nan 0.000 0.432 415 A N -0.874 121.889 122.820 -0.095 0.000 1.929 415 A HA 0.050 4.370 4.320 0.001 0.000 0.216 415 A C 2.416 179.934 177.584 -0.111 0.000 1.176 415 A CA 1.336 53.360 52.037 -0.022 0.000 0.628 415 A CB -1.012 18.058 19.000 0.117 0.000 0.816 415 A HN 0.535 nan 8.150 nan 0.000 0.444 416 A N 0.122 122.705 122.820 -0.395 0.000 1.933 416 A HA 0.140 4.460 4.320 0.001 0.000 0.218 416 A C 2.475 179.924 177.584 -0.225 0.000 1.175 416 A CA 2.014 53.769 52.037 -0.472 0.000 0.628 416 A CB -0.971 17.439 19.000 -0.983 0.000 0.814 416 A HN 1.027 nan 8.150 nan 0.000 0.444 417 A N -0.986 121.740 122.820 -0.158 0.000 1.908 417 A HA -0.095 4.225 4.320 0.001 0.000 0.218 417 A C 2.022 179.618 177.584 0.021 0.000 1.181 417 A CA 1.727 53.728 52.037 -0.061 0.000 0.627 417 A CB -0.753 18.229 19.000 -0.029 0.000 0.818 417 A HN 0.733 nan 8.150 nan 0.000 0.445 418 F N 1.312 121.207 119.950 -0.092 0.000 2.126 418 F HA -0.068 4.459 4.527 0.000 0.000 0.299 418 F C 2.273 178.061 175.800 -0.020 0.000 1.096 418 F CA 1.476 59.450 58.000 -0.044 0.000 1.255 418 F CB -0.872 38.105 39.000 -0.039 0.000 0.997 418 F HN 0.179 nan 8.300 nan 0.000 0.479 419 G N -0.388 108.304 108.800 -0.179 0.000 2.418 419 G HA2 -0.189 3.771 3.960 0.001 0.000 0.217 419 G HA3 -0.189 3.771 3.960 0.001 0.000 0.217 419 G C 1.840 176.697 174.900 -0.071 0.000 1.158 419 G CA 0.882 45.842 45.100 -0.234 0.000 0.771 419 G HN 0.640 nan 8.290 nan 0.000 0.545 420 A N -0.114 122.646 122.820 -0.100 0.000 1.877 420 A HA -0.062 4.258 4.320 0.001 0.000 0.216 420 A C 2.378 179.890 177.584 -0.120 0.000 1.186 420 A CA 1.876 53.850 52.037 -0.104 0.000 0.620 420 A CB -0.405 18.541 19.000 -0.090 0.000 0.822 420 A HN 0.301 nan 8.150 nan 0.000 0.443 421 Q N -0.489 119.245 119.800 -0.110 0.000 2.084 421 Q HA -0.138 4.202 4.340 0.001 0.000 0.202 421 Q C 2.237 178.147 176.000 -0.151 0.000 0.978 421 Q CA 2.087 57.827 55.803 -0.106 0.000 0.844 421 Q CB -0.934 27.768 28.738 -0.060 0.000 0.898 421 Q HN 0.678 nan 8.270 nan 0.000 0.426 422 T N 1.018 115.436 114.554 -0.227 0.000 2.759 422 T HA -0.139 4.212 4.350 0.001 0.000 0.269 422 T C 1.729 176.276 174.700 -0.255 0.000 1.042 422 T CA 1.480 63.413 62.100 -0.278 0.000 1.140 422 T CB -0.160 68.515 68.868 -0.320 0.000 0.864 422 T HN 0.408 nan 8.240 nan 0.000 0.455 423 A N -0.159 122.520 122.820 -0.234 0.000 1.970 423 A HA 0.101 4.421 4.320 0.001 0.000 0.216 423 A C 1.423 178.875 177.584 -0.221 0.000 1.170 423 A CA 0.474 52.267 52.037 -0.408 0.000 0.645 423 A CB -0.087 18.472 19.000 -0.736 0.000 0.816 423 A HN 0.571 nan 8.150 nan 0.000 0.447 424 C N -0.195 119.013 119.300 -0.155 0.000 3.335 424 C HA 0.387 4.848 4.460 0.001 0.000 0.217 424 C C -1.740 173.214 174.990 -0.061 0.000 1.330 424 C CA -0.864 58.099 59.018 -0.093 0.000 1.470 424 C CB 0.294 27.981 27.740 -0.089 0.000 1.806 424 C HN 0.369 nan 8.230 nan 0.000 0.468 425 P HA -0.115 nan 4.420 nan 0.000 0.217 425 P C 0.939 178.255 177.300 0.026 0.000 1.148 425 P CA 1.527 64.620 63.100 -0.012 0.000 0.828 425 P CB 0.108 31.814 31.700 0.010 0.000 0.783 426 N N -0.842 117.877 118.700 0.033 0.000 2.276 426 N HA 0.094 4.834 4.740 0.001 0.000 0.212 426 N C 0.271 175.815 175.510 0.057 0.000 1.127 426 N CA 0.196 53.290 53.050 0.073 0.000 0.834 426 N CB 0.370 38.897 38.487 0.066 0.000 1.014 426 N HN 0.240 nan 8.380 nan 0.000 0.491 427 R N 0.459 120.955 120.500 -0.007 0.000 2.711 427 R HA 0.355 4.695 4.340 0.001 0.000 0.284 427 R C 0.014 176.211 176.300 -0.171 0.000 0.968 427 R CA -0.768 55.301 56.100 -0.052 0.000 0.924 427 R CB 2.253 32.522 30.300 -0.051 0.000 1.162 427 R HN -0.029 nan 8.270 nan 0.000 0.465 428 R N 1.987 122.346 120.500 -0.234 0.000 2.316 428 R HA 0.176 4.516 4.340 0.001 0.000 0.314 428 R C -0.923 175.257 176.300 -0.200 0.000 1.069 428 R CA -0.159 55.695 56.100 -0.410 0.000 0.959 428 R CB 0.608 30.721 30.300 -0.311 0.000 0.987 428 R HN 0.286 nan 8.270 nan 0.000 0.446 429 V N 7.244 127.058 119.914 -0.168 0.000 2.350 429 V HA 0.281 4.401 4.120 0.001 0.000 0.276 429 V C -0.218 175.870 176.094 -0.010 0.000 1.028 429 V CA -0.684 61.574 62.300 -0.070 0.000 0.860 429 V CB 1.301 33.091 31.823 -0.055 0.000 0.990 429 V HN 0.625 nan 8.190 nan 0.000 0.453 430 I N 5.914 126.494 120.570 0.017 0.000 2.321 430 I HA 0.363 4.534 4.170 0.001 0.000 0.291 430 I C -0.051 176.088 176.117 0.037 0.000 0.998 430 I CA -0.089 61.253 61.300 0.071 0.000 1.227 430 I CB 1.794 39.874 38.000 0.133 0.000 1.368 430 I HN 0.291 nan 8.210 nan 0.000 0.466 431 V N 7.671 127.608 119.914 0.038 0.000 2.328 431 V HA 0.407 4.527 4.120 0.001 0.000 0.278 431 V C -0.066 176.041 176.094 0.021 0.000 1.021 431 V CA -0.626 61.680 62.300 0.011 0.000 0.838 431 V CB 1.060 32.887 31.823 0.007 0.000 0.999 431 V HN 0.411 nan 8.190 nan 0.000 0.447 432 L N 4.867 126.108 121.223 0.029 0.000 2.277 432 L HA 0.669 5.009 4.340 0.001 0.000 0.284 432 L C 0.167 177.045 176.870 0.014 0.000 1.028 432 L CA 0.166 55.044 54.840 0.064 0.000 0.835 432 L CB 1.526 43.708 42.059 0.204 0.000 1.215 432 L HN 0.692 nan 8.230 nan 0.000 0.425 433 T N 1.712 116.242 114.554 -0.041 0.000 2.903 433 T HA 0.678 5.029 4.350 0.001 0.000 0.299 433 T C 0.061 174.682 174.700 -0.131 0.000 1.093 433 T CA -0.344 61.714 62.100 -0.070 0.000 1.002 433 T CB 1.729 70.556 68.868 -0.068 0.000 1.127 433 T HN 0.618 nan 8.240 nan 0.000 0.488 434 G N 1.353 110.091 108.800 -0.104 0.000 2.562 434 G HA2 0.364 4.324 3.960 0.001 0.000 0.275 434 G HA3 0.364 4.324 3.960 0.001 0.000 0.275 434 G C 0.724 175.503 174.900 -0.201 0.000 1.196 434 G CA -0.129 44.892 45.100 -0.131 0.000 0.908 434 G HN 0.831 nan 8.290 nan 0.000 0.524 435 D N -0.550 119.705 120.400 -0.240 0.000 2.183 435 D HA -0.043 4.598 4.640 0.001 0.000 0.203 435 D C 2.134 178.444 176.300 0.016 0.000 0.969 435 D CA 1.189 55.027 54.000 -0.270 0.000 0.842 435 D CB -0.757 39.935 40.800 -0.179 0.000 0.957 435 D HN 0.461 nan 8.370 nan 0.000 0.484 436 G N 0.706 109.537 108.800 0.051 0.000 2.404 436 G HA2 -0.084 3.876 3.960 0.001 0.000 0.215 436 G HA3 -0.084 3.876 3.960 0.001 0.000 0.215 436 G C 1.794 176.783 174.900 0.148 0.000 1.174 436 G CA 1.355 46.570 45.100 0.192 0.000 0.780 436 G HN 0.489 nan 8.290 nan 0.000 0.537 437 A N 1.329 124.200 122.820 0.084 0.000 1.877 437 A HA 0.246 4.567 4.320 0.001 0.000 0.216 437 A C 2.808 180.437 177.584 0.074 0.000 1.186 437 A CA 2.303 54.369 52.037 0.048 0.000 0.620 437 A CB -0.886 18.116 19.000 0.003 0.000 0.822 437 A HN 0.852 nan 8.150 nan 0.000 0.443 438 A N -0.637 122.235 122.820 0.087 0.000 2.024 438 A HA -0.220 4.100 4.320 0.001 0.000 0.220 438 A C 2.044 179.805 177.584 0.295 0.000 1.164 438 A CA 1.605 53.759 52.037 0.194 0.000 0.643 438 A CB -0.562 18.568 19.000 0.217 0.000 0.806 438 A HN 0.702 nan 8.150 nan 0.000 0.451 439 Q N -0.929 118.973 119.800 0.170 0.000 2.224 439 Q HA -0.107 4.233 4.340 0.001 0.000 0.203 439 Q C 1.603 177.724 176.000 0.201 0.000 0.970 439 Q CA 1.127 56.946 55.803 0.027 0.000 0.865 439 Q CB -0.282 28.187 28.738 -0.449 0.000 0.922 439 Q HN 0.593 nan 8.270 nan 0.000 0.445 440 L N -0.114 121.202 121.223 0.155 0.000 2.291 440 L HA -0.070 4.270 4.340 0.001 0.000 0.214 440 L C 1.876 178.856 176.870 0.183 0.000 1.120 440 L CA 1.564 56.501 54.840 0.162 0.000 0.799 440 L CB -0.146 41.998 42.059 0.141 0.000 0.925 440 L HN 0.265 nan 8.230 nan 0.000 0.446 441 T N -5.455 109.213 114.554 0.190 0.000 3.275 441 T HA 0.169 4.520 4.350 0.001 0.000 0.298 441 T C 1.430 176.221 174.700 0.150 0.000 0.988 441 T CA -0.282 61.920 62.100 0.170 0.000 0.936 441 T CB -0.328 68.651 68.868 0.185 0.000 1.159 441 T HN -0.066 nan 8.240 nan 0.000 0.519 442 I N 3.139 123.838 120.570 0.215 0.000 2.185 442 I HA -0.286 3.885 4.170 0.001 0.000 0.246 442 I C 2.608 178.782 176.117 0.096 0.000 1.088 442 I CA 2.029 63.461 61.300 0.221 0.000 1.347 442 I CB -0.209 37.996 38.000 0.342 0.000 1.041 442 I HN 0.433 nan 8.210 nan 0.000 0.415 443 Q N -0.289 119.545 119.800 0.055 0.000 2.376 443 Q HA -0.264 4.076 4.340 0.001 0.000 0.211 443 Q C 1.707 177.669 176.000 -0.063 0.000 0.986 443 Q CA 1.657 57.454 55.803 -0.009 0.000 0.886 443 Q CB -0.819 27.913 28.738 -0.010 0.000 0.927 443 Q HN 0.504 nan 8.270 nan 0.000 0.457 444 E N 0.772 120.930 120.200 -0.070 0.000 2.418 444 E HA -0.021 4.330 4.350 0.001 0.000 0.197 444 E C 1.602 178.064 176.600 -0.228 0.000 1.026 444 E CA 0.086 56.362 56.400 -0.207 0.000 0.862 444 E CB -0.257 29.342 29.700 -0.169 0.000 0.799 444 E HN 0.349 nan 8.360 nan 0.000 0.518 445 L N -0.793 120.382 121.223 -0.081 0.000 2.201 445 L HA 0.060 4.400 4.340 0.001 0.000 0.212 445 L C 1.874 178.705 176.870 -0.064 0.000 1.105 445 L CA 1.951 56.771 54.840 -0.033 0.000 0.775 445 L CB -0.650 41.438 42.059 0.050 0.000 0.913 445 L HN 0.156 nan 8.230 nan 0.000 0.440 446 G N -1.751 106.994 108.800 -0.091 0.000 2.448 446 G HA2 -0.170 3.791 3.960 0.001 0.000 0.218 446 G HA3 -0.170 3.791 3.960 0.001 0.000 0.218 446 G C 1.533 176.359 174.900 -0.122 0.000 1.135 446 G CA 0.730 45.782 45.100 -0.081 0.000 0.784 446 G HN 0.464 nan 8.290 nan 0.000 0.543 447 S N 0.369 115.908 115.700 -0.268 0.000 2.387 447 S HA 0.003 4.474 4.470 0.001 0.000 0.226 447 S C 2.381 176.845 174.600 -0.227 0.000 1.026 447 S CA 0.919 58.880 58.200 -0.400 0.000 0.972 447 S CB -0.196 62.390 63.200 -1.023 0.000 0.814 447 S HN 0.344 nan 8.310 nan 0.000 0.477 448 M N 0.598 120.082 119.600 -0.194 0.000 2.117 448 M HA -0.097 4.383 4.480 0.001 0.000 0.262 448 M C 1.761 178.118 176.300 0.094 0.000 1.065 448 M CA 1.182 56.549 55.300 0.111 0.000 1.114 448 M CB -0.462 32.202 32.600 0.107 0.000 1.361 448 M HN 0.224 nan 8.290 nan 0.000 0.408 449 L N 0.116 121.362 121.223 0.039 0.000 1.994 449 L HA -0.166 4.174 4.340 0.001 0.000 0.208 449 L C 2.522 179.423 176.870 0.051 0.000 1.071 449 L CA 1.834 56.704 54.840 0.049 0.000 0.745 449 L CB -1.251 40.825 42.059 0.027 0.000 0.892 449 L HN 0.324 nan 8.230 nan 0.000 0.431 450 R N -0.206 120.315 120.500 0.035 0.000 2.103 450 R HA -0.178 4.162 4.340 0.001 0.000 0.242 450 R C 0.961 177.306 176.300 0.076 0.000 1.142 450 R CA 1.802 57.931 56.100 0.048 0.000 0.960 450 R CB -0.130 30.192 30.300 0.037 0.000 0.858 450 R HN 0.356 nan 8.270 nan 0.000 0.439 451 D N 0.622 121.091 120.400 0.114 0.000 2.328 451 D HA 0.022 4.662 4.640 0.001 0.000 0.226 451 D C -0.171 176.166 176.300 0.061 0.000 1.066 451 D CA 0.275 54.347 54.000 0.120 0.000 0.861 451 D CB 0.194 41.121 40.800 0.211 0.000 0.912 451 D HN 0.179 nan 8.370 nan 0.000 0.521 452 K N 0.900 121.330 120.400 0.049 0.000 3.148 452 K HA -0.224 4.096 4.320 0.001 0.000 0.267 452 K C -0.161 176.322 176.600 -0.195 0.000 0.996 452 K CA 0.405 56.693 56.287 0.002 0.000 0.737 452 K CB -1.384 31.135 32.500 0.032 0.000 1.308 452 K HN 0.400 nan 8.250 nan 0.000 0.470 453 Q N 0.318 120.054 119.800 -0.107 0.000 2.312 453 Q HA 0.194 4.534 4.340 0.001 0.000 0.236 453 Q C 0.189 176.100 176.000 -0.148 0.000 0.965 453 Q CA -0.424 55.273 55.803 -0.177 0.000 0.894 453 Q CB 0.704 29.460 28.738 0.030 0.000 1.225 453 Q HN 0.236 nan 8.270 nan 0.000 0.478 454 H N 0.466 119.617 119.070 0.135 0.000 2.355 454 H HA 0.336 4.892 4.556 0.001 0.000 0.232 454 H C -2.342 173.067 175.328 0.135 0.000 1.422 454 H CA -2.357 53.790 56.048 0.165 0.000 1.261 454 H CB -0.142 29.769 29.762 0.249 0.000 1.595 454 H HN 0.319 nan 8.280 nan 0.000 0.529 455 P HA 0.020 nan 4.420 nan 0.000 0.272 455 P C 0.381 177.771 177.300 0.149 0.000 1.223 455 P CA -0.344 62.828 63.100 0.121 0.000 0.784 455 P CB 1.051 32.814 31.700 0.106 0.000 0.923 456 I N 2.396 123.041 120.570 0.124 0.000 2.371 456 I HA 0.381 4.551 4.170 0.001 0.000 0.282 456 I C -1.011 175.164 176.117 0.097 0.000 1.031 456 I CA -0.235 61.148 61.300 0.138 0.000 1.180 456 I CB -0.179 37.925 38.000 0.174 0.000 1.336 456 I HN 0.101 nan 8.210 nan 0.000 0.467 457 I N 7.577 128.202 120.570 0.091 0.000 2.315 457 I HA 0.339 4.509 4.170 0.001 0.000 0.291 457 I C -0.867 175.269 176.117 0.033 0.000 1.006 457 I CA -0.574 60.762 61.300 0.061 0.000 1.265 457 I CB 1.164 39.209 38.000 0.075 0.000 1.387 457 I HN 0.439 nan 8.210 nan 0.000 0.475 458 L N 7.606 128.828 121.223 -0.002 0.000 2.298 458 L HA 0.442 4.782 4.340 0.001 0.000 0.284 458 L C -0.355 176.436 176.870 -0.132 0.000 1.013 458 L CA -0.425 54.389 54.840 -0.043 0.000 0.824 458 L CB 1.667 43.728 42.059 0.004 0.000 1.221 458 L HN 0.256 nan 8.230 nan 0.000 0.418 459 V N 4.816 124.594 119.914 -0.226 0.000 2.350 459 V HA 0.312 4.433 4.120 0.001 0.000 0.276 459 V C 0.267 176.098 176.094 -0.439 0.000 1.028 459 V CA -0.574 61.474 62.300 -0.419 0.000 0.860 459 V CB 1.403 32.779 31.823 -0.744 0.000 0.990 459 V HN 0.479 nan 8.190 nan 0.000 0.453 460 L N 4.963 125.942 121.223 -0.407 0.000 2.385 460 L HA 0.314 4.655 4.340 0.001 0.000 0.285 460 L C 0.535 177.198 176.870 -0.346 0.000 1.125 460 L CA -0.065 54.531 54.840 -0.406 0.000 0.890 460 L CB -0.015 41.822 42.059 -0.369 0.000 1.251 460 L HN 0.578 nan 8.230 nan 0.000 0.445 461 N N 3.819 122.326 118.700 -0.322 0.000 2.521 461 N HA 0.041 4.782 4.740 0.001 0.000 0.236 461 N C 0.084 175.514 175.510 -0.133 0.000 1.067 461 N CA -0.279 52.637 53.050 -0.224 0.000 0.939 461 N CB 0.461 38.847 38.487 -0.167 0.000 1.201 461 N HN 0.542 nan 8.380 nan 0.000 0.511 462 N N 1.837 120.472 118.700 -0.108 0.000 2.351 462 N HA 0.084 4.824 4.740 0.001 0.000 0.254 462 N C -0.883 174.594 175.510 -0.056 0.000 1.241 462 N CA -0.369 52.637 53.050 -0.074 0.000 0.883 462 N CB -0.259 38.187 38.487 -0.069 0.000 1.202 462 N HN 0.417 nan 8.380 nan 0.000 0.512 463 E N -0.332 119.840 120.200 -0.047 0.000 2.228 463 E HA -0.148 4.203 4.350 0.001 0.000 0.213 463 E C 0.318 176.852 176.600 -0.109 0.000 1.282 463 E CA 0.726 57.094 56.400 -0.052 0.000 0.707 463 E CB -1.684 27.993 29.700 -0.039 0.000 1.150 463 E HN 0.814 nan 8.360 nan 0.000 0.362 464 G N -0.327 108.387 108.800 -0.144 0.000 2.302 464 G HA2 -0.013 3.947 3.960 0.001 0.000 0.276 464 G HA3 -0.013 3.947 3.960 0.001 0.000 0.276 464 G C -1.502 173.323 174.900 -0.125 0.000 1.316 464 G CA -0.763 44.173 45.100 -0.274 0.000 0.988 464 G HN 0.112 nan 8.290 nan 0.000 0.479 465 Y N 1.953 122.247 120.300 -0.010 0.000 2.714 465 Y HA 0.401 4.952 4.550 0.000 0.000 0.333 465 Y C 2.193 178.099 175.900 0.010 0.000 1.220 465 Y CA -0.168 57.934 58.100 0.004 0.000 1.513 465 Y CB 0.068 38.543 38.460 0.026 0.000 1.435 465 Y HN 0.771 nan 8.280 nan 0.000 0.489 466 T N -3.187 111.442 114.554 0.125 0.000 2.833 466 T HA -0.172 4.178 4.350 0.001 0.000 0.269 466 T C 1.741 176.496 174.700 0.091 0.000 1.054 466 T CA 1.572 63.719 62.100 0.079 0.000 1.135 466 T CB -0.732 68.163 68.868 0.045 0.000 0.869 466 T HN 0.366 nan 8.240 nan 0.000 0.466 467 V N 0.565 120.543 119.914 0.108 0.000 2.343 467 V HA -0.090 4.030 4.120 0.001 0.000 0.247 467 V C 2.724 178.867 176.094 0.082 0.000 1.051 467 V CA 1.663 64.017 62.300 0.091 0.000 1.036 467 V CB -0.904 30.982 31.823 0.106 0.000 0.654 467 V HN 0.310 nan 8.190 nan 0.000 0.451 468 E N 0.919 121.186 120.200 0.112 0.000 2.072 468 E HA -0.146 4.204 4.350 0.001 0.000 0.191 468 E C 2.410 179.095 176.600 0.143 0.000 0.985 468 E CA 1.303 57.781 56.400 0.128 0.000 0.801 468 E CB -0.363 29.444 29.700 0.177 0.000 0.750 468 E HN 0.647 nan 8.360 nan 0.000 0.452 469 R N 0.621 121.193 120.500 0.120 0.000 2.096 469 R HA -0.057 4.283 4.340 0.001 0.000 0.235 469 R C 2.303 178.629 176.300 0.043 0.000 1.127 469 R CA 1.267 57.405 56.100 0.064 0.000 0.968 469 R CB -0.343 29.974 30.300 0.029 0.000 0.861 469 R HN 0.104 nan 8.270 nan 0.000 0.440 470 A N 0.807 123.654 122.820 0.045 0.000 2.015 470 A HA -0.082 4.238 4.320 0.001 0.000 0.219 470 A C 2.048 179.652 177.584 0.032 0.000 1.163 470 A CA 1.044 53.097 52.037 0.026 0.000 0.646 470 A CB -0.282 18.730 19.000 0.020 0.000 0.806 470 A HN 0.180 nan 8.150 nan 0.000 0.448 471 I N -2.437 118.169 120.570 0.060 0.000 2.400 471 I HA 0.039 4.209 4.170 0.001 0.000 0.248 471 I C 1.018 177.236 176.117 0.169 0.000 1.109 471 I CA 0.809 62.157 61.300 0.079 0.000 1.425 471 I CB 0.101 38.140 38.000 0.066 0.000 1.094 471 I HN 0.458 nan 8.210 nan 0.000 0.425 472 H N -0.471 118.634 119.070 0.060 0.000 3.114 472 H HA 0.203 4.759 4.556 0.001 0.000 0.325 472 H C -0.218 175.188 175.328 0.130 0.000 1.206 472 H CA 0.244 56.340 56.048 0.081 0.000 1.316 472 H CB 1.415 31.226 29.762 0.081 0.000 1.981 472 H HN 0.196 nan 8.280 nan 0.000 0.527 473 G N 2.165 110.713 108.800 -0.420 0.000 2.324 473 G HA2 -0.195 3.765 3.960 0.001 0.000 0.292 473 G HA3 -0.195 3.765 3.960 0.001 0.000 0.292 473 G C 1.130 175.927 174.900 -0.172 0.000 1.079 473 G CA 0.625 45.590 45.100 -0.225 0.000 1.026 473 G HN 1.035 nan 8.290 nan 0.000 0.506 474 A N -0.358 122.379 122.820 -0.137 0.000 1.986 474 A HA -0.002 4.318 4.320 0.001 0.000 0.220 474 A C 1.868 179.379 177.584 -0.122 0.000 1.171 474 A CA 2.037 54.017 52.037 -0.095 0.000 0.640 474 A CB -0.117 18.841 19.000 -0.071 0.000 0.811 474 A HN 0.686 nan 8.150 nan 0.000 0.451 475 E N -0.380 119.730 120.200 -0.149 0.000 2.499 475 E HA 0.081 4.432 4.350 0.001 0.000 0.199 475 E C -0.375 176.105 176.600 -0.200 0.000 1.016 475 E CA -0.350 55.964 56.400 -0.143 0.000 0.933 475 E CB 0.286 29.924 29.700 -0.104 0.000 1.050 475 E HN 0.494 nan 8.360 nan 0.000 0.462 476 Q N 0.844 120.446 119.800 -0.330 0.000 2.293 476 Q HA 0.133 4.473 4.340 0.001 0.000 0.251 476 Q C 0.842 176.546 176.000 -0.493 0.000 0.930 476 Q CA 0.140 55.632 55.803 -0.519 0.000 0.893 476 Q CB 1.457 29.555 28.738 -1.066 0.000 1.215 476 Q HN 0.164 nan 8.270 nan 0.000 0.425 477 R N 2.309 122.623 120.500 -0.311 0.000 2.127 477 R HA -0.213 4.127 4.340 0.001 0.000 0.238 477 R C 1.536 177.778 176.300 -0.097 0.000 1.134 477 R CA 1.862 57.870 56.100 -0.154 0.000 0.975 477 R CB -0.124 30.145 30.300 -0.051 0.000 0.865 477 R HN 0.683 nan 8.270 nan 0.000 0.447 478 Y N -1.487 118.836 120.300 0.037 0.000 2.574 478 Y HA 0.116 4.666 4.550 0.001 0.000 0.294 478 Y C 0.934 176.905 175.900 0.119 0.000 1.142 478 Y CA 0.266 58.409 58.100 0.072 0.000 1.314 478 Y CB -0.475 38.035 38.460 0.083 0.000 0.991 478 Y HN 0.002 nan 8.280 nan 0.000 0.555 479 N N 0.340 119.063 118.700 0.037 0.000 2.280 479 N HA 0.001 4.742 4.740 0.001 0.000 0.192 479 N C -0.666 174.733 175.510 -0.186 0.000 1.109 479 N CA 0.277 53.399 53.050 0.120 0.000 0.855 479 N CB 0.050 38.577 38.487 0.066 0.000 0.974 479 N HN 0.413 nan 8.380 nan 0.000 0.482 480 D N 0.722 121.008 120.400 -0.190 0.000 2.340 480 D HA 0.395 5.035 4.640 0.001 0.000 0.251 480 D C 0.792 176.893 176.300 -0.332 0.000 1.080 480 D CA -0.236 53.619 54.000 -0.242 0.000 0.971 480 D CB 1.751 42.467 40.800 -0.139 0.000 1.137 480 D HN 0.106 nan 8.370 nan 0.000 0.475 481 I N -3.363 117.021 120.570 -0.310 0.000 3.095 481 I HA 0.688 4.859 4.170 0.001 0.000 0.310 481 I C -0.615 175.395 176.117 -0.179 0.000 1.196 481 I CA -1.572 59.555 61.300 -0.289 0.000 0.985 481 I CB 1.872 39.621 38.000 -0.419 0.000 1.250 481 I HN 0.262 nan 8.210 nan 0.000 0.446 482 A N 4.022 126.756 122.820 -0.144 0.000 2.520 482 A HA 0.412 4.732 4.320 0.001 0.000 0.245 482 A C -0.133 177.390 177.584 -0.103 0.000 1.072 482 A CA -0.035 51.974 52.037 -0.045 0.000 0.761 482 A CB -0.192 18.870 19.000 0.104 0.000 1.004 482 A HN 0.646 nan 8.150 nan 0.000 0.499 483 L N 3.478 124.708 121.223 0.011 0.000 2.283 483 L HA 0.199 4.539 4.340 0.001 0.000 0.287 483 L C -0.376 176.590 176.870 0.160 0.000 1.073 483 L CA -0.523 54.343 54.840 0.044 0.000 0.822 483 L CB 0.218 42.303 42.059 0.042 0.000 1.186 483 L HN 0.722 nan 8.230 nan 0.000 0.436 484 W N 1.987 123.151 121.300 -0.227 0.000 2.298 484 W HA 0.221 4.881 4.660 0.000 0.000 0.358 484 W C 0.698 176.953 176.519 -0.440 0.000 1.241 484 W CA -1.226 55.824 57.345 -0.492 0.000 1.385 484 W CB 0.431 29.273 29.460 -1.031 0.000 1.225 484 W HN 0.436 nan 8.180 nan 0.000 0.654 485 N N 1.085 119.673 118.700 -0.186 0.000 3.228 485 N HA 0.086 4.827 4.740 0.001 0.000 0.289 485 N C 0.493 176.001 175.510 -0.005 0.000 1.419 485 N CA -0.427 52.572 53.050 -0.084 0.000 1.088 485 N CB 0.043 38.423 38.487 -0.178 0.000 1.357 485 N HN 0.342 nan 8.380 nan 0.000 0.504 486 W N 0.213 121.621 121.300 0.178 0.000 2.290 486 W HA -0.293 4.368 4.660 0.001 0.000 0.318 486 W C 2.679 179.283 176.519 0.143 0.000 1.248 486 W CA 1.650 59.100 57.345 0.174 0.000 1.263 486 W CB -0.814 28.736 29.460 0.151 0.000 1.147 486 W HN 0.406 nan 8.180 nan 0.000 0.494 487 T N -3.611 111.170 114.554 0.378 0.000 3.098 487 T HA -0.174 4.176 4.350 0.001 0.000 0.266 487 T C 0.906 175.663 174.700 0.096 0.000 1.145 487 T CA 1.576 63.810 62.100 0.223 0.000 1.092 487 T CB -0.539 68.432 68.868 0.173 0.000 0.908 487 T HN 0.231 nan 8.240 nan 0.000 0.526 488 H N -0.678 118.405 119.070 0.020 0.000 2.652 488 H HA 0.502 5.058 4.556 0.001 0.000 0.274 488 H C 1.638 176.932 175.328 -0.056 0.000 1.021 488 H CA -0.562 55.467 56.048 -0.033 0.000 1.187 488 H CB -0.114 29.613 29.762 -0.057 0.000 1.505 488 H HN 0.332 nan 8.280 nan 0.000 0.530 489 I N 0.832 121.438 120.570 0.061 0.000 2.252 489 I HA -0.110 4.060 4.170 0.001 0.000 0.245 489 I C -0.648 175.465 176.117 -0.007 0.000 1.102 489 I CA 0.736 62.030 61.300 -0.010 0.000 1.385 489 I CB -0.845 37.167 38.000 0.020 0.000 1.064 489 I HN 0.174 nan 8.210 nan 0.000 0.414 490 P HA -0.216 nan 4.420 nan 0.000 0.215 490 P C 1.142 178.430 177.300 -0.020 0.000 1.157 490 P CA 1.301 64.403 63.100 0.004 0.000 0.874 490 P CB -0.204 31.502 31.700 0.010 0.000 0.790 491 Q N -1.037 118.739 119.800 -0.039 0.000 2.541 491 Q HA 0.045 4.385 4.340 0.001 0.000 0.215 491 Q C 1.467 177.445 176.000 -0.036 0.000 0.977 491 Q CA 1.399 57.175 55.803 -0.044 0.000 0.934 491 Q CB -0.743 27.953 28.738 -0.068 0.000 0.988 491 Q HN 0.198 nan 8.270 nan 0.000 0.521 492 A N 0.695 123.491 122.820 -0.040 0.000 2.085 492 A HA 0.253 4.574 4.320 0.001 0.000 0.208 492 A C 1.689 179.239 177.584 -0.056 0.000 1.191 492 A CA -0.121 51.883 52.037 -0.056 0.000 0.799 492 A CB 0.210 19.158 19.000 -0.087 0.000 0.877 492 A HN 0.275 nan 8.150 nan 0.000 0.473 493 L N -0.043 121.152 121.223 -0.046 0.000 2.791 493 L HA 0.314 4.655 4.340 0.001 0.000 0.239 493 L C 0.358 177.213 176.870 -0.026 0.000 1.203 493 L CA 0.095 54.911 54.840 -0.041 0.000 1.002 493 L CB 0.220 42.255 42.059 -0.041 0.000 1.295 493 L HN 0.278 nan 8.230 nan 0.000 0.504 494 S N -0.967 114.720 115.700 -0.021 0.000 2.552 494 S HA 0.432 4.903 4.470 0.001 0.000 0.272 494 S C 0.222 174.815 174.600 -0.012 0.000 1.150 494 S CA -0.634 57.559 58.200 -0.011 0.000 0.849 494 S CB 1.328 64.527 63.200 -0.001 0.000 1.113 494 S HN 0.132 nan 8.310 nan 0.000 0.458 495 L N 1.511 122.730 121.223 -0.006 0.000 2.375 495 L HA 0.374 4.715 4.340 0.001 0.000 0.215 495 L C 0.424 177.290 176.870 -0.006 0.000 1.108 495 L CA 0.527 55.362 54.840 -0.007 0.000 0.830 495 L CB 0.136 42.193 42.059 -0.003 0.000 0.959 495 L HN 0.595 nan 8.230 nan 0.000 0.457 496 D N 0.117 120.517 120.400 0.000 0.000 2.586 496 D HA 0.206 4.846 4.640 0.001 0.000 0.254 496 D C -2.550 173.756 176.300 0.010 0.000 1.248 496 D CA -1.402 52.600 54.000 0.002 0.000 0.843 496 D CB 1.266 42.071 40.800 0.009 0.000 1.332 496 D HN -0.127 nan 8.370 nan 0.000 0.523 497 P HA 0.138 nan 4.420 nan 0.000 0.265 497 P C -0.263 177.050 177.300 0.021 0.000 1.222 497 P CA -0.135 62.971 63.100 0.011 0.000 0.767 497 P CB 0.510 32.205 31.700 -0.009 0.000 0.801 498 Q N 2.307 122.140 119.800 0.055 0.000 3.184 498 Q HA 0.269 4.609 4.340 0.001 0.000 0.288 498 Q C -0.106 175.944 176.000 0.083 0.000 1.412 498 Q CA 0.101 55.949 55.803 0.074 0.000 0.991 498 Q CB -0.612 28.206 28.738 0.134 0.000 1.688 498 Q HN 0.509 nan 8.270 nan 0.000 0.554 499 S N -0.725 114.995 115.700 0.034 0.000 2.625 499 S HA 0.673 5.143 4.470 0.001 0.000 0.271 499 S C -0.896 173.677 174.600 -0.044 0.000 1.161 499 S CA -1.055 57.163 58.200 0.030 0.000 0.820 499 S CB 2.183 65.408 63.200 0.042 0.000 1.137 499 S HN 0.140 nan 8.310 nan 0.000 0.470 500 E N -0.031 120.138 120.200 -0.052 0.000 2.272 500 E HA 0.581 4.931 4.350 0.001 0.000 0.269 500 E C -1.421 175.006 176.600 -0.288 0.000 0.877 500 E CA -0.447 55.792 56.400 -0.267 0.000 0.755 500 E CB 2.012 31.586 29.700 -0.209 0.000 1.192 500 E HN 0.788 nan 8.360 nan 0.000 0.422 501 C N 3.064 122.042 119.300 -0.537 0.000 2.634 501 C HA 0.645 5.106 4.460 0.001 0.000 0.313 501 C C -0.858 173.878 174.990 -0.424 0.000 1.198 501 C CA -0.735 58.124 59.018 -0.266 0.000 1.605 501 C CB 1.162 28.818 27.740 -0.139 0.000 2.196 501 C HN 0.618 nan 8.230 nan 0.000 0.486 502 W N 1.166 122.481 121.300 0.025 0.000 3.256 502 W HA 0.481 5.142 4.660 0.001 0.000 0.324 502 W C -0.414 176.123 176.519 0.030 0.000 1.196 502 W CA -0.571 56.786 57.345 0.020 0.000 1.206 502 W CB 1.686 31.145 29.460 -0.000 0.000 1.385 502 W HN 0.569 nan 8.180 nan 0.000 0.522 503 R N 2.419 123.083 120.500 0.273 0.000 2.272 503 R HA 0.548 4.888 4.340 0.001 0.000 0.323 503 R C -1.384 175.002 176.300 0.143 0.000 1.002 503 R CA -0.186 56.019 56.100 0.174 0.000 0.900 503 R CB 0.996 31.384 30.300 0.146 0.000 1.151 503 R HN 0.239 nan 8.270 nan 0.000 0.507 504 V N 3.327 123.297 119.914 0.094 0.000 2.532 504 V HA 0.303 4.423 4.120 0.001 0.000 0.295 504 V C 0.609 176.713 176.094 0.016 0.000 1.041 504 V CA 0.007 62.334 62.300 0.045 0.000 0.926 504 V CB 1.862 33.686 31.823 0.001 0.000 0.992 504 V HN 0.994 nan 8.190 nan 0.000 0.457 505 S N 1.130 116.838 115.700 0.012 0.000 2.817 505 S HA 0.325 4.795 4.470 0.001 0.000 0.262 505 S C -0.014 174.587 174.600 0.001 0.000 1.051 505 S CA -0.499 57.703 58.200 0.003 0.000 1.185 505 S CB 0.440 63.647 63.200 0.010 0.000 1.152 505 S HN 0.632 nan 8.310 nan 0.000 0.653 506 E N 1.058 121.258 120.200 -0.001 0.000 2.256 506 E HA 0.684 5.035 4.350 0.001 0.000 0.267 506 E C 0.643 177.235 176.600 -0.013 0.000 0.892 506 E CA -0.291 56.107 56.400 -0.003 0.000 0.775 506 E CB 1.691 31.389 29.700 -0.003 0.000 1.207 506 E HN 0.140 nan 8.360 nan 0.000 0.420 507 A N 2.167 124.980 122.820 -0.011 0.000 1.978 507 A HA -0.211 4.109 4.320 0.001 0.000 0.220 507 A C 1.598 179.154 177.584 -0.047 0.000 1.170 507 A CA 1.366 53.388 52.037 -0.026 0.000 0.636 507 A CB -0.234 18.756 19.000 -0.016 0.000 0.810 507 A HN 0.465 nan 8.150 nan 0.000 0.448 508 E N 0.029 120.208 120.200 -0.036 0.000 2.106 508 E HA -0.187 4.163 4.350 0.001 0.000 0.192 508 E C 2.169 178.731 176.600 -0.063 0.000 0.984 508 E CA 1.225 57.599 56.400 -0.043 0.000 0.806 508 E CB -0.437 29.247 29.700 -0.026 0.000 0.750 508 E HN 0.792 nan 8.360 nan 0.000 0.458 509 Q N 0.471 120.237 119.800 -0.057 0.000 2.020 509 Q HA -0.087 4.253 4.340 0.001 0.000 0.202 509 Q C 2.402 178.316 176.000 -0.144 0.000 0.982 509 Q CA 0.805 56.562 55.803 -0.078 0.000 0.838 509 Q CB -0.188 28.527 28.738 -0.038 0.000 0.899 509 Q HN 0.229 nan 8.270 nan 0.000 0.423 510 L N 0.487 121.634 121.223 -0.126 0.000 2.012 510 L HA -0.222 4.119 4.340 0.001 0.000 0.210 510 L C 2.312 179.045 176.870 -0.228 0.000 1.073 510 L CA 1.658 56.392 54.840 -0.176 0.000 0.748 510 L CB -0.716 41.272 42.059 -0.119 0.000 0.891 510 L HN 0.238 nan 8.230 nan 0.000 0.431 511 A N -0.024 122.695 122.820 -0.167 0.000 1.892 511 A HA -0.278 4.043 4.320 0.001 0.000 0.218 511 A C 1.843 179.331 177.584 -0.159 0.000 1.188 511 A CA 2.175 54.124 52.037 -0.148 0.000 0.631 511 A CB -0.674 18.271 19.000 -0.092 0.000 0.822 511 A HN 0.565 nan 8.150 nan 0.000 0.447 512 D N -0.463 119.840 120.400 -0.160 0.000 2.123 512 D HA -0.067 4.574 4.640 0.001 0.000 0.200 512 D C 2.075 178.211 176.300 -0.273 0.000 0.976 512 D CA 1.346 55.246 54.000 -0.165 0.000 0.831 512 D CB -0.496 40.228 40.800 -0.127 0.000 0.974 512 D HN 0.237 nan 8.370 nan 0.000 0.469 513 V N 1.453 121.114 119.914 -0.422 0.000 2.407 513 V HA -0.188 3.933 4.120 0.001 0.000 0.248 513 V C 2.623 178.390 176.094 -0.546 0.000 1.055 513 V CA 1.015 62.880 62.300 -0.725 0.000 1.049 513 V CB -0.390 30.858 31.823 -0.958 0.000 0.662 513 V HN 0.191 nan 8.190 nan 0.000 0.455 514 L N -0.336 120.621 121.223 -0.444 0.000 2.141 514 L HA -0.161 4.179 4.340 0.001 0.000 0.209 514 L C 2.572 179.364 176.870 -0.131 0.000 1.094 514 L CA 1.566 56.118 54.840 -0.479 0.000 0.763 514 L CB -0.456 41.168 42.059 -0.726 0.000 0.908 514 L HN 0.424 nan 8.230 nan 0.000 0.437 515 E N 0.452 120.596 120.200 -0.094 0.000 2.152 515 E HA -0.187 4.163 4.350 0.001 0.000 0.192 515 E C 2.031 178.641 176.600 0.017 0.000 0.983 515 E CA 0.797 57.207 56.400 0.017 0.000 0.818 515 E CB 0.266 29.964 29.700 -0.004 0.000 0.758 515 E HN 0.442 nan 8.360 nan 0.000 0.467 516 K N 0.195 120.548 120.400 -0.078 0.000 2.001 516 K HA -0.115 4.206 4.320 0.001 0.000 0.208 516 K C 2.156 178.771 176.600 0.026 0.000 1.048 516 K CA 1.610 57.870 56.287 -0.044 0.000 0.932 516 K CB -0.142 32.270 32.500 -0.146 0.000 0.715 516 K HN 0.143 nan 8.250 nan 0.000 0.437 517 V N -1.618 118.283 119.914 -0.022 0.000 3.573 517 V HA 0.160 4.280 4.120 0.001 0.000 0.270 517 V C 1.953 178.167 176.094 0.199 0.000 1.221 517 V CA 0.973 63.329 62.300 0.094 0.000 1.163 517 V CB -0.460 31.400 31.823 0.061 0.000 0.847 517 V HN 0.189 nan 8.190 nan 0.000 0.468 518 A N 0.939 123.893 122.820 0.224 0.000 1.954 518 A HA -0.312 4.008 4.320 0.001 0.000 0.222 518 A C 1.803 179.390 177.584 0.005 0.000 1.199 518 A CA 2.694 54.852 52.037 0.201 0.000 0.657 518 A CB -1.104 17.960 19.000 0.107 0.000 0.823 518 A HN 0.809 nan 8.150 nan 0.000 0.463 519 H N -0.641 118.476 119.070 0.078 0.000 2.537 519 H HA 0.142 4.698 4.556 0.001 0.000 0.295 519 H C 0.137 175.245 175.328 -0.367 0.000 1.054 519 H CA 0.304 56.295 56.048 -0.095 0.000 1.156 519 H CB -0.439 29.247 29.762 -0.127 0.000 1.468 519 H HN 0.805 nan 8.280 nan 0.000 0.551 520 H N 0.125 119.275 119.070 0.134 0.000 2.111 520 H HA -0.201 4.355 4.556 0.001 0.000 0.315 520 H C -0.259 175.082 175.328 0.023 0.000 0.885 520 H CA 0.703 56.821 56.048 0.118 0.000 1.042 520 H CB -1.579 28.278 29.762 0.159 0.000 1.589 520 H HN 0.572 nan 8.280 nan 0.000 0.316 521 E N 0.914 121.041 120.200 -0.121 0.000 2.489 521 E HA 0.225 4.576 4.350 0.001 0.000 0.193 521 E C 0.570 176.810 176.600 -0.600 0.000 1.057 521 E CA 0.288 56.510 56.400 -0.297 0.000 0.866 521 E CB 0.545 30.156 29.700 -0.148 0.000 0.916 521 E HN 0.610 nan 8.360 nan 0.000 0.500 522 R N -0.176 120.096 120.500 -0.379 0.000 2.712 522 R HA 0.215 4.555 4.340 0.001 0.000 0.272 522 R C -1.532 174.873 176.300 0.175 0.000 1.032 522 R CA -1.021 54.964 56.100 -0.191 0.000 0.874 522 R CB 0.950 31.233 30.300 -0.028 0.000 1.256 522 R HN -0.015 nan 8.270 nan 0.000 0.468 523 L N 2.531 123.939 121.223 0.308 0.000 2.559 523 L HA 0.188 4.528 4.340 0.001 0.000 0.274 523 L C -0.541 176.445 176.870 0.192 0.000 1.205 523 L CA 1.003 55.992 54.840 0.249 0.000 0.907 523 L CB 0.336 42.514 42.059 0.199 0.000 1.153 523 L HN 0.743 nan 8.230 nan 0.000 0.490 524 S N 5.882 121.706 115.700 0.207 0.000 2.561 524 S HA 0.646 5.116 4.470 0.001 0.000 0.303 524 S C -0.838 173.888 174.600 0.210 0.000 1.110 524 S CA -0.927 57.418 58.200 0.242 0.000 1.034 524 S CB 2.049 65.440 63.200 0.318 0.000 1.010 524 S HN 0.569 nan 8.310 nan 0.000 0.482 525 L N 3.737 125.086 121.223 0.209 0.000 2.319 525 L HA 0.662 5.002 4.340 0.001 0.000 0.281 525 L C -1.344 175.658 176.870 0.219 0.000 1.005 525 L CA -0.925 54.021 54.840 0.177 0.000 0.828 525 L CB 0.828 42.982 42.059 0.158 0.000 1.227 525 L HN 0.829 nan 8.230 nan 0.000 0.415 526 I N 4.603 125.268 120.570 0.158 0.000 2.354 526 I HA 0.324 4.495 4.170 0.001 0.000 0.286 526 I C -0.045 176.100 176.117 0.046 0.000 1.007 526 I CA -0.481 60.905 61.300 0.144 0.000 1.167 526 I CB 1.553 39.587 38.000 0.057 0.000 1.320 526 I HN 0.626 nan 8.210 nan 0.000 0.458 527 E N 6.855 127.099 120.200 0.073 0.000 2.105 527 E HA 0.276 4.627 4.350 0.001 0.000 0.285 527 E C -1.174 175.398 176.600 -0.046 0.000 1.055 527 E CA -0.511 55.877 56.400 -0.021 0.000 0.843 527 E CB 1.011 30.766 29.700 0.092 0.000 1.067 527 E HN 0.390 nan 8.360 nan 0.000 0.398 528 V N 6.693 126.518 119.914 -0.149 0.000 2.320 528 V HA 0.150 4.270 4.120 0.001 0.000 0.265 528 V C 0.271 176.253 176.094 -0.186 0.000 1.048 528 V CA -0.671 61.529 62.300 -0.167 0.000 0.865 528 V CB 0.758 32.407 31.823 -0.289 0.000 1.043 528 V HN 0.798 nan 8.190 nan 0.000 0.474 529 M N 6.526 126.065 119.600 -0.102 0.000 2.217 529 M HA 0.440 4.921 4.480 0.001 0.000 0.352 529 M C -0.514 175.723 176.300 -0.105 0.000 1.376 529 M CA 0.492 55.742 55.300 -0.082 0.000 1.107 529 M CB 0.023 32.606 32.600 -0.028 0.000 1.723 529 M HN 0.416 nan 8.290 nan 0.000 0.461 530 L N 4.265 125.420 121.223 -0.113 0.000 2.376 530 L HA 0.576 4.917 4.340 0.001 0.000 0.258 530 L C -2.262 174.570 176.870 -0.063 0.000 1.013 530 L CA -2.032 52.745 54.840 -0.105 0.000 0.822 530 L CB 2.642 44.600 42.059 -0.168 0.000 1.388 530 L HN 0.422 nan 8.230 nan 0.000 0.413 531 P HA 0.059 nan 4.420 nan 0.000 0.268 531 P C -0.020 177.266 177.300 -0.024 0.000 1.205 531 P CA -0.257 62.829 63.100 -0.024 0.000 0.771 531 P CB 0.737 32.432 31.700 -0.009 0.000 0.858 532 K N 3.016 123.402 120.400 -0.024 0.000 2.113 532 K HA -0.190 4.130 4.320 0.001 0.000 0.208 532 K C 1.250 177.842 176.600 -0.014 0.000 1.047 532 K CA 1.878 58.150 56.287 -0.025 0.000 0.928 532 K CB -0.306 32.176 32.500 -0.031 0.000 0.716 532 K HN 0.493 nan 8.250 nan 0.000 0.446 533 A N 0.435 123.249 122.820 -0.008 0.000 2.390 533 A HA 0.064 4.384 4.320 0.001 0.000 0.232 533 A C -0.153 177.438 177.584 0.012 0.000 1.233 533 A CA -0.312 51.724 52.037 -0.000 0.000 0.907 533 A CB 0.155 19.151 19.000 -0.006 0.000 0.967 533 A HN 0.281 nan 8.150 nan 0.000 0.512 534 D N 0.629 121.038 120.400 0.015 0.000 2.401 534 D HA 0.320 4.961 4.640 0.001 0.000 0.254 534 D C -1.016 175.315 176.300 0.052 0.000 1.192 534 D CA 0.594 54.614 54.000 0.032 0.000 0.885 534 D CB 0.334 41.152 40.800 0.030 0.000 1.147 534 D HN 0.096 nan 8.370 nan 0.000 0.478 535 I N 5.071 125.677 120.570 0.061 0.000 2.608 535 I HA 0.340 4.511 4.170 0.001 0.000 0.295 535 I C -2.195 173.975 176.117 0.088 0.000 1.049 535 I CA -2.384 58.961 61.300 0.074 0.000 1.063 535 I CB 2.168 40.195 38.000 0.044 0.000 1.248 535 I HN 0.233 nan 8.210 nan 0.000 0.424 536 P HA 0.270 nan 4.420 nan 0.000 0.272 536 P C -2.159 175.161 177.300 0.034 0.000 1.223 536 P CA -0.949 62.203 63.100 0.087 0.000 0.784 536 P CB 0.162 31.897 31.700 0.058 0.000 0.923 537 P HA -0.239 nan 4.420 nan 0.000 0.214 537 P C 1.482 178.763 177.300 -0.031 0.000 1.172 537 P CA 1.090 64.188 63.100 -0.003 0.000 0.925 537 P CB -0.270 31.428 31.700 -0.002 0.000 0.793 538 L N -1.081 120.117 121.223 -0.042 0.000 2.013 538 L HA -0.185 4.155 4.340 0.001 0.000 0.212 538 L C 2.224 179.012 176.870 -0.136 0.000 1.073 538 L CA 1.804 56.597 54.840 -0.078 0.000 0.753 538 L CB -1.570 40.459 42.059 -0.050 0.000 0.890 538 L HN -0.134 nan 8.230 nan 0.000 0.432 539 L N 0.155 121.314 121.223 -0.107 0.000 2.081 539 L HA -0.127 4.213 4.340 0.001 0.000 0.212 539 L C 2.339 179.121 176.870 -0.145 0.000 1.080 539 L CA 2.104 56.841 54.840 -0.171 0.000 0.754 539 L CB -1.499 40.554 42.059 -0.009 0.000 0.893 539 L HN 0.395 nan 8.230 nan 0.000 0.433 540 G N -1.358 107.392 108.800 -0.083 0.000 2.446 540 G HA2 -0.274 3.686 3.960 0.001 0.000 0.217 540 G HA3 -0.274 3.686 3.960 0.001 0.000 0.217 540 G C 1.608 176.453 174.900 -0.091 0.000 1.168 540 G CA 0.987 46.048 45.100 -0.066 0.000 0.771 540 G HN 0.645 nan 8.290 nan 0.000 0.551 541 A N 0.574 123.329 122.820 -0.108 0.000 1.851 541 A HA 0.001 4.321 4.320 0.001 0.000 0.216 541 A C 2.405 179.897 177.584 -0.152 0.000 1.195 541 A CA 1.787 53.755 52.037 -0.115 0.000 0.622 541 A CB -0.735 18.195 19.000 -0.118 0.000 0.831 541 A HN 0.453 nan 8.150 nan 0.000 0.444 542 L N -0.609 120.476 121.223 -0.230 0.000 2.081 542 L HA -0.155 4.185 4.340 0.001 0.000 0.212 542 L C 2.584 179.320 176.870 -0.222 0.000 1.080 542 L CA 2.679 57.345 54.840 -0.291 0.000 0.754 542 L CB -0.803 40.943 42.059 -0.523 0.000 0.893 542 L HN 0.423 nan 8.230 nan 0.000 0.433 543 T N -1.068 113.374 114.554 -0.186 0.000 2.708 543 T HA -0.241 4.110 4.350 0.001 0.000 0.266 543 T C 1.986 176.642 174.700 -0.073 0.000 1.037 543 T CA 1.698 63.731 62.100 -0.113 0.000 1.146 543 T CB -0.107 68.714 68.868 -0.078 0.000 0.865 543 T HN 0.327 nan 8.240 nan 0.000 0.435 544 K N 0.201 120.558 120.400 -0.070 0.000 2.148 544 K HA 0.031 4.351 4.320 0.001 0.000 0.204 544 K C 2.294 178.866 176.600 -0.047 0.000 1.050 544 K CA 1.078 57.338 56.287 -0.046 0.000 0.942 544 K CB -0.216 32.258 32.500 -0.043 0.000 0.724 544 K HN 0.302 nan 8.250 nan 0.000 0.446 545 A N 1.015 123.791 122.820 -0.072 0.000 1.929 545 A HA -0.050 4.270 4.320 0.001 0.000 0.216 545 A C 2.022 179.569 177.584 -0.061 0.000 1.176 545 A CA 0.833 52.828 52.037 -0.068 0.000 0.628 545 A CB -0.417 18.522 19.000 -0.102 0.000 0.816 545 A HN 0.260 nan 8.150 nan 0.000 0.444 546 L N -0.828 120.349 121.223 -0.076 0.000 2.017 546 L HA -0.198 4.142 4.340 0.001 0.000 0.208 546 L C 2.640 179.489 176.870 -0.034 0.000 1.073 546 L CA 1.936 56.738 54.840 -0.063 0.000 0.745 546 L CB -0.434 41.581 42.059 -0.073 0.000 0.894 546 L HN 0.547 nan 8.230 nan 0.000 0.432 547 E N 0.332 120.522 120.200 -0.017 0.000 2.208 547 E HA -0.153 4.197 4.350 0.001 0.000 0.193 547 E C 2.054 178.655 176.600 0.002 0.000 0.988 547 E CA 1.038 57.442 56.400 0.007 0.000 0.828 547 E CB 0.058 29.785 29.700 0.046 0.000 0.763 547 E HN 0.378 nan 8.360 nan 0.000 0.478 548 A N -0.131 122.686 122.820 -0.005 0.000 1.969 548 A HA -0.167 4.154 4.320 0.001 0.000 0.218 548 A C 2.365 179.949 177.584 0.000 0.000 1.169 548 A CA 1.328 53.365 52.037 -0.001 0.000 0.635 548 A CB -0.831 18.167 19.000 -0.004 0.000 0.810 548 A HN 0.518 nan 8.150 nan 0.000 0.445 549 C N -0.045 119.253 119.300 -0.004 0.000 2.450 549 C HA -0.019 4.441 4.460 0.001 0.000 0.279 549 C C 2.323 177.306 174.990 -0.011 0.000 1.335 549 C CA 0.812 59.830 59.018 0.001 0.000 1.749 549 C CB -1.290 26.451 27.740 0.002 0.000 1.963 549 C HN 0.606 nan 8.230 nan 0.000 0.501 550 N N 1.564 120.249 118.700 -0.025 0.000 2.512 550 N HA 0.021 4.762 4.740 0.001 0.000 0.183 550 N C 0.193 175.681 175.510 -0.036 0.000 1.073 550 N CA 0.768 53.791 53.050 -0.046 0.000 0.911 550 N CB -0.142 38.297 38.487 -0.081 0.000 0.964 550 N HN 0.655 nan 8.380 nan 0.000 0.447 551 N N 0.000 118.691 118.700 -0.015 0.000 1.763 551 N HA 0.000 4.740 4.740 0.001 0.000 0.220 551 N CA 0.000 53.046 53.050 -0.006 0.000 0.885 551 N CB 0.000 38.491 38.487 0.006 0.000 1.341 551 N HN 0.000 nan 8.380 nan 0.000 0.667