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 3g0b_1_C DATA FIRST_RESID 41 DATA SEQUENCE KTYTLTDYLK NTYRLKLYSL RWISDHEYLY KQENNILVFN AEYGNSSVFL DATA SEQUENCE ENSTFDEFGH SINDYSISPD GQFILLEYNY VKQWRHSYTA SYDIYDLNKR DATA SEQUENCE QLITEERIPN NTQWVTWSPV GHKLAYVWNN DIYVKIEPNL PSYRITWTGK DATA SEQUENCE EDIIYNGITD WVYEEEVFSA YSALWWSPNG TFLAYAQFND TEVPLIEYSF DATA SEQUENCE YSDESLQYPK TVRVPYPKAG AVNPTVKFFV VNTDSLSSVT NATSIQITAP DATA SEQUENCE ASMLIGDHYL CDVTWATQER ISLQWLRRIQ NYSVMDIcDY DESSGRWNcL DATA SEQUENCE VARQHIEMST TGWVGRFRPS EPHFTLDGNS FYKIISNEEG YRHIcYFQID DATA SEQUENCE KKDcTFITKG TWEVIGIEAL TSDYLYYISN EYKGMPGGRN LYKIQLSDYT DATA SEQUENCE KVTCLSCELN PERcQYYSVS FSKEAKYYQL RcSGPGLPLY TLHSSVNDKG DATA SEQUENCE LRVLEDNSAL DKMLQNVQMP SKKLDFIILN ETKFWYQMIL PPHFDKSKKY DATA SEQUENCE PLLLDVYAGP CSQKADTVFR LNWATYLAST ENIIVASFDG RGSGYQGDKI DATA SEQUENCE MHAINRRLGT FEVEDQIEAA RQFSKMGFVD NKRIAIWGWS YGGYVTSMVL DATA SEQUENCE GSGSGVFKcG IAVAPVSRWE YYDSVYTERY MGLPTPEDNL DHYRNSTVMS DATA SEQUENCE RAENFKQVEY LLIHGTADDN VHFQQSAQIS KALVDVGVDF QAMWYTDEDH DATA SEQUENCE GIASSTAHQH IYTHMSHFIK QcFSLP 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 41 K HA 0.000 nan 4.320 nan 0.000 0.191 41 K C 0.000 176.673 176.600 0.122 0.000 0.988 41 K CA 0.000 56.352 56.287 0.109 0.000 0.838 41 K CB 0.000 32.571 32.500 0.117 0.000 1.064 42 T N -2.025 112.614 114.554 0.142 0.000 2.949 42 T HA 0.348 4.698 4.350 0.000 0.000 0.287 42 T C -0.835 174.005 174.700 0.233 0.000 1.034 42 T CA -0.731 61.470 62.100 0.167 0.000 1.018 42 T CB 0.912 69.877 68.868 0.162 0.000 1.135 42 T HN 0.521 nan 8.240 nan 0.000 0.532 43 Y N 2.770 123.148 120.300 0.129 0.000 2.585 43 Y HA 0.376 4.926 4.550 0.000 0.000 0.354 43 Y C 0.951 177.028 175.900 0.295 0.000 1.024 43 Y CA -0.320 57.901 58.100 0.202 0.000 1.321 43 Y CB -0.240 38.293 38.460 0.122 0.000 1.151 43 Y HN 1.009 nan 8.280 nan 0.000 0.525 44 T N 2.332 116.899 114.554 0.023 0.000 2.824 44 T HA 0.116 4.466 4.350 0.000 0.000 0.277 44 T C 0.991 175.596 174.700 -0.160 0.000 0.975 44 T CA -0.733 61.418 62.100 0.084 0.000 0.966 44 T CB 1.175 70.060 68.868 0.029 0.000 1.054 44 T HN 0.664 nan 8.240 nan 0.000 0.533 45 L N 0.952 121.882 121.223 -0.488 0.000 2.046 45 L HA 0.010 4.351 4.340 0.000 0.000 0.208 45 L C 2.665 179.372 176.870 -0.272 0.000 1.077 45 L CA 2.161 56.575 54.840 -0.710 0.000 0.747 45 L CB -1.618 39.899 42.059 -0.902 0.000 0.896 45 L HN 0.964 nan 8.230 nan 0.000 0.432 46 T N -0.352 114.076 114.554 -0.211 0.000 2.759 46 T HA -0.175 4.175 4.350 0.000 0.000 0.269 46 T C 1.480 176.080 174.700 -0.168 0.000 1.042 46 T CA 1.543 63.552 62.100 -0.152 0.000 1.140 46 T CB -0.368 68.436 68.868 -0.107 0.000 0.864 46 T HN 0.434 nan 8.240 nan 0.000 0.455 47 D N 0.078 120.344 120.400 -0.223 0.000 2.117 47 D HA -0.094 4.546 4.640 0.000 0.000 0.197 47 D C 1.770 177.943 176.300 -0.212 0.000 0.987 47 D CA 1.020 54.847 54.000 -0.288 0.000 0.829 47 D CB -0.392 40.153 40.800 -0.425 0.000 0.961 47 D HN 0.426 nan 8.370 nan 0.000 0.460 48 Y N 1.534 121.633 120.300 -0.335 0.000 2.181 48 Y HA -0.111 4.439 4.550 0.000 0.000 0.288 48 Y C 2.139 178.039 175.900 -0.000 0.000 1.146 48 Y CA 1.184 59.268 58.100 -0.027 0.000 1.164 48 Y CB -0.483 38.033 38.460 0.093 0.000 0.982 48 Y HN -0.095 nan 8.280 nan 0.000 0.515 49 L N -0.252 120.802 121.223 -0.283 0.000 2.240 49 L HA -0.085 4.255 4.340 0.000 0.000 0.211 49 L C 1.737 178.492 176.870 -0.192 0.000 1.106 49 L CA 0.973 55.614 54.840 -0.331 0.000 0.793 49 L CB -0.291 41.637 42.059 -0.218 0.000 0.927 49 L HN 0.012 nan 8.230 nan 0.000 0.446 50 K N 0.182 120.493 120.400 -0.149 0.000 2.358 50 K HA 0.153 4.474 4.320 0.000 0.000 0.197 50 K C -0.206 176.337 176.600 -0.095 0.000 1.025 50 K CA -0.102 56.121 56.287 -0.107 0.000 1.104 50 K CB 0.065 32.504 32.500 -0.101 0.000 0.855 50 K HN 0.185 nan 8.250 nan 0.000 0.531 51 N N 0.715 119.364 118.700 -0.084 0.000 2.714 51 N HA -0.164 4.576 4.740 0.000 0.000 0.253 51 N C 0.301 175.781 175.510 -0.050 0.000 1.024 51 N CA 0.892 53.931 53.050 -0.019 0.000 0.726 51 N CB -1.673 36.805 38.487 -0.014 0.000 0.908 51 N HN 0.086 nan 8.380 nan 0.000 0.542 52 T N -1.350 113.118 114.554 -0.143 0.000 2.821 52 T HA -0.140 4.210 4.350 0.000 0.000 0.267 52 T C 0.320 174.761 174.700 -0.431 0.000 1.046 52 T CA 1.234 63.119 62.100 -0.358 0.000 1.139 52 T CB -0.104 68.423 68.868 -0.568 0.000 0.871 52 T HN 0.393 nan 8.240 nan 0.000 0.454 53 Y N 1.756 122.153 120.300 0.162 0.000 2.717 53 Y HA 0.496 5.046 4.550 0.000 0.000 0.329 53 Y C 0.431 176.450 175.900 0.198 0.000 1.017 53 Y CA -1.175 57.048 58.100 0.205 0.000 1.275 53 Y CB 0.218 38.860 38.460 0.304 0.000 1.109 53 Y HN -0.133 nan 8.280 nan 0.000 0.511 54 R N 2.817 123.455 120.500 0.230 0.000 2.308 54 R HA 0.466 4.806 4.340 0.000 0.000 0.305 54 R C -0.846 175.568 176.300 0.189 0.000 1.053 54 R CA -0.569 55.636 56.100 0.175 0.000 0.957 54 R CB 0.645 31.006 30.300 0.101 0.000 1.022 54 R HN 0.645 nan 8.270 nan 0.000 0.461 55 L N 4.607 125.946 121.223 0.193 0.000 2.313 55 L HA 0.222 4.562 4.340 0.000 0.000 0.282 55 L C 0.380 177.336 176.870 0.143 0.000 1.092 55 L CA 0.117 55.070 54.840 0.189 0.000 0.831 55 L CB 0.787 42.979 42.059 0.222 0.000 1.159 55 L HN 0.422 nan 8.230 nan 0.000 0.442 56 K N 3.019 123.497 120.400 0.130 0.000 2.249 56 K HA 0.474 4.795 4.320 0.000 0.000 0.280 56 K C -0.773 175.867 176.600 0.067 0.000 1.033 56 K CA -0.662 55.681 56.287 0.093 0.000 0.946 56 K CB 1.094 33.648 32.500 0.089 0.000 1.005 56 K HN 0.241 nan 8.250 nan 0.000 0.469 57 L N 2.245 123.446 121.223 -0.036 0.000 2.313 57 L HA 0.345 4.685 4.340 0.000 0.000 0.268 57 L C -0.847 175.770 176.870 -0.422 0.000 1.010 57 L CA -0.436 54.235 54.840 -0.280 0.000 0.814 57 L CB 0.725 42.732 42.059 -0.087 0.000 1.304 57 L HN 0.488 nan 8.230 nan 0.000 0.441 58 Y N 0.505 120.178 120.300 -1.045 0.000 2.748 58 Y HA 0.383 4.934 4.550 0.000 0.000 0.359 58 Y C 0.015 175.738 175.900 -0.295 0.000 1.030 58 Y CA -0.214 57.530 58.100 -0.593 0.000 1.169 58 Y CB 1.184 39.181 38.460 -0.772 0.000 1.127 58 Y HN 0.505 nan 8.280 nan 0.000 0.644 59 S N 5.338 120.981 115.700 -0.094 0.000 2.405 59 S HA 0.439 4.909 4.470 0.000 0.000 0.291 59 S C -0.525 174.056 174.600 -0.033 0.000 1.137 59 S CA -0.579 57.602 58.200 -0.031 0.000 1.061 59 S CB -0.729 62.465 63.200 -0.011 0.000 1.001 59 S HN 0.584 nan 8.310 nan 0.000 0.507 60 L N 3.529 124.694 121.223 -0.097 0.000 2.298 60 L HA 0.895 5.235 4.340 0.000 0.000 0.268 60 L C -0.299 176.501 176.870 -0.117 0.000 1.010 60 L CA -0.953 53.787 54.840 -0.168 0.000 0.812 60 L CB 0.936 42.621 42.059 -0.624 0.000 1.331 60 L HN 0.573 nan 8.230 nan 0.000 0.450 61 R N -0.745 119.702 120.500 -0.087 0.000 2.510 61 R HA 0.411 4.751 4.340 0.000 0.000 0.294 61 R C -2.136 174.191 176.300 0.046 0.000 1.056 61 R CA -0.588 55.519 56.100 0.010 0.000 0.918 61 R CB 0.385 30.738 30.300 0.088 0.000 1.187 61 R HN 0.717 nan 8.270 nan 0.000 0.437 62 W N 5.142 126.556 121.300 0.190 0.000 2.666 62 W HA 0.179 4.840 4.660 0.000 0.000 0.365 62 W C 1.652 178.269 176.519 0.163 0.000 1.224 62 W CA -0.709 56.756 57.345 0.201 0.000 1.515 62 W CB 0.334 29.904 29.460 0.183 0.000 1.562 62 W HN 0.722 nan 8.180 nan 0.000 0.455 63 I N 0.551 121.315 120.570 0.324 0.000 2.394 63 I HA -0.108 4.062 4.170 0.000 0.000 0.251 63 I C 1.240 177.489 176.117 0.220 0.000 1.136 63 I CA 1.181 62.608 61.300 0.213 0.000 1.425 63 I CB -0.284 37.782 38.000 0.110 0.000 1.079 63 I HN 0.195 nan 8.210 nan 0.000 0.425 64 S N -0.554 115.321 115.700 0.293 0.000 2.998 64 S HA 0.324 4.794 4.470 0.000 0.000 0.321 64 S C 0.198 174.964 174.600 0.278 0.000 1.171 64 S CA -0.083 58.270 58.200 0.255 0.000 0.882 64 S CB 1.025 64.365 63.200 0.233 0.000 1.301 64 S HN 0.188 nan 8.310 nan 0.000 0.629 65 D N -1.099 119.406 120.400 0.175 0.000 2.339 65 D HA 0.219 4.859 4.640 0.000 0.000 0.217 65 D C 0.880 177.097 176.300 -0.139 0.000 1.050 65 D CA 0.619 54.600 54.000 -0.032 0.000 0.856 65 D CB 0.015 40.741 40.800 -0.123 0.000 0.922 65 D HN 0.576 nan 8.370 nan 0.000 0.518 66 H N -1.255 117.966 119.070 0.251 0.000 3.266 66 H HA 0.343 4.899 4.556 0.000 0.000 0.246 66 H C 0.026 175.449 175.328 0.157 0.000 0.998 66 H CA 0.090 56.231 56.048 0.155 0.000 1.152 66 H CB 1.196 31.037 29.762 0.132 0.000 1.466 66 H HN 0.115 nan 8.280 nan 0.000 0.481 67 E N 0.239 120.673 120.200 0.389 0.000 2.392 67 E HA 0.418 4.768 4.350 0.000 0.000 0.269 67 E C -1.340 175.385 176.600 0.208 0.000 0.924 67 E CA -0.882 55.621 56.400 0.172 0.000 0.784 67 E CB 2.951 32.673 29.700 0.037 0.000 1.292 67 E HN 0.102 nan 8.360 nan 0.000 0.447 68 Y N -1.245 119.009 120.300 -0.078 0.000 2.829 68 Y HA 0.728 5.279 4.550 0.000 0.000 0.322 68 Y C -1.721 174.148 175.900 -0.052 0.000 1.357 68 Y CA -1.326 56.645 58.100 -0.214 0.000 1.081 68 Y CB 0.840 38.845 38.460 -0.758 0.000 1.339 68 Y HN 0.355 nan 8.280 nan 0.000 0.469 69 L N 1.226 122.613 121.223 0.274 0.000 2.341 69 L HA 0.592 4.933 4.340 0.000 0.000 0.267 69 L C -1.686 175.431 176.870 0.412 0.000 1.009 69 L CA -1.066 53.933 54.840 0.264 0.000 0.819 69 L CB 2.404 44.584 42.059 0.202 0.000 1.323 69 L HN 0.750 nan 8.230 nan 0.000 0.425 70 Y N 1.741 122.170 120.300 0.215 0.000 2.399 70 Y HA 0.262 4.812 4.550 0.000 0.000 0.327 70 Y C -0.697 175.228 175.900 0.043 0.000 1.111 70 Y CA -1.193 56.933 58.100 0.043 0.000 1.047 70 Y CB 1.529 39.912 38.460 -0.128 0.000 1.259 70 Y HN 0.428 nan 8.280 nan 0.000 0.434 71 K N 5.078 125.109 120.400 -0.616 0.000 2.315 71 K HA 0.159 4.479 4.320 0.000 0.000 0.291 71 K C -0.710 175.462 176.600 -0.714 0.000 1.074 71 K CA -0.153 55.833 56.287 -0.501 0.000 0.936 71 K CB 0.489 32.791 32.500 -0.329 0.000 1.049 71 K HN 0.786 nan 8.250 nan 0.000 0.471 72 Q N 3.876 123.480 119.800 -0.328 0.000 2.456 72 Q HA 0.010 4.351 4.340 0.000 0.000 0.234 72 Q C -0.169 175.765 176.000 -0.109 0.000 1.061 72 Q CA 0.096 55.807 55.803 -0.153 0.000 0.896 72 Q CB 0.730 29.509 28.738 0.068 0.000 1.233 72 Q HN 0.831 nan 8.270 nan 0.000 0.506 73 E N 2.664 122.792 120.200 -0.120 0.000 3.979 73 E HA -0.400 3.950 4.350 0.000 0.000 0.208 73 E C -0.207 176.335 176.600 -0.097 0.000 1.230 73 E CA 3.003 59.352 56.400 -0.085 0.000 2.178 73 E CB -1.319 28.353 29.700 -0.047 0.000 1.846 73 E HN 0.912 nan 8.360 nan 0.000 0.311 74 N N -0.168 118.479 118.700 -0.089 0.000 2.266 74 N HA 0.059 4.799 4.740 0.000 0.000 0.217 74 N C -0.397 175.048 175.510 -0.108 0.000 1.211 74 N CA 0.213 53.209 53.050 -0.091 0.000 0.881 74 N CB 0.075 38.519 38.487 -0.072 0.000 1.153 74 N HN 0.378 nan 8.380 nan 0.000 0.489 75 N N 2.119 120.757 118.700 -0.104 0.000 2.444 75 N HA 0.295 5.035 4.740 0.000 0.000 0.271 75 N C -0.775 174.670 175.510 -0.108 0.000 1.069 75 N CA -0.146 52.837 53.050 -0.113 0.000 0.965 75 N CB 1.937 40.366 38.487 -0.097 0.000 1.092 75 N HN 0.129 nan 8.380 nan 0.000 0.476 76 I N 2.433 122.932 120.570 -0.119 0.000 2.354 76 I HA 0.276 4.446 4.170 0.000 0.000 0.292 76 I C -0.400 175.689 176.117 -0.047 0.000 0.989 76 I CA -0.915 60.330 61.300 -0.091 0.000 1.188 76 I CB 1.265 39.179 38.000 -0.142 0.000 1.342 76 I HN 0.255 nan 8.210 nan 0.000 0.457 77 L N 6.540 127.749 121.223 -0.024 0.000 2.333 77 L HA 0.507 4.847 4.340 0.000 0.000 0.269 77 L C -0.128 176.635 176.870 -0.179 0.000 1.010 77 L CA -0.998 53.759 54.840 -0.137 0.000 0.818 77 L CB 1.654 43.530 42.059 -0.305 0.000 1.306 77 L HN 0.274 nan 8.230 nan 0.000 0.430 78 V N 2.790 122.514 119.914 -0.316 0.000 2.320 78 V HA 0.385 4.506 4.120 0.000 0.000 0.265 78 V C -0.554 175.289 176.094 -0.419 0.000 1.048 78 V CA -0.166 61.925 62.300 -0.348 0.000 0.865 78 V CB 0.094 31.616 31.823 -0.502 0.000 1.043 78 V HN 0.469 nan 8.190 nan 0.000 0.474 79 F N 5.221 124.910 119.950 -0.435 0.000 2.410 79 F HA 0.362 4.890 4.527 0.000 0.000 0.348 79 F C 0.875 176.328 175.800 -0.578 0.000 1.106 79 F CA 0.025 57.689 58.000 -0.559 0.000 1.163 79 F CB 0.845 39.313 39.000 -0.886 0.000 1.129 79 F HN 0.534 nan 8.300 nan 0.000 0.516 80 N N 2.066 120.679 118.700 -0.144 0.000 2.430 80 N HA 0.309 5.050 4.740 0.000 0.000 0.265 80 N C 0.698 176.159 175.510 -0.081 0.000 1.100 80 N CA -0.037 52.972 53.050 -0.068 0.000 0.961 80 N CB 1.013 39.541 38.487 0.069 0.000 1.075 80 N HN 0.786 nan 8.380 nan 0.000 0.478 81 A N 3.245 125.987 122.820 -0.130 0.000 1.969 81 A HA -0.152 4.169 4.320 0.000 0.000 0.218 81 A C 1.917 179.377 177.584 -0.205 0.000 1.169 81 A CA 1.133 53.118 52.037 -0.086 0.000 0.635 81 A CB -0.393 18.603 19.000 -0.006 0.000 0.810 81 A HN 0.886 nan 8.150 nan 0.000 0.445 82 E N -1.745 118.252 120.200 -0.338 0.000 2.106 82 E HA -0.175 4.175 4.350 0.000 0.000 0.192 82 E C 1.214 177.539 176.600 -0.459 0.000 0.984 82 E CA 1.386 57.552 56.400 -0.389 0.000 0.806 82 E CB -0.064 29.308 29.700 -0.547 0.000 0.750 82 E HN 0.790 nan 8.360 nan 0.000 0.458 83 Y N -2.144 118.168 120.300 0.019 0.000 2.483 83 Y HA 0.335 4.885 4.550 0.000 0.000 0.258 83 Y C 1.571 177.484 175.900 0.021 0.000 1.083 83 Y CA 0.294 58.406 58.100 0.020 0.000 1.283 83 Y CB 1.237 39.704 38.460 0.011 0.000 1.178 83 Y HN 0.173 nan 8.280 nan 0.000 0.515 84 G N 0.797 109.691 108.800 0.157 0.000 2.195 84 G HA2 -0.310 3.650 3.960 0.000 0.000 0.246 84 G HA3 -0.310 3.650 3.960 0.000 0.000 0.246 84 G C 0.006 175.030 174.900 0.206 0.000 0.984 84 G CA 0.121 45.321 45.100 0.167 0.000 0.633 84 G HN 0.424 nan 8.290 nan 0.000 0.525 85 N N 0.956 119.733 118.700 0.129 0.000 2.482 85 N HA 0.566 5.306 4.740 0.000 0.000 0.260 85 N C 0.006 175.455 175.510 -0.102 0.000 1.236 85 N CA 0.750 53.813 53.050 0.020 0.000 0.938 85 N CB 1.405 39.889 38.487 -0.006 0.000 1.128 85 N HN 1.066 nan 8.380 nan 0.000 0.448 86 S N -1.212 114.348 115.700 -0.232 0.000 2.596 86 S HA 0.722 5.192 4.470 0.000 0.000 0.270 86 S C -1.061 173.355 174.600 -0.306 0.000 1.155 86 S CA -0.976 56.965 58.200 -0.431 0.000 0.827 86 S CB 1.067 63.634 63.200 -1.055 0.000 1.130 86 S HN 0.956 nan 8.310 nan 0.000 0.467 87 S N -0.106 115.420 115.700 -0.289 0.000 2.549 87 S HA 0.729 5.199 4.470 0.000 0.000 0.280 87 S C -0.537 173.981 174.600 -0.137 0.000 1.109 87 S CA -0.876 57.221 58.200 -0.172 0.000 0.905 87 S CB 0.995 64.133 63.200 -0.102 0.000 1.081 87 S HN 0.961 nan 8.310 nan 0.000 0.477 88 V N 2.421 122.282 119.914 -0.088 0.000 2.740 88 V HA 0.243 4.363 4.120 0.000 0.000 0.303 88 V C 0.150 176.281 176.094 0.063 0.000 1.054 88 V CA 0.345 62.613 62.300 -0.054 0.000 1.106 88 V CB 0.018 31.791 31.823 -0.083 0.000 0.957 88 V HN 1.011 nan 8.190 nan 0.000 0.486 89 F N 3.242 123.079 119.950 -0.189 0.000 2.880 89 F HA 0.558 5.085 4.527 0.000 0.000 0.346 89 F C -0.083 175.569 175.800 -0.246 0.000 1.054 89 F CA -0.161 57.724 58.000 -0.192 0.000 1.151 89 F CB 1.066 39.964 39.000 -0.171 0.000 1.066 89 F HN 0.415 nan 8.300 nan 0.000 0.566 90 L N 1.160 122.273 121.223 -0.183 0.000 2.643 90 L HA 0.292 4.632 4.340 0.000 0.000 0.257 90 L C -1.033 175.690 176.870 -0.244 0.000 0.922 90 L CA -0.300 54.349 54.840 -0.319 0.000 0.909 90 L CB 1.303 43.160 42.059 -0.337 0.000 1.424 90 L HN 0.149 nan 8.230 nan 0.000 0.422 91 E N 1.671 121.708 120.200 -0.273 0.000 2.390 91 E HA 0.365 4.715 4.350 0.000 0.000 0.249 91 E C -0.121 176.368 176.600 -0.184 0.000 0.981 91 E CA -0.213 56.070 56.400 -0.196 0.000 0.860 91 E CB 0.694 30.291 29.700 -0.171 0.000 1.278 91 E HN 0.693 nan 8.360 nan 0.000 0.416 92 N N 0.159 118.779 118.700 -0.132 0.000 2.247 92 N HA -0.203 4.537 4.740 0.000 0.000 0.189 92 N C 0.341 175.786 175.510 -0.107 0.000 1.009 92 N CA 1.508 54.495 53.050 -0.105 0.000 0.872 92 N CB -0.185 38.256 38.487 -0.077 0.000 0.980 92 N HN 0.421 nan 8.380 nan 0.000 0.436 93 S N -3.555 112.063 115.700 -0.137 0.000 2.564 93 S HA 0.309 4.779 4.470 0.000 0.000 0.141 93 S C -0.028 174.447 174.600 -0.209 0.000 1.474 93 S CA -0.871 57.249 58.200 -0.133 0.000 1.236 93 S CB 0.310 63.465 63.200 -0.075 0.000 1.481 93 S HN 0.053 nan 8.310 nan 0.000 0.397 94 T N 0.827 115.154 114.554 -0.379 0.000 3.035 94 T HA 0.239 4.589 4.350 0.000 0.000 0.259 94 T C -0.342 173.953 174.700 -0.675 0.000 1.078 94 T CA 0.791 62.532 62.100 -0.598 0.000 1.132 94 T CB -0.297 68.034 68.868 -0.896 0.000 0.900 94 T HN 0.594 nan 8.240 nan 0.000 0.480 95 F N 2.675 122.509 119.950 -0.193 0.000 2.471 95 F HA 0.328 4.855 4.527 0.000 0.000 0.318 95 F C 0.796 176.571 175.800 -0.042 0.000 1.308 95 F CA -2.276 55.620 58.000 -0.174 0.000 1.162 95 F CB 0.206 38.930 39.000 -0.460 0.000 1.383 95 F HN 0.036 nan 8.300 nan 0.000 0.552 96 D N -0.288 120.177 120.400 0.109 0.000 2.144 96 D HA -0.119 4.521 4.640 0.000 0.000 0.207 96 D C 1.197 177.562 176.300 0.109 0.000 0.970 96 D CA 1.067 55.113 54.000 0.076 0.000 0.853 96 D CB -0.288 40.520 40.800 0.014 0.000 1.007 96 D HN 0.417 nan 8.370 nan 0.000 0.469 97 E N -0.761 119.509 120.200 0.116 0.000 2.516 97 E HA -0.003 4.348 4.350 0.000 0.000 0.199 97 E C 1.424 178.094 176.600 0.117 0.000 1.069 97 E CA -0.293 56.159 56.400 0.086 0.000 0.876 97 E CB -0.338 29.401 29.700 0.065 0.000 0.843 97 E HN 0.248 nan 8.360 nan 0.000 0.530 98 F N 0.737 120.710 119.950 0.038 0.000 2.065 98 F HA -0.285 4.242 4.527 0.000 0.000 0.298 98 F C 1.957 177.697 175.800 -0.100 0.000 1.112 98 F CA 2.073 60.089 58.000 0.027 0.000 1.212 98 F CB -0.059 38.967 39.000 0.043 0.000 0.975 98 F HN 0.210 nan 8.300 nan 0.000 0.476 99 G N -1.748 107.048 108.800 -0.006 0.000 2.420 99 G HA2 -0.268 3.693 3.960 0.000 0.000 0.221 99 G HA3 -0.268 3.693 3.960 0.000 0.000 0.221 99 G C 0.231 174.993 174.900 -0.229 0.000 1.117 99 G CA 0.162 45.126 45.100 -0.227 0.000 0.657 99 G HN 0.517 nan 8.290 nan 0.000 0.512 100 H N 1.994 121.053 119.070 -0.019 0.000 2.683 100 H HA 0.486 5.042 4.556 0.000 0.000 0.339 100 H C 0.727 176.156 175.328 0.169 0.000 1.081 100 H CA 0.505 56.575 56.048 0.037 0.000 1.432 100 H CB 1.148 30.768 29.762 -0.238 0.000 1.462 100 H HN 0.544 nan 8.280 nan 0.000 0.557 101 S N 3.478 119.312 115.700 0.225 0.000 2.499 101 S HA 0.193 4.664 4.470 0.000 0.000 0.275 101 S C 0.439 175.137 174.600 0.163 0.000 1.257 101 S CA -0.997 57.295 58.200 0.153 0.000 1.050 101 S CB 0.396 63.654 63.200 0.098 0.000 0.937 101 S HN 0.365 nan 8.310 nan 0.000 0.490 102 I N 3.488 124.116 120.570 0.096 0.000 2.421 102 I HA 0.130 4.300 4.170 0.000 0.000 0.291 102 I C 1.397 177.556 176.117 0.070 0.000 1.089 102 I CA -0.127 61.219 61.300 0.076 0.000 1.354 102 I CB -0.590 37.407 38.000 -0.004 0.000 1.413 102 I HN 0.800 nan 8.210 nan 0.000 0.513 103 N N 4.214 122.958 118.700 0.074 0.000 2.188 103 N HA -0.115 4.626 4.740 0.000 0.000 0.184 103 N C 0.070 175.565 175.510 -0.024 0.000 1.018 103 N CA 1.400 54.435 53.050 -0.025 0.000 0.858 103 N CB 0.353 38.786 38.487 -0.090 0.000 0.989 103 N HN 0.704 nan 8.380 nan 0.000 0.426 104 D N -2.733 117.702 120.400 0.057 0.000 2.683 104 D HA 0.135 4.776 4.640 0.000 0.000 0.246 104 D C -1.652 174.769 176.300 0.201 0.000 1.238 104 D CA -0.545 53.511 54.000 0.092 0.000 0.759 104 D CB 0.673 41.492 40.800 0.033 0.000 1.349 104 D HN 0.078 nan 8.370 nan 0.000 0.426 105 Y N -0.720 119.642 120.300 0.102 0.000 2.562 105 Y HA 0.797 5.347 4.550 0.000 0.000 0.343 105 Y C -0.970 175.049 175.900 0.198 0.000 1.025 105 Y CA -0.980 57.205 58.100 0.141 0.000 1.082 105 Y CB 1.959 40.488 38.460 0.115 0.000 1.264 105 Y HN 0.123 nan 8.280 nan 0.000 0.478 106 S N 3.470 119.364 115.700 0.323 0.000 2.737 106 S HA 0.520 4.990 4.470 0.000 0.000 0.269 106 S C -1.329 173.592 174.600 0.535 0.000 1.150 106 S CA -0.718 57.684 58.200 0.336 0.000 1.077 106 S CB 0.038 63.456 63.200 0.364 0.000 1.075 106 S HN 0.610 nan 8.310 nan 0.000 0.476 107 I N 4.501 125.273 120.570 0.337 0.000 2.529 107 I HA 0.184 4.354 4.170 0.000 0.000 0.284 107 I C 1.186 177.097 176.117 -0.342 0.000 1.082 107 I CA -0.158 61.218 61.300 0.127 0.000 1.406 107 I CB 0.841 38.941 38.000 0.167 0.000 1.405 107 I HN 0.763 nan 8.210 nan 0.000 0.548 108 S N 6.645 121.790 115.700 -0.925 0.000 2.549 108 S HA 0.163 4.633 4.470 0.000 0.000 0.283 108 S C -1.787 172.510 174.600 -0.504 0.000 1.320 108 S CA -0.930 56.397 58.200 -1.455 0.000 1.058 108 S CB 0.756 63.060 63.200 -1.495 0.000 0.882 108 S HN 0.433 nan 8.310 nan 0.000 0.498 109 P HA -0.132 nan 4.420 nan 0.000 0.221 109 P C 0.928 178.196 177.300 -0.052 0.000 1.145 109 P CA 1.288 64.332 63.100 -0.092 0.000 0.795 109 P CB -0.067 31.612 31.700 -0.036 0.000 0.775 110 D N -1.632 118.728 120.400 -0.067 0.000 2.323 110 D HA 0.019 4.659 4.640 0.000 0.000 0.209 110 D C 1.432 177.717 176.300 -0.024 0.000 0.973 110 D CA 0.997 54.993 54.000 -0.007 0.000 0.874 110 D CB -0.987 39.852 40.800 0.064 0.000 0.930 110 D HN 0.191 nan 8.370 nan 0.000 0.521 111 G N 0.516 109.273 108.800 -0.072 0.000 2.136 111 G HA2 -0.331 3.629 3.960 0.000 0.000 0.242 111 G HA3 -0.331 3.629 3.960 0.000 0.000 0.242 111 G C 0.824 175.671 174.900 -0.089 0.000 0.989 111 G CA 0.456 45.527 45.100 -0.048 0.000 0.682 111 G HN 0.450 nan 8.290 nan 0.000 0.522 112 Q N -1.670 118.012 119.800 -0.197 0.000 2.373 112 Q HA 0.392 4.732 4.340 0.000 0.000 0.210 112 Q C 0.100 175.635 176.000 -0.775 0.000 0.913 112 Q CA 0.614 56.128 55.803 -0.481 0.000 0.911 112 Q CB 0.482 28.858 28.738 -0.604 0.000 1.040 112 Q HN 0.534 nan 8.270 nan 0.000 0.521 113 F N -0.292 119.554 119.950 -0.172 0.000 2.576 113 F HA 0.484 5.011 4.527 0.000 0.000 0.313 113 F C -0.577 175.224 175.800 0.002 0.000 1.078 113 F CA -1.042 56.917 58.000 -0.068 0.000 0.921 113 F CB 1.745 40.728 39.000 -0.027 0.000 1.232 113 F HN -0.192 nan 8.300 nan 0.000 0.459 114 I N 3.598 124.409 120.570 0.402 0.000 2.436 114 I HA 0.468 4.638 4.170 0.000 0.000 0.289 114 I C -1.623 174.806 176.117 0.519 0.000 1.010 114 I CA -1.077 60.477 61.300 0.423 0.000 1.098 114 I CB 1.416 39.591 38.000 0.293 0.000 1.266 114 I HN 0.549 nan 8.210 nan 0.000 0.434 115 L N 8.486 130.078 121.223 0.615 0.000 2.265 115 L HA 0.468 4.808 4.340 0.000 0.000 0.288 115 L C -1.235 175.841 176.870 0.344 0.000 1.058 115 L CA 0.031 55.131 54.840 0.433 0.000 0.809 115 L CB 0.854 43.090 42.059 0.295 0.000 1.179 115 L HN 0.494 nan 8.230 nan 0.000 0.429 116 L N 5.158 126.550 121.223 0.281 0.000 2.282 116 L HA 0.485 4.825 4.340 0.000 0.000 0.288 116 L C -0.066 176.978 176.870 0.290 0.000 1.033 116 L CA -0.411 54.545 54.840 0.193 0.000 0.807 116 L CB 1.520 43.546 42.059 -0.056 0.000 1.209 116 L HN 0.646 nan 8.230 nan 0.000 0.423 117 E N 3.933 124.257 120.200 0.207 0.000 2.151 117 E HA 0.476 4.826 4.350 0.000 0.000 0.275 117 E C -1.600 175.060 176.600 0.100 0.000 0.936 117 E CA -0.459 55.930 56.400 -0.018 0.000 0.777 117 E CB 1.250 30.994 29.700 0.073 0.000 1.108 117 E HN 0.449 nan 8.360 nan 0.000 0.401 118 Y N 1.615 121.795 120.300 -0.200 0.000 2.853 118 Y HA 0.394 4.944 4.550 0.000 0.000 0.326 118 Y C -0.294 175.562 175.900 -0.074 0.000 1.384 118 Y CA -1.441 56.624 58.100 -0.058 0.000 1.077 118 Y CB 0.203 38.689 38.460 0.044 0.000 1.395 118 Y HN 0.495 nan 8.280 nan 0.000 0.451 119 N N -0.432 118.285 118.700 0.028 0.000 2.710 119 N HA -0.311 4.429 4.740 0.000 0.000 0.249 119 N C -0.915 174.574 175.510 -0.035 0.000 1.059 119 N CA 1.141 54.160 53.050 -0.051 0.000 0.720 119 N CB -1.671 36.673 38.487 -0.238 0.000 0.983 119 N HN 0.833 nan 8.380 nan 0.000 0.544 120 Y N -0.024 120.223 120.300 -0.089 0.000 2.620 120 Y HA 0.281 4.831 4.550 0.000 0.000 0.330 120 Y C 0.055 175.936 175.900 -0.032 0.000 1.186 120 Y CA -0.084 57.971 58.100 -0.075 0.000 1.467 120 Y CB 0.727 39.105 38.460 -0.137 0.000 1.262 120 Y HN -0.025 nan 8.280 nan 0.000 0.550 121 V N 7.851 127.412 119.914 -0.588 0.000 2.488 121 V HA 0.188 4.308 4.120 0.000 0.000 0.293 121 V C -0.356 175.337 176.094 -0.667 0.000 1.027 121 V CA -1.449 60.552 62.300 -0.499 0.000 0.862 121 V CB 1.282 32.968 31.823 -0.228 0.000 1.008 121 V HN 0.759 nan 8.190 nan 0.000 0.428 122 K N 3.582 123.578 120.400 -0.673 0.000 2.448 122 K HA 0.155 4.475 4.320 0.000 0.000 0.278 122 K C 0.488 176.915 176.600 -0.289 0.000 1.009 122 K CA 0.307 56.372 56.287 -0.369 0.000 0.995 122 K CB 1.098 33.559 32.500 -0.065 0.000 0.917 122 K HN 0.827 nan 8.250 nan 0.000 0.481 123 Q N 3.282 122.887 119.800 -0.325 0.000 2.496 123 Q HA 0.143 4.483 4.340 0.000 0.000 0.299 123 Q C -0.021 175.675 176.000 -0.506 0.000 1.044 123 Q CA -0.176 55.238 55.803 -0.649 0.000 0.700 123 Q CB 0.036 28.248 28.738 -0.875 0.000 3.313 123 Q HN 0.706 nan 8.270 nan 0.000 0.449 124 W N 0.001 121.286 121.300 -0.025 0.000 1.945 124 W HA 0.377 5.037 4.660 0.000 0.000 0.606 124 W C 1.802 178.290 176.519 -0.053 0.000 1.803 124 W CA -0.743 56.606 57.345 0.006 0.000 1.990 124 W CB -0.153 29.274 29.460 -0.055 0.000 2.848 124 W HN 0.261 nan 8.180 nan 0.000 0.771 125 R N -0.611 119.959 120.500 0.117 0.000 2.096 125 R HA -0.152 4.188 4.340 0.000 0.000 0.235 125 R C 1.756 177.881 176.300 -0.291 0.000 1.127 125 R CA 1.789 57.785 56.100 -0.174 0.000 0.968 125 R CB -0.374 29.672 30.300 -0.423 0.000 0.861 125 R HN 0.510 nan 8.270 nan 0.000 0.440 126 H N -1.149 117.995 119.070 0.123 0.000 2.594 126 H HA 0.144 4.700 4.556 0.000 0.000 0.274 126 H C 0.664 176.086 175.328 0.156 0.000 0.982 126 H CA 0.521 56.666 56.048 0.161 0.000 1.228 126 H CB -0.061 29.768 29.762 0.112 0.000 1.447 126 H HN 0.128 nan 8.280 nan 0.000 0.485 127 S N 1.638 117.330 115.700 -0.013 0.000 2.560 127 S HA 0.288 4.758 4.470 0.000 0.000 0.284 127 S C -0.194 174.260 174.600 -0.243 0.000 1.327 127 S CA -0.380 57.476 58.200 -0.573 0.000 1.055 127 S CB 0.257 62.680 63.200 -1.295 0.000 0.868 127 S HN 0.467 nan 8.310 nan 0.000 0.506 128 Y N -1.985 118.153 120.300 -0.270 0.000 2.788 128 Y HA 0.764 5.315 4.550 0.000 0.000 0.335 128 Y C -0.721 175.146 175.900 -0.054 0.000 1.287 128 Y CA -1.223 56.740 58.100 -0.228 0.000 1.068 128 Y CB 0.881 39.200 38.460 -0.235 0.000 1.340 128 Y HN 0.593 nan 8.280 nan 0.000 0.449 129 T N 1.008 115.617 114.554 0.092 0.000 2.893 129 T HA 0.904 5.254 4.350 0.000 0.000 0.291 129 T C -1.195 173.583 174.700 0.130 0.000 1.028 129 T CA 0.036 62.193 62.100 0.096 0.000 0.995 129 T CB 1.322 70.188 68.868 -0.003 0.000 1.051 129 T HN 1.226 nan 8.240 nan 0.000 0.470 130 A N 1.713 124.586 122.820 0.089 0.000 2.610 130 A HA 0.776 5.096 4.320 0.000 0.000 0.291 130 A C -0.847 176.501 177.584 -0.394 0.000 1.086 130 A CA -0.725 51.210 52.037 -0.169 0.000 0.677 130 A CB 1.408 20.270 19.000 -0.231 0.000 1.278 130 A HN 0.658 nan 8.150 nan 0.000 0.414 131 S N -0.272 114.992 115.700 -0.728 0.000 2.578 131 S HA 0.739 5.209 4.470 0.000 0.000 0.283 131 S C -1.402 172.558 174.600 -1.067 0.000 1.195 131 S CA 0.007 57.678 58.200 -0.881 0.000 1.050 131 S CB 0.450 62.884 63.200 -1.277 0.000 1.012 131 S HN 0.432 nan 8.310 nan 0.000 0.511 132 Y N 0.345 120.455 120.300 -0.317 0.000 2.442 132 Y HA 0.459 5.009 4.550 0.000 0.000 0.344 132 Y C -0.219 175.723 175.900 0.070 0.000 0.976 132 Y CA -0.930 57.128 58.100 -0.070 0.000 1.040 132 Y CB 1.704 40.060 38.460 -0.172 0.000 1.228 132 Y HN 0.489 nan 8.280 nan 0.000 0.451 133 D N 3.079 123.702 120.400 0.372 0.000 2.646 133 D HA 0.523 5.163 4.640 0.000 0.000 0.245 133 D C -0.822 175.640 176.300 0.270 0.000 1.099 133 D CA -0.312 53.862 54.000 0.291 0.000 0.849 133 D CB 2.571 43.634 40.800 0.437 0.000 1.448 133 D HN 0.411 nan 8.370 nan 0.000 0.489 134 I N 1.558 122.232 120.570 0.173 0.000 2.437 134 I HA 0.333 4.503 4.170 0.000 0.000 0.298 134 I C -0.806 175.449 176.117 0.229 0.000 0.984 134 I CA -0.741 60.704 61.300 0.243 0.000 1.214 134 I CB 1.002 39.095 38.000 0.155 0.000 1.365 134 I HN 0.157 nan 8.210 nan 0.000 0.469 135 Y N 2.140 122.549 120.300 0.182 0.000 2.391 135 Y HA 0.252 4.803 4.550 0.000 0.000 0.341 135 Y C -0.221 175.831 175.900 0.254 0.000 0.965 135 Y CA -1.113 57.079 58.100 0.153 0.000 1.067 135 Y CB 1.544 40.029 38.460 0.041 0.000 1.199 135 Y HN 0.496 nan 8.280 nan 0.000 0.450 136 D N 3.134 123.717 120.400 0.305 0.000 2.363 136 D HA 0.058 4.698 4.640 0.000 0.000 0.263 136 D C 0.877 177.158 176.300 -0.031 0.000 1.258 136 D CA 0.561 54.575 54.000 0.024 0.000 0.907 136 D CB 0.755 41.550 40.800 -0.008 0.000 1.107 136 D HN 0.662 nan 8.370 nan 0.000 0.495 137 L N 3.482 124.622 121.223 -0.138 0.000 2.191 137 L HA -0.182 4.158 4.340 0.000 0.000 0.212 137 L C 1.552 178.342 176.870 -0.134 0.000 1.103 137 L CA 1.064 55.845 54.840 -0.098 0.000 0.769 137 L CB -0.274 41.743 42.059 -0.070 0.000 0.908 137 L HN 0.551 nan 8.230 nan 0.000 0.438 138 N N -0.554 118.052 118.700 -0.156 0.000 2.453 138 N HA -0.145 4.595 4.740 0.000 0.000 0.183 138 N C 1.201 176.661 175.510 -0.083 0.000 1.041 138 N CA 0.705 53.684 53.050 -0.118 0.000 0.900 138 N CB 0.164 38.571 38.487 -0.133 0.000 0.961 138 N HN 0.335 nan 8.380 nan 0.000 0.443 139 K N 0.318 120.684 120.400 -0.055 0.000 2.491 139 K HA 0.180 4.500 4.320 0.000 0.000 0.211 139 K C -0.258 176.364 176.600 0.037 0.000 1.210 139 K CA -0.166 56.113 56.287 -0.014 0.000 1.003 139 K CB 0.778 33.276 32.500 -0.003 0.000 1.009 139 K HN 0.095 nan 8.250 nan 0.000 0.577 140 R N 1.692 122.238 120.500 0.078 0.000 3.460 140 R HA -0.270 4.070 4.340 0.000 0.000 0.254 140 R C -0.745 175.805 176.300 0.415 0.000 1.028 140 R CA 0.921 57.165 56.100 0.241 0.000 0.688 140 R CB -2.729 27.603 30.300 0.052 0.000 1.062 140 R HN 0.425 nan 8.270 nan 0.000 0.463 141 Q N 0.165 120.132 119.800 0.279 0.000 2.266 141 Q HA 0.576 4.916 4.340 0.000 0.000 0.261 141 Q C -0.342 175.507 176.000 -0.253 0.000 0.985 141 Q CA -1.414 54.467 55.803 0.131 0.000 0.873 141 Q CB 1.527 30.290 28.738 0.042 0.000 1.306 141 Q HN 0.223 nan 8.270 nan 0.000 0.447 142 L N 2.771 123.643 121.223 -0.585 0.000 2.410 142 L HA 0.248 4.588 4.340 0.000 0.000 0.273 142 L C -0.651 175.965 176.870 -0.422 0.000 1.152 142 L CA 0.166 54.399 54.840 -1.011 0.000 0.855 142 L CB 0.346 42.026 42.059 -0.631 0.000 1.129 142 L HN 0.721 nan 8.230 nan 0.000 0.463 143 I N 5.815 126.181 120.570 -0.339 0.000 2.453 143 I HA -0.019 4.152 4.170 0.000 0.000 0.300 143 I C 1.253 177.290 176.117 -0.133 0.000 1.159 143 I CA 0.278 61.494 61.300 -0.140 0.000 1.379 143 I CB -0.172 37.795 38.000 -0.056 0.000 1.460 143 I HN 0.865 nan 8.210 nan 0.000 0.601 144 T N 1.329 115.814 114.554 -0.115 0.000 2.995 144 T HA -0.039 4.311 4.350 0.000 0.000 0.269 144 T C 0.729 175.378 174.700 -0.085 0.000 1.091 144 T CA 0.294 62.334 62.100 -0.099 0.000 1.128 144 T CB -0.132 68.688 68.868 -0.080 0.000 0.891 144 T HN 0.609 nan 8.240 nan 0.000 0.492 145 E N 1.063 121.216 120.200 -0.078 0.000 2.222 145 E HA 0.240 4.590 4.350 0.000 0.000 0.267 145 E C -0.514 176.030 176.600 -0.093 0.000 0.963 145 E CA -0.791 55.563 56.400 -0.077 0.000 0.837 145 E CB 0.843 30.507 29.700 -0.060 0.000 1.183 145 E HN 0.081 nan 8.360 nan 0.000 0.403 146 E N 0.606 120.744 120.200 -0.102 0.000 2.199 146 E HA -0.228 4.123 4.350 0.000 0.000 0.208 146 E C -0.611 175.895 176.600 -0.157 0.000 1.310 146 E CA 0.706 57.031 56.400 -0.126 0.000 0.709 146 E CB -1.268 28.366 29.700 -0.110 0.000 1.127 146 E HN 0.468 nan 8.360 nan 0.000 0.354 147 R N -0.135 120.263 120.500 -0.170 0.000 2.643 147 R HA 0.285 4.625 4.340 0.000 0.000 0.270 147 R C 1.141 177.258 176.300 -0.304 0.000 1.061 147 R CA -0.388 55.594 56.100 -0.195 0.000 1.107 147 R CB 0.505 30.711 30.300 -0.156 0.000 0.999 147 R HN 0.156 nan 8.270 nan 0.000 0.460 148 I N 5.175 125.523 120.570 -0.369 0.000 2.775 148 I HA -0.019 4.151 4.170 0.000 0.000 0.290 148 I C -1.409 174.389 176.117 -0.530 0.000 1.203 148 I CA -1.152 59.770 61.300 -0.630 0.000 1.433 148 I CB 0.246 37.855 38.000 -0.653 0.000 1.354 148 I HN 0.391 nan 8.210 nan 0.000 0.579 149 P HA 0.091 nan 4.420 nan 0.000 0.274 149 P C -0.889 176.188 177.300 -0.373 0.000 1.256 149 P CA -0.446 62.269 63.100 -0.642 0.000 0.795 149 P CB 0.490 31.430 31.700 -1.266 0.000 1.038 150 N N 0.577 119.133 118.700 -0.239 0.000 2.354 150 N HA 0.005 4.745 4.740 0.000 0.000 0.246 150 N C 0.331 175.898 175.510 0.094 0.000 1.285 150 N CA 0.076 53.065 53.050 -0.103 0.000 0.925 150 N CB -0.553 37.889 38.487 -0.075 0.000 1.174 150 N HN 0.429 nan 8.380 nan 0.000 0.478 151 N N -1.932 116.819 118.700 0.085 0.000 2.725 151 N HA -0.169 4.571 4.740 0.000 0.000 0.249 151 N C -0.969 174.728 175.510 0.312 0.000 1.103 151 N CA 0.535 53.684 53.050 0.166 0.000 0.707 151 N CB -1.452 37.135 38.487 0.167 0.000 1.043 151 N HN 0.432 nan 8.380 nan 0.000 0.553 152 T N 0.296 115.026 114.554 0.293 0.000 2.851 152 T HA 0.095 4.445 4.350 0.000 0.000 0.298 152 T C 1.387 176.273 174.700 0.310 0.000 0.977 152 T CA -0.039 62.271 62.100 0.351 0.000 1.126 152 T CB 1.337 70.348 68.868 0.238 0.000 0.916 152 T HN 0.196 nan 8.240 nan 0.000 0.529 153 Q N 1.811 121.783 119.800 0.287 0.000 2.297 153 Q HA 0.174 4.514 4.340 0.000 0.000 0.203 153 Q C 0.117 176.313 176.000 0.325 0.000 0.931 153 Q CA 0.433 56.419 55.803 0.306 0.000 0.885 153 Q CB 0.787 29.656 28.738 0.219 0.000 0.991 153 Q HN 0.694 nan 8.270 nan 0.000 0.498 154 W N -0.316 120.964 121.300 -0.034 0.000 3.296 154 W HA 0.543 5.203 4.660 0.000 0.000 0.314 154 W C -2.204 174.237 176.519 -0.129 0.000 1.238 154 W CA -0.732 56.545 57.345 -0.113 0.000 1.193 154 W CB 1.496 30.827 29.460 -0.215 0.000 1.383 154 W HN -0.302 nan 8.180 nan 0.000 0.545 155 V N 4.222 123.462 119.914 -1.123 0.000 2.808 155 V HA 0.717 4.837 4.120 0.000 0.000 0.308 155 V C -1.258 174.197 176.094 -1.065 0.000 1.099 155 V CA -0.091 61.648 62.300 -0.934 0.000 0.920 155 V CB 2.333 33.476 31.823 -1.134 0.000 1.014 155 V HN 0.559 nan 8.190 nan 0.000 0.425 156 T N 5.660 119.901 114.554 -0.521 0.000 2.956 156 T HA 0.541 4.891 4.350 0.000 0.000 0.312 156 T C -1.411 173.260 174.700 -0.049 0.000 1.151 156 T CA -0.304 61.681 62.100 -0.192 0.000 1.024 156 T CB 0.898 69.923 68.868 0.262 0.000 1.140 156 T HN 0.642 nan 8.240 nan 0.000 0.473 157 W N 3.216 124.538 121.300 0.037 0.000 2.237 157 W HA 0.472 5.132 4.660 0.000 0.000 0.335 157 W C 1.201 177.487 176.519 -0.388 0.000 1.230 157 W CA -0.689 56.601 57.345 -0.092 0.000 1.253 157 W CB 0.685 30.113 29.460 -0.052 0.000 1.129 157 W HN 0.781 nan 8.180 nan 0.000 0.590 158 S N 1.704 116.996 115.700 -0.679 0.000 2.584 158 S HA 0.107 4.577 4.470 0.000 0.000 0.270 158 S C -1.788 172.557 174.600 -0.425 0.000 1.346 158 S CA -0.907 56.472 58.200 -1.367 0.000 1.018 158 S CB 0.942 63.213 63.200 -1.549 0.000 0.899 158 S HN 0.298 nan 8.310 nan 0.000 0.542 159 P HA 0.044 nan 4.420 nan 0.000 0.222 159 P C 0.111 177.386 177.300 -0.041 0.000 1.147 159 P CA 0.753 63.830 63.100 -0.037 0.000 0.790 159 P CB -0.212 31.508 31.700 0.033 0.000 0.780 160 V N -6.558 113.295 119.914 -0.103 0.000 3.007 160 V HA 0.892 5.013 4.120 0.000 0.000 0.311 160 V C 0.274 176.293 176.094 -0.125 0.000 1.120 160 V CA -0.436 61.819 62.300 -0.075 0.000 0.980 160 V CB 1.103 32.905 31.823 -0.035 0.000 1.033 160 V HN 0.381 nan 8.190 nan 0.000 0.429 161 G N 2.042 110.791 108.800 -0.086 0.000 2.542 161 G HA2 -0.095 3.865 3.960 0.000 0.000 0.235 161 G HA3 -0.095 3.865 3.960 0.000 0.000 0.235 161 G C -0.016 174.844 174.900 -0.067 0.000 1.286 161 G CA 0.436 45.465 45.100 -0.117 0.000 0.904 161 G HN 2.518 nan 8.290 nan 0.000 0.577 162 H N -0.490 118.590 119.070 0.017 0.000 2.790 162 H HA 0.451 5.007 4.556 0.000 0.000 0.232 162 H C 0.020 175.527 175.328 0.300 0.000 1.313 162 H CA -0.308 55.808 56.048 0.113 0.000 1.011 162 H CB -0.188 29.675 29.762 0.167 0.000 2.105 162 H HN 0.483 nan 8.280 nan 0.000 0.580 163 K N 1.604 122.053 120.400 0.082 0.000 2.249 163 K HA 0.270 4.590 4.320 0.000 0.000 0.280 163 K C -0.424 176.265 176.600 0.148 0.000 1.033 163 K CA -0.744 55.570 56.287 0.046 0.000 0.946 163 K CB 1.569 33.942 32.500 -0.212 0.000 1.005 163 K HN 0.059 nan 8.250 nan 0.000 0.469 164 L N 2.260 123.570 121.223 0.146 0.000 2.309 164 L HA 0.482 4.822 4.340 0.000 0.000 0.282 164 L C -0.251 176.789 176.870 0.283 0.000 1.036 164 L CA -0.311 54.546 54.840 0.028 0.000 0.806 164 L CB 1.278 43.255 42.059 -0.136 0.000 1.220 164 L HN 0.765 nan 8.230 nan 0.000 0.429 165 A N 4.769 127.771 122.820 0.304 0.000 2.319 165 A HA 0.706 5.026 4.320 0.000 0.000 0.310 165 A C -1.380 176.242 177.584 0.062 0.000 1.152 165 A CA -0.434 51.702 52.037 0.165 0.000 0.783 165 A CB 0.881 19.943 19.000 0.105 0.000 1.184 165 A HN 0.624 nan 8.150 nan 0.000 0.474 166 Y N 0.094 120.357 120.300 -0.062 0.000 2.512 166 Y HA 0.755 5.305 4.550 0.000 0.000 0.348 166 Y C -1.017 174.907 175.900 0.039 0.000 0.990 166 Y CA -1.602 56.443 58.100 -0.093 0.000 1.033 166 Y CB 1.332 39.668 38.460 -0.206 0.000 1.259 166 Y HN 0.300 nan 8.280 nan 0.000 0.461 167 V N 3.218 123.251 119.914 0.197 0.000 2.370 167 V HA 0.269 4.389 4.120 0.000 0.000 0.283 167 V C -1.210 175.091 176.094 0.345 0.000 1.023 167 V CA -0.527 61.867 62.300 0.156 0.000 0.857 167 V CB 0.748 32.577 31.823 0.010 0.000 0.985 167 V HN 0.884 nan 8.190 nan 0.000 0.443 168 W N 5.273 126.686 121.300 0.189 0.000 2.957 168 W HA 0.457 5.117 4.660 0.000 0.000 0.336 168 W C 0.333 176.921 176.519 0.116 0.000 1.087 168 W CA -0.788 56.646 57.345 0.148 0.000 1.235 168 W CB 1.159 30.690 29.460 0.118 0.000 1.399 168 W HN 0.765 nan 8.180 nan 0.000 0.480 169 N N 5.656 123.911 118.700 -0.741 0.000 2.716 169 N HA -0.364 4.377 4.740 0.000 0.000 0.250 169 N C 0.174 175.476 175.510 -0.347 0.000 1.033 169 N CA 1.096 53.718 53.050 -0.712 0.000 0.727 169 N CB -1.013 36.764 38.487 -1.183 0.000 0.950 169 N HN 0.850 nan 8.380 nan 0.000 0.541 170 N N -1.775 116.801 118.700 -0.207 0.000 2.878 170 N HA -0.164 4.576 4.740 0.000 0.000 0.247 170 N C -1.334 174.082 175.510 -0.156 0.000 1.021 170 N CA 1.123 54.077 53.050 -0.160 0.000 0.873 170 N CB -0.301 38.052 38.487 -0.222 0.000 1.128 170 N HN 0.425 nan 8.380 nan 0.000 0.571 171 D N 0.472 120.780 120.400 -0.154 0.000 2.457 171 D HA 0.483 5.123 4.640 0.000 0.000 0.240 171 D C 0.037 176.152 176.300 -0.308 0.000 1.041 171 D CA -0.379 53.454 54.000 -0.278 0.000 0.861 171 D CB 1.626 42.203 40.800 -0.373 0.000 1.394 171 D HN 0.034 nan 8.370 nan 0.000 0.473 172 I N 2.041 122.287 120.570 -0.540 0.000 2.395 172 I HA 0.204 4.374 4.170 0.000 0.000 0.289 172 I C -0.466 175.192 176.117 -0.766 0.000 1.023 172 I CA -0.253 60.714 61.300 -0.556 0.000 1.350 172 I CB 0.413 38.002 38.000 -0.685 0.000 1.409 172 I HN 0.169 nan 8.210 nan 0.000 0.507 173 Y N 4.219 124.144 120.300 -0.625 0.000 2.570 173 Y HA 0.706 5.256 4.550 0.000 0.000 0.345 173 Y C -0.335 175.232 175.900 -0.555 0.000 1.014 173 Y CA -1.034 56.653 58.100 -0.689 0.000 1.063 173 Y CB 2.063 39.843 38.460 -1.135 0.000 1.272 173 Y HN 0.102 nan 8.280 nan 0.000 0.477 174 V N 2.055 121.908 119.914 -0.101 0.000 2.623 174 V HA 0.381 4.501 4.120 0.000 0.000 0.304 174 V C -0.992 175.226 176.094 0.206 0.000 1.054 174 V CA -1.424 60.919 62.300 0.072 0.000 0.882 174 V CB 1.922 33.812 31.823 0.112 0.000 1.002 174 V HN 0.622 nan 8.190 nan 0.000 0.424 175 K N 4.710 125.236 120.400 0.210 0.000 2.389 175 K HA 0.472 4.792 4.320 0.000 0.000 0.261 175 K C 0.487 177.206 176.600 0.198 0.000 1.014 175 K CA -0.663 55.736 56.287 0.185 0.000 0.920 175 K CB 1.433 34.002 32.500 0.116 0.000 1.149 175 K HN 0.457 nan 8.250 nan 0.000 0.444 176 I N 1.299 122.018 120.570 0.249 0.000 2.493 176 I HA -0.097 4.073 4.170 0.000 0.000 0.254 176 I C 0.287 176.485 176.117 0.135 0.000 1.160 176 I CA 1.432 62.839 61.300 0.179 0.000 1.445 176 I CB -0.349 37.771 38.000 0.199 0.000 1.086 176 I HN 0.544 nan 8.210 nan 0.000 0.433 177 E N -0.165 120.113 120.200 0.131 0.000 2.263 177 E HA 0.271 4.621 4.350 0.000 0.000 0.268 177 E C -2.019 174.567 176.600 -0.023 0.000 0.884 177 E CA -1.859 54.595 56.400 0.090 0.000 0.766 177 E CB 1.947 31.706 29.700 0.099 0.000 1.196 177 E HN -0.141 nan 8.360 nan 0.000 0.416 178 P HA -0.144 nan 4.420 nan 0.000 0.229 178 P C 0.535 177.746 177.300 -0.148 0.000 1.150 178 P CA 1.243 64.213 63.100 -0.217 0.000 0.765 178 P CB 0.166 31.571 31.700 -0.492 0.000 0.783 179 N N -2.387 116.250 118.700 -0.105 0.000 2.250 179 N HA 0.064 4.804 4.740 0.000 0.000 0.190 179 N C 0.282 175.760 175.510 -0.054 0.000 1.116 179 N CA -0.058 52.953 53.050 -0.065 0.000 0.881 179 N CB -0.225 38.245 38.487 -0.029 0.000 1.006 179 N HN 0.025 nan 8.380 nan 0.000 0.491 180 L N 0.788 121.984 121.223 -0.046 0.000 2.379 180 L HA 0.503 4.843 4.340 0.000 0.000 0.269 180 L C -2.173 174.632 176.870 -0.110 0.000 1.084 180 L CA -2.338 52.468 54.840 -0.055 0.000 0.802 180 L CB 1.064 43.115 42.059 -0.012 0.000 1.175 180 L HN -0.138 nan 8.230 nan 0.000 0.448 181 P HA -0.018 nan 4.420 nan 0.000 0.265 181 P C -0.866 176.244 177.300 -0.317 0.000 1.187 181 P CA 0.108 63.083 63.100 -0.208 0.000 0.766 181 P CB 0.441 32.013 31.700 -0.213 0.000 0.820 182 S N 1.760 117.344 115.700 -0.194 0.000 2.565 182 S HA 0.210 4.680 4.470 0.000 0.000 0.276 182 S C -0.416 174.056 174.600 -0.213 0.000 1.326 182 S CA -0.147 57.982 58.200 -0.118 0.000 1.045 182 S CB -0.166 63.069 63.200 0.059 0.000 0.918 182 S HN 0.241 nan 8.310 nan 0.000 0.505 183 Y N 1.358 121.684 120.300 0.043 0.000 2.383 183 Y HA 0.321 4.871 4.550 0.000 0.000 0.344 183 Y C 0.922 176.770 175.900 -0.087 0.000 0.986 183 Y CA -0.585 57.523 58.100 0.012 0.000 1.175 183 Y CB 0.469 38.934 38.460 0.007 0.000 1.152 183 Y HN 0.486 nan 8.280 nan 0.000 0.511 184 R N 3.956 124.427 120.500 -0.048 0.000 2.347 184 R HA 0.138 4.479 4.340 0.000 0.000 0.304 184 R C 0.280 176.328 176.300 -0.419 0.000 1.072 184 R CA -0.078 55.690 56.100 -0.553 0.000 0.980 184 R CB 0.397 30.160 30.300 -0.896 0.000 0.986 184 R HN 0.766 nan 8.270 nan 0.000 0.448 185 I N 2.265 122.506 120.570 -0.549 0.000 2.385 185 I HA -0.065 4.105 4.170 0.000 0.000 0.244 185 I C 1.306 177.216 176.117 -0.346 0.000 1.089 185 I CA 1.176 62.263 61.300 -0.355 0.000 1.410 185 I CB -0.993 36.756 38.000 -0.418 0.000 1.117 185 I HN 0.596 nan 8.210 nan 0.000 0.429 186 T N -3.438 110.768 114.554 -0.580 0.000 2.940 186 T HA 0.380 4.731 4.350 0.000 0.000 0.288 186 T C -0.448 173.921 174.700 -0.552 0.000 1.033 186 T CA -0.479 61.378 62.100 -0.405 0.000 1.033 186 T CB 1.963 70.583 68.868 -0.413 0.000 1.079 186 T HN 0.247 nan 8.240 nan 0.000 0.496 187 W N -0.214 120.966 121.300 -0.200 0.000 2.304 187 W HA 0.236 4.896 4.660 0.000 0.000 0.326 187 W C 1.831 178.287 176.519 -0.106 0.000 0.920 187 W CA -0.145 57.117 57.345 -0.138 0.000 1.518 187 W CB 0.285 29.686 29.460 -0.100 0.000 1.112 187 W HN 0.934 nan 8.180 nan 0.000 0.528 188 T N -3.127 111.456 114.554 0.047 0.000 3.022 188 T HA 0.283 4.634 4.350 0.000 0.000 0.250 188 T C 1.259 175.945 174.700 -0.024 0.000 1.060 188 T CA 0.281 62.397 62.100 0.026 0.000 1.013 188 T CB -0.114 68.769 68.868 0.026 0.000 0.982 188 T HN -0.016 nan 8.240 nan 0.000 0.508 189 G N 1.457 110.209 108.800 -0.081 0.000 2.225 189 G HA2 0.347 4.307 3.960 0.000 0.000 0.245 189 G HA3 0.347 4.307 3.960 0.000 0.000 0.245 189 G C -0.630 174.193 174.900 -0.129 0.000 1.249 189 G CA -0.280 44.748 45.100 -0.121 0.000 0.919 189 G HN 0.592 nan 8.290 nan 0.000 0.486 190 K N 1.848 122.155 120.400 -0.155 0.000 2.535 190 K HA 0.217 4.537 4.320 0.000 0.000 0.251 190 K C -0.180 176.291 176.600 -0.214 0.000 0.942 190 K CA -0.719 55.481 56.287 -0.145 0.000 0.798 190 K CB 1.816 34.268 32.500 -0.080 0.000 1.267 190 K HN 0.596 nan 8.250 nan 0.000 0.434 191 E N 3.062 123.150 120.200 -0.186 0.000 2.529 191 E HA -0.133 4.217 4.350 0.000 0.000 0.259 191 E C -0.557 175.951 176.600 -0.153 0.000 0.966 191 E CA 0.897 57.187 56.400 -0.184 0.000 0.937 191 E CB 0.276 29.905 29.700 -0.119 0.000 0.923 191 E HN 0.662 nan 8.360 nan 0.000 0.468 192 D N 2.298 122.588 120.400 -0.183 0.000 2.978 192 D HA -0.251 4.389 4.640 0.000 0.000 0.205 192 D C 0.676 177.013 176.300 0.062 0.000 1.093 192 D CA 1.639 55.654 54.000 0.024 0.000 1.006 192 D CB -0.855 40.001 40.800 0.094 0.000 1.116 192 D HN 0.522 nan 8.370 nan 0.000 0.419 193 I N -1.037 119.474 120.570 -0.100 0.000 3.650 193 I HA 0.130 4.301 4.170 0.000 0.000 0.261 193 I C 0.446 176.618 176.117 0.092 0.000 1.154 193 I CA 0.036 61.365 61.300 0.050 0.000 1.418 193 I CB 0.529 38.546 38.000 0.028 0.000 1.539 193 I HN -0.207 nan 8.210 nan 0.000 0.449 194 I N 0.639 121.172 120.570 -0.060 0.000 2.406 194 I HA 0.255 4.425 4.170 0.000 0.000 0.290 194 I C -1.506 174.572 176.117 -0.066 0.000 0.999 194 I CA -0.298 61.038 61.300 0.059 0.000 1.124 194 I CB 1.339 39.370 38.000 0.053 0.000 1.289 194 I HN -0.048 nan 8.210 nan 0.000 0.441 195 Y N 4.727 125.118 120.300 0.153 0.000 2.345 195 Y HA 0.458 5.008 4.550 0.000 0.000 0.331 195 Y C -0.023 175.946 175.900 0.116 0.000 0.959 195 Y CA -0.925 57.262 58.100 0.146 0.000 1.204 195 Y CB 1.032 39.647 38.460 0.258 0.000 1.135 195 Y HN 0.433 nan 8.280 nan 0.000 0.477 196 N N 2.248 121.007 118.700 0.099 0.000 2.437 196 N HA 0.319 5.059 4.740 0.000 0.000 0.259 196 N C 0.846 176.286 175.510 -0.118 0.000 0.983 196 N CA 0.476 53.508 53.050 -0.030 0.000 0.937 196 N CB 1.806 40.166 38.487 -0.211 0.000 1.122 196 N HN 1.000 nan 8.380 nan 0.000 0.499 197 G N 1.763 110.518 108.800 -0.074 0.000 2.168 197 G HA2 -0.261 3.699 3.960 0.000 0.000 0.263 197 G HA3 -0.261 3.699 3.960 0.000 0.000 0.263 197 G C 0.125 174.868 174.900 -0.262 0.000 0.977 197 G CA 0.852 45.836 45.100 -0.193 0.000 0.659 197 G HN 0.664 nan 8.290 nan 0.000 0.533 198 I N -2.234 118.247 120.570 -0.148 0.000 2.828 198 I HA 0.801 4.971 4.170 0.000 0.000 0.302 198 I C 0.308 176.361 176.117 -0.107 0.000 1.101 198 I CA -0.736 60.353 61.300 -0.353 0.000 1.031 198 I CB 2.046 39.657 38.000 -0.647 0.000 1.231 198 I HN 0.152 nan 8.210 nan 0.000 0.427 199 T N -0.390 113.994 114.554 -0.282 0.000 2.913 199 T HA 0.353 4.703 4.350 0.000 0.000 0.287 199 T C -0.149 174.251 174.700 -0.501 0.000 1.008 199 T CA -0.677 61.070 62.100 -0.589 0.000 1.067 199 T CB 1.229 69.898 68.868 -0.331 0.000 0.996 199 T HN 0.766 nan 8.240 nan 0.000 0.513 200 D N 0.853 120.691 120.400 -0.936 0.000 2.414 200 D HA 0.002 4.642 4.640 0.000 0.000 0.259 200 D C 1.031 177.247 176.300 -0.141 0.000 1.269 200 D CA -1.034 52.501 54.000 -0.774 0.000 1.028 200 D CB 0.135 40.459 40.800 -0.793 0.000 1.093 200 D HN 0.722 nan 8.370 nan 0.000 0.545 201 W N 0.252 121.497 121.300 -0.091 0.000 2.315 201 W HA -0.244 4.417 4.660 0.000 0.000 0.323 201 W C 2.174 178.601 176.519 -0.152 0.000 1.233 201 W CA 2.544 59.832 57.345 -0.095 0.000 1.267 201 W CB -0.501 28.844 29.460 -0.192 0.000 1.160 201 W HN 0.190 nan 8.180 nan 0.000 0.474 202 V N -0.259 119.754 119.914 0.164 0.000 2.548 202 V HA -0.255 3.865 4.120 0.000 0.000 0.249 202 V C 1.845 177.800 176.094 -0.232 0.000 1.055 202 V CA 1.861 64.153 62.300 -0.014 0.000 1.065 202 V CB -0.731 31.085 31.823 -0.012 0.000 0.681 202 V HN 0.306 nan 8.190 nan 0.000 0.462 203 Y N 0.671 120.847 120.300 -0.205 0.000 2.242 203 Y HA -0.194 4.356 4.550 0.000 0.000 0.291 203 Y C 2.598 178.434 175.900 -0.107 0.000 1.137 203 Y CA 2.193 60.191 58.100 -0.170 0.000 1.181 203 Y CB -0.069 38.185 38.460 -0.343 0.000 0.989 203 Y HN 0.353 nan 8.280 nan 0.000 0.527 204 E N 0.293 120.471 120.200 -0.037 0.000 2.031 204 E HA -0.293 4.057 4.350 0.000 0.000 0.193 204 E C 2.049 178.612 176.600 -0.062 0.000 0.994 204 E CA 1.568 57.959 56.400 -0.015 0.000 0.800 204 E CB -0.015 29.666 29.700 -0.032 0.000 0.752 204 E HN 0.359 nan 8.360 nan 0.000 0.447 205 E N 0.145 120.111 120.200 -0.390 0.000 2.072 205 E HA -0.153 4.197 4.350 0.000 0.000 0.190 205 E C 1.522 178.008 176.600 -0.190 0.000 0.982 205 E CA 1.466 57.613 56.400 -0.421 0.000 0.803 205 E CB 0.208 29.280 29.700 -1.046 0.000 0.755 205 E HN 0.207 nan 8.360 nan 0.000 0.453 206 E N -1.167 118.909 120.200 -0.207 0.000 2.485 206 E HA 0.126 4.476 4.350 0.000 0.000 0.213 206 E C 1.602 178.093 176.600 -0.183 0.000 0.923 206 E CA 0.301 56.622 56.400 -0.132 0.000 1.054 206 E CB 1.086 30.708 29.700 -0.131 0.000 1.077 206 E HN 0.172 nan 8.360 nan 0.000 0.509 207 V N -0.510 119.266 119.914 -0.231 0.000 2.721 207 V HA 0.084 4.204 4.120 0.000 0.000 0.236 207 V C 1.395 177.285 176.094 -0.341 0.000 1.116 207 V CA 0.745 62.833 62.300 -0.353 0.000 1.148 207 V CB -0.205 31.324 31.823 -0.490 0.000 0.886 207 V HN 0.022 nan 8.190 nan 0.000 0.490 208 F N 0.585 120.564 119.950 0.048 0.000 2.731 208 F HA 0.275 4.802 4.527 0.000 0.000 0.298 208 F C 1.491 177.261 175.800 -0.049 0.000 1.106 208 F CA 0.348 58.385 58.000 0.061 0.000 1.329 208 F CB -0.086 38.992 39.000 0.131 0.000 1.100 208 F HN 0.061 nan 8.300 nan 0.000 0.592 209 S N 0.647 116.360 115.700 0.023 0.000 3.549 209 S HA 0.001 4.471 4.470 0.000 0.000 0.366 209 S C 0.028 174.198 174.600 -0.717 0.000 1.012 209 S CA 0.375 58.427 58.200 -0.247 0.000 1.141 209 S CB -1.870 61.257 63.200 -0.121 0.000 0.910 209 S HN 0.655 nan 8.310 nan 0.000 0.471 210 A N -0.761 121.866 122.820 -0.321 0.000 2.599 210 A HA 0.675 4.996 4.320 0.000 0.000 0.294 210 A C -0.270 177.292 177.584 -0.036 0.000 1.055 210 A CA -0.480 51.417 52.037 -0.233 0.000 0.683 210 A CB 0.323 19.204 19.000 -0.199 0.000 1.278 210 A HN 0.302 nan 8.150 nan 0.000 0.412 211 Y N 1.618 121.768 120.300 -0.250 0.000 2.243 211 Y HA 0.001 4.551 4.550 0.000 0.000 0.293 211 Y C 1.811 177.396 175.900 -0.525 0.000 1.124 211 Y CA 1.099 59.031 58.100 -0.281 0.000 1.159 211 Y CB 0.190 38.531 38.460 -0.197 0.000 1.008 211 Y HN 0.833 nan 8.280 nan 0.000 0.527 212 S N 0.749 115.861 115.700 -0.980 0.000 2.560 212 S HA 0.313 4.783 4.470 0.000 0.000 0.284 212 S C 0.044 174.073 174.600 -0.952 0.000 1.327 212 S CA -0.128 57.271 58.200 -1.335 0.000 1.055 212 S CB 1.472 63.444 63.200 -2.047 0.000 0.868 212 S HN 0.394 nan 8.310 nan 0.000 0.506 213 A N 3.298 125.570 122.820 -0.914 0.000 2.992 213 A HA 0.559 4.879 4.320 0.000 0.000 0.263 213 A C -0.435 176.433 177.584 -1.194 0.000 0.928 213 A CA -0.623 50.757 52.037 -1.095 0.000 1.061 213 A CB -0.058 18.773 19.000 -0.281 0.000 1.173 213 A HN 0.784 nan 8.150 nan 0.000 0.482 214 L N 0.632 121.094 121.223 -1.269 0.000 2.381 214 L HA 0.535 4.875 4.340 0.000 0.000 0.274 214 L C -1.132 175.336 176.870 -0.669 0.000 0.988 214 L CA -0.447 53.978 54.840 -0.692 0.000 0.824 214 L CB 1.714 43.568 42.059 -0.342 0.000 1.263 214 L HN 0.481 nan 8.230 nan 0.000 0.410 215 W N 2.978 124.326 121.300 0.080 0.000 2.485 215 W HA 0.228 4.888 4.660 0.000 0.000 0.297 215 W C -0.787 175.939 176.519 0.345 0.000 0.999 215 W CA -1.184 56.326 57.345 0.275 0.000 1.512 215 W CB 1.033 30.713 29.460 0.367 0.000 1.322 215 W HN 0.509 nan 8.180 nan 0.000 0.419 216 W N 2.254 123.739 121.300 0.308 0.000 2.209 216 W HA 0.081 4.741 4.660 0.000 0.000 0.344 216 W C 1.406 177.707 176.519 -0.362 0.000 1.285 216 W CA 0.697 58.083 57.345 0.070 0.000 1.267 216 W CB 0.564 30.055 29.460 0.051 0.000 1.167 216 W HN 0.169 nan 8.180 nan 0.000 0.574 217 S N 2.480 117.893 115.700 -0.477 0.000 2.592 217 S HA 0.204 4.675 4.470 0.000 0.000 0.271 217 S C -1.751 172.609 174.600 -0.400 0.000 1.326 217 S CA -1.159 56.260 58.200 -1.303 0.000 1.024 217 S CB 1.296 63.749 63.200 -1.246 0.000 0.921 217 S HN 0.270 nan 8.310 nan 0.000 0.527 218 P HA -0.191 nan 4.420 nan 0.000 0.218 218 P C 0.889 178.177 177.300 -0.019 0.000 1.152 218 P CA 1.572 64.651 63.100 -0.034 0.000 0.857 218 P CB -0.190 31.535 31.700 0.042 0.000 0.787 219 N N -2.216 116.464 118.700 -0.033 0.000 2.280 219 N HA 0.096 4.836 4.740 0.000 0.000 0.192 219 N C 1.181 176.658 175.510 -0.056 0.000 1.109 219 N CA 0.836 53.873 53.050 -0.022 0.000 0.855 219 N CB -0.831 37.659 38.487 0.006 0.000 0.974 219 N HN 0.184 nan 8.380 nan 0.000 0.482 220 G N -0.592 108.183 108.800 -0.041 0.000 2.136 220 G HA2 -0.305 3.656 3.960 0.000 0.000 0.242 220 G HA3 -0.305 3.656 3.960 0.000 0.000 0.242 220 G C 0.753 175.719 174.900 0.111 0.000 0.989 220 G CA 0.786 45.862 45.100 -0.040 0.000 0.682 220 G HN 0.385 nan 8.290 nan 0.000 0.522 221 T N -0.461 114.122 114.554 0.048 0.000 2.851 221 T HA 0.289 4.639 4.350 0.000 0.000 0.262 221 T C 0.656 175.224 174.700 -0.219 0.000 1.043 221 T CA 1.027 63.056 62.100 -0.119 0.000 1.140 221 T CB 0.044 68.781 68.868 -0.219 0.000 0.872 221 T HN 0.301 nan 8.240 nan 0.000 0.446 222 F N 0.644 120.638 119.950 0.074 0.000 2.495 222 F HA 0.589 5.116 4.527 0.000 0.000 0.327 222 F C -0.472 175.365 175.800 0.061 0.000 1.103 222 F CA -1.448 56.618 58.000 0.111 0.000 0.949 222 F CB 1.434 40.594 39.000 0.267 0.000 1.142 222 F HN -0.112 nan 8.300 nan 0.000 0.457 223 L N 3.669 124.963 121.223 0.119 0.000 2.262 223 L HA 0.742 5.083 4.340 0.000 0.000 0.288 223 L C -0.281 176.670 176.870 0.135 0.000 1.035 223 L CA -0.439 54.303 54.840 -0.163 0.000 0.820 223 L CB 0.521 42.230 42.059 -0.583 0.000 1.204 223 L HN 0.671 nan 8.230 nan 0.000 0.424 224 A N 5.329 128.316 122.820 0.278 0.000 2.309 224 A HA 0.671 4.991 4.320 0.000 0.000 0.298 224 A C -1.266 176.404 177.584 0.145 0.000 1.165 224 A CA -0.259 51.856 52.037 0.130 0.000 0.821 224 A CB 0.282 19.507 19.000 0.376 0.000 1.102 224 A HN 0.788 nan 8.150 nan 0.000 0.500 225 Y N -1.091 119.011 120.300 -0.330 0.000 2.597 225 Y HA 0.765 5.315 4.550 0.000 0.000 0.340 225 Y C -0.345 175.405 175.900 -0.251 0.000 1.097 225 Y CA -1.022 56.968 58.100 -0.183 0.000 1.037 225 Y CB 1.036 39.368 38.460 -0.213 0.000 1.305 225 Y HN 0.870 nan 8.280 nan 0.000 0.463 226 A N 2.394 125.306 122.820 0.153 0.000 2.324 226 A HA 0.623 4.944 4.320 0.000 0.000 0.330 226 A C -1.136 176.356 177.584 -0.152 0.000 1.165 226 A CA -0.841 51.149 52.037 -0.078 0.000 0.813 226 A CB 1.584 20.488 19.000 -0.160 0.000 1.197 226 A HN 0.823 nan 8.150 nan 0.000 0.484 227 Q N 1.530 121.202 119.800 -0.212 0.000 2.322 227 Q HA 0.621 4.962 4.340 0.000 0.000 0.265 227 Q C -1.936 173.851 176.000 -0.354 0.000 0.985 227 Q CA -0.360 55.402 55.803 -0.067 0.000 0.849 227 Q CB 0.881 29.786 28.738 0.279 0.000 1.274 227 Q HN 0.600 nan 8.270 nan 0.000 0.449 228 F N 2.445 122.501 119.950 0.176 0.000 2.450 228 F HA 0.411 4.938 4.527 0.000 0.000 0.332 228 F C 0.198 176.162 175.800 0.274 0.000 1.093 228 F CA -0.959 57.126 58.000 0.141 0.000 1.003 228 F CB 1.483 40.466 39.000 -0.029 0.000 1.151 228 F HN 0.525 nan 8.300 nan 0.000 0.474 229 N N 1.116 120.052 118.700 0.393 0.000 2.531 229 N HA 0.278 5.018 4.740 0.000 0.000 0.268 229 N C -1.020 174.673 175.510 0.305 0.000 1.023 229 N CA -0.464 52.778 53.050 0.321 0.000 0.896 229 N CB 0.838 39.453 38.487 0.213 0.000 1.233 229 N HN 0.429 nan 8.380 nan 0.000 0.512 230 D N 1.585 122.191 120.400 0.342 0.000 2.358 230 D HA 0.107 4.747 4.640 0.000 0.000 0.224 230 D C 1.045 177.466 176.300 0.203 0.000 1.123 230 D CA 0.209 54.383 54.000 0.290 0.000 0.833 230 D CB 0.386 41.412 40.800 0.378 0.000 0.946 230 D HN 0.551 nan 8.370 nan 0.000 0.505 231 T N 0.551 115.205 114.554 0.167 0.000 2.624 231 T HA -0.206 4.144 4.350 0.000 0.000 0.268 231 T C 1.395 176.153 174.700 0.098 0.000 1.041 231 T CA 1.350 63.520 62.100 0.117 0.000 1.159 231 T CB -0.074 68.851 68.868 0.095 0.000 0.863 231 T HN 0.306 nan 8.240 nan 0.000 0.434 232 E N 0.393 120.651 120.200 0.096 0.000 2.463 232 E HA 0.160 4.510 4.350 0.000 0.000 0.193 232 E C -0.290 176.360 176.600 0.084 0.000 1.041 232 E CA -0.267 56.179 56.400 0.077 0.000 0.879 232 E CB 0.403 30.141 29.700 0.063 0.000 0.997 232 E HN 0.209 nan 8.360 nan 0.000 0.478 233 V N 3.615 123.594 119.914 0.108 0.000 2.521 233 V HA 0.082 4.202 4.120 0.000 0.000 0.286 233 V C -2.029 174.124 176.094 0.100 0.000 1.034 233 V CA -1.484 60.885 62.300 0.114 0.000 1.045 233 V CB 0.286 32.198 31.823 0.148 0.000 0.974 233 V HN 0.044 nan 8.190 nan 0.000 0.480 234 P HA 0.292 nan 4.420 nan 0.000 0.275 234 P C -0.722 176.618 177.300 0.067 0.000 1.228 234 P CA -0.341 62.800 63.100 0.067 0.000 0.786 234 P CB 0.489 32.225 31.700 0.060 0.000 0.927 235 L N 2.707 123.950 121.223 0.033 0.000 2.292 235 L HA 0.384 4.724 4.340 0.000 0.000 0.284 235 L C 0.637 177.470 176.870 -0.063 0.000 1.065 235 L CA -0.920 53.922 54.840 0.004 0.000 0.806 235 L CB 0.462 42.517 42.059 -0.006 0.000 1.175 235 L HN 0.302 nan 8.230 nan 0.000 0.431 236 I N 2.830 123.317 120.570 -0.138 0.000 2.529 236 I HA 0.141 4.311 4.170 0.000 0.000 0.284 236 I C -0.141 175.854 176.117 -0.204 0.000 1.082 236 I CA 0.440 61.561 61.300 -0.298 0.000 1.406 236 I CB 0.567 38.099 38.000 -0.780 0.000 1.405 236 I HN 0.590 nan 8.210 nan 0.000 0.548 237 E N 7.372 127.472 120.200 -0.167 0.000 2.210 237 E HA 0.478 4.828 4.350 0.000 0.000 0.266 237 E C -1.729 174.835 176.600 -0.059 0.000 0.883 237 E CA -0.580 55.724 56.400 -0.160 0.000 0.761 237 E CB 1.861 31.487 29.700 -0.124 0.000 1.156 237 E HN 0.569 nan 8.360 nan 0.000 0.412 238 Y N -1.582 118.639 120.300 -0.133 0.000 2.588 238 Y HA 0.573 5.123 4.550 0.000 0.000 0.343 238 Y C -0.545 175.284 175.900 -0.119 0.000 1.065 238 Y CA -1.368 56.660 58.100 -0.119 0.000 1.038 238 Y CB 0.895 39.297 38.460 -0.097 0.000 1.297 238 Y HN 0.175 nan 8.280 nan 0.000 0.467 239 S N 1.888 117.559 115.700 -0.048 0.000 2.548 239 S HA 0.393 4.863 4.470 0.000 0.000 0.277 239 S C -1.311 173.085 174.600 -0.341 0.000 1.315 239 S CA -0.394 57.617 58.200 -0.316 0.000 1.050 239 S CB 0.281 63.148 63.200 -0.554 0.000 0.918 239 S HN 0.538 nan 8.310 nan 0.000 0.497 240 F N 2.501 122.170 119.950 -0.469 0.000 2.477 240 F HA 0.424 4.952 4.527 0.000 0.000 0.335 240 F C -0.111 175.470 175.800 -0.365 0.000 1.130 240 F CA -0.846 56.961 58.000 -0.321 0.000 0.948 240 F CB 0.783 39.727 39.000 -0.094 0.000 1.154 240 F HN 0.665 nan 8.300 nan 0.000 0.439 241 Y N 2.669 122.755 120.300 -0.357 0.000 2.397 241 Y HA 0.135 4.685 4.550 0.000 0.000 0.292 241 Y C 1.637 177.452 175.900 -0.141 0.000 1.115 241 Y CA 0.966 58.946 58.100 -0.199 0.000 1.208 241 Y CB -0.427 37.910 38.460 -0.206 0.000 1.046 241 Y HN 0.729 nan 8.280 nan 0.000 0.552 242 S N -0.253 115.339 115.700 -0.181 0.000 3.795 242 S HA -0.290 4.180 4.470 0.000 0.000 0.639 242 S C -0.288 174.349 174.600 0.063 0.000 2.014 242 S CA -0.073 58.180 58.200 0.088 0.000 2.183 242 S CB -1.310 62.043 63.200 0.255 0.000 0.328 242 S HN 0.602 nan 8.310 nan 0.000 1.794 243 D N 1.299 121.758 120.400 0.100 0.000 2.443 243 D HA 0.166 4.806 4.640 0.000 0.000 0.234 243 D C 1.627 177.957 176.300 0.049 0.000 1.172 243 D CA 0.912 54.952 54.000 0.067 0.000 0.878 243 D CB 0.395 41.238 40.800 0.071 0.000 1.204 243 D HN 0.574 nan 8.370 nan 0.000 0.453 244 E N 0.337 120.554 120.200 0.028 0.000 2.401 244 E HA -0.205 4.145 4.350 0.000 0.000 0.199 244 E C 1.328 177.938 176.600 0.016 0.000 1.023 244 E CA 0.986 57.394 56.400 0.014 0.000 0.859 244 E CB -0.252 29.447 29.700 -0.002 0.000 0.780 244 E HN 0.352 nan 8.360 nan 0.000 0.523 245 S N 0.517 116.234 115.700 0.028 0.000 2.522 245 S HA 0.003 4.473 4.470 0.000 0.000 0.227 245 S C 1.012 175.636 174.600 0.039 0.000 0.986 245 S CA -0.234 57.983 58.200 0.028 0.000 0.929 245 S CB -0.171 63.048 63.200 0.032 0.000 0.769 245 S HN 0.292 nan 8.310 nan 0.000 0.529 246 L N 2.478 123.734 121.223 0.054 0.000 2.385 246 L HA 0.197 4.537 4.340 0.000 0.000 0.281 246 L C 1.530 178.431 176.870 0.052 0.000 1.106 246 L CA -0.016 54.868 54.840 0.074 0.000 0.856 246 L CB 1.086 43.206 42.059 0.102 0.000 1.186 246 L HN 0.441 nan 8.230 nan 0.000 0.453 247 Q N 4.137 123.967 119.800 0.051 0.000 2.079 247 Q HA -0.108 4.232 4.340 0.000 0.000 0.200 247 Q C -0.555 175.346 176.000 -0.166 0.000 0.974 247 Q CA 1.393 57.165 55.803 -0.051 0.000 0.840 247 Q CB 0.195 28.916 28.738 -0.028 0.000 0.898 247 Q HN 0.592 nan 8.270 nan 0.000 0.430 248 Y N 0.808 121.126 120.300 0.029 0.000 2.335 248 Y HA 0.366 4.916 4.550 0.000 0.000 0.338 248 Y C -1.981 173.940 175.900 0.034 0.000 0.977 248 Y CA -2.877 55.239 58.100 0.027 0.000 1.114 248 Y CB 1.245 39.712 38.460 0.012 0.000 1.182 248 Y HN 0.177 nan 8.280 nan 0.000 0.463 249 P HA -0.016 nan 4.420 nan 0.000 0.268 249 P C -0.539 176.792 177.300 0.052 0.000 1.208 249 P CA -0.332 62.818 63.100 0.083 0.000 0.777 249 P CB 0.735 32.454 31.700 0.032 0.000 0.875 250 K N 1.041 121.452 120.400 0.019 0.000 2.130 250 K HA 0.321 4.641 4.320 0.000 0.000 0.268 250 K C -0.647 175.915 176.600 -0.063 0.000 0.983 250 K CA -0.251 56.043 56.287 0.011 0.000 0.893 250 K CB 0.739 33.277 32.500 0.064 0.000 1.066 250 K HN 0.351 nan 8.250 nan 0.000 0.450 251 T N 2.807 117.308 114.554 -0.088 0.000 2.743 251 T HA 0.223 4.573 4.350 0.000 0.000 0.292 251 T C -0.379 174.199 174.700 -0.203 0.000 0.972 251 T CA -0.562 61.448 62.100 -0.150 0.000 0.967 251 T CB 1.006 69.802 68.868 -0.119 0.000 0.926 251 T HN 0.232 nan 8.240 nan 0.000 0.459 252 V N 5.618 125.315 119.914 -0.362 0.000 2.498 252 V HA 0.415 4.536 4.120 0.000 0.000 0.279 252 V C 0.434 176.264 176.094 -0.439 0.000 1.048 252 V CA -0.552 61.481 62.300 -0.445 0.000 0.967 252 V CB 0.783 32.175 31.823 -0.717 0.000 0.988 252 V HN 0.720 nan 8.190 nan 0.000 0.473 253 R N 3.628 123.998 120.500 -0.217 0.000 2.409 253 R HA 0.712 5.052 4.340 0.000 0.000 0.313 253 R C -1.613 174.676 176.300 -0.018 0.000 0.953 253 R CA -0.541 55.483 56.100 -0.128 0.000 0.849 253 R CB 2.098 32.351 30.300 -0.079 0.000 1.171 253 R HN 0.527 nan 8.270 nan 0.000 0.458 254 V N 3.925 123.836 119.914 -0.005 0.000 2.531 254 V HA 0.345 4.465 4.120 0.000 0.000 0.301 254 V C -2.365 173.781 176.094 0.087 0.000 1.034 254 V CA -2.584 59.776 62.300 0.101 0.000 0.865 254 V CB 2.123 33.990 31.823 0.075 0.000 0.995 254 V HN 0.605 nan 8.190 nan 0.000 0.424 255 P HA 0.164 nan 4.420 nan 0.000 0.265 255 P C -1.285 176.118 177.300 0.171 0.000 1.222 255 P CA 0.437 63.640 63.100 0.173 0.000 0.767 255 P CB -0.190 31.654 31.700 0.240 0.000 0.801 256 Y N 6.068 126.344 120.300 -0.040 0.000 2.307 256 Y HA 0.385 4.935 4.550 0.000 0.000 0.323 256 Y C -2.690 173.180 175.900 -0.049 0.000 1.100 256 Y CA -2.739 55.281 58.100 -0.134 0.000 1.140 256 Y CB 2.141 40.411 38.460 -0.317 0.000 1.159 256 Y HN 0.292 nan 8.280 nan 0.000 0.436 257 P HA 0.259 nan 4.420 nan 0.000 0.291 257 P C -1.159 176.183 177.300 0.069 0.000 1.340 257 P CA -0.213 62.920 63.100 0.055 0.000 0.799 257 P CB 1.287 33.006 31.700 0.033 0.000 0.917 258 K N 1.904 122.437 120.400 0.222 0.000 2.102 258 K HA 0.544 4.864 4.320 0.000 0.000 0.244 258 K C 0.464 177.171 176.600 0.178 0.000 1.021 258 K CA -0.828 55.613 56.287 0.256 0.000 0.913 258 K CB 0.656 33.328 32.500 0.286 0.000 1.062 258 K HN 0.419 nan 8.250 nan 0.000 0.485 259 A N 0.927 123.882 122.820 0.225 0.000 2.563 259 A HA 0.253 4.573 4.320 0.000 0.000 0.256 259 A C 1.160 178.788 177.584 0.073 0.000 1.056 259 A CA 1.135 53.292 52.037 0.199 0.000 0.775 259 A CB -1.417 17.802 19.000 0.364 0.000 0.973 259 A HN 0.913 nan 8.150 nan 0.000 0.516 260 G N 1.051 109.882 108.800 0.052 0.000 2.213 260 G HA2 0.139 4.099 3.960 0.000 0.000 0.236 260 G HA3 0.139 4.099 3.960 0.000 0.000 0.236 260 G C 0.671 175.587 174.900 0.027 0.000 0.991 260 G CA 0.534 45.638 45.100 0.005 0.000 0.629 260 G HN 2.149 nan 8.290 nan 0.000 0.517 261 A N -0.049 122.805 122.820 0.056 0.000 2.280 261 A HA 0.714 5.034 4.320 0.000 0.000 0.268 261 A C 0.933 178.551 177.584 0.056 0.000 1.111 261 A CA 0.376 52.449 52.037 0.060 0.000 0.814 261 A CB 0.558 19.610 19.000 0.086 0.000 1.093 261 A HN 1.191 nan 8.150 nan 0.000 0.498 262 V N 2.529 122.476 119.914 0.056 0.000 2.493 262 V HA -0.014 4.106 4.120 0.000 0.000 0.292 262 V C 0.458 176.598 176.094 0.076 0.000 1.016 262 V CA 0.036 62.369 62.300 0.055 0.000 1.097 262 V CB -0.444 31.413 31.823 0.055 0.000 0.947 262 V HN 0.804 nan 8.190 nan 0.000 0.479 263 N N 6.655 125.398 118.700 0.072 0.000 2.445 263 N HA 0.399 5.139 4.740 0.000 0.000 0.264 263 N C -2.348 173.249 175.510 0.146 0.000 1.227 263 N CA -1.499 51.617 53.050 0.111 0.000 0.963 263 N CB 0.733 39.279 38.487 0.098 0.000 1.188 263 N HN 0.391 nan 8.380 nan 0.000 0.491 264 P HA 0.050 nan 4.420 nan 0.000 0.269 264 P C -0.450 177.018 177.300 0.281 0.000 1.209 264 P CA -0.064 63.212 63.100 0.294 0.000 0.776 264 P CB 0.219 32.172 31.700 0.421 0.000 0.876 265 T N -1.019 113.672 114.554 0.227 0.000 2.943 265 T HA 0.564 4.914 4.350 0.000 0.000 0.284 265 T C -0.250 174.574 174.700 0.207 0.000 1.015 265 T CA -0.841 61.350 62.100 0.152 0.000 1.042 265 T CB 1.515 70.431 68.868 0.080 0.000 1.055 265 T HN 0.314 nan 8.240 nan 0.000 0.500 266 V N 0.902 120.911 119.914 0.159 0.000 2.789 266 V HA 0.697 4.817 4.120 0.000 0.000 0.311 266 V C -1.354 174.795 176.094 0.092 0.000 1.073 266 V CA -0.880 61.457 62.300 0.061 0.000 0.921 266 V CB 1.992 33.850 31.823 0.058 0.000 1.009 266 V HN 1.025 nan 8.190 nan 0.000 0.426 267 K N 4.743 125.133 120.400 -0.018 0.000 2.328 267 K HA 0.561 4.881 4.320 0.000 0.000 0.246 267 K C -1.762 174.725 176.600 -0.187 0.000 0.955 267 K CA -0.513 55.721 56.287 -0.087 0.000 0.817 267 K CB 2.824 35.245 32.500 -0.132 0.000 1.208 267 K HN 0.567 nan 8.250 nan 0.000 0.432 268 F N 2.038 121.689 119.950 -0.498 0.000 2.495 268 F HA 0.556 5.083 4.527 0.000 0.000 0.327 268 F C -1.395 173.863 175.800 -0.903 0.000 1.103 268 F CA -0.685 57.012 58.000 -0.505 0.000 0.949 268 F CB 0.877 39.735 39.000 -0.237 0.000 1.142 268 F HN 0.384 nan 8.300 nan 0.000 0.457 269 F N 3.956 123.203 119.950 -1.172 0.000 2.599 269 F HA 0.720 5.247 4.527 0.000 0.000 0.311 269 F C -0.979 174.171 175.800 -1.083 0.000 1.076 269 F CA -1.170 56.235 58.000 -0.992 0.000 0.937 269 F CB 2.050 40.349 39.000 -1.169 0.000 1.282 269 F HN 0.150 nan 8.300 nan 0.000 0.460 270 V N 2.367 122.073 119.914 -0.346 0.000 2.680 270 V HA 0.722 4.843 4.120 0.000 0.000 0.309 270 V C -1.090 175.132 176.094 0.213 0.000 1.052 270 V CA -0.940 61.269 62.300 -0.150 0.000 0.908 270 V CB 1.966 33.541 31.823 -0.414 0.000 1.001 270 V HN 0.602 nan 8.190 nan 0.000 0.431 271 V N 3.186 123.287 119.914 0.311 0.000 2.638 271 V HA 0.545 4.665 4.120 0.000 0.000 0.306 271 V C -0.507 175.754 176.094 0.280 0.000 1.052 271 V CA -0.609 61.875 62.300 0.306 0.000 0.885 271 V CB 2.083 34.022 31.823 0.194 0.000 0.999 271 V HN 0.959 nan 8.190 nan 0.000 0.424 272 N N 3.717 122.522 118.700 0.175 0.000 2.399 272 N HA 0.115 4.856 4.740 0.000 0.000 0.259 272 N C 1.127 176.534 175.510 -0.172 0.000 1.160 272 N CA 0.690 53.593 53.050 -0.244 0.000 0.946 272 N CB 1.498 39.821 38.487 -0.274 0.000 1.156 272 N HN 0.881 nan 8.380 nan 0.000 0.489 273 T N -0.684 113.768 114.554 -0.170 0.000 3.148 273 T HA 0.060 4.410 4.350 0.000 0.000 0.253 273 T C 0.611 175.243 174.700 -0.114 0.000 1.134 273 T CA 0.413 62.470 62.100 -0.072 0.000 1.051 273 T CB 0.200 69.141 68.868 0.122 0.000 0.959 273 T HN 0.255 nan 8.240 nan 0.000 0.525 274 D N 1.784 122.082 120.400 -0.171 0.000 2.354 274 D HA 0.066 4.706 4.640 0.000 0.000 0.209 274 D C 1.616 177.831 176.300 -0.142 0.000 1.015 274 D CA 0.651 54.562 54.000 -0.148 0.000 0.867 274 D CB 0.271 40.977 40.800 -0.157 0.000 0.933 274 D HN 0.628 nan 8.370 nan 0.000 0.520 275 S N -0.060 115.553 115.700 -0.146 0.000 2.574 275 S HA 0.174 4.644 4.470 0.000 0.000 0.242 275 S C 0.384 174.903 174.600 -0.135 0.000 0.982 275 S CA -0.548 57.588 58.200 -0.106 0.000 0.977 275 S CB -0.042 63.124 63.200 -0.056 0.000 0.814 275 S HN -0.125 nan 8.310 nan 0.000 0.464 276 L N 3.325 124.401 121.223 -0.246 0.000 2.565 276 L HA 0.338 4.678 4.340 0.000 0.000 0.275 276 L C 0.642 177.293 176.870 -0.365 0.000 1.137 276 L CA 0.355 54.966 54.840 -0.382 0.000 0.915 276 L CB -0.008 41.611 42.059 -0.733 0.000 1.232 276 L HN 0.395 nan 8.230 nan 0.000 0.473 277 S N 1.698 117.324 115.700 -0.123 0.000 2.601 277 S HA 0.208 4.678 4.470 0.000 0.000 0.271 277 S C 1.148 175.840 174.600 0.152 0.000 1.305 277 S CA -0.290 57.915 58.200 0.008 0.000 1.022 277 S CB 1.152 64.370 63.200 0.030 0.000 0.940 277 S HN 0.635 nan 8.310 nan 0.000 0.525 278 S N 2.083 117.917 115.700 0.223 0.000 2.535 278 S HA 0.121 4.591 4.470 0.000 0.000 0.214 278 S C 1.172 175.865 174.600 0.155 0.000 0.980 278 S CA 0.114 58.476 58.200 0.270 0.000 0.907 278 S CB -0.067 63.284 63.200 0.251 0.000 0.790 278 S HN 0.603 nan 8.310 nan 0.000 0.510 279 V N 0.249 120.230 119.914 0.112 0.000 3.125 279 V HA 0.247 4.367 4.120 0.000 0.000 0.249 279 V C 1.092 177.223 176.094 0.060 0.000 1.113 279 V CA 0.767 63.112 62.300 0.074 0.000 1.106 279 V CB 0.155 32.010 31.823 0.054 0.000 0.768 279 V HN 0.505 nan 8.190 nan 0.000 0.468 280 T N 0.139 114.734 114.554 0.069 0.000 2.886 280 T HA 0.406 4.756 4.350 0.000 0.000 0.292 280 T C -0.439 174.306 174.700 0.075 0.000 1.012 280 T CA -0.645 61.484 62.100 0.048 0.000 0.982 280 T CB 1.363 70.248 68.868 0.029 0.000 1.018 280 T HN 0.109 nan 8.240 nan 0.000 0.451 281 N N 2.547 121.280 118.700 0.055 0.000 2.356 281 N HA 0.276 5.016 4.740 0.000 0.000 0.252 281 N C 0.278 175.851 175.510 0.106 0.000 1.241 281 N CA 0.359 53.472 53.050 0.105 0.000 0.861 281 N CB 0.520 39.001 38.487 -0.010 0.000 1.075 281 N HN 0.927 nan 8.380 nan 0.000 0.461 282 A N 2.107 125.014 122.820 0.146 0.000 2.566 282 A HA 0.105 4.425 4.320 0.000 0.000 0.245 282 A C 0.685 178.317 177.584 0.081 0.000 1.056 282 A CA 0.249 52.339 52.037 0.087 0.000 0.757 282 A CB -0.191 18.846 19.000 0.061 0.000 0.979 282 A HN 0.543 nan 8.150 nan 0.000 0.508 283 T N 2.770 117.369 114.554 0.075 0.000 2.801 283 T HA 0.492 4.842 4.350 0.000 0.000 0.306 283 T C -0.093 174.683 174.700 0.127 0.000 1.020 283 T CA -0.377 61.776 62.100 0.088 0.000 0.948 283 T CB -0.260 68.657 68.868 0.082 0.000 0.962 283 T HN 0.556 nan 8.240 nan 0.000 0.465 284 S N 5.900 121.671 115.700 0.117 0.000 2.480 284 S HA 0.530 5.000 4.470 0.000 0.000 0.286 284 S C 0.016 174.758 174.600 0.236 0.000 1.180 284 S CA -0.908 57.390 58.200 0.164 0.000 1.075 284 S CB 0.543 63.794 63.200 0.086 0.000 0.996 284 S HN 0.651 nan 8.310 nan 0.000 0.487 285 I N 2.928 123.680 120.570 0.304 0.000 2.342 285 I HA 0.256 4.426 4.170 0.000 0.000 0.291 285 I C 0.575 176.859 176.117 0.279 0.000 1.010 285 I CA -0.345 61.149 61.300 0.324 0.000 1.308 285 I CB 0.618 38.881 38.000 0.438 0.000 1.400 285 I HN 0.705 nan 8.210 nan 0.000 0.488 286 Q N 6.231 126.166 119.800 0.225 0.000 2.295 286 Q HA 0.382 4.723 4.340 0.000 0.000 0.259 286 Q C -0.801 175.164 176.000 -0.058 0.000 0.976 286 Q CA -0.350 55.404 55.803 -0.081 0.000 0.923 286 Q CB 0.797 29.448 28.738 -0.144 0.000 1.185 286 Q HN 0.548 nan 8.270 nan 0.000 0.410 287 I N 4.863 125.382 120.570 -0.086 0.000 2.322 287 I HA 0.129 4.299 4.170 0.000 0.000 0.292 287 I C 0.547 176.646 176.117 -0.030 0.000 1.060 287 I CA -0.416 60.893 61.300 0.015 0.000 1.309 287 I CB 0.921 38.975 38.000 0.091 0.000 1.415 287 I HN 0.666 nan 8.210 nan 0.000 0.492 288 T N 3.250 117.745 114.554 -0.099 0.000 2.899 288 T HA 0.627 4.977 4.350 0.000 0.000 0.284 288 T C 0.339 174.811 174.700 -0.381 0.000 1.004 288 T CA -0.950 61.025 62.100 -0.210 0.000 1.043 288 T CB 1.564 70.316 68.868 -0.195 0.000 1.013 288 T HN 0.592 nan 8.240 nan 0.000 0.518 289 A N 2.972 125.318 122.820 -0.790 0.000 2.425 289 A HA 0.530 4.850 4.320 0.000 0.000 0.242 289 A C -2.115 174.954 177.584 -0.859 0.000 1.077 289 A CA -1.329 49.801 52.037 -1.510 0.000 0.781 289 A CB -0.957 16.855 19.000 -1.980 0.000 1.020 289 A HN 0.728 nan 8.150 nan 0.000 0.494 290 P HA 0.156 nan 4.420 nan 0.000 0.268 290 P C 0.892 177.968 177.300 -0.373 0.000 1.208 290 P CA 0.657 63.508 63.100 -0.415 0.000 0.777 290 P CB 0.562 32.088 31.700 -0.289 0.000 0.875 291 A N 2.179 124.854 122.820 -0.242 0.000 1.948 291 A HA -0.223 4.098 4.320 0.000 0.000 0.220 291 A C 2.058 179.526 177.584 -0.192 0.000 1.177 291 A CA 2.468 54.387 52.037 -0.196 0.000 0.636 291 A CB -1.764 17.156 19.000 -0.133 0.000 0.815 291 A HN 0.630 nan 8.150 nan 0.000 0.449 292 S N -1.643 113.957 115.700 -0.167 0.000 2.555 292 S HA 0.028 4.498 4.470 0.000 0.000 0.230 292 S C 1.668 176.168 174.600 -0.167 0.000 0.978 292 S CA 1.186 59.305 58.200 -0.135 0.000 0.934 292 S CB -0.208 62.963 63.200 -0.049 0.000 0.766 292 S HN 0.427 nan 8.310 nan 0.000 0.533 293 M N 0.839 120.278 119.600 -0.268 0.000 2.556 293 M HA 0.334 4.814 4.480 0.000 0.000 0.264 293 M C 1.984 178.026 176.300 -0.430 0.000 1.163 293 M CA 0.670 55.749 55.300 -0.368 0.000 1.186 293 M CB -1.104 31.125 32.600 -0.618 0.000 1.321 293 M HN 0.313 nan 8.290 nan 0.000 0.485 294 L N 1.316 122.259 121.223 -0.466 0.000 2.261 294 L HA -0.187 4.153 4.340 0.000 0.000 0.216 294 L C 2.459 179.274 176.870 -0.092 0.000 1.114 294 L CA 0.815 55.500 54.840 -0.258 0.000 0.777 294 L CB -1.211 40.705 42.059 -0.238 0.000 0.910 294 L HN 0.351 nan 8.230 nan 0.000 0.440 295 I N -1.774 118.730 120.570 -0.110 0.000 2.300 295 I HA -0.108 4.062 4.170 0.000 0.000 0.252 295 I C 1.144 177.240 176.117 -0.034 0.000 1.119 295 I CA 1.503 62.758 61.300 -0.074 0.000 1.384 295 I CB -0.445 37.496 38.000 -0.098 0.000 1.062 295 I HN 0.168 nan 8.210 nan 0.000 0.426 296 G N -0.216 108.590 108.800 0.010 0.000 2.664 296 G HA2 0.260 4.220 3.960 0.000 0.000 0.303 296 G HA3 0.260 4.220 3.960 0.000 0.000 0.303 296 G C -1.862 173.092 174.900 0.089 0.000 1.243 296 G CA -0.452 44.662 45.100 0.024 0.000 0.826 296 G HN 0.109 nan 8.290 nan 0.000 0.498 297 D N 1.458 121.847 120.400 -0.018 0.000 2.424 297 D HA 0.462 5.102 4.640 0.000 0.000 0.244 297 D C 0.253 176.463 176.300 -0.150 0.000 1.134 297 D CA 0.606 54.520 54.000 -0.144 0.000 0.881 297 D CB 0.425 41.122 40.800 -0.172 0.000 1.191 297 D HN 0.526 nan 8.370 nan 0.000 0.445 298 H N -0.367 118.552 119.070 -0.253 0.000 2.990 298 H HA 0.448 5.004 4.556 0.000 0.000 0.336 298 H C -1.322 173.855 175.328 -0.252 0.000 1.306 298 H CA -0.837 55.072 56.048 -0.231 0.000 1.118 298 H CB 0.351 30.100 29.762 -0.021 0.000 1.856 298 H HN 0.277 nan 8.280 nan 0.000 0.538 299 Y N 0.131 120.664 120.300 0.389 0.000 2.536 299 Y HA 0.371 4.921 4.550 0.000 0.000 0.347 299 Y C -0.179 176.035 175.900 0.524 0.000 1.000 299 Y CA -1.239 57.118 58.100 0.428 0.000 1.051 299 Y CB 1.812 40.383 38.460 0.185 0.000 1.259 299 Y HN 0.466 nan 8.280 nan 0.000 0.468 300 L N 3.021 124.640 121.223 0.659 0.000 2.313 300 L HA 0.324 4.664 4.340 0.000 0.000 0.282 300 L C 0.489 177.452 176.870 0.156 0.000 1.092 300 L CA -0.127 54.758 54.840 0.075 0.000 0.831 300 L CB 0.261 42.227 42.059 -0.154 0.000 1.159 300 L HN 1.014 nan 8.230 nan 0.000 0.442 301 C N 0.944 120.166 119.300 -0.130 0.000 3.188 301 C HA 0.566 5.026 4.460 0.000 0.000 0.315 301 C C 0.297 175.077 174.990 -0.349 0.000 1.285 301 C CA -0.164 58.694 59.018 -0.266 0.000 1.729 301 C CB -0.825 26.830 27.740 -0.142 0.000 2.257 301 C HN 0.863 nan 8.230 nan 0.000 0.645 302 D N -0.239 119.987 120.400 -0.291 0.000 2.837 302 D HA 0.598 5.238 4.640 0.000 0.000 0.220 302 D C -1.483 174.542 176.300 -0.459 0.000 1.236 302 D CA -0.153 53.704 54.000 -0.237 0.000 0.838 302 D CB 2.368 43.035 40.800 -0.222 0.000 1.647 302 D HN 0.039 nan 8.370 nan 0.000 0.486 303 V N 2.529 122.131 119.914 -0.521 0.000 2.483 303 V HA 0.661 4.781 4.120 0.000 0.000 0.297 303 V C -0.626 175.113 176.094 -0.592 0.000 1.027 303 V CA -0.521 61.236 62.300 -0.904 0.000 0.855 303 V CB 1.931 32.688 31.823 -1.777 0.000 0.995 303 V HN 0.734 nan 8.190 nan 0.000 0.424 304 T N 3.118 117.382 114.554 -0.484 0.000 3.050 304 T HA 0.329 4.680 4.350 0.000 0.000 0.310 304 T C -0.861 173.679 174.700 -0.266 0.000 0.978 304 T CA -0.458 61.508 62.100 -0.222 0.000 1.013 304 T CB 0.680 69.492 68.868 -0.094 0.000 1.000 304 T HN 0.523 nan 8.240 nan 0.000 0.447 305 W N 2.192 123.419 121.300 -0.122 0.000 2.251 305 W HA 0.459 5.120 4.660 0.000 0.000 0.327 305 W C 1.157 177.542 176.519 -0.223 0.000 1.361 305 W CA -0.272 57.001 57.345 -0.120 0.000 1.234 305 W CB 0.568 30.048 29.460 0.034 0.000 1.212 305 W HN 0.868 nan 8.180 nan 0.000 0.557 306 A N 2.269 124.968 122.820 -0.202 0.000 1.920 306 A HA 0.177 4.497 4.320 0.000 0.000 0.209 306 A C 0.924 178.470 177.584 -0.064 0.000 1.229 306 A CA 1.472 53.166 52.037 -0.572 0.000 0.671 306 A CB -0.384 17.818 19.000 -1.331 0.000 0.886 306 A HN 0.509 nan 8.150 nan 0.000 0.461 307 T N -5.004 109.615 114.554 0.108 0.000 2.669 307 T HA 0.369 4.719 4.350 0.000 0.000 0.283 307 T C 0.353 175.225 174.700 0.288 0.000 1.019 307 T CA -0.342 61.869 62.100 0.185 0.000 1.039 307 T CB 0.632 69.589 68.868 0.147 0.000 1.374 307 T HN 0.029 nan 8.240 nan 0.000 0.523 308 Q N 0.541 120.466 119.800 0.209 0.000 2.181 308 Q HA -0.054 4.287 4.340 0.000 0.000 0.205 308 Q C 0.942 177.133 176.000 0.318 0.000 0.980 308 Q CA 1.605 57.524 55.803 0.193 0.000 0.862 308 Q CB -0.274 28.558 28.738 0.157 0.000 0.905 308 Q HN 0.841 nan 8.270 nan 0.000 0.429 309 E N -0.028 120.360 120.200 0.314 0.000 2.758 309 E HA 0.218 4.568 4.350 0.000 0.000 0.215 309 E C -0.181 176.590 176.600 0.284 0.000 0.985 309 E CA -0.209 56.335 56.400 0.239 0.000 1.102 309 E CB 0.976 30.757 29.700 0.135 0.000 1.042 309 E HN 0.025 nan 8.360 nan 0.000 0.480 310 R N 1.560 122.319 120.500 0.432 0.000 2.574 310 R HA 0.582 4.923 4.340 0.000 0.000 0.288 310 R C -1.759 174.570 176.300 0.049 0.000 1.004 310 R CA -0.509 55.739 56.100 0.248 0.000 0.895 310 R CB 1.504 31.837 30.300 0.055 0.000 1.191 310 R HN 0.089 nan 8.270 nan 0.000 0.444 311 I N 2.644 123.064 120.570 -0.250 0.000 2.686 311 I HA 0.457 4.627 4.170 0.000 0.000 0.295 311 I C -1.217 174.569 176.117 -0.552 0.000 1.114 311 I CA -0.447 60.412 61.300 -0.736 0.000 1.038 311 I CB 2.373 39.411 38.000 -1.603 0.000 1.238 311 I HN 0.860 nan 8.210 nan 0.000 0.420 312 S N 7.167 122.522 115.700 -0.574 0.000 2.532 312 S HA 0.826 5.296 4.470 0.000 0.000 0.301 312 S C -1.243 173.018 174.600 -0.565 0.000 1.083 312 S CA -0.669 57.264 58.200 -0.444 0.000 1.025 312 S CB 1.894 64.919 63.200 -0.291 0.000 1.056 312 S HN 0.447 nan 8.310 nan 0.000 0.494 313 L N 2.029 122.939 121.223 -0.521 0.000 2.410 313 L HA 0.525 4.865 4.340 0.000 0.000 0.270 313 L C -0.410 176.127 176.870 -0.556 0.000 0.983 313 L CA -0.191 54.213 54.840 -0.726 0.000 0.822 313 L CB 1.973 43.527 42.059 -0.841 0.000 1.285 313 L HN 0.837 nan 8.230 nan 0.000 0.409 314 Q N 2.186 121.616 119.800 -0.617 0.000 2.316 314 Q HA 0.514 4.854 4.340 0.000 0.000 0.264 314 Q C -1.608 174.121 176.000 -0.451 0.000 0.987 314 Q CA -0.498 55.079 55.803 -0.378 0.000 0.852 314 Q CB 2.186 30.775 28.738 -0.248 0.000 1.287 314 Q HN 0.492 nan 8.270 nan 0.000 0.448 315 W N 2.379 123.636 121.300 -0.071 0.000 2.689 315 W HA 0.635 5.296 4.660 0.000 0.000 0.340 315 W C -0.785 175.771 176.519 0.062 0.000 1.060 315 W CA -0.537 56.813 57.345 0.008 0.000 1.218 315 W CB 1.320 30.756 29.460 -0.040 0.000 1.410 315 W HN 0.314 nan 8.180 nan 0.000 0.528 316 L N 3.139 124.595 121.223 0.389 0.000 2.409 316 L HA 0.513 4.853 4.340 0.000 0.000 0.272 316 L C 0.274 177.334 176.870 0.316 0.000 0.980 316 L CA -1.099 53.931 54.840 0.317 0.000 0.826 316 L CB 1.458 43.706 42.059 0.314 0.000 1.268 316 L HN 0.469 nan 8.230 nan 0.000 0.407 317 R N 1.989 122.633 120.500 0.241 0.000 2.784 317 R HA 0.061 4.401 4.340 0.000 0.000 0.266 317 R C 1.034 177.386 176.300 0.086 0.000 1.044 317 R CA 0.009 56.192 56.100 0.139 0.000 1.151 317 R CB 0.659 31.027 30.300 0.113 0.000 1.037 317 R HN 0.589 nan 8.270 nan 0.000 0.478 318 R N 1.514 121.972 120.500 -0.071 0.000 2.120 318 R HA -0.050 4.290 4.340 0.000 0.000 0.234 318 R C 0.279 176.625 176.300 0.075 0.000 1.123 318 R CA 1.048 57.099 56.100 -0.082 0.000 0.975 318 R CB 0.009 30.200 30.300 -0.182 0.000 0.866 318 R HN 0.467 nan 8.270 nan 0.000 0.446 319 I N 2.340 122.940 120.570 0.050 0.000 2.311 319 I HA 0.006 4.176 4.170 0.000 0.000 0.297 319 I C 0.409 176.585 176.117 0.099 0.000 1.131 319 I CA 0.301 61.637 61.300 0.060 0.000 1.289 319 I CB 1.285 39.307 38.000 0.037 0.000 1.446 319 I HN 0.073 nan 8.210 nan 0.000 0.524 320 Q N 4.589 124.447 119.800 0.097 0.000 2.292 320 Q HA -0.008 4.332 4.340 0.000 0.000 0.235 320 Q C 0.556 176.635 176.000 0.132 0.000 0.910 320 Q CA -0.033 55.844 55.803 0.123 0.000 0.952 320 Q CB -0.387 28.388 28.738 0.062 0.000 1.089 320 Q HN 0.683 nan 8.270 nan 0.000 0.431 321 N N -0.798 117.979 118.700 0.129 0.000 2.214 321 N HA -0.036 4.704 4.740 0.000 0.000 0.214 321 N C -1.038 174.565 175.510 0.155 0.000 1.132 321 N CA -0.159 52.954 53.050 0.105 0.000 0.856 321 N CB 0.271 38.796 38.487 0.063 0.000 1.020 321 N HN 0.174 nan 8.380 nan 0.000 0.509 322 Y N 0.845 121.168 120.300 0.039 0.000 2.361 322 Y HA 0.505 5.055 4.550 0.000 0.000 0.328 322 Y C -0.971 174.962 175.900 0.055 0.000 1.044 322 Y CA -0.840 57.281 58.100 0.036 0.000 1.085 322 Y CB 1.596 40.071 38.460 0.024 0.000 1.194 322 Y HN 0.160 nan 8.280 nan 0.000 0.438 323 S N 4.013 119.672 115.700 -0.068 0.000 2.569 323 S HA 0.925 5.395 4.470 0.000 0.000 0.280 323 S C -2.024 172.552 174.600 -0.039 0.000 1.111 323 S CA -0.677 57.542 58.200 0.032 0.000 0.887 323 S CB 1.946 65.159 63.200 0.023 0.000 1.095 323 S HN 0.418 nan 8.310 nan 0.000 0.476 324 V N 2.938 122.897 119.914 0.074 0.000 2.623 324 V HA 0.515 4.635 4.120 0.000 0.000 0.304 324 V C -0.545 175.603 176.094 0.090 0.000 1.054 324 V CA -0.621 61.717 62.300 0.064 0.000 0.882 324 V CB 1.788 33.669 31.823 0.096 0.000 1.002 324 V HN 1.038 nan 8.190 nan 0.000 0.424 325 M N 3.946 123.562 119.600 0.027 0.000 2.129 325 M HA 0.505 4.985 4.480 0.000 0.000 0.348 325 M C -1.123 175.192 176.300 0.025 0.000 1.116 325 M CA -0.207 55.080 55.300 -0.023 0.000 1.022 325 M CB 0.915 33.434 32.600 -0.134 0.000 1.599 325 M HN 0.653 nan 8.290 nan 0.000 0.449 326 D N 5.008 125.422 120.400 0.023 0.000 2.163 326 D HA 0.541 5.181 4.640 0.000 0.000 0.248 326 D C -1.194 175.074 176.300 -0.052 0.000 1.035 326 D CA -0.109 53.900 54.000 0.016 0.000 0.872 326 D CB 1.484 42.322 40.800 0.063 0.000 1.183 326 D HN 0.594 nan 8.370 nan 0.000 0.445 327 I N 2.385 122.945 120.570 -0.016 0.000 2.418 327 I HA 0.301 4.471 4.170 0.000 0.000 0.287 327 I C -0.683 175.430 176.117 -0.006 0.000 1.008 327 I CA -0.492 60.789 61.300 -0.031 0.000 1.104 327 I CB 1.504 39.537 38.000 0.055 0.000 1.264 327 I HN 0.225 nan 8.210 nan 0.000 0.438 328 c N 3.717 122.309 118.600 -0.014 0.000 2.369 328 c HA 0.488 5.058 4.570 0.000 0.000 0.322 328 c C -0.430 173.794 174.090 0.223 0.000 1.258 328 c CA -0.907 55.484 56.329 0.103 0.000 1.487 328 c CB 0.703 43.293 42.510 0.134 0.000 2.165 328 c HN 0.622 nan 8.230 nan 0.000 0.483 329 D N 0.963 121.437 120.400 0.123 0.000 2.210 329 D HA 0.307 4.948 4.640 0.000 0.000 0.249 329 D C -0.346 175.799 176.300 -0.259 0.000 1.078 329 D CA -0.083 53.926 54.000 0.014 0.000 0.875 329 D CB 0.564 41.344 40.800 -0.032 0.000 1.175 329 D HN 0.588 nan 8.370 nan 0.000 0.440 330 Y N 1.894 121.632 120.300 -0.935 0.000 2.511 330 Y HA 0.097 4.647 4.550 0.000 0.000 0.332 330 Y C -0.012 175.529 175.900 -0.597 0.000 1.177 330 Y CA 0.300 57.530 58.100 -1.450 0.000 1.422 330 Y CB 0.654 38.068 38.460 -1.744 0.000 1.271 330 Y HN 0.240 nan 8.280 nan 0.000 0.550 331 D N 5.938 125.572 120.400 -1.277 0.000 2.427 331 D HA 0.111 4.751 4.640 0.000 0.000 0.226 331 D C 0.339 176.083 176.300 -0.927 0.000 1.076 331 D CA -0.098 53.426 54.000 -0.794 0.000 0.849 331 D CB 0.980 41.491 40.800 -0.483 0.000 1.052 331 D HN 0.881 nan 8.370 nan 0.000 0.515 332 E N 1.081 120.995 120.200 -0.477 0.000 2.038 332 E HA -0.190 4.160 4.350 0.000 0.000 0.195 332 E C 1.775 178.305 176.600 -0.116 0.000 1.000 332 E CA 1.533 57.840 56.400 -0.154 0.000 0.803 332 E CB 0.175 29.903 29.700 0.046 0.000 0.750 332 E HN 0.515 nan 8.360 nan 0.000 0.448 333 S N -0.231 115.401 115.700 -0.113 0.000 2.507 333 S HA -0.012 4.458 4.470 0.000 0.000 0.235 333 S C 1.886 176.438 174.600 -0.081 0.000 0.988 333 S CA 0.996 59.156 58.200 -0.067 0.000 0.944 333 S CB 0.244 63.414 63.200 -0.051 0.000 0.762 333 S HN -0.017 nan 8.310 nan 0.000 0.526 334 S N 0.271 115.880 115.700 -0.152 0.000 2.506 334 S HA 0.514 4.985 4.470 0.000 0.000 0.230 334 S C 1.573 176.112 174.600 -0.102 0.000 1.066 334 S CA 0.304 58.428 58.200 -0.127 0.000 0.940 334 S CB 0.038 63.143 63.200 -0.158 0.000 0.818 334 S HN 1.005 nan 8.310 nan 0.000 0.518 335 G N 1.528 110.204 108.800 -0.206 0.000 2.175 335 G HA2 -0.213 3.747 3.960 0.000 0.000 0.244 335 G HA3 -0.213 3.747 3.960 0.000 0.000 0.244 335 G C 0.095 174.990 174.900 -0.008 0.000 0.982 335 G CA -0.102 44.987 45.100 -0.018 0.000 0.641 335 G HN 0.389 nan 8.290 nan 0.000 0.527 336 R N -1.546 118.812 120.500 -0.236 0.000 2.782 336 R HA 0.670 5.010 4.340 0.000 0.000 0.258 336 R C -0.823 175.299 176.300 -0.296 0.000 1.055 336 R CA -0.817 55.232 56.100 -0.085 0.000 1.065 336 R CB 0.812 31.093 30.300 -0.032 0.000 1.172 336 R HN 0.147 nan 8.270 nan 0.000 0.510 337 W N 0.546 121.841 121.300 -0.008 0.000 2.478 337 W HA 0.400 5.060 4.660 0.000 0.000 0.318 337 W C -0.438 176.051 176.519 -0.050 0.000 1.062 337 W CA -0.377 56.954 57.345 -0.022 0.000 1.210 337 W CB 1.146 30.612 29.460 0.011 0.000 1.325 337 W HN 0.223 nan 8.180 nan 0.000 0.496 338 N N 2.263 121.014 118.700 0.085 0.000 2.342 338 N HA 0.486 5.226 4.740 0.000 0.000 0.293 338 N C -1.589 173.951 175.510 0.049 0.000 1.026 338 N CA -0.518 52.550 53.050 0.031 0.000 0.857 338 N CB 1.453 39.917 38.487 -0.039 0.000 1.256 338 N HN 0.236 nan 8.380 nan 0.000 0.484 339 c N 2.978 121.594 118.600 0.027 0.000 2.321 339 c HA 0.476 5.046 4.570 0.000 0.000 0.323 339 c C 0.558 174.642 174.090 -0.009 0.000 1.191 339 c CA -1.137 55.199 56.329 0.013 0.000 1.455 339 c CB -0.905 41.608 42.510 0.005 0.000 2.083 339 c HN 0.539 nan 8.230 nan 0.000 0.442 340 L N 2.380 123.600 121.223 -0.007 0.000 2.439 340 L HA 0.184 4.524 4.340 0.000 0.000 0.269 340 L C 1.393 178.246 176.870 -0.028 0.000 1.179 340 L CA -0.080 54.750 54.840 -0.018 0.000 0.828 340 L CB 0.752 42.803 42.059 -0.012 0.000 1.106 340 L HN 0.616 nan 8.230 nan 0.000 0.467 341 V N 1.157 121.049 119.914 -0.037 0.000 2.871 341 V HA -0.142 3.978 4.120 0.000 0.000 0.256 341 V C 2.058 178.117 176.094 -0.058 0.000 1.082 341 V CA 1.514 63.786 62.300 -0.047 0.000 1.105 341 V CB -0.784 31.011 31.823 -0.047 0.000 0.713 341 V HN 0.970 nan 8.190 nan 0.000 0.473 342 A N 0.205 122.993 122.820 -0.053 0.000 2.067 342 A HA -0.020 4.300 4.320 0.000 0.000 0.217 342 A C 2.193 179.719 177.584 -0.097 0.000 1.156 342 A CA 0.655 52.651 52.037 -0.068 0.000 0.683 342 A CB -0.294 18.678 19.000 -0.047 0.000 0.808 342 A HN 0.466 nan 8.150 nan 0.000 0.455 343 R N 0.155 120.616 120.500 -0.065 0.000 2.335 343 R HA 0.109 4.450 4.340 0.000 0.000 0.223 343 R C -0.168 176.085 176.300 -0.078 0.000 0.940 343 R CA 0.006 56.082 56.100 -0.041 0.000 1.086 343 R CB 0.070 30.395 30.300 0.041 0.000 1.073 343 R HN 0.616 nan 8.270 nan 0.000 0.504 344 Q N 0.507 120.224 119.800 -0.139 0.000 2.293 344 Q HA 0.141 4.482 4.340 0.000 0.000 0.251 344 Q C -0.836 175.001 176.000 -0.272 0.000 0.930 344 Q CA 0.250 55.986 55.803 -0.111 0.000 0.893 344 Q CB 1.164 29.860 28.738 -0.070 0.000 1.215 344 Q HN 0.207 nan 8.270 nan 0.000 0.425 345 H N 0.955 120.012 119.070 -0.022 0.000 2.589 345 H HA 0.433 4.990 4.556 0.000 0.000 0.351 345 H C -0.816 174.471 175.328 -0.067 0.000 1.074 345 H CA -0.445 55.582 56.048 -0.034 0.000 1.203 345 H CB 1.233 30.947 29.762 -0.081 0.000 1.558 345 H HN 0.426 nan 8.280 nan 0.000 0.522 346 I N 2.411 122.998 120.570 0.029 0.000 2.330 346 I HA 0.165 4.335 4.170 0.000 0.000 0.289 346 I C -0.097 175.965 176.117 -0.091 0.000 1.001 346 I CA -0.210 61.031 61.300 -0.098 0.000 1.193 346 I CB 1.187 39.083 38.000 -0.174 0.000 1.345 346 I HN 0.546 nan 8.210 nan 0.000 0.461 347 E N 8.831 128.953 120.200 -0.130 0.000 2.092 347 E HA 0.530 4.880 4.350 0.000 0.000 0.271 347 E C -0.979 175.515 176.600 -0.176 0.000 0.919 347 E CA -0.663 55.681 56.400 -0.093 0.000 0.760 347 E CB 1.148 30.820 29.700 -0.046 0.000 1.106 347 E HN 0.607 nan 8.360 nan 0.000 0.408 348 M N 1.578 121.080 119.600 -0.164 0.000 2.593 348 M HA 0.574 5.054 4.480 0.000 0.000 0.290 348 M C -1.220 175.039 176.300 -0.067 0.000 1.244 348 M CA -0.829 54.373 55.300 -0.164 0.000 0.857 348 M CB 2.373 34.807 32.600 -0.275 0.000 1.738 348 M HN 0.224 nan 8.290 nan 0.000 0.461 349 S N -0.091 115.583 115.700 -0.044 0.000 2.521 349 S HA 0.568 5.038 4.470 0.000 0.000 0.295 349 S C 0.384 174.960 174.600 -0.041 0.000 1.098 349 S CA -0.010 58.156 58.200 -0.056 0.000 0.999 349 S CB 1.623 64.751 63.200 -0.120 0.000 1.034 349 S HN 0.911 nan 8.310 nan 0.000 0.483 350 T N 0.114 114.646 114.554 -0.036 0.000 3.044 350 T HA 0.059 4.409 4.350 0.000 0.000 0.250 350 T C 1.535 176.209 174.700 -0.045 0.000 1.081 350 T CA 0.888 62.974 62.100 -0.023 0.000 1.040 350 T CB -0.332 68.531 68.868 -0.008 0.000 0.962 350 T HN 0.684 nan 8.240 nan 0.000 0.506 351 T N -1.993 112.516 114.554 -0.075 0.000 3.023 351 T HA 0.593 4.943 4.350 0.000 0.000 0.249 351 T C 1.159 175.722 174.700 -0.227 0.000 1.050 351 T CA 0.453 62.507 62.100 -0.076 0.000 1.088 351 T CB 0.323 69.194 68.868 0.005 0.000 0.946 351 T HN 0.574 nan 8.240 nan 0.000 0.480 352 G N 0.267 108.760 108.800 -0.511 0.000 2.827 352 G HA2 0.496 4.456 3.960 0.000 0.000 0.202 352 G HA3 0.496 4.456 3.960 0.000 0.000 0.202 352 G C -1.542 173.056 174.900 -0.503 0.000 1.185 352 G CA -0.584 44.014 45.100 -0.837 0.000 0.920 352 G HN 0.512 nan 8.290 nan 0.000 0.550 353 W N -0.505 120.465 121.300 -0.550 0.000 2.225 353 W HA 0.769 5.429 4.660 0.000 0.000 0.377 353 W C -0.269 176.172 176.519 -0.129 0.000 1.418 353 W CA -1.345 55.847 57.345 -0.255 0.000 1.562 353 W CB 0.816 30.130 29.460 -0.243 0.000 1.297 353 W HN 0.398 nan 8.180 nan 0.000 0.686 354 V N 2.890 122.879 119.914 0.125 0.000 2.394 354 V HA 0.748 4.869 4.120 0.000 0.000 0.282 354 V C 0.405 176.580 176.094 0.135 0.000 1.031 354 V CA 0.527 62.858 62.300 0.052 0.000 0.881 354 V CB 0.236 32.084 31.823 0.041 0.000 0.982 354 V HN 1.603 nan 8.190 nan 0.000 0.451 355 G N 6.389 115.225 108.800 0.059 0.000 2.757 355 G HA2 -0.190 3.770 3.960 0.000 0.000 0.638 355 G HA3 -0.190 3.770 3.960 0.000 0.000 0.638 355 G C 0.246 175.227 174.900 0.136 0.000 1.344 355 G CA 0.225 45.381 45.100 0.093 0.000 0.855 355 G HN 0.837 nan 8.290 nan 0.000 0.537 356 R N -0.943 119.629 120.500 0.119 0.000 2.057 356 R HA 0.176 4.516 4.340 0.000 0.000 0.229 356 R C 1.945 178.205 176.300 -0.068 0.000 1.136 356 R CA 2.112 58.236 56.100 0.040 0.000 0.952 356 R CB -0.078 30.257 30.300 0.059 0.000 0.848 356 R HN 0.464 nan 8.270 nan 0.000 0.430 357 F N -0.844 119.238 119.950 0.220 0.000 2.831 357 F HA 0.261 4.788 4.527 0.000 0.000 0.334 357 F C 0.168 176.005 175.800 0.062 0.000 1.071 357 F CA -0.532 57.559 58.000 0.151 0.000 1.172 357 F CB 0.817 39.907 39.000 0.150 0.000 1.054 357 F HN -0.113 nan 8.300 nan 0.000 0.572 358 R N -1.209 119.427 120.500 0.227 0.000 2.709 358 R HA 0.426 4.766 4.340 0.000 0.000 0.270 358 R C -3.361 172.992 176.300 0.088 0.000 1.038 358 R CA -1.910 54.250 56.100 0.099 0.000 0.872 358 R CB 0.169 30.473 30.300 0.006 0.000 1.259 358 R HN -0.363 nan 8.270 nan 0.000 0.473 359 P HA -0.040 nan 4.420 nan 0.000 0.263 359 P C -0.404 176.909 177.300 0.021 0.000 1.175 359 P CA 0.249 63.362 63.100 0.022 0.000 0.761 359 P CB 0.756 32.446 31.700 -0.016 0.000 0.794 360 S N 1.890 117.615 115.700 0.042 0.000 2.585 360 S HA 0.082 4.553 4.470 0.000 0.000 0.273 360 S C 0.208 174.825 174.600 0.029 0.000 1.339 360 S CA -0.649 57.593 58.200 0.070 0.000 1.028 360 S CB 0.069 63.334 63.200 0.109 0.000 0.906 360 S HN 0.450 nan 8.310 nan 0.000 0.528 361 E N 4.246 124.480 120.200 0.057 0.000 2.338 361 E HA 0.283 4.633 4.350 0.000 0.000 0.272 361 E C -2.753 173.842 176.600 -0.009 0.000 1.029 361 E CA -1.890 54.503 56.400 -0.012 0.000 0.872 361 E CB 0.386 30.083 29.700 -0.005 0.000 1.015 361 E HN 0.237 nan 8.360 nan 0.000 0.417 362 P HA 0.245 nan 4.420 nan 0.000 0.281 362 P C -0.758 176.465 177.300 -0.128 0.000 1.249 362 P CA -0.320 62.706 63.100 -0.125 0.000 0.810 362 P CB 0.761 32.124 31.700 -0.562 0.000 1.008 363 H N 1.750 120.872 119.070 0.087 0.000 2.762 363 H HA 0.307 4.863 4.556 0.000 0.000 0.310 363 H C -0.542 174.928 175.328 0.236 0.000 1.004 363 H CA -0.294 55.882 56.048 0.214 0.000 1.267 363 H CB 0.399 30.291 29.762 0.217 0.000 1.437 363 H HN 0.309 nan 8.280 nan 0.000 0.498 364 F N 2.040 122.185 119.950 0.325 0.000 2.396 364 F HA 0.087 4.614 4.527 0.000 0.000 0.343 364 F C 1.381 177.370 175.800 0.316 0.000 1.104 364 F CA -0.498 57.696 58.000 0.325 0.000 1.161 364 F CB 1.135 40.265 39.000 0.216 0.000 1.146 364 F HN 0.358 nan 8.300 nan 0.000 0.522 365 T N 1.327 116.176 114.554 0.491 0.000 2.856 365 T HA 0.055 4.405 4.350 0.000 0.000 0.306 365 T C 1.216 176.111 174.700 0.325 0.000 1.062 365 T CA -0.810 61.519 62.100 0.381 0.000 1.083 365 T CB 0.742 69.825 68.868 0.359 0.000 0.984 365 T HN 0.551 nan 8.240 nan 0.000 0.542 366 L N 1.555 122.923 121.223 0.242 0.000 2.051 366 L HA -0.175 4.165 4.340 0.000 0.000 0.214 366 L C 2.285 179.268 176.870 0.188 0.000 1.076 366 L CA 2.388 57.346 54.840 0.196 0.000 0.758 366 L CB -1.081 41.069 42.059 0.151 0.000 0.890 366 L HN 0.944 nan 8.230 nan 0.000 0.433 367 D N -1.504 119.009 120.400 0.188 0.000 2.219 367 D HA -0.015 4.625 4.640 0.000 0.000 0.205 367 D C 1.705 178.117 176.300 0.186 0.000 0.970 367 D CA 1.074 55.174 54.000 0.166 0.000 0.851 367 D CB -0.616 40.271 40.800 0.146 0.000 0.943 367 D HN 0.449 nan 8.370 nan 0.000 0.488 368 G N 0.322 109.278 108.800 0.260 0.000 2.141 368 G HA2 -0.266 3.694 3.960 0.000 0.000 0.242 368 G HA3 -0.266 3.694 3.960 0.000 0.000 0.242 368 G C 0.677 175.785 174.900 0.346 0.000 0.982 368 G CA 0.242 45.520 45.100 0.296 0.000 0.662 368 G HN 0.358 nan 8.290 nan 0.000 0.527 369 N N 0.007 118.883 118.700 0.293 0.000 2.280 369 N HA 0.270 5.010 4.740 0.000 0.000 0.192 369 N C 0.273 175.900 175.510 0.195 0.000 1.109 369 N CA 0.928 54.114 53.050 0.226 0.000 0.855 369 N CB 0.914 39.489 38.487 0.145 0.000 0.974 369 N HN 0.357 nan 8.380 nan 0.000 0.482 370 S N -0.088 115.762 115.700 0.250 0.000 2.537 370 S HA 0.633 5.104 4.470 0.000 0.000 0.270 370 S C -1.860 172.754 174.600 0.024 0.000 1.142 370 S CA -0.763 57.437 58.200 0.001 0.000 0.870 370 S CB 0.820 63.998 63.200 -0.037 0.000 1.112 370 S HN 0.170 nan 8.310 nan 0.000 0.466 371 F N 0.750 120.463 119.950 -0.395 0.000 2.619 371 F HA 0.750 5.278 4.527 0.000 0.000 0.308 371 F C -1.940 173.675 175.800 -0.309 0.000 1.097 371 F CA -1.207 56.489 58.000 -0.506 0.000 0.953 371 F CB 0.682 38.883 39.000 -1.330 0.000 1.287 371 F HN 0.457 nan 8.300 nan 0.000 0.446 372 Y N 2.177 122.575 120.300 0.164 0.000 2.331 372 Y HA 0.570 5.120 4.550 0.000 0.000 0.338 372 Y C -0.149 175.901 175.900 0.250 0.000 0.992 372 Y CA -0.776 57.433 58.100 0.181 0.000 1.121 372 Y CB 1.734 40.267 38.460 0.122 0.000 1.184 372 Y HN 0.694 nan 8.280 nan 0.000 0.469 373 K N 2.588 123.211 120.400 0.372 0.000 2.502 373 K HA 0.609 4.929 4.320 0.000 0.000 0.257 373 K C -1.557 175.184 176.600 0.235 0.000 0.938 373 K CA -0.794 55.669 56.287 0.294 0.000 0.819 373 K CB 1.886 34.503 32.500 0.194 0.000 1.333 373 K HN 0.623 nan 8.250 nan 0.000 0.434 374 I N 4.109 124.789 120.570 0.183 0.000 2.452 374 I HA 0.186 4.356 4.170 0.000 0.000 0.287 374 I C 0.173 176.377 176.117 0.145 0.000 1.079 374 I CA -0.319 61.066 61.300 0.142 0.000 1.387 374 I CB 0.159 38.223 38.000 0.106 0.000 1.404 374 I HN 0.555 nan 8.210 nan 0.000 0.522 375 I N 1.940 122.622 120.570 0.186 0.000 2.934 375 I HA 0.483 4.653 4.170 0.000 0.000 0.306 375 I C -0.102 176.125 176.117 0.183 0.000 1.110 375 I CA -0.867 60.541 61.300 0.179 0.000 1.019 375 I CB 2.046 40.173 38.000 0.210 0.000 1.227 375 I HN 0.343 nan 8.210 nan 0.000 0.434 376 S N 3.088 118.836 115.700 0.080 0.000 2.465 376 S HA 0.167 4.637 4.470 0.000 0.000 0.280 376 S C 0.088 174.715 174.600 0.045 0.000 1.232 376 S CA -0.498 57.695 58.200 -0.012 0.000 1.066 376 S CB -0.517 62.623 63.200 -0.100 0.000 0.929 376 S HN 0.822 nan 8.310 nan 0.000 0.494 377 N N 4.087 122.722 118.700 -0.107 0.000 2.322 377 N HA 0.067 4.808 4.740 0.000 0.000 0.270 377 N C 1.350 176.754 175.510 -0.178 0.000 1.286 377 N CA -0.021 52.833 53.050 -0.327 0.000 0.948 377 N CB 0.033 37.866 38.487 -1.090 0.000 1.164 377 N HN 0.686 nan 8.380 nan 0.000 0.551 378 E N -0.387 119.700 120.200 -0.188 0.000 2.118 378 E HA -0.295 4.055 4.350 0.000 0.000 0.195 378 E C 0.431 176.965 176.600 -0.109 0.000 0.992 378 E CA 1.799 58.136 56.400 -0.104 0.000 0.804 378 E CB -0.588 29.060 29.700 -0.087 0.000 0.741 378 E HN 0.925 nan 8.360 nan 0.000 0.458 379 E N 0.066 120.191 120.200 -0.124 0.000 2.394 379 E HA 0.291 4.641 4.350 0.000 0.000 0.191 379 E C 0.910 177.427 176.600 -0.137 0.000 1.044 379 E CA 0.258 56.612 56.400 -0.077 0.000 0.939 379 E CB 0.215 29.911 29.700 -0.006 0.000 1.089 379 E HN 0.328 nan 8.360 nan 0.000 0.456 380 G N 0.550 109.225 108.800 -0.207 0.000 2.205 380 G HA2 -0.329 3.631 3.960 0.000 0.000 0.261 380 G HA3 -0.329 3.631 3.960 0.000 0.000 0.261 380 G C -0.218 174.405 174.900 -0.461 0.000 0.980 380 G CA 0.311 45.199 45.100 -0.353 0.000 0.632 380 G HN 0.390 nan 8.290 nan 0.000 0.533 381 Y N 0.789 120.948 120.300 -0.236 0.000 2.299 381 Y HA 0.592 5.142 4.550 0.000 0.000 0.326 381 Y C 1.348 177.076 175.900 -0.287 0.000 1.164 381 Y CA -0.581 57.363 58.100 -0.261 0.000 1.234 381 Y CB 0.782 39.105 38.460 -0.228 0.000 1.219 381 Y HN 0.042 nan 8.280 nan 0.000 0.497 382 R N 3.783 124.146 120.500 -0.228 0.000 2.210 382 R HA 0.276 4.616 4.340 0.000 0.000 0.338 382 R C -0.881 175.130 176.300 -0.481 0.000 1.062 382 R CA -0.225 55.736 56.100 -0.231 0.000 0.902 382 R CB 0.160 30.372 30.300 -0.147 0.000 1.050 382 R HN 0.666 nan 8.270 nan 0.000 0.461 383 H N 1.897 120.924 119.070 -0.071 0.000 2.946 383 H HA 0.327 4.883 4.556 0.000 0.000 0.365 383 H C -0.109 175.281 175.328 0.104 0.000 1.197 383 H CA -0.952 55.035 56.048 -0.102 0.000 1.131 383 H CB 1.800 31.392 29.762 -0.284 0.000 1.849 383 H HN 0.327 nan 8.280 nan 0.000 0.555 384 I N 1.436 122.079 120.570 0.121 0.000 2.452 384 I HA 0.014 4.184 4.170 0.000 0.000 0.287 384 I C 0.500 176.636 176.117 0.032 0.000 1.079 384 I CA 0.178 61.515 61.300 0.062 0.000 1.387 384 I CB 0.227 38.187 38.000 -0.067 0.000 1.404 384 I HN 0.161 nan 8.210 nan 0.000 0.522 385 c N 6.728 125.269 118.600 -0.098 0.000 2.366 385 c HA 0.347 4.918 4.570 0.000 0.000 0.345 385 c C -0.226 173.653 174.090 -0.352 0.000 1.209 385 c CA -0.558 55.467 56.329 -0.507 0.000 2.050 385 c CB 0.747 42.689 42.510 -0.946 0.000 2.359 385 c HN 0.698 nan 8.230 nan 0.000 0.527 386 Y N 4.010 123.900 120.300 -0.682 0.000 2.385 386 Y HA 0.567 5.117 4.550 0.000 0.000 0.341 386 Y C -0.841 174.553 175.900 -0.842 0.000 0.965 386 Y CA -0.584 57.067 58.100 -0.748 0.000 1.180 386 Y CB 0.259 38.389 38.460 -0.550 0.000 1.139 386 Y HN 0.651 nan 8.280 nan 0.000 0.502 387 F N 4.089 123.313 119.950 -1.209 0.000 2.422 387 F HA 0.366 4.893 4.527 0.000 0.000 0.333 387 F C -0.017 175.043 175.800 -1.234 0.000 1.095 387 F CA -0.724 56.535 58.000 -1.234 0.000 1.038 387 F CB 1.296 39.206 39.000 -1.816 0.000 1.156 387 F HN 0.370 nan 8.300 nan 0.000 0.483 388 Q N 2.773 122.230 119.800 -0.571 0.000 2.235 388 Q HA 0.278 4.618 4.340 0.000 0.000 0.250 388 Q C 1.151 177.117 176.000 -0.058 0.000 0.909 388 Q CA -0.405 55.190 55.803 -0.346 0.000 0.910 388 Q CB 1.868 30.468 28.738 -0.230 0.000 1.223 388 Q HN 0.642 nan 8.270 nan 0.000 0.432 389 I N 1.410 122.017 120.570 0.061 0.000 2.335 389 I HA -0.260 3.910 4.170 0.000 0.000 0.251 389 I C 1.056 177.305 176.117 0.221 0.000 1.129 389 I CA 1.569 63.038 61.300 0.281 0.000 1.402 389 I CB -0.222 37.938 38.000 0.266 0.000 1.069 389 I HN 0.579 nan 8.210 nan 0.000 0.424 390 D N 0.549 121.006 120.400 0.095 0.000 2.320 390 D HA -0.018 4.622 4.640 0.000 0.000 0.228 390 D C 1.118 177.415 176.300 -0.004 0.000 0.978 390 D CA 0.246 54.267 54.000 0.036 0.000 0.905 390 D CB 0.137 40.949 40.800 0.019 0.000 1.051 390 D HN 0.402 nan 8.370 nan 0.000 0.471 391 K N 1.349 121.744 120.400 -0.009 0.000 2.180 391 K HA 0.154 4.474 4.320 0.000 0.000 0.251 391 K C 0.601 177.202 176.600 0.001 0.000 1.014 391 K CA -0.160 56.111 56.287 -0.028 0.000 0.913 391 K CB 1.696 34.166 32.500 -0.049 0.000 1.008 391 K HN -0.257 nan 8.250 nan 0.000 0.490 392 K N 0.201 120.588 120.400 -0.021 0.000 2.167 392 K HA 0.041 4.362 4.320 0.000 0.000 0.214 392 K C -0.365 176.279 176.600 0.072 0.000 1.024 392 K CA 0.273 56.576 56.287 0.026 0.000 0.951 392 K CB -0.001 32.477 32.500 -0.037 0.000 0.907 392 K HN 0.636 nan 8.250 nan 0.000 0.459 393 D N 2.110 122.491 120.400 -0.031 0.000 2.793 393 D HA -0.089 4.551 4.640 0.000 0.000 0.230 393 D C 0.241 176.377 176.300 -0.274 0.000 1.139 393 D CA 0.397 54.325 54.000 -0.119 0.000 0.838 393 D CB 0.035 40.775 40.800 -0.101 0.000 1.149 393 D HN 0.285 nan 8.370 nan 0.000 0.526 394 c N 1.483 119.768 118.600 -0.525 0.000 2.478 394 c HA 0.785 5.355 4.570 0.000 0.000 0.379 394 c C 0.658 174.390 174.090 -0.596 0.000 1.470 394 c CA -0.730 55.082 56.329 -0.862 0.000 2.066 394 c CB 1.298 42.676 42.510 -1.886 0.000 2.001 394 c HN 0.564 nan 8.230 nan 0.000 0.550 395 T N 0.075 114.290 114.554 -0.565 0.000 2.879 395 T HA 0.544 4.894 4.350 0.000 0.000 0.290 395 T C -1.135 173.339 174.700 -0.376 0.000 0.993 395 T CA -0.251 61.652 62.100 -0.328 0.000 0.975 395 T CB 0.120 68.929 68.868 -0.099 0.000 0.981 395 T HN 0.463 nan 8.240 nan 0.000 0.439 396 F N 5.612 125.437 119.950 -0.208 0.000 2.541 396 F HA 0.246 4.773 4.527 0.000 0.000 0.378 396 F C 1.752 177.391 175.800 -0.269 0.000 1.068 396 F CA -0.581 57.283 58.000 -0.227 0.000 1.199 396 F CB 0.426 39.295 39.000 -0.219 0.000 1.091 396 F HN 0.623 nan 8.300 nan 0.000 0.555 397 I N -0.093 120.357 120.570 -0.201 0.000 3.226 397 I HA 0.108 4.278 4.170 0.000 0.000 0.277 397 I C 0.431 176.386 176.117 -0.270 0.000 1.243 397 I CA 0.384 61.382 61.300 -0.503 0.000 1.459 397 I CB -0.194 37.304 38.000 -0.838 0.000 1.093 397 I HN 0.486 nan 8.210 nan 0.000 0.453 398 T N 0.173 114.622 114.554 -0.173 0.000 2.906 398 T HA 0.653 5.003 4.350 0.000 0.000 0.295 398 T C -0.632 173.676 174.700 -0.653 0.000 1.061 398 T CA -0.801 61.157 62.100 -0.237 0.000 1.000 398 T CB 2.578 71.374 68.868 -0.120 0.000 1.103 398 T HN 0.490 nan 8.240 nan 0.000 0.486 399 K N 0.084 119.965 120.400 -0.864 0.000 2.499 399 K HA 0.853 5.173 4.320 0.000 0.000 0.277 399 K C -0.339 175.611 176.600 -1.084 0.000 1.025 399 K CA -0.890 54.632 56.287 -1.274 0.000 0.900 399 K CB 1.544 33.654 32.500 -0.649 0.000 1.494 399 K HN 1.558 nan 8.250 nan 0.000 0.442 400 G N -0.167 108.081 108.800 -0.920 0.000 2.355 400 G HA2 0.019 3.979 3.960 0.000 0.000 0.619 400 G HA3 0.019 3.979 3.960 0.000 0.000 0.619 400 G C -0.640 173.739 174.900 -0.869 0.000 1.337 400 G CA -0.362 44.363 45.100 -0.625 0.000 0.993 400 G HN 0.993 nan 8.290 nan 0.000 0.599 401 T N -0.395 113.785 114.554 -0.624 0.000 4.309 401 T HA 0.549 4.899 4.350 0.000 0.000 0.242 401 T C 0.309 174.724 174.700 -0.475 0.000 1.142 401 T CA 0.747 62.249 62.100 -0.997 0.000 1.042 401 T CB -0.978 67.624 68.868 -0.443 0.000 1.366 401 T HN 1.595 nan 8.240 nan 0.000 0.942 402 W N -0.321 120.645 121.300 -0.556 0.000 2.826 402 W HA 0.636 5.296 4.660 0.000 0.000 0.410 402 W C -1.532 174.920 176.519 -0.111 0.000 1.128 402 W CA -0.962 56.283 57.345 -0.167 0.000 1.176 402 W CB 0.620 30.012 29.460 -0.114 0.000 1.475 402 W HN 0.163 nan 8.180 nan 0.000 0.588 403 E N 0.922 121.264 120.200 0.236 0.000 2.314 403 E HA 0.417 4.767 4.350 0.000 0.000 0.272 403 E C -1.083 175.596 176.600 0.132 0.000 0.884 403 E CA -1.081 55.265 56.400 -0.090 0.000 0.753 403 E CB 3.466 33.195 29.700 0.048 0.000 1.213 403 E HN 0.177 nan 8.360 nan 0.000 0.432 404 V N 3.908 123.757 119.914 -0.108 0.000 2.555 404 V HA 0.007 4.127 4.120 0.000 0.000 0.286 404 V C 1.271 177.448 176.094 0.139 0.000 1.044 404 V CA 0.036 62.395 62.300 0.098 0.000 1.026 404 V CB 0.482 32.264 31.823 -0.068 0.000 0.981 404 V HN 0.684 nan 8.190 nan 0.000 0.480 405 I N 2.861 123.553 120.570 0.203 0.000 2.703 405 I HA 0.295 4.466 4.170 0.000 0.000 0.259 405 I C 1.085 177.329 176.117 0.211 0.000 1.151 405 I CA 0.995 62.421 61.300 0.210 0.000 1.470 405 I CB -0.619 37.451 38.000 0.116 0.000 1.112 405 I HN 0.778 nan 8.210 nan 0.000 0.437 406 G N 1.214 110.135 108.800 0.202 0.000 2.658 406 G HA2 0.439 4.399 3.960 0.000 0.000 0.301 406 G HA3 0.439 4.399 3.960 0.000 0.000 0.301 406 G C -1.098 173.905 174.900 0.172 0.000 1.481 406 G CA -0.614 44.603 45.100 0.194 0.000 0.931 406 G HN -0.036 nan 8.290 nan 0.000 0.573 407 I N 2.221 122.837 120.570 0.076 0.000 2.396 407 I HA 0.196 4.366 4.170 0.000 0.000 0.289 407 I C 0.899 176.932 176.117 -0.140 0.000 1.056 407 I CA -0.394 60.842 61.300 -0.108 0.000 1.365 407 I CB 1.373 39.109 38.000 -0.441 0.000 1.407 407 I HN 0.527 nan 8.210 nan 0.000 0.509 408 E N 4.926 125.127 120.200 0.002 0.000 2.175 408 E HA 0.276 4.627 4.350 0.000 0.000 0.195 408 E C 0.341 176.921 176.600 -0.033 0.000 0.934 408 E CA 0.403 56.866 56.400 0.105 0.000 0.870 408 E CB 0.335 30.206 29.700 0.284 0.000 0.838 408 E HN 0.666 nan 8.360 nan 0.000 0.474 409 A N 0.705 123.403 122.820 -0.203 0.000 2.479 409 A HA 0.690 5.010 4.320 0.000 0.000 0.296 409 A C -1.579 175.936 177.584 -0.116 0.000 1.121 409 A CA -0.551 51.272 52.037 -0.357 0.000 0.743 409 A CB 1.538 19.823 19.000 -1.191 0.000 1.323 409 A HN 0.073 nan 8.150 nan 0.000 0.415 410 L N 1.205 122.396 121.223 -0.053 0.000 2.528 410 L HA 0.636 4.976 4.340 0.000 0.000 0.267 410 L C 0.026 176.922 176.870 0.044 0.000 0.961 410 L CA 0.284 55.123 54.840 -0.002 0.000 0.866 410 L CB 1.846 43.937 42.059 0.053 0.000 1.248 410 L HN 1.009 nan 8.230 nan 0.000 0.404 411 T N -0.298 114.294 114.554 0.064 0.000 2.949 411 T HA 0.414 4.764 4.350 0.000 0.000 0.287 411 T C 0.943 175.679 174.700 0.060 0.000 1.034 411 T CA -0.029 62.122 62.100 0.084 0.000 1.018 411 T CB 1.417 70.367 68.868 0.136 0.000 1.135 411 T HN 0.647 nan 8.240 nan 0.000 0.532 412 S N -0.856 114.883 115.700 0.064 0.000 2.803 412 S HA 0.024 4.494 4.470 0.000 0.000 0.226 412 S C 0.378 174.968 174.600 -0.015 0.000 0.962 412 S CA 0.353 58.580 58.200 0.045 0.000 0.968 412 S CB -0.582 62.654 63.200 0.060 0.000 0.786 412 S HN 0.728 nan 8.310 nan 0.000 0.527 413 D N -1.312 119.060 120.400 -0.047 0.000 2.409 413 D HA 0.214 4.854 4.640 0.000 0.000 0.301 413 D C -0.678 175.343 176.300 -0.464 0.000 1.095 413 D CA 0.354 54.225 54.000 -0.216 0.000 0.929 413 D CB 0.616 41.351 40.800 -0.109 0.000 1.623 413 D HN 0.386 nan 8.370 nan 0.000 0.506 414 Y N 0.525 120.748 120.300 -0.128 0.000 2.570 414 Y HA 0.452 5.002 4.550 0.000 0.000 0.345 414 Y C -0.450 175.238 175.900 -0.354 0.000 1.014 414 Y CA -0.996 56.929 58.100 -0.291 0.000 1.063 414 Y CB 2.306 40.467 38.460 -0.498 0.000 1.272 414 Y HN -0.185 nan 8.280 nan 0.000 0.477 415 L N 2.693 123.766 121.223 -0.252 0.000 2.341 415 L HA 0.506 4.846 4.340 0.000 0.000 0.278 415 L C -1.969 174.720 176.870 -0.302 0.000 1.005 415 L CA -0.807 53.867 54.840 -0.276 0.000 0.818 415 L CB 0.958 42.813 42.059 -0.340 0.000 1.259 415 L HN 0.681 nan 8.230 nan 0.000 0.418 416 Y N 5.817 126.065 120.300 -0.088 0.000 2.328 416 Y HA 0.507 5.058 4.550 0.000 0.000 0.337 416 Y C -0.248 175.670 175.900 0.029 0.000 0.966 416 Y CA -0.514 57.538 58.100 -0.081 0.000 1.136 416 Y CB 1.399 39.745 38.460 -0.189 0.000 1.170 416 Y HN 0.551 nan 8.280 nan 0.000 0.470 417 Y N 0.498 120.863 120.300 0.109 0.000 2.609 417 Y HA 0.858 5.408 4.550 0.000 0.000 0.342 417 Y C -1.682 174.301 175.900 0.140 0.000 1.058 417 Y CA -2.038 56.116 58.100 0.090 0.000 1.055 417 Y CB 1.259 39.748 38.460 0.048 0.000 1.292 417 Y HN 0.419 nan 8.280 nan 0.000 0.476 418 I N 2.914 123.646 120.570 0.271 0.000 2.441 418 I HA 0.618 4.788 4.170 0.000 0.000 0.295 418 I C -0.423 175.862 176.117 0.280 0.000 0.994 418 I CA -0.319 61.088 61.300 0.178 0.000 1.144 418 I CB 1.937 39.999 38.000 0.103 0.000 1.314 418 I HN 0.877 nan 8.210 nan 0.000 0.445 419 S N 3.187 119.009 115.700 0.203 0.000 2.651 419 S HA 0.442 4.913 4.470 0.000 0.000 0.279 419 S C -0.538 174.092 174.600 0.051 0.000 1.148 419 S CA -0.885 57.416 58.200 0.168 0.000 0.837 419 S CB 1.651 64.947 63.200 0.160 0.000 1.138 419 S HN 0.623 nan 8.310 nan 0.000 0.478 420 N N -0.317 118.416 118.700 0.056 0.000 2.380 420 N HA 0.158 4.898 4.740 0.000 0.000 0.255 420 N C 0.468 175.938 175.510 -0.067 0.000 1.158 420 N CA -0.388 52.655 53.050 -0.013 0.000 0.878 420 N CB 0.324 38.796 38.487 -0.026 0.000 1.138 420 N HN 0.808 nan 8.380 nan 0.000 0.509 421 E N -0.004 120.016 120.200 -0.299 0.000 2.072 421 E HA -0.130 4.220 4.350 0.000 0.000 0.190 421 E C -0.415 176.049 176.600 -0.228 0.000 0.982 421 E CA 0.049 56.066 56.400 -0.638 0.000 0.803 421 E CB -0.058 28.635 29.700 -1.679 0.000 0.755 421 E HN 0.500 nan 8.360 nan 0.000 0.453 422 Y N 1.946 122.157 120.300 -0.148 0.000 2.852 422 Y HA -0.186 4.364 4.550 0.000 0.000 0.343 422 Y C 0.351 176.209 175.900 -0.071 0.000 1.280 422 Y CA 0.947 59.005 58.100 -0.072 0.000 1.604 422 Y CB 0.126 38.564 38.460 -0.037 0.000 1.216 422 Y HN 0.099 nan 8.280 nan 0.000 0.541 423 K N 3.249 123.390 120.400 -0.432 0.000 3.274 423 K HA -0.251 4.069 4.320 0.000 0.000 0.300 423 K C 0.736 177.274 176.600 -0.104 0.000 1.230 423 K CA 0.722 56.821 56.287 -0.313 0.000 0.884 423 K CB -1.837 30.453 32.500 -0.351 0.000 1.242 423 K HN 1.214 nan 8.250 nan 0.000 0.467 424 G N 0.703 109.446 108.800 -0.094 0.000 2.249 424 G HA2 -0.324 3.636 3.960 0.000 0.000 0.273 424 G HA3 -0.324 3.636 3.960 0.000 0.000 0.273 424 G C -0.039 174.831 174.900 -0.050 0.000 1.036 424 G CA 0.781 45.864 45.100 -0.028 0.000 0.824 424 G HN 0.305 nan 8.290 nan 0.000 0.504 425 M N -0.086 119.402 119.600 -0.188 0.000 2.047 425 M HA 0.278 4.758 4.480 0.000 0.000 0.342 425 M C -1.405 174.620 176.300 -0.458 0.000 1.058 425 M CA -2.104 52.885 55.300 -0.519 0.000 0.991 425 M CB 1.886 34.257 32.600 -0.382 0.000 1.474 425 M HN -0.140 nan 8.290 nan 0.000 0.419 426 P HA -0.065 nan 4.420 nan 0.000 0.222 426 P C 1.145 178.287 177.300 -0.263 0.000 1.147 426 P CA 0.958 63.872 63.100 -0.310 0.000 0.790 426 P CB 0.200 31.725 31.700 -0.292 0.000 0.780 427 G N -0.988 107.593 108.800 -0.364 0.000 3.314 427 G HA2 0.308 4.269 3.960 0.000 0.000 0.238 427 G HA3 0.308 4.269 3.960 0.000 0.000 0.238 427 G C 0.564 175.436 174.900 -0.047 0.000 1.184 427 G CA -0.012 44.998 45.100 -0.150 0.000 0.806 427 G HN 0.361 nan 8.290 nan 0.000 0.536 428 G N -0.072 108.647 108.800 -0.135 0.000 2.441 428 G HA2 0.643 4.604 3.960 0.000 0.000 0.334 428 G HA3 0.643 4.604 3.960 0.000 0.000 0.334 428 G C -0.781 173.983 174.900 -0.227 0.000 1.161 428 G CA -0.753 44.295 45.100 -0.088 0.000 0.935 428 G HN 0.086 nan 8.290 nan 0.000 0.488 429 R N 0.630 120.955 120.500 -0.291 0.000 2.574 429 R HA 0.422 4.762 4.340 0.000 0.000 0.288 429 R C -1.286 174.983 176.300 -0.051 0.000 1.004 429 R CA -0.844 55.073 56.100 -0.305 0.000 0.895 429 R CB 2.056 31.930 30.300 -0.710 0.000 1.191 429 R HN 0.681 nan 8.270 nan 0.000 0.444 430 N N 0.551 119.245 118.700 -0.010 0.000 2.277 430 N HA 0.343 5.083 4.740 0.000 0.000 0.286 430 N C -1.517 173.897 175.510 -0.160 0.000 1.140 430 N CA -0.794 52.178 53.050 -0.131 0.000 0.799 430 N CB 2.173 40.474 38.487 -0.311 0.000 1.596 430 N HN 0.281 nan 8.380 nan 0.000 0.473 431 L N 2.510 123.501 121.223 -0.385 0.000 2.278 431 L HA 0.453 4.794 4.340 0.000 0.000 0.287 431 L C -1.543 175.014 176.870 -0.523 0.000 1.072 431 L CA 0.064 54.700 54.840 -0.340 0.000 0.819 431 L CB -0.379 41.454 42.059 -0.376 0.000 1.176 431 L HN 0.502 nan 8.230 nan 0.000 0.435 432 Y N 4.104 124.054 120.300 -0.583 0.000 2.446 432 Y HA 0.484 5.034 4.550 0.000 0.000 0.338 432 Y C -0.079 175.482 175.900 -0.565 0.000 1.055 432 Y CA -0.704 56.992 58.100 -0.674 0.000 1.101 432 Y CB 1.597 39.438 38.460 -1.031 0.000 1.221 432 Y HN 0.503 nan 8.280 nan 0.000 0.460 433 K N 4.270 124.520 120.400 -0.250 0.000 2.358 433 K HA 0.584 4.904 4.320 0.000 0.000 0.260 433 K C -1.831 174.705 176.600 -0.107 0.000 0.956 433 K CA -0.548 55.546 56.287 -0.322 0.000 0.834 433 K CB 1.245 33.479 32.500 -0.443 0.000 1.102 433 K HN 0.832 nan 8.250 nan 0.000 0.431 434 I N 3.436 124.002 120.570 -0.005 0.000 2.378 434 I HA 0.188 4.359 4.170 0.000 0.000 0.291 434 I C -0.642 175.562 176.117 0.145 0.000 0.992 434 I CA -0.679 60.705 61.300 0.141 0.000 1.154 434 I CB 1.676 39.807 38.000 0.219 0.000 1.315 434 I HN 0.787 nan 8.210 nan 0.000 0.448 435 Q N 5.223 125.113 119.800 0.151 0.000 2.286 435 Q HA 0.117 4.457 4.340 0.000 0.000 0.267 435 Q C 0.157 176.103 176.000 -0.090 0.000 1.028 435 Q CA -0.409 55.326 55.803 -0.113 0.000 0.901 435 Q CB 1.209 29.888 28.738 -0.098 0.000 1.183 435 Q HN 0.751 nan 8.270 nan 0.000 0.392 436 L N 2.850 123.945 121.223 -0.213 0.000 2.551 436 L HA -0.087 4.253 4.340 0.000 0.000 0.228 436 L C 1.801 178.529 176.870 -0.236 0.000 1.153 436 L CA 1.224 56.003 54.840 -0.102 0.000 0.851 436 L CB -0.254 41.730 42.059 -0.126 0.000 0.959 436 L HN 0.689 nan 8.230 nan 0.000 0.451 437 S N -3.356 112.182 115.700 -0.272 0.000 2.503 437 S HA 0.134 4.604 4.470 0.000 0.000 0.215 437 S C 0.505 174.927 174.600 -0.296 0.000 1.003 437 S CA -0.232 57.808 58.200 -0.267 0.000 0.910 437 S CB 0.424 63.501 63.200 -0.206 0.000 0.790 437 S HN 0.312 nan 8.310 nan 0.000 0.514 438 D N -0.317 119.920 120.400 -0.271 0.000 2.452 438 D HA 0.238 4.878 4.640 0.000 0.000 0.226 438 D C -0.731 175.532 176.300 -0.061 0.000 1.366 438 D CA -0.435 53.438 54.000 -0.212 0.000 0.986 438 D CB 0.684 41.418 40.800 -0.109 0.000 1.420 438 D HN -0.070 nan 8.370 nan 0.000 0.583 439 Y N 0.992 121.268 120.300 -0.040 0.000 2.509 439 Y HA -0.095 4.455 4.550 0.000 0.000 0.293 439 Y C 2.562 178.469 175.900 0.013 0.000 1.133 439 Y CA 1.392 59.482 58.100 -0.018 0.000 1.283 439 Y CB -0.639 37.807 38.460 -0.022 0.000 1.001 439 Y HN 0.417 nan 8.280 nan 0.000 0.555 440 T N -2.574 112.067 114.554 0.145 0.000 3.055 440 T HA -0.038 4.312 4.350 0.000 0.000 0.265 440 T C 0.825 175.579 174.700 0.089 0.000 1.111 440 T CA 0.254 62.414 62.100 0.099 0.000 1.118 440 T CB -0.240 68.662 68.868 0.057 0.000 0.909 440 T HN 0.098 nan 8.240 nan 0.000 0.501 441 K N 2.306 122.758 120.400 0.087 0.000 2.142 441 K HA 0.419 4.739 4.320 0.000 0.000 0.250 441 K C -1.150 175.519 176.600 0.115 0.000 1.148 441 K CA -0.313 56.024 56.287 0.083 0.000 1.040 441 K CB 0.533 33.072 32.500 0.065 0.000 1.569 441 K HN 0.177 nan 8.250 nan 0.000 0.361 442 V N 2.036 122.019 119.914 0.115 0.000 2.384 442 V HA 0.217 4.337 4.120 0.000 0.000 0.287 442 V C 0.061 176.201 176.094 0.078 0.000 1.020 442 V CA -0.834 61.546 62.300 0.133 0.000 0.850 442 V CB 1.568 33.512 31.823 0.203 0.000 0.987 442 V HN 0.483 nan 8.190 nan 0.000 0.436 443 T N 3.504 118.063 114.554 0.009 0.000 2.758 443 T HA 0.240 4.590 4.350 0.000 0.000 0.285 443 T C -0.162 174.415 174.700 -0.204 0.000 0.981 443 T CA -0.263 61.786 62.100 -0.084 0.000 0.965 443 T CB 1.158 69.954 68.868 -0.120 0.000 0.927 443 T HN 0.791 nan 8.240 nan 0.000 0.448 444 C N 5.089 124.189 119.300 -0.334 0.000 2.576 444 C HA 0.370 4.831 4.460 0.000 0.000 0.401 444 C C 1.679 176.325 174.990 -0.574 0.000 1.314 444 C CA -0.490 58.072 59.018 -0.760 0.000 1.855 444 C CB -1.744 25.384 27.740 -1.019 0.000 2.537 444 C HN 0.997 nan 8.230 nan 0.000 0.578 445 L N 4.518 125.383 121.223 -0.597 0.000 2.416 445 L HA 0.078 4.418 4.340 0.000 0.000 0.216 445 L C 2.261 178.802 176.870 -0.549 0.000 1.098 445 L CA 0.972 55.538 54.840 -0.457 0.000 0.840 445 L CB -0.195 41.635 42.059 -0.382 0.000 0.981 445 L HN 0.883 nan 8.230 nan 0.000 0.462 446 S N -2.759 112.495 115.700 -0.744 0.000 2.539 446 S HA -0.032 4.438 4.470 0.000 0.000 0.226 446 S C 1.953 176.079 174.600 -0.790 0.000 1.054 446 S CA 0.017 57.637 58.200 -0.967 0.000 0.910 446 S CB -0.392 61.855 63.200 -1.589 0.000 0.818 446 S HN 0.294 nan 8.310 nan 0.000 0.490 447 C N 2.989 121.810 119.300 -0.798 0.000 2.349 447 C HA -0.109 4.351 4.460 0.000 0.000 0.274 447 C C 2.574 177.227 174.990 -0.561 0.000 1.178 447 C CA 1.383 59.846 59.018 -0.924 0.000 1.769 447 C CB -1.024 25.839 27.740 -1.462 0.000 2.047 447 C HN 0.624 nan 8.230 nan 0.000 0.448 448 E N 0.312 120.267 120.200 -0.409 0.000 2.489 448 E HA 0.094 4.444 4.350 0.000 0.000 0.193 448 E C 1.990 178.521 176.600 -0.115 0.000 1.057 448 E CA 0.097 56.382 56.400 -0.191 0.000 0.866 448 E CB -0.215 29.393 29.700 -0.152 0.000 0.916 448 E HN 0.678 nan 8.360 nan 0.000 0.500 449 L N 0.551 121.692 121.223 -0.137 0.000 1.989 449 L HA -0.099 4.241 4.340 0.000 0.000 0.211 449 L C 1.228 178.106 176.870 0.014 0.000 1.071 449 L CA 1.028 55.837 54.840 -0.052 0.000 0.749 449 L CB -0.131 41.903 42.059 -0.042 0.000 0.890 449 L HN 0.051 nan 8.230 nan 0.000 0.431 450 N N -1.488 117.245 118.700 0.054 0.000 2.621 450 N HA 0.159 4.899 4.740 0.000 0.000 0.271 450 N C -2.213 173.331 175.510 0.057 0.000 1.181 450 N CA -0.989 52.088 53.050 0.045 0.000 0.805 450 N CB 1.773 40.282 38.487 0.036 0.000 1.351 450 N HN -0.216 nan 8.380 nan 0.000 0.539 451 P HA -0.020 nan 4.420 nan 0.000 0.216 451 P C 0.499 177.850 177.300 0.085 0.000 1.153 451 P CA 1.365 64.523 63.100 0.096 0.000 0.848 451 P CB 0.707 32.467 31.700 0.098 0.000 0.787 452 E N -1.266 118.963 120.200 0.048 0.000 2.216 452 E HA 0.013 4.363 4.350 0.000 0.000 0.192 452 E C 2.193 178.799 176.600 0.010 0.000 0.973 452 E CA 0.260 56.679 56.400 0.032 0.000 0.851 452 E CB -0.197 29.515 29.700 0.020 0.000 0.804 452 E HN 0.082 nan 8.360 nan 0.000 0.477 453 R N -0.220 120.275 120.500 -0.007 0.000 2.127 453 R HA 0.105 4.445 4.340 0.000 0.000 0.217 453 R C -0.209 176.049 176.300 -0.069 0.000 1.074 453 R CA 0.742 56.814 56.100 -0.046 0.000 0.991 453 R CB 0.277 30.540 30.300 -0.062 0.000 0.895 453 R HN 0.095 nan 8.270 nan 0.000 0.450 454 c N 0.928 119.499 118.600 -0.049 0.000 2.386 454 c HA 0.396 4.966 4.570 0.000 0.000 0.318 454 c C -0.116 173.961 174.090 -0.022 0.000 1.128 454 c CA -0.654 55.589 56.329 -0.144 0.000 1.438 454 c CB 1.283 43.674 42.510 -0.200 0.000 1.987 454 c HN 0.546 nan 8.230 nan 0.000 0.426 455 Q N 0.506 120.288 119.800 -0.031 0.000 2.140 455 Q HA 0.221 4.561 4.340 0.000 0.000 0.227 455 Q C -0.897 175.167 176.000 0.106 0.000 0.798 455 Q CA 0.119 55.979 55.803 0.095 0.000 0.987 455 Q CB 1.204 30.008 28.738 0.111 0.000 1.161 455 Q HN 0.780 nan 8.270 nan 0.000 0.480 456 Y N 0.405 120.603 120.300 -0.170 0.000 2.445 456 Y HA 0.361 4.912 4.550 0.000 0.000 0.332 456 Y C -1.749 174.016 175.900 -0.224 0.000 1.037 456 Y CA -1.084 56.943 58.100 -0.121 0.000 1.296 456 Y CB 0.650 39.051 38.460 -0.098 0.000 1.099 456 Y HN -0.073 nan 8.280 nan 0.000 0.496 457 Y N 2.598 122.857 120.300 -0.068 0.000 2.377 457 Y HA 0.597 5.148 4.550 0.000 0.000 0.339 457 Y C 0.350 176.219 175.900 -0.051 0.000 1.011 457 Y CA -0.541 57.528 58.100 -0.053 0.000 1.093 457 Y CB 2.086 40.474 38.460 -0.120 0.000 1.201 457 Y HN 0.524 nan 8.280 nan 0.000 0.455 458 S N 1.590 117.391 115.700 0.170 0.000 2.677 458 S HA 0.885 5.355 4.470 0.000 0.000 0.304 458 S C -1.416 173.257 174.600 0.122 0.000 1.108 458 S CA -0.761 57.522 58.200 0.139 0.000 0.944 458 S CB 1.978 65.277 63.200 0.164 0.000 1.127 458 S HN 0.548 nan 8.310 nan 0.000 0.511 459 V N 0.273 120.247 119.914 0.100 0.000 2.971 459 V HA 0.823 4.943 4.120 0.000 0.000 0.309 459 V C -1.236 174.898 176.094 0.068 0.000 1.130 459 V CA -0.282 62.027 62.300 0.015 0.000 0.964 459 V CB 2.352 34.076 31.823 -0.165 0.000 1.029 459 V HN 1.124 nan 8.190 nan 0.000 0.427 460 S N 4.878 120.594 115.700 0.027 0.000 2.779 460 S HA 0.686 5.156 4.470 0.000 0.000 0.293 460 S C -1.177 173.478 174.600 0.091 0.000 1.150 460 S CA -0.378 57.937 58.200 0.192 0.000 1.057 460 S CB 0.470 63.871 63.200 0.334 0.000 1.021 460 S HN 0.479 nan 8.310 nan 0.000 0.485 461 F N 2.958 122.950 119.950 0.070 0.000 2.371 461 F HA 0.437 4.964 4.527 0.000 0.000 0.329 461 F C 1.445 176.903 175.800 -0.570 0.000 1.107 461 F CA -0.338 57.559 58.000 -0.170 0.000 1.137 461 F CB 1.207 40.112 39.000 -0.158 0.000 1.214 461 F HN 0.604 nan 8.300 nan 0.000 0.536 462 S N 1.019 116.224 115.700 -0.824 0.000 2.596 462 S HA 0.090 4.560 4.470 0.000 0.000 0.260 462 S C 0.991 175.419 174.600 -0.286 0.000 1.336 462 S CA -0.777 56.771 58.200 -1.087 0.000 0.993 462 S CB 0.537 63.134 63.200 -1.005 0.000 0.923 462 S HN 0.759 nan 8.310 nan 0.000 0.567 463 K N -0.187 120.157 120.400 -0.094 0.000 2.589 463 K HA -0.065 4.255 4.320 0.000 0.000 0.195 463 K C 0.785 177.401 176.600 0.026 0.000 1.040 463 K CA 1.291 57.606 56.287 0.047 0.000 0.950 463 K CB -0.131 32.439 32.500 0.117 0.000 0.781 463 K HN 0.795 nan 8.250 nan 0.000 0.486 464 E N -1.823 118.360 120.200 -0.030 0.000 2.835 464 E HA 0.174 4.524 4.350 0.000 0.000 0.183 464 E C -0.845 175.727 176.600 -0.047 0.000 0.934 464 E CA 0.510 56.900 56.400 -0.016 0.000 1.324 464 E CB 0.851 30.549 29.700 -0.002 0.000 1.038 464 E HN 0.215 nan 8.360 nan 0.000 0.481 465 A N 1.113 123.897 122.820 -0.060 0.000 2.846 465 A HA -0.267 4.053 4.320 0.000 0.000 0.287 465 A C 0.981 178.548 177.584 -0.028 0.000 1.469 465 A CA 1.359 53.395 52.037 -0.001 0.000 0.757 465 A CB -1.791 17.076 19.000 -0.222 0.000 1.033 465 A HN 0.288 nan 8.150 nan 0.000 0.516 466 K N -1.877 118.438 120.400 -0.141 0.000 2.361 466 K HA 0.229 4.549 4.320 0.000 0.000 0.194 466 K C -0.640 175.598 176.600 -0.602 0.000 1.032 466 K CA 0.852 56.945 56.287 -0.323 0.000 1.048 466 K CB 0.393 32.669 32.500 -0.375 0.000 0.842 466 K HN 0.704 nan 8.250 nan 0.000 0.526 467 Y N 0.369 120.527 120.300 -0.237 0.000 2.330 467 Y HA 0.189 4.739 4.550 0.000 0.000 0.324 467 Y C -0.855 174.851 175.900 -0.323 0.000 1.093 467 Y CA -1.674 56.260 58.100 -0.278 0.000 1.103 467 Y CB 1.105 39.410 38.460 -0.258 0.000 1.183 467 Y HN -0.032 nan 8.280 nan 0.000 0.433 468 Y N 0.347 120.551 120.300 -0.160 0.000 2.409 468 Y HA 0.628 5.178 4.550 0.000 0.000 0.339 468 Y C -0.475 175.392 175.900 -0.055 0.000 1.033 468 Y CA -1.374 56.501 58.100 -0.376 0.000 1.094 468 Y CB 1.321 39.113 38.460 -1.114 0.000 1.210 468 Y HN 0.577 nan 8.280 nan 0.000 0.456 469 Q N 3.844 123.747 119.800 0.172 0.000 2.256 469 Q HA 0.468 4.808 4.340 0.000 0.000 0.254 469 Q C -1.688 174.422 176.000 0.184 0.000 0.916 469 Q CA -0.704 55.206 55.803 0.179 0.000 0.932 469 Q CB 1.169 30.018 28.738 0.186 0.000 1.207 469 Q HN 0.978 nan 8.270 nan 0.000 0.426 470 L N 4.237 125.597 121.223 0.228 0.000 2.296 470 L HA 0.501 4.841 4.340 0.000 0.000 0.286 470 L C -0.083 176.868 176.870 0.136 0.000 1.023 470 L CA -0.444 54.525 54.840 0.215 0.000 0.812 470 L CB 1.497 43.708 42.059 0.253 0.000 1.223 470 L HN 0.529 nan 8.230 nan 0.000 0.421 471 R N 3.447 123.995 120.500 0.080 0.000 2.215 471 R HA 0.323 4.663 4.340 0.000 0.000 0.336 471 R C -0.964 175.191 176.300 -0.243 0.000 0.996 471 R CA -0.457 55.533 56.100 -0.183 0.000 0.847 471 R CB 1.111 31.389 30.300 -0.037 0.000 1.127 471 R HN 0.696 nan 8.270 nan 0.000 0.465 472 c N 4.059 122.373 118.600 -0.478 0.000 2.265 472 c HA 0.361 4.931 4.570 0.000 0.000 0.332 472 c C 0.909 174.762 174.090 -0.394 0.000 1.248 472 c CA -0.398 55.572 56.329 -0.597 0.000 1.727 472 c CB 0.431 42.554 42.510 -0.646 0.000 2.348 472 c HN 0.971 nan 8.230 nan 0.000 0.519 473 S N 3.549 119.114 115.700 -0.225 0.000 2.556 473 S HA 0.508 4.978 4.470 0.000 0.000 0.216 473 S C 0.740 175.285 174.600 -0.091 0.000 0.970 473 S CA 0.431 58.554 58.200 -0.128 0.000 0.912 473 S CB 0.097 63.227 63.200 -0.116 0.000 0.790 473 S HN 1.476 nan 8.310 nan 0.000 0.504 474 G N 1.782 110.513 108.800 -0.115 0.000 2.369 474 G HA2 0.151 4.111 3.960 0.000 0.000 0.293 474 G HA3 0.151 4.111 3.960 0.000 0.000 0.293 474 G C -2.929 171.944 174.900 -0.045 0.000 1.301 474 G CA -0.573 44.500 45.100 -0.046 0.000 0.913 474 G HN -0.137 nan 8.290 nan 0.000 0.540 475 P HA 0.128 nan 4.420 nan 0.000 0.225 475 P C 1.410 178.740 177.300 0.049 0.000 1.156 475 P CA 1.565 64.694 63.100 0.049 0.000 0.787 475 P CB 0.100 31.826 31.700 0.043 0.000 0.802 476 G N 0.572 109.333 108.800 -0.065 0.000 2.553 476 G HA2 0.295 4.255 3.960 0.000 0.000 0.278 476 G HA3 0.295 4.255 3.960 0.000 0.000 0.278 476 G C -0.526 174.125 174.900 -0.415 0.000 1.349 476 G CA -0.497 44.487 45.100 -0.193 0.000 1.037 476 G HN 0.021 nan 8.290 nan 0.000 0.508 477 L N 1.509 122.396 121.223 -0.560 0.000 2.540 477 L HA 0.189 4.529 4.340 0.000 0.000 0.276 477 L C -1.643 175.043 176.870 -0.306 0.000 1.212 477 L CA -0.480 53.991 54.840 -0.614 0.000 0.893 477 L CB 0.424 42.221 42.059 -0.438 0.000 1.138 477 L HN 0.229 nan 8.230 nan 0.000 0.491 478 P HA 0.083 nan 4.420 nan 0.000 0.265 478 P C -1.101 176.106 177.300 -0.155 0.000 1.187 478 P CA -0.070 62.935 63.100 -0.159 0.000 0.766 478 P CB 0.562 32.256 31.700 -0.009 0.000 0.820 479 L N 4.486 125.512 121.223 -0.328 0.000 2.410 479 L HA 0.501 4.841 4.340 0.000 0.000 0.270 479 L C -1.753 174.889 176.870 -0.380 0.000 0.983 479 L CA -0.583 54.128 54.840 -0.215 0.000 0.822 479 L CB 1.190 43.159 42.059 -0.150 0.000 1.285 479 L HN 0.246 nan 8.230 nan 0.000 0.409 480 Y N 2.832 123.087 120.300 -0.076 0.000 2.328 480 Y HA 0.698 5.248 4.550 0.000 0.000 0.333 480 Y C 0.232 176.021 175.900 -0.183 0.000 0.958 480 Y CA -0.554 57.486 58.100 -0.100 0.000 1.167 480 Y CB 2.132 40.520 38.460 -0.119 0.000 1.151 480 Y HN 0.657 nan 8.280 nan 0.000 0.470 481 T N 1.258 115.797 114.554 -0.024 0.000 2.906 481 T HA 0.688 5.038 4.350 0.000 0.000 0.295 481 T C -1.308 173.250 174.700 -0.237 0.000 1.061 481 T CA -0.888 61.112 62.100 -0.167 0.000 1.000 481 T CB 1.787 70.573 68.868 -0.135 0.000 1.103 481 T HN 0.562 nan 8.240 nan 0.000 0.486 482 L N 2.558 123.538 121.223 -0.404 0.000 2.307 482 L HA 0.576 4.917 4.340 0.000 0.000 0.284 482 L C -0.610 175.908 176.870 -0.587 0.000 1.023 482 L CA -0.748 53.902 54.840 -0.317 0.000 0.810 482 L CB 0.888 42.858 42.059 -0.149 0.000 1.231 482 L HN 0.778 nan 8.230 nan 0.000 0.423 483 H N 2.040 120.884 119.070 -0.377 0.000 2.637 483 H HA 0.310 4.866 4.556 0.000 0.000 0.363 483 H C -0.633 174.372 175.328 -0.538 0.000 1.131 483 H CA -0.801 54.906 56.048 -0.569 0.000 1.183 483 H CB 2.152 31.283 29.762 -1.051 0.000 1.637 483 H HN 0.553 nan 8.280 nan 0.000 0.531 484 S N 0.779 116.339 115.700 -0.233 0.000 2.513 484 S HA 0.075 4.545 4.470 0.000 0.000 0.276 484 S C 1.109 175.591 174.600 -0.198 0.000 1.254 484 S CA -0.374 57.667 58.200 -0.265 0.000 1.053 484 S CB 1.134 64.206 63.200 -0.213 0.000 0.958 484 S HN 0.681 nan 8.310 nan 0.000 0.491 485 S N 2.679 118.307 115.700 -0.119 0.000 2.558 485 S HA -0.043 4.427 4.470 0.000 0.000 0.217 485 S C 1.504 176.117 174.600 0.023 0.000 0.975 485 S CA 0.319 58.590 58.200 0.118 0.000 0.912 485 S CB -0.360 62.961 63.200 0.201 0.000 0.776 485 S HN 0.809 nan 8.310 nan 0.000 0.526 486 V N 2.152 122.023 119.914 -0.071 0.000 2.261 486 V HA -0.067 4.054 4.120 0.000 0.000 0.246 486 V C 1.032 177.108 176.094 -0.030 0.000 1.047 486 V CA 2.168 64.436 62.300 -0.052 0.000 1.015 486 V CB -0.564 31.205 31.823 -0.090 0.000 0.642 486 V HN 0.517 nan 8.190 nan 0.000 0.446 487 N N -0.570 118.106 118.700 -0.040 0.000 2.197 487 N HA 0.194 4.934 4.740 0.000 0.000 0.228 487 N C -0.111 175.384 175.510 -0.025 0.000 1.212 487 N CA 0.411 53.444 53.050 -0.028 0.000 0.883 487 N CB 0.354 38.825 38.487 -0.026 0.000 1.107 487 N HN 0.449 nan 8.380 nan 0.000 0.519 488 D N 0.159 120.552 120.400 -0.012 0.000 2.811 488 D HA -0.230 4.411 4.640 0.000 0.000 0.231 488 D C -0.026 176.276 176.300 0.003 0.000 1.157 488 D CA 1.046 55.054 54.000 0.014 0.000 0.716 488 D CB -0.662 40.139 40.800 0.001 0.000 1.077 488 D HN 0.406 nan 8.370 nan 0.000 0.428 489 K N 0.457 120.849 120.400 -0.013 0.000 2.159 489 K HA 0.472 4.792 4.320 0.000 0.000 0.266 489 K C 0.553 177.146 176.600 -0.012 0.000 0.975 489 K CA -0.351 55.933 56.287 -0.005 0.000 0.865 489 K CB 1.151 33.636 32.500 -0.026 0.000 1.087 489 K HN 0.032 nan 8.250 nan 0.000 0.446 490 G N 4.073 112.872 108.800 -0.002 0.000 2.343 490 G HA2 0.107 4.068 3.960 0.000 0.000 0.254 490 G HA3 0.107 4.068 3.960 0.000 0.000 0.254 490 G C 0.668 175.451 174.900 -0.194 0.000 1.277 490 G CA -0.323 44.656 45.100 -0.202 0.000 0.909 490 G HN 0.693 nan 8.290 nan 0.000 0.502 491 L N 1.987 123.066 121.223 -0.241 0.000 2.022 491 L HA 0.257 4.597 4.340 0.000 0.000 0.204 491 L C 1.753 178.535 176.870 -0.148 0.000 1.076 491 L CA 1.054 55.808 54.840 -0.143 0.000 0.749 491 L CB -0.138 41.867 42.059 -0.090 0.000 0.903 491 L HN 0.722 nan 8.230 nan 0.000 0.439 492 R N -1.568 118.811 120.500 -0.203 0.000 2.734 492 R HA 0.452 4.793 4.340 0.000 0.000 0.271 492 R C -1.525 174.635 176.300 -0.234 0.000 1.021 492 R CA -0.845 55.146 56.100 -0.182 0.000 0.893 492 R CB 1.554 31.771 30.300 -0.139 0.000 1.244 492 R HN -0.245 nan 8.270 nan 0.000 0.464 493 V N 3.454 123.251 119.914 -0.194 0.000 2.408 493 V HA 0.128 4.249 4.120 0.000 0.000 0.267 493 V C 1.500 177.423 176.094 -0.285 0.000 1.047 493 V CA -0.310 61.871 62.300 -0.199 0.000 0.937 493 V CB 0.847 32.593 31.823 -0.128 0.000 0.999 493 V HN 0.659 nan 8.190 nan 0.000 0.472 494 L N 2.589 123.560 121.223 -0.419 0.000 2.102 494 L HA 0.220 4.560 4.340 0.000 0.000 0.202 494 L C 0.878 177.377 176.870 -0.619 0.000 1.076 494 L CA 0.947 55.282 54.840 -0.842 0.000 0.761 494 L CB 0.107 41.327 42.059 -1.397 0.000 0.921 494 L HN 0.656 nan 8.230 nan 0.000 0.444 495 E N -0.186 119.856 120.200 -0.264 0.000 2.304 495 E HA 0.126 4.476 4.350 0.000 0.000 0.277 495 E C -1.274 175.371 176.600 0.075 0.000 0.898 495 E CA -0.412 55.968 56.400 -0.033 0.000 0.764 495 E CB 1.363 31.078 29.700 0.026 0.000 1.216 495 E HN 0.182 nan 8.360 nan 0.000 0.419 496 D N 2.855 123.274 120.400 0.031 0.000 2.503 496 D HA 0.163 4.803 4.640 0.000 0.000 0.218 496 D C -0.305 176.001 176.300 0.010 0.000 1.183 496 D CA -0.324 53.683 54.000 0.012 0.000 0.827 496 D CB -0.043 40.742 40.800 -0.025 0.000 1.034 496 D HN 0.456 nan 8.370 nan 0.000 0.510 497 N N 0.528 119.254 118.700 0.044 0.000 2.725 497 N HA -0.217 4.523 4.740 0.000 0.000 0.249 497 N C 0.923 176.440 175.510 0.012 0.000 1.103 497 N CA 0.913 53.985 53.050 0.037 0.000 0.707 497 N CB -1.181 37.319 38.487 0.023 0.000 1.043 497 N HN 0.480 nan 8.380 nan 0.000 0.553 498 S N -1.091 114.616 115.700 0.012 0.000 2.399 498 S HA -0.066 4.404 4.470 0.000 0.000 0.231 498 S C 2.117 176.732 174.600 0.024 0.000 1.022 498 S CA 0.998 59.203 58.200 0.007 0.000 0.983 498 S CB -0.155 63.048 63.200 0.005 0.000 0.803 498 S HN 0.522 nan 8.310 nan 0.000 0.480 499 A N 2.156 125.000 122.820 0.040 0.000 1.865 499 A HA 0.017 4.337 4.320 0.000 0.000 0.217 499 A C 2.259 179.888 177.584 0.074 0.000 1.191 499 A CA 1.711 53.782 52.037 0.056 0.000 0.623 499 A CB -0.951 18.087 19.000 0.063 0.000 0.826 499 A HN 0.526 nan 8.150 nan 0.000 0.444 500 L N 0.013 121.284 121.223 0.081 0.000 2.056 500 L HA -0.142 4.198 4.340 0.000 0.000 0.207 500 L C 2.010 178.921 176.870 0.068 0.000 1.078 500 L CA 2.542 57.449 54.840 0.111 0.000 0.749 500 L CB -0.595 41.535 42.059 0.118 0.000 0.901 500 L HN 0.483 nan 8.230 nan 0.000 0.433 501 D N -0.209 120.200 120.400 0.015 0.000 2.133 501 D HA -0.290 4.350 4.640 0.000 0.000 0.195 501 D C 2.084 178.389 176.300 0.007 0.000 0.997 501 D CA 1.448 55.437 54.000 -0.018 0.000 0.840 501 D CB 0.131 40.910 40.800 -0.034 0.000 0.947 501 D HN 0.429 nan 8.370 nan 0.000 0.452 502 K N -0.045 120.374 120.400 0.031 0.000 2.025 502 K HA -0.093 4.227 4.320 0.000 0.000 0.207 502 K C 2.411 179.048 176.600 0.060 0.000 1.049 502 K CA 1.225 57.536 56.287 0.040 0.000 0.933 502 K CB -0.119 32.408 32.500 0.044 0.000 0.714 502 K HN 0.235 nan 8.250 nan 0.000 0.438 503 M N -0.470 119.191 119.600 0.102 0.000 2.476 503 M HA -0.019 4.461 4.480 0.000 0.000 0.262 503 M C 1.091 177.447 176.300 0.093 0.000 1.079 503 M CA 1.029 56.426 55.300 0.160 0.000 1.104 503 M CB -0.010 32.756 32.600 0.277 0.000 1.409 503 M HN -0.031 nan 8.290 nan 0.000 0.467 504 L N 0.922 122.148 121.223 0.005 0.000 2.554 504 L HA 0.097 4.437 4.340 0.000 0.000 0.226 504 L C 2.340 179.176 176.870 -0.057 0.000 1.137 504 L CA 1.326 56.102 54.840 -0.107 0.000 0.863 504 L CB -0.661 41.348 42.059 -0.083 0.000 0.985 504 L HN 0.432 nan 8.230 nan 0.000 0.451 505 Q N -1.373 118.420 119.800 -0.012 0.000 2.378 505 Q HA -0.088 4.252 4.340 0.000 0.000 0.205 505 Q C 1.239 177.248 176.000 0.015 0.000 0.954 505 Q CA 0.724 56.527 55.803 -0.001 0.000 0.901 505 Q CB 0.029 28.773 28.738 0.009 0.000 0.981 505 Q HN 0.497 nan 8.270 nan 0.000 0.483 506 N N -0.424 118.293 118.700 0.028 0.000 2.398 506 N HA 0.026 4.767 4.740 0.000 0.000 0.188 506 N C -0.933 174.606 175.510 0.049 0.000 1.122 506 N CA -0.094 52.986 53.050 0.051 0.000 0.866 506 N CB 0.752 39.287 38.487 0.081 0.000 0.970 506 N HN -0.131 nan 8.380 nan 0.000 0.462 507 V N 0.853 120.770 119.914 0.006 0.000 2.680 507 V HA 0.260 4.380 4.120 0.000 0.000 0.309 507 V C -0.301 175.791 176.094 -0.003 0.000 1.052 507 V CA -0.898 61.401 62.300 -0.003 0.000 0.908 507 V CB 1.942 33.692 31.823 -0.122 0.000 1.001 507 V HN 0.045 nan 8.190 nan 0.000 0.431 508 Q N 3.938 123.756 119.800 0.031 0.000 2.534 508 Q HA 0.330 4.670 4.340 0.000 0.000 0.223 508 Q C -0.458 175.523 176.000 -0.031 0.000 1.239 508 Q CA -0.200 55.605 55.803 0.002 0.000 0.936 508 Q CB 0.413 29.192 28.738 0.069 0.000 1.457 508 Q HN 0.519 nan 8.270 nan 0.000 0.547 509 M N 3.660 123.219 119.600 -0.069 0.000 2.235 509 M HA 0.331 4.811 4.480 0.000 0.000 0.351 509 M C -2.012 174.221 176.300 -0.111 0.000 1.178 509 M CA -2.580 52.670 55.300 -0.083 0.000 1.143 509 M CB 0.169 32.725 32.600 -0.073 0.000 1.530 509 M HN 0.284 nan 8.290 nan 0.000 0.461 510 P HA 0.193 nan 4.420 nan 0.000 0.272 510 P C -0.711 176.504 177.300 -0.143 0.000 1.240 510 P CA -0.305 62.704 63.100 -0.152 0.000 0.791 510 P CB 0.381 31.974 31.700 -0.178 0.000 0.978 511 S N -0.301 115.300 115.700 -0.165 0.000 2.718 511 S HA 0.594 5.064 4.470 0.000 0.000 0.300 511 S C -0.450 174.050 174.600 -0.166 0.000 1.117 511 S CA -0.820 57.295 58.200 -0.141 0.000 1.002 511 S CB 1.559 64.677 63.200 -0.136 0.000 1.092 511 S HN 0.466 nan 8.310 nan 0.000 0.542 512 K N 0.551 120.879 120.400 -0.119 0.000 2.413 512 K HA 0.362 4.682 4.320 0.000 0.000 0.257 512 K C -1.203 175.340 176.600 -0.094 0.000 0.946 512 K CA -0.457 55.764 56.287 -0.110 0.000 0.823 512 K CB 1.186 33.646 32.500 -0.066 0.000 1.109 512 K HN 0.684 nan 8.250 nan 0.000 0.427 513 K N 5.573 125.902 120.400 -0.117 0.000 2.234 513 K HA 0.288 4.608 4.320 0.000 0.000 0.277 513 K C -1.162 175.397 176.600 -0.069 0.000 1.038 513 K CA -0.584 55.654 56.287 -0.083 0.000 0.888 513 K CB 0.772 33.218 32.500 -0.091 0.000 1.091 513 K HN 0.548 nan 8.250 nan 0.000 0.467 514 L N 4.257 125.454 121.223 -0.042 0.000 2.313 514 L HA 0.456 4.797 4.340 0.000 0.000 0.283 514 L C -1.139 175.720 176.870 -0.019 0.000 1.013 514 L CA -0.203 54.632 54.840 -0.008 0.000 0.816 514 L CB 1.454 43.579 42.059 0.109 0.000 1.236 514 L HN 0.890 nan 8.230 nan 0.000 0.419 515 D N 2.452 122.685 120.400 -0.279 0.000 2.779 515 D HA 0.468 5.108 4.640 0.000 0.000 0.331 515 D C -1.532 174.358 176.300 -0.683 0.000 1.331 515 D CA -0.103 53.623 54.000 -0.457 0.000 0.866 515 D CB 1.592 42.098 40.800 -0.491 0.000 1.409 515 D HN 0.219 nan 8.370 nan 0.000 0.486 516 F N -0.111 119.429 119.950 -0.683 0.000 2.593 516 F HA 0.760 5.287 4.527 0.000 0.000 0.320 516 F C -0.597 175.234 175.800 0.051 0.000 1.060 516 F CA -1.174 56.505 58.000 -0.534 0.000 0.940 516 F CB 0.947 39.184 39.000 -1.273 0.000 1.268 516 F HN 0.313 nan 8.300 nan 0.000 0.475 517 I N 0.611 121.434 120.570 0.422 0.000 2.603 517 I HA 0.599 4.769 4.170 0.000 0.000 0.300 517 I C -1.175 175.174 176.117 0.387 0.000 1.017 517 I CA -1.128 60.379 61.300 0.345 0.000 1.098 517 I CB 2.127 40.312 38.000 0.308 0.000 1.279 517 I HN 0.453 nan 8.210 nan 0.000 0.437 518 I N 5.874 126.615 120.570 0.285 0.000 2.312 518 I HA 0.345 4.515 4.170 0.000 0.000 0.291 518 I C -0.618 175.637 176.117 0.230 0.000 1.031 518 I CA -0.415 61.031 61.300 0.243 0.000 1.293 518 I CB 1.007 39.112 38.000 0.174 0.000 1.403 518 I HN 0.430 nan 8.210 nan 0.000 0.484 519 L N 7.703 129.119 121.223 0.322 0.000 2.345 519 L HA 0.425 4.765 4.340 0.000 0.000 0.274 519 L C -0.152 176.869 176.870 0.251 0.000 0.999 519 L CA -0.386 54.624 54.840 0.283 0.000 0.849 519 L CB 0.554 42.817 42.059 0.341 0.000 1.220 519 L HN 0.491 nan 8.230 nan 0.000 0.422 520 N N 3.256 122.038 118.700 0.136 0.000 2.696 520 N HA -0.254 4.486 4.740 0.000 0.000 0.256 520 N C 0.327 175.885 175.510 0.080 0.000 1.031 520 N CA 1.113 54.219 53.050 0.092 0.000 0.730 520 N CB -1.035 37.499 38.487 0.080 0.000 0.894 520 N HN 0.823 nan 8.380 nan 0.000 0.544 521 E N -3.618 116.622 120.200 0.067 0.000 3.170 521 E HA -0.245 4.105 4.350 0.000 0.000 0.284 521 E C -0.693 175.905 176.600 -0.004 0.000 0.967 521 E CA 1.528 57.947 56.400 0.032 0.000 0.919 521 E CB -1.468 28.241 29.700 0.016 0.000 1.469 521 E HN 0.612 nan 8.360 nan 0.000 0.444 522 T N 0.566 115.121 114.554 0.002 0.000 2.829 522 T HA 0.375 4.726 4.350 0.000 0.000 0.280 522 T C -0.079 174.476 174.700 -0.242 0.000 0.999 522 T CA -0.913 61.081 62.100 -0.177 0.000 0.983 522 T CB 1.611 70.300 68.868 -0.298 0.000 0.968 522 T HN -0.011 nan 8.240 nan 0.000 0.446 523 K N 2.354 122.551 120.400 -0.339 0.000 2.316 523 K HA 0.360 4.681 4.320 0.000 0.000 0.289 523 K C -1.096 175.260 176.600 -0.406 0.000 1.070 523 K CA -0.097 56.007 56.287 -0.306 0.000 0.928 523 K CB 0.341 32.590 32.500 -0.418 0.000 1.039 523 K HN 0.426 nan 8.250 nan 0.000 0.480 524 F N 2.338 122.337 119.950 0.082 0.000 2.449 524 F HA 0.298 4.826 4.527 0.000 0.000 0.342 524 F C -0.355 175.494 175.800 0.082 0.000 1.127 524 F CA -0.824 57.214 58.000 0.063 0.000 0.975 524 F CB 0.872 39.909 39.000 0.062 0.000 1.146 524 F HN 0.415 nan 8.300 nan 0.000 0.444 525 W N 4.139 125.540 121.300 0.169 0.000 2.376 525 W HA 0.505 5.165 4.660 0.000 0.000 0.322 525 W C -0.602 176.059 176.519 0.237 0.000 1.160 525 W CA -0.677 56.789 57.345 0.202 0.000 1.218 525 W CB 0.671 30.199 29.460 0.114 0.000 1.205 525 W HN 0.442 nan 8.180 nan 0.000 0.559 526 Y N 0.002 120.600 120.300 0.497 0.000 2.576 526 Y HA 0.664 5.215 4.550 0.000 0.000 0.346 526 Y C -0.727 175.385 175.900 0.353 0.000 1.018 526 Y CA -1.875 56.524 58.100 0.497 0.000 1.050 526 Y CB 1.163 40.075 38.460 0.752 0.000 1.280 526 Y HN 0.555 nan 8.280 nan 0.000 0.474 527 Q N 2.562 122.583 119.800 0.367 0.000 2.377 527 Q HA 0.722 5.062 4.340 0.000 0.000 0.271 527 Q C -1.735 174.371 176.000 0.178 0.000 1.077 527 Q CA -1.123 54.786 55.803 0.177 0.000 0.820 527 Q CB 3.025 31.836 28.738 0.121 0.000 1.347 527 Q HN 0.914 nan 8.270 nan 0.000 0.444 528 M N 2.950 122.582 119.600 0.053 0.000 2.197 528 M HA 0.399 4.879 4.480 0.000 0.000 0.301 528 M C -1.251 174.960 176.300 -0.149 0.000 0.987 528 M CA -0.896 54.361 55.300 -0.072 0.000 0.921 528 M CB 1.968 34.485 32.600 -0.138 0.000 1.569 528 M HN 0.625 nan 8.290 nan 0.000 0.431 529 I N 5.536 126.017 120.570 -0.149 0.000 2.322 529 I HA 0.277 4.447 4.170 0.000 0.000 0.292 529 I C -0.496 175.452 176.117 -0.281 0.000 1.060 529 I CA -0.091 61.095 61.300 -0.190 0.000 1.309 529 I CB -0.261 37.650 38.000 -0.149 0.000 1.415 529 I HN 0.639 nan 8.210 nan 0.000 0.492 530 L N 8.434 129.439 121.223 -0.363 0.000 2.296 530 L HA 0.448 4.788 4.340 0.000 0.000 0.286 530 L C -2.199 174.456 176.870 -0.358 0.000 1.023 530 L CA -1.844 52.670 54.840 -0.544 0.000 0.812 530 L CB 1.618 43.154 42.059 -0.872 0.000 1.223 530 L HN 0.263 nan 8.230 nan 0.000 0.421 531 P HA -0.023 nan 4.420 nan 0.000 0.267 531 P C -2.399 174.851 177.300 -0.084 0.000 1.195 531 P CA -0.587 62.429 63.100 -0.140 0.000 0.773 531 P CB -0.274 31.385 31.700 -0.069 0.000 0.837 532 P HA -0.078 nan 4.420 nan 0.000 0.268 532 P C -0.148 177.095 177.300 -0.095 0.000 1.208 532 P CA 0.656 63.640 63.100 -0.192 0.000 0.777 532 P CB 0.041 31.592 31.700 -0.248 0.000 0.875 533 H N -1.495 117.613 119.070 0.062 0.000 2.770 533 H HA -0.201 4.355 4.556 0.000 0.000 0.309 533 H C 0.002 175.394 175.328 0.107 0.000 1.206 533 H CA 0.098 56.187 56.048 0.069 0.000 1.147 533 H CB -2.438 27.358 29.762 0.057 0.000 1.422 533 H HN 0.399 nan 8.280 nan 0.000 0.420 534 F N 2.668 122.608 119.950 -0.016 0.000 2.590 534 F HA 0.121 4.648 4.527 0.000 0.000 0.389 534 F C 0.507 176.314 175.800 0.012 0.000 1.049 534 F CA -0.143 57.803 58.000 -0.090 0.000 1.199 534 F CB 0.459 39.299 39.000 -0.266 0.000 1.058 534 F HN 0.155 nan 8.300 nan 0.000 0.556 535 D N 6.536 126.675 120.400 -0.434 0.000 2.461 535 D HA 0.114 4.754 4.640 0.000 0.000 0.240 535 D C 0.431 176.412 176.300 -0.531 0.000 1.094 535 D CA -0.461 53.330 54.000 -0.349 0.000 0.868 535 D CB 0.972 41.724 40.800 -0.080 0.000 1.062 535 D HN 0.722 nan 8.370 nan 0.000 0.530 536 K N 1.212 121.212 120.400 -0.667 0.000 2.505 536 K HA -0.005 4.315 4.320 0.000 0.000 0.192 536 K C 0.889 177.460 176.600 -0.049 0.000 1.025 536 K CA 0.209 56.236 56.287 -0.434 0.000 1.086 536 K CB 0.083 32.371 32.500 -0.353 0.000 0.840 536 K HN 0.149 nan 8.250 nan 0.000 0.514 537 S N 0.073 115.720 115.700 -0.087 0.000 2.558 537 S HA 0.083 4.553 4.470 0.000 0.000 0.217 537 S C 0.373 174.941 174.600 -0.054 0.000 0.975 537 S CA -0.319 57.856 58.200 -0.041 0.000 0.912 537 S CB -0.038 63.131 63.200 -0.051 0.000 0.776 537 S HN 0.227 nan 8.310 nan 0.000 0.526 538 K N 1.218 121.566 120.400 -0.088 0.000 2.087 538 K HA 0.401 4.722 4.320 0.000 0.000 0.255 538 K C -0.482 176.052 176.600 -0.109 0.000 0.988 538 K CA -0.655 55.519 56.287 -0.189 0.000 0.915 538 K CB 0.647 32.883 32.500 -0.439 0.000 1.043 538 K HN -0.005 nan 8.250 nan 0.000 0.457 539 K N 2.694 122.986 120.400 -0.180 0.000 2.316 539 K HA 0.234 4.554 4.320 0.000 0.000 0.267 539 K C -1.004 175.507 176.600 -0.148 0.000 1.025 539 K CA -0.359 55.893 56.287 -0.059 0.000 0.896 539 K CB 0.734 33.196 32.500 -0.063 0.000 1.124 539 K HN 0.456 nan 8.250 nan 0.000 0.451 540 Y N 3.207 123.543 120.300 0.059 0.000 2.352 540 Y HA 0.235 4.785 4.550 0.000 0.000 0.326 540 Y C -1.638 174.205 175.900 -0.095 0.000 1.166 540 Y CA -2.089 56.021 58.100 0.016 0.000 1.182 540 Y CB 0.701 39.234 38.460 0.123 0.000 1.216 540 Y HN 0.453 nan 8.280 nan 0.000 0.474 541 P HA 0.149 nan 4.420 nan 0.000 0.272 541 P C -1.240 175.916 177.300 -0.240 0.000 1.230 541 P CA -0.171 62.650 63.100 -0.466 0.000 0.788 541 P CB 1.450 32.509 31.700 -1.069 0.000 0.949 542 L N 2.212 123.306 121.223 -0.214 0.000 2.436 542 L HA 0.554 4.894 4.340 0.000 0.000 0.268 542 L C -1.653 175.414 176.870 0.328 0.000 0.974 542 L CA -0.928 53.963 54.840 0.085 0.000 0.826 542 L CB 1.908 44.030 42.059 0.105 0.000 1.291 542 L HN 0.130 nan 8.230 nan 0.000 0.406 543 L N 5.197 126.628 121.223 0.347 0.000 2.298 543 L HA 0.545 4.885 4.340 0.000 0.000 0.284 543 L C -1.234 175.877 176.870 0.400 0.000 1.013 543 L CA -0.411 54.687 54.840 0.430 0.000 0.824 543 L CB 1.407 43.670 42.059 0.341 0.000 1.221 543 L HN 0.675 nan 8.230 nan 0.000 0.418 544 L N 5.086 126.596 121.223 0.478 0.000 2.385 544 L HA 0.293 4.633 4.340 0.000 0.000 0.281 544 L C -0.326 176.785 176.870 0.402 0.000 1.106 544 L CA 0.420 55.532 54.840 0.454 0.000 0.856 544 L CB 0.197 42.565 42.059 0.515 0.000 1.186 544 L HN 0.591 nan 8.230 nan 0.000 0.453 545 D N 4.144 124.755 120.400 0.352 0.000 2.347 545 D HA 0.224 4.864 4.640 0.000 0.000 0.235 545 D C -0.982 175.409 176.300 0.152 0.000 1.149 545 D CA 0.017 54.149 54.000 0.220 0.000 0.850 545 D CB 1.288 42.274 40.800 0.310 0.000 1.061 545 D HN 0.286 nan 8.370 nan 0.000 0.487 546 V N 6.342 126.273 119.914 0.028 0.000 2.604 546 V HA 0.378 4.498 4.120 0.000 0.000 0.305 546 V C -0.726 175.483 176.094 0.193 0.000 1.043 546 V CA -0.520 61.870 62.300 0.151 0.000 0.888 546 V CB 1.800 33.722 31.823 0.165 0.000 0.995 546 V HN 0.689 nan 8.190 nan 0.000 0.429 547 Y N 5.627 126.010 120.300 0.139 0.000 2.808 547 Y HA 0.414 4.964 4.550 0.000 0.000 0.244 547 Y C 1.770 177.826 175.900 0.259 0.000 1.033 547 Y CA 0.399 58.612 58.100 0.188 0.000 1.415 547 Y CB 0.485 39.040 38.460 0.158 0.000 1.420 547 Y HN 0.879 nan 8.280 nan 0.000 0.484 548 A N 1.261 124.178 122.820 0.162 0.000 2.910 548 A HA -0.235 4.086 4.320 0.000 0.000 0.267 548 A C 0.811 178.274 177.584 -0.202 0.000 1.310 548 A CA 0.966 53.033 52.037 0.049 0.000 0.934 548 A CB -2.540 16.607 19.000 0.245 0.000 1.057 548 A HN 0.756 nan 8.150 nan 0.000 0.742 549 G N -0.961 107.439 108.800 -0.666 0.000 2.634 549 G HA2 0.461 4.421 3.960 0.000 0.000 0.255 549 G HA3 0.461 4.421 3.960 0.000 0.000 0.255 549 G C -2.234 172.188 174.900 -0.797 0.000 1.205 549 G CA -0.719 43.597 45.100 -1.306 0.000 0.884 549 G HN 0.297 nan 8.290 nan 0.000 0.549 550 P HA 0.066 nan 4.420 nan 0.000 0.262 550 P C 0.651 177.682 177.300 -0.449 0.000 1.182 550 P CA 0.103 62.822 63.100 -0.636 0.000 0.761 550 P CB 0.665 31.565 31.700 -1.334 0.000 0.795 551 C N 2.444 121.562 119.300 -0.302 0.000 4.326 551 C HA -0.168 4.292 4.460 0.000 0.000 0.284 551 C C 0.971 175.914 174.990 -0.078 0.000 1.419 551 C CA 1.187 60.032 59.018 -0.288 0.000 1.920 551 C CB -2.733 24.689 27.740 -0.530 0.000 1.306 551 C HN 0.800 nan 8.230 nan 0.000 0.786 552 S N 0.255 115.815 115.700 -0.233 0.000 2.572 552 S HA 0.418 4.888 4.470 0.000 0.000 0.279 552 S C -0.543 174.087 174.600 0.049 0.000 1.341 552 S CA 0.203 58.230 58.200 -0.288 0.000 1.043 552 S CB 1.366 63.946 63.200 -1.034 0.000 0.887 552 S HN 0.748 nan 8.310 nan 0.000 0.516 553 Q N 0.778 120.712 119.800 0.224 0.000 2.337 553 Q HA 0.329 4.670 4.340 0.000 0.000 0.260 553 Q C -0.402 175.736 176.000 0.230 0.000 0.982 553 Q CA -0.685 55.266 55.803 0.246 0.000 0.734 553 Q CB 0.914 29.841 28.738 0.314 0.000 1.272 553 Q HN 0.688 nan 8.270 nan 0.000 0.461 554 K N 0.740 121.266 120.400 0.209 0.000 2.360 554 K HA 0.305 4.625 4.320 0.000 0.000 0.196 554 K C -0.276 176.443 176.600 0.199 0.000 1.049 554 K CA 0.188 56.608 56.287 0.222 0.000 1.049 554 K CB 1.371 34.024 32.500 0.255 0.000 0.881 554 K HN 0.490 nan 8.250 nan 0.000 0.542 555 A N 2.829 125.767 122.820 0.197 0.000 2.256 555 A HA 0.460 4.780 4.320 0.000 0.000 0.317 555 A C -0.732 176.926 177.584 0.124 0.000 1.318 555 A CA -0.475 51.675 52.037 0.188 0.000 0.894 555 A CB 0.257 19.419 19.000 0.270 0.000 1.165 555 A HN 0.249 nan 8.150 nan 0.000 0.525 556 D N 0.002 120.456 120.400 0.090 0.000 2.759 556 D HA 0.346 4.986 4.640 0.000 0.000 0.321 556 D C 0.351 176.684 176.300 0.055 0.000 1.267 556 D CA 0.321 54.367 54.000 0.077 0.000 0.933 556 D CB 0.122 40.995 40.800 0.121 0.000 1.431 556 D HN 0.216 nan 8.370 nan 0.000 0.504 557 T N -2.288 112.329 114.554 0.106 0.000 3.163 557 T HA 0.306 4.656 4.350 0.000 0.000 0.252 557 T C 0.478 175.164 174.700 -0.024 0.000 1.056 557 T CA -0.329 61.819 62.100 0.079 0.000 0.947 557 T CB -0.656 68.300 68.868 0.147 0.000 1.016 557 T HN 0.290 nan 8.240 nan 0.000 0.554 558 V N 2.845 122.642 119.914 -0.196 0.000 2.508 558 V HA 0.287 4.407 4.120 0.000 0.000 0.281 558 V C 0.206 176.253 176.094 -0.078 0.000 1.041 558 V CA -1.085 61.051 62.300 -0.273 0.000 1.016 558 V CB -0.402 31.145 31.823 -0.460 0.000 0.984 558 V HN 0.533 nan 8.190 nan 0.000 0.478 559 F N 6.781 126.642 119.950 -0.147 0.000 2.495 559 F HA 0.457 4.984 4.527 0.000 0.000 0.365 559 F C 0.653 176.403 175.800 -0.083 0.000 1.090 559 F CA 0.108 58.047 58.000 -0.103 0.000 1.235 559 F CB 0.188 39.135 39.000 -0.088 0.000 1.119 559 F HN 0.451 nan 8.300 nan 0.000 0.562 560 R N 6.463 126.499 120.500 -0.774 0.000 2.725 560 R HA 0.548 4.888 4.340 0.000 0.000 0.277 560 R C -1.685 174.206 176.300 -0.681 0.000 0.987 560 R CA -1.083 54.717 56.100 -0.500 0.000 0.901 560 R CB 2.082 32.236 30.300 -0.243 0.000 1.207 560 R HN 0.648 nan 8.270 nan 0.000 0.463 561 L N 3.905 124.931 121.223 -0.328 0.000 2.324 561 L HA 0.430 4.770 4.340 0.000 0.000 0.274 561 L C -0.642 176.249 176.870 0.036 0.000 1.012 561 L CA -0.697 54.006 54.840 -0.228 0.000 0.859 561 L CB 0.792 42.846 42.059 -0.008 0.000 1.224 561 L HN 0.757 nan 8.230 nan 0.000 0.429 562 N N 0.302 118.949 118.700 -0.088 0.000 3.479 562 N HA 0.191 4.932 4.740 0.000 0.000 0.336 562 N C 0.126 175.323 175.510 -0.522 0.000 1.623 562 N CA -0.877 52.040 53.050 -0.222 0.000 0.759 562 N CB 0.206 38.655 38.487 -0.063 0.000 2.016 562 N HN 0.329 nan 8.380 nan 0.000 0.637 563 W N 0.562 121.301 121.300 -0.934 0.000 2.381 563 W HA 0.267 4.927 4.660 0.000 0.000 0.301 563 W C 2.052 178.523 176.519 -0.079 0.000 1.205 563 W CA 2.606 59.611 57.345 -0.566 0.000 1.285 563 W CB -0.992 28.267 29.460 -0.335 0.000 1.133 563 W HN 0.695 nan 8.180 nan 0.000 0.521 564 A N -0.138 122.632 122.820 -0.083 0.000 1.940 564 A HA -0.241 4.079 4.320 0.000 0.000 0.219 564 A C 1.950 179.416 177.584 -0.197 0.000 1.176 564 A CA 2.734 54.663 52.037 -0.181 0.000 0.631 564 A CB -1.340 17.643 19.000 -0.028 0.000 0.814 564 A HN 0.318 nan 8.150 nan 0.000 0.446 565 T N -1.200 113.253 114.554 -0.168 0.000 2.652 565 T HA -0.256 4.094 4.350 0.000 0.000 0.267 565 T C 1.789 176.487 174.700 -0.003 0.000 1.039 565 T CA 1.754 63.721 62.100 -0.223 0.000 1.153 565 T CB -0.641 67.895 68.868 -0.553 0.000 0.863 565 T HN 0.690 nan 8.240 nan 0.000 0.428 566 Y N 1.945 122.342 120.300 0.161 0.000 2.128 566 Y HA -0.144 4.406 4.550 0.000 0.000 0.284 566 Y C 2.095 177.998 175.900 0.006 0.000 1.154 566 Y CA 1.170 59.414 58.100 0.240 0.000 1.149 566 Y CB -0.568 38.022 38.460 0.216 0.000 0.976 566 Y HN 0.096 nan 8.280 nan 0.000 0.505 567 L N 0.297 121.090 121.223 -0.717 0.000 2.042 567 L HA -0.243 4.097 4.340 0.000 0.000 0.210 567 L C 2.853 179.462 176.870 -0.435 0.000 1.076 567 L CA 1.337 55.683 54.840 -0.824 0.000 0.749 567 L CB -0.846 40.771 42.059 -0.737 0.000 0.893 567 L HN 0.463 nan 8.230 nan 0.000 0.432 568 A N -1.513 121.138 122.820 -0.282 0.000 1.898 568 A HA -0.154 4.166 4.320 0.000 0.000 0.214 568 A C 2.491 180.005 177.584 -0.116 0.000 1.183 568 A CA 1.563 53.492 52.037 -0.181 0.000 0.622 568 A CB -0.548 18.340 19.000 -0.187 0.000 0.824 568 A HN 0.318 nan 8.150 nan 0.000 0.444 569 S N -0.944 114.708 115.700 -0.080 0.000 2.348 569 S HA -0.125 4.345 4.470 0.000 0.000 0.221 569 S C 2.021 176.646 174.600 0.042 0.000 1.033 569 S CA 2.366 60.575 58.200 0.015 0.000 1.010 569 S CB -0.384 62.892 63.200 0.128 0.000 0.891 569 S HN 0.599 nan 8.310 nan 0.000 0.442 570 T N 1.277 115.835 114.554 0.008 0.000 2.925 570 T HA 0.162 4.512 4.350 0.000 0.000 0.245 570 T C 1.442 176.126 174.700 -0.027 0.000 1.025 570 T CA 0.572 62.698 62.100 0.044 0.000 1.149 570 T CB -0.175 68.802 68.868 0.181 0.000 0.866 570 T HN 0.305 nan 8.240 nan 0.000 0.437 571 E N 1.313 121.405 120.200 -0.181 0.000 2.489 571 E HA 0.150 4.500 4.350 0.000 0.000 0.193 571 E C -0.002 176.586 176.600 -0.019 0.000 1.057 571 E CA -0.066 56.266 56.400 -0.114 0.000 0.866 571 E CB -0.423 29.138 29.700 -0.231 0.000 0.916 571 E HN 0.554 nan 8.360 nan 0.000 0.500 572 N N 0.521 119.218 118.700 -0.006 0.000 2.740 572 N HA -0.193 4.547 4.740 0.000 0.000 0.248 572 N C -0.831 174.755 175.510 0.126 0.000 1.062 572 N CA 0.124 53.234 53.050 0.100 0.000 0.704 572 N CB -1.180 37.420 38.487 0.189 0.000 0.968 572 N HN 0.187 nan 8.380 nan 0.000 0.547 573 I N 1.079 121.655 120.570 0.010 0.000 2.359 573 I HA 0.333 4.503 4.170 0.000 0.000 0.294 573 I C 0.638 176.726 176.117 -0.048 0.000 0.987 573 I CA -0.768 60.548 61.300 0.026 0.000 1.225 573 I CB 1.252 39.289 38.000 0.062 0.000 1.366 573 I HN 0.033 nan 8.210 nan 0.000 0.466 574 I N 6.558 127.108 120.570 -0.033 0.000 2.416 574 I HA 0.156 4.327 4.170 0.000 0.000 0.288 574 I C -0.410 175.689 176.117 -0.029 0.000 1.051 574 I CA -0.397 60.842 61.300 -0.101 0.000 1.375 574 I CB 0.747 38.684 38.000 -0.105 0.000 1.407 574 I HN 0.186 nan 8.210 nan 0.000 0.516 575 V N 6.425 126.304 119.914 -0.058 0.000 2.357 575 V HA 0.678 4.798 4.120 0.000 0.000 0.284 575 V C 0.301 176.413 176.094 0.031 0.000 1.018 575 V CA -0.439 61.877 62.300 0.028 0.000 0.841 575 V CB 1.166 32.994 31.823 0.009 0.000 0.991 575 V HN 0.857 nan 8.190 nan 0.000 0.437 576 A N 3.901 126.780 122.820 0.098 0.000 2.380 576 A HA 0.954 5.274 4.320 0.000 0.000 0.315 576 A C -0.274 177.473 177.584 0.272 0.000 1.101 576 A CA -0.531 51.557 52.037 0.084 0.000 0.771 576 A CB 1.876 20.761 19.000 -0.191 0.000 1.287 576 A HN 0.696 nan 8.150 nan 0.000 0.436 577 S N -0.132 115.772 115.700 0.339 0.000 2.570 577 S HA 0.771 5.241 4.470 0.000 0.000 0.286 577 S C -1.444 173.518 174.600 0.603 0.000 1.099 577 S CA -0.318 58.134 58.200 0.421 0.000 0.913 577 S CB 1.375 64.763 63.200 0.313 0.000 1.085 577 S HN 0.738 nan 8.310 nan 0.000 0.480 578 F N 1.711 121.901 119.950 0.401 0.000 2.547 578 F HA 0.469 4.996 4.527 0.000 0.000 0.316 578 F C -1.382 174.613 175.800 0.324 0.000 1.121 578 F CA -0.804 57.448 58.000 0.419 0.000 0.911 578 F CB 1.499 40.706 39.000 0.345 0.000 1.179 578 F HN 0.394 nan 8.300 nan 0.000 0.443 579 D N 4.620 124.860 120.400 -0.266 0.000 2.485 579 D HA 0.337 4.977 4.640 0.000 0.000 0.221 579 D C 0.395 176.500 176.300 -0.325 0.000 1.112 579 D CA 0.147 54.064 54.000 -0.139 0.000 0.911 579 D CB 1.252 42.090 40.800 0.064 0.000 1.019 579 D HN 0.737 nan 8.370 nan 0.000 0.516 580 G N 1.043 109.736 108.800 -0.179 0.000 2.531 580 G HA2 0.301 4.261 3.960 0.000 0.000 0.281 580 G HA3 0.301 4.261 3.960 0.000 0.000 0.281 580 G C 0.131 175.105 174.900 0.123 0.000 1.382 580 G CA -0.789 44.258 45.100 -0.088 0.000 1.045 580 G HN 0.286 nan 8.290 nan 0.000 0.533 581 R N -0.801 119.764 120.500 0.108 0.000 2.583 581 R HA 0.326 4.666 4.340 0.000 0.000 0.274 581 R C 1.330 177.716 176.300 0.143 0.000 0.998 581 R CA 1.562 57.773 56.100 0.186 0.000 1.081 581 R CB 0.280 30.660 30.300 0.133 0.000 0.940 581 R HN 1.092 nan 8.270 nan 0.000 0.413 582 G N 1.184 110.049 108.800 0.108 0.000 2.254 582 G HA2 -0.332 3.628 3.960 0.000 0.000 0.225 582 G HA3 -0.332 3.628 3.960 0.000 0.000 0.225 582 G C 0.141 175.020 174.900 -0.035 0.000 1.003 582 G CA 0.101 45.231 45.100 0.049 0.000 0.622 582 G HN 0.738 nan 8.290 nan 0.000 0.507 583 S N 0.584 116.279 115.700 -0.008 0.000 2.593 583 S HA 0.631 5.101 4.470 0.000 0.000 0.269 583 S C 0.850 175.410 174.600 -0.066 0.000 1.334 583 S CA 0.523 58.701 58.200 -0.036 0.000 1.015 583 S CB 1.766 64.987 63.200 0.035 0.000 0.912 583 S HN 1.678 nan 8.310 nan 0.000 0.541 584 G N -0.554 108.185 108.800 -0.102 0.000 2.552 584 G HA2 0.504 4.464 3.960 0.000 0.000 0.318 584 G HA3 0.504 4.464 3.960 0.000 0.000 0.318 584 G C -0.840 173.973 174.900 -0.146 0.000 1.240 584 G CA -1.102 43.801 45.100 -0.328 0.000 1.002 584 G HN 1.031 nan 8.290 nan 0.000 0.493 585 Y N -2.502 117.781 120.300 -0.028 0.000 4.668 585 Y HA -0.226 4.324 4.550 0.000 0.000 0.234 585 Y C 1.405 177.306 175.900 0.001 0.000 1.056 585 Y CA 1.014 59.110 58.100 -0.007 0.000 2.025 585 Y CB -1.908 36.566 38.460 0.022 0.000 1.613 585 Y HN 0.508 nan 8.280 nan 0.000 0.653 586 Q N 0.223 120.038 119.800 0.025 0.000 2.118 586 Q HA 0.483 4.823 4.340 0.000 0.000 0.219 586 Q C 0.891 176.783 176.000 -0.180 0.000 0.794 586 Q CA 0.236 56.060 55.803 0.036 0.000 1.035 586 Q CB 1.741 30.485 28.738 0.011 0.000 1.177 586 Q HN 0.564 nan 8.270 nan 0.000 0.478 587 G N 0.798 109.360 108.800 -0.396 0.000 2.692 587 G HA2 -0.189 3.772 3.960 0.000 0.000 0.686 587 G HA3 -0.189 3.772 3.960 0.000 0.000 0.686 587 G C -0.421 174.091 174.900 -0.647 0.000 1.243 587 G CA -0.551 44.023 45.100 -0.877 0.000 0.782 587 G HN 0.129 nan 8.290 nan 0.000 0.625 588 D N 0.320 120.308 120.400 -0.688 0.000 2.265 588 D HA -0.063 4.577 4.640 0.000 0.000 0.208 588 D C 2.402 178.388 176.300 -0.523 0.000 0.977 588 D CA 1.344 54.882 54.000 -0.771 0.000 0.871 588 D CB 0.058 40.407 40.800 -0.752 0.000 0.925 588 D HN 0.618 nan 8.370 nan 0.000 0.485 589 K N -0.035 120.123 120.400 -0.403 0.000 2.103 589 K HA -0.082 4.238 4.320 0.000 0.000 0.207 589 K C 2.132 178.631 176.600 -0.168 0.000 1.048 589 K CA 0.736 56.878 56.287 -0.242 0.000 0.930 589 K CB 0.113 32.481 32.500 -0.220 0.000 0.716 589 K HN 0.224 nan 8.250 nan 0.000 0.444 590 I N 0.358 120.812 120.570 -0.193 0.000 2.296 590 I HA -0.184 3.986 4.170 0.000 0.000 0.242 590 I C 2.598 178.677 176.117 -0.063 0.000 1.087 590 I CA 0.656 61.912 61.300 -0.072 0.000 1.393 590 I CB -0.084 37.885 38.000 -0.052 0.000 1.093 590 I HN 0.134 nan 8.210 nan 0.000 0.421 591 M N 0.305 119.794 119.600 -0.186 0.000 2.080 591 M HA -0.246 4.234 4.480 0.000 0.000 0.260 591 M C 2.021 178.325 176.300 0.008 0.000 1.068 591 M CA 1.914 57.126 55.300 -0.147 0.000 1.109 591 M CB -0.262 32.136 32.600 -0.337 0.000 1.342 591 M HN 0.270 nan 8.290 nan 0.000 0.405 592 H N -0.255 118.672 119.070 -0.239 0.000 2.547 592 H HA 0.234 4.790 4.556 0.000 0.000 0.266 592 H C 1.856 177.182 175.328 -0.003 0.000 0.988 592 H CA 0.715 56.624 56.048 -0.231 0.000 1.147 592 H CB -0.638 28.890 29.762 -0.391 0.000 1.365 592 H HN 0.487 nan 8.280 nan 0.000 0.589 593 A N 1.236 124.136 122.820 0.133 0.000 2.024 593 A HA -0.146 4.174 4.320 0.000 0.000 0.220 593 A C 1.796 179.560 177.584 0.300 0.000 1.164 593 A CA 1.582 53.711 52.037 0.153 0.000 0.643 593 A CB -0.591 18.461 19.000 0.086 0.000 0.806 593 A HN 0.372 nan 8.150 nan 0.000 0.451 594 I N -2.376 118.364 120.570 0.283 0.000 3.904 594 I HA 0.178 4.348 4.170 0.000 0.000 0.333 594 I C 0.333 176.552 176.117 0.170 0.000 1.361 594 I CA -0.942 60.501 61.300 0.238 0.000 1.116 594 I CB -1.074 37.033 38.000 0.178 0.000 1.028 594 I HN 0.214 nan 8.210 nan 0.000 0.398 595 N N 3.113 121.961 118.700 0.248 0.000 2.359 595 N HA -0.083 4.657 4.740 0.000 0.000 0.261 595 N C 0.222 175.771 175.510 0.066 0.000 1.267 595 N CA 0.296 53.490 53.050 0.241 0.000 0.864 595 N CB 0.273 38.867 38.487 0.179 0.000 1.063 595 N HN 0.369 nan 8.380 nan 0.000 0.474 596 R N 0.663 121.171 120.500 0.014 0.000 3.994 596 R HA -0.208 4.132 4.340 0.000 0.000 0.403 596 R C -0.075 176.079 176.300 -0.244 0.000 1.126 596 R CA 0.953 57.006 56.100 -0.078 0.000 1.143 596 R CB -1.082 29.192 30.300 -0.043 0.000 1.695 596 R HN 0.600 nan 8.270 nan 0.000 0.555 597 R N 0.561 120.917 120.500 -0.241 0.000 2.648 597 R HA 0.246 4.586 4.340 0.000 0.000 0.341 597 R C -1.036 175.215 176.300 -0.082 0.000 1.154 597 R CA -0.411 55.413 56.100 -0.460 0.000 1.228 597 R CB 0.520 30.621 30.300 -0.332 0.000 1.311 597 R HN -0.091 nan 8.270 nan 0.000 0.659 598 L N 0.172 121.435 121.223 0.066 0.000 2.485 598 L HA 0.294 4.634 4.340 0.000 0.000 0.275 598 L C 1.416 178.570 176.870 0.473 0.000 1.207 598 L CA 1.516 56.467 54.840 0.185 0.000 0.855 598 L CB 0.840 42.775 42.059 -0.207 0.000 1.114 598 L HN 0.625 nan 8.230 nan 0.000 0.485 599 G N 1.102 110.209 108.800 0.511 0.000 2.182 599 G HA2 -0.274 3.687 3.960 0.000 0.000 0.248 599 G HA3 -0.274 3.687 3.960 0.000 0.000 0.248 599 G C 0.502 175.511 174.900 0.182 0.000 1.042 599 G CA 0.869 46.218 45.100 0.415 0.000 0.775 599 G HN 0.947 nan 8.290 nan 0.000 0.501 600 T N -4.015 110.600 114.554 0.101 0.000 3.216 600 T HA 0.461 4.811 4.350 0.000 0.000 0.167 600 T C 1.630 176.298 174.700 -0.053 0.000 0.905 600 T CA 0.934 62.971 62.100 -0.105 0.000 1.042 600 T CB 0.053 68.670 68.868 -0.419 0.000 1.787 600 T HN 0.167 nan 8.240 nan 0.000 0.355 601 F N 3.421 123.429 119.950 0.096 0.000 2.134 601 F HA 0.101 4.629 4.527 0.000 0.000 0.299 601 F C 2.851 178.697 175.800 0.076 0.000 1.097 601 F CA 1.297 59.338 58.000 0.068 0.000 1.264 601 F CB -0.652 38.383 39.000 0.059 0.000 1.001 601 F HN 0.521 nan 8.300 nan 0.000 0.479 602 E N 0.811 121.183 120.200 0.286 0.000 2.153 602 E HA -0.132 4.219 4.350 0.000 0.000 0.194 602 E C 2.127 178.855 176.600 0.213 0.000 0.988 602 E CA 1.519 58.061 56.400 0.236 0.000 0.811 602 E CB -1.015 28.829 29.700 0.239 0.000 0.746 602 E HN 0.294 nan 8.360 nan 0.000 0.466 603 V N 1.704 121.725 119.914 0.179 0.000 2.283 603 V HA -0.213 3.907 4.120 0.000 0.000 0.243 603 V C 2.399 178.541 176.094 0.079 0.000 1.039 603 V CA 2.139 64.499 62.300 0.099 0.000 1.016 603 V CB -0.625 31.215 31.823 0.029 0.000 0.650 603 V HN 0.212 nan 8.190 nan 0.000 0.449 604 E N 0.113 120.369 120.200 0.093 0.000 2.097 604 E HA -0.271 4.079 4.350 0.000 0.000 0.196 604 E C 1.934 178.570 176.600 0.059 0.000 1.000 604 E CA 1.651 58.101 56.400 0.083 0.000 0.804 604 E CB -0.213 29.565 29.700 0.130 0.000 0.740 604 E HN 0.560 nan 8.360 nan 0.000 0.454 605 D N 0.099 120.553 120.400 0.090 0.000 2.219 605 D HA -0.127 4.513 4.640 0.000 0.000 0.205 605 D C 1.956 178.258 176.300 0.003 0.000 0.970 605 D CA 0.716 54.742 54.000 0.044 0.000 0.851 605 D CB -0.047 40.829 40.800 0.127 0.000 0.943 605 D HN 0.133 nan 8.370 nan 0.000 0.488 606 Q N 0.095 119.955 119.800 0.100 0.000 2.119 606 Q HA -0.024 4.316 4.340 0.000 0.000 0.201 606 Q C 2.558 178.608 176.000 0.083 0.000 0.972 606 Q CA 0.486 56.356 55.803 0.111 0.000 0.847 606 Q CB -0.087 28.741 28.738 0.151 0.000 0.903 606 Q HN 0.424 nan 8.270 nan 0.000 0.433 607 I N 0.721 121.352 120.570 0.102 0.000 2.179 607 I HA -0.257 3.913 4.170 0.000 0.000 0.242 607 I C 2.364 178.432 176.117 -0.082 0.000 1.088 607 I CA 1.244 62.640 61.300 0.161 0.000 1.357 607 I CB -0.221 37.862 38.000 0.137 0.000 1.051 607 I HN 0.133 nan 8.210 nan 0.000 0.409 608 E N 1.445 121.540 120.200 -0.175 0.000 2.153 608 E HA -0.177 4.173 4.350 0.000 0.000 0.194 608 E C 2.072 178.339 176.600 -0.554 0.000 0.988 608 E CA 1.425 57.647 56.400 -0.296 0.000 0.811 608 E CB -0.130 29.425 29.700 -0.242 0.000 0.746 608 E HN 0.422 nan 8.360 nan 0.000 0.466 609 A N 0.907 123.245 122.820 -0.803 0.000 1.877 609 A HA -0.091 4.229 4.320 0.000 0.000 0.216 609 A C 2.484 179.271 177.584 -1.329 0.000 1.186 609 A CA 2.205 53.435 52.037 -1.346 0.000 0.620 609 A CB -1.171 17.003 19.000 -1.376 0.000 0.822 609 A HN 0.394 nan 8.150 nan 0.000 0.443 610 A N -0.280 122.145 122.820 -0.659 0.000 1.940 610 A HA -0.185 4.135 4.320 0.000 0.000 0.219 610 A C 2.222 179.559 177.584 -0.412 0.000 1.176 610 A CA 1.568 53.362 52.037 -0.405 0.000 0.631 610 A CB -0.486 18.339 19.000 -0.292 0.000 0.814 610 A HN 0.579 nan 8.150 nan 0.000 0.446 611 R N -0.822 119.434 120.500 -0.407 0.000 2.096 611 R HA -0.116 4.224 4.340 0.000 0.000 0.235 611 R C 2.286 178.394 176.300 -0.321 0.000 1.127 611 R CA 1.358 57.271 56.100 -0.312 0.000 0.968 611 R CB -0.257 29.891 30.300 -0.253 0.000 0.861 611 R HN 0.552 nan 8.270 nan 0.000 0.440 612 Q N -0.187 119.335 119.800 -0.463 0.000 2.123 612 Q HA -0.082 4.258 4.340 0.000 0.000 0.199 612 Q C 2.012 177.840 176.000 -0.287 0.000 0.966 612 Q CA 1.252 56.815 55.803 -0.400 0.000 0.845 612 Q CB -0.108 28.328 28.738 -0.503 0.000 0.907 612 Q HN 0.284 nan 8.270 nan 0.000 0.439 613 F N 1.163 120.931 119.950 -0.304 0.000 2.146 613 F HA -0.090 4.437 4.527 0.000 0.000 0.298 613 F C 2.552 178.130 175.800 -0.370 0.000 1.096 613 F CA 0.750 58.552 58.000 -0.330 0.000 1.275 613 F CB -1.143 37.720 39.000 -0.228 0.000 1.008 613 F HN -0.056 nan 8.300 nan 0.000 0.480 614 S N -0.164 115.463 115.700 -0.122 0.000 2.370 614 S HA -0.225 4.245 4.470 0.000 0.000 0.226 614 S C 2.019 176.503 174.600 -0.193 0.000 1.033 614 S CA 1.266 59.366 58.200 -0.166 0.000 1.011 614 S CB -0.389 62.716 63.200 -0.158 0.000 0.852 614 S HN 0.321 nan 8.310 nan 0.000 0.457 615 K N 0.691 120.981 120.400 -0.184 0.000 2.209 615 K HA 0.054 4.374 4.320 0.000 0.000 0.204 615 K C 1.918 178.416 176.600 -0.171 0.000 1.048 615 K CA 0.954 57.147 56.287 -0.156 0.000 0.940 615 K CB -0.167 32.248 32.500 -0.141 0.000 0.729 615 K HN 0.337 nan 8.250 nan 0.000 0.451 616 M N -1.206 118.237 119.600 -0.261 0.000 2.460 616 M HA -0.038 4.442 4.480 0.000 0.000 0.263 616 M C 1.244 177.304 176.300 -0.400 0.000 1.071 616 M CA 1.271 56.364 55.300 -0.344 0.000 1.096 616 M CB 0.363 32.635 32.600 -0.547 0.000 1.408 616 M HN 0.509 nan 8.290 nan 0.000 0.463 617 G N 0.406 108.987 108.800 -0.364 0.000 2.217 617 G HA2 -0.295 3.665 3.960 0.000 0.000 0.246 617 G HA3 -0.295 3.665 3.960 0.000 0.000 0.246 617 G C 0.494 175.356 174.900 -0.064 0.000 0.990 617 G CA 0.317 45.320 45.100 -0.162 0.000 0.627 617 G HN 0.621 nan 8.290 nan 0.000 0.522 618 F N 0.401 120.407 119.950 0.094 0.000 2.639 618 F HA 0.763 5.290 4.527 0.000 0.000 0.300 618 F C 0.239 176.157 175.800 0.197 0.000 1.109 618 F CA -0.951 57.143 58.000 0.156 0.000 1.335 618 F CB 0.292 39.445 39.000 0.255 0.000 1.014 618 F HN 0.063 nan 8.300 nan 0.000 0.537 619 V N 1.282 121.212 119.914 0.027 0.000 2.459 619 V HA 0.183 4.303 4.120 0.000 0.000 0.295 619 V C -0.652 175.434 176.094 -0.014 0.000 1.029 619 V CA -0.808 61.519 62.300 0.046 0.000 0.874 619 V CB 1.581 33.377 31.823 -0.046 0.000 0.985 619 V HN 0.063 nan 8.190 nan 0.000 0.438 620 D N 3.834 124.220 120.400 -0.024 0.000 2.344 620 D HA 0.086 4.727 4.640 0.000 0.000 0.253 620 D C 1.081 177.328 176.300 -0.089 0.000 1.255 620 D CA 0.029 53.984 54.000 -0.075 0.000 0.894 620 D CB 0.653 41.386 40.800 -0.112 0.000 1.067 620 D HN 0.435 nan 8.370 nan 0.000 0.492 621 N N 3.124 121.774 118.700 -0.083 0.000 2.430 621 N HA -0.140 4.600 4.740 0.000 0.000 0.186 621 N C 1.023 176.488 175.510 -0.076 0.000 1.032 621 N CA 0.759 53.754 53.050 -0.093 0.000 0.893 621 N CB 0.086 38.519 38.487 -0.090 0.000 0.957 621 N HN 0.489 nan 8.380 nan 0.000 0.442 622 K N -0.045 120.319 120.400 -0.061 0.000 2.426 622 K HA 0.188 4.508 4.320 0.000 0.000 0.193 622 K C 0.035 176.631 176.600 -0.005 0.000 1.028 622 K CA 0.272 56.541 56.287 -0.030 0.000 1.047 622 K CB 0.499 32.984 32.500 -0.026 0.000 0.821 622 K HN 0.028 nan 8.250 nan 0.000 0.513 623 R N 1.138 121.604 120.500 -0.057 0.000 2.644 623 R HA 0.339 4.679 4.340 0.000 0.000 0.271 623 R C -1.143 175.094 176.300 -0.105 0.000 1.687 623 R CA -0.146 55.902 56.100 -0.088 0.000 1.655 623 R CB 0.710 30.784 30.300 -0.377 0.000 1.285 623 R HN -0.013 nan 8.270 nan 0.000 0.643 624 I N 1.267 121.912 120.570 0.125 0.000 2.418 624 I HA 0.542 4.712 4.170 0.000 0.000 0.287 624 I C -0.046 176.362 176.117 0.484 0.000 1.008 624 I CA -0.732 60.685 61.300 0.196 0.000 1.104 624 I CB 1.943 39.900 38.000 -0.072 0.000 1.264 624 I HN 0.335 nan 8.210 nan 0.000 0.438 625 A N 6.998 130.216 122.820 0.663 0.000 2.346 625 A HA 0.930 5.250 4.320 0.000 0.000 0.313 625 A C -1.080 176.876 177.584 0.620 0.000 1.140 625 A CA -0.666 51.745 52.037 0.624 0.000 0.826 625 A CB 1.967 21.221 19.000 0.424 0.000 1.332 625 A HN 0.731 nan 8.150 nan 0.000 0.457 626 I N 0.568 121.406 120.570 0.446 0.000 2.656 626 I HA 0.680 4.850 4.170 0.000 0.000 0.292 626 I C -1.806 174.557 176.117 0.410 0.000 1.144 626 I CA -0.536 60.949 61.300 0.308 0.000 1.038 626 I CB 1.537 39.422 38.000 -0.192 0.000 1.244 626 I HN 0.923 nan 8.210 nan 0.000 0.420 627 W N 7.251 128.679 121.300 0.214 0.000 3.118 627 W HA 0.866 5.526 4.660 0.000 0.000 0.328 627 W C -1.489 175.176 176.519 0.243 0.000 1.239 627 W CA -0.974 56.506 57.345 0.225 0.000 1.176 627 W CB 1.211 30.857 29.460 0.309 0.000 1.433 627 W HN 0.840 nan 8.180 nan 0.000 0.562 628 G N 0.803 109.489 108.800 -0.191 0.000 2.519 628 G HA2 0.415 4.376 3.960 0.000 0.000 0.292 628 G HA3 0.415 4.376 3.960 0.000 0.000 0.292 628 G C -2.784 172.028 174.900 -0.147 0.000 1.507 628 G CA -0.756 44.095 45.100 -0.416 0.000 0.806 628 G HN 0.606 nan 8.290 nan 0.000 0.523 629 W N 1.058 122.175 121.300 -0.304 0.000 2.689 629 W HA 0.593 5.253 4.660 0.000 0.000 0.340 629 W C 0.852 177.326 176.519 -0.076 0.000 1.060 629 W CA 0.559 57.811 57.345 -0.155 0.000 1.218 629 W CB 1.743 31.101 29.460 -0.170 0.000 1.410 629 W HN 1.152 nan 8.180 nan 0.000 0.528 630 S N 1.551 117.466 115.700 0.357 0.000 4.140 630 S HA -0.425 4.045 4.470 0.000 0.000 0.618 630 S C 0.824 175.557 174.600 0.221 0.000 1.896 630 S CA 1.559 59.975 58.200 0.361 0.000 4.240 630 S CB -1.563 61.888 63.200 0.418 0.000 0.208 630 S HN 0.751 nan 8.310 nan 0.000 0.487 631 Y N 2.951 123.353 120.300 0.170 0.000 2.224 631 Y HA -0.016 4.535 4.550 0.000 0.000 0.289 631 Y C 2.480 178.587 175.900 0.346 0.000 1.146 631 Y CA 2.125 60.419 58.100 0.323 0.000 1.182 631 Y CB -0.936 37.839 38.460 0.524 0.000 0.983 631 Y HN 0.571 nan 8.280 nan 0.000 0.524 632 G N -0.740 108.332 108.800 0.453 0.000 2.442 632 G HA2 -0.280 3.680 3.960 0.000 0.000 0.219 632 G HA3 -0.280 3.680 3.960 0.000 0.000 0.219 632 G C 1.867 176.857 174.900 0.149 0.000 1.141 632 G CA 0.839 46.109 45.100 0.283 0.000 0.763 632 G HN 0.571 nan 8.290 nan 0.000 0.554 633 G N -0.170 108.701 108.800 0.117 0.000 2.404 633 G HA2 -0.242 3.719 3.960 0.000 0.000 0.215 633 G HA3 -0.242 3.719 3.960 0.000 0.000 0.215 633 G C 1.585 176.524 174.900 0.064 0.000 1.174 633 G CA 1.058 46.194 45.100 0.061 0.000 0.780 633 G HN 0.471 nan 8.290 nan 0.000 0.537 634 Y N 1.150 121.389 120.300 -0.101 0.000 2.097 634 Y HA -0.197 4.353 4.550 0.000 0.000 0.282 634 Y C 2.841 178.679 175.900 -0.104 0.000 1.152 634 Y CA 2.042 60.019 58.100 -0.204 0.000 1.136 634 Y CB -0.249 37.926 38.460 -0.475 0.000 0.975 634 Y HN 0.039 nan 8.280 nan 0.000 0.498 635 V N -0.319 119.541 119.914 -0.089 0.000 2.343 635 V HA -0.311 3.809 4.120 0.000 0.000 0.247 635 V C 2.277 178.295 176.094 -0.127 0.000 1.051 635 V CA 2.324 64.566 62.300 -0.097 0.000 1.036 635 V CB -1.147 30.790 31.823 0.191 0.000 0.654 635 V HN 0.502 nan 8.190 nan 0.000 0.451 636 T N 0.183 114.710 114.554 -0.046 0.000 2.684 636 T HA -0.204 4.147 4.350 0.000 0.000 0.267 636 T C 2.124 176.772 174.700 -0.086 0.000 1.036 636 T CA 2.088 64.157 62.100 -0.051 0.000 1.148 636 T CB -0.280 68.629 68.868 0.069 0.000 0.863 636 T HN 0.555 nan 8.240 nan 0.000 0.436 637 S N 1.057 116.734 115.700 -0.038 0.000 2.368 637 S HA 0.007 4.477 4.470 0.000 0.000 0.224 637 S C 2.138 176.638 174.600 -0.166 0.000 1.029 637 S CA 0.841 59.039 58.200 -0.004 0.000 0.988 637 S CB -0.269 62.982 63.200 0.084 0.000 0.838 637 S HN 0.303 nan 8.310 nan 0.000 0.462 638 M N 1.125 120.543 119.600 -0.304 0.000 2.117 638 M HA -0.040 4.440 4.480 0.000 0.000 0.262 638 M C 2.254 178.385 176.300 -0.281 0.000 1.065 638 M CA 1.131 56.231 55.300 -0.333 0.000 1.114 638 M CB -1.477 30.830 32.600 -0.489 0.000 1.361 638 M HN 0.178 nan 8.290 nan 0.000 0.408 639 V N 0.742 120.489 119.914 -0.279 0.000 2.295 639 V HA -0.252 3.868 4.120 0.000 0.000 0.246 639 V C 2.497 178.380 176.094 -0.352 0.000 1.049 639 V CA 1.498 63.626 62.300 -0.287 0.000 1.024 639 V CB -0.689 30.898 31.823 -0.392 0.000 0.648 639 V HN 0.418 nan 8.190 nan 0.000 0.447 640 L N 0.343 121.285 121.223 -0.469 0.000 2.362 640 L HA -0.025 4.315 4.340 0.000 0.000 0.219 640 L C 2.114 178.332 176.870 -1.086 0.000 1.134 640 L CA 1.291 55.734 54.840 -0.661 0.000 0.807 640 L CB -0.620 41.035 42.059 -0.675 0.000 0.927 640 L HN 0.478 nan 8.230 nan 0.000 0.447 641 G N -1.505 106.737 108.800 -0.930 0.000 3.233 641 G HA2 -0.024 3.937 3.960 0.000 0.000 0.234 641 G HA3 -0.024 3.937 3.960 0.000 0.000 0.234 641 G C 1.460 176.184 174.900 -0.293 0.000 1.137 641 G CA 0.551 45.242 45.100 -0.680 0.000 0.763 641 G HN 0.392 nan 8.290 nan 0.000 0.549 642 S N -0.552 115.001 115.700 -0.246 0.000 2.470 642 S HA 0.294 4.764 4.470 0.000 0.000 0.225 642 S C 1.975 176.522 174.600 -0.088 0.000 1.006 642 S CA 1.125 59.248 58.200 -0.128 0.000 0.934 642 S CB -0.134 63.012 63.200 -0.090 0.000 0.778 642 S HN 1.378 nan 8.310 nan 0.000 0.517 643 G N 1.305 110.043 108.800 -0.103 0.000 2.143 643 G HA2 -0.340 3.620 3.960 0.000 0.000 0.248 643 G HA3 -0.340 3.620 3.960 0.000 0.000 0.248 643 G C 0.997 175.881 174.900 -0.026 0.000 0.991 643 G CA 1.006 46.070 45.100 -0.060 0.000 0.689 643 G HN 1.278 nan 8.290 nan 0.000 0.522 644 S N -0.557 115.139 115.700 -0.006 0.000 2.399 644 S HA 0.270 4.740 4.470 0.000 0.000 0.231 644 S C 2.553 177.154 174.600 0.001 0.000 1.022 644 S CA 1.818 60.025 58.200 0.012 0.000 0.983 644 S CB -0.330 62.902 63.200 0.054 0.000 0.803 644 S HN 2.446 nan 8.310 nan 0.000 0.480 645 G N -0.268 108.542 108.800 0.017 0.000 2.159 645 G HA2 -0.251 3.709 3.960 0.000 0.000 0.256 645 G HA3 -0.251 3.709 3.960 0.000 0.000 0.256 645 G C 0.659 175.541 174.900 -0.030 0.000 0.977 645 G CA 0.345 45.446 45.100 0.002 0.000 0.652 645 G HN 0.668 nan 8.290 nan 0.000 0.531 646 V N -0.548 119.328 119.914 -0.062 0.000 2.535 646 V HA 0.306 4.426 4.120 0.000 0.000 0.246 646 V C 1.175 177.041 176.094 -0.380 0.000 1.045 646 V CA 1.361 63.483 62.300 -0.297 0.000 1.058 646 V CB -0.275 31.229 31.823 -0.532 0.000 0.689 646 V HN 0.301 nan 8.190 nan 0.000 0.461 647 F N 0.036 119.999 119.950 0.022 0.000 2.421 647 F HA 0.388 4.915 4.527 0.000 0.000 0.337 647 F C 1.117 176.963 175.800 0.078 0.000 1.105 647 F CA -0.394 57.648 58.000 0.070 0.000 1.049 647 F CB 1.302 40.346 39.000 0.074 0.000 1.139 647 F HN -0.237 nan 8.300 nan 0.000 0.479 648 K N 1.577 122.145 120.400 0.281 0.000 2.098 648 K HA 0.097 4.418 4.320 0.000 0.000 0.203 648 K C 0.012 176.757 176.600 0.241 0.000 1.051 648 K CA 0.924 57.340 56.287 0.215 0.000 0.957 648 K CB 0.269 32.894 32.500 0.209 0.000 0.738 648 K HN 0.812 nan 8.250 nan 0.000 0.447 649 c N -2.773 116.013 118.600 0.311 0.000 3.332 649 c HA 0.915 5.486 4.570 0.000 0.000 0.329 649 c C -0.170 174.170 174.090 0.417 0.000 1.434 649 c CA -0.489 56.050 56.329 0.351 0.000 1.314 649 c CB 1.144 43.792 42.510 0.230 0.000 1.664 649 c HN 0.399 nan 8.230 nan 0.000 0.457 650 G N -0.149 108.964 108.800 0.523 0.000 2.523 650 G HA2 0.675 4.635 3.960 0.000 0.000 0.291 650 G HA3 0.675 4.635 3.960 0.000 0.000 0.291 650 G C -2.132 172.975 174.900 0.345 0.000 1.450 650 G CA -0.687 44.679 45.100 0.443 0.000 0.790 650 G HN 1.043 nan 8.290 nan 0.000 0.496 651 I N 0.749 121.486 120.570 0.279 0.000 2.478 651 I HA 0.594 4.765 4.170 0.000 0.000 0.287 651 I C 0.185 176.406 176.117 0.174 0.000 1.042 651 I CA -0.919 60.427 61.300 0.076 0.000 1.067 651 I CB 2.112 40.157 38.000 0.075 0.000 1.233 651 I HN 0.688 nan 8.210 nan 0.000 0.431 652 A N 6.588 129.421 122.820 0.022 0.000 2.288 652 A HA 0.812 5.132 4.320 0.000 0.000 0.320 652 A C -0.675 176.818 177.584 -0.151 0.000 1.217 652 A CA -0.498 51.558 52.037 0.032 0.000 0.840 652 A CB 1.128 20.220 19.000 0.153 0.000 1.179 652 A HN 0.447 nan 8.150 nan 0.000 0.504 653 V N 1.993 121.758 119.914 -0.249 0.000 2.448 653 V HA 0.579 4.699 4.120 0.000 0.000 0.295 653 V C 0.888 176.561 176.094 -0.702 0.000 1.025 653 V CA 0.180 62.103 62.300 -0.629 0.000 0.859 653 V CB 0.862 31.985 31.823 -1.166 0.000 0.988 653 V HN 2.072 nan 8.190 nan 0.000 0.431 654 A N 5.533 127.931 122.820 -0.703 0.000 2.364 654 A HA -0.108 4.212 4.320 0.000 0.000 0.288 654 A C -1.854 175.609 177.584 -0.203 0.000 1.433 654 A CA 0.410 51.982 52.037 -0.775 0.000 0.757 654 A CB -1.543 17.125 19.000 -0.553 0.000 1.098 654 A HN 0.609 nan 8.150 nan 0.000 0.380 655 P HA 0.417 nan 4.420 nan 0.000 0.277 655 P C 0.260 177.547 177.300 -0.021 0.000 1.240 655 P CA -0.241 62.853 63.100 -0.011 0.000 0.798 655 P CB 1.183 32.894 31.700 0.017 0.000 0.979 656 V N 2.184 121.995 119.914 -0.171 0.000 2.715 656 V HA 0.050 4.170 4.120 0.000 0.000 0.299 656 V C 1.792 177.755 176.094 -0.219 0.000 1.054 656 V CA 1.129 63.196 62.300 -0.389 0.000 1.077 656 V CB 0.656 31.839 31.823 -1.066 0.000 0.972 656 V HN 0.848 nan 8.190 nan 0.000 0.484 657 S N 3.980 119.570 115.700 -0.185 0.000 2.665 657 S HA 0.245 4.716 4.470 0.000 0.000 0.240 657 S C 0.489 174.966 174.600 -0.205 0.000 1.081 657 S CA -0.364 57.785 58.200 -0.085 0.000 0.887 657 S CB 0.346 63.553 63.200 0.012 0.000 0.805 657 S HN 0.832 nan 8.310 nan 0.000 0.486 658 R N -1.356 118.911 120.500 -0.390 0.000 2.668 658 R HA 0.531 4.871 4.340 0.000 0.000 0.272 658 R C -0.870 175.137 176.300 -0.488 0.000 1.019 658 R CA -0.972 54.831 56.100 -0.495 0.000 0.894 658 R CB 0.159 30.154 30.300 -0.509 0.000 1.228 658 R HN 0.176 nan 8.270 nan 0.000 0.460 659 W N 0.866 122.108 121.300 -0.096 0.000 2.519 659 W HA 0.050 4.710 4.660 0.000 0.000 0.266 659 W C 1.126 177.804 176.519 0.265 0.000 1.253 659 W CA 0.471 57.844 57.345 0.047 0.000 1.274 659 W CB 0.229 29.619 29.460 -0.116 0.000 1.114 659 W HN 0.744 nan 8.180 nan 0.000 0.596 660 E N -0.781 119.633 120.200 0.357 0.000 2.333 660 E HA -0.205 4.146 4.350 0.000 0.000 0.198 660 E C 1.273 178.050 176.600 0.294 0.000 1.007 660 E CA 1.069 57.606 56.400 0.229 0.000 0.845 660 E CB -0.371 29.348 29.700 0.032 0.000 0.766 660 E HN 0.348 nan 8.360 nan 0.000 0.507 661 Y N -1.646 118.774 120.300 0.199 0.000 2.523 661 Y HA 0.119 4.669 4.550 0.000 0.000 0.279 661 Y C 0.544 176.565 175.900 0.203 0.000 1.139 661 Y CA -0.440 57.744 58.100 0.141 0.000 1.296 661 Y CB -0.363 38.127 38.460 0.050 0.000 1.045 661 Y HN 0.018 nan 8.280 nan 0.000 0.538 662 Y N 1.690 122.179 120.300 0.315 0.000 2.458 662 Y HA 0.320 4.870 4.550 0.000 0.000 0.322 662 Y C 0.147 176.285 175.900 0.397 0.000 1.259 662 Y CA -2.207 56.083 58.100 0.316 0.000 1.302 662 Y CB 0.473 39.151 38.460 0.362 0.000 1.314 662 Y HN 0.164 nan 8.280 nan 0.000 0.509 663 D N -0.431 119.678 120.400 -0.485 0.000 2.382 663 D HA 0.104 4.745 4.640 0.000 0.000 0.240 663 D C 0.931 177.209 176.300 -0.037 0.000 1.146 663 D CA 0.348 54.143 54.000 -0.341 0.000 0.897 663 D CB 1.014 41.394 40.800 -0.701 0.000 1.197 663 D HN 0.494 nan 8.370 nan 0.000 0.432 664 S N 1.314 117.005 115.700 -0.015 0.000 2.359 664 S HA -0.226 4.244 4.470 0.000 0.000 0.224 664 S C 1.864 176.489 174.600 0.041 0.000 1.035 664 S CA 1.161 59.403 58.200 0.071 0.000 1.018 664 S CB -0.945 62.305 63.200 0.084 0.000 0.876 664 S HN 0.432 nan 8.310 nan 0.000 0.448 665 V N 0.838 120.716 119.914 -0.061 0.000 2.261 665 V HA -0.163 3.957 4.120 0.000 0.000 0.246 665 V C 2.310 178.322 176.094 -0.136 0.000 1.047 665 V CA 2.206 64.378 62.300 -0.214 0.000 1.015 665 V CB -1.100 30.445 31.823 -0.464 0.000 0.642 665 V HN 0.594 nan 8.190 nan 0.000 0.446 666 Y N 1.284 121.527 120.300 -0.094 0.000 2.133 666 Y HA -0.245 4.305 4.550 0.000 0.000 0.287 666 Y C 2.722 178.612 175.900 -0.017 0.000 1.134 666 Y CA 2.390 60.514 58.100 0.040 0.000 1.133 666 Y CB -0.531 38.154 38.460 0.376 0.000 0.987 666 Y HN 0.221 nan 8.280 nan 0.000 0.502 667 T N 0.213 114.928 114.554 0.269 0.000 2.737 667 T HA -0.174 4.177 4.350 0.000 0.000 0.265 667 T C 1.522 176.161 174.700 -0.101 0.000 1.038 667 T CA 1.892 64.097 62.100 0.176 0.000 1.144 667 T CB -0.248 68.893 68.868 0.455 0.000 0.866 667 T HN 0.440 nan 8.240 nan 0.000 0.434 668 E N 0.493 120.665 120.200 -0.046 0.000 2.285 668 E HA 0.009 4.359 4.350 0.000 0.000 0.194 668 E C 2.316 178.785 176.600 -0.218 0.000 0.997 668 E CA 0.138 56.517 56.400 -0.034 0.000 0.845 668 E CB -0.052 29.685 29.700 0.062 0.000 0.782 668 E HN 0.301 nan 8.360 nan 0.000 0.491 669 R N 0.186 120.388 120.500 -0.496 0.000 2.117 669 R HA -0.199 4.141 4.340 0.000 0.000 0.243 669 R C 1.172 176.930 176.300 -0.904 0.000 1.143 669 R CA 1.642 57.258 56.100 -0.807 0.000 0.968 669 R CB 0.028 29.497 30.300 -1.384 0.000 0.863 669 R HN 0.257 nan 8.270 nan 0.000 0.444 670 Y N -2.406 117.570 120.300 -0.540 0.000 2.535 670 Y HA 0.199 4.749 4.550 0.000 0.000 0.266 670 Y C 1.843 177.546 175.900 -0.328 0.000 1.088 670 Y CA 0.022 57.793 58.100 -0.549 0.000 1.285 670 Y CB 0.266 38.257 38.460 -0.782 0.000 1.166 670 Y HN -0.072 nan 8.280 nan 0.000 0.525 671 M N -0.356 119.120 119.600 -0.207 0.000 2.414 671 M HA 0.340 4.820 4.480 0.000 0.000 0.251 671 M C 1.209 177.526 176.300 0.029 0.000 1.116 671 M CA 0.869 56.050 55.300 -0.199 0.000 1.056 671 M CB -0.477 31.806 32.600 -0.529 0.000 1.388 671 M HN 0.398 nan 8.290 nan 0.000 0.487 672 G N 1.881 110.708 108.800 0.046 0.000 2.552 672 G HA2 -0.263 3.697 3.960 0.000 0.000 0.265 672 G HA3 -0.263 3.697 3.960 0.000 0.000 0.265 672 G C -0.440 174.595 174.900 0.225 0.000 1.234 672 G CA -0.542 44.626 45.100 0.114 0.000 0.944 672 G HN 0.367 nan 8.290 nan 0.000 0.568 673 L N 1.790 123.119 121.223 0.177 0.000 2.331 673 L HA 0.513 4.854 4.340 0.000 0.000 0.275 673 L C -1.762 175.087 176.870 -0.035 0.000 1.022 673 L CA -1.957 52.931 54.840 0.079 0.000 0.812 673 L CB 2.380 44.452 42.059 0.021 0.000 1.257 673 L HN 0.412 nan 8.230 nan 0.000 0.435 674 P HA 0.095 nan 4.420 nan 0.000 0.212 674 P C -0.608 176.550 177.300 -0.236 0.000 1.816 674 P CA -0.183 62.523 63.100 -0.656 0.000 0.944 674 P CB -0.391 30.628 31.700 -1.135 0.000 1.896 675 T N -3.047 111.450 114.554 -0.095 0.000 2.885 675 T HA 0.467 4.817 4.350 0.000 0.000 0.285 675 T C -2.185 172.513 174.700 -0.002 0.000 1.019 675 T CA -2.616 59.459 62.100 -0.042 0.000 1.010 675 T CB 1.812 70.665 68.868 -0.026 0.000 1.022 675 T HN -0.285 nan 8.240 nan 0.000 0.466 676 P HA -0.150 nan 4.420 nan 0.000 0.218 676 P C 1.272 178.586 177.300 0.024 0.000 1.146 676 P CA 1.033 64.144 63.100 0.018 0.000 0.813 676 P CB 0.118 31.825 31.700 0.012 0.000 0.778 677 E N -1.892 118.318 120.200 0.017 0.000 2.479 677 E HA 0.006 4.356 4.350 0.000 0.000 0.193 677 E C 0.650 177.265 176.600 0.026 0.000 1.049 677 E CA 0.450 56.861 56.400 0.019 0.000 0.870 677 E CB -0.122 29.584 29.700 0.010 0.000 0.944 677 E HN 0.213 nan 8.360 nan 0.000 0.492 678 D N 0.923 121.346 120.400 0.038 0.000 3.028 678 D HA 0.056 4.696 4.640 0.000 0.000 0.205 678 D C 0.122 176.477 176.300 0.092 0.000 1.489 678 D CA 0.059 54.092 54.000 0.056 0.000 1.452 678 D CB 0.053 40.884 40.800 0.053 0.000 1.052 678 D HN 0.045 nan 8.370 nan 0.000 0.221 679 N N 0.054 118.840 118.700 0.143 0.000 2.390 679 N HA 0.108 4.848 4.740 0.000 0.000 0.259 679 N C 0.738 176.462 175.510 0.357 0.000 1.395 679 N CA -0.047 53.144 53.050 0.236 0.000 0.852 679 N CB 0.351 38.997 38.487 0.265 0.000 1.371 679 N HN 0.091 nan 8.380 nan 0.000 0.491 680 L N 0.374 121.712 121.223 0.191 0.000 2.042 680 L HA -0.052 4.288 4.340 0.000 0.000 0.210 680 L C 1.179 178.167 176.870 0.197 0.000 1.076 680 L CA 1.965 56.891 54.840 0.143 0.000 0.749 680 L CB -0.294 41.783 42.059 0.031 0.000 0.893 680 L HN 0.109 nan 8.230 nan 0.000 0.432 681 D N -1.223 119.274 120.400 0.162 0.000 2.106 681 D HA -0.282 4.359 4.640 0.000 0.000 0.191 681 D C 2.100 178.501 176.300 0.167 0.000 0.997 681 D CA 1.996 56.079 54.000 0.139 0.000 0.834 681 D CB -0.253 40.619 40.800 0.119 0.000 0.956 681 D HN 0.589 nan 8.370 nan 0.000 0.448 682 H N -1.188 117.956 119.070 0.123 0.000 2.428 682 H HA -0.034 4.522 4.556 0.000 0.000 0.296 682 H C 1.748 177.149 175.328 0.121 0.000 1.062 682 H CA 1.111 57.211 56.048 0.088 0.000 1.350 682 H CB -0.253 29.529 29.762 0.032 0.000 1.403 682 H HN 0.154 nan 8.280 nan 0.000 0.533 683 Y N 0.426 120.757 120.300 0.051 0.000 2.128 683 Y HA -0.228 4.322 4.550 0.000 0.000 0.284 683 Y C 2.478 178.365 175.900 -0.022 0.000 1.154 683 Y CA 1.615 59.745 58.100 0.050 0.000 1.149 683 Y CB 0.056 38.564 38.460 0.080 0.000 0.976 683 Y HN 0.134 nan 8.280 nan 0.000 0.505 684 R N -0.083 120.504 120.500 0.144 0.000 2.115 684 R HA -0.098 4.242 4.340 0.000 0.000 0.230 684 R C 1.434 177.730 176.300 -0.008 0.000 1.111 684 R CA 1.136 57.267 56.100 0.052 0.000 0.976 684 R CB -0.797 29.534 30.300 0.051 0.000 0.870 684 R HN 0.383 nan 8.270 nan 0.000 0.445 685 N N 0.082 118.749 118.700 -0.054 0.000 2.446 685 N HA -0.069 4.672 4.740 0.000 0.000 0.179 685 N C 0.869 176.288 175.510 -0.151 0.000 1.054 685 N CA 0.910 53.905 53.050 -0.091 0.000 0.905 685 N CB 0.161 38.613 38.487 -0.058 0.000 0.973 685 N HN 0.159 nan 8.380 nan 0.000 0.448 686 S N -1.122 114.448 115.700 -0.216 0.000 2.583 686 S HA 0.110 4.580 4.470 0.000 0.000 0.239 686 S C 0.550 175.192 174.600 0.071 0.000 0.966 686 S CA -0.682 57.462 58.200 -0.093 0.000 0.973 686 S CB -0.737 62.377 63.200 -0.142 0.000 0.794 686 S HN 0.216 nan 8.310 nan 0.000 0.463 687 T N -1.302 113.248 114.554 -0.006 0.000 2.913 687 T HA 0.456 4.806 4.350 0.000 0.000 0.287 687 T C 1.302 175.984 174.700 -0.030 0.000 1.008 687 T CA -0.163 61.922 62.100 -0.025 0.000 1.067 687 T CB 1.509 70.335 68.868 -0.071 0.000 0.996 687 T HN 0.365 nan 8.240 nan 0.000 0.513 688 V N 2.565 122.453 119.914 -0.043 0.000 2.548 688 V HA -0.038 4.083 4.120 0.000 0.000 0.249 688 V C 2.253 178.318 176.094 -0.049 0.000 1.055 688 V CA 1.500 63.766 62.300 -0.057 0.000 1.065 688 V CB -1.096 30.683 31.823 -0.073 0.000 0.681 688 V HN 0.886 nan 8.190 nan 0.000 0.462 689 M N 2.261 121.817 119.600 -0.073 0.000 2.106 689 M HA -0.172 4.308 4.480 0.000 0.000 0.259 689 M C 2.475 178.749 176.300 -0.042 0.000 1.068 689 M CA 2.587 57.842 55.300 -0.076 0.000 1.100 689 M CB -1.001 31.566 32.600 -0.056 0.000 1.351 689 M HN 0.734 nan 8.290 nan 0.000 0.404 690 S N -0.084 115.599 115.700 -0.028 0.000 2.440 690 S HA -0.151 4.319 4.470 0.000 0.000 0.238 690 S C 1.793 176.394 174.600 0.002 0.000 1.010 690 S CA 1.033 59.224 58.200 -0.014 0.000 0.972 690 S CB -0.592 62.598 63.200 -0.017 0.000 0.774 690 S HN 0.570 nan 8.310 nan 0.000 0.501 691 R N 0.638 121.150 120.500 0.020 0.000 2.334 691 R HA 0.448 4.788 4.340 0.000 0.000 0.216 691 R C 2.366 178.760 176.300 0.157 0.000 0.905 691 R CA 0.445 56.580 56.100 0.059 0.000 1.064 691 R CB -0.365 29.961 30.300 0.043 0.000 1.046 691 R HN 0.466 nan 8.270 nan 0.000 0.508 692 A N 2.148 125.023 122.820 0.091 0.000 1.896 692 A HA -0.340 3.980 4.320 0.000 0.000 0.220 692 A C 2.096 179.768 177.584 0.147 0.000 1.206 692 A CA 2.216 54.280 52.037 0.045 0.000 0.647 692 A CB -0.450 18.504 19.000 -0.077 0.000 0.828 692 A HN 0.362 nan 8.150 nan 0.000 0.455 693 E N 0.254 120.508 120.200 0.090 0.000 2.171 693 E HA -0.210 4.140 4.350 0.000 0.000 0.197 693 E C 1.567 178.224 176.600 0.096 0.000 0.997 693 E CA 1.724 58.171 56.400 0.079 0.000 0.810 693 E CB -0.271 29.456 29.700 0.045 0.000 0.738 693 E HN 0.590 nan 8.360 nan 0.000 0.467 694 N N -0.581 118.172 118.700 0.087 0.000 2.512 694 N HA -0.080 4.660 4.740 0.000 0.000 0.183 694 N C 0.636 176.123 175.510 -0.038 0.000 1.073 694 N CA 0.508 53.557 53.050 -0.002 0.000 0.911 694 N CB -0.181 38.256 38.487 -0.083 0.000 0.964 694 N HN 0.238 nan 8.380 nan 0.000 0.447 695 F N 1.260 121.166 119.950 -0.074 0.000 2.699 695 F HA 0.080 4.607 4.527 0.000 0.000 0.298 695 F C 1.907 177.713 175.800 0.011 0.000 1.154 695 F CA 0.496 58.449 58.000 -0.078 0.000 1.457 695 F CB 0.096 38.999 39.000 -0.162 0.000 1.106 695 F HN -0.072 nan 8.300 nan 0.000 0.585 696 K N 0.013 120.515 120.400 0.171 0.000 2.281 696 K HA -0.196 4.124 4.320 0.000 0.000 0.203 696 K C 1.550 178.211 176.600 0.102 0.000 1.046 696 K CA 1.174 57.540 56.287 0.132 0.000 0.938 696 K CB -0.177 32.380 32.500 0.095 0.000 0.737 696 K HN 0.439 nan 8.250 nan 0.000 0.458 697 Q N 0.208 120.048 119.800 0.066 0.000 2.392 697 Q HA 0.031 4.371 4.340 0.000 0.000 0.203 697 Q C 0.381 176.424 176.000 0.071 0.000 0.917 697 Q CA 0.112 55.945 55.803 0.051 0.000 0.939 697 Q CB 0.658 29.405 28.738 0.016 0.000 1.063 697 Q HN 0.131 nan 8.270 nan 0.000 0.516 698 V N -2.726 117.247 119.914 0.097 0.000 3.074 698 V HA 0.525 4.646 4.120 0.000 0.000 0.314 698 V C -1.091 175.155 176.094 0.253 0.000 1.117 698 V CA -1.259 61.128 62.300 0.145 0.000 1.014 698 V CB 2.347 34.214 31.823 0.072 0.000 1.057 698 V HN -0.081 nan 8.190 nan 0.000 0.438 699 E N 1.417 121.802 120.200 0.307 0.000 2.156 699 E HA 0.558 4.908 4.350 0.000 0.000 0.279 699 E C -1.838 175.154 176.600 0.653 0.000 0.965 699 E CA -0.355 56.302 56.400 0.428 0.000 0.789 699 E CB 1.762 31.643 29.700 0.302 0.000 1.098 699 E HN 0.706 nan 8.360 nan 0.000 0.397 700 Y N 3.410 123.987 120.300 0.462 0.000 2.406 700 Y HA 0.500 5.050 4.550 0.000 0.000 0.340 700 Y C -1.958 173.999 175.900 0.095 0.000 0.975 700 Y CA -1.461 56.827 58.100 0.314 0.000 1.056 700 Y CB 1.101 39.791 38.460 0.382 0.000 1.210 700 Y HN 0.443 nan 8.280 nan 0.000 0.448 701 L N 7.534 128.394 121.223 -0.605 0.000 2.349 701 L HA 0.642 4.982 4.340 0.000 0.000 0.278 701 L C -2.188 174.207 176.870 -0.792 0.000 0.996 701 L CA -0.773 53.609 54.840 -0.764 0.000 0.825 701 L CB 1.391 42.715 42.059 -1.225 0.000 1.243 701 L HN 0.649 nan 8.230 nan 0.000 0.412 702 L N 6.563 127.419 121.223 -0.612 0.000 2.313 702 L HA 0.702 5.042 4.340 0.000 0.000 0.283 702 L C -1.119 175.630 176.870 -0.202 0.000 1.013 702 L CA 0.010 54.564 54.840 -0.477 0.000 0.816 702 L CB 1.199 43.020 42.059 -0.396 0.000 1.236 702 L HN 0.606 nan 8.230 nan 0.000 0.419 703 I N 4.449 124.914 120.570 -0.176 0.000 2.582 703 I HA 0.468 4.638 4.170 0.000 0.000 0.292 703 I C -1.200 174.903 176.117 -0.022 0.000 1.066 703 I CA -0.652 60.602 61.300 -0.076 0.000 1.053 703 I CB 2.071 39.985 38.000 -0.143 0.000 1.241 703 I HN 0.671 nan 8.210 nan 0.000 0.421 704 H N 2.246 121.382 119.070 0.111 0.000 3.086 704 H HA 0.473 5.030 4.556 0.000 0.000 0.353 704 H C -0.317 175.257 175.328 0.409 0.000 1.134 704 H CA -0.604 55.563 56.048 0.199 0.000 1.248 704 H CB 1.926 31.763 29.762 0.125 0.000 1.878 704 H HN 0.744 nan 8.280 nan 0.000 0.527 705 G N 0.944 110.094 108.800 0.583 0.000 2.403 705 G HA2 0.204 4.164 3.960 0.000 0.000 0.259 705 G HA3 0.204 4.164 3.960 0.000 0.000 0.259 705 G C 1.138 176.332 174.900 0.490 0.000 1.244 705 G CA 0.176 45.581 45.100 0.509 0.000 0.849 705 G HN 0.743 nan 8.290 nan 0.000 0.532 706 T N -0.776 113.923 114.554 0.242 0.000 3.023 706 T HA 0.130 4.480 4.350 0.000 0.000 0.266 706 T C 1.728 176.434 174.700 0.011 0.000 1.093 706 T CA 1.207 63.284 62.100 -0.039 0.000 1.129 706 T CB 0.200 68.976 68.868 -0.152 0.000 0.899 706 T HN 0.675 nan 8.240 nan 0.000 0.491 707 A N 1.021 123.917 122.820 0.126 0.000 2.577 707 A HA 0.304 4.624 4.320 0.000 0.000 0.280 707 A C 0.449 178.039 177.584 0.009 0.000 1.331 707 A CA -0.484 51.629 52.037 0.127 0.000 0.935 707 A CB -0.315 19.016 19.000 0.552 0.000 1.082 707 A HN 0.362 nan 8.150 nan 0.000 0.525 708 D N 1.693 122.104 120.400 0.019 0.000 2.348 708 D HA -0.020 4.620 4.640 0.000 0.000 0.259 708 D C 0.426 176.706 176.300 -0.034 0.000 1.296 708 D CA 0.180 54.283 54.000 0.172 0.000 0.931 708 D CB 0.586 41.645 40.800 0.433 0.000 1.067 708 D HN 0.569 nan 8.370 nan 0.000 0.503 709 D N 2.142 122.581 120.400 0.065 0.000 2.317 709 D HA -0.130 4.510 4.640 0.000 0.000 0.211 709 D C 1.085 177.386 176.300 0.001 0.000 0.966 709 D CA 0.276 54.267 54.000 -0.016 0.000 0.876 709 D CB 0.229 40.948 40.800 -0.136 0.000 0.927 709 D HN 0.442 nan 8.370 nan 0.000 0.519 710 N N 0.012 118.814 118.700 0.169 0.000 2.335 710 N HA -0.033 4.707 4.740 0.000 0.000 0.197 710 N C -0.193 175.287 175.510 -0.050 0.000 1.045 710 N CA 0.204 53.394 53.050 0.233 0.000 0.928 710 N CB 0.668 39.279 38.487 0.207 0.000 1.118 710 N HN -0.174 nan 8.380 nan 0.000 0.471 711 V N 2.279 122.185 119.914 -0.013 0.000 2.334 711 V HA 0.196 4.317 4.120 0.000 0.000 0.267 711 V C -0.880 175.299 176.094 0.141 0.000 1.040 711 V CA -0.343 61.990 62.300 0.056 0.000 0.866 711 V CB 0.130 32.042 31.823 0.150 0.000 1.019 711 V HN 0.343 nan 8.190 nan 0.000 0.468 712 H N 3.550 122.617 119.070 -0.006 0.000 2.897 712 H HA 0.011 4.567 4.556 0.000 0.000 0.347 712 H C 0.790 175.961 175.328 -0.262 0.000 1.068 712 H CA -0.111 55.839 56.048 -0.164 0.000 1.426 712 H CB 0.752 30.331 29.762 -0.305 0.000 1.410 712 H HN 0.650 nan 8.280 nan 0.000 0.597 713 F N 2.253 121.994 119.950 -0.348 0.000 2.184 713 F HA -0.339 4.188 4.527 0.000 0.000 0.301 713 F C 2.604 178.120 175.800 -0.474 0.000 1.076 713 F CA 1.928 59.519 58.000 -0.682 0.000 1.295 713 F CB -0.195 38.607 39.000 -0.329 0.000 1.026 713 F HN 0.682 nan 8.300 nan 0.000 0.494 714 Q N 0.193 119.844 119.800 -0.248 0.000 2.182 714 Q HA -0.335 4.005 4.340 0.000 0.000 0.213 714 Q C 2.041 177.804 176.000 -0.396 0.000 1.000 714 Q CA 2.417 58.034 55.803 -0.310 0.000 0.889 714 Q CB -0.412 28.132 28.738 -0.324 0.000 0.932 714 Q HN 0.628 nan 8.270 nan 0.000 0.415 715 Q N -0.346 119.261 119.800 -0.323 0.000 2.084 715 Q HA -0.108 4.232 4.340 0.000 0.000 0.202 715 Q C 2.262 178.165 176.000 -0.161 0.000 0.978 715 Q CA 1.740 57.477 55.803 -0.111 0.000 0.844 715 Q CB -0.032 28.733 28.738 0.046 0.000 0.898 715 Q HN 0.361 nan 8.270 nan 0.000 0.426 716 S N 0.869 116.359 115.700 -0.350 0.000 2.414 716 S HA -0.005 4.466 4.470 0.000 0.000 0.227 716 S C 2.087 176.440 174.600 -0.411 0.000 1.022 716 S CA 0.698 58.697 58.200 -0.334 0.000 0.958 716 S CB -0.108 62.905 63.200 -0.312 0.000 0.797 716 S HN 0.457 nan 8.310 nan 0.000 0.493 717 A N 1.568 124.029 122.820 -0.599 0.000 1.940 717 A HA -0.154 4.166 4.320 0.000 0.000 0.219 717 A C 2.128 179.610 177.584 -0.171 0.000 1.176 717 A CA 1.215 53.047 52.037 -0.340 0.000 0.631 717 A CB -0.411 18.441 19.000 -0.246 0.000 0.814 717 A HN 0.367 nan 8.150 nan 0.000 0.446 718 Q N -0.624 119.082 119.800 -0.157 0.000 2.187 718 Q HA 0.043 4.384 4.340 0.000 0.000 0.199 718 Q C 2.091 178.042 176.000 -0.083 0.000 0.957 718 Q CA 0.871 56.638 55.803 -0.060 0.000 0.857 718 Q CB -0.262 28.515 28.738 0.067 0.000 0.929 718 Q HN 0.789 nan 8.270 nan 0.000 0.453 719 I N 1.138 121.629 120.570 -0.131 0.000 2.202 719 I HA -0.270 3.900 4.170 0.000 0.000 0.242 719 I C 2.537 178.480 176.117 -0.291 0.000 1.091 719 I CA 1.456 62.631 61.300 -0.208 0.000 1.368 719 I CB -0.377 37.505 38.000 -0.196 0.000 1.058 719 I HN 0.169 nan 8.210 nan 0.000 0.410 720 S N 0.860 116.426 115.700 -0.224 0.000 2.355 720 S HA -0.252 4.218 4.470 0.000 0.000 0.222 720 S C 2.041 176.614 174.600 -0.046 0.000 1.031 720 S CA 1.239 59.346 58.200 -0.156 0.000 0.993 720 S CB -0.462 62.810 63.200 0.119 0.000 0.859 720 S HN 0.339 nan 8.310 nan 0.000 0.453 721 K N 1.776 122.155 120.400 -0.034 0.000 2.063 721 K HA -0.044 4.277 4.320 0.000 0.000 0.208 721 K C 2.256 178.838 176.600 -0.031 0.000 1.048 721 K CA 1.291 57.574 56.287 -0.007 0.000 0.928 721 K CB -0.674 31.820 32.500 -0.010 0.000 0.713 721 K HN 0.471 nan 8.250 nan 0.000 0.442 722 A N 0.832 123.601 122.820 -0.085 0.000 1.930 722 A HA -0.084 4.236 4.320 0.000 0.000 0.217 722 A C 2.070 179.586 177.584 -0.114 0.000 1.175 722 A CA 1.168 53.149 52.037 -0.093 0.000 0.627 722 A CB -0.498 18.431 19.000 -0.118 0.000 0.815 722 A HN 0.306 nan 8.150 nan 0.000 0.443 723 L N -0.579 120.519 121.223 -0.208 0.000 2.056 723 L HA -0.145 4.195 4.340 0.000 0.000 0.207 723 L C 2.531 179.420 176.870 0.031 0.000 1.078 723 L CA 1.008 55.729 54.840 -0.198 0.000 0.749 723 L CB -0.642 41.078 42.059 -0.566 0.000 0.901 723 L HN 0.236 nan 8.230 nan 0.000 0.433 724 V N -0.040 119.937 119.914 0.106 0.000 2.287 724 V HA -0.316 3.804 4.120 0.000 0.000 0.248 724 V C 2.036 178.173 176.094 0.072 0.000 1.053 724 V CA 2.046 64.430 62.300 0.140 0.000 1.027 724 V CB -0.571 31.335 31.823 0.138 0.000 0.646 724 V HN 0.437 nan 8.190 nan 0.000 0.447 725 D N 0.208 120.631 120.400 0.037 0.000 2.218 725 D HA -0.109 4.531 4.640 0.000 0.000 0.204 725 D C 1.884 178.200 176.300 0.025 0.000 0.976 725 D CA 1.611 55.626 54.000 0.025 0.000 0.853 725 D CB -0.156 40.651 40.800 0.011 0.000 0.939 725 D HN 0.566 nan 8.370 nan 0.000 0.481 726 V N -3.782 116.147 119.914 0.025 0.000 3.650 726 V HA 0.465 4.585 4.120 0.000 0.000 0.271 726 V C 1.406 177.531 176.094 0.052 0.000 1.281 726 V CA 0.584 62.904 62.300 0.032 0.000 1.120 726 V CB -0.001 31.837 31.823 0.026 0.000 0.856 726 V HN 0.177 nan 8.190 nan 0.000 0.443 727 G N 0.411 109.251 108.800 0.068 0.000 2.132 727 G HA2 -0.171 3.790 3.960 0.000 0.000 0.228 727 G HA3 -0.171 3.790 3.960 0.000 0.000 0.228 727 G C 0.081 175.048 174.900 0.111 0.000 1.000 727 G CA 0.280 45.429 45.100 0.082 0.000 0.693 727 G HN 1.710 nan 8.290 nan 0.000 0.515 728 V N -0.174 119.826 119.914 0.142 0.000 2.383 728 V HA 0.684 4.805 4.120 0.000 0.000 0.275 728 V C 0.213 176.503 176.094 0.328 0.000 1.036 728 V CA -0.426 61.993 62.300 0.199 0.000 0.889 728 V CB 1.558 33.492 31.823 0.186 0.000 0.985 728 V HN 0.281 nan 8.190 nan 0.000 0.459 729 D N 5.497 126.056 120.400 0.266 0.000 2.341 729 D HA 0.578 5.219 4.640 0.000 0.000 0.245 729 D C -0.463 176.076 176.300 0.399 0.000 1.106 729 D CA 0.372 54.512 54.000 0.233 0.000 0.905 729 D CB 0.844 41.710 40.800 0.110 0.000 1.202 729 D HN 0.682 nan 8.370 nan 0.000 0.426 730 F N -0.638 119.389 119.950 0.128 0.000 2.817 730 F HA 0.430 4.957 4.527 0.000 0.000 0.317 730 F C -1.414 174.439 175.800 0.089 0.000 1.168 730 F CA -1.188 56.911 58.000 0.164 0.000 0.911 730 F CB 0.800 39.929 39.000 0.216 0.000 1.337 730 F HN 0.060 nan 8.300 nan 0.000 0.464 731 Q N 1.380 121.249 119.800 0.116 0.000 2.235 731 Q HA 0.808 5.149 4.340 0.000 0.000 0.256 731 Q C -0.875 175.111 176.000 -0.024 0.000 0.951 731 Q CA -0.800 54.981 55.803 -0.037 0.000 0.890 731 Q CB 2.137 30.894 28.738 0.031 0.000 1.279 731 Q HN 1.003 nan 8.270 nan 0.000 0.444 732 A N 1.807 124.590 122.820 -0.062 0.000 2.498 732 A HA 0.827 5.147 4.320 0.000 0.000 0.298 732 A C -1.303 176.229 177.584 -0.086 0.000 1.075 732 A CA -0.576 51.458 52.037 -0.005 0.000 0.714 732 A CB 1.836 20.896 19.000 0.100 0.000 1.299 732 A HN 0.605 nan 8.150 nan 0.000 0.407 733 M N 1.931 121.463 119.600 -0.113 0.000 2.206 733 M HA 0.560 5.040 4.480 0.000 0.000 0.272 733 M C -1.691 174.489 176.300 -0.200 0.000 1.012 733 M CA -0.759 54.324 55.300 -0.363 0.000 0.986 733 M CB 1.028 33.327 32.600 -0.503 0.000 1.740 733 M HN 0.863 nan 8.290 nan 0.000 0.472 734 W N 4.402 125.570 121.300 -0.220 0.000 2.375 734 W HA 0.731 5.392 4.660 0.000 0.000 0.336 734 W C -1.889 174.375 176.519 -0.425 0.000 1.160 734 W CA -0.706 56.579 57.345 -0.099 0.000 1.266 734 W CB 0.229 29.660 29.460 -0.049 0.000 1.195 734 W HN 0.609 nan 8.180 nan 0.000 0.599 735 Y N 2.258 122.692 120.300 0.224 0.000 2.388 735 Y HA 0.286 4.836 4.550 0.000 0.000 0.328 735 Y C 0.475 176.499 175.900 0.206 0.000 0.963 735 Y CA -1.089 57.069 58.100 0.097 0.000 1.240 735 Y CB 1.326 39.816 38.460 0.051 0.000 1.118 735 Y HN 0.414 nan 8.280 nan 0.000 0.484 736 T N 4.829 119.559 114.554 0.294 0.000 2.792 736 T HA -0.001 4.349 4.350 0.000 0.000 0.286 736 T C 0.067 174.852 174.700 0.142 0.000 0.970 736 T CA 0.652 62.877 62.100 0.207 0.000 1.187 736 T CB -0.229 68.703 68.868 0.105 0.000 0.915 736 T HN 0.702 nan 8.240 nan 0.000 0.529 737 D N 1.067 121.534 120.400 0.113 0.000 3.077 737 D HA -0.117 4.523 4.640 0.000 0.000 0.212 737 D C 0.215 176.645 176.300 0.217 0.000 1.125 737 D CA 1.022 55.024 54.000 0.005 0.000 0.970 737 D CB -0.422 40.174 40.800 -0.340 0.000 1.110 737 D HN 0.536 nan 8.370 nan 0.000 0.419 738 E N 0.936 121.290 120.200 0.257 0.000 2.313 738 E HA 0.338 4.688 4.350 0.000 0.000 0.272 738 E C 0.760 177.553 176.600 0.322 0.000 1.038 738 E CA -0.285 56.285 56.400 0.283 0.000 0.863 738 E CB 1.241 31.102 29.700 0.268 0.000 1.060 738 E HN 0.343 nan 8.360 nan 0.000 0.402 739 D N -0.217 120.383 120.400 0.333 0.000 2.511 739 D HA -0.001 4.639 4.640 0.000 0.000 0.283 739 D C 1.054 177.587 176.300 0.388 0.000 1.198 739 D CA -0.168 54.054 54.000 0.370 0.000 1.097 739 D CB -0.161 40.886 40.800 0.412 0.000 1.160 739 D HN 0.411 nan 8.370 nan 0.000 0.589 740 H N -1.536 117.722 119.070 0.313 0.000 2.456 740 H HA 0.118 4.674 4.556 0.000 0.000 0.296 740 H C 1.950 177.506 175.328 0.380 0.000 1.079 740 H CA 2.047 58.298 56.048 0.338 0.000 1.322 740 H CB -0.404 29.533 29.762 0.292 0.000 1.388 740 H HN 0.491 nan 8.280 nan 0.000 0.538 741 G N 0.122 109.070 108.800 0.246 0.000 2.448 741 G HA2 -0.085 3.875 3.960 0.000 0.000 0.218 741 G HA3 -0.085 3.875 3.960 0.000 0.000 0.218 741 G C 0.738 175.771 174.900 0.222 0.000 1.135 741 G CA 0.401 45.557 45.100 0.093 0.000 0.784 741 G HN 0.539 nan 8.290 nan 0.000 0.543 742 I N 0.136 120.893 120.570 0.311 0.000 5.115 742 I HA -0.324 3.847 4.170 0.000 0.000 0.126 742 I C 1.464 177.698 176.117 0.196 0.000 1.316 742 I CA 0.158 61.601 61.300 0.237 0.000 2.641 742 I CB -1.112 36.999 38.000 0.184 0.000 2.272 742 I HN 0.269 nan 8.210 nan 0.000 0.321 743 A N 0.565 123.479 122.820 0.157 0.000 2.431 743 A HA 0.317 4.637 4.320 0.000 0.000 0.239 743 A C 1.071 178.709 177.584 0.091 0.000 1.230 743 A CA 0.073 52.172 52.037 0.104 0.000 0.928 743 A CB 0.307 19.333 19.000 0.044 0.000 1.006 743 A HN 0.411 nan 8.150 nan 0.000 0.520 744 S N 0.423 116.191 115.700 0.114 0.000 2.558 744 S HA 0.062 4.532 4.470 0.000 0.000 0.291 744 S C 1.492 176.155 174.600 0.106 0.000 1.306 744 S CA 0.495 58.756 58.200 0.103 0.000 1.056 744 S CB 1.195 64.460 63.200 0.109 0.000 0.836 744 S HN 0.541 nan 8.310 nan 0.000 0.504 745 S N 2.298 118.048 115.700 0.083 0.000 2.359 745 S HA -0.192 4.279 4.470 0.000 0.000 0.223 745 S C 2.315 176.980 174.600 0.107 0.000 1.039 745 S CA 2.180 60.432 58.200 0.088 0.000 1.042 745 S CB -0.828 62.403 63.200 0.051 0.000 0.915 745 S HN 0.969 nan 8.310 nan 0.000 0.439 746 T N -0.385 114.220 114.554 0.084 0.000 2.821 746 T HA 0.165 4.515 4.350 0.000 0.000 0.267 746 T C 1.917 176.673 174.700 0.093 0.000 1.046 746 T CA 1.303 63.452 62.100 0.081 0.000 1.139 746 T CB -0.791 68.116 68.868 0.065 0.000 0.871 746 T HN 0.427 nan 8.240 nan 0.000 0.454 747 A N 1.395 124.258 122.820 0.072 0.000 1.929 747 A HA -0.033 4.287 4.320 0.000 0.000 0.216 747 A C 2.189 179.737 177.584 -0.060 0.000 1.176 747 A CA 1.863 53.885 52.037 -0.024 0.000 0.628 747 A CB -1.215 17.744 19.000 -0.068 0.000 0.816 747 A HN 0.773 nan 8.150 nan 0.000 0.444 748 H N 0.036 119.101 119.070 -0.008 0.000 2.319 748 H HA -0.159 4.398 4.556 0.000 0.000 0.299 748 H C 2.036 177.441 175.328 0.127 0.000 1.092 748 H CA 2.388 58.485 56.048 0.081 0.000 1.302 748 H CB -0.245 29.558 29.762 0.069 0.000 1.373 748 H HN 0.575 nan 8.280 nan 0.000 0.497 749 Q N -1.005 118.733 119.800 -0.103 0.000 2.119 749 Q HA -0.174 4.166 4.340 0.000 0.000 0.201 749 Q C 2.222 178.192 176.000 -0.050 0.000 0.972 749 Q CA 1.302 57.021 55.803 -0.139 0.000 0.847 749 Q CB -0.185 28.530 28.738 -0.039 0.000 0.903 749 Q HN 0.637 nan 8.270 nan 0.000 0.433 750 H N 0.802 119.836 119.070 -0.061 0.000 2.326 750 H HA -0.063 4.493 4.556 0.000 0.000 0.301 750 H C 2.061 177.388 175.328 -0.002 0.000 1.081 750 H CA 1.287 57.343 56.048 0.013 0.000 1.334 750 H CB -0.042 29.787 29.762 0.111 0.000 1.385 750 H HN 0.264 nan 8.280 nan 0.000 0.504 751 I N 0.245 120.784 120.570 -0.052 0.000 2.163 751 I HA -0.350 3.820 4.170 0.000 0.000 0.243 751 I C 1.830 177.716 176.117 -0.384 0.000 1.085 751 I CA 1.436 62.606 61.300 -0.216 0.000 1.347 751 I CB -0.272 37.415 38.000 -0.522 0.000 1.044 751 I HN 0.190 nan 8.210 nan 0.000 0.408 752 Y N 0.613 120.699 120.300 -0.356 0.000 2.293 752 Y HA -0.199 4.351 4.550 0.000 0.000 0.291 752 Y C 2.678 178.355 175.900 -0.371 0.000 1.137 752 Y CA 1.765 59.528 58.100 -0.562 0.000 1.202 752 Y CB -0.591 37.545 38.460 -0.539 0.000 0.990 752 Y HN 0.155 nan 8.280 nan 0.000 0.537 753 T N -1.741 112.737 114.554 -0.127 0.000 2.777 753 T HA -0.220 4.130 4.350 0.000 0.000 0.266 753 T C 1.497 176.137 174.700 -0.100 0.000 1.040 753 T CA 1.794 63.806 62.100 -0.146 0.000 1.141 753 T CB -0.411 68.379 68.868 -0.131 0.000 0.868 753 T HN 0.397 nan 8.240 nan 0.000 0.444 754 H N 0.689 119.665 119.070 -0.157 0.000 2.389 754 H HA 0.163 4.719 4.556 0.000 0.000 0.299 754 H C 2.120 177.444 175.328 -0.006 0.000 1.081 754 H CA 1.390 57.411 56.048 -0.046 0.000 1.345 754 H CB -0.181 29.532 29.762 -0.081 0.000 1.393 754 H HN 0.250 nan 8.280 nan 0.000 0.520 755 M N -1.059 118.475 119.600 -0.110 0.000 2.200 755 M HA -0.117 4.363 4.480 0.000 0.000 0.265 755 M C 2.357 178.760 176.300 0.172 0.000 1.066 755 M CA 1.099 56.326 55.300 -0.122 0.000 1.127 755 M CB 0.144 32.389 32.600 -0.592 0.000 1.379 755 M HN 0.188 nan 8.290 nan 0.000 0.420 756 S N -0.373 115.449 115.700 0.203 0.000 2.353 756 S HA -0.175 4.295 4.470 0.000 0.000 0.222 756 S C 1.707 176.373 174.600 0.109 0.000 1.035 756 S CA 1.140 59.532 58.200 0.320 0.000 1.025 756 S CB -0.652 62.702 63.200 0.257 0.000 0.902 756 S HN 0.471 nan 8.310 nan 0.000 0.440 757 H N -0.246 118.874 119.070 0.083 0.000 2.352 757 H HA -0.059 4.497 4.556 0.000 0.000 0.299 757 H C 2.017 177.332 175.328 -0.023 0.000 1.097 757 H CA 1.406 57.457 56.048 0.004 0.000 1.311 757 H CB -0.714 29.006 29.762 -0.070 0.000 1.377 757 H HN 0.440 nan 8.280 nan 0.000 0.504 758 F N 1.346 121.272 119.950 -0.040 0.000 2.102 758 F HA -0.193 4.335 4.527 0.000 0.000 0.298 758 F C 2.316 178.061 175.800 -0.091 0.000 1.105 758 F CA 0.961 58.908 58.000 -0.087 0.000 1.239 758 F CB -0.269 38.655 39.000 -0.126 0.000 0.991 758 F HN -0.048 nan 8.300 nan 0.000 0.474 759 I N 0.657 121.220 120.570 -0.012 0.000 2.252 759 I HA -0.255 3.915 4.170 0.000 0.000 0.245 759 I C 2.257 178.130 176.117 -0.407 0.000 1.102 759 I CA 1.418 62.534 61.300 -0.306 0.000 1.385 759 I CB -1.330 36.569 38.000 -0.169 0.000 1.064 759 I HN 0.213 nan 8.210 nan 0.000 0.414 760 K N 0.296 120.621 120.400 -0.125 0.000 2.057 760 K HA -0.220 4.100 4.320 0.000 0.000 0.207 760 K C 2.100 178.685 176.600 -0.025 0.000 1.049 760 K CA 1.279 57.558 56.287 -0.013 0.000 0.931 760 K CB -0.178 32.363 32.500 0.068 0.000 0.714 760 K HN 0.364 nan 8.250 nan 0.000 0.440 761 Q N 0.494 120.239 119.800 -0.092 0.000 2.050 761 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 761 Q C 2.398 178.312 176.000 -0.144 0.000 0.980 761 Q CA 1.676 57.416 55.803 -0.105 0.000 0.840 761 Q CB -0.207 28.448 28.738 -0.138 0.000 0.898 761 Q HN 0.428 nan 8.270 nan 0.000 0.424 762 c N -0.149 118.260 118.600 -0.319 0.000 2.403 762 c HA -0.141 4.430 4.570 0.000 0.000 0.277 762 c C 1.999 176.132 174.090 0.071 0.000 1.248 762 c CA 0.601 56.774 56.329 -0.260 0.000 1.762 762 c CB -1.131 41.067 42.510 -0.520 0.000 2.014 762 c HN 0.557 nan 8.230 nan 0.000 0.486 763 F N 1.648 121.562 119.950 -0.060 0.000 2.765 763 F HA 0.231 4.758 4.527 0.000 0.000 0.302 763 F C 1.688 177.477 175.800 -0.018 0.000 1.111 763 F CA 0.562 58.550 58.000 -0.020 0.000 1.359 763 F CB -1.154 37.843 39.000 -0.005 0.000 1.097 763 F HN 0.301 nan 8.300 nan 0.000 0.577 764 S N 0.671 116.459 115.700 0.147 0.000 3.749 764 S HA -0.211 4.260 4.470 0.000 0.000 0.348 764 S C -0.054 174.596 174.600 0.082 0.000 1.045 764 S CA 0.028 58.276 58.200 0.080 0.000 1.051 764 S CB -2.323 60.913 63.200 0.058 0.000 0.898 764 S HN 0.242 nan 8.310 nan 0.000 0.472 765 L N 1.581 122.865 121.223 0.102 0.000 2.257 765 L HA 0.457 4.797 4.340 0.000 0.000 0.290 765 L C -1.539 175.377 176.870 0.075 0.000 1.044 765 L CA -1.816 53.080 54.840 0.094 0.000 0.810 765 L CB 0.607 42.740 42.059 0.123 0.000 1.193 765 L HN 0.054 nan 8.230 nan 0.000 0.425 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.135 63.100 0.058 0.000 0.800 766 P CB 0.000 31.726 31.700 0.043 0.000 0.726