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 3g0g_1_A DATA FIRST_RESID 41 DATA SEQUENCE KTYTLTDYLK NTYRLKLYSL RWISDHEYLY KQXXNILVFN 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 0.000 176.669 176.600 0.116 0.000 0.988 41 K CA 0.000 56.350 56.287 0.105 0.000 0.838 41 K CB 0.000 32.567 32.500 0.111 0.000 1.064 42 T N -1.441 113.189 114.554 0.127 0.000 2.936 42 T HA 0.315 4.670 4.350 0.007 0.000 0.282 42 T C -0.579 174.239 174.700 0.197 0.000 1.003 42 T CA -0.689 61.498 62.100 0.145 0.000 1.005 42 T CB 0.740 69.692 68.868 0.140 0.000 1.097 42 T HN 0.507 nan 8.240 nan 0.000 0.532 43 Y N 2.567 122.911 120.300 0.074 0.000 2.486 43 Y HA 0.376 4.931 4.550 0.007 0.000 0.348 43 Y C 0.915 176.954 175.900 0.232 0.000 1.000 43 Y CA -0.313 57.852 58.100 0.109 0.000 1.253 43 Y CB -0.102 38.373 38.460 0.024 0.000 1.140 43 Y HN 1.020 nan 8.280 nan 0.000 0.526 44 T N 2.723 117.246 114.554 -0.051 0.000 2.862 44 T HA 0.145 4.500 4.350 0.007 0.000 0.276 44 T C 0.930 175.479 174.700 -0.251 0.000 0.974 44 T CA -0.737 61.373 62.100 0.017 0.000 0.966 44 T CB 1.175 70.039 68.868 -0.006 0.000 1.072 44 T HN 0.671 nan 8.240 nan 0.000 0.538 45 L N 0.874 121.757 121.223 -0.567 0.000 2.017 45 L HA 0.025 4.369 4.340 0.007 0.000 0.208 45 L C 2.663 179.361 176.870 -0.286 0.000 1.073 45 L CA 2.156 56.564 54.840 -0.720 0.000 0.745 45 L CB -1.671 39.820 42.059 -0.947 0.000 0.894 45 L HN 0.961 nan 8.230 nan 0.000 0.432 46 T N -0.309 114.113 114.554 -0.220 0.000 2.720 46 T HA -0.194 4.160 4.350 0.007 0.000 0.268 46 T C 1.487 176.100 174.700 -0.144 0.000 1.037 46 T CA 1.536 63.549 62.100 -0.145 0.000 1.144 46 T CB -0.403 68.407 68.868 -0.096 0.000 0.864 46 T HN 0.399 nan 8.240 nan 0.000 0.444 47 D N 0.052 120.337 120.400 -0.191 0.000 2.116 47 D HA -0.118 4.526 4.640 0.007 0.000 0.193 47 D C 1.708 177.924 176.300 -0.140 0.000 0.998 47 D CA 1.203 55.074 54.000 -0.215 0.000 0.836 47 D CB -0.446 40.073 40.800 -0.469 0.000 0.951 47 D HN 0.470 nan 8.370 nan 0.000 0.449 48 Y N 1.084 121.198 120.300 -0.310 0.000 2.242 48 Y HA -0.053 4.501 4.550 0.007 0.000 0.291 48 Y C 2.116 178.012 175.900 -0.006 0.000 1.137 48 Y CA 1.108 59.191 58.100 -0.029 0.000 1.181 48 Y CB -0.429 38.061 38.460 0.050 0.000 0.989 48 Y HN -0.068 nan 8.280 nan 0.000 0.527 49 L N -0.319 120.737 121.223 -0.278 0.000 2.109 49 L HA -0.107 4.237 4.340 0.007 0.000 0.207 49 L C 1.690 178.451 176.870 -0.182 0.000 1.086 49 L CA 1.447 56.086 54.840 -0.335 0.000 0.760 49 L CB -0.304 41.621 42.059 -0.223 0.000 0.910 49 L HN -0.038 nan 8.230 nan 0.000 0.437 50 K N -0.094 120.232 120.400 -0.123 0.000 2.397 50 K HA 0.115 4.439 4.320 0.007 0.000 0.202 50 K C -0.058 176.506 176.600 -0.060 0.000 1.022 50 K CA -0.101 56.138 56.287 -0.079 0.000 1.141 50 K CB -0.069 32.389 32.500 -0.070 0.000 0.857 50 K HN 0.124 nan 8.250 nan 0.000 0.514 51 N N 0.621 119.295 118.700 -0.042 0.000 2.686 51 N HA -0.234 4.511 4.740 0.007 0.000 0.261 51 N C -0.139 175.371 175.510 -0.000 0.000 1.001 51 N CA 0.333 53.398 53.050 0.025 0.000 0.764 51 N CB -0.234 38.265 38.487 0.020 0.000 0.898 51 N HN 0.205 nan 8.380 nan 0.000 0.544 52 T N -0.477 114.044 114.554 -0.056 0.000 2.867 52 T HA -0.148 4.206 4.350 0.007 0.000 0.268 52 T C 0.267 174.752 174.700 -0.358 0.000 1.057 52 T CA 1.293 63.237 62.100 -0.261 0.000 1.136 52 T CB -0.086 68.515 68.868 -0.446 0.000 0.874 52 T HN 0.374 nan 8.240 nan 0.000 0.466 53 Y N 1.327 121.715 120.300 0.145 0.000 2.402 53 Y HA 0.514 5.068 4.550 0.007 0.000 0.332 53 Y C 0.425 176.428 175.900 0.172 0.000 0.960 53 Y CA -1.162 57.046 58.100 0.180 0.000 1.228 53 Y CB 0.684 39.305 38.460 0.268 0.000 1.120 53 Y HN -0.165 nan 8.280 nan 0.000 0.491 54 R N 3.472 124.110 120.500 0.231 0.000 2.265 54 R HA 0.466 4.811 4.340 0.007 0.000 0.319 54 R C -0.954 175.455 176.300 0.182 0.000 1.006 54 R CA -0.693 55.510 56.100 0.171 0.000 0.880 54 R CB 0.803 31.163 30.300 0.100 0.000 1.077 54 R HN 0.698 nan 8.270 nan 0.000 0.454 55 L N 4.421 125.756 121.223 0.186 0.000 2.369 55 L HA 0.197 4.541 4.340 0.007 0.000 0.279 55 L C 0.418 177.370 176.870 0.136 0.000 1.108 55 L CA 0.149 55.101 54.840 0.187 0.000 0.852 55 L CB 0.653 42.841 42.059 0.216 0.000 1.169 55 L HN 0.384 nan 8.230 nan 0.000 0.452 56 K N 3.166 123.637 120.400 0.118 0.000 2.205 56 K HA 0.519 4.843 4.320 0.007 0.000 0.279 56 K C -0.623 175.985 176.600 0.012 0.000 1.027 56 K CA -0.494 55.831 56.287 0.063 0.000 0.932 56 K CB 0.923 33.458 32.500 0.059 0.000 1.032 56 K HN 0.335 nan 8.250 nan 0.000 0.466 57 L N 2.632 123.807 121.223 -0.080 0.000 2.491 57 L HA 0.453 4.797 4.340 0.007 0.000 0.264 57 L C -0.954 175.650 176.870 -0.442 0.000 1.053 57 L CA -0.707 53.929 54.840 -0.339 0.000 0.858 57 L CB 0.511 42.505 42.059 -0.109 0.000 1.519 57 L HN 0.541 nan 8.230 nan 0.000 0.508 58 Y N 0.210 120.034 120.300 -0.793 0.000 2.517 58 Y HA 0.356 4.910 4.550 0.007 0.000 0.346 58 Y C -0.378 175.422 175.900 -0.167 0.000 1.113 58 Y CA -0.476 57.384 58.100 -0.401 0.000 1.295 58 Y CB 1.329 39.434 38.460 -0.591 0.000 1.094 58 Y HN 0.429 nan 8.280 nan 0.000 0.608 59 S N 5.345 121.030 115.700 -0.025 0.000 2.499 59 S HA 0.678 5.153 4.470 0.007 0.000 0.275 59 S C -0.792 173.803 174.600 -0.009 0.000 1.257 59 S CA -0.376 57.825 58.200 0.002 0.000 1.050 59 S CB -0.195 62.993 63.200 -0.019 0.000 0.937 59 S HN 0.601 nan 8.310 nan 0.000 0.490 60 L N 3.242 124.424 121.223 -0.069 0.000 2.371 60 L HA 0.785 5.130 4.340 0.007 0.000 0.262 60 L C -0.774 176.010 176.870 -0.142 0.000 1.006 60 L CA -0.891 53.844 54.840 -0.175 0.000 0.818 60 L CB 1.839 43.514 42.059 -0.640 0.000 1.354 60 L HN 0.527 nan 8.230 nan 0.000 0.415 61 R N 1.572 122.037 120.500 -0.058 0.000 2.388 61 R HA 0.362 4.707 4.340 0.007 0.000 0.314 61 R C -1.700 174.645 176.300 0.076 0.000 0.959 61 R CA -0.380 55.740 56.100 0.034 0.000 0.851 61 R CB 1.043 31.408 30.300 0.110 0.000 1.168 61 R HN 0.695 nan 8.270 nan 0.000 0.472 62 W N 3.432 124.838 121.300 0.177 0.000 2.397 62 W HA 0.016 4.680 4.660 0.007 0.000 0.327 62 W C 1.082 177.687 176.519 0.143 0.000 1.421 62 W CA -0.306 57.153 57.345 0.191 0.000 1.288 62 W CB 0.248 29.810 29.460 0.171 0.000 1.312 62 W HN 0.556 nan 8.180 nan 0.000 0.559 63 I N 2.374 123.169 120.570 0.374 0.000 2.731 63 I HA -0.087 4.087 4.170 0.007 0.000 0.260 63 I C 1.439 177.661 176.117 0.176 0.000 1.138 63 I CA 1.101 62.522 61.300 0.201 0.000 1.461 63 I CB -0.242 37.812 38.000 0.090 0.000 1.128 63 I HN 0.407 nan 8.210 nan 0.000 0.438 64 S N -1.935 113.888 115.700 0.206 0.000 3.605 64 S HA 0.308 4.782 4.470 0.007 0.000 0.301 64 S C 0.419 175.025 174.600 0.009 0.000 1.083 64 S CA -0.307 57.936 58.200 0.073 0.000 1.109 64 S CB 0.645 63.856 63.200 0.019 0.000 1.364 64 S HN 0.001 nan 8.310 nan 0.000 0.758 65 D N -0.118 120.117 120.400 -0.275 0.000 2.369 65 D HA 0.231 4.876 4.640 0.007 0.000 0.211 65 D C 0.609 176.794 176.300 -0.191 0.000 1.077 65 D CA 0.311 54.124 54.000 -0.312 0.000 0.842 65 D CB 0.019 40.634 40.800 -0.309 0.000 0.947 65 D HN 0.675 nan 8.370 nan 0.000 0.509 66 H N -2.050 117.192 119.070 0.288 0.000 3.394 66 H HA 0.407 4.968 4.556 0.008 0.000 0.256 66 H C -0.380 175.100 175.328 0.253 0.000 1.180 66 H CA -0.309 55.920 56.048 0.302 0.000 1.064 66 H CB 0.390 30.324 29.762 0.287 0.000 1.854 66 H HN 0.001 nan 8.280 nan 0.000 0.731 67 E N 1.241 121.699 120.200 0.430 0.000 2.340 67 E HA 0.442 4.797 4.350 0.007 0.000 0.273 67 E C -1.632 175.201 176.600 0.389 0.000 0.891 67 E CA -1.069 55.507 56.400 0.294 0.000 0.757 67 E CB 2.971 32.783 29.700 0.187 0.000 1.231 67 E HN 0.276 nan 8.360 nan 0.000 0.439 68 Y N -0.235 120.136 120.300 0.119 0.000 2.597 68 Y HA 0.638 5.193 4.550 0.008 0.000 0.340 68 Y C -1.769 174.148 175.900 0.029 0.000 1.097 68 Y CA -1.321 56.748 58.100 -0.051 0.000 1.037 68 Y CB 0.790 38.915 38.460 -0.559 0.000 1.305 68 Y HN 0.356 nan 8.280 nan 0.000 0.463 69 L N 2.839 124.208 121.223 0.244 0.000 2.343 69 L HA 0.513 4.857 4.340 0.007 0.000 0.275 69 L C -1.340 175.755 176.870 0.374 0.000 1.056 69 L CA -1.028 53.939 54.840 0.211 0.000 0.804 69 L CB 1.606 43.707 42.059 0.071 0.000 1.203 69 L HN 0.797 nan 8.230 nan 0.000 0.440 70 Y N 2.486 122.900 120.300 0.191 0.000 2.361 70 Y HA 0.302 4.857 4.550 0.007 0.000 0.328 70 Y C -0.395 175.532 175.900 0.044 0.000 1.044 70 Y CA -1.072 57.070 58.100 0.070 0.000 1.085 70 Y CB 1.383 39.835 38.460 -0.014 0.000 1.194 70 Y HN 0.438 nan 8.280 nan 0.000 0.438 71 K N 4.534 124.598 120.400 -0.561 0.000 2.355 71 K HA 0.328 4.653 4.320 0.007 0.000 0.270 71 K C -0.752 175.517 176.600 -0.553 0.000 1.003 71 K CA 0.214 56.241 56.287 -0.433 0.000 0.957 71 K CB 0.608 32.939 32.500 -0.282 0.000 0.939 71 K HN 0.893 nan 8.250 nan 0.000 0.482 76 I N 2.473 122.998 120.570 -0.074 0.000 2.468 76 I HA 0.409 4.583 4.170 0.007 0.000 0.285 76 I C -1.051 175.073 176.117 0.013 0.000 1.039 76 I CA -0.712 60.541 61.300 -0.079 0.000 1.074 76 I CB 1.279 39.160 38.000 -0.199 0.000 1.228 76 I HN 0.194 nan 8.210 nan 0.000 0.436 77 L N 6.474 127.735 121.223 0.063 0.000 2.334 77 L HA 0.623 4.968 4.340 0.007 0.000 0.272 77 L C 0.007 176.886 176.870 0.015 0.000 1.020 77 L CA -1.036 53.805 54.840 0.003 0.000 0.812 77 L CB 1.554 43.535 42.059 -0.130 0.000 1.264 77 L HN 0.183 nan 8.230 nan 0.000 0.439 78 V N 1.553 121.413 119.914 -0.090 0.000 2.481 78 V HA 0.454 4.578 4.120 0.007 0.000 0.286 78 V C -0.377 175.542 176.094 -0.292 0.000 1.042 78 V CA -0.429 61.809 62.300 -0.104 0.000 0.928 78 V CB 1.292 33.090 31.823 -0.041 0.000 0.986 78 V HN 0.405 nan 8.190 nan 0.000 0.462 79 F N 2.112 121.818 119.950 -0.407 0.000 2.508 79 F HA 0.432 4.963 4.527 0.008 0.000 0.325 79 F C 0.409 175.938 175.800 -0.451 0.000 1.090 79 F CA -0.569 57.111 58.000 -0.533 0.000 0.945 79 F CB 1.676 40.036 39.000 -1.067 0.000 1.156 79 F HN 0.458 nan 8.300 nan 0.000 0.463 80 N N 1.189 119.850 118.700 -0.065 0.000 2.434 80 N HA 0.418 5.163 4.740 0.007 0.000 0.272 80 N C 0.620 176.083 175.510 -0.078 0.000 1.040 80 N CA -0.025 53.015 53.050 -0.016 0.000 0.956 80 N CB 1.358 39.909 38.487 0.106 0.000 1.108 80 N HN 0.783 nan 8.380 nan 0.000 0.481 81 A N 3.252 125.995 122.820 -0.128 0.000 1.972 81 A HA -0.141 4.183 4.320 0.007 0.000 0.219 81 A C 1.893 179.220 177.584 -0.428 0.000 1.169 81 A CA 1.124 52.974 52.037 -0.312 0.000 0.635 81 A CB -0.271 18.249 19.000 -0.799 0.000 0.810 81 A HN 0.752 nan 8.150 nan 0.000 0.446 82 E N -0.563 119.374 120.200 -0.438 0.000 2.001 82 E HA -0.180 4.174 4.350 0.007 0.000 0.195 82 E C 1.714 178.033 176.600 -0.468 0.000 1.002 82 E CA 1.753 57.821 56.400 -0.553 0.000 0.819 82 E CB -0.440 28.549 29.700 -1.184 0.000 0.769 82 E HN 0.833 nan 8.360 nan 0.000 0.454 83 Y N -1.230 119.078 120.300 0.014 0.000 2.497 83 Y HA 0.316 4.871 4.550 0.008 0.000 0.265 83 Y C 1.747 177.658 175.900 0.019 0.000 1.111 83 Y CA 0.398 58.506 58.100 0.013 0.000 1.288 83 Y CB 0.207 38.669 38.460 0.004 0.000 1.082 83 Y HN 0.223 nan 8.280 nan 0.000 0.536 84 G N 1.001 109.879 108.800 0.129 0.000 2.184 84 G HA2 -0.334 3.630 3.960 0.007 0.000 0.264 84 G HA3 -0.334 3.630 3.960 0.007 0.000 0.264 84 G C 0.064 175.070 174.900 0.176 0.000 0.975 84 G CA 0.212 45.410 45.100 0.165 0.000 0.642 84 G HN 0.512 nan 8.290 nan 0.000 0.536 85 N N 0.473 119.241 118.700 0.114 0.000 2.508 85 N HA 0.482 5.226 4.740 0.007 0.000 0.264 85 N C -0.124 175.282 175.510 -0.173 0.000 1.216 85 N CA 0.669 53.718 53.050 -0.001 0.000 0.943 85 N CB 1.425 39.920 38.487 0.013 0.000 1.113 85 N HN 0.890 nan 8.380 nan 0.000 0.447 86 S N -0.729 114.778 115.700 -0.320 0.000 2.571 86 S HA 0.519 4.994 4.470 0.007 0.000 0.284 86 S C -0.699 173.711 174.600 -0.316 0.000 1.128 86 S CA -0.951 56.912 58.200 -0.561 0.000 0.970 86 S CB 0.959 63.378 63.200 -1.302 0.000 1.039 86 S HN 0.783 nan 8.310 nan 0.000 0.485 87 S N 1.698 117.258 115.700 -0.234 0.000 2.501 87 S HA 0.687 5.162 4.470 0.007 0.000 0.301 87 S C -0.157 174.385 174.600 -0.097 0.000 1.096 87 S CA -0.821 57.300 58.200 -0.131 0.000 1.063 87 S CB 1.039 64.195 63.200 -0.074 0.000 1.042 87 S HN 0.809 nan 8.310 nan 0.000 0.494 88 V N 3.947 123.816 119.914 -0.076 0.000 2.599 88 V HA 0.084 4.208 4.120 0.007 0.000 0.300 88 V C 0.763 176.867 176.094 0.018 0.000 1.034 88 V CA 0.243 62.519 62.300 -0.040 0.000 1.115 88 V CB -0.252 31.533 31.823 -0.063 0.000 0.934 88 V HN 1.000 nan 8.190 nan 0.000 0.485 89 F N 4.232 124.116 119.950 -0.110 0.000 2.274 89 F HA 0.380 4.911 4.527 0.007 0.000 0.288 89 F C 0.585 176.321 175.800 -0.108 0.000 1.069 89 F CA 0.669 58.612 58.000 -0.095 0.000 1.343 89 F CB 0.554 39.502 39.000 -0.086 0.000 1.089 89 F HN 0.291 nan 8.300 nan 0.000 0.517 90 L N -0.080 121.128 121.223 -0.026 0.000 2.466 90 L HA 0.306 4.650 4.340 0.007 0.000 0.258 90 L C -0.833 175.954 176.870 -0.138 0.000 0.973 90 L CA -0.865 53.883 54.840 -0.152 0.000 0.826 90 L CB 1.816 43.777 42.059 -0.163 0.000 1.372 90 L HN -0.300 nan 8.230 nan 0.000 0.409 91 E N 0.674 120.762 120.200 -0.188 0.000 2.392 91 E HA 0.086 4.440 4.350 0.007 0.000 0.259 91 E C 0.707 177.223 176.600 -0.139 0.000 1.108 91 E CA 0.090 56.399 56.400 -0.152 0.000 0.916 91 E CB 0.552 30.156 29.700 -0.160 0.000 0.989 91 E HN 0.564 nan 8.360 nan 0.000 0.432 92 N N 0.424 119.068 118.700 -0.094 0.000 2.037 92 N HA -0.232 4.512 4.740 0.007 0.000 0.196 92 N C 0.309 175.786 175.510 -0.055 0.000 1.034 92 N CA 1.813 54.824 53.050 -0.064 0.000 0.861 92 N CB -0.394 38.064 38.487 -0.048 0.000 1.039 92 N HN 0.256 nan 8.380 nan 0.000 0.427 93 S N -2.569 113.083 115.700 -0.081 0.000 2.143 93 S HA 0.380 4.855 4.470 0.007 0.000 0.188 93 S C 0.285 174.787 174.600 -0.163 0.000 1.431 93 S CA -0.839 57.318 58.200 -0.072 0.000 1.253 93 S CB 0.290 63.467 63.200 -0.037 0.000 1.137 93 S HN 0.175 nan 8.310 nan 0.000 0.457 94 T N 0.888 115.241 114.554 -0.335 0.000 2.942 94 T HA 0.109 4.464 4.350 0.007 0.000 0.265 94 T C 0.104 174.424 174.700 -0.632 0.000 1.062 94 T CA 0.938 62.689 62.100 -0.581 0.000 1.139 94 T CB -0.413 67.876 68.868 -0.965 0.000 0.883 94 T HN 0.645 nan 8.240 nan 0.000 0.468 95 F N 1.732 121.586 119.950 -0.160 0.000 2.980 95 F HA 0.358 4.889 4.527 0.008 0.000 0.299 95 F C 1.208 177.005 175.800 -0.004 0.000 1.211 95 F CA -1.314 56.613 58.000 -0.122 0.000 1.328 95 F CB -0.448 38.361 39.000 -0.318 0.000 1.154 95 F HN -0.001 nan 8.300 nan 0.000 0.528 96 D N 1.017 121.457 120.400 0.066 0.000 2.144 96 D HA -0.152 4.492 4.640 0.007 0.000 0.200 96 D C 1.431 177.776 176.300 0.075 0.000 0.978 96 D CA 1.381 55.414 54.000 0.055 0.000 0.833 96 D CB 0.210 41.010 40.800 -0.001 0.000 0.961 96 D HN 0.424 nan 8.370 nan 0.000 0.470 97 E N -1.104 119.150 120.200 0.091 0.000 2.403 97 E HA 0.038 4.392 4.350 0.007 0.000 0.188 97 E C 0.930 177.600 176.600 0.117 0.000 1.056 97 E CA -0.414 56.029 56.400 0.072 0.000 0.892 97 E CB -0.024 29.708 29.700 0.053 0.000 1.049 97 E HN 0.396 nan 8.360 nan 0.000 0.465 98 F N 0.662 120.605 119.950 -0.012 0.000 2.113 98 F HA -0.083 4.448 4.527 0.007 0.000 0.297 98 F C 1.888 177.532 175.800 -0.259 0.000 1.103 98 F CA 1.614 59.575 58.000 -0.065 0.000 1.248 98 F CB 0.247 39.241 39.000 -0.010 0.000 0.999 98 F HN 0.237 nan 8.300 nan 0.000 0.475 99 G N -1.155 107.493 108.800 -0.253 0.000 2.241 99 G HA2 -0.244 3.721 3.960 0.007 0.000 0.244 99 G HA3 -0.244 3.721 3.960 0.007 0.000 0.244 99 G C 0.085 174.665 174.900 -0.534 0.000 0.998 99 G CA 0.264 45.099 45.100 -0.443 0.000 0.621 99 G HN 0.488 nan 8.290 nan 0.000 0.519 100 H N 0.294 119.142 119.070 -0.371 0.000 2.499 100 H HA 0.649 5.210 4.556 0.007 0.000 0.340 100 H C -0.197 175.143 175.328 0.019 0.000 1.148 100 H CA -0.006 55.873 56.048 -0.281 0.000 1.215 100 H CB 1.653 30.948 29.762 -0.779 0.000 1.529 100 H HN 0.118 nan 8.280 nan 0.000 0.510 101 S N 2.151 117.960 115.700 0.182 0.000 2.430 101 S HA 0.180 4.655 4.470 0.007 0.000 0.282 101 S C 0.111 174.818 174.600 0.177 0.000 1.186 101 S CA -0.747 57.544 58.200 0.152 0.000 1.060 101 S CB -0.943 62.321 63.200 0.108 0.000 0.966 101 S HN 0.304 nan 8.310 nan 0.000 0.501 102 I N 5.930 126.585 120.570 0.141 0.000 2.436 102 I HA 0.178 4.352 4.170 0.007 0.000 0.289 102 I C 1.331 177.479 176.117 0.053 0.000 1.083 102 I CA 0.030 61.384 61.300 0.091 0.000 1.372 102 I CB 0.511 38.497 38.000 -0.023 0.000 1.408 102 I HN 0.596 nan 8.210 nan 0.000 0.516 103 N N 3.146 121.871 118.700 0.042 0.000 2.220 103 N HA -0.030 4.714 4.740 0.007 0.000 0.182 103 N C -0.107 175.367 175.510 -0.060 0.000 1.023 103 N CA 1.092 54.111 53.050 -0.052 0.000 0.856 103 N CB 0.376 38.790 38.487 -0.123 0.000 0.997 103 N HN 0.663 nan 8.380 nan 0.000 0.429 104 D N -1.939 118.455 120.400 -0.011 0.000 2.736 104 D HA 0.147 4.792 4.640 0.007 0.000 0.223 104 D C -1.483 174.868 176.300 0.085 0.000 1.231 104 D CA -0.572 53.429 54.000 0.001 0.000 0.818 104 D CB 0.963 41.725 40.800 -0.062 0.000 1.587 104 D HN 0.124 nan 8.370 nan 0.000 0.463 105 Y N -0.135 120.189 120.300 0.041 0.000 2.457 105 Y HA 0.761 5.316 4.550 0.008 0.000 0.333 105 Y C -0.680 175.301 175.900 0.135 0.000 1.119 105 Y CA -0.967 57.177 58.100 0.073 0.000 1.143 105 Y CB 1.772 40.264 38.460 0.055 0.000 1.230 105 Y HN 0.123 nan 8.280 nan 0.000 0.469 106 S N 4.299 120.146 115.700 0.246 0.000 2.750 106 S HA 0.528 5.002 4.470 0.007 0.000 0.276 106 S C -1.380 173.524 174.600 0.507 0.000 1.165 106 S CA -0.771 57.584 58.200 0.258 0.000 1.047 106 S CB -0.009 63.333 63.200 0.237 0.000 1.056 106 S HN 0.624 nan 8.310 nan 0.000 0.481 107 I N 4.381 125.168 120.570 0.361 0.000 2.519 107 I HA 0.296 4.471 4.170 0.007 0.000 0.287 107 I C 1.156 177.127 176.117 -0.243 0.000 1.047 107 I CA -0.407 60.996 61.300 0.171 0.000 1.381 107 I CB 1.116 39.195 38.000 0.133 0.000 1.417 107 I HN 0.764 nan 8.210 nan 0.000 0.540 108 S N 5.739 120.991 115.700 -0.747 0.000 2.585 108 S HA 0.215 4.689 4.470 0.007 0.000 0.273 108 S C -1.840 172.493 174.600 -0.445 0.000 1.339 108 S CA -0.924 56.518 58.200 -1.264 0.000 1.028 108 S CB 0.704 63.040 63.200 -1.440 0.000 0.906 108 S HN 0.444 nan 8.310 nan 0.000 0.528 109 P HA -0.104 nan 4.420 nan 0.000 0.219 109 P C 0.747 178.015 177.300 -0.053 0.000 1.146 109 P CA 1.281 64.325 63.100 -0.094 0.000 0.808 109 P CB -0.129 31.542 31.700 -0.049 0.000 0.779 110 D N -1.816 118.550 120.400 -0.056 0.000 2.340 110 D HA 0.069 4.713 4.640 0.007 0.000 0.220 110 D C 1.415 177.707 176.300 -0.014 0.000 1.039 110 D CA 0.582 54.582 54.000 0.001 0.000 0.866 110 D CB -1.108 39.736 40.800 0.072 0.000 0.913 110 D HN 0.182 nan 8.370 nan 0.000 0.523 111 G N 0.458 109.236 108.800 -0.037 0.000 2.155 111 G HA2 -0.395 3.570 3.960 0.007 0.000 0.257 111 G HA3 -0.395 3.570 3.960 0.007 0.000 0.257 111 G C 0.921 175.820 174.900 -0.001 0.000 0.983 111 G CA 0.626 45.747 45.100 0.036 0.000 0.676 111 G HN 0.480 nan 8.290 nan 0.000 0.528 112 Q N -1.627 118.082 119.800 -0.152 0.000 2.376 112 Q HA 0.386 4.730 4.340 0.007 0.000 0.206 112 Q C 0.134 175.693 176.000 -0.736 0.000 0.921 112 Q CA 0.620 56.153 55.803 -0.450 0.000 0.911 112 Q CB 0.498 28.881 28.738 -0.592 0.000 1.032 112 Q HN 0.568 nan 8.270 nan 0.000 0.510 113 F N -0.245 119.636 119.950 -0.115 0.000 2.588 113 F HA 0.476 5.008 4.527 0.007 0.000 0.310 113 F C -0.662 175.184 175.800 0.077 0.000 1.082 113 F CA -1.108 56.888 58.000 -0.006 0.000 0.929 113 F CB 1.849 40.859 39.000 0.016 0.000 1.254 113 F HN -0.193 nan 8.300 nan 0.000 0.455 114 I N 3.716 124.575 120.570 0.482 0.000 2.406 114 I HA 0.497 4.672 4.170 0.007 0.000 0.290 114 I C -1.662 174.770 176.117 0.525 0.000 0.999 114 I CA -1.034 60.554 61.300 0.480 0.000 1.124 114 I CB 1.331 39.582 38.000 0.418 0.000 1.289 114 I HN 0.556 nan 8.210 nan 0.000 0.441 115 L N 8.412 129.987 121.223 0.587 0.000 2.292 115 L HA 0.513 4.857 4.340 0.007 0.000 0.284 115 L C -1.257 175.782 176.870 0.281 0.000 1.065 115 L CA 0.021 55.100 54.840 0.399 0.000 0.806 115 L CB 1.080 43.299 42.059 0.267 0.000 1.175 115 L HN 0.513 nan 8.230 nan 0.000 0.431 116 L N 4.774 126.126 121.223 0.215 0.000 2.341 116 L HA 0.555 4.900 4.340 0.007 0.000 0.278 116 L C -0.402 176.626 176.870 0.263 0.000 1.005 116 L CA -0.558 54.353 54.840 0.119 0.000 0.818 116 L CB 1.836 43.767 42.059 -0.213 0.000 1.259 116 L HN 0.612 nan 8.230 nan 0.000 0.418 117 E N 3.250 123.557 120.200 0.179 0.000 2.158 117 E HA 0.493 4.848 4.350 0.007 0.000 0.271 117 E C -1.727 174.909 176.600 0.060 0.000 0.911 117 E CA -0.496 55.894 56.400 -0.018 0.000 0.767 117 E CB 1.396 31.134 29.700 0.064 0.000 1.120 117 E HN 0.455 nan 8.360 nan 0.000 0.405 118 Y N 1.577 121.732 120.300 -0.241 0.000 2.728 118 Y HA 0.459 5.014 4.550 0.008 0.000 0.330 118 Y C -0.333 175.467 175.900 -0.167 0.000 1.234 118 Y CA -1.587 56.438 58.100 -0.124 0.000 1.070 118 Y CB 0.385 38.833 38.460 -0.020 0.000 1.300 118 Y HN 0.506 nan 8.280 nan 0.000 0.467 119 N N -0.398 118.273 118.700 -0.048 0.000 2.727 119 N HA -0.296 4.448 4.740 0.007 0.000 0.249 119 N C -1.206 174.239 175.510 -0.108 0.000 1.048 119 N CA 0.996 53.970 53.050 -0.126 0.000 0.714 119 N CB -1.711 36.596 38.487 -0.299 0.000 0.959 119 N HN 0.838 nan 8.380 nan 0.000 0.544 120 Y N 0.049 120.254 120.300 -0.159 0.000 2.496 120 Y HA 0.347 4.902 4.550 0.007 0.000 0.334 120 Y C -0.083 175.755 175.900 -0.103 0.000 1.080 120 Y CA -0.229 57.768 58.100 -0.171 0.000 1.355 120 Y CB 0.720 39.037 38.460 -0.238 0.000 1.193 120 Y HN 0.002 nan 8.280 nan 0.000 0.523 121 V N 8.271 127.846 119.914 -0.566 0.000 2.380 121 V HA 0.192 4.316 4.120 0.007 0.000 0.286 121 V C -0.234 175.480 176.094 -0.632 0.000 1.015 121 V CA -1.357 60.656 62.300 -0.478 0.000 0.834 121 V CB 1.190 32.868 31.823 -0.241 0.000 1.009 121 V HN 0.743 nan 8.190 nan 0.000 0.428 122 K N 3.968 123.968 120.400 -0.667 0.000 2.448 122 K HA 0.149 4.473 4.320 0.007 0.000 0.278 122 K C 0.451 176.863 176.600 -0.314 0.000 1.009 122 K CA 0.362 56.399 56.287 -0.415 0.000 0.995 122 K CB 1.031 33.447 32.500 -0.140 0.000 0.917 122 K HN 0.802 nan 8.250 nan 0.000 0.481 123 Q N 3.063 122.657 119.800 -0.344 0.000 2.471 123 Q HA 0.166 4.510 4.340 0.007 0.000 0.207 123 Q C -0.006 175.715 176.000 -0.464 0.000 0.889 123 Q CA -0.318 55.099 55.803 -0.642 0.000 0.726 123 Q CB 0.055 28.247 28.738 -0.910 0.000 2.132 123 Q HN 0.729 nan 8.270 nan 0.000 0.531 124 W N 0.203 121.494 121.300 -0.015 0.000 1.763 124 W HA 0.358 5.022 4.660 0.007 0.000 0.619 124 W C 1.847 178.349 176.519 -0.028 0.000 1.755 124 W CA -0.674 56.693 57.345 0.038 0.000 1.933 124 W CB -0.208 29.270 29.460 0.030 0.000 3.002 124 W HN 0.260 nan 8.180 nan 0.000 0.782 125 R N -0.678 119.919 120.500 0.162 0.000 2.081 125 R HA -0.148 4.197 4.340 0.007 0.000 0.235 125 R C 1.765 177.894 176.300 -0.286 0.000 1.131 125 R CA 1.841 57.856 56.100 -0.143 0.000 0.960 125 R CB -0.408 29.672 30.300 -0.368 0.000 0.856 125 R HN 0.507 nan 8.270 nan 0.000 0.436 126 H N -1.372 117.757 119.070 0.098 0.000 2.927 126 H HA 0.150 4.711 4.556 0.008 0.000 0.255 126 H C 0.533 175.893 175.328 0.052 0.000 0.974 126 H CA 0.454 56.571 56.048 0.116 0.000 1.199 126 H CB 0.328 30.138 29.762 0.080 0.000 1.447 126 H HN 0.145 nan 8.280 nan 0.000 0.467 127 S N 1.444 117.075 115.700 -0.115 0.000 2.580 127 S HA 0.366 4.841 4.470 0.007 0.000 0.274 127 S C -0.312 174.091 174.600 -0.329 0.000 1.329 127 S CA -0.505 57.269 58.200 -0.711 0.000 1.036 127 S CB 0.617 62.958 63.200 -1.432 0.000 0.919 127 S HN 0.402 nan 8.310 nan 0.000 0.515 128 Y N -1.908 118.242 120.300 -0.250 0.000 2.689 128 Y HA 0.746 5.300 4.550 0.007 0.000 0.333 128 Y C -0.643 175.232 175.900 -0.040 0.000 1.208 128 Y CA -1.226 56.744 58.100 -0.216 0.000 1.055 128 Y CB 0.724 39.039 38.460 -0.242 0.000 1.304 128 Y HN 0.568 nan 8.280 nan 0.000 0.455 129 T N 1.315 115.948 114.554 0.130 0.000 2.918 129 T HA 0.915 5.269 4.350 0.007 0.000 0.286 129 T C -0.899 173.894 174.700 0.156 0.000 1.026 129 T CA 0.129 62.307 62.100 0.131 0.000 1.031 129 T CB 1.185 70.050 68.868 -0.005 0.000 1.046 129 T HN 1.144 nan 8.240 nan 0.000 0.479 130 A N 1.530 124.409 122.820 0.099 0.000 2.601 130 A HA 0.743 5.067 4.320 0.007 0.000 0.291 130 A C -0.825 176.508 177.584 -0.418 0.000 1.075 130 A CA -0.705 51.222 52.037 -0.183 0.000 0.671 130 A CB 1.354 20.225 19.000 -0.215 0.000 1.277 130 A HN 0.644 nan 8.150 nan 0.000 0.417 131 S N -0.506 114.712 115.700 -0.803 0.000 2.608 131 S HA 0.812 5.286 4.470 0.007 0.000 0.291 131 S C -1.375 172.510 174.600 -1.191 0.000 1.146 131 S CA -0.054 57.582 58.200 -0.940 0.000 1.043 131 S CB 0.601 63.016 63.200 -1.309 0.000 1.037 131 S HN 0.453 nan 8.310 nan 0.000 0.520 132 Y N 0.129 120.223 120.300 -0.344 0.000 2.581 132 Y HA 0.527 5.081 4.550 0.007 0.000 0.345 132 Y C -0.263 175.717 175.900 0.134 0.000 1.036 132 Y CA -0.926 57.134 58.100 -0.067 0.000 1.042 132 Y CB 1.848 40.209 38.460 -0.164 0.000 1.289 132 Y HN 0.481 nan 8.280 nan 0.000 0.471 133 D N 1.764 122.395 120.400 0.385 0.000 2.857 133 D HA 0.482 5.127 4.640 0.007 0.000 0.227 133 D C -1.241 175.195 176.300 0.227 0.000 1.192 133 D CA -0.316 53.865 54.000 0.302 0.000 0.857 133 D CB 2.708 43.757 40.800 0.416 0.000 1.645 133 D HN 0.398 nan 8.370 nan 0.000 0.482 134 I N 1.991 122.682 120.570 0.202 0.000 2.378 134 I HA 0.260 4.435 4.170 0.007 0.000 0.291 134 I C -0.828 175.488 176.117 0.331 0.000 0.992 134 I CA -0.934 60.520 61.300 0.257 0.000 1.154 134 I CB 1.397 39.504 38.000 0.178 0.000 1.315 134 I HN 0.236 nan 8.210 nan 0.000 0.448 135 Y N 5.644 126.100 120.300 0.260 0.000 2.331 135 Y HA 0.253 4.808 4.550 0.008 0.000 0.338 135 Y C 0.034 176.116 175.900 0.304 0.000 0.976 135 Y CA -0.618 57.633 58.100 0.252 0.000 1.137 135 Y CB 0.964 39.571 38.460 0.245 0.000 1.172 135 Y HN 0.504 nan 8.280 nan 0.000 0.478 136 D N 6.428 126.785 120.400 -0.073 0.000 2.338 136 D HA 0.029 4.673 4.640 0.007 0.000 0.255 136 D C 0.816 176.874 176.300 -0.403 0.000 1.237 136 D CA 0.458 54.378 54.000 -0.133 0.000 0.883 136 D CB 0.954 41.715 40.800 -0.066 0.000 1.087 136 D HN 0.884 nan 8.370 nan 0.000 0.485 137 L N 4.056 125.114 121.223 -0.275 0.000 2.141 137 L HA -0.168 4.176 4.340 0.007 0.000 0.209 137 L C 2.197 178.927 176.870 -0.233 0.000 1.094 137 L CA 0.665 55.409 54.840 -0.159 0.000 0.763 137 L CB -0.188 41.784 42.059 -0.145 0.000 0.908 137 L HN 0.405 nan 8.230 nan 0.000 0.437 138 N N 0.290 118.809 118.700 -0.302 0.000 2.109 138 N HA -0.140 4.605 4.740 0.007 0.000 0.188 138 N C 1.636 177.029 175.510 -0.195 0.000 1.034 138 N CA 1.262 54.171 53.050 -0.234 0.000 0.846 138 N CB -0.103 38.240 38.487 -0.241 0.000 1.010 138 N HN 0.341 nan 8.380 nan 0.000 0.425 139 K N 0.679 120.951 120.400 -0.212 0.000 2.432 139 K HA 0.127 4.452 4.320 0.007 0.000 0.196 139 K C -0.171 176.309 176.600 -0.199 0.000 1.038 139 K CA -0.011 56.175 56.287 -0.170 0.000 0.986 139 K CB 0.306 32.726 32.500 -0.133 0.000 0.782 139 K HN -0.010 nan 8.250 nan 0.000 0.485 140 R N 1.225 121.545 120.500 -0.301 0.000 3.336 140 R HA -0.165 4.179 4.340 0.007 0.000 0.260 140 R C -0.745 175.345 176.300 -0.349 0.000 1.032 140 R CA 0.992 56.912 56.100 -0.301 0.000 0.693 140 R CB -2.783 27.469 30.300 -0.080 0.000 1.134 140 R HN 0.725 nan 8.270 nan 0.000 0.433 141 Q N -1.557 117.864 119.800 -0.632 0.000 2.527 141 Q HA 0.469 4.814 4.340 0.007 0.000 0.280 141 Q C -0.874 174.968 176.000 -0.263 0.000 0.977 141 Q CA -1.253 54.377 55.803 -0.287 0.000 0.837 141 Q CB 1.226 29.903 28.738 -0.101 0.000 1.454 141 Q HN -0.060 nan 8.270 nan 0.000 0.387 142 L N 1.979 123.238 121.223 0.059 0.000 2.426 142 L HA 0.306 4.650 4.340 0.007 0.000 0.271 142 L C 0.269 177.200 176.870 0.101 0.000 1.169 142 L CA -0.163 54.780 54.840 0.171 0.000 0.836 142 L CB -0.233 42.000 42.059 0.290 0.000 1.112 142 L HN 0.688 nan 8.230 nan 0.000 0.465 143 I N 2.005 122.643 120.570 0.114 0.000 2.529 143 I HA 0.044 4.219 4.170 0.007 0.000 0.284 143 I C 1.349 177.507 176.117 0.069 0.000 1.082 143 I CA 0.600 61.946 61.300 0.077 0.000 1.406 143 I CB 1.109 39.148 38.000 0.064 0.000 1.405 143 I HN 0.790 nan 8.210 nan 0.000 0.548 144 T N 0.723 115.303 114.554 0.043 0.000 2.975 144 T HA 0.189 4.544 4.350 0.007 0.000 0.261 144 T C 0.283 174.986 174.700 0.005 0.000 0.984 144 T CA -0.399 61.721 62.100 0.033 0.000 0.911 144 T CB -0.019 68.871 68.868 0.037 0.000 1.127 144 T HN 0.551 nan 8.240 nan 0.000 0.514 145 E N 2.208 122.406 120.200 -0.004 0.000 2.191 145 E HA 0.250 4.605 4.350 0.007 0.000 0.278 145 E C -0.759 175.815 176.600 -0.044 0.000 0.972 145 E CA -0.542 55.845 56.400 -0.022 0.000 0.804 145 E CB 0.823 30.513 29.700 -0.016 0.000 1.110 145 E HN 0.204 nan 8.360 nan 0.000 0.394 146 E N 1.427 121.587 120.200 -0.066 0.000 2.230 146 E HA -0.223 4.131 4.350 0.007 0.000 0.206 146 E C -0.540 175.985 176.600 -0.124 0.000 1.309 146 E CA 0.635 56.976 56.400 -0.098 0.000 0.697 146 E CB -1.384 28.261 29.700 -0.091 0.000 1.146 146 E HN 0.576 nan 8.360 nan 0.000 0.363 147 R N -0.096 120.325 120.500 -0.131 0.000 2.707 147 R HA 0.417 4.762 4.340 0.007 0.000 0.270 147 R C 1.144 177.276 176.300 -0.280 0.000 1.083 147 R CA -0.549 55.460 56.100 -0.151 0.000 1.182 147 R CB 0.538 30.782 30.300 -0.093 0.000 1.084 147 R HN 0.146 nan 8.270 nan 0.000 0.528 148 I N 4.015 124.380 120.570 -0.341 0.000 2.533 148 I HA 0.067 4.241 4.170 0.007 0.000 0.284 148 I C -1.536 174.290 176.117 -0.486 0.000 1.109 148 I CA -1.645 59.292 61.300 -0.604 0.000 1.412 148 I CB 0.423 38.047 38.000 -0.626 0.000 1.396 148 I HN 0.337 nan 8.210 nan 0.000 0.543 149 P HA 0.044 nan 4.420 nan 0.000 0.270 149 P C -0.857 176.256 177.300 -0.312 0.000 1.223 149 P CA -0.325 62.405 63.100 -0.617 0.000 0.785 149 P CB 0.423 31.303 31.700 -1.366 0.000 0.923 150 N N 1.213 119.820 118.700 -0.155 0.000 2.482 150 N HA 0.007 4.751 4.740 0.007 0.000 0.260 150 N C 0.311 175.911 175.510 0.151 0.000 1.236 150 N CA 0.175 53.193 53.050 -0.054 0.000 0.938 150 N CB -0.716 37.742 38.487 -0.049 0.000 1.128 150 N HN 0.414 nan 8.380 nan 0.000 0.448 151 N N -1.607 117.145 118.700 0.087 0.000 2.780 151 N HA -0.163 4.582 4.740 0.007 0.000 0.248 151 N C -1.073 174.619 175.510 0.304 0.000 1.102 151 N CA 0.610 53.752 53.050 0.152 0.000 0.697 151 N CB -1.262 37.302 38.487 0.128 0.000 1.028 151 N HN 0.450 nan 8.380 nan 0.000 0.554 152 T N 0.151 114.891 114.554 0.310 0.000 2.884 152 T HA 0.095 4.450 4.350 0.007 0.000 0.298 152 T C 1.441 176.340 174.700 0.331 0.000 0.998 152 T CA 0.032 62.357 62.100 0.375 0.000 1.124 152 T CB 1.201 70.229 68.868 0.267 0.000 0.931 152 T HN 0.178 nan 8.240 nan 0.000 0.531 153 Q N 1.788 121.771 119.800 0.305 0.000 2.204 153 Q HA 0.159 4.504 4.340 0.007 0.000 0.198 153 Q C 0.117 176.325 176.000 0.347 0.000 0.946 153 Q CA 0.496 56.488 55.803 0.315 0.000 0.859 153 Q CB 0.726 29.594 28.738 0.216 0.000 0.946 153 Q HN 0.687 nan 8.270 nan 0.000 0.474 154 W N 0.444 121.746 121.300 0.004 0.000 3.479 154 W HA 0.450 5.114 4.660 0.008 0.000 0.304 154 W C -2.043 174.419 176.519 -0.096 0.000 1.243 154 W CA -0.870 56.423 57.345 -0.087 0.000 1.202 154 W CB 1.406 30.736 29.460 -0.218 0.000 1.346 154 W HN -0.247 nan 8.180 nan 0.000 0.539 155 V N 1.583 120.824 119.914 -1.121 0.000 2.841 155 V HA 0.893 5.018 4.120 0.007 0.000 0.310 155 V C -1.022 174.391 176.094 -1.134 0.000 1.090 155 V CA -0.626 61.103 62.300 -0.950 0.000 0.930 155 V CB 1.308 32.517 31.823 -1.024 0.000 1.014 155 V HN 0.561 nan 8.190 nan 0.000 0.425 156 T N 3.173 117.371 114.554 -0.593 0.000 3.041 156 T HA 0.532 4.886 4.350 0.007 0.000 0.321 156 T C -1.382 173.300 174.700 -0.032 0.000 1.184 156 T CA -0.320 61.625 62.100 -0.258 0.000 1.050 156 T CB 0.963 69.910 68.868 0.132 0.000 1.159 156 T HN 0.765 nan 8.240 nan 0.000 0.469 157 W N 3.214 124.553 121.300 0.065 0.000 2.126 157 W HA 0.456 5.120 4.660 0.008 0.000 0.346 157 W C 1.278 177.687 176.519 -0.184 0.000 1.279 157 W CA -0.585 56.753 57.345 -0.012 0.000 1.259 157 W CB 0.559 30.007 29.460 -0.020 0.000 1.133 157 W HN 0.769 nan 8.180 nan 0.000 0.592 158 S N 1.222 116.660 115.700 -0.436 0.000 2.600 158 S HA 0.200 4.675 4.470 0.007 0.000 0.265 158 S C -1.837 172.521 174.600 -0.403 0.000 1.325 158 S CA -1.003 56.428 58.200 -1.281 0.000 1.002 158 S CB 1.016 63.218 63.200 -1.663 0.000 0.921 158 S HN 0.278 nan 8.310 nan 0.000 0.554 159 P HA 0.041 nan 4.420 nan 0.000 0.221 159 P C 0.399 177.665 177.300 -0.056 0.000 1.150 159 P CA 0.725 63.797 63.100 -0.047 0.000 0.800 159 P CB -0.192 31.517 31.700 0.015 0.000 0.787 160 V N -5.755 114.086 119.914 -0.122 0.000 2.864 160 V HA 0.881 5.006 4.120 0.007 0.000 0.314 160 V C 0.533 176.556 176.094 -0.118 0.000 1.073 160 V CA -0.181 62.068 62.300 -0.085 0.000 0.956 160 V CB 0.934 32.719 31.823 -0.063 0.000 1.023 160 V HN 0.453 nan 8.190 nan 0.000 0.435 161 G N 2.938 111.704 108.800 -0.056 0.000 2.514 161 G HA2 -0.202 3.763 3.960 0.007 0.000 0.265 161 G HA3 -0.202 3.763 3.960 0.007 0.000 0.265 161 G C 0.326 175.246 174.900 0.033 0.000 1.150 161 G CA 0.855 45.945 45.100 -0.017 0.000 0.959 161 G HN 2.506 nan 8.290 nan 0.000 0.556 162 H N -0.213 118.851 119.070 -0.010 0.000 3.043 162 H HA 0.394 4.954 4.556 0.007 0.000 0.244 162 H C 0.416 175.873 175.328 0.214 0.000 1.199 162 H CA 0.050 56.137 56.048 0.065 0.000 0.956 162 H CB -0.283 29.555 29.762 0.127 0.000 2.305 162 H HN 0.539 nan 8.280 nan 0.000 0.665 163 K N 1.449 121.802 120.400 -0.078 0.000 2.319 163 K HA 0.319 4.644 4.320 0.007 0.000 0.265 163 K C -0.751 175.914 176.600 0.109 0.000 1.000 163 K CA -0.336 55.911 56.287 -0.066 0.000 0.943 163 K CB 1.174 33.484 32.500 -0.318 0.000 0.950 163 K HN 0.130 nan 8.250 nan 0.000 0.485 164 L N 1.406 122.723 121.223 0.157 0.000 2.528 164 L HA 0.430 4.774 4.340 0.007 0.000 0.267 164 L C -1.649 175.353 176.870 0.219 0.000 0.961 164 L CA -0.070 54.821 54.840 0.085 0.000 0.866 164 L CB 1.759 43.676 42.059 -0.236 0.000 1.248 164 L HN 0.712 nan 8.230 nan 0.000 0.404 165 A N 4.100 127.109 122.820 0.315 0.000 2.337 165 A HA 0.854 5.178 4.320 0.007 0.000 0.329 165 A C -1.506 176.105 177.584 0.045 0.000 1.146 165 A CA -0.342 51.778 52.037 0.138 0.000 0.800 165 A CB 0.885 19.884 19.000 -0.002 0.000 1.220 165 A HN 0.879 nan 8.150 nan 0.000 0.472 166 Y N -0.855 119.400 120.300 -0.075 0.000 2.638 166 Y HA 0.776 5.330 4.550 0.007 0.000 0.339 166 Y C -1.105 174.814 175.900 0.032 0.000 1.084 166 Y CA -1.587 56.456 58.100 -0.096 0.000 1.068 166 Y CB 1.149 39.496 38.460 -0.189 0.000 1.294 166 Y HN 0.390 nan 8.280 nan 0.000 0.480 167 V N 1.660 121.725 119.914 0.251 0.000 2.487 167 V HA 0.388 4.512 4.120 0.007 0.000 0.298 167 V C -1.542 174.791 176.094 0.399 0.000 1.028 167 V CA -0.677 61.743 62.300 0.201 0.000 0.860 167 V CB 1.371 33.225 31.823 0.051 0.000 0.991 167 V HN 0.883 nan 8.190 nan 0.000 0.427 168 W N 5.097 126.510 121.300 0.188 0.000 3.211 168 W HA 0.465 5.129 4.660 0.008 0.000 0.335 168 W C 0.167 176.749 176.519 0.106 0.000 1.113 168 W CA -0.514 56.922 57.345 0.152 0.000 1.235 168 W CB 1.243 30.792 29.460 0.148 0.000 1.365 168 W HN 0.754 nan 8.180 nan 0.000 0.476 169 N N 6.070 124.466 118.700 -0.508 0.000 2.725 169 N HA -0.335 4.409 4.740 0.007 0.000 0.251 169 N C 0.128 175.488 175.510 -0.250 0.000 1.031 169 N CA 1.264 54.000 53.050 -0.523 0.000 0.720 169 N CB -1.017 36.956 38.487 -0.856 0.000 0.930 169 N HN 0.926 nan 8.380 nan 0.000 0.543 170 N N -1.591 117.017 118.700 -0.153 0.000 2.778 170 N HA -0.181 4.564 4.740 0.007 0.000 0.249 170 N C -1.126 174.301 175.510 -0.139 0.000 1.069 170 N CA 1.140 54.111 53.050 -0.133 0.000 0.831 170 N CB -0.344 38.017 38.487 -0.209 0.000 1.142 170 N HN 0.457 nan 8.380 nan 0.000 0.573 171 D N 0.448 120.777 120.400 -0.119 0.000 2.340 171 D HA 0.492 5.137 4.640 0.007 0.000 0.240 171 D C 0.124 176.231 176.300 -0.323 0.000 1.001 171 D CA -0.368 53.474 54.000 -0.264 0.000 0.888 171 D CB 1.560 42.144 40.800 -0.360 0.000 1.310 171 D HN 0.022 nan 8.370 nan 0.000 0.474 172 I N 1.973 122.195 120.570 -0.581 0.000 2.331 172 I HA 0.218 4.392 4.170 0.007 0.000 0.292 172 I C -0.627 174.992 176.117 -0.830 0.000 0.998 172 I CA -0.486 60.456 61.300 -0.597 0.000 1.267 172 I CB 0.498 38.083 38.000 -0.692 0.000 1.386 172 I HN 0.143 nan 8.210 nan 0.000 0.476 173 Y N 4.647 124.559 120.300 -0.647 0.000 2.468 173 Y HA 0.648 5.202 4.550 0.007 0.000 0.342 173 Y C -0.184 175.392 175.900 -0.540 0.000 1.021 173 Y CA -1.006 56.671 58.100 -0.704 0.000 1.079 173 Y CB 2.014 39.761 38.460 -1.188 0.000 1.226 173 Y HN 0.126 nan 8.280 nan 0.000 0.460 174 V N 2.887 122.750 119.914 -0.086 0.000 2.588 174 V HA 0.388 4.512 4.120 0.007 0.000 0.304 174 V C -0.760 175.441 176.094 0.178 0.000 1.042 174 V CA -1.384 60.968 62.300 0.087 0.000 0.877 174 V CB 1.808 33.731 31.823 0.167 0.000 0.996 174 V HN 0.638 nan 8.190 nan 0.000 0.425 175 K N 4.645 125.149 120.400 0.173 0.000 2.339 175 K HA 0.480 4.805 4.320 0.007 0.000 0.264 175 K C 0.453 177.143 176.600 0.150 0.000 0.986 175 K CA -0.703 55.661 56.287 0.130 0.000 0.866 175 K CB 1.737 34.286 32.500 0.081 0.000 1.103 175 K HN 0.447 nan 8.250 nan 0.000 0.441 176 I N 1.092 121.769 120.570 0.178 0.000 2.202 176 I HA -0.117 4.058 4.170 0.007 0.000 0.242 176 I C 0.585 176.746 176.117 0.073 0.000 1.091 176 I CA 1.563 62.939 61.300 0.127 0.000 1.368 176 I CB -0.254 37.850 38.000 0.173 0.000 1.058 176 I HN 0.543 nan 8.210 nan 0.000 0.410 177 E N 0.120 120.370 120.200 0.084 0.000 2.222 177 E HA 0.265 4.620 4.350 0.007 0.000 0.267 177 E C -1.804 174.790 176.600 -0.009 0.000 0.884 177 E CA -2.036 54.415 56.400 0.084 0.000 0.764 177 E CB 1.854 31.614 29.700 0.100 0.000 1.169 177 E HN -0.122 nan 8.360 nan 0.000 0.413 178 P HA -0.211 nan 4.420 nan 0.000 0.217 178 P C 0.872 178.111 177.300 -0.101 0.000 1.151 178 P CA 1.560 64.545 63.100 -0.191 0.000 0.849 178 P CB 0.226 31.614 31.700 -0.520 0.000 0.787 179 N N -1.435 117.227 118.700 -0.064 0.000 2.424 179 N HA -0.002 4.743 4.740 0.007 0.000 0.178 179 N C 0.565 176.057 175.510 -0.031 0.000 1.060 179 N CA 0.103 53.137 53.050 -0.027 0.000 0.901 179 N CB -0.252 38.238 38.487 0.006 0.000 0.979 179 N HN 0.165 nan 8.380 nan 0.000 0.451 180 L N 1.849 123.053 121.223 -0.031 0.000 2.453 180 L HA 0.332 4.677 4.340 0.007 0.000 0.261 180 L C -1.915 174.897 176.870 -0.097 0.000 1.179 180 L CA -1.962 52.848 54.840 -0.049 0.000 0.813 180 L CB 0.314 42.355 42.059 -0.029 0.000 1.110 180 L HN -0.061 nan 8.230 nan 0.000 0.466 181 P HA 0.023 nan 4.420 nan 0.000 0.270 181 P C -0.985 176.140 177.300 -0.292 0.000 1.223 181 P CA -0.319 62.672 63.100 -0.183 0.000 0.785 181 P CB 0.536 32.129 31.700 -0.179 0.000 0.923 182 S N 0.572 116.146 115.700 -0.210 0.000 2.541 182 S HA 0.460 4.935 4.470 0.007 0.000 0.283 182 S C -0.639 173.844 174.600 -0.194 0.000 1.196 182 S CA -0.625 57.475 58.200 -0.166 0.000 1.062 182 S CB 0.167 63.388 63.200 0.034 0.000 1.009 182 S HN 0.259 nan 8.310 nan 0.000 0.502 183 Y N 0.863 121.193 120.300 0.049 0.000 2.327 183 Y HA 0.410 4.964 4.550 0.007 0.000 0.336 183 Y C 0.932 176.782 175.900 -0.084 0.000 1.035 183 Y CA -0.786 57.327 58.100 0.022 0.000 1.165 183 Y CB 0.701 39.170 38.460 0.016 0.000 1.181 183 Y HN 0.631 nan 8.280 nan 0.000 0.494 184 R N 4.012 124.502 120.500 -0.017 0.000 2.248 184 R HA 0.189 4.533 4.340 0.007 0.000 0.328 184 R C 0.290 176.358 176.300 -0.386 0.000 1.067 184 R CA -0.124 55.658 56.100 -0.530 0.000 0.924 184 R CB 0.215 30.025 30.300 -0.817 0.000 1.013 184 R HN 0.765 nan 8.270 nan 0.000 0.454 185 I N 2.287 122.545 120.570 -0.521 0.000 2.339 185 I HA -0.051 4.123 4.170 0.007 0.000 0.245 185 I C 1.124 177.064 176.117 -0.295 0.000 1.096 185 I CA 1.056 62.159 61.300 -0.329 0.000 1.408 185 I CB -0.991 36.754 38.000 -0.424 0.000 1.092 185 I HN 0.596 nan 8.210 nan 0.000 0.423 186 T N -3.696 110.546 114.554 -0.520 0.000 2.887 186 T HA 0.409 4.764 4.350 0.007 0.000 0.288 186 T C -0.507 173.919 174.700 -0.456 0.000 1.021 186 T CA -0.529 61.364 62.100 -0.345 0.000 1.000 186 T CB 2.013 70.654 68.868 -0.379 0.000 1.034 186 T HN 0.209 nan 8.240 nan 0.000 0.467 187 W N 0.293 121.483 121.300 -0.183 0.000 2.534 187 W HA 0.214 4.879 4.660 0.007 0.000 0.339 187 W C 1.944 178.406 176.519 -0.096 0.000 0.961 187 W CA -0.130 57.142 57.345 -0.122 0.000 1.545 187 W CB 0.378 29.786 29.460 -0.087 0.000 1.104 187 W HN 0.911 nan 8.180 nan 0.000 0.538 188 T N -2.760 111.828 114.554 0.058 0.000 3.081 188 T HA 0.256 4.611 4.350 0.007 0.000 0.250 188 T C 1.252 175.937 174.700 -0.024 0.000 1.100 188 T CA 0.203 62.319 62.100 0.027 0.000 1.038 188 T CB -0.157 68.723 68.868 0.020 0.000 0.962 188 T HN -0.004 nan 8.240 nan 0.000 0.516 189 G N 1.409 110.164 108.800 -0.076 0.000 2.272 189 G HA2 0.353 4.318 3.960 0.007 0.000 0.247 189 G HA3 0.353 4.318 3.960 0.007 0.000 0.247 189 G C -0.612 174.216 174.900 -0.121 0.000 1.272 189 G CA -0.373 44.657 45.100 -0.117 0.000 0.921 189 G HN 0.503 nan 8.290 nan 0.000 0.495 190 K N 2.262 122.571 120.400 -0.152 0.000 2.565 190 K HA 0.165 4.489 4.320 0.007 0.000 0.249 190 K C -0.175 176.297 176.600 -0.212 0.000 0.958 190 K CA -0.662 55.539 56.287 -0.144 0.000 0.806 190 K CB 1.716 34.167 32.500 -0.081 0.000 1.194 190 K HN 0.615 nan 8.250 nan 0.000 0.434 191 E N 2.888 122.974 120.200 -0.191 0.000 2.652 191 E HA -0.143 4.211 4.350 0.007 0.000 0.255 191 E C -0.602 175.912 176.600 -0.143 0.000 0.952 191 E CA 1.004 57.291 56.400 -0.189 0.000 0.947 191 E CB 0.277 29.901 29.700 -0.126 0.000 0.912 191 E HN 0.637 nan 8.360 nan 0.000 0.489 192 D N 2.333 122.641 120.400 -0.153 0.000 3.046 192 D HA -0.243 4.402 4.640 0.007 0.000 0.210 192 D C 0.412 176.746 176.300 0.056 0.000 1.124 192 D CA 1.514 55.536 54.000 0.038 0.000 0.986 192 D CB -0.969 39.878 40.800 0.079 0.000 1.118 192 D HN 0.507 nan 8.370 nan 0.000 0.416 193 I N -1.193 119.315 120.570 -0.104 0.000 3.814 193 I HA 0.095 4.269 4.170 0.007 0.000 0.264 193 I C 0.266 176.409 176.117 0.044 0.000 1.145 193 I CA -0.004 61.309 61.300 0.021 0.000 1.375 193 I CB 0.799 38.802 38.000 0.004 0.000 1.638 193 I HN -0.169 nan 8.210 nan 0.000 0.432 194 I N 1.116 121.621 120.570 -0.109 0.000 2.436 194 I HA 0.286 4.460 4.170 0.007 0.000 0.289 194 I C -1.515 174.516 176.117 -0.144 0.000 1.010 194 I CA -0.481 60.819 61.300 0.000 0.000 1.098 194 I CB 1.139 39.146 38.000 0.012 0.000 1.266 194 I HN 0.046 nan 8.210 nan 0.000 0.434 195 Y N 4.480 124.856 120.300 0.127 0.000 2.338 195 Y HA 0.380 4.934 4.550 0.007 0.000 0.328 195 Y C 0.289 176.227 175.900 0.063 0.000 0.965 195 Y CA -0.766 57.407 58.100 0.121 0.000 1.208 195 Y CB 1.072 39.685 38.460 0.256 0.000 1.132 195 Y HN 0.408 nan 8.280 nan 0.000 0.469 196 N N 2.418 121.157 118.700 0.065 0.000 2.437 196 N HA 0.352 5.096 4.740 0.007 0.000 0.259 196 N C 0.889 176.315 175.510 -0.139 0.000 0.983 196 N CA 0.499 53.520 53.050 -0.048 0.000 0.937 196 N CB 1.817 40.190 38.487 -0.189 0.000 1.122 196 N HN 1.005 nan 8.380 nan 0.000 0.499 197 G N 1.642 110.366 108.800 -0.126 0.000 2.225 197 G HA2 -0.257 3.707 3.960 0.007 0.000 0.254 197 G HA3 -0.257 3.707 3.960 0.007 0.000 0.254 197 G C 0.133 174.845 174.900 -0.314 0.000 0.988 197 G CA 0.551 45.501 45.100 -0.251 0.000 0.625 197 G HN 0.659 nan 8.290 nan 0.000 0.527 198 I N -1.129 119.327 120.570 -0.190 0.000 2.785 198 I HA 0.815 4.989 4.170 0.007 0.000 0.302 198 I C 0.357 176.479 176.117 0.008 0.000 1.069 198 I CA -0.606 60.493 61.300 -0.335 0.000 1.045 198 I CB 2.053 39.649 38.000 -0.673 0.000 1.236 198 I HN 0.175 nan 8.210 nan 0.000 0.429 199 T N -0.081 114.389 114.554 -0.141 0.000 2.913 199 T HA 0.361 4.716 4.350 0.007 0.000 0.287 199 T C -0.186 174.248 174.700 -0.443 0.000 1.008 199 T CA -0.650 61.237 62.100 -0.355 0.000 1.067 199 T CB 1.173 69.917 68.868 -0.207 0.000 0.996 199 T HN 0.767 nan 8.240 nan 0.000 0.513 200 D N 0.434 120.319 120.400 -0.859 0.000 2.478 200 D HA 0.057 4.702 4.640 0.007 0.000 0.269 200 D C 0.957 177.127 176.300 -0.217 0.000 1.232 200 D CA -1.184 52.343 54.000 -0.789 0.000 1.059 200 D CB 0.077 40.394 40.800 -0.805 0.000 1.104 200 D HN 0.698 nan 8.370 nan 0.000 0.566 201 W N 0.126 121.317 121.300 -0.181 0.000 2.317 201 W HA -0.226 4.439 4.660 0.008 0.000 0.318 201 W C 2.111 178.491 176.519 -0.232 0.000 1.227 201 W CA 2.331 59.555 57.345 -0.201 0.000 1.269 201 W CB -0.377 28.901 29.460 -0.304 0.000 1.155 201 W HN 0.192 nan 8.180 nan 0.000 0.484 202 V N -0.336 119.592 119.914 0.023 0.000 2.548 202 V HA -0.260 3.865 4.120 0.007 0.000 0.249 202 V C 1.789 177.700 176.094 -0.305 0.000 1.055 202 V CA 1.828 64.050 62.300 -0.130 0.000 1.065 202 V CB -0.662 31.126 31.823 -0.059 0.000 0.681 202 V HN 0.270 nan 8.190 nan 0.000 0.462 203 Y N 0.544 120.659 120.300 -0.309 0.000 2.263 203 Y HA -0.127 4.427 4.550 0.008 0.000 0.292 203 Y C 2.572 178.370 175.900 -0.170 0.000 1.130 203 Y CA 1.967 59.922 58.100 -0.241 0.000 1.179 203 Y CB -0.089 38.120 38.460 -0.419 0.000 0.998 203 Y HN 0.348 nan 8.280 nan 0.000 0.532 204 E N 0.359 120.489 120.200 -0.117 0.000 2.051 204 E HA -0.289 4.066 4.350 0.007 0.000 0.192 204 E C 1.929 178.433 176.600 -0.160 0.000 0.991 204 E CA 1.600 57.948 56.400 -0.086 0.000 0.799 204 E CB 0.039 29.696 29.700 -0.072 0.000 0.748 204 E HN 0.382 nan 8.360 nan 0.000 0.449 205 E N 0.052 119.959 120.200 -0.488 0.000 2.122 205 E HA -0.108 4.246 4.350 0.007 0.000 0.190 205 E C 1.257 177.697 176.600 -0.268 0.000 0.977 205 E CA 1.182 57.287 56.400 -0.492 0.000 0.820 205 E CB 0.325 29.376 29.700 -1.081 0.000 0.770 205 E HN 0.204 nan 8.360 nan 0.000 0.462 206 E N -1.062 118.968 120.200 -0.284 0.000 2.601 206 E HA 0.141 4.496 4.350 0.007 0.000 0.219 206 E C 1.107 177.555 176.600 -0.254 0.000 0.964 206 E CA 0.201 56.481 56.400 -0.200 0.000 1.050 206 E CB 1.479 31.067 29.700 -0.187 0.000 1.068 206 E HN 0.150 nan 8.360 nan 0.000 0.496 207 V N -0.779 118.962 119.914 -0.289 0.000 2.950 207 V HA 0.115 4.240 4.120 0.007 0.000 0.231 207 V C 1.210 177.072 176.094 -0.387 0.000 1.205 207 V CA 0.536 62.589 62.300 -0.413 0.000 1.239 207 V CB -0.088 31.371 31.823 -0.607 0.000 1.050 207 V HN 0.019 nan 8.190 nan 0.000 0.498 208 F N 0.883 120.824 119.950 -0.015 0.000 2.721 208 F HA 0.265 4.796 4.527 0.007 0.000 0.301 208 F C 1.555 177.308 175.800 -0.078 0.000 1.096 208 F CA 0.386 58.398 58.000 0.019 0.000 1.308 208 F CB -0.037 39.022 39.000 0.097 0.000 1.086 208 F HN 0.100 nan 8.300 nan 0.000 0.587 209 S N 0.277 115.982 115.700 0.008 0.000 3.477 209 S HA -0.089 4.386 4.470 0.007 0.000 0.357 209 S C 0.180 174.382 174.600 -0.663 0.000 1.083 209 S CA 0.420 58.504 58.200 -0.192 0.000 1.042 209 S CB -2.095 61.045 63.200 -0.100 0.000 0.911 209 S HN 0.623 nan 8.310 nan 0.000 0.490 210 A N -0.709 121.930 122.820 -0.301 0.000 2.599 210 A HA 0.750 5.075 4.320 0.007 0.000 0.290 210 A C -0.289 177.245 177.584 -0.084 0.000 1.101 210 A CA -0.458 51.408 52.037 -0.284 0.000 0.674 210 A CB 0.361 19.230 19.000 -0.218 0.000 1.277 210 A HN 0.317 nan 8.150 nan 0.000 0.419 211 Y N 0.902 121.006 120.300 -0.327 0.000 2.476 211 Y HA 0.123 4.678 4.550 0.008 0.000 0.283 211 Y C 1.468 177.049 175.900 -0.532 0.000 1.109 211 Y CA 0.888 58.795 58.100 -0.321 0.000 1.246 211 Y CB 0.311 38.622 38.460 -0.250 0.000 1.068 211 Y HN 0.759 nan 8.280 nan 0.000 0.552 212 S N 0.738 115.884 115.700 -0.923 0.000 2.537 212 S HA 0.555 5.030 4.470 0.007 0.000 0.275 212 S C -0.043 173.968 174.600 -0.982 0.000 1.272 212 S CA -0.266 57.178 58.200 -1.259 0.000 1.050 212 S CB 1.644 63.606 63.200 -2.064 0.000 0.961 212 S HN 0.330 nan 8.310 nan 0.000 0.496 213 A N 4.245 126.526 122.820 -0.899 0.000 3.113 213 A HA 0.586 4.910 4.320 0.007 0.000 0.307 213 A C -0.348 176.458 177.584 -1.297 0.000 1.025 213 A CA -0.641 50.746 52.037 -1.082 0.000 1.012 213 A CB -0.336 18.479 19.000 -0.309 0.000 1.085 213 A HN 0.832 nan 8.150 nan 0.000 0.519 214 L N 0.355 120.689 121.223 -1.481 0.000 2.365 214 L HA 0.620 4.965 4.340 0.007 0.000 0.273 214 L C -1.126 175.174 176.870 -0.949 0.000 1.000 214 L CA -0.580 53.724 54.840 -0.894 0.000 0.819 214 L CB 1.973 43.748 42.059 -0.473 0.000 1.284 214 L HN 0.483 nan 8.230 nan 0.000 0.418 215 W N 2.426 123.735 121.300 0.015 0.000 2.740 215 W HA 0.208 4.872 4.660 0.007 0.000 0.316 215 W C -1.127 175.608 176.519 0.362 0.000 1.020 215 W CA -1.113 56.377 57.345 0.241 0.000 1.278 215 W CB 1.103 30.758 29.460 0.325 0.000 1.224 215 W HN 0.496 nan 8.180 nan 0.000 0.393 216 W N 2.466 123.996 121.300 0.383 0.000 2.158 216 W HA 0.206 4.871 4.660 0.008 0.000 0.339 216 W C 1.375 177.751 176.519 -0.239 0.000 1.294 216 W CA 0.379 57.812 57.345 0.146 0.000 1.231 216 W CB 0.769 30.280 29.460 0.086 0.000 1.143 216 W HN 0.184 nan 8.180 nan 0.000 0.571 217 S N 2.276 117.713 115.700 -0.437 0.000 2.593 217 S HA 0.197 4.672 4.470 0.007 0.000 0.269 217 S C -1.769 172.596 174.600 -0.392 0.000 1.334 217 S CA -1.083 56.349 58.200 -1.281 0.000 1.015 217 S CB 1.164 63.542 63.200 -1.371 0.000 0.912 217 S HN 0.288 nan 8.310 nan 0.000 0.541 218 P HA -0.104 nan 4.420 nan 0.000 0.218 218 P C 0.635 177.904 177.300 -0.052 0.000 1.146 218 P CA 1.355 64.423 63.100 -0.053 0.000 0.813 218 P CB -0.221 31.491 31.700 0.020 0.000 0.778 219 N N -2.330 116.319 118.700 -0.086 0.000 2.187 219 N HA 0.165 4.910 4.740 0.007 0.000 0.212 219 N C 1.102 176.532 175.510 -0.133 0.000 1.152 219 N CA 0.270 53.268 53.050 -0.086 0.000 0.872 219 N CB -0.557 37.895 38.487 -0.058 0.000 1.025 219 N HN 0.109 nan 8.380 nan 0.000 0.514 220 G N -0.701 108.017 108.800 -0.137 0.000 2.179 220 G HA2 -0.359 3.606 3.960 0.007 0.000 0.260 220 G HA3 -0.359 3.606 3.960 0.007 0.000 0.260 220 G C 1.031 175.909 174.900 -0.037 0.000 0.977 220 G CA 0.812 45.814 45.100 -0.164 0.000 0.641 220 G HN 0.361 nan 8.290 nan 0.000 0.533 221 T N -0.037 114.444 114.554 -0.122 0.000 2.684 221 T HA 0.114 4.469 4.350 0.007 0.000 0.267 221 T C 0.804 175.335 174.700 -0.282 0.000 1.036 221 T CA 1.459 63.389 62.100 -0.284 0.000 1.148 221 T CB -0.115 68.453 68.868 -0.501 0.000 0.863 221 T HN 0.306 nan 8.240 nan 0.000 0.436 222 F N 0.024 120.023 119.950 0.080 0.000 2.458 222 F HA 0.623 5.154 4.527 0.007 0.000 0.330 222 F C -0.242 175.693 175.800 0.224 0.000 1.082 222 F CA -1.651 56.448 58.000 0.164 0.000 0.995 222 F CB 1.260 40.391 39.000 0.219 0.000 1.170 222 F HN -0.117 nan 8.300 nan 0.000 0.478 223 L N 2.892 124.333 121.223 0.363 0.000 2.316 223 L HA 0.781 5.125 4.340 0.007 0.000 0.280 223 L C -0.599 176.400 176.870 0.215 0.000 1.006 223 L CA -0.400 54.464 54.840 0.041 0.000 0.836 223 L CB 0.835 42.665 42.059 -0.382 0.000 1.221 223 L HN 0.670 nan 8.230 nan 0.000 0.418 224 A N 4.976 127.982 122.820 0.309 0.000 2.301 224 A HA 0.718 5.042 4.320 0.007 0.000 0.312 224 A C -1.347 176.301 177.584 0.107 0.000 1.182 224 A CA -0.274 51.821 52.037 0.098 0.000 0.826 224 A CB 0.376 19.524 19.000 0.246 0.000 1.134 224 A HN 0.800 nan 8.150 nan 0.000 0.501 225 Y N -0.923 119.137 120.300 -0.401 0.000 2.597 225 Y HA 0.774 5.328 4.550 0.007 0.000 0.340 225 Y C -0.237 175.445 175.900 -0.362 0.000 1.097 225 Y CA -0.992 56.955 58.100 -0.256 0.000 1.037 225 Y CB 1.011 39.309 38.460 -0.270 0.000 1.305 225 Y HN 0.853 nan 8.280 nan 0.000 0.463 226 A N 2.343 125.168 122.820 0.009 0.000 2.306 226 A HA 0.629 4.953 4.320 0.007 0.000 0.330 226 A C -1.052 176.359 177.584 -0.290 0.000 1.146 226 A CA -0.827 51.087 52.037 -0.205 0.000 0.827 226 A CB 1.547 20.383 19.000 -0.274 0.000 1.178 226 A HN 0.811 nan 8.150 nan 0.000 0.490 227 Q N 1.111 120.700 119.800 -0.352 0.000 2.330 227 Q HA 0.585 4.929 4.340 0.007 0.000 0.269 227 Q C -2.038 173.726 176.000 -0.393 0.000 1.022 227 Q CA -0.366 55.316 55.803 -0.201 0.000 0.796 227 Q CB 1.013 29.866 28.738 0.192 0.000 1.271 227 Q HN 0.599 nan 8.270 nan 0.000 0.450 228 F N 2.341 122.372 119.950 0.135 0.000 2.436 228 F HA 0.409 4.940 4.527 0.008 0.000 0.340 228 F C 0.454 176.393 175.800 0.231 0.000 1.113 228 F CA -0.936 57.131 58.000 0.113 0.000 1.022 228 F CB 1.256 40.241 39.000 -0.025 0.000 1.128 228 F HN 0.412 nan 8.300 nan 0.000 0.466 229 N N 2.010 120.924 118.700 0.357 0.000 2.476 229 N HA 0.211 4.955 4.740 0.007 0.000 0.257 229 N C -1.018 174.657 175.510 0.274 0.000 0.970 229 N CA -0.324 52.891 53.050 0.276 0.000 0.938 229 N CB 1.053 39.650 38.487 0.184 0.000 1.144 229 N HN 0.549 nan 8.380 nan 0.000 0.500 230 D N 1.725 122.303 120.400 0.298 0.000 2.615 230 D HA 0.161 4.805 4.640 0.007 0.000 0.236 230 D C 1.024 177.431 176.300 0.179 0.000 1.233 230 D CA 0.075 54.230 54.000 0.259 0.000 0.829 230 D CB 0.519 41.533 40.800 0.356 0.000 1.024 230 D HN 0.460 nan 8.370 nan 0.000 0.490 231 T N 0.059 114.697 114.554 0.141 0.000 2.746 231 T HA -0.141 4.213 4.350 0.007 0.000 0.267 231 T C 1.201 175.952 174.700 0.085 0.000 1.039 231 T CA 1.127 63.286 62.100 0.099 0.000 1.142 231 T CB 0.053 68.969 68.868 0.080 0.000 0.866 231 T HN 0.339 nan 8.240 nan 0.000 0.444 232 E N 0.526 120.778 120.200 0.087 0.000 2.548 232 E HA 0.215 4.570 4.350 0.007 0.000 0.206 232 E C -0.526 176.120 176.600 0.077 0.000 1.005 232 E CA -0.188 56.254 56.400 0.070 0.000 0.951 232 E CB 0.678 30.413 29.700 0.058 0.000 1.035 232 E HN 0.195 nan 8.360 nan 0.000 0.470 233 V N 3.920 123.894 119.914 0.099 0.000 2.479 233 V HA 0.095 4.220 4.120 0.007 0.000 0.281 233 V C -1.965 174.185 176.094 0.094 0.000 1.031 233 V CA -1.354 61.010 62.300 0.106 0.000 1.038 233 V CB 0.078 31.982 31.823 0.135 0.000 0.981 233 V HN 0.044 nan 8.190 nan 0.000 0.478 234 P HA 0.285 nan 4.420 nan 0.000 0.272 234 P C -0.760 176.579 177.300 0.065 0.000 1.230 234 P CA -0.307 62.831 63.100 0.063 0.000 0.788 234 P CB 0.516 32.251 31.700 0.057 0.000 0.949 235 L N 1.753 122.991 121.223 0.026 0.000 2.295 235 L HA 0.456 4.800 4.340 0.007 0.000 0.285 235 L C 0.338 177.165 176.870 -0.072 0.000 1.035 235 L CA -1.008 53.831 54.840 -0.002 0.000 0.806 235 L CB 1.038 43.089 42.059 -0.014 0.000 1.214 235 L HN 0.281 nan 8.230 nan 0.000 0.426 236 I N 2.670 123.155 120.570 -0.141 0.000 2.441 236 I HA 0.181 4.356 4.170 0.007 0.000 0.287 236 I C -0.163 175.810 176.117 -0.239 0.000 1.049 236 I CA 0.417 61.537 61.300 -0.300 0.000 1.381 236 I CB 0.581 38.160 38.000 -0.702 0.000 1.409 236 I HN 0.574 nan 8.210 nan 0.000 0.523 237 E N 7.421 127.496 120.200 -0.209 0.000 2.212 237 E HA 0.526 4.880 4.350 0.007 0.000 0.268 237 E C -1.693 174.828 176.600 -0.133 0.000 0.902 237 E CA -0.610 55.659 56.400 -0.219 0.000 0.779 237 E CB 1.983 31.588 29.700 -0.157 0.000 1.172 237 E HN 0.580 nan 8.360 nan 0.000 0.409 238 Y N -1.990 118.216 120.300 -0.157 0.000 2.638 238 Y HA 0.502 5.056 4.550 0.007 0.000 0.335 238 Y C -0.698 175.113 175.900 -0.149 0.000 1.155 238 Y CA -1.321 56.686 58.100 -0.156 0.000 1.046 238 Y CB 0.750 39.120 38.460 -0.151 0.000 1.303 238 Y HN 0.204 nan 8.280 nan 0.000 0.460 239 S N 1.780 117.448 115.700 -0.053 0.000 2.565 239 S HA 0.433 4.907 4.470 0.007 0.000 0.276 239 S C -1.314 173.113 174.600 -0.289 0.000 1.326 239 S CA -0.380 57.637 58.200 -0.305 0.000 1.045 239 S CB 0.228 63.069 63.200 -0.598 0.000 0.918 239 S HN 0.532 nan 8.310 nan 0.000 0.505 240 F N 2.451 122.144 119.950 -0.428 0.000 2.467 240 F HA 0.421 4.953 4.527 0.008 0.000 0.336 240 F C -0.119 175.448 175.800 -0.388 0.000 1.123 240 F CA -0.735 57.079 58.000 -0.310 0.000 0.964 240 F CB 0.831 39.780 39.000 -0.084 0.000 1.136 240 F HN 0.683 nan 8.300 nan 0.000 0.447 241 Y N 2.756 122.833 120.300 -0.371 0.000 2.476 241 Y HA 0.105 4.660 4.550 0.008 0.000 0.283 241 Y C 1.710 177.511 175.900 -0.164 0.000 1.109 241 Y CA 0.961 58.933 58.100 -0.213 0.000 1.246 241 Y CB -0.407 37.919 38.460 -0.223 0.000 1.068 241 Y HN 0.757 nan 8.280 nan 0.000 0.552 242 S N 0.064 115.616 115.700 -0.247 0.000 3.387 242 S HA -0.289 4.186 4.470 0.007 0.000 0.633 242 S C -0.438 174.195 174.600 0.056 0.000 2.641 242 S CA 0.418 58.648 58.200 0.050 0.000 2.931 242 S CB -1.363 62.029 63.200 0.321 0.000 0.327 242 S HN 0.487 nan 8.310 nan 0.000 1.716 243 D N 1.566 122.028 120.400 0.103 0.000 2.443 243 D HA 0.243 4.887 4.640 0.007 0.000 0.239 243 D C 1.347 177.676 176.300 0.047 0.000 1.136 243 D CA 0.823 54.864 54.000 0.068 0.000 0.879 243 D CB 0.332 41.175 40.800 0.073 0.000 1.195 243 D HN 0.542 nan 8.370 nan 0.000 0.443 244 E N 0.848 121.064 120.200 0.027 0.000 2.253 244 E HA -0.282 4.072 4.350 0.007 0.000 0.202 244 E C 1.256 177.864 176.600 0.014 0.000 1.014 244 E CA 1.394 57.801 56.400 0.011 0.000 0.823 244 E CB 0.117 29.819 29.700 0.003 0.000 0.736 244 E HN 0.503 nan 8.360 nan 0.000 0.478 245 S N -0.195 115.521 115.700 0.026 0.000 2.527 245 S HA 0.017 4.491 4.470 0.007 0.000 0.222 245 S C 1.021 175.643 174.600 0.037 0.000 0.985 245 S CA -0.208 58.008 58.200 0.026 0.000 0.921 245 S CB 0.002 63.219 63.200 0.029 0.000 0.772 245 S HN 0.230 nan 8.310 nan 0.000 0.529 246 L N 2.508 123.761 121.223 0.050 0.000 2.385 246 L HA 0.193 4.538 4.340 0.007 0.000 0.281 246 L C 1.508 178.408 176.870 0.049 0.000 1.106 246 L CA -0.084 54.797 54.840 0.070 0.000 0.856 246 L CB 0.960 43.077 42.059 0.097 0.000 1.186 246 L HN 0.399 nan 8.230 nan 0.000 0.453 247 Q N 3.993 123.823 119.800 0.050 0.000 2.083 247 Q HA -0.100 4.245 4.340 0.007 0.000 0.198 247 Q C -0.546 175.360 176.000 -0.158 0.000 0.969 247 Q CA 1.327 57.101 55.803 -0.047 0.000 0.838 247 Q CB 0.214 28.944 28.738 -0.013 0.000 0.900 247 Q HN 0.598 nan 8.270 nan 0.000 0.436 248 Y N 0.946 121.261 120.300 0.025 0.000 2.328 248 Y HA 0.350 4.904 4.550 0.008 0.000 0.337 248 Y C -1.995 173.922 175.900 0.028 0.000 0.966 248 Y CA -2.862 55.251 58.100 0.022 0.000 1.136 248 Y CB 1.206 39.670 38.460 0.008 0.000 1.170 248 Y HN 0.173 nan 8.280 nan 0.000 0.470 249 P HA -0.006 nan 4.420 nan 0.000 0.266 249 P C -0.578 176.751 177.300 0.048 0.000 1.193 249 P CA -0.290 62.856 63.100 0.078 0.000 0.770 249 P CB 0.737 32.455 31.700 0.030 0.000 0.836 250 K N 0.985 121.406 120.400 0.035 0.000 2.270 250 K HA 0.273 4.598 4.320 0.007 0.000 0.276 250 K C -0.308 176.260 176.600 -0.053 0.000 1.023 250 K CA -0.041 56.258 56.287 0.020 0.000 0.955 250 K CB 0.330 32.880 32.500 0.082 0.000 0.975 250 K HN 0.374 nan 8.250 nan 0.000 0.471 251 T N 2.873 117.378 114.554 -0.082 0.000 2.770 251 T HA 0.219 4.573 4.350 0.007 0.000 0.297 251 T C -0.502 174.078 174.700 -0.200 0.000 0.997 251 T CA -0.680 61.333 62.100 -0.144 0.000 0.949 251 T CB 0.831 69.627 68.868 -0.120 0.000 0.941 251 T HN 0.185 nan 8.240 nan 0.000 0.457 252 V N 5.362 125.071 119.914 -0.341 0.000 2.583 252 V HA 0.413 4.537 4.120 0.007 0.000 0.287 252 V C 0.461 176.272 176.094 -0.471 0.000 1.051 252 V CA -0.412 61.626 62.300 -0.437 0.000 1.010 252 V CB 0.779 32.203 31.823 -0.666 0.000 0.988 252 V HN 0.721 nan 8.190 nan 0.000 0.478 253 R N 3.334 123.681 120.500 -0.254 0.000 2.502 253 R HA 0.733 5.077 4.340 0.007 0.000 0.300 253 R C -1.732 174.540 176.300 -0.045 0.000 0.984 253 R CA -0.595 55.404 56.100 -0.168 0.000 0.882 253 R CB 2.223 32.461 30.300 -0.103 0.000 1.180 253 R HN 0.521 nan 8.270 nan 0.000 0.444 254 V N 2.897 122.790 119.914 -0.034 0.000 2.638 254 V HA 0.399 4.523 4.120 0.007 0.000 0.306 254 V C -2.441 173.697 176.094 0.074 0.000 1.052 254 V CA -2.661 59.686 62.300 0.078 0.000 0.885 254 V CB 2.142 33.976 31.823 0.017 0.000 0.999 254 V HN 0.610 nan 8.190 nan 0.000 0.424 255 P HA 0.225 nan 4.420 nan 0.000 0.271 255 P C -1.292 176.105 177.300 0.162 0.000 1.226 255 P CA 0.341 63.535 63.100 0.156 0.000 0.765 255 P CB -0.106 31.721 31.700 0.213 0.000 0.835 256 Y N 5.666 125.948 120.300 -0.030 0.000 2.287 256 Y HA 0.338 4.893 4.550 0.008 0.000 0.325 256 Y C -2.741 173.140 175.900 -0.032 0.000 1.139 256 Y CA -2.691 55.347 58.100 -0.104 0.000 1.167 256 Y CB 1.952 40.234 38.460 -0.297 0.000 1.158 256 Y HN 0.298 nan 8.280 nan 0.000 0.434 257 P HA 0.231 nan 4.420 nan 0.000 0.287 257 P C -1.053 176.353 177.300 0.176 0.000 1.307 257 P CA -0.096 63.081 63.100 0.129 0.000 0.777 257 P CB 1.437 33.180 31.700 0.072 0.000 0.883 258 K N 1.976 122.542 120.400 0.276 0.000 2.102 258 K HA 0.539 4.864 4.320 0.007 0.000 0.244 258 K C 0.515 177.234 176.600 0.198 0.000 1.021 258 K CA -0.768 55.693 56.287 0.291 0.000 0.913 258 K CB 0.633 33.297 32.500 0.273 0.000 1.062 258 K HN 0.447 nan 8.250 nan 0.000 0.485 259 A N 0.604 123.562 122.820 0.231 0.000 2.566 259 A HA 0.298 4.623 4.320 0.007 0.000 0.245 259 A C 1.136 178.774 177.584 0.090 0.000 1.056 259 A CA 0.981 53.139 52.037 0.202 0.000 0.757 259 A CB -1.109 18.097 19.000 0.343 0.000 0.979 259 A HN 0.898 nan 8.150 nan 0.000 0.508 260 G N 0.790 109.630 108.800 0.067 0.000 2.184 260 G HA2 0.107 4.071 3.960 0.007 0.000 0.264 260 G HA3 0.107 4.071 3.960 0.007 0.000 0.264 260 G C 0.651 175.570 174.900 0.031 0.000 0.975 260 G CA 0.777 45.886 45.100 0.016 0.000 0.642 260 G HN 2.146 nan 8.290 nan 0.000 0.536 261 A N -0.544 122.313 122.820 0.062 0.000 2.249 261 A HA 0.762 5.086 4.320 0.007 0.000 0.281 261 A C 0.840 178.460 177.584 0.061 0.000 1.127 261 A CA 0.262 52.337 52.037 0.064 0.000 0.833 261 A CB 0.689 19.744 19.000 0.091 0.000 1.140 261 A HN 1.145 nan 8.150 nan 0.000 0.502 262 V N 2.369 122.318 119.914 0.059 0.000 2.529 262 V HA 0.033 4.158 4.120 0.007 0.000 0.292 262 V C 0.223 176.363 176.094 0.077 0.000 1.028 262 V CA -0.106 62.228 62.300 0.057 0.000 1.074 262 V CB -0.180 31.676 31.823 0.055 0.000 0.958 262 V HN 0.770 nan 8.190 nan 0.000 0.481 263 N N 6.473 125.216 118.700 0.072 0.000 2.508 263 N HA 0.433 5.178 4.740 0.007 0.000 0.285 263 N C -2.320 173.267 175.510 0.128 0.000 1.144 263 N CA -1.517 51.597 53.050 0.106 0.000 0.978 263 N CB 1.008 39.552 38.487 0.095 0.000 1.180 263 N HN 0.398 nan 8.380 nan 0.000 0.484 264 P HA 0.024 nan 4.420 nan 0.000 0.269 264 P C -0.404 177.032 177.300 0.227 0.000 1.217 264 P CA 0.019 63.261 63.100 0.238 0.000 0.783 264 P CB 0.257 32.146 31.700 0.315 0.000 0.898 265 T N -1.651 113.023 114.554 0.200 0.000 2.952 265 T HA 0.593 4.948 4.350 0.007 0.000 0.286 265 T C -0.307 174.513 174.700 0.200 0.000 1.024 265 T CA -0.877 61.304 62.100 0.134 0.000 1.029 265 T CB 1.596 70.505 68.868 0.068 0.000 1.094 265 T HN 0.328 nan 8.240 nan 0.000 0.515 266 V N 0.526 120.534 119.914 0.157 0.000 2.841 266 V HA 0.724 4.848 4.120 0.007 0.000 0.310 266 V C -1.452 174.724 176.094 0.137 0.000 1.090 266 V CA -0.847 61.529 62.300 0.127 0.000 0.930 266 V CB 2.077 34.026 31.823 0.210 0.000 1.014 266 V HN 1.009 nan 8.190 nan 0.000 0.425 267 K N 4.489 124.900 120.400 0.019 0.000 2.426 267 K HA 0.560 4.884 4.320 0.007 0.000 0.251 267 K C -1.888 174.615 176.600 -0.162 0.000 0.941 267 K CA -0.495 55.756 56.287 -0.059 0.000 0.808 267 K CB 2.800 35.233 32.500 -0.112 0.000 1.265 267 K HN 0.545 nan 8.250 nan 0.000 0.432 268 F N 2.428 122.093 119.950 -0.474 0.000 2.482 268 F HA 0.546 5.078 4.527 0.007 0.000 0.331 268 F C -1.333 173.955 175.800 -0.852 0.000 1.115 268 F CA -0.608 57.092 58.000 -0.499 0.000 0.955 268 F CB 0.772 39.615 39.000 -0.262 0.000 1.136 268 F HN 0.377 nan 8.300 nan 0.000 0.452 269 F N 3.900 123.174 119.950 -1.127 0.000 2.603 269 F HA 0.769 5.301 4.527 0.007 0.000 0.317 269 F C -0.954 174.227 175.800 -1.032 0.000 1.066 269 F CA -1.167 56.251 58.000 -0.970 0.000 0.941 269 F CB 2.175 40.464 39.000 -1.184 0.000 1.291 269 F HN 0.079 nan 8.300 nan 0.000 0.472 270 V N 2.530 122.253 119.914 -0.319 0.000 2.623 270 V HA 0.541 4.666 4.120 0.007 0.000 0.304 270 V C -1.120 175.082 176.094 0.179 0.000 1.054 270 V CA -0.802 61.396 62.300 -0.171 0.000 0.882 270 V CB 1.836 33.360 31.823 -0.498 0.000 1.002 270 V HN 0.591 nan 8.190 nan 0.000 0.424 271 V N 3.853 123.944 119.914 0.295 0.000 2.715 271 V HA 0.592 4.716 4.120 0.007 0.000 0.310 271 V C -0.375 175.985 176.094 0.443 0.000 1.054 271 V CA -0.598 61.903 62.300 0.335 0.000 0.928 271 V CB 2.194 34.154 31.823 0.229 0.000 1.007 271 V HN 0.934 nan 8.190 nan 0.000 0.437 272 N N 3.057 121.975 118.700 0.363 0.000 2.420 272 N HA 0.171 4.915 4.740 0.007 0.000 0.249 272 N C 0.949 176.478 175.510 0.031 0.000 1.033 272 N CA 0.462 53.610 53.050 0.164 0.000 0.944 272 N CB 1.689 40.248 38.487 0.120 0.000 1.113 272 N HN 0.864 nan 8.380 nan 0.000 0.502 273 T N -0.396 114.164 114.554 0.009 0.000 3.088 273 T HA 0.020 4.375 4.350 0.007 0.000 0.259 273 T C 0.830 175.498 174.700 -0.054 0.000 1.122 273 T CA 0.535 62.650 62.100 0.024 0.000 1.095 273 T CB 0.203 69.188 68.868 0.195 0.000 0.930 273 T HN 0.265 nan 8.240 nan 0.000 0.508 274 D N 2.448 122.782 120.400 -0.110 0.000 2.234 274 D HA 0.003 4.647 4.640 0.007 0.000 0.205 274 D C 0.915 177.159 176.300 -0.093 0.000 0.962 274 D CA 0.882 54.816 54.000 -0.110 0.000 0.855 274 D CB 0.010 40.721 40.800 -0.148 0.000 0.951 274 D HN 0.619 nan 8.370 nan 0.000 0.500 275 S N 0.708 116.355 115.700 -0.089 0.000 2.328 275 S HA 0.463 4.937 4.470 0.007 0.000 0.204 275 S C -0.547 173.983 174.600 -0.118 0.000 1.475 275 S CA -0.813 57.343 58.200 -0.074 0.000 1.148 275 S CB 0.487 63.673 63.200 -0.024 0.000 1.077 275 S HN -0.134 nan 8.310 nan 0.000 0.479 276 L N 2.707 123.790 121.223 -0.232 0.000 2.342 276 L HA 0.564 4.908 4.340 0.007 0.000 0.276 276 L C 0.146 176.757 176.870 -0.431 0.000 0.997 276 L CA -0.091 54.485 54.840 -0.440 0.000 0.838 276 L CB 1.597 43.143 42.059 -0.855 0.000 1.224 276 L HN 0.723 nan 8.230 nan 0.000 0.416 277 S N 0.998 116.587 115.700 -0.186 0.000 2.525 277 S HA 0.314 4.789 4.470 0.007 0.000 0.278 277 S C 1.040 175.726 174.600 0.143 0.000 1.234 277 S CA -0.001 58.193 58.200 -0.010 0.000 1.058 277 S CB 0.904 64.116 63.200 0.021 0.000 0.983 277 S HN 0.675 nan 8.310 nan 0.000 0.495 278 S N 3.595 119.460 115.700 0.274 0.000 2.634 278 S HA 0.158 4.633 4.470 0.007 0.000 0.221 278 S C 0.811 175.514 174.600 0.172 0.000 0.952 278 S CA -0.118 58.268 58.200 0.310 0.000 0.930 278 S CB -0.020 63.343 63.200 0.273 0.000 0.780 278 S HN 0.524 nan 8.310 nan 0.000 0.498 279 V N -0.108 119.882 119.914 0.127 0.000 2.996 279 V HA 0.266 4.391 4.120 0.007 0.000 0.235 279 V C 1.198 177.331 176.094 0.067 0.000 1.205 279 V CA 0.838 63.188 62.300 0.083 0.000 1.225 279 V CB 0.365 32.225 31.823 0.061 0.000 0.995 279 V HN 0.536 nan 8.190 nan 0.000 0.484 280 T N 0.618 115.210 114.554 0.062 0.000 2.929 280 T HA 0.336 4.691 4.350 0.007 0.000 0.284 280 T C -0.177 174.560 174.700 0.061 0.000 1.014 280 T CA -0.492 61.633 62.100 0.042 0.000 1.051 280 T CB 0.798 69.682 68.868 0.026 0.000 1.028 280 T HN 0.188 nan 8.240 nan 0.000 0.485 281 N N 2.323 121.045 118.700 0.037 0.000 2.458 281 N HA 0.275 5.019 4.740 0.007 0.000 0.258 281 N C -0.087 175.466 175.510 0.072 0.000 1.219 281 N CA -0.031 53.059 53.050 0.067 0.000 0.902 281 N CB 0.838 39.307 38.487 -0.030 0.000 1.076 281 N HN 0.798 nan 8.380 nan 0.000 0.455 282 A N 2.079 124.960 122.820 0.103 0.000 2.520 282 A HA 0.102 4.427 4.320 0.007 0.000 0.245 282 A C 0.721 178.349 177.584 0.074 0.000 1.072 282 A CA 0.099 52.175 52.037 0.066 0.000 0.761 282 A CB -0.090 18.938 19.000 0.047 0.000 1.004 282 A HN 0.540 nan 8.150 nan 0.000 0.499 283 T N 2.434 117.036 114.554 0.079 0.000 2.743 283 T HA 0.442 4.796 4.350 0.007 0.000 0.293 283 T C 0.051 174.833 174.700 0.137 0.000 0.945 283 T CA -0.191 61.967 62.100 0.097 0.000 1.030 283 T CB -0.101 68.828 68.868 0.101 0.000 0.912 283 T HN 0.529 nan 8.240 nan 0.000 0.483 284 S N 5.791 121.566 115.700 0.125 0.000 2.429 284 S HA 0.491 4.965 4.470 0.007 0.000 0.302 284 S C -0.019 174.735 174.600 0.257 0.000 1.115 284 S CA -0.818 57.483 58.200 0.168 0.000 1.095 284 S CB 0.276 63.504 63.200 0.047 0.000 0.987 284 S HN 0.631 nan 8.310 nan 0.000 0.474 285 I N 3.789 124.530 120.570 0.285 0.000 2.337 285 I HA 0.208 4.382 4.170 0.007 0.000 0.291 285 I C 0.641 176.879 176.117 0.202 0.000 1.046 285 I CA -0.255 61.215 61.300 0.284 0.000 1.324 285 I CB 0.543 38.782 38.000 0.399 0.000 1.409 285 I HN 0.682 nan 8.210 nan 0.000 0.494 286 Q N 6.734 126.628 119.800 0.156 0.000 2.314 286 Q HA 0.394 4.738 4.340 0.007 0.000 0.258 286 Q C -1.021 174.909 176.000 -0.117 0.000 0.954 286 Q CA -0.120 55.565 55.803 -0.196 0.000 0.890 286 Q CB 1.011 29.603 28.738 -0.244 0.000 1.210 286 Q HN 0.583 nan 8.270 nan 0.000 0.410 287 I N 4.566 125.040 120.570 -0.160 0.000 2.371 287 I HA 0.189 4.364 4.170 0.007 0.000 0.282 287 I C 0.206 176.284 176.117 -0.066 0.000 1.031 287 I CA -0.794 60.478 61.300 -0.046 0.000 1.180 287 I CB 1.245 39.250 38.000 0.008 0.000 1.336 287 I HN 0.727 nan 8.210 nan 0.000 0.467 288 T N 3.233 117.715 114.554 -0.119 0.000 2.918 288 T HA 0.541 4.896 4.350 0.007 0.000 0.302 288 T C 0.541 175.033 174.700 -0.346 0.000 1.045 288 T CA -0.734 61.245 62.100 -0.202 0.000 1.114 288 T CB 1.366 70.126 68.868 -0.180 0.000 0.965 288 T HN 0.582 nan 8.240 nan 0.000 0.540 289 A N 4.839 127.239 122.820 -0.699 0.000 2.448 289 A HA 0.493 4.818 4.320 0.007 0.000 0.239 289 A C -1.735 175.386 177.584 -0.771 0.000 1.080 289 A CA -1.296 49.943 52.037 -1.330 0.000 0.779 289 A CB -0.756 17.008 19.000 -2.060 0.000 1.026 289 A HN 0.848 nan 8.150 nan 0.000 0.499 290 P HA 0.141 nan 4.420 nan 0.000 0.269 290 P C 0.798 177.895 177.300 -0.338 0.000 1.215 290 P CA 0.609 63.481 63.100 -0.379 0.000 0.780 290 P CB 0.673 32.214 31.700 -0.266 0.000 0.898 291 A N 2.869 125.556 122.820 -0.222 0.000 1.927 291 A HA -0.233 4.092 4.320 0.007 0.000 0.220 291 A C 2.171 179.650 177.584 -0.175 0.000 1.185 291 A CA 2.614 54.542 52.037 -0.181 0.000 0.639 291 A CB -1.868 17.057 19.000 -0.124 0.000 0.820 291 A HN 0.675 nan 8.150 nan 0.000 0.451 292 S N -1.529 114.086 115.700 -0.141 0.000 2.500 292 S HA -0.049 4.425 4.470 0.007 0.000 0.239 292 S C 1.613 176.129 174.600 -0.140 0.000 0.989 292 S CA 1.473 59.608 58.200 -0.108 0.000 0.951 292 S CB -0.238 62.963 63.200 0.003 0.000 0.759 292 S HN 0.445 nan 8.310 nan 0.000 0.523 293 M N 0.402 119.856 119.600 -0.244 0.000 2.657 293 M HA 0.371 4.855 4.480 0.007 0.000 0.262 293 M C 1.844 177.877 176.300 -0.445 0.000 1.213 293 M CA 0.549 55.638 55.300 -0.352 0.000 1.182 293 M CB -0.857 31.398 32.600 -0.575 0.000 1.303 293 M HN 0.313 nan 8.290 nan 0.000 0.501 294 L N 0.003 120.970 121.223 -0.427 0.000 2.362 294 L HA -0.133 4.211 4.340 0.007 0.000 0.219 294 L C 2.270 179.068 176.870 -0.120 0.000 1.134 294 L CA 0.458 55.130 54.840 -0.280 0.000 0.807 294 L CB -0.648 41.265 42.059 -0.242 0.000 0.927 294 L HN 0.172 nan 8.230 nan 0.000 0.447 295 I N -0.286 120.210 120.570 -0.123 0.000 2.657 295 I HA -0.103 4.071 4.170 0.007 0.000 0.261 295 I C 1.116 177.208 176.117 -0.043 0.000 1.212 295 I CA 0.886 62.138 61.300 -0.080 0.000 1.453 295 I CB -0.144 37.798 38.000 -0.098 0.000 1.092 295 I HN 0.198 nan 8.210 nan 0.000 0.452 296 G N -1.750 107.045 108.800 -0.008 0.000 2.650 296 G HA2 0.213 4.178 3.960 0.007 0.000 0.310 296 G HA3 0.213 4.178 3.960 0.007 0.000 0.310 296 G C -1.610 173.348 174.900 0.096 0.000 1.270 296 G CA -0.641 44.471 45.100 0.020 0.000 0.810 296 G HN -0.141 nan 8.290 nan 0.000 0.493 297 D N 1.300 121.707 120.400 0.012 0.000 2.414 297 D HA 0.445 5.089 4.640 0.007 0.000 0.242 297 D C 0.165 176.410 176.300 -0.092 0.000 1.129 297 D CA 0.666 54.612 54.000 -0.089 0.000 0.885 297 D CB 0.492 41.207 40.800 -0.142 0.000 1.198 297 D HN 0.543 nan 8.370 nan 0.000 0.437 298 H N -0.505 118.417 119.070 -0.245 0.000 3.014 298 H HA 0.361 4.922 4.556 0.008 0.000 0.337 298 H C -1.499 173.699 175.328 -0.217 0.000 1.320 298 H CA -0.809 55.111 56.048 -0.213 0.000 1.128 298 H CB 0.211 29.976 29.762 0.004 0.000 1.862 298 H HN 0.249 nan 8.280 nan 0.000 0.536 299 Y N 0.537 121.072 120.300 0.391 0.000 2.446 299 Y HA 0.347 4.902 4.550 0.007 0.000 0.345 299 Y C -0.052 176.118 175.900 0.450 0.000 0.984 299 Y CA -1.122 57.204 58.100 0.376 0.000 1.058 299 Y CB 1.999 40.527 38.460 0.113 0.000 1.220 299 Y HN 0.499 nan 8.280 nan 0.000 0.455 300 L N 4.016 125.570 121.223 0.551 0.000 2.315 300 L HA 0.276 4.620 4.340 0.007 0.000 0.283 300 L C 0.622 177.525 176.870 0.056 0.000 1.089 300 L CA -0.028 54.765 54.840 -0.078 0.000 0.833 300 L CB 0.128 42.004 42.059 -0.305 0.000 1.170 300 L HN 1.018 nan 8.230 nan 0.000 0.442 301 C N 1.082 120.271 119.300 -0.183 0.000 3.065 301 C HA 0.560 5.024 4.460 0.007 0.000 0.285 301 C C 0.310 175.054 174.990 -0.411 0.000 1.257 301 C CA -0.116 58.714 59.018 -0.313 0.000 1.691 301 C CB -1.059 26.566 27.740 -0.192 0.000 2.089 301 C HN 0.883 nan 8.230 nan 0.000 0.630 302 D N -0.583 119.619 120.400 -0.330 0.000 2.803 302 D HA 0.577 5.221 4.640 0.007 0.000 0.218 302 D C -1.595 174.440 176.300 -0.441 0.000 1.245 302 D CA -0.182 53.664 54.000 -0.257 0.000 0.821 302 D CB 2.271 42.931 40.800 -0.235 0.000 1.626 302 D HN -0.003 nan 8.370 nan 0.000 0.487 303 V N 2.450 122.069 119.914 -0.490 0.000 2.525 303 V HA 0.679 4.803 4.120 0.007 0.000 0.299 303 V C -0.710 175.033 176.094 -0.585 0.000 1.034 303 V CA -0.429 61.358 62.300 -0.855 0.000 0.863 303 V CB 1.996 32.811 31.823 -1.681 0.000 0.999 303 V HN 0.741 nan 8.190 nan 0.000 0.423 304 T N 3.436 117.702 114.554 -0.480 0.000 3.011 304 T HA 0.357 4.711 4.350 0.007 0.000 0.303 304 T C -0.943 173.601 174.700 -0.260 0.000 0.997 304 T CA -0.479 61.490 62.100 -0.219 0.000 1.007 304 T CB 0.868 69.681 68.868 -0.091 0.000 1.017 304 T HN 0.514 nan 8.240 nan 0.000 0.443 305 W N 2.036 123.280 121.300 -0.093 0.000 2.238 305 W HA 0.502 5.167 4.660 0.007 0.000 0.321 305 W C 1.100 177.485 176.519 -0.224 0.000 1.293 305 W CA -0.388 56.895 57.345 -0.104 0.000 1.204 305 W CB 0.671 30.158 29.460 0.045 0.000 1.167 305 W HN 0.867 nan 8.180 nan 0.000 0.553 306 A N 1.952 124.660 122.820 -0.188 0.000 1.938 306 A HA 0.180 4.504 4.320 0.007 0.000 0.207 306 A C 0.993 178.521 177.584 -0.093 0.000 1.292 306 A CA 1.498 53.179 52.037 -0.594 0.000 0.700 306 A CB -0.462 17.719 19.000 -1.365 0.000 0.947 306 A HN 0.525 nan 8.150 nan 0.000 0.476 307 T N -5.104 109.494 114.554 0.074 0.000 2.604 307 T HA 0.357 4.711 4.350 0.007 0.000 0.267 307 T C 0.266 175.112 174.700 0.243 0.000 0.923 307 T CA -0.387 61.804 62.100 0.151 0.000 1.077 307 T CB 0.548 69.494 68.868 0.129 0.000 1.392 307 T HN -0.022 nan 8.240 nan 0.000 0.531 308 Q N 0.159 120.074 119.800 0.192 0.000 2.435 308 Q HA 0.158 4.502 4.340 0.007 0.000 0.207 308 Q C 0.738 176.950 176.000 0.353 0.000 0.956 308 Q CA 1.113 57.024 55.803 0.180 0.000 0.917 308 Q CB 0.069 28.878 28.738 0.119 0.000 0.997 308 Q HN 0.804 nan 8.270 nan 0.000 0.497 309 E N -0.357 120.078 120.200 0.391 0.000 2.743 309 E HA 0.154 4.509 4.350 0.007 0.000 0.222 309 E C -0.188 176.677 176.600 0.441 0.000 0.959 309 E CA -0.135 56.513 56.400 0.414 0.000 1.198 309 E CB 1.158 31.012 29.700 0.256 0.000 1.100 309 E HN -0.055 nan 8.360 nan 0.000 0.518 310 R N 1.664 122.428 120.500 0.440 0.000 2.513 310 R HA 0.555 4.900 4.340 0.007 0.000 0.301 310 R C -1.628 174.720 176.300 0.080 0.000 0.968 310 R CA -0.450 55.798 56.100 0.247 0.000 0.872 310 R CB 1.242 31.582 30.300 0.068 0.000 1.177 310 R HN 0.049 nan 8.270 nan 0.000 0.444 311 I N 3.144 123.617 120.570 -0.162 0.000 2.608 311 I HA 0.430 4.605 4.170 0.007 0.000 0.295 311 I C -0.982 174.852 176.117 -0.472 0.000 1.049 311 I CA -0.530 60.414 61.300 -0.594 0.000 1.063 311 I CB 2.253 39.509 38.000 -1.239 0.000 1.248 311 I HN 0.867 nan 8.210 nan 0.000 0.424 312 S N 7.268 122.669 115.700 -0.498 0.000 2.472 312 S HA 0.798 5.273 4.470 0.007 0.000 0.303 312 S C -1.086 173.205 174.600 -0.515 0.000 1.099 312 S CA -0.709 57.264 58.200 -0.378 0.000 1.077 312 S CB 1.730 64.807 63.200 -0.205 0.000 1.031 312 S HN 0.432 nan 8.310 nan 0.000 0.487 313 L N 2.260 123.191 121.223 -0.487 0.000 2.385 313 L HA 0.528 4.872 4.340 0.007 0.000 0.273 313 L C -0.150 176.421 176.870 -0.498 0.000 0.990 313 L CA -0.352 54.087 54.840 -0.668 0.000 0.821 313 L CB 1.964 43.520 42.059 -0.838 0.000 1.279 313 L HN 0.747 nan 8.230 nan 0.000 0.412 314 Q N 1.747 121.217 119.800 -0.551 0.000 2.282 314 Q HA 0.551 4.896 4.340 0.007 0.000 0.260 314 Q C -1.612 174.138 176.000 -0.416 0.000 0.964 314 Q CA -0.452 55.145 55.803 -0.345 0.000 0.880 314 Q CB 1.945 30.534 28.738 -0.247 0.000 1.286 314 Q HN 0.487 nan 8.270 nan 0.000 0.445 315 W N 2.272 123.520 121.300 -0.086 0.000 2.781 315 W HA 0.661 5.325 4.660 0.007 0.000 0.345 315 W C -0.893 175.654 176.519 0.046 0.000 1.085 315 W CA -0.534 56.811 57.345 0.000 0.000 1.198 315 W CB 1.310 30.751 29.460 -0.032 0.000 1.423 315 W HN 0.321 nan 8.180 nan 0.000 0.532 316 L N 2.647 124.103 121.223 0.389 0.000 2.436 316 L HA 0.525 4.870 4.340 0.007 0.000 0.268 316 L C 0.100 177.169 176.870 0.332 0.000 0.974 316 L CA -1.142 53.884 54.840 0.311 0.000 0.826 316 L CB 1.715 43.947 42.059 0.288 0.000 1.291 316 L HN 0.466 nan 8.230 nan 0.000 0.406 317 R N 1.788 122.451 120.500 0.270 0.000 2.694 317 R HA 0.088 4.432 4.340 0.007 0.000 0.268 317 R C 1.014 177.401 176.300 0.145 0.000 1.061 317 R CA -0.079 56.127 56.100 0.177 0.000 1.133 317 R CB 0.719 31.101 30.300 0.135 0.000 1.020 317 R HN 0.551 nan 8.270 nan 0.000 0.475 318 R N 1.895 122.395 120.500 0.000 0.000 2.117 318 R HA -0.116 4.229 4.340 0.007 0.000 0.243 318 R C 0.271 176.646 176.300 0.125 0.000 1.143 318 R CA 1.336 57.444 56.100 0.013 0.000 0.968 318 R CB -0.116 30.126 30.300 -0.097 0.000 0.863 318 R HN 0.508 nan 8.270 nan 0.000 0.444 319 I N 2.466 123.084 120.570 0.079 0.000 2.372 319 I HA -0.018 4.156 4.170 0.007 0.000 0.298 319 I C 0.394 176.578 176.117 0.111 0.000 1.137 319 I CA 0.362 61.708 61.300 0.076 0.000 1.314 319 I CB 1.161 39.189 38.000 0.048 0.000 1.444 319 I HN 0.201 nan 8.210 nan 0.000 0.541 320 Q N 4.754 124.618 119.800 0.107 0.000 2.292 320 Q HA -0.034 4.310 4.340 0.007 0.000 0.235 320 Q C 0.541 176.621 176.000 0.134 0.000 0.910 320 Q CA 0.003 55.880 55.803 0.124 0.000 0.952 320 Q CB -0.422 28.342 28.738 0.043 0.000 1.089 320 Q HN 0.685 nan 8.270 nan 0.000 0.431 321 N N -0.738 118.045 118.700 0.138 0.000 2.234 321 N HA -0.031 4.714 4.740 0.007 0.000 0.227 321 N C -1.068 174.550 175.510 0.179 0.000 1.151 321 N CA -0.214 52.909 53.050 0.122 0.000 0.865 321 N CB 0.275 38.809 38.487 0.078 0.000 1.066 321 N HN 0.196 nan 8.380 nan 0.000 0.515 322 Y N 0.905 121.231 120.300 0.044 0.000 2.323 322 Y HA 0.484 5.038 4.550 0.007 0.000 0.322 322 Y C -1.251 174.683 175.900 0.057 0.000 1.133 322 Y CA -0.816 57.308 58.100 0.039 0.000 1.093 322 Y CB 1.320 39.796 38.460 0.026 0.000 1.203 322 Y HN 0.162 nan 8.280 nan 0.000 0.427 323 S N 3.931 119.505 115.700 -0.210 0.000 2.599 323 S HA 0.930 5.404 4.470 0.007 0.000 0.287 323 S C -1.766 172.707 174.600 -0.212 0.000 1.105 323 S CA -0.824 57.323 58.200 -0.087 0.000 0.899 323 S CB 2.168 65.351 63.200 -0.028 0.000 1.100 323 S HN 0.432 nan 8.310 nan 0.000 0.482 324 V N 2.482 122.379 119.914 -0.029 0.000 2.638 324 V HA 0.518 4.642 4.120 0.007 0.000 0.306 324 V C -0.692 175.431 176.094 0.048 0.000 1.052 324 V CA -0.614 61.678 62.300 -0.014 0.000 0.885 324 V CB 1.904 33.749 31.823 0.037 0.000 0.999 324 V HN 1.023 nan 8.190 nan 0.000 0.424 325 M N 3.830 123.430 119.600 0.000 0.000 2.149 325 M HA 0.486 4.970 4.480 0.007 0.000 0.342 325 M C -1.116 175.193 176.300 0.015 0.000 1.068 325 M CA -0.452 54.825 55.300 -0.038 0.000 0.991 325 M CB 0.997 33.502 32.600 -0.157 0.000 1.596 325 M HN 0.588 nan 8.290 nan 0.000 0.439 326 D N 4.849 125.255 120.400 0.010 0.000 2.255 326 D HA 0.394 5.039 4.640 0.007 0.000 0.249 326 D C -0.884 175.385 176.300 -0.050 0.000 1.078 326 D CA 0.069 54.069 54.000 0.001 0.000 0.896 326 D CB 1.389 42.202 40.800 0.022 0.000 1.194 326 D HN 0.506 nan 8.370 nan 0.000 0.429 327 I N 2.444 123.015 120.570 0.002 0.000 2.355 327 I HA 0.185 4.360 4.170 0.007 0.000 0.288 327 I C -0.473 175.649 176.117 0.008 0.000 0.999 327 I CA -0.257 61.040 61.300 -0.004 0.000 1.163 327 I CB 1.006 39.056 38.000 0.084 0.000 1.316 327 I HN 0.237 nan 8.210 nan 0.000 0.454 328 c N 4.252 122.844 118.600 -0.013 0.000 2.351 328 c HA 0.557 5.131 4.570 0.007 0.000 0.326 328 c C -0.321 173.919 174.090 0.250 0.000 1.272 328 c CA -0.731 55.657 56.329 0.098 0.000 1.650 328 c CB 0.757 43.303 42.510 0.060 0.000 2.257 328 c HN 0.577 nan 8.230 nan 0.000 0.505 329 D N 0.700 121.236 120.400 0.226 0.000 2.256 329 D HA 0.282 4.927 4.640 0.007 0.000 0.246 329 D C -0.605 175.651 176.300 -0.074 0.000 1.042 329 D CA -0.209 53.873 54.000 0.137 0.000 0.841 329 D CB 1.006 41.835 40.800 0.048 0.000 1.223 329 D HN 0.563 nan 8.370 nan 0.000 0.470 330 Y N 1.835 121.771 120.300 -0.607 0.000 2.442 330 Y HA 0.173 4.727 4.550 0.007 0.000 0.330 330 Y C -0.029 175.571 175.900 -0.500 0.000 1.129 330 Y CA 0.173 57.582 58.100 -1.152 0.000 1.365 330 Y CB 0.598 38.293 38.460 -1.275 0.000 1.233 330 Y HN 0.167 nan 8.280 nan 0.000 0.529 331 D N 5.325 125.064 120.400 -1.102 0.000 2.256 331 D HA 0.129 4.774 4.640 0.007 0.000 0.240 331 D C 0.430 176.189 176.300 -0.902 0.000 1.062 331 D CA -0.179 53.393 54.000 -0.714 0.000 0.832 331 D CB 1.274 41.820 40.800 -0.423 0.000 1.135 331 D HN 0.725 nan 8.370 nan 0.000 0.484 332 E N 1.370 121.295 120.200 -0.458 0.000 2.008 332 E HA -0.094 4.261 4.350 0.007 0.000 0.191 332 E C 0.980 177.487 176.600 -0.156 0.000 0.986 332 E CA 0.786 57.046 56.400 -0.233 0.000 0.807 332 E CB -0.180 29.494 29.700 -0.043 0.000 0.766 332 E HN 0.519 nan 8.360 nan 0.000 0.450 333 S N 0.286 115.915 115.700 -0.117 0.000 2.967 333 S HA 0.088 4.562 4.470 0.007 0.000 0.254 333 S C 0.961 175.510 174.600 -0.084 0.000 1.089 333 S CA 0.546 58.703 58.200 -0.072 0.000 1.183 333 S CB -0.284 62.886 63.200 -0.049 0.000 0.848 333 S HN 0.190 nan 8.310 nan 0.000 0.477 334 S N -1.347 114.280 115.700 -0.122 0.000 2.067 334 S HA 0.361 4.835 4.470 0.007 0.000 0.249 334 S C 1.296 175.831 174.600 -0.108 0.000 0.916 334 S CA 0.462 58.600 58.200 -0.103 0.000 1.458 334 S CB -0.843 62.288 63.200 -0.116 0.000 1.037 334 S HN 1.704 nan 8.310 nan 0.000 0.483 335 G N 2.189 110.856 108.800 -0.222 0.000 2.160 335 G HA2 -0.265 3.699 3.960 0.007 0.000 0.251 335 G HA3 -0.265 3.699 3.960 0.007 0.000 0.251 335 G C -0.006 174.834 174.900 -0.100 0.000 1.008 335 G CA 0.574 45.584 45.100 -0.151 0.000 0.724 335 G HN 0.801 nan 8.290 nan 0.000 0.514 336 R N -2.033 118.320 120.500 -0.246 0.000 2.893 336 R HA 0.751 5.096 4.340 0.007 0.000 0.245 336 R C -0.775 175.381 176.300 -0.241 0.000 1.192 336 R CA -0.911 55.149 56.100 -0.067 0.000 1.077 336 R CB 0.855 31.148 30.300 -0.012 0.000 1.253 336 R HN 0.168 nan 8.270 nan 0.000 0.505 337 W N 0.131 121.421 121.300 -0.017 0.000 2.587 337 W HA 0.430 5.095 4.660 0.008 0.000 0.324 337 W C -0.660 175.836 176.519 -0.040 0.000 1.040 337 W CA -0.357 56.978 57.345 -0.016 0.000 1.222 337 W CB 1.318 30.780 29.460 0.004 0.000 1.381 337 W HN 0.412 nan 8.180 nan 0.000 0.483 338 N N 1.930 120.713 118.700 0.140 0.000 2.342 338 N HA 0.602 5.347 4.740 0.007 0.000 0.293 338 N C -1.596 173.955 175.510 0.069 0.000 1.026 338 N CA -0.672 52.417 53.050 0.065 0.000 0.857 338 N CB 1.334 39.821 38.487 -0.000 0.000 1.256 338 N HN 0.207 nan 8.380 nan 0.000 0.484 339 c N 2.899 121.521 118.600 0.037 0.000 2.437 339 c HA 0.412 4.986 4.570 0.007 0.000 0.307 339 c C -0.116 173.973 174.090 -0.002 0.000 1.093 339 c CA -1.150 55.191 56.329 0.020 0.000 1.463 339 c CB -1.390 41.121 42.510 0.001 0.000 1.926 339 c HN 0.599 nan 8.230 nan 0.000 0.420 340 L N 2.155 123.380 121.223 0.004 0.000 2.453 340 L HA 0.110 4.454 4.340 0.007 0.000 0.272 340 L C 1.560 178.418 176.870 -0.021 0.000 1.182 340 L CA 0.417 55.252 54.840 -0.009 0.000 0.858 340 L CB 0.334 42.392 42.059 -0.002 0.000 1.120 340 L HN 0.535 nan 8.230 nan 0.000 0.474 341 V N 2.441 122.335 119.914 -0.033 0.000 2.720 341 V HA -0.272 3.852 4.120 0.007 0.000 0.256 341 V C 2.072 178.135 176.094 -0.052 0.000 1.082 341 V CA 1.955 64.229 62.300 -0.044 0.000 1.101 341 V CB -0.827 30.970 31.823 -0.044 0.000 0.693 341 V HN 1.011 nan 8.190 nan 0.000 0.479 342 A N -0.534 122.260 122.820 -0.044 0.000 2.169 342 A HA 0.006 4.330 4.320 0.007 0.000 0.212 342 A C 2.210 179.749 177.584 -0.075 0.000 1.153 342 A CA 0.527 52.531 52.037 -0.056 0.000 0.756 342 A CB -0.242 18.738 19.000 -0.034 0.000 0.813 342 A HN 0.485 nan 8.150 nan 0.000 0.471 343 R N -0.261 120.213 120.500 -0.044 0.000 2.334 343 R HA 0.136 4.481 4.340 0.007 0.000 0.216 343 R C -0.101 176.179 176.300 -0.034 0.000 0.905 343 R CA -0.095 56.002 56.100 -0.004 0.000 1.064 343 R CB 0.204 30.551 30.300 0.078 0.000 1.046 343 R HN 0.599 nan 8.270 nan 0.000 0.508 344 Q N 0.270 120.005 119.800 -0.108 0.000 2.327 344 Q HA 0.102 4.446 4.340 0.007 0.000 0.254 344 Q C -0.877 174.965 176.000 -0.264 0.000 0.952 344 Q CA 0.406 56.161 55.803 -0.081 0.000 0.884 344 Q CB 0.976 29.676 28.738 -0.062 0.000 1.224 344 Q HN 0.186 nan 8.270 nan 0.000 0.422 345 H N 0.791 119.840 119.070 -0.034 0.000 2.529 345 H HA 0.460 5.021 4.556 0.007 0.000 0.348 345 H C -0.866 174.408 175.328 -0.089 0.000 1.079 345 H CA -0.478 55.548 56.048 -0.037 0.000 1.198 345 H CB 1.160 30.885 29.762 -0.061 0.000 1.521 345 H HN 0.425 nan 8.280 nan 0.000 0.514 346 I N 2.155 122.723 120.570 -0.002 0.000 2.362 346 I HA 0.210 4.384 4.170 0.007 0.000 0.289 346 I C -0.174 175.879 176.117 -0.107 0.000 0.994 346 I CA -0.354 60.858 61.300 -0.147 0.000 1.158 346 I CB 1.434 39.317 38.000 -0.194 0.000 1.315 346 I HN 0.539 nan 8.210 nan 0.000 0.451 347 E N 8.617 128.723 120.200 -0.157 0.000 2.145 347 E HA 0.615 4.970 4.350 0.007 0.000 0.270 347 E C -0.954 175.557 176.600 -0.148 0.000 0.906 347 E CA -0.650 55.696 56.400 -0.090 0.000 0.761 347 E CB 1.280 30.947 29.700 -0.055 0.000 1.116 347 E HN 0.629 nan 8.360 nan 0.000 0.408 348 M N 1.273 120.823 119.600 -0.084 0.000 2.716 348 M HA 0.643 5.128 4.480 0.007 0.000 0.278 348 M C -1.217 175.078 176.300 -0.008 0.000 1.281 348 M CA -0.937 54.334 55.300 -0.049 0.000 0.814 348 M CB 2.291 34.881 32.600 -0.017 0.000 1.719 348 M HN 0.275 nan 8.290 nan 0.000 0.457 349 S N -0.593 115.109 115.700 0.004 0.000 2.546 349 S HA 0.544 5.018 4.470 0.007 0.000 0.272 349 S C 0.079 174.667 174.600 -0.020 0.000 1.140 349 S CA 0.074 58.261 58.200 -0.022 0.000 0.920 349 S CB 1.848 65.002 63.200 -0.077 0.000 1.083 349 S HN 0.930 nan 8.310 nan 0.000 0.476 350 T N -0.242 114.300 114.554 -0.020 0.000 3.037 350 T HA 0.060 4.415 4.350 0.007 0.000 0.252 350 T C 1.569 176.244 174.700 -0.041 0.000 1.073 350 T CA 0.998 63.089 62.100 -0.015 0.000 1.091 350 T CB -0.403 68.465 68.868 -0.001 0.000 0.935 350 T HN 0.699 nan 8.240 nan 0.000 0.488 351 T N -1.726 112.792 114.554 -0.061 0.000 3.060 351 T HA 0.604 4.958 4.350 0.007 0.000 0.249 351 T C 1.042 175.566 174.700 -0.293 0.000 1.079 351 T CA 0.366 62.423 62.100 -0.071 0.000 1.013 351 T CB 0.275 69.166 68.868 0.038 0.000 0.975 351 T HN 0.638 nan 8.240 nan 0.000 0.518 352 G N 0.407 108.897 108.800 -0.516 0.000 2.562 352 G HA2 0.461 4.425 3.960 0.007 0.000 0.190 352 G HA3 0.461 4.425 3.960 0.007 0.000 0.190 352 G C -1.680 172.982 174.900 -0.397 0.000 1.196 352 G CA -0.590 44.019 45.100 -0.818 0.000 0.986 352 G HN 0.507 nan 8.290 nan 0.000 0.512 353 W N -0.157 120.883 121.300 -0.434 0.000 2.367 353 W HA 0.767 5.432 4.660 0.008 0.000 0.369 353 W C -0.073 176.394 176.519 -0.087 0.000 1.276 353 W CA -1.224 55.998 57.345 -0.204 0.000 1.415 353 W CB 1.050 30.370 29.460 -0.233 0.000 1.306 353 W HN 0.539 nan 8.180 nan 0.000 0.669 354 V N 3.036 123.016 119.914 0.109 0.000 2.427 354 V HA 0.834 4.958 4.120 0.007 0.000 0.286 354 V C 0.305 176.457 176.094 0.098 0.000 1.034 354 V CA 0.367 62.684 62.300 0.029 0.000 0.893 354 V CB 0.315 32.150 31.823 0.020 0.000 0.982 354 V HN 1.798 nan 8.190 nan 0.000 0.452 355 G N 5.895 114.711 108.800 0.028 0.000 2.746 355 G HA2 -0.175 3.790 3.960 0.007 0.000 0.685 355 G HA3 -0.175 3.790 3.960 0.007 0.000 0.685 355 G C 0.161 175.121 174.900 0.101 0.000 1.350 355 G CA 0.163 45.305 45.100 0.070 0.000 0.837 355 G HN 0.940 nan 8.290 nan 0.000 0.564 356 R N -0.491 120.063 120.500 0.089 0.000 2.070 356 R HA 0.062 4.406 4.340 0.007 0.000 0.232 356 R C 2.067 178.325 176.300 -0.070 0.000 1.138 356 R CA 2.348 58.452 56.100 0.006 0.000 0.936 356 R CB -0.153 30.174 30.300 0.045 0.000 0.839 356 R HN 0.500 nan 8.270 nan 0.000 0.429 357 F N -0.946 119.129 119.950 0.208 0.000 2.711 357 F HA 0.234 4.765 4.527 0.007 0.000 0.296 357 F C 0.470 176.287 175.800 0.029 0.000 1.096 357 F CA -0.455 57.617 58.000 0.122 0.000 1.280 357 F CB 0.644 39.708 39.000 0.106 0.000 1.060 357 F HN -0.090 nan 8.300 nan 0.000 0.608 358 R N -0.586 120.040 120.500 0.210 0.000 2.710 358 R HA 0.515 4.859 4.340 0.007 0.000 0.270 358 R C -3.287 173.053 176.300 0.067 0.000 1.021 358 R CA -2.089 54.053 56.100 0.069 0.000 0.889 358 R CB 0.476 30.755 30.300 -0.035 0.000 1.243 358 R HN -0.340 nan 8.270 nan 0.000 0.464 359 P HA -0.056 nan 4.420 nan 0.000 0.265 359 P C -0.288 177.016 177.300 0.005 0.000 1.187 359 P CA 0.161 63.265 63.100 0.007 0.000 0.766 359 P CB 0.775 32.455 31.700 -0.033 0.000 0.820 360 S N 1.811 117.528 115.700 0.029 0.000 2.573 360 S HA 0.058 4.532 4.470 0.007 0.000 0.277 360 S C 0.206 174.811 174.600 0.008 0.000 1.346 360 S CA -0.573 57.660 58.200 0.057 0.000 1.034 360 S CB 0.007 63.265 63.200 0.096 0.000 0.879 360 S HN 0.459 nan 8.310 nan 0.000 0.528 361 E N 4.186 124.407 120.200 0.035 0.000 2.283 361 E HA 0.367 4.721 4.350 0.007 0.000 0.278 361 E C -2.806 173.746 176.600 -0.081 0.000 1.027 361 E CA -2.230 54.138 56.400 -0.053 0.000 0.843 361 E CB 0.671 30.341 29.700 -0.049 0.000 1.062 361 E HN 0.283 nan 8.360 nan 0.000 0.401 362 P HA 0.239 nan 4.420 nan 0.000 0.284 362 P C -0.778 176.374 177.300 -0.247 0.000 1.253 362 P CA -0.291 62.662 63.100 -0.246 0.000 0.800 362 P CB 0.663 31.908 31.700 -0.759 0.000 0.961 363 H N 2.596 121.704 119.070 0.065 0.000 2.685 363 H HA 0.289 4.849 4.556 0.007 0.000 0.307 363 H C -0.206 175.276 175.328 0.257 0.000 1.017 363 H CA -0.348 55.827 56.048 0.213 0.000 1.237 363 H CB 0.293 30.196 29.762 0.235 0.000 1.409 363 H HN 0.313 nan 8.280 nan 0.000 0.488 364 F N 1.831 121.967 119.950 0.309 0.000 2.382 364 F HA 0.048 4.580 4.527 0.007 0.000 0.331 364 F C 1.637 177.625 175.800 0.312 0.000 1.121 364 F CA -0.404 57.776 58.000 0.301 0.000 1.183 364 F CB 0.931 40.043 39.000 0.186 0.000 1.207 364 F HN 0.386 nan 8.300 nan 0.000 0.555 365 T N 0.330 115.173 114.554 0.481 0.000 2.748 365 T HA 0.065 4.420 4.350 0.007 0.000 0.304 365 T C 1.067 175.959 174.700 0.321 0.000 1.041 365 T CA -0.733 61.592 62.100 0.375 0.000 1.033 365 T CB 0.615 69.674 68.868 0.317 0.000 0.995 365 T HN 0.548 nan 8.240 nan 0.000 0.536 366 L N 1.248 122.615 121.223 0.240 0.000 2.046 366 L HA -0.043 4.302 4.340 0.007 0.000 0.208 366 L C 2.272 179.247 176.870 0.174 0.000 1.077 366 L CA 2.233 57.187 54.840 0.191 0.000 0.747 366 L CB -0.976 41.172 42.059 0.149 0.000 0.896 366 L HN 0.941 nan 8.230 nan 0.000 0.432 367 D N -1.179 119.324 120.400 0.171 0.000 2.348 367 D HA -0.005 4.640 4.640 0.007 0.000 0.216 367 D C 1.615 178.017 176.300 0.170 0.000 0.970 367 D CA 0.845 54.935 54.000 0.150 0.000 0.889 367 D CB -0.599 40.279 40.800 0.131 0.000 0.912 367 D HN 0.385 nan 8.370 nan 0.000 0.524 368 G N 0.616 109.560 108.800 0.239 0.000 2.179 368 G HA2 -0.330 3.634 3.960 0.007 0.000 0.257 368 G HA3 -0.330 3.634 3.960 0.007 0.000 0.257 368 G C 0.751 175.861 174.900 0.349 0.000 1.010 368 G CA 0.402 45.685 45.100 0.305 0.000 0.736 368 G HN 0.392 nan 8.290 nan 0.000 0.513 369 N N -0.152 118.711 118.700 0.272 0.000 2.280 369 N HA 0.200 4.945 4.740 0.007 0.000 0.192 369 N C 0.372 175.978 175.510 0.160 0.000 1.109 369 N CA 0.838 54.012 53.050 0.207 0.000 0.855 369 N CB 0.610 39.177 38.487 0.134 0.000 0.974 369 N HN 0.379 nan 8.380 nan 0.000 0.482 370 S N -0.100 115.710 115.700 0.183 0.000 2.556 370 S HA 0.675 5.149 4.470 0.007 0.000 0.271 370 S C -1.170 173.413 174.600 -0.028 0.000 1.135 370 S CA -0.794 57.349 58.200 -0.094 0.000 0.858 370 S CB 1.600 64.702 63.200 -0.163 0.000 1.114 370 S HN 0.223 nan 8.310 nan 0.000 0.468 371 F N -0.464 119.199 119.950 -0.478 0.000 2.685 371 F HA 0.832 5.364 4.527 0.007 0.000 0.315 371 F C -2.033 173.509 175.800 -0.430 0.000 1.126 371 F CA -1.334 56.356 58.000 -0.518 0.000 0.950 371 F CB 0.808 39.123 39.000 -1.142 0.000 1.360 371 F HN 0.485 nan 8.300 nan 0.000 0.469 372 Y N 0.775 121.187 120.300 0.187 0.000 2.409 372 Y HA 0.660 5.214 4.550 0.007 0.000 0.343 372 Y C -0.694 175.369 175.900 0.271 0.000 0.973 372 Y CA -0.970 57.250 58.100 0.200 0.000 1.064 372 Y CB 2.328 40.890 38.460 0.170 0.000 1.207 372 Y HN 0.703 nan 8.280 nan 0.000 0.452 373 K N 1.237 121.871 120.400 0.391 0.000 2.527 373 K HA 0.643 4.968 4.320 0.007 0.000 0.260 373 K C -1.712 175.030 176.600 0.237 0.000 0.937 373 K CA -0.759 55.703 56.287 0.292 0.000 0.826 373 K CB 1.787 34.389 32.500 0.169 0.000 1.359 373 K HN 0.582 nan 8.250 nan 0.000 0.434 374 I N 3.829 124.514 120.570 0.192 0.000 2.533 374 I HA 0.191 4.366 4.170 0.007 0.000 0.284 374 I C 0.136 176.345 176.117 0.153 0.000 1.109 374 I CA -0.127 61.267 61.300 0.157 0.000 1.412 374 I CB -0.003 38.073 38.000 0.127 0.000 1.396 374 I HN 0.608 nan 8.210 nan 0.000 0.543 375 I N 2.431 123.119 120.570 0.198 0.000 2.969 375 I HA 0.545 4.720 4.170 0.007 0.000 0.307 375 I C -0.032 176.200 176.117 0.193 0.000 1.149 375 I CA -0.874 60.535 61.300 0.183 0.000 1.008 375 I CB 2.181 40.305 38.000 0.207 0.000 1.232 375 I HN 0.493 nan 8.210 nan 0.000 0.435 376 S N 2.224 117.974 115.700 0.083 0.000 2.548 376 S HA 0.309 4.784 4.470 0.007 0.000 0.277 376 S C -0.048 174.587 174.600 0.059 0.000 1.315 376 S CA -0.632 57.562 58.200 -0.010 0.000 1.050 376 S CB 0.467 63.592 63.200 -0.125 0.000 0.918 376 S HN 0.828 nan 8.310 nan 0.000 0.497 377 N N 1.628 120.253 118.700 -0.126 0.000 2.443 377 N HA 0.105 4.850 4.740 0.007 0.000 0.294 377 N C 1.203 176.625 175.510 -0.146 0.000 1.289 377 N CA -0.266 52.583 53.050 -0.336 0.000 0.966 377 N CB -0.095 37.864 38.487 -0.879 0.000 1.122 377 N HN 0.738 nan 8.380 nan 0.000 0.569 378 E N -0.096 120.009 120.200 -0.158 0.000 2.110 378 E HA -0.263 4.091 4.350 0.007 0.000 0.193 378 E C 0.754 177.307 176.600 -0.079 0.000 0.988 378 E CA 1.626 57.980 56.400 -0.076 0.000 0.804 378 E CB -0.711 28.954 29.700 -0.059 0.000 0.745 378 E HN 0.909 nan 8.360 nan 0.000 0.458 379 E N -0.060 120.089 120.200 -0.086 0.000 2.489 379 E HA 0.226 4.580 4.350 0.007 0.000 0.193 379 E C 0.960 177.528 176.600 -0.055 0.000 1.057 379 E CA 0.406 56.790 56.400 -0.026 0.000 0.866 379 E CB 0.060 29.776 29.700 0.026 0.000 0.916 379 E HN 0.348 nan 8.360 nan 0.000 0.500 380 G N 0.372 109.091 108.800 -0.135 0.000 2.176 380 G HA2 -0.268 3.697 3.960 0.007 0.000 0.232 380 G HA3 -0.268 3.697 3.960 0.007 0.000 0.232 380 G C -0.359 174.276 174.900 -0.442 0.000 0.986 380 G CA -0.035 44.885 45.100 -0.301 0.000 0.643 380 G HN 0.267 nan 8.290 nan 0.000 0.522 381 Y N 0.695 120.848 120.300 -0.245 0.000 2.352 381 Y HA 0.658 5.213 4.550 0.008 0.000 0.326 381 Y C 1.265 176.951 175.900 -0.357 0.000 1.166 381 Y CA -0.787 57.129 58.100 -0.306 0.000 1.182 381 Y CB 0.856 39.129 38.460 -0.311 0.000 1.216 381 Y HN 0.049 nan 8.280 nan 0.000 0.474 382 R N 3.413 123.740 120.500 -0.289 0.000 2.216 382 R HA 0.313 4.658 4.340 0.007 0.000 0.332 382 R C -0.811 175.178 176.300 -0.517 0.000 1.056 382 R CA -0.265 55.681 56.100 -0.256 0.000 0.901 382 R CB 0.233 30.448 30.300 -0.142 0.000 1.039 382 R HN 0.677 nan 8.270 nan 0.000 0.456 383 H N 1.566 120.607 119.070 -0.048 0.000 2.941 383 H HA 0.380 4.941 4.556 0.008 0.000 0.344 383 H C -0.191 175.226 175.328 0.148 0.000 1.235 383 H CA -0.949 55.056 56.048 -0.072 0.000 1.149 383 H CB 1.620 31.219 29.762 -0.272 0.000 1.885 383 H HN 0.310 nan 8.280 nan 0.000 0.558 384 I N 1.210 121.909 120.570 0.216 0.000 2.342 384 I HA 0.097 4.271 4.170 0.007 0.000 0.291 384 I C 0.256 176.436 176.117 0.104 0.000 1.010 384 I CA -0.095 61.285 61.300 0.133 0.000 1.308 384 I CB 0.583 38.579 38.000 -0.007 0.000 1.400 384 I HN 0.137 nan 8.210 nan 0.000 0.488 385 c N 6.746 125.324 118.600 -0.036 0.000 2.355 385 c HA 0.374 4.949 4.570 0.007 0.000 0.332 385 c C -0.238 173.717 174.090 -0.225 0.000 1.255 385 c CA -0.552 55.511 56.329 -0.444 0.000 1.792 385 c CB 0.685 42.693 42.510 -0.837 0.000 2.300 385 c HN 0.692 nan 8.230 nan 0.000 0.515 386 Y N 3.919 123.897 120.300 -0.537 0.000 2.320 386 Y HA 0.620 5.174 4.550 0.007 0.000 0.334 386 Y C -0.857 174.558 175.900 -0.808 0.000 1.055 386 Y CA -0.341 57.401 58.100 -0.597 0.000 1.143 386 Y CB 0.475 38.666 38.460 -0.447 0.000 1.193 386 Y HN 0.660 nan 8.280 nan 0.000 0.477 387 F N 3.827 122.933 119.950 -1.406 0.000 2.546 387 F HA 0.411 4.942 4.527 0.007 0.000 0.320 387 F C -0.613 174.415 175.800 -1.288 0.000 1.076 387 F CA -0.918 56.269 58.000 -1.356 0.000 0.928 387 F CB 1.835 39.606 39.000 -2.048 0.000 1.189 387 F HN 0.356 nan 8.300 nan 0.000 0.465 388 Q N 3.362 122.836 119.800 -0.544 0.000 2.307 388 Q HA 0.301 4.645 4.340 0.007 0.000 0.262 388 Q C 0.960 176.952 176.000 -0.013 0.000 0.961 388 Q CA -0.562 55.063 55.803 -0.296 0.000 0.882 388 Q CB 2.031 30.660 28.738 -0.181 0.000 1.264 388 Q HN 0.612 nan 8.270 nan 0.000 0.446 389 I N 1.512 122.133 120.570 0.085 0.000 2.181 389 I HA -0.320 3.854 4.170 0.007 0.000 0.247 389 I C 1.154 177.434 176.117 0.272 0.000 1.081 389 I CA 1.730 63.202 61.300 0.286 0.000 1.340 389 I CB -0.379 37.773 38.000 0.254 0.000 1.036 389 I HN 0.583 nan 8.210 nan 0.000 0.417 390 D N 0.083 120.564 120.400 0.135 0.000 2.301 390 D HA 0.010 4.655 4.640 0.007 0.000 0.206 390 D C 0.883 177.204 176.300 0.036 0.000 0.979 390 D CA 0.485 54.528 54.000 0.072 0.000 0.874 390 D CB 0.392 41.217 40.800 0.041 0.000 0.968 390 D HN 0.323 nan 8.370 nan 0.000 0.510 391 K N 1.095 121.522 120.400 0.044 0.000 2.172 391 K HA 0.148 4.472 4.320 0.007 0.000 0.276 391 K C 0.897 177.513 176.600 0.026 0.000 1.013 391 K CA -0.362 55.926 56.287 0.002 0.000 0.913 391 K CB 2.257 34.732 32.500 -0.042 0.000 1.055 391 K HN -0.275 nan 8.250 nan 0.000 0.461 392 K N 1.478 121.862 120.400 -0.028 0.000 2.097 392 K HA -0.090 4.234 4.320 0.007 0.000 0.206 392 K C 0.087 176.685 176.600 -0.004 0.000 1.049 392 K CA 1.503 57.773 56.287 -0.029 0.000 0.933 392 K CB 0.150 32.622 32.500 -0.047 0.000 0.717 392 K HN 0.518 nan 8.250 nan 0.000 0.442 393 D N -0.255 120.103 120.400 -0.070 0.000 2.313 393 D HA 0.122 4.767 4.640 0.007 0.000 0.247 393 D C -0.519 175.581 176.300 -0.334 0.000 1.094 393 D CA -0.079 53.828 54.000 -0.156 0.000 0.925 393 D CB 1.231 41.952 40.800 -0.131 0.000 1.188 393 D HN 0.394 nan 8.370 nan 0.000 0.430 394 c N -0.224 118.056 118.600 -0.533 0.000 2.712 394 c HA 0.808 5.382 4.570 0.007 0.000 0.308 394 c C 0.116 173.841 174.090 -0.610 0.000 1.201 394 c CA -0.886 54.922 56.329 -0.869 0.000 1.554 394 c CB 0.872 42.261 42.510 -1.869 0.000 2.117 394 c HN 0.614 nan 8.230 nan 0.000 0.480 395 T N -0.085 114.187 114.554 -0.471 0.000 2.795 395 T HA 0.622 4.976 4.350 0.007 0.000 0.282 395 T C -0.703 173.790 174.700 -0.346 0.000 0.980 395 T CA -0.216 61.716 62.100 -0.280 0.000 1.012 395 T CB 0.490 69.309 68.868 -0.083 0.000 0.936 395 T HN 0.536 nan 8.240 nan 0.000 0.457 396 F N 2.898 122.729 119.950 -0.197 0.000 2.443 396 F HA 0.343 4.874 4.527 0.007 0.000 0.353 396 F C 1.528 177.163 175.800 -0.275 0.000 1.101 396 F CA -1.071 56.801 58.000 -0.214 0.000 1.226 396 F CB 0.807 39.688 39.000 -0.198 0.000 1.140 396 F HN 0.688 nan 8.300 nan 0.000 0.557 397 I N -0.904 119.574 120.570 -0.152 0.000 4.070 397 I HA 0.228 4.402 4.170 0.007 0.000 0.328 397 I C 0.306 176.270 176.117 -0.254 0.000 1.298 397 I CA 0.088 61.123 61.300 -0.442 0.000 1.173 397 I CB 0.259 37.731 38.000 -0.880 0.000 1.051 397 I HN 0.481 nan 8.210 nan 0.000 0.409 398 T N -0.684 113.755 114.554 -0.192 0.000 2.908 398 T HA 0.607 4.962 4.350 0.007 0.000 0.290 398 T C -0.533 173.755 174.700 -0.686 0.000 1.034 398 T CA -0.681 61.255 62.100 -0.272 0.000 1.010 398 T CB 2.826 71.600 68.868 -0.158 0.000 1.068 398 T HN 0.045 nan 8.240 nan 0.000 0.481 399 K N 0.134 120.030 120.400 -0.841 0.000 2.509 399 K HA 0.797 5.121 4.320 0.007 0.000 0.266 399 K C -0.158 175.821 176.600 -1.035 0.000 0.987 399 K CA -0.203 55.432 56.287 -1.086 0.000 0.868 399 K CB 1.983 34.176 32.500 -0.511 0.000 1.421 399 K HN 1.399 nan 8.250 nan 0.000 0.444 400 G N -0.298 107.956 108.800 -0.909 0.000 2.355 400 G HA2 -0.114 3.851 3.960 0.007 0.000 0.619 400 G HA3 -0.114 3.851 3.960 0.007 0.000 0.619 400 G C -0.702 173.679 174.900 -0.866 0.000 1.337 400 G CA -0.288 44.410 45.100 -0.671 0.000 0.993 400 G HN 0.487 nan 8.290 nan 0.000 0.599 401 T N -0.485 113.673 114.554 -0.661 0.000 3.855 401 T HA 0.583 4.937 4.350 0.007 0.000 0.306 401 T C 0.263 174.712 174.700 -0.418 0.000 1.575 401 T CA 0.617 62.115 62.100 -1.003 0.000 1.214 401 T CB -0.909 67.628 68.868 -0.552 0.000 1.262 401 T HN 1.581 nan 8.240 nan 0.000 0.883 402 W N -0.377 120.704 121.300 -0.364 0.000 2.826 402 W HA 0.665 5.329 4.660 0.007 0.000 0.410 402 W C -1.596 174.886 176.519 -0.062 0.000 1.128 402 W CA -0.996 56.300 57.345 -0.082 0.000 1.176 402 W CB 0.660 30.080 29.460 -0.067 0.000 1.475 402 W HN 0.197 nan 8.180 nan 0.000 0.588 403 E N 0.715 121.127 120.200 0.354 0.000 2.340 403 E HA 0.421 4.775 4.350 0.007 0.000 0.273 403 E C -1.262 175.485 176.600 0.244 0.000 0.891 403 E CA -1.057 55.357 56.400 0.023 0.000 0.757 403 E CB 3.473 33.213 29.700 0.067 0.000 1.231 403 E HN 0.179 nan 8.360 nan 0.000 0.439 404 V N 4.377 124.310 119.914 0.031 0.000 2.488 404 V HA 0.024 4.148 4.120 0.007 0.000 0.277 404 V C 1.230 177.428 176.094 0.174 0.000 1.046 404 V CA 0.003 62.415 62.300 0.187 0.000 0.986 404 V CB 0.617 32.468 31.823 0.046 0.000 0.989 404 V HN 0.713 nan 8.190 nan 0.000 0.475 405 I N 3.115 123.812 120.570 0.212 0.000 2.584 405 I HA 0.247 4.421 4.170 0.007 0.000 0.255 405 I C 1.092 177.322 176.117 0.190 0.000 1.145 405 I CA 1.126 62.530 61.300 0.175 0.000 1.462 405 I CB -0.636 37.404 38.000 0.068 0.000 1.102 405 I HN 0.784 nan 8.210 nan 0.000 0.433 406 G N 1.043 109.963 108.800 0.200 0.000 2.473 406 G HA2 0.408 4.372 3.960 0.007 0.000 0.298 406 G HA3 0.408 4.372 3.960 0.007 0.000 0.298 406 G C -1.082 173.922 174.900 0.174 0.000 1.575 406 G CA -0.694 44.521 45.100 0.191 0.000 0.846 406 G HN -0.031 nan 8.290 nan 0.000 0.585 407 I N 1.853 122.468 120.570 0.075 0.000 2.416 407 I HA 0.228 4.403 4.170 0.007 0.000 0.288 407 I C 0.817 176.870 176.117 -0.106 0.000 1.051 407 I CA -0.468 60.771 61.300 -0.101 0.000 1.375 407 I CB 1.500 39.219 38.000 -0.468 0.000 1.407 407 I HN 0.504 nan 8.210 nan 0.000 0.516 408 E N 4.794 125.005 120.200 0.019 0.000 2.244 408 E HA 0.302 4.656 4.350 0.007 0.000 0.196 408 E C 0.171 176.756 176.600 -0.026 0.000 0.939 408 E CA 0.322 56.792 56.400 0.117 0.000 0.884 408 E CB 0.715 30.599 29.700 0.307 0.000 0.850 408 E HN 0.694 nan 8.360 nan 0.000 0.481 409 A N 0.847 123.533 122.820 -0.223 0.000 2.547 409 A HA 0.564 4.889 4.320 0.007 0.000 0.297 409 A C -1.811 175.700 177.584 -0.121 0.000 1.056 409 A CA -0.634 51.187 52.037 -0.361 0.000 0.688 409 A CB 1.271 19.534 19.000 -1.229 0.000 1.282 409 A HN 0.059 nan 8.150 nan 0.000 0.400 410 L N 2.415 123.621 121.223 -0.028 0.000 2.349 410 L HA 0.800 5.144 4.340 0.007 0.000 0.278 410 L C 0.389 177.307 176.870 0.080 0.000 0.996 410 L CA 0.445 55.309 54.840 0.039 0.000 0.825 410 L CB 1.669 43.799 42.059 0.118 0.000 1.243 410 L HN 1.061 nan 8.230 nan 0.000 0.412 411 T N -0.069 114.544 114.554 0.099 0.000 2.804 411 T HA 0.318 4.673 4.350 0.007 0.000 0.272 411 T C 0.944 175.694 174.700 0.084 0.000 0.986 411 T CA 0.184 62.351 62.100 0.111 0.000 0.999 411 T CB 1.156 70.124 68.868 0.167 0.000 1.307 411 T HN 0.435 nan 8.240 nan 0.000 0.586 412 S N 0.165 115.905 115.700 0.067 0.000 2.382 412 S HA -0.122 4.353 4.470 0.007 0.000 0.228 412 S C 1.099 175.670 174.600 -0.049 0.000 1.027 412 S CA 2.170 60.389 58.200 0.032 0.000 0.991 412 S CB -0.968 62.249 63.200 0.029 0.000 0.823 412 S HN 0.864 nan 8.310 nan 0.000 0.469 413 D N -1.906 118.408 120.400 -0.142 0.000 2.498 413 D HA 0.202 4.847 4.640 0.007 0.000 0.223 413 D C -0.367 175.524 176.300 -0.682 0.000 1.125 413 D CA -0.109 53.636 54.000 -0.426 0.000 0.835 413 D CB -0.035 40.416 40.800 -0.581 0.000 1.086 413 D HN 0.478 nan 8.370 nan 0.000 0.510 414 Y N -0.039 120.210 120.300 -0.084 0.000 2.524 414 Y HA 0.506 5.061 4.550 0.007 0.000 0.347 414 Y C -0.939 174.807 175.900 -0.256 0.000 1.005 414 Y CA -1.345 56.619 58.100 -0.227 0.000 1.025 414 Y CB 2.545 40.758 38.460 -0.412 0.000 1.275 414 Y HN -0.149 nan 8.280 nan 0.000 0.460 415 L N 3.082 124.211 121.223 -0.156 0.000 2.322 415 L HA 0.596 4.940 4.340 0.007 0.000 0.281 415 L C -1.718 175.032 176.870 -0.201 0.000 1.014 415 L CA -0.598 54.127 54.840 -0.192 0.000 0.815 415 L CB 0.910 42.766 42.059 -0.339 0.000 1.247 415 L HN 0.632 nan 8.230 nan 0.000 0.421 416 Y N 4.618 124.869 120.300 -0.081 0.000 2.342 416 Y HA 0.534 5.089 4.550 0.007 0.000 0.334 416 Y C -0.520 175.420 175.900 0.068 0.000 1.067 416 Y CA -0.284 57.781 58.100 -0.059 0.000 1.128 416 Y CB 1.413 39.750 38.460 -0.204 0.000 1.200 416 Y HN 0.535 nan 8.280 nan 0.000 0.464 417 Y N 0.115 120.498 120.300 0.138 0.000 2.609 417 Y HA 0.767 5.322 4.550 0.007 0.000 0.336 417 Y C -1.836 174.164 175.900 0.167 0.000 1.129 417 Y CA -1.869 56.300 58.100 0.116 0.000 1.040 417 Y CB 0.998 39.503 38.460 0.076 0.000 1.310 417 Y HN 0.453 nan 8.280 nan 0.000 0.460 418 I N 3.325 124.044 120.570 0.249 0.000 2.437 418 I HA 0.670 4.845 4.170 0.007 0.000 0.298 418 I C -0.215 176.083 176.117 0.301 0.000 0.984 418 I CA -0.367 61.030 61.300 0.162 0.000 1.214 418 I CB 1.923 39.968 38.000 0.075 0.000 1.365 418 I HN 0.885 nan 8.210 nan 0.000 0.469 419 S N 3.111 118.957 115.700 0.243 0.000 2.656 419 S HA 0.391 4.865 4.470 0.007 0.000 0.273 419 S C -0.771 173.886 174.600 0.095 0.000 1.168 419 S CA -0.918 57.418 58.200 0.226 0.000 0.817 419 S CB 1.608 64.992 63.200 0.306 0.000 1.146 419 S HN 0.637 nan 8.310 nan 0.000 0.475 420 N N -0.233 118.516 118.700 0.083 0.000 2.453 420 N HA 0.185 4.930 4.740 0.007 0.000 0.270 420 N C 0.377 175.854 175.510 -0.054 0.000 1.195 420 N CA -0.416 52.639 53.050 0.010 0.000 0.902 420 N CB 0.469 38.953 38.487 -0.006 0.000 1.186 420 N HN 0.798 nan 8.380 nan 0.000 0.510 421 E N -0.074 119.951 120.200 -0.291 0.000 2.122 421 E HA -0.124 4.231 4.350 0.007 0.000 0.190 421 E C -0.428 176.014 176.600 -0.264 0.000 0.977 421 E CA -0.113 55.890 56.400 -0.662 0.000 0.820 421 E CB -0.028 28.599 29.700 -1.787 0.000 0.770 421 E HN 0.528 nan 8.360 nan 0.000 0.462 422 Y N 2.589 122.786 120.300 -0.170 0.000 2.815 422 Y HA -0.139 4.416 4.550 0.007 0.000 0.346 422 Y C 0.080 175.935 175.900 -0.075 0.000 1.267 422 Y CA 0.245 58.297 58.100 -0.079 0.000 1.604 422 Y CB 0.176 38.617 38.460 -0.031 0.000 1.218 422 Y HN 0.017 nan 8.280 nan 0.000 0.527 423 K N 3.575 123.695 120.400 -0.467 0.000 3.391 423 K HA -0.200 4.125 4.320 0.007 0.000 0.307 423 K C 0.694 177.188 176.600 -0.176 0.000 1.304 423 K CA 0.939 56.980 56.287 -0.410 0.000 0.904 423 K CB -1.997 30.159 32.500 -0.573 0.000 1.293 423 K HN 1.333 nan 8.250 nan 0.000 0.470 424 G N 0.909 109.630 108.800 -0.131 0.000 2.249 424 G HA2 -0.333 3.632 3.960 0.007 0.000 0.273 424 G HA3 -0.333 3.632 3.960 0.007 0.000 0.273 424 G C 0.101 174.952 174.900 -0.081 0.000 1.036 424 G CA 0.897 45.965 45.100 -0.053 0.000 0.824 424 G HN 0.327 nan 8.290 nan 0.000 0.504 425 M N 0.024 119.511 119.600 -0.189 0.000 2.069 425 M HA 0.256 4.741 4.480 0.007 0.000 0.349 425 M C -1.426 174.632 176.300 -0.403 0.000 1.194 425 M CA -2.018 53.024 55.300 -0.431 0.000 1.081 425 M CB 1.753 34.161 32.600 -0.320 0.000 1.500 425 M HN -0.134 nan 8.290 nan 0.000 0.438 426 P HA -0.017 nan 4.420 nan 0.000 0.230 426 P C 1.112 178.275 177.300 -0.227 0.000 1.158 426 P CA 0.794 63.717 63.100 -0.296 0.000 0.769 426 P CB 0.224 31.745 31.700 -0.298 0.000 0.807 427 G N -0.958 107.650 108.800 -0.321 0.000 3.088 427 G HA2 0.239 4.203 3.960 0.007 0.000 0.217 427 G HA3 0.239 4.203 3.960 0.007 0.000 0.217 427 G C 0.685 175.601 174.900 0.028 0.000 1.159 427 G CA 0.032 45.074 45.100 -0.097 0.000 0.760 427 G HN 0.366 nan 8.290 nan 0.000 0.550 428 G N -0.011 108.749 108.800 -0.067 0.000 2.451 428 G HA2 0.592 4.556 3.960 0.007 0.000 0.303 428 G HA3 0.592 4.556 3.960 0.007 0.000 0.303 428 G C -0.700 174.105 174.900 -0.159 0.000 1.166 428 G CA -0.685 44.403 45.100 -0.020 0.000 0.884 428 G HN 0.076 nan 8.290 nan 0.000 0.514 429 R N 0.977 121.342 120.500 -0.225 0.000 2.510 429 R HA 0.308 4.652 4.340 0.007 0.000 0.294 429 R C -1.210 175.053 176.300 -0.063 0.000 1.056 429 R CA -0.705 55.227 56.100 -0.278 0.000 0.918 429 R CB 1.724 31.610 30.300 -0.690 0.000 1.187 429 R HN 0.677 nan 8.270 nan 0.000 0.437 430 N N 0.796 119.470 118.700 -0.043 0.000 2.312 430 N HA 0.447 5.192 4.740 0.007 0.000 0.296 430 N C -1.309 174.005 175.510 -0.326 0.000 1.193 430 N CA -0.833 52.088 53.050 -0.215 0.000 0.773 430 N CB 1.885 40.133 38.487 -0.398 0.000 1.435 430 N HN 0.207 nan 8.380 nan 0.000 0.484 431 L N 2.167 123.053 121.223 -0.563 0.000 2.292 431 L HA 0.476 4.821 4.340 0.007 0.000 0.284 431 L C -1.623 174.800 176.870 -0.745 0.000 1.065 431 L CA -0.142 54.398 54.840 -0.500 0.000 0.806 431 L CB -0.162 41.608 42.059 -0.482 0.000 1.175 431 L HN 0.501 nan 8.230 nan 0.000 0.431 432 Y N 3.942 123.889 120.300 -0.589 0.000 2.462 432 Y HA 0.489 5.043 4.550 0.007 0.000 0.346 432 Y C -0.160 175.432 175.900 -0.513 0.000 0.976 432 Y CA -0.740 56.953 58.100 -0.679 0.000 1.044 432 Y CB 1.771 39.527 38.460 -1.174 0.000 1.230 432 Y HN 0.438 nan 8.280 nan 0.000 0.455 433 K N 4.162 124.437 120.400 -0.208 0.000 2.235 433 K HA 0.548 4.872 4.320 0.007 0.000 0.266 433 K C -1.559 174.993 176.600 -0.081 0.000 0.980 433 K CA -0.614 55.474 56.287 -0.332 0.000 0.849 433 K CB 1.275 33.514 32.500 -0.435 0.000 1.098 433 K HN 0.842 nan 8.250 nan 0.000 0.445 434 I N 4.087 124.650 120.570 -0.011 0.000 2.382 434 I HA 0.143 4.317 4.170 0.007 0.000 0.286 434 I C -0.339 175.867 176.117 0.148 0.000 1.002 434 I CA -0.617 60.761 61.300 0.130 0.000 1.135 434 I CB 1.473 39.591 38.000 0.198 0.000 1.288 434 I HN 0.690 nan 8.210 nan 0.000 0.448 435 Q N 5.757 125.667 119.800 0.185 0.000 2.244 435 Q HA 0.015 4.360 4.340 0.007 0.000 0.278 435 Q C 0.143 176.140 176.000 -0.005 0.000 1.093 435 Q CA -0.259 55.596 55.803 0.086 0.000 0.916 435 Q CB 0.957 29.741 28.738 0.076 0.000 1.159 435 Q HN 0.777 nan 8.270 nan 0.000 0.384 436 L N 3.362 124.523 121.223 -0.104 0.000 2.201 436 L HA -0.155 4.190 4.340 0.007 0.000 0.212 436 L C 2.321 179.061 176.870 -0.217 0.000 1.105 436 L CA 1.880 56.688 54.840 -0.053 0.000 0.775 436 L CB -0.968 41.048 42.059 -0.071 0.000 0.913 436 L HN 0.792 nan 8.230 nan 0.000 0.440 437 S N -2.178 113.376 115.700 -0.244 0.000 2.461 437 S HA -0.035 4.440 4.470 0.007 0.000 0.228 437 S C 0.592 174.986 174.600 -0.343 0.000 1.005 437 S CA 0.408 58.448 58.200 -0.266 0.000 0.942 437 S CB -0.047 63.039 63.200 -0.190 0.000 0.776 437 S HN 0.415 nan 8.310 nan 0.000 0.514 438 D N -0.477 119.727 120.400 -0.326 0.000 2.470 438 D HA 0.294 4.938 4.640 0.007 0.000 0.233 438 D C -0.508 175.698 176.300 -0.156 0.000 1.372 438 D CA -0.676 53.147 54.000 -0.295 0.000 0.994 438 D CB 0.413 41.126 40.800 -0.146 0.000 1.377 438 D HN -0.035 nan 8.370 nan 0.000 0.586 439 Y N 1.470 121.749 120.300 -0.036 0.000 2.639 439 Y HA 0.009 4.564 4.550 0.008 0.000 0.297 439 Y C 2.170 178.071 175.900 0.002 0.000 1.151 439 Y CA 0.809 58.896 58.100 -0.021 0.000 1.335 439 Y CB -0.456 37.985 38.460 -0.031 0.000 0.994 439 Y HN 0.375 nan 8.280 nan 0.000 0.548 440 T N -1.460 113.163 114.554 0.115 0.000 3.067 440 T HA -0.034 4.321 4.350 0.007 0.000 0.257 440 T C 0.954 175.699 174.700 0.074 0.000 1.105 440 T CA 0.147 62.296 62.100 0.082 0.000 1.104 440 T CB 0.003 68.897 68.868 0.043 0.000 0.925 440 T HN -0.049 nan 8.240 nan 0.000 0.498 441 K N 2.965 123.407 120.400 0.070 0.000 2.150 441 K HA 0.331 4.655 4.320 0.007 0.000 0.261 441 K C -1.294 175.362 176.600 0.093 0.000 1.127 441 K CA -0.138 56.189 56.287 0.067 0.000 0.989 441 K CB -0.263 32.270 32.500 0.054 0.000 1.475 441 K HN -0.021 nan 8.250 nan 0.000 0.391 442 V N 3.439 123.408 119.914 0.093 0.000 2.417 442 V HA 0.412 4.537 4.120 0.007 0.000 0.291 442 V C -0.349 175.790 176.094 0.076 0.000 1.024 442 V CA -0.854 61.515 62.300 0.115 0.000 0.861 442 V CB 1.866 33.784 31.823 0.159 0.000 0.985 442 V HN 0.669 nan 8.190 nan 0.000 0.436 443 T N 2.883 117.454 114.554 0.029 0.000 2.792 443 T HA 0.249 4.603 4.350 0.007 0.000 0.280 443 T C -0.371 174.251 174.700 -0.130 0.000 0.990 443 T CA -0.327 61.745 62.100 -0.046 0.000 0.960 443 T CB 1.322 70.133 68.868 -0.095 0.000 0.939 443 T HN 0.762 nan 8.240 nan 0.000 0.439 444 C N 5.249 124.422 119.300 -0.212 0.000 2.442 444 C HA 0.370 4.834 4.460 0.007 0.000 0.362 444 C C 1.664 176.362 174.990 -0.486 0.000 1.242 444 C CA -0.580 58.101 59.018 -0.561 0.000 1.741 444 C CB -2.035 25.335 27.740 -0.616 0.000 2.378 444 C HN 0.984 nan 8.230 nan 0.000 0.549 445 L N 4.744 125.645 121.223 -0.536 0.000 2.554 445 L HA 0.071 4.416 4.340 0.007 0.000 0.226 445 L C 2.061 178.621 176.870 -0.518 0.000 1.137 445 L CA 0.933 55.525 54.840 -0.414 0.000 0.863 445 L CB -0.229 41.629 42.059 -0.336 0.000 0.985 445 L HN 0.900 nan 8.230 nan 0.000 0.451 446 S N -3.652 111.632 115.700 -0.694 0.000 2.651 446 S HA -0.006 4.469 4.470 0.007 0.000 0.259 446 S C 1.746 175.944 174.600 -0.670 0.000 1.073 446 S CA -0.154 57.526 58.200 -0.867 0.000 1.090 446 S CB -0.260 62.034 63.200 -1.509 0.000 1.042 446 S HN 0.277 nan 8.310 nan 0.000 0.581 447 C N 2.082 120.987 119.300 -0.659 0.000 2.398 447 C HA 0.004 4.469 4.460 0.007 0.000 0.276 447 C C 2.430 177.136 174.990 -0.473 0.000 1.222 447 C CA 1.592 60.158 59.018 -0.754 0.000 1.746 447 C CB -1.068 26.097 27.740 -0.959 0.000 2.039 447 C HN 0.660 nan 8.230 nan 0.000 0.470 448 E N -0.126 119.885 120.200 -0.315 0.000 2.481 448 E HA 0.183 4.537 4.350 0.007 0.000 0.198 448 E C 1.851 178.396 176.600 -0.092 0.000 1.027 448 E CA -0.109 56.196 56.400 -0.158 0.000 0.900 448 E CB -0.122 29.507 29.700 -0.120 0.000 0.993 448 E HN 0.547 nan 8.360 nan 0.000 0.482 449 L N 0.271 121.434 121.223 -0.100 0.000 2.012 449 L HA -0.111 4.234 4.340 0.007 0.000 0.210 449 L C 1.021 177.899 176.870 0.015 0.000 1.073 449 L CA 0.961 55.784 54.840 -0.029 0.000 0.748 449 L CB -0.074 41.979 42.059 -0.010 0.000 0.891 449 L HN 0.134 nan 8.230 nan 0.000 0.431 450 N N -1.353 117.370 118.700 0.038 0.000 2.824 450 N HA 0.101 4.845 4.740 0.007 0.000 0.224 450 N C -2.178 173.355 175.510 0.037 0.000 1.418 450 N CA -0.816 52.252 53.050 0.030 0.000 0.743 450 N CB 0.968 39.469 38.487 0.024 0.000 1.395 450 N HN -0.146 nan 8.380 nan 0.000 0.548 451 P HA -0.085 nan 4.420 nan 0.000 0.222 451 P C 0.574 177.920 177.300 0.077 0.000 1.147 451 P CA 1.135 64.278 63.100 0.072 0.000 0.790 451 P CB 0.749 32.503 31.700 0.090 0.000 0.780 452 E N 0.435 120.661 120.200 0.043 0.000 2.033 452 E HA -0.133 4.222 4.350 0.007 0.000 0.189 452 E C 2.207 178.811 176.600 0.007 0.000 0.979 452 E CA 0.979 57.395 56.400 0.028 0.000 0.802 452 E CB -0.330 29.377 29.700 0.012 0.000 0.763 452 E HN 0.299 nan 8.360 nan 0.000 0.449 453 R N -0.376 120.115 120.500 -0.015 0.000 2.254 453 R HA 0.204 4.549 4.340 0.007 0.000 0.195 453 R C -0.109 176.145 176.300 -0.077 0.000 0.957 453 R CA 0.276 56.344 56.100 -0.053 0.000 1.024 453 R CB 0.178 30.431 30.300 -0.078 0.000 0.952 453 R HN -0.025 nan 8.270 nan 0.000 0.484 454 c N 1.169 119.735 118.600 -0.056 0.000 2.316 454 c HA 0.438 5.013 4.570 0.007 0.000 0.324 454 c C -0.161 173.901 174.090 -0.046 0.000 1.226 454 c CA -0.505 55.735 56.329 -0.149 0.000 1.450 454 c CB 1.219 43.626 42.510 -0.171 0.000 2.123 454 c HN 0.620 nan 8.230 nan 0.000 0.454 455 Q N 0.624 120.384 119.800 -0.067 0.000 2.040 455 Q HA 0.212 4.556 4.340 0.007 0.000 0.212 455 Q C -1.041 175.012 176.000 0.089 0.000 0.766 455 Q CA 0.075 55.926 55.803 0.081 0.000 0.967 455 Q CB 1.222 30.033 28.738 0.122 0.000 1.202 455 Q HN 0.799 nan 8.270 nan 0.000 0.446 456 Y N 0.330 120.501 120.300 -0.216 0.000 2.327 456 Y HA 0.426 4.981 4.550 0.008 0.000 0.325 456 Y C -1.666 174.054 175.900 -0.300 0.000 0.999 456 Y CA -0.903 57.101 58.100 -0.159 0.000 1.195 456 Y CB 0.928 39.316 38.460 -0.121 0.000 1.132 456 Y HN -0.082 nan 8.280 nan 0.000 0.455 457 Y N 2.703 122.918 120.300 -0.141 0.000 2.425 457 Y HA 0.586 5.141 4.550 0.008 0.000 0.344 457 Y C 0.066 175.893 175.900 -0.122 0.000 0.969 457 Y CA -0.684 57.348 58.100 -0.113 0.000 1.052 457 Y CB 2.270 40.630 38.460 -0.168 0.000 1.215 457 Y HN 0.552 nan 8.280 nan 0.000 0.451 458 S N 1.417 117.181 115.700 0.108 0.000 2.677 458 S HA 0.896 5.370 4.470 0.007 0.000 0.304 458 S C -1.353 173.286 174.600 0.065 0.000 1.108 458 S CA -0.769 57.479 58.200 0.079 0.000 0.944 458 S CB 2.009 65.273 63.200 0.107 0.000 1.127 458 S HN 0.578 nan 8.310 nan 0.000 0.511 459 V N -0.024 119.918 119.914 0.046 0.000 3.114 459 V HA 0.856 4.981 4.120 0.007 0.000 0.308 459 V C -1.296 174.821 176.094 0.038 0.000 1.168 459 V CA -0.324 61.953 62.300 -0.039 0.000 1.015 459 V CB 2.351 34.025 31.823 -0.249 0.000 1.050 459 V HN 1.146 nan 8.190 nan 0.000 0.433 460 S N 4.211 119.922 115.700 0.018 0.000 2.721 460 S HA 0.609 5.084 4.470 0.007 0.000 0.264 460 S C -1.157 173.586 174.600 0.238 0.000 1.161 460 S CA -0.412 57.925 58.200 0.227 0.000 1.113 460 S CB 0.208 63.604 63.200 0.327 0.000 1.079 460 S HN 0.495 nan 8.310 nan 0.000 0.479 461 F N 3.178 123.231 119.950 0.170 0.000 2.389 461 F HA 0.388 4.920 4.527 0.007 0.000 0.337 461 F C 1.530 177.062 175.800 -0.448 0.000 1.112 461 F CA -0.213 57.748 58.000 -0.065 0.000 1.192 461 F CB 1.040 39.959 39.000 -0.134 0.000 1.185 461 F HN 0.587 nan 8.300 nan 0.000 0.552 462 S N 1.852 117.030 115.700 -0.869 0.000 2.596 462 S HA 0.095 4.570 4.470 0.007 0.000 0.260 462 S C 1.380 175.765 174.600 -0.358 0.000 1.336 462 S CA -0.717 56.705 58.200 -1.298 0.000 0.993 462 S CB 0.699 63.069 63.200 -1.384 0.000 0.923 462 S HN 0.800 nan 8.310 nan 0.000 0.567 463 K N 0.355 120.653 120.400 -0.170 0.000 2.127 463 K HA -0.237 4.088 4.320 0.007 0.000 0.212 463 K C 1.047 177.637 176.600 -0.017 0.000 1.050 463 K CA 2.278 58.556 56.287 -0.015 0.000 0.929 463 K CB -0.204 32.306 32.500 0.017 0.000 0.715 463 K HN 0.738 nan 8.250 nan 0.000 0.457 464 E N -1.890 118.275 120.200 -0.058 0.000 2.558 464 E HA 0.269 4.624 4.350 0.007 0.000 0.205 464 E C -0.532 176.042 176.600 -0.044 0.000 1.006 464 E CA 0.567 56.951 56.400 -0.026 0.000 0.961 464 E CB 1.077 30.771 29.700 -0.010 0.000 1.044 464 E HN 0.376 nan 8.360 nan 0.000 0.465 465 A N 0.579 123.357 122.820 -0.070 0.000 2.925 465 A HA -0.294 4.031 4.320 0.007 0.000 0.265 465 A C 1.574 179.146 177.584 -0.021 0.000 1.419 465 A CA 1.227 53.245 52.037 -0.031 0.000 0.807 465 A CB -1.725 17.150 19.000 -0.208 0.000 1.043 465 A HN 0.192 nan 8.150 nan 0.000 0.600 466 K N -1.530 118.796 120.400 -0.123 0.000 2.103 466 K HA 0.017 4.341 4.320 0.007 0.000 0.204 466 K C 0.226 176.531 176.600 -0.491 0.000 1.052 466 K CA 1.665 57.781 56.287 -0.285 0.000 0.945 466 K CB -0.013 32.302 32.500 -0.309 0.000 0.722 466 K HN 0.721 nan 8.250 nan 0.000 0.443 467 Y N -1.112 119.104 120.300 -0.140 0.000 2.602 467 Y HA 0.299 4.854 4.550 0.007 0.000 0.342 467 Y C -0.547 175.290 175.900 -0.105 0.000 1.029 467 Y CA -1.446 56.568 58.100 -0.144 0.000 1.080 467 Y CB 1.557 39.946 38.460 -0.118 0.000 1.284 467 Y HN -0.038 nan 8.280 nan 0.000 0.485 468 Y N -1.265 119.071 120.300 0.059 0.000 2.534 468 Y HA 0.500 5.054 4.550 0.007 0.000 0.345 468 Y C -1.174 174.779 175.900 0.089 0.000 1.031 468 Y CA -1.477 56.533 58.100 -0.150 0.000 1.022 468 Y CB 1.491 39.404 38.460 -0.911 0.000 1.292 468 Y HN 0.559 nan 8.280 nan 0.000 0.459 469 Q N 3.910 123.879 119.800 0.281 0.000 2.314 469 Q HA 0.476 4.820 4.340 0.007 0.000 0.259 469 Q C -1.666 174.434 176.000 0.167 0.000 0.951 469 Q CA -0.597 55.316 55.803 0.184 0.000 0.909 469 Q CB 1.134 29.930 28.738 0.097 0.000 1.236 469 Q HN 0.962 nan 8.270 nan 0.000 0.444 470 L N 4.288 125.632 121.223 0.202 0.000 2.292 470 L HA 0.488 4.833 4.340 0.007 0.000 0.284 470 L C 0.130 177.048 176.870 0.079 0.000 1.065 470 L CA -0.370 54.565 54.840 0.158 0.000 0.806 470 L CB 1.238 43.400 42.059 0.172 0.000 1.175 470 L HN 0.533 nan 8.230 nan 0.000 0.431 471 R N 3.276 123.783 120.500 0.012 0.000 2.343 471 R HA 0.391 4.735 4.340 0.007 0.000 0.320 471 R C -1.106 175.039 176.300 -0.259 0.000 0.956 471 R CA -0.494 55.433 56.100 -0.288 0.000 0.836 471 R CB 1.436 31.605 30.300 -0.219 0.000 1.151 471 R HN 0.737 nan 8.270 nan 0.000 0.450 472 c N 3.617 121.941 118.600 -0.460 0.000 2.281 472 c HA 0.470 5.044 4.570 0.007 0.000 0.325 472 c C 0.757 174.634 174.090 -0.354 0.000 1.282 472 c CA -0.365 55.621 56.329 -0.573 0.000 1.640 472 c CB 1.091 43.163 42.510 -0.730 0.000 2.288 472 c HN 0.977 nan 8.230 nan 0.000 0.507 473 S N 3.107 118.691 115.700 -0.193 0.000 2.524 473 S HA 0.521 4.996 4.470 0.007 0.000 0.215 473 S C 0.672 175.234 174.600 -0.064 0.000 0.986 473 S CA 0.475 58.621 58.200 -0.089 0.000 0.911 473 S CB 0.346 63.514 63.200 -0.053 0.000 0.805 473 S HN 1.375 nan 8.310 nan 0.000 0.501 474 G N 1.458 110.204 108.800 -0.089 0.000 2.322 474 G HA2 0.329 4.294 3.960 0.007 0.000 0.295 474 G HA3 0.329 4.294 3.960 0.007 0.000 0.295 474 G C -3.086 171.787 174.900 -0.045 0.000 1.369 474 G CA -0.651 44.425 45.100 -0.039 0.000 0.821 474 G HN -0.175 nan 8.290 nan 0.000 0.536 475 P HA 0.194 nan 4.420 nan 0.000 0.245 475 P C 1.169 178.463 177.300 -0.010 0.000 1.206 475 P CA 1.076 64.192 63.100 0.027 0.000 0.781 475 P CB 0.585 32.305 31.700 0.033 0.000 0.994 476 G N 0.303 109.034 108.800 -0.115 0.000 2.532 476 G HA2 0.430 4.395 3.960 0.007 0.000 0.291 476 G HA3 0.430 4.395 3.960 0.007 0.000 0.291 476 G C -0.663 173.969 174.900 -0.446 0.000 1.349 476 G CA -0.604 44.339 45.100 -0.262 0.000 1.038 476 G HN -0.021 nan 8.290 nan 0.000 0.518 477 L N 1.333 122.220 121.223 -0.560 0.000 2.514 477 L HA 0.164 4.508 4.340 0.007 0.000 0.280 477 L C -1.743 174.993 176.870 -0.223 0.000 1.223 477 L CA -0.327 54.207 54.840 -0.509 0.000 0.864 477 L CB 0.105 41.958 42.059 -0.345 0.000 1.118 477 L HN 0.227 nan 8.230 nan 0.000 0.494 478 P HA 0.075 nan 4.420 nan 0.000 0.265 478 P C -1.014 176.257 177.300 -0.047 0.000 1.187 478 P CA -0.078 62.985 63.100 -0.061 0.000 0.766 478 P CB 0.576 32.346 31.700 0.117 0.000 0.820 479 L N 5.053 126.147 121.223 -0.215 0.000 2.410 479 L HA 0.479 4.824 4.340 0.007 0.000 0.270 479 L C -1.680 175.027 176.870 -0.273 0.000 0.983 479 L CA -0.779 53.992 54.840 -0.115 0.000 0.822 479 L CB 1.026 43.032 42.059 -0.089 0.000 1.285 479 L HN 0.270 nan 8.230 nan 0.000 0.409 480 Y N 2.797 123.067 120.300 -0.050 0.000 2.328 480 Y HA 0.691 5.246 4.550 0.007 0.000 0.336 480 Y C 0.284 176.088 175.900 -0.160 0.000 0.960 480 Y CA -0.586 57.464 58.100 -0.084 0.000 1.134 480 Y CB 2.125 40.514 38.460 -0.118 0.000 1.166 480 Y HN 0.651 nan 8.280 nan 0.000 0.464 481 T N 1.535 116.088 114.554 -0.001 0.000 2.906 481 T HA 0.577 4.931 4.350 0.007 0.000 0.295 481 T C -1.436 173.164 174.700 -0.166 0.000 1.061 481 T CA -0.923 61.104 62.100 -0.121 0.000 1.000 481 T CB 1.817 70.637 68.868 -0.080 0.000 1.103 481 T HN 0.448 nan 8.240 nan 0.000 0.486 482 L N 2.677 123.693 121.223 -0.346 0.000 2.307 482 L HA 0.527 4.872 4.340 0.007 0.000 0.284 482 L C -0.599 175.967 176.870 -0.507 0.000 1.023 482 L CA -0.475 54.203 54.840 -0.270 0.000 0.810 482 L CB 1.086 43.035 42.059 -0.183 0.000 1.231 482 L HN 0.865 nan 8.230 nan 0.000 0.423 483 H N 1.782 120.678 119.070 -0.290 0.000 2.768 483 H HA 0.198 4.758 4.556 0.007 0.000 0.371 483 H C -0.771 174.345 175.328 -0.354 0.000 1.151 483 H CA -0.589 55.191 56.048 -0.447 0.000 1.165 483 H CB 2.500 31.709 29.762 -0.921 0.000 1.722 483 H HN 0.468 nan 8.280 nan 0.000 0.543 484 S N 0.910 116.554 115.700 -0.094 0.000 2.438 484 S HA 0.085 4.560 4.470 0.007 0.000 0.293 484 S C 1.129 175.665 174.600 -0.106 0.000 1.141 484 S CA -0.358 57.790 58.200 -0.087 0.000 1.080 484 S CB 0.541 63.725 63.200 -0.027 0.000 0.978 484 S HN 0.696 nan 8.310 nan 0.000 0.479 485 S N 4.154 119.802 115.700 -0.087 0.000 2.489 485 S HA -0.051 4.424 4.470 0.007 0.000 0.228 485 S C 1.652 176.296 174.600 0.073 0.000 0.995 485 S CA 0.630 58.906 58.200 0.128 0.000 0.934 485 S CB -0.263 63.075 63.200 0.230 0.000 0.771 485 S HN 0.637 nan 8.310 nan 0.000 0.522 486 V N 3.280 123.188 119.914 -0.010 0.000 2.759 486 V HA -0.070 4.054 4.120 0.007 0.000 0.256 486 V C 1.059 177.164 176.094 0.018 0.000 1.080 486 V CA 1.888 64.195 62.300 0.013 0.000 1.101 486 V CB -0.588 31.225 31.823 -0.018 0.000 0.698 486 V HN 0.882 nan 8.190 nan 0.000 0.477 487 N N -2.798 115.906 118.700 0.007 0.000 2.110 487 N HA 0.083 4.827 4.740 0.007 0.000 0.230 487 N C 0.200 175.715 175.510 0.008 0.000 1.353 487 N CA 0.554 53.607 53.050 0.005 0.000 0.807 487 N CB 0.154 38.644 38.487 0.005 0.000 1.244 487 N HN 0.308 nan 8.380 nan 0.000 0.504 488 D N 0.082 120.499 120.400 0.030 0.000 2.921 488 D HA -0.241 4.403 4.640 0.007 0.000 0.202 488 D C -0.141 176.187 176.300 0.047 0.000 1.082 488 D CA 1.667 55.702 54.000 0.058 0.000 1.014 488 D CB -1.263 39.556 40.800 0.033 0.000 1.120 488 D HN 0.818 nan 8.370 nan 0.000 0.416 489 K N 1.240 121.653 120.400 0.023 0.000 2.436 489 K HA 0.374 4.699 4.320 0.007 0.000 0.275 489 K C 0.797 177.409 176.600 0.020 0.000 0.999 489 K CA 0.386 56.685 56.287 0.020 0.000 0.980 489 K CB 0.641 33.142 32.500 0.001 0.000 0.919 489 K HN 0.022 nan 8.250 nan 0.000 0.484 490 G N 2.555 111.355 108.800 0.000 0.000 2.403 490 G HA2 0.205 4.169 3.960 0.007 0.000 0.259 490 G HA3 0.205 4.169 3.960 0.007 0.000 0.259 490 G C 0.260 175.053 174.900 -0.179 0.000 1.244 490 G CA -0.802 44.190 45.100 -0.180 0.000 0.849 490 G HN 0.666 nan 8.290 nan 0.000 0.532 491 L N 1.408 122.480 121.223 -0.252 0.000 2.116 491 L HA 0.354 4.698 4.340 0.007 0.000 0.200 491 L C 1.599 178.376 176.870 -0.155 0.000 1.084 491 L CA 0.823 55.574 54.840 -0.148 0.000 0.766 491 L CB -0.035 41.960 42.059 -0.107 0.000 0.930 491 L HN 0.759 nan 8.230 nan 0.000 0.453 492 R N -2.094 118.276 120.500 -0.218 0.000 2.712 492 R HA 0.401 4.745 4.340 0.007 0.000 0.272 492 R C -1.575 174.595 176.300 -0.218 0.000 1.032 492 R CA -0.897 55.096 56.100 -0.178 0.000 0.874 492 R CB 1.349 31.574 30.300 -0.125 0.000 1.256 492 R HN -0.268 nan 8.270 nan 0.000 0.468 493 V N 3.018 122.833 119.914 -0.165 0.000 2.488 493 V HA 0.135 4.260 4.120 0.007 0.000 0.277 493 V C 1.296 177.261 176.094 -0.215 0.000 1.046 493 V CA -0.206 62.001 62.300 -0.155 0.000 0.986 493 V CB 1.011 32.779 31.823 -0.091 0.000 0.989 493 V HN 0.639 nan 8.190 nan 0.000 0.475 494 L N 2.626 123.660 121.223 -0.314 0.000 2.200 494 L HA 0.306 4.650 4.340 0.007 0.000 0.200 494 L C 0.759 177.401 176.870 -0.380 0.000 1.072 494 L CA 0.658 55.133 54.840 -0.608 0.000 0.787 494 L CB 0.183 41.509 42.059 -1.222 0.000 0.957 494 L HN 0.622 nan 8.230 nan 0.000 0.459 495 E N 0.018 120.127 120.200 -0.152 0.000 2.274 495 E HA 0.115 4.470 4.350 0.007 0.000 0.269 495 E C -0.999 175.658 176.600 0.096 0.000 0.891 495 E CA -0.414 55.989 56.400 0.005 0.000 0.784 495 E CB 1.299 30.991 29.700 -0.013 0.000 1.225 495 E HN 0.197 nan 8.360 nan 0.000 0.412 496 D N 2.798 123.229 120.400 0.050 0.000 2.398 496 D HA 0.105 4.750 4.640 0.007 0.000 0.210 496 D C -0.279 176.044 176.300 0.039 0.000 1.094 496 D CA -0.174 53.850 54.000 0.040 0.000 0.839 496 D CB 0.021 40.824 40.800 0.005 0.000 0.963 496 D HN 0.425 nan 8.370 nan 0.000 0.506 497 N N 0.129 118.864 118.700 0.059 0.000 2.747 497 N HA -0.198 4.546 4.740 0.007 0.000 0.249 497 N C 0.799 176.329 175.510 0.033 0.000 1.107 497 N CA 0.945 54.029 53.050 0.055 0.000 0.707 497 N CB -1.560 36.962 38.487 0.058 0.000 1.054 497 N HN 0.490 nan 8.380 nan 0.000 0.555 498 S N -1.524 114.193 115.700 0.028 0.000 2.481 498 S HA 0.123 4.598 4.470 0.007 0.000 0.231 498 S C 2.027 176.650 174.600 0.038 0.000 0.996 498 S CA 0.679 58.893 58.200 0.023 0.000 0.942 498 S CB 0.144 63.354 63.200 0.016 0.000 0.768 498 S HN 0.504 nan 8.310 nan 0.000 0.520 499 A N 2.550 125.400 122.820 0.051 0.000 1.835 499 A HA 0.053 4.378 4.320 0.007 0.000 0.215 499 A C 2.198 179.834 177.584 0.086 0.000 1.199 499 A CA 1.606 53.681 52.037 0.063 0.000 0.615 499 A CB -1.186 17.853 19.000 0.065 0.000 0.838 499 A HN 0.526 nan 8.150 nan 0.000 0.444 500 L N 0.478 121.761 121.223 0.101 0.000 2.013 500 L HA -0.239 4.105 4.340 0.007 0.000 0.212 500 L C 2.009 178.946 176.870 0.112 0.000 1.073 500 L CA 2.949 57.874 54.840 0.142 0.000 0.753 500 L CB -0.792 41.354 42.059 0.145 0.000 0.890 500 L HN 0.581 nan 8.230 nan 0.000 0.432 501 D N -1.166 119.267 120.400 0.055 0.000 2.133 501 D HA -0.226 4.419 4.640 0.007 0.000 0.195 501 D C 2.037 178.362 176.300 0.042 0.000 0.997 501 D CA 1.300 55.312 54.000 0.021 0.000 0.840 501 D CB 0.098 40.893 40.800 -0.008 0.000 0.947 501 D HN 0.219 nan 8.370 nan 0.000 0.452 502 K N -0.060 120.374 120.400 0.058 0.000 1.991 502 K HA -0.145 4.180 4.320 0.007 0.000 0.212 502 K C 2.321 178.978 176.600 0.094 0.000 1.049 502 K CA 1.278 57.603 56.287 0.064 0.000 0.932 502 K CB -0.600 31.937 32.500 0.062 0.000 0.717 502 K HN 0.381 nan 8.250 nan 0.000 0.441 503 M N 0.537 120.222 119.600 0.141 0.000 2.106 503 M HA -0.184 4.301 4.480 0.007 0.000 0.259 503 M C 2.050 178.477 176.300 0.211 0.000 1.068 503 M CA 1.357 56.793 55.300 0.227 0.000 1.100 503 M CB -0.479 32.332 32.600 0.351 0.000 1.351 503 M HN -0.043 nan 8.290 nan 0.000 0.404 504 L N 0.352 121.650 121.223 0.125 0.000 2.456 504 L HA -0.111 4.233 4.340 0.007 0.000 0.224 504 L C 2.527 179.406 176.870 0.014 0.000 1.148 504 L CA 1.480 56.326 54.840 0.010 0.000 0.825 504 L CB -0.908 41.147 42.059 -0.008 0.000 0.937 504 L HN 0.405 nan 8.230 nan 0.000 0.450 505 Q N -0.475 119.350 119.800 0.042 0.000 2.172 505 Q HA -0.181 4.164 4.340 0.007 0.000 0.200 505 Q C 1.732 177.760 176.000 0.048 0.000 0.964 505 Q CA 1.045 56.869 55.803 0.035 0.000 0.855 505 Q CB -0.004 28.757 28.738 0.039 0.000 0.918 505 Q HN 0.569 nan 8.270 nan 0.000 0.444 506 N N -0.190 118.553 118.700 0.072 0.000 2.461 506 N HA 0.030 4.774 4.740 0.007 0.000 0.188 506 N C -0.927 174.635 175.510 0.086 0.000 1.134 506 N CA -0.047 53.054 53.050 0.086 0.000 0.878 506 N CB 0.617 39.173 38.487 0.114 0.000 0.972 506 N HN -0.036 nan 8.380 nan 0.000 0.456 507 V N 1.326 121.272 119.914 0.052 0.000 2.604 507 V HA 0.201 4.325 4.120 0.007 0.000 0.305 507 V C -0.244 175.858 176.094 0.014 0.000 1.043 507 V CA -0.807 61.514 62.300 0.035 0.000 0.888 507 V CB 1.951 33.747 31.823 -0.044 0.000 0.995 507 V HN 0.039 nan 8.190 nan 0.000 0.429 508 Q N 4.363 124.184 119.800 0.035 0.000 2.489 508 Q HA 0.266 4.611 4.340 0.007 0.000 0.231 508 Q C -0.322 175.656 176.000 -0.037 0.000 1.273 508 Q CA -0.068 55.733 55.803 -0.002 0.000 0.898 508 Q CB 0.271 29.039 28.738 0.049 0.000 1.545 508 Q HN 0.515 nan 8.270 nan 0.000 0.538 509 M N 3.573 123.129 119.600 -0.073 0.000 2.255 509 M HA 0.367 4.852 4.480 0.007 0.000 0.336 509 M C -1.958 174.273 176.300 -0.116 0.000 1.135 509 M CA -2.481 52.763 55.300 -0.093 0.000 1.145 509 M CB 0.093 32.642 32.600 -0.085 0.000 1.473 509 M HN 0.314 nan 8.290 nan 0.000 0.462 510 P HA 0.295 nan 4.420 nan 0.000 0.277 510 P C -0.919 176.302 177.300 -0.131 0.000 1.271 510 P CA -0.367 62.645 63.100 -0.146 0.000 0.795 510 P CB 0.636 32.236 31.700 -0.168 0.000 1.101 511 S N -1.155 114.453 115.700 -0.153 0.000 2.689 511 S HA 0.619 5.094 4.470 0.007 0.000 0.306 511 S C -0.612 173.900 174.600 -0.147 0.000 1.104 511 S CA -0.833 57.291 58.200 -0.127 0.000 0.973 511 S CB 1.895 65.018 63.200 -0.129 0.000 1.121 511 S HN 0.502 nan 8.310 nan 0.000 0.523 512 K N 0.537 120.877 120.400 -0.099 0.000 2.345 512 K HA 0.401 4.725 4.320 0.007 0.000 0.255 512 K C -1.379 175.175 176.600 -0.078 0.000 0.934 512 K CA -0.535 55.700 56.287 -0.087 0.000 0.801 512 K CB 1.396 33.873 32.500 -0.038 0.000 1.137 512 K HN 0.693 nan 8.250 nan 0.000 0.424 513 K N 5.671 126.020 120.400 -0.086 0.000 2.307 513 K HA 0.325 4.649 4.320 0.007 0.000 0.263 513 K C -1.288 175.295 176.600 -0.029 0.000 0.973 513 K CA -0.618 55.635 56.287 -0.057 0.000 0.846 513 K CB 1.046 33.502 32.500 -0.075 0.000 1.100 513 K HN 0.605 nan 8.250 nan 0.000 0.438 514 L N 4.160 125.378 121.223 -0.008 0.000 2.296 514 L HA 0.448 4.792 4.340 0.007 0.000 0.286 514 L C -0.853 176.017 176.870 0.001 0.000 1.023 514 L CA -0.130 54.727 54.840 0.028 0.000 0.812 514 L CB 1.287 43.418 42.059 0.120 0.000 1.223 514 L HN 0.820 nan 8.230 nan 0.000 0.421 515 D N 2.351 122.612 120.400 -0.232 0.000 2.779 515 D HA 0.387 5.031 4.640 0.007 0.000 0.331 515 D C -1.610 174.360 176.300 -0.549 0.000 1.331 515 D CA -0.093 53.702 54.000 -0.341 0.000 0.866 515 D CB 1.956 42.480 40.800 -0.460 0.000 1.409 515 D HN 0.219 nan 8.370 nan 0.000 0.486 516 F N 0.067 119.614 119.950 -0.671 0.000 2.620 516 F HA 0.778 5.309 4.527 0.007 0.000 0.320 516 F C -0.475 175.342 175.800 0.029 0.000 1.069 516 F CA -1.006 56.675 58.000 -0.532 0.000 0.953 516 F CB 1.007 39.209 39.000 -1.331 0.000 1.322 516 F HN 0.291 nan 8.300 nan 0.000 0.479 517 I N 0.134 120.879 120.570 0.291 0.000 2.957 517 I HA 0.645 4.820 4.170 0.007 0.000 0.310 517 I C -1.309 174.994 176.117 0.311 0.000 1.063 517 I CA -1.254 60.177 61.300 0.219 0.000 1.033 517 I CB 2.329 40.460 38.000 0.217 0.000 1.230 517 I HN 0.469 nan 8.210 nan 0.000 0.447 518 I N 4.467 125.168 120.570 0.219 0.000 2.330 518 I HA 0.439 4.613 4.170 0.007 0.000 0.289 518 I C -0.822 175.423 176.117 0.213 0.000 1.001 518 I CA -0.442 60.989 61.300 0.218 0.000 1.193 518 I CB 1.201 39.291 38.000 0.150 0.000 1.345 518 I HN 0.409 nan 8.210 nan 0.000 0.461 519 L N 6.820 128.236 121.223 0.322 0.000 2.356 519 L HA 0.465 4.810 4.340 0.007 0.000 0.277 519 L C 0.202 177.215 176.870 0.238 0.000 0.996 519 L CA -0.325 54.673 54.840 0.264 0.000 0.822 519 L CB 1.021 43.248 42.059 0.279 0.000 1.256 519 L HN 0.454 nan 8.230 nan 0.000 0.413 520 N N 3.114 121.888 118.700 0.124 0.000 2.707 520 N HA -0.263 4.482 4.740 0.007 0.000 0.253 520 N C 0.135 175.691 175.510 0.077 0.000 0.998 520 N CA 1.301 54.400 53.050 0.083 0.000 0.751 520 N CB -0.927 37.598 38.487 0.064 0.000 0.920 520 N HN 0.818 nan 8.380 nan 0.000 0.539 521 E N -3.807 116.435 120.200 0.071 0.000 3.070 521 E HA -0.231 4.124 4.350 0.007 0.000 0.285 521 E C -0.759 175.852 176.600 0.017 0.000 0.972 521 E CA 1.363 57.789 56.400 0.044 0.000 0.915 521 E CB -1.501 28.213 29.700 0.024 0.000 1.466 521 E HN 0.551 nan 8.360 nan 0.000 0.432 522 T N 0.184 114.752 114.554 0.024 0.000 2.876 522 T HA 0.440 4.794 4.350 0.007 0.000 0.289 522 T C -0.191 174.367 174.700 -0.237 0.000 1.014 522 T CA -0.953 61.062 62.100 -0.141 0.000 0.986 522 T CB 1.807 70.537 68.868 -0.231 0.000 1.021 522 T HN -0.032 nan 8.240 nan 0.000 0.458 523 K N 1.704 121.900 120.400 -0.341 0.000 2.339 523 K HA 0.456 4.780 4.320 0.007 0.000 0.286 523 K C -1.119 175.178 176.600 -0.507 0.000 1.050 523 K CA -0.065 56.037 56.287 -0.310 0.000 0.956 523 K CB 0.305 32.527 32.500 -0.462 0.000 0.990 523 K HN 0.391 nan 8.250 nan 0.000 0.475 524 F N 2.220 122.206 119.950 0.060 0.000 2.493 524 F HA 0.336 4.868 4.527 0.008 0.000 0.329 524 F C -0.550 175.298 175.800 0.079 0.000 1.126 524 F CA -0.770 57.273 58.000 0.072 0.000 0.937 524 F CB 0.960 40.028 39.000 0.114 0.000 1.146 524 F HN 0.414 nan 8.300 nan 0.000 0.442 525 W N 3.867 125.291 121.300 0.207 0.000 2.381 525 W HA 0.528 5.192 4.660 0.007 0.000 0.329 525 W C -0.660 176.042 176.519 0.305 0.000 1.157 525 W CA -0.554 56.933 57.345 0.236 0.000 1.240 525 W CB 0.792 30.327 29.460 0.126 0.000 1.199 525 W HN 0.444 nan 8.180 nan 0.000 0.579 526 Y N -0.034 120.591 120.300 0.543 0.000 2.588 526 Y HA 0.645 5.200 4.550 0.008 0.000 0.343 526 Y C -0.785 175.360 175.900 0.408 0.000 1.065 526 Y CA -1.794 56.632 58.100 0.543 0.000 1.038 526 Y CB 1.121 40.043 38.460 0.769 0.000 1.297 526 Y HN 0.573 nan 8.280 nan 0.000 0.467 527 Q N 2.656 122.725 119.800 0.448 0.000 2.458 527 Q HA 0.797 5.141 4.340 0.007 0.000 0.282 527 Q C -1.755 174.389 176.000 0.240 0.000 1.106 527 Q CA -1.232 54.715 55.803 0.240 0.000 0.814 527 Q CB 3.312 32.147 28.738 0.162 0.000 1.425 527 Q HN 0.903 nan 8.270 nan 0.000 0.437 528 M N 2.105 121.761 119.600 0.094 0.000 2.271 528 M HA 0.397 4.881 4.480 0.007 0.000 0.285 528 M C -1.440 174.795 176.300 -0.110 0.000 1.059 528 M CA -0.818 54.469 55.300 -0.022 0.000 0.940 528 M CB 2.318 34.873 32.600 -0.076 0.000 1.636 528 M HN 0.611 nan 8.290 nan 0.000 0.460 529 I N 5.074 125.570 120.570 -0.124 0.000 2.301 529 I HA 0.353 4.527 4.170 0.007 0.000 0.292 529 I C -0.467 175.497 176.117 -0.254 0.000 1.046 529 I CA -0.251 60.949 61.300 -0.168 0.000 1.282 529 I CB 0.292 38.209 38.000 -0.139 0.000 1.409 529 I HN 0.630 nan 8.210 nan 0.000 0.484 530 L N 8.479 129.505 121.223 -0.329 0.000 2.309 530 L HA 0.451 4.796 4.340 0.007 0.000 0.282 530 L C -2.198 174.488 176.870 -0.307 0.000 1.036 530 L CA -1.834 52.722 54.840 -0.475 0.000 0.806 530 L CB 1.247 42.830 42.059 -0.793 0.000 1.220 530 L HN 0.284 nan 8.230 nan 0.000 0.429 531 P HA 0.022 nan 4.420 nan 0.000 0.267 531 P C -2.420 174.841 177.300 -0.066 0.000 1.200 531 P CA -0.761 62.264 63.100 -0.126 0.000 0.772 531 P CB -0.278 31.380 31.700 -0.070 0.000 0.855 532 P HA -0.099 nan 4.420 nan 0.000 0.267 532 P C -0.071 177.178 177.300 -0.086 0.000 1.200 532 P CA 0.775 63.769 63.100 -0.177 0.000 0.772 532 P CB 0.008 31.576 31.700 -0.221 0.000 0.855 533 H N -1.317 117.790 119.070 0.063 0.000 2.791 533 H HA -0.200 4.361 4.556 0.007 0.000 0.302 533 H C 0.109 175.495 175.328 0.097 0.000 1.198 533 H CA 0.133 56.221 56.048 0.067 0.000 1.145 533 H CB -2.425 27.365 29.762 0.047 0.000 1.385 533 H HN 0.430 nan 8.280 nan 0.000 0.409 534 F N 2.546 122.497 119.950 0.002 0.000 2.593 534 F HA 0.066 4.597 4.527 0.007 0.000 0.393 534 F C 0.656 176.474 175.800 0.030 0.000 1.037 534 F CA 0.149 58.120 58.000 -0.049 0.000 1.195 534 F CB 0.439 39.300 39.000 -0.233 0.000 1.034 534 F HN 0.130 nan 8.300 nan 0.000 0.552 535 D N 6.771 126.826 120.400 -0.575 0.000 2.441 535 D HA 0.146 4.791 4.640 0.007 0.000 0.231 535 D C 0.729 176.647 176.300 -0.637 0.000 1.073 535 D CA -0.331 53.413 54.000 -0.426 0.000 0.850 535 D CB 1.186 41.879 40.800 -0.178 0.000 1.062 535 D HN 0.636 nan 8.370 nan 0.000 0.524 536 K N 0.960 121.065 120.400 -0.492 0.000 2.218 536 K HA -0.132 4.192 4.320 0.007 0.000 0.205 536 K C 1.531 178.112 176.600 -0.031 0.000 1.046 536 K CA 1.254 57.410 56.287 -0.217 0.000 0.933 536 K CB 0.087 32.594 32.500 0.012 0.000 0.728 536 K HN 0.377 nan 8.250 nan 0.000 0.454 537 S N 0.168 115.819 115.700 -0.080 0.000 2.593 537 S HA 0.085 4.559 4.470 0.007 0.000 0.217 537 S C 0.428 174.977 174.600 -0.084 0.000 0.966 537 S CA -0.116 58.056 58.200 -0.047 0.000 0.914 537 S CB 0.164 63.334 63.200 -0.049 0.000 0.776 537 S HN 0.069 nan 8.310 nan 0.000 0.523 538 K N 1.323 121.635 120.400 -0.147 0.000 2.118 538 K HA 0.432 4.756 4.320 0.007 0.000 0.254 538 K C -0.588 175.866 176.600 -0.243 0.000 0.961 538 K CA -0.824 55.303 56.287 -0.267 0.000 0.876 538 K CB 0.777 32.996 32.500 -0.468 0.000 1.077 538 K HN 0.012 nan 8.250 nan 0.000 0.440 539 K N 2.343 122.573 120.400 -0.283 0.000 2.183 539 K HA 0.305 4.630 4.320 0.007 0.000 0.274 539 K C -0.880 175.547 176.600 -0.289 0.000 1.009 539 K CA -0.363 55.832 56.287 -0.154 0.000 0.888 539 K CB 0.796 33.230 32.500 -0.111 0.000 1.078 539 K HN 0.457 nan 8.250 nan 0.000 0.459 540 Y N 1.975 122.283 120.300 0.014 0.000 2.446 540 Y HA 0.284 4.839 4.550 0.007 0.000 0.345 540 Y C -1.958 173.864 175.900 -0.129 0.000 0.984 540 Y CA -2.412 55.674 58.100 -0.023 0.000 1.058 540 Y CB 1.720 40.230 38.460 0.083 0.000 1.220 540 Y HN 0.443 nan 8.280 nan 0.000 0.455 541 P HA 0.092 nan 4.420 nan 0.000 0.268 541 P C -1.001 176.122 177.300 -0.295 0.000 1.205 541 P CA 0.026 62.810 63.100 -0.526 0.000 0.771 541 P CB 1.236 32.309 31.700 -1.045 0.000 0.858 542 L N 3.518 124.598 121.223 -0.238 0.000 2.385 542 L HA 0.559 4.904 4.340 0.007 0.000 0.273 542 L C -1.276 175.747 176.870 0.254 0.000 0.990 542 L CA -1.145 53.709 54.840 0.025 0.000 0.821 542 L CB 1.788 43.870 42.059 0.039 0.000 1.279 542 L HN 0.131 nan 8.230 nan 0.000 0.412 543 L N 5.318 126.711 121.223 0.284 0.000 2.305 543 L HA 0.519 4.863 4.340 0.007 0.000 0.284 543 L C -1.265 175.826 176.870 0.368 0.000 1.013 543 L CA -0.352 54.721 54.840 0.388 0.000 0.819 543 L CB 1.565 43.804 42.059 0.300 0.000 1.227 543 L HN 0.653 nan 8.230 nan 0.000 0.417 544 L N 5.070 126.572 121.223 0.465 0.000 2.261 544 L HA 0.386 4.731 4.340 0.007 0.000 0.289 544 L C -0.509 176.632 176.870 0.451 0.000 1.059 544 L CA 0.171 55.280 54.840 0.449 0.000 0.816 544 L CB 0.546 42.911 42.059 0.511 0.000 1.191 544 L HN 0.633 nan 8.230 nan 0.000 0.431 545 D N 4.123 124.774 120.400 0.419 0.000 2.316 545 D HA 0.207 4.851 4.640 0.007 0.000 0.245 545 D C -0.965 175.457 176.300 0.203 0.000 1.171 545 D CA 0.103 54.307 54.000 0.340 0.000 0.856 545 D CB 1.254 42.324 40.800 0.449 0.000 1.090 545 D HN 0.310 nan 8.370 nan 0.000 0.476 546 V N 6.637 126.577 119.914 0.044 0.000 2.540 546 V HA 0.346 4.471 4.120 0.007 0.000 0.302 546 V C -0.743 175.465 176.094 0.191 0.000 1.035 546 V CA -0.524 61.867 62.300 0.151 0.000 0.873 546 V CB 1.455 33.370 31.823 0.152 0.000 0.992 546 V HN 0.607 nan 8.190 nan 0.000 0.428 547 Y N 6.333 126.710 120.300 0.128 0.000 2.488 547 Y HA 0.495 5.050 4.550 0.007 0.000 0.262 547 Y C 1.683 177.708 175.900 0.208 0.000 1.108 547 Y CA 1.221 59.416 58.100 0.159 0.000 1.299 547 Y CB -0.253 38.294 38.460 0.145 0.000 1.231 547 Y HN 1.319 nan 8.280 nan 0.000 0.507 548 A N 0.737 123.597 122.820 0.066 0.000 2.861 548 A HA -0.160 4.165 4.320 0.007 0.000 0.261 548 A C 1.064 178.475 177.584 -0.289 0.000 1.351 548 A CA 1.081 53.089 52.037 -0.048 0.000 0.904 548 A CB -2.422 16.683 19.000 0.175 0.000 1.076 548 A HN 0.949 nan 8.150 nan 0.000 0.729 549 G N -1.042 107.298 108.800 -0.765 0.000 2.616 549 G HA2 0.500 4.465 3.960 0.007 0.000 0.268 549 G HA3 0.500 4.465 3.960 0.007 0.000 0.268 549 G C -2.334 172.089 174.900 -0.795 0.000 1.213 549 G CA -0.888 43.472 45.100 -1.232 0.000 0.926 549 G HN 0.301 nan 8.290 nan 0.000 0.523 550 P HA 0.120 nan 4.420 nan 0.000 0.268 550 P C 0.533 177.585 177.300 -0.413 0.000 1.204 550 P CA -0.010 62.743 63.100 -0.579 0.000 0.768 550 P CB 0.860 31.892 31.700 -1.113 0.000 0.842 551 C N 2.323 121.441 119.300 -0.303 0.000 4.397 551 C HA -0.147 4.317 4.460 0.007 0.000 0.291 551 C C 0.909 175.769 174.990 -0.217 0.000 1.408 551 C CA 1.127 59.931 59.018 -0.356 0.000 1.971 551 C CB -2.795 24.595 27.740 -0.583 0.000 1.258 551 C HN 0.797 nan 8.230 nan 0.000 0.795 552 S N 0.030 115.556 115.700 -0.290 0.000 2.617 552 S HA 0.568 5.043 4.470 0.007 0.000 0.269 552 S C -0.604 173.994 174.600 -0.004 0.000 1.292 552 S CA 0.083 58.114 58.200 -0.282 0.000 1.010 552 S CB 1.672 64.254 63.200 -1.031 0.000 0.944 552 S HN 0.824 nan 8.310 nan 0.000 0.536 553 Q N 0.340 120.264 119.800 0.206 0.000 2.374 553 Q HA 0.344 4.688 4.340 0.007 0.000 0.250 553 Q C -0.629 175.526 176.000 0.258 0.000 0.918 553 Q CA -0.609 55.352 55.803 0.262 0.000 0.778 553 Q CB 0.912 29.907 28.738 0.428 0.000 1.328 553 Q HN 0.674 nan 8.270 nan 0.000 0.445 554 K N 1.008 121.542 120.400 0.223 0.000 2.353 554 K HA 0.321 4.646 4.320 0.007 0.000 0.195 554 K C -0.295 176.435 176.600 0.217 0.000 1.031 554 K CA 0.292 56.722 56.287 0.238 0.000 1.079 554 K CB 1.355 34.014 32.500 0.265 0.000 0.857 554 K HN 0.498 nan 8.250 nan 0.000 0.535 555 A N 2.787 125.734 122.820 0.210 0.000 2.273 555 A HA 0.448 4.773 4.320 0.007 0.000 0.320 555 A C -0.816 176.849 177.584 0.136 0.000 1.358 555 A CA -0.504 51.657 52.037 0.207 0.000 0.910 555 A CB 0.173 19.349 19.000 0.293 0.000 1.159 555 A HN 0.251 nan 8.150 nan 0.000 0.526 556 D N -0.111 120.348 120.400 0.098 0.000 2.692 556 D HA 0.334 4.979 4.640 0.007 0.000 0.303 556 D C 0.365 176.680 176.300 0.026 0.000 1.278 556 D CA 0.254 54.295 54.000 0.068 0.000 0.852 556 D CB 0.190 41.038 40.800 0.080 0.000 1.375 556 D HN 0.190 nan 8.370 nan 0.000 0.453 557 T N -2.350 112.231 114.554 0.045 0.000 3.144 557 T HA 0.266 4.620 4.350 0.007 0.000 0.249 557 T C 0.657 175.315 174.700 -0.070 0.000 1.089 557 T CA -0.281 61.836 62.100 0.030 0.000 0.989 557 T CB -0.590 68.342 68.868 0.108 0.000 0.992 557 T HN 0.298 nan 8.240 nan 0.000 0.540 558 V N 2.513 122.274 119.914 -0.255 0.000 2.655 558 V HA 0.237 4.362 4.120 0.007 0.000 0.300 558 V C 0.218 176.275 176.094 -0.062 0.000 1.044 558 V CA -0.773 61.353 62.300 -0.290 0.000 1.095 558 V CB -0.178 31.370 31.823 -0.458 0.000 0.952 558 V HN 0.523 nan 8.190 nan 0.000 0.485 559 F N 6.171 126.033 119.950 -0.147 0.000 2.420 559 F HA 0.535 5.066 4.527 0.008 0.000 0.352 559 F C 0.521 176.275 175.800 -0.076 0.000 1.108 559 F CA -0.255 57.686 58.000 -0.099 0.000 1.162 559 F CB 0.322 39.273 39.000 -0.081 0.000 1.118 559 F HN 0.414 nan 8.300 nan 0.000 0.510 560 R N 6.690 126.789 120.500 -0.669 0.000 2.575 560 R HA 0.493 4.838 4.340 0.007 0.000 0.293 560 R C -1.507 174.402 176.300 -0.653 0.000 0.983 560 R CA -0.945 54.864 56.100 -0.484 0.000 0.887 560 R CB 1.968 32.136 30.300 -0.220 0.000 1.184 560 R HN 0.659 nan 8.270 nan 0.000 0.445 561 L N 4.655 125.638 121.223 -0.399 0.000 2.283 561 L HA 0.378 4.722 4.340 0.007 0.000 0.281 561 L C -0.496 176.361 176.870 -0.021 0.000 1.033 561 L CA -0.561 54.107 54.840 -0.287 0.000 0.848 561 L CB 0.296 42.300 42.059 -0.090 0.000 1.226 561 L HN 0.772 nan 8.230 nan 0.000 0.429 562 N N 0.481 119.100 118.700 -0.135 0.000 3.418 562 N HA 0.154 4.898 4.740 0.007 0.000 0.316 562 N C 0.193 175.367 175.510 -0.561 0.000 1.601 562 N CA -0.886 52.002 53.050 -0.271 0.000 0.805 562 N CB 0.159 38.598 38.487 -0.080 0.000 1.873 562 N HN 0.281 nan 8.380 nan 0.000 0.615 563 W N 0.636 121.311 121.300 -1.042 0.000 2.335 563 W HA 0.098 4.762 4.660 0.007 0.000 0.311 563 W C 2.093 178.528 176.519 -0.139 0.000 1.213 563 W CA 3.064 60.010 57.345 -0.664 0.000 1.274 563 W CB -1.071 28.158 29.460 -0.385 0.000 1.148 563 W HN 0.702 nan 8.180 nan 0.000 0.498 564 A N -0.181 122.552 122.820 -0.146 0.000 1.917 564 A HA -0.274 4.051 4.320 0.007 0.000 0.219 564 A C 1.946 179.399 177.584 -0.218 0.000 1.182 564 A CA 2.886 54.785 52.037 -0.231 0.000 0.633 564 A CB -1.427 17.539 19.000 -0.057 0.000 0.819 564 A HN 0.347 nan 8.150 nan 0.000 0.448 565 T N -1.360 113.086 114.554 -0.180 0.000 2.699 565 T HA -0.249 4.106 4.350 0.007 0.000 0.268 565 T C 1.763 176.466 174.700 0.004 0.000 1.036 565 T CA 1.790 63.762 62.100 -0.214 0.000 1.147 565 T CB -0.530 68.047 68.868 -0.484 0.000 0.862 565 T HN 0.733 nan 8.240 nan 0.000 0.446 566 Y N 1.631 121.989 120.300 0.097 0.000 2.242 566 Y HA 0.025 4.579 4.550 0.007 0.000 0.291 566 Y C 1.969 177.859 175.900 -0.016 0.000 1.137 566 Y CA 0.931 59.138 58.100 0.178 0.000 1.181 566 Y CB -0.456 38.094 38.460 0.150 0.000 0.989 566 Y HN 0.094 nan 8.280 nan 0.000 0.527 567 L N 0.273 121.094 121.223 -0.670 0.000 2.141 567 L HA -0.138 4.206 4.340 0.007 0.000 0.209 567 L C 2.765 179.396 176.870 -0.398 0.000 1.094 567 L CA 1.058 55.454 54.840 -0.740 0.000 0.763 567 L CB -0.724 40.926 42.059 -0.682 0.000 0.908 567 L HN 0.428 nan 8.230 nan 0.000 0.437 568 A N -1.423 121.231 122.820 -0.276 0.000 1.903 568 A HA -0.115 4.210 4.320 0.007 0.000 0.213 568 A C 2.481 179.990 177.584 -0.126 0.000 1.185 568 A CA 1.424 53.349 52.037 -0.186 0.000 0.628 568 A CB -0.418 18.470 19.000 -0.187 0.000 0.830 568 A HN 0.259 nan 8.150 nan 0.000 0.446 569 S N -0.751 114.897 115.700 -0.087 0.000 2.344 569 S HA -0.120 4.354 4.470 0.007 0.000 0.217 569 S C 2.045 176.656 174.600 0.018 0.000 1.033 569 S CA 2.287 60.489 58.200 0.003 0.000 1.017 569 S CB -0.372 62.905 63.200 0.129 0.000 0.941 569 S HN 0.614 nan 8.310 nan 0.000 0.430 570 T N 1.197 115.744 114.554 -0.011 0.000 3.010 570 T HA 0.166 4.521 4.350 0.007 0.000 0.252 570 T C 1.424 176.090 174.700 -0.056 0.000 1.047 570 T CA 0.524 62.639 62.100 0.025 0.000 1.140 570 T CB -0.098 68.886 68.868 0.192 0.000 0.885 570 T HN 0.260 nan 8.240 nan 0.000 0.464 571 E N 1.205 121.272 120.200 -0.220 0.000 2.474 571 E HA 0.158 4.512 4.350 0.007 0.000 0.194 571 E C 0.043 176.617 176.600 -0.043 0.000 1.041 571 E CA -0.059 56.255 56.400 -0.143 0.000 0.874 571 E CB -0.306 29.245 29.700 -0.248 0.000 0.914 571 E HN 0.517 nan 8.360 nan 0.000 0.498 572 N N 0.410 119.090 118.700 -0.034 0.000 2.758 572 N HA -0.187 4.557 4.740 0.007 0.000 0.248 572 N C -0.985 174.573 175.510 0.081 0.000 1.076 572 N CA 0.249 53.337 53.050 0.064 0.000 0.696 572 N CB -1.221 37.367 38.487 0.168 0.000 0.979 572 N HN 0.171 nan 8.380 nan 0.000 0.550 573 I N 0.901 121.451 120.570 -0.033 0.000 2.354 573 I HA 0.353 4.527 4.170 0.007 0.000 0.292 573 I C 0.640 176.703 176.117 -0.090 0.000 0.989 573 I CA -0.870 60.414 61.300 -0.026 0.000 1.188 573 I CB 1.246 39.247 38.000 0.002 0.000 1.342 573 I HN 0.033 nan 8.210 nan 0.000 0.457 574 I N 6.448 126.970 120.570 -0.080 0.000 2.556 574 I HA 0.086 4.261 4.170 0.007 0.000 0.284 574 I C -0.283 175.797 176.117 -0.061 0.000 1.114 574 I CA -0.167 61.058 61.300 -0.126 0.000 1.418 574 I CB 0.585 38.521 38.000 -0.107 0.000 1.394 574 I HN 0.212 nan 8.210 nan 0.000 0.552 575 V N 6.588 126.457 119.914 -0.074 0.000 2.334 575 V HA 0.606 4.731 4.120 0.007 0.000 0.281 575 V C 0.345 176.453 176.094 0.024 0.000 1.016 575 V CA -0.507 61.799 62.300 0.010 0.000 0.832 575 V CB 1.119 32.941 31.823 -0.001 0.000 0.999 575 V HN 0.850 nan 8.190 nan 0.000 0.439 576 A N 3.913 126.771 122.820 0.064 0.000 2.325 576 A HA 0.921 5.246 4.320 0.007 0.000 0.333 576 A C -0.041 177.706 177.584 0.272 0.000 1.155 576 A CA -0.428 51.647 52.037 0.063 0.000 0.814 576 A CB 1.601 20.439 19.000 -0.271 0.000 1.206 576 A HN 0.673 nan 8.150 nan 0.000 0.482 577 S N -0.386 115.528 115.700 0.356 0.000 2.634 577 S HA 0.835 5.309 4.470 0.007 0.000 0.296 577 S C -1.502 173.470 174.600 0.621 0.000 1.104 577 S CA -0.276 58.184 58.200 0.433 0.000 0.920 577 S CB 1.350 64.751 63.200 0.335 0.000 1.111 577 S HN 0.832 nan 8.310 nan 0.000 0.493 578 F N 1.653 121.833 119.950 0.384 0.000 2.605 578 F HA 0.360 4.892 4.527 0.008 0.000 0.320 578 F C -1.810 174.171 175.800 0.301 0.000 1.159 578 F CA -0.658 57.579 58.000 0.396 0.000 0.999 578 F CB 1.381 40.589 39.000 0.345 0.000 1.258 578 F HN 0.405 nan 8.300 nan 0.000 0.464 579 D N 5.303 125.521 120.400 -0.302 0.000 2.485 579 D HA 0.323 4.968 4.640 0.007 0.000 0.221 579 D C 0.513 176.568 176.300 -0.408 0.000 1.112 579 D CA 0.111 53.992 54.000 -0.197 0.000 0.911 579 D CB 1.422 42.241 40.800 0.032 0.000 1.019 579 D HN 0.746 nan 8.370 nan 0.000 0.516 580 G N 1.204 109.779 108.800 -0.375 0.000 2.582 580 G HA2 0.210 4.174 3.960 0.007 0.000 0.232 580 G HA3 0.210 4.174 3.960 0.007 0.000 0.232 580 G C 0.323 175.216 174.900 -0.012 0.000 1.458 580 G CA -0.647 44.289 45.100 -0.274 0.000 1.062 580 G HN 0.273 nan 8.290 nan 0.000 0.566 581 R N -0.768 119.709 120.500 -0.039 0.000 2.679 581 R HA 0.374 4.718 4.340 0.007 0.000 0.268 581 R C 1.297 177.650 176.300 0.088 0.000 1.044 581 R CA 1.294 57.451 56.100 0.095 0.000 1.105 581 R CB 0.496 30.835 30.300 0.064 0.000 0.989 581 R HN 1.011 nan 8.270 nan 0.000 0.447 582 G N 1.002 109.849 108.800 0.079 0.000 2.253 582 G HA2 -0.343 3.621 3.960 0.007 0.000 0.251 582 G HA3 -0.343 3.621 3.960 0.007 0.000 0.251 582 G C 0.166 175.031 174.900 -0.059 0.000 0.998 582 G CA 0.331 45.450 45.100 0.031 0.000 0.621 582 G HN 0.727 nan 8.290 nan 0.000 0.524 583 S N 0.344 116.015 115.700 -0.048 0.000 2.600 583 S HA 0.645 5.119 4.470 0.007 0.000 0.265 583 S C 0.964 175.480 174.600 -0.140 0.000 1.325 583 S CA 0.463 58.606 58.200 -0.095 0.000 1.002 583 S CB 1.747 64.932 63.200 -0.026 0.000 0.921 583 S HN 1.635 nan 8.310 nan 0.000 0.554 584 G N -0.832 107.827 108.800 -0.235 0.000 2.568 584 G HA2 0.480 4.444 3.960 0.007 0.000 0.293 584 G HA3 0.480 4.444 3.960 0.007 0.000 0.293 584 G C -0.695 174.010 174.900 -0.324 0.000 1.347 584 G CA -1.059 43.758 45.100 -0.472 0.000 1.039 584 G HN 1.008 nan 8.290 nan 0.000 0.523 585 Y N -2.165 118.116 120.300 -0.032 0.000 4.538 585 Y HA -0.254 4.301 4.550 0.007 0.000 0.225 585 Y C 1.426 177.321 175.900 -0.009 0.000 1.074 585 Y CA 1.163 59.258 58.100 -0.010 0.000 1.942 585 Y CB -1.756 36.718 38.460 0.024 0.000 1.618 585 Y HN 0.475 nan 8.280 nan 0.000 0.642 586 Q N 0.054 119.855 119.800 0.002 0.000 2.086 586 Q HA 0.475 4.819 4.340 0.007 0.000 0.220 586 Q C 0.827 176.715 176.000 -0.186 0.000 0.792 586 Q CA 0.179 55.992 55.803 0.016 0.000 1.062 586 Q CB 1.744 30.488 28.738 0.010 0.000 1.198 586 Q HN 0.540 nan 8.270 nan 0.000 0.466 587 G N 0.749 109.317 108.800 -0.386 0.000 2.663 587 G HA2 -0.183 3.781 3.960 0.007 0.000 0.686 587 G HA3 -0.183 3.781 3.960 0.007 0.000 0.686 587 G C -0.468 174.050 174.900 -0.637 0.000 1.246 587 G CA -0.526 44.074 45.100 -0.833 0.000 0.795 587 G HN 0.096 nan 8.290 nan 0.000 0.627 588 D N 0.163 120.143 120.400 -0.700 0.000 2.117 588 D HA -0.066 4.579 4.640 0.007 0.000 0.198 588 D C 2.299 178.285 176.300 -0.522 0.000 0.982 588 D CA 1.548 55.081 54.000 -0.779 0.000 0.828 588 D CB -0.065 40.251 40.800 -0.808 0.000 0.967 588 D HN 0.532 nan 8.370 nan 0.000 0.464 589 K N 0.780 120.946 120.400 -0.391 0.000 2.107 589 K HA -0.148 4.176 4.320 0.007 0.000 0.211 589 K C 1.974 178.485 176.600 -0.147 0.000 1.049 589 K CA 1.138 57.292 56.287 -0.222 0.000 0.927 589 K CB -0.377 32.005 32.500 -0.198 0.000 0.714 589 K HN 0.178 nan 8.250 nan 0.000 0.452 590 I N -0.556 119.912 120.570 -0.169 0.000 2.339 590 I HA -0.164 4.010 4.170 0.007 0.000 0.245 590 I C 2.557 178.643 176.117 -0.051 0.000 1.096 590 I CA 1.020 62.291 61.300 -0.048 0.000 1.408 590 I CB -0.205 37.782 38.000 -0.023 0.000 1.092 590 I HN 0.273 nan 8.210 nan 0.000 0.423 591 M N 0.270 119.765 119.600 -0.175 0.000 2.086 591 M HA -0.239 4.245 4.480 0.007 0.000 0.261 591 M C 2.047 178.351 176.300 0.007 0.000 1.067 591 M CA 1.894 57.106 55.300 -0.148 0.000 1.116 591 M CB -0.281 32.126 32.600 -0.321 0.000 1.348 591 M HN 0.269 nan 8.290 nan 0.000 0.407 592 H N -0.266 118.684 119.070 -0.199 0.000 2.547 592 H HA 0.220 4.781 4.556 0.007 0.000 0.266 592 H C 1.854 177.194 175.328 0.019 0.000 0.988 592 H CA 0.726 56.672 56.048 -0.170 0.000 1.147 592 H CB -0.576 29.009 29.762 -0.295 0.000 1.365 592 H HN 0.469 nan 8.280 nan 0.000 0.589 593 A N 1.283 124.195 122.820 0.154 0.000 1.940 593 A HA -0.157 4.168 4.320 0.007 0.000 0.219 593 A C 1.881 179.651 177.584 0.309 0.000 1.176 593 A CA 1.689 53.831 52.037 0.175 0.000 0.631 593 A CB -0.605 18.458 19.000 0.104 0.000 0.814 593 A HN 0.372 nan 8.150 nan 0.000 0.446 594 I N -1.710 119.028 120.570 0.280 0.000 3.810 594 I HA 0.139 4.313 4.170 0.007 0.000 0.322 594 I C 0.385 176.599 176.117 0.163 0.000 1.288 594 I CA -0.816 60.618 61.300 0.223 0.000 1.143 594 I CB -1.322 36.775 38.000 0.162 0.000 1.012 594 I HN 0.247 nan 8.210 nan 0.000 0.423 595 N N 2.908 121.745 118.700 0.228 0.000 2.359 595 N HA -0.070 4.674 4.740 0.007 0.000 0.261 595 N C 0.241 175.792 175.510 0.068 0.000 1.267 595 N CA 0.200 53.380 53.050 0.217 0.000 0.864 595 N CB 0.236 38.821 38.487 0.163 0.000 1.063 595 N HN 0.367 nan 8.380 nan 0.000 0.474 596 R N 0.843 121.359 120.500 0.028 0.000 3.989 596 R HA -0.147 4.198 4.340 0.007 0.000 0.377 596 R C -0.299 175.891 176.300 -0.183 0.000 1.158 596 R CA 0.834 56.906 56.100 -0.046 0.000 1.035 596 R CB -0.761 29.524 30.300 -0.025 0.000 1.557 596 R HN 0.672 nan 8.270 nan 0.000 0.551 597 R N 0.246 120.625 120.500 -0.201 0.000 2.635 597 R HA 0.173 4.517 4.340 0.007 0.000 0.393 597 R C -0.672 175.615 176.300 -0.021 0.000 1.070 597 R CA -0.636 55.201 56.100 -0.438 0.000 1.118 597 R CB 0.466 30.500 30.300 -0.444 0.000 1.341 597 R HN -0.114 nan 8.270 nan 0.000 0.628 598 L N 0.510 121.794 121.223 0.102 0.000 2.514 598 L HA 0.147 4.492 4.340 0.007 0.000 0.280 598 L C 1.558 178.681 176.870 0.422 0.000 1.223 598 L CA 1.667 56.613 54.840 0.177 0.000 0.864 598 L CB 0.125 42.084 42.059 -0.166 0.000 1.118 598 L HN 0.755 nan 8.230 nan 0.000 0.494 599 G N 0.865 109.935 108.800 0.451 0.000 2.132 599 G HA2 -0.276 3.688 3.960 0.007 0.000 0.228 599 G HA3 -0.276 3.688 3.960 0.007 0.000 0.228 599 G C 0.506 175.490 174.900 0.140 0.000 1.000 599 G CA 0.954 46.249 45.100 0.324 0.000 0.693 599 G HN 0.942 nan 8.290 nan 0.000 0.515 600 T N -3.804 110.800 114.554 0.084 0.000 2.964 600 T HA 0.467 4.822 4.350 0.007 0.000 0.161 600 T C 1.592 176.284 174.700 -0.014 0.000 0.859 600 T CA 0.873 62.928 62.100 -0.075 0.000 1.015 600 T CB -0.010 68.650 68.868 -0.346 0.000 2.138 600 T HN 0.183 nan 8.240 nan 0.000 0.367 601 F N 3.563 123.550 119.950 0.062 0.000 2.154 601 F HA 0.028 4.559 4.527 0.008 0.000 0.301 601 F C 2.806 178.632 175.800 0.043 0.000 1.087 601 F CA 1.413 59.435 58.000 0.037 0.000 1.274 601 F CB -0.648 38.368 39.000 0.027 0.000 1.009 601 F HN 0.555 nan 8.300 nan 0.000 0.485 602 E N 0.721 121.066 120.200 0.243 0.000 2.150 602 E HA -0.115 4.240 4.350 0.007 0.000 0.193 602 E C 2.109 178.812 176.600 0.172 0.000 0.985 602 E CA 1.470 57.988 56.400 0.196 0.000 0.814 602 E CB -1.034 28.790 29.700 0.207 0.000 0.752 602 E HN 0.295 nan 8.360 nan 0.000 0.466 603 V N 1.883 121.877 119.914 0.133 0.000 2.283 603 V HA -0.221 3.903 4.120 0.007 0.000 0.243 603 V C 2.398 178.529 176.094 0.062 0.000 1.039 603 V CA 2.155 64.491 62.300 0.061 0.000 1.016 603 V CB -0.710 31.107 31.823 -0.011 0.000 0.650 603 V HN 0.206 nan 8.190 nan 0.000 0.449 604 E N 0.340 120.588 120.200 0.081 0.000 2.097 604 E HA -0.274 4.081 4.350 0.007 0.000 0.196 604 E C 1.894 178.521 176.600 0.046 0.000 1.000 604 E CA 1.699 58.143 56.400 0.074 0.000 0.804 604 E CB -0.238 29.538 29.700 0.128 0.000 0.740 604 E HN 0.603 nan 8.360 nan 0.000 0.454 605 D N 0.152 120.596 120.400 0.072 0.000 2.183 605 D HA -0.110 4.535 4.640 0.007 0.000 0.203 605 D C 1.939 178.246 176.300 0.012 0.000 0.969 605 D CA 0.668 54.694 54.000 0.044 0.000 0.842 605 D CB -0.101 40.767 40.800 0.113 0.000 0.957 605 D HN 0.096 nan 8.370 nan 0.000 0.484 606 Q N 0.050 119.909 119.800 0.097 0.000 2.167 606 Q HA -0.014 4.331 4.340 0.007 0.000 0.202 606 Q C 2.454 178.488 176.000 0.055 0.000 0.970 606 Q CA 0.506 56.370 55.803 0.103 0.000 0.855 606 Q CB 0.064 28.894 28.738 0.153 0.000 0.911 606 Q HN 0.429 nan 8.270 nan 0.000 0.438 607 I N 0.421 121.029 120.570 0.064 0.000 2.202 607 I HA -0.239 3.936 4.170 0.007 0.000 0.242 607 I C 2.380 178.447 176.117 -0.083 0.000 1.091 607 I CA 1.064 62.431 61.300 0.111 0.000 1.368 607 I CB -0.221 37.840 38.000 0.102 0.000 1.058 607 I HN 0.119 nan 8.210 nan 0.000 0.410 608 E N 1.511 121.613 120.200 -0.163 0.000 2.085 608 E HA -0.231 4.124 4.350 0.007 0.000 0.194 608 E C 2.123 178.417 176.600 -0.511 0.000 0.994 608 E CA 1.711 57.947 56.400 -0.272 0.000 0.801 608 E CB -0.176 29.386 29.700 -0.229 0.000 0.743 608 E HN 0.426 nan 8.360 nan 0.000 0.453 609 A N 0.820 123.173 122.820 -0.779 0.000 1.883 609 A HA -0.142 4.183 4.320 0.007 0.000 0.217 609 A C 2.482 179.298 177.584 -1.280 0.000 1.186 609 A CA 2.377 53.602 52.037 -1.353 0.000 0.624 609 A CB -1.216 16.775 19.000 -1.682 0.000 0.822 609 A HN 0.408 nan 8.150 nan 0.000 0.444 610 A N -0.570 121.898 122.820 -0.586 0.000 1.940 610 A HA -0.194 4.130 4.320 0.007 0.000 0.219 610 A C 2.264 179.659 177.584 -0.315 0.000 1.176 610 A CA 1.639 53.515 52.037 -0.268 0.000 0.631 610 A CB -0.494 18.397 19.000 -0.181 0.000 0.814 610 A HN 0.554 nan 8.150 nan 0.000 0.446 611 R N -0.854 119.444 120.500 -0.337 0.000 2.073 611 R HA -0.130 4.215 4.340 0.007 0.000 0.234 611 R C 2.416 178.547 176.300 -0.281 0.000 1.134 611 R CA 1.484 57.425 56.100 -0.266 0.000 0.952 611 R CB -0.285 29.885 30.300 -0.217 0.000 0.850 611 R HN 0.584 nan 8.270 nan 0.000 0.433 612 Q N -0.264 119.290 119.800 -0.410 0.000 2.124 612 Q HA -0.137 4.207 4.340 0.007 0.000 0.202 612 Q C 1.973 177.808 176.000 -0.275 0.000 0.977 612 Q CA 1.301 56.881 55.803 -0.373 0.000 0.850 612 Q CB -0.198 28.248 28.738 -0.487 0.000 0.901 612 Q HN 0.295 nan 8.270 nan 0.000 0.429 613 F N 1.074 120.846 119.950 -0.295 0.000 2.234 613 F HA -0.075 4.456 4.527 0.007 0.000 0.299 613 F C 2.503 178.110 175.800 -0.320 0.000 1.087 613 F CA 0.531 58.343 58.000 -0.313 0.000 1.340 613 F CB -0.823 38.032 39.000 -0.241 0.000 1.031 613 F HN -0.053 nan 8.300 nan 0.000 0.500 614 S N 0.028 115.673 115.700 -0.091 0.000 2.356 614 S HA -0.175 4.299 4.470 0.007 0.000 0.223 614 S C 1.826 176.328 174.600 -0.163 0.000 1.032 614 S CA 1.104 59.221 58.200 -0.137 0.000 1.005 614 S CB -0.320 62.797 63.200 -0.138 0.000 0.867 614 S HN 0.355 nan 8.310 nan 0.000 0.449 615 K N 0.741 121.049 120.400 -0.154 0.000 2.574 615 K HA 0.118 4.442 4.320 0.007 0.000 0.193 615 K C 1.497 178.003 176.600 -0.158 0.000 1.035 615 K CA 0.539 56.745 56.287 -0.136 0.000 0.982 615 K CB -0.206 32.224 32.500 -0.116 0.000 0.795 615 K HN 0.413 nan 8.250 nan 0.000 0.491 616 M N -0.848 118.602 119.600 -0.249 0.000 2.558 616 M HA 0.006 4.491 4.480 0.007 0.000 0.255 616 M C 1.350 177.398 176.300 -0.420 0.000 1.113 616 M CA 0.901 55.986 55.300 -0.357 0.000 1.097 616 M CB 0.334 32.596 32.600 -0.564 0.000 1.426 616 M HN 0.481 nan 8.290 nan 0.000 0.488 617 G N 1.045 109.648 108.800 -0.329 0.000 2.336 617 G HA2 -0.318 3.647 3.960 0.007 0.000 0.233 617 G HA3 -0.318 3.647 3.960 0.007 0.000 0.233 617 G C 0.571 175.435 174.900 -0.060 0.000 1.053 617 G CA 0.388 45.402 45.100 -0.144 0.000 0.625 617 G HN 0.597 nan 8.290 nan 0.000 0.511 618 F N 0.959 120.960 119.950 0.085 0.000 2.692 618 F HA 0.748 5.280 4.527 0.007 0.000 0.303 618 F C 0.348 176.247 175.800 0.164 0.000 1.114 618 F CA -0.718 57.363 58.000 0.135 0.000 1.361 618 F CB 0.215 39.368 39.000 0.255 0.000 1.063 618 F HN 0.089 nan 8.300 nan 0.000 0.550 619 V N 1.532 121.442 119.914 -0.007 0.000 2.417 619 V HA 0.166 4.290 4.120 0.007 0.000 0.291 619 V C -0.628 175.447 176.094 -0.032 0.000 1.024 619 V CA -0.850 61.461 62.300 0.018 0.000 0.861 619 V CB 1.450 33.222 31.823 -0.084 0.000 0.985 619 V HN 0.059 nan 8.190 nan 0.000 0.436 620 D N 3.847 124.226 120.400 -0.036 0.000 2.344 620 D HA 0.057 4.702 4.640 0.007 0.000 0.253 620 D C 1.042 177.288 176.300 -0.090 0.000 1.255 620 D CA -0.221 53.732 54.000 -0.079 0.000 0.894 620 D CB 0.734 41.467 40.800 -0.112 0.000 1.067 620 D HN 0.655 nan 8.370 nan 0.000 0.492 621 N N 3.190 121.840 118.700 -0.083 0.000 2.521 621 N HA -0.096 4.649 4.740 0.007 0.000 0.188 621 N C 0.810 176.277 175.510 -0.071 0.000 1.146 621 N CA 0.426 53.422 53.050 -0.090 0.000 0.893 621 N CB -0.015 38.411 38.487 -0.101 0.000 0.975 621 N HN 0.331 nan 8.380 nan 0.000 0.451 622 K N 0.053 120.420 120.400 -0.055 0.000 2.418 622 K HA 0.144 4.468 4.320 0.007 0.000 0.195 622 K C 0.099 176.704 176.600 0.007 0.000 1.035 622 K CA 0.314 56.587 56.287 -0.024 0.000 1.003 622 K CB 0.331 32.818 32.500 -0.022 0.000 0.793 622 K HN 0.212 nan 8.250 nan 0.000 0.494 623 R N 1.071 121.550 120.500 -0.035 0.000 2.653 623 R HA 0.361 4.705 4.340 0.007 0.000 0.269 623 R C -0.966 175.297 176.300 -0.060 0.000 1.603 623 R CA -0.127 55.955 56.100 -0.030 0.000 1.671 623 R CB 0.659 30.794 30.300 -0.274 0.000 1.300 623 R HN -0.020 nan 8.270 nan 0.000 0.668 624 I N 1.035 121.698 120.570 0.156 0.000 2.433 624 I HA 0.609 4.783 4.170 0.007 0.000 0.292 624 I C -0.064 176.355 176.117 0.503 0.000 1.001 624 I CA -0.759 60.664 61.300 0.204 0.000 1.119 624 I CB 2.009 39.956 38.000 -0.089 0.000 1.289 624 I HN 0.329 nan 8.210 nan 0.000 0.438 625 A N 6.829 130.058 122.820 0.681 0.000 2.437 625 A HA 0.927 5.251 4.320 0.007 0.000 0.292 625 A C -1.251 176.727 177.584 0.656 0.000 1.173 625 A CA -0.640 51.782 52.037 0.641 0.000 0.785 625 A CB 2.141 21.369 19.000 0.378 0.000 1.351 625 A HN 0.711 nan 8.150 nan 0.000 0.431 626 I N 0.208 121.041 120.570 0.439 0.000 2.827 626 I HA 0.702 4.877 4.170 0.007 0.000 0.298 626 I C -1.971 174.398 176.117 0.419 0.000 1.235 626 I CA -0.559 60.927 61.300 0.310 0.000 1.021 626 I CB 1.768 39.649 38.000 -0.199 0.000 1.259 626 I HN 0.949 nan 8.210 nan 0.000 0.427 627 W N 6.518 127.948 121.300 0.217 0.000 3.137 627 W HA 0.848 5.512 4.660 0.007 0.000 0.324 627 W C -1.646 175.021 176.519 0.248 0.000 1.253 627 W CA -1.176 56.309 57.345 0.233 0.000 1.183 627 W CB 1.046 30.703 29.460 0.329 0.000 1.424 627 W HN 0.835 nan 8.180 nan 0.000 0.566 628 G N 1.013 109.635 108.800 -0.296 0.000 2.655 628 G HA2 0.434 4.399 3.960 0.007 0.000 0.296 628 G HA3 0.434 4.399 3.960 0.007 0.000 0.296 628 G C -2.760 172.020 174.900 -0.200 0.000 1.485 628 G CA -0.676 44.164 45.100 -0.433 0.000 0.869 628 G HN 0.614 nan 8.290 nan 0.000 0.540 629 W N 1.796 122.897 121.300 -0.332 0.000 2.689 629 W HA 0.628 5.294 4.660 0.009 0.000 0.340 629 W C 0.794 177.264 176.519 -0.083 0.000 1.060 629 W CA 0.347 57.578 57.345 -0.191 0.000 1.218 629 W CB 1.732 31.070 29.460 -0.204 0.000 1.410 629 W HN 1.088 nan 8.180 nan 0.000 0.528 630 S N 1.607 117.548 115.700 0.402 0.000 3.938 630 S HA -0.420 4.054 4.470 0.007 0.000 0.624 630 S C 0.887 175.626 174.600 0.231 0.000 2.186 630 S CA 1.520 59.928 58.200 0.347 0.000 4.144 630 S CB -1.594 61.839 63.200 0.388 0.000 0.230 630 S HN 0.759 nan 8.310 nan 0.000 0.755 631 Y N 2.676 123.081 120.300 0.175 0.000 2.181 631 Y HA -0.189 4.366 4.550 0.008 0.000 0.284 631 Y C 2.434 178.523 175.900 0.314 0.000 1.179 631 Y CA 2.345 60.633 58.100 0.313 0.000 1.179 631 Y CB -0.995 37.755 38.460 0.482 0.000 0.973 631 Y HN 0.609 nan 8.280 nan 0.000 0.519 632 G N -0.800 108.269 108.800 0.449 0.000 2.476 632 G HA2 -0.322 3.643 3.960 0.007 0.000 0.218 632 G HA3 -0.322 3.643 3.960 0.007 0.000 0.218 632 G C 1.883 176.858 174.900 0.125 0.000 1.164 632 G CA 0.926 46.183 45.100 0.261 0.000 0.768 632 G HN 0.582 nan 8.290 nan 0.000 0.560 633 G N -0.326 108.528 108.800 0.090 0.000 2.418 633 G HA2 -0.243 3.721 3.960 0.007 0.000 0.217 633 G HA3 -0.243 3.721 3.960 0.007 0.000 0.217 633 G C 1.607 176.538 174.900 0.052 0.000 1.158 633 G CA 1.086 46.210 45.100 0.040 0.000 0.771 633 G HN 0.511 nan 8.290 nan 0.000 0.545 634 Y N 0.982 121.216 120.300 -0.110 0.000 2.128 634 Y HA -0.179 4.376 4.550 0.007 0.000 0.284 634 Y C 2.809 178.635 175.900 -0.123 0.000 1.154 634 Y CA 1.843 59.817 58.100 -0.211 0.000 1.149 634 Y CB -0.148 38.039 38.460 -0.454 0.000 0.976 634 Y HN 0.045 nan 8.280 nan 0.000 0.505 635 V N -0.240 119.568 119.914 -0.177 0.000 2.358 635 V HA -0.305 3.819 4.120 0.007 0.000 0.246 635 V C 2.273 178.272 176.094 -0.159 0.000 1.047 635 V CA 2.362 64.556 62.300 -0.177 0.000 1.035 635 V CB -1.090 30.800 31.823 0.111 0.000 0.658 635 V HN 0.497 nan 8.190 nan 0.000 0.452 636 T N 0.140 114.651 114.554 -0.071 0.000 2.699 636 T HA -0.199 4.155 4.350 0.007 0.000 0.268 636 T C 2.086 176.721 174.700 -0.108 0.000 1.036 636 T CA 2.043 64.100 62.100 -0.072 0.000 1.147 636 T CB -0.237 68.654 68.868 0.038 0.000 0.862 636 T HN 0.558 nan 8.240 nan 0.000 0.446 637 S N 0.988 116.641 115.700 -0.077 0.000 2.377 637 S HA 0.048 4.523 4.470 0.007 0.000 0.223 637 S C 2.139 176.638 174.600 -0.169 0.000 1.030 637 S CA 0.707 58.877 58.200 -0.050 0.000 0.970 637 S CB -0.247 62.978 63.200 0.043 0.000 0.830 637 S HN 0.291 nan 8.310 nan 0.000 0.473 638 M N 1.336 120.766 119.600 -0.284 0.000 2.106 638 M HA -0.069 4.416 4.480 0.007 0.000 0.259 638 M C 2.238 178.378 176.300 -0.266 0.000 1.068 638 M CA 1.190 56.306 55.300 -0.307 0.000 1.100 638 M CB -1.550 30.774 32.600 -0.461 0.000 1.351 638 M HN 0.173 nan 8.290 nan 0.000 0.404 639 V N 0.558 120.309 119.914 -0.271 0.000 2.295 639 V HA -0.247 3.877 4.120 0.007 0.000 0.246 639 V C 2.546 178.445 176.094 -0.326 0.000 1.049 639 V CA 1.462 63.602 62.300 -0.268 0.000 1.024 639 V CB -0.601 31.008 31.823 -0.357 0.000 0.648 639 V HN 0.416 nan 8.190 nan 0.000 0.447 640 L N 0.259 121.215 121.223 -0.444 0.000 2.201 640 L HA -0.055 4.290 4.340 0.007 0.000 0.212 640 L C 2.282 178.620 176.870 -0.887 0.000 1.105 640 L CA 1.460 55.944 54.840 -0.593 0.000 0.775 640 L CB -0.755 40.909 42.059 -0.657 0.000 0.913 640 L HN 0.493 nan 8.230 nan 0.000 0.440 641 G N -1.262 107.030 108.800 -0.848 0.000 3.042 641 G HA2 -0.089 3.875 3.960 0.007 0.000 0.212 641 G HA3 -0.089 3.875 3.960 0.007 0.000 0.212 641 G C 1.605 176.333 174.900 -0.286 0.000 1.166 641 G CA 0.621 45.331 45.100 -0.651 0.000 0.767 641 G HN 0.445 nan 8.290 nan 0.000 0.546 642 S N -0.293 115.266 115.700 -0.235 0.000 2.436 642 S HA 0.284 4.758 4.470 0.007 0.000 0.228 642 S C 1.868 176.417 174.600 -0.085 0.000 1.014 642 S CA 1.065 59.192 58.200 -0.121 0.000 0.950 642 S CB -0.249 62.900 63.200 -0.086 0.000 0.784 642 S HN 1.415 nan 8.310 nan 0.000 0.504 643 G N 1.315 110.055 108.800 -0.101 0.000 2.225 643 G HA2 -0.283 3.681 3.960 0.007 0.000 0.264 643 G HA3 -0.283 3.681 3.960 0.007 0.000 0.264 643 G C 0.729 175.615 174.900 -0.023 0.000 1.060 643 G CA 0.729 45.794 45.100 -0.058 0.000 0.833 643 G HN 1.255 nan 8.290 nan 0.000 0.498 644 S N -1.274 114.425 115.700 -0.002 0.000 2.461 644 S HA 0.356 4.830 4.470 0.007 0.000 0.228 644 S C 2.438 177.044 174.600 0.010 0.000 1.005 644 S CA 1.424 59.633 58.200 0.015 0.000 0.942 644 S CB 0.098 63.328 63.200 0.052 0.000 0.776 644 S HN 2.384 nan 8.310 nan 0.000 0.514 645 G N 0.354 109.168 108.800 0.022 0.000 2.179 645 G HA2 -0.309 3.655 3.960 0.007 0.000 0.260 645 G HA3 -0.309 3.655 3.960 0.007 0.000 0.260 645 G C 0.783 175.678 174.900 -0.008 0.000 0.977 645 G CA 0.373 45.479 45.100 0.011 0.000 0.641 645 G HN 0.633 nan 8.290 nan 0.000 0.533 646 V N -0.404 119.496 119.914 -0.023 0.000 2.379 646 V HA 0.224 4.349 4.120 0.007 0.000 0.245 646 V C 1.270 177.150 176.094 -0.356 0.000 1.044 646 V CA 1.673 63.830 62.300 -0.239 0.000 1.036 646 V CB -0.428 31.157 31.823 -0.398 0.000 0.664 646 V HN 0.304 nan 8.190 nan 0.000 0.453 647 F N -0.234 119.735 119.950 0.032 0.000 2.443 647 F HA 0.428 4.959 4.527 0.007 0.000 0.335 647 F C 1.075 176.924 175.800 0.082 0.000 1.104 647 F CA -0.783 57.264 58.000 0.079 0.000 1.013 647 F CB 1.374 40.425 39.000 0.086 0.000 1.136 647 F HN -0.266 nan 8.300 nan 0.000 0.470 648 K N 1.335 121.904 120.400 0.281 0.000 2.167 648 K HA 0.083 4.408 4.320 0.007 0.000 0.203 648 K C -0.168 176.563 176.600 0.218 0.000 1.052 648 K CA 0.923 57.335 56.287 0.208 0.000 0.956 648 K CB 0.199 32.820 32.500 0.203 0.000 0.735 648 K HN 0.818 nan 8.250 nan 0.000 0.451 649 c N -3.620 115.150 118.600 0.283 0.000 3.275 649 c HA 0.842 5.417 4.570 0.007 0.000 0.340 649 c C -0.376 173.931 174.090 0.363 0.000 1.366 649 c CA -0.626 55.889 56.329 0.309 0.000 1.227 649 c CB 1.085 43.714 42.510 0.198 0.000 1.512 649 c HN 0.307 nan 8.230 nan 0.000 0.461 650 G N 0.006 109.084 108.800 0.463 0.000 2.646 650 G HA2 0.716 4.681 3.960 0.007 0.000 0.291 650 G HA3 0.716 4.681 3.960 0.007 0.000 0.291 650 G C -2.008 173.148 174.900 0.427 0.000 1.445 650 G CA -0.727 44.621 45.100 0.413 0.000 0.814 650 G HN 1.044 nan 8.290 nan 0.000 0.495 651 I N 0.693 121.487 120.570 0.374 0.000 2.436 651 I HA 0.610 4.785 4.170 0.007 0.000 0.289 651 I C 0.141 176.395 176.117 0.229 0.000 1.010 651 I CA -0.990 60.434 61.300 0.206 0.000 1.098 651 I CB 2.243 40.386 38.000 0.239 0.000 1.266 651 I HN 0.631 nan 8.210 nan 0.000 0.434 652 A N 6.640 129.506 122.820 0.076 0.000 2.285 652 A HA 0.694 5.018 4.320 0.007 0.000 0.310 652 A C -0.686 176.809 177.584 -0.149 0.000 1.266 652 A CA -0.485 51.583 52.037 0.051 0.000 0.832 652 A CB 0.874 20.006 19.000 0.219 0.000 1.163 652 A HN 0.443 nan 8.150 nan 0.000 0.499 653 V N 2.332 122.089 119.914 -0.262 0.000 2.383 653 V HA 0.517 4.642 4.120 0.007 0.000 0.275 653 V C 1.056 176.718 176.094 -0.720 0.000 1.036 653 V CA 0.469 62.393 62.300 -0.626 0.000 0.889 653 V CB 0.567 31.719 31.823 -1.118 0.000 0.985 653 V HN 2.022 nan 8.190 nan 0.000 0.459 654 A N 5.846 128.237 122.820 -0.715 0.000 2.560 654 A HA -0.102 4.222 4.320 0.007 0.000 0.299 654 A C -2.129 175.270 177.584 -0.308 0.000 1.484 654 A CA 0.119 51.645 52.037 -0.852 0.000 0.749 654 A CB -1.624 16.980 19.000 -0.660 0.000 1.072 654 A HN 0.613 nan 8.150 nan 0.000 0.426 655 P HA 0.424 nan 4.420 nan 0.000 0.284 655 P C 0.295 177.548 177.300 -0.079 0.000 1.253 655 P CA -0.267 62.794 63.100 -0.065 0.000 0.800 655 P CB 1.138 32.830 31.700 -0.013 0.000 0.961 656 V N 2.615 122.403 119.914 -0.210 0.000 2.673 656 V HA -0.024 4.101 4.120 0.007 0.000 0.303 656 V C 1.802 177.710 176.094 -0.309 0.000 1.046 656 V CA 1.400 63.437 62.300 -0.439 0.000 1.126 656 V CB 0.291 31.500 31.823 -1.024 0.000 0.934 656 V HN 0.825 nan 8.190 nan 0.000 0.487 657 S N 4.565 120.119 115.700 -0.244 0.000 2.527 657 S HA 0.206 4.680 4.470 0.007 0.000 0.227 657 S C 0.581 174.998 174.600 -0.305 0.000 1.059 657 S CA -0.179 57.932 58.200 -0.147 0.000 0.919 657 S CB 0.287 63.473 63.200 -0.024 0.000 0.805 657 S HN 0.852 nan 8.310 nan 0.000 0.500 658 R N -1.310 118.889 120.500 -0.502 0.000 2.604 658 R HA 0.342 4.687 4.340 0.007 0.000 0.270 658 R C -1.108 174.836 176.300 -0.593 0.000 1.052 658 R CA -0.853 54.868 56.100 -0.632 0.000 0.902 658 R CB -0.065 29.902 30.300 -0.555 0.000 1.233 658 R HN 0.201 nan 8.270 nan 0.000 0.455 659 W N 1.444 122.643 121.300 -0.169 0.000 2.611 659 W HA 0.037 4.702 4.660 0.009 0.000 0.251 659 W C 1.045 177.724 176.519 0.267 0.000 1.265 659 W CA 0.399 57.744 57.345 0.000 0.000 1.295 659 W CB 0.336 29.667 29.460 -0.214 0.000 1.129 659 W HN 0.731 nan 8.180 nan 0.000 0.630 660 E N -1.234 119.145 120.200 0.299 0.000 2.435 660 E HA -0.134 4.221 4.350 0.007 0.000 0.195 660 E C 1.298 178.066 176.600 0.279 0.000 1.029 660 E CA 0.737 57.276 56.400 0.231 0.000 0.865 660 E CB -0.258 29.477 29.700 0.057 0.000 0.833 660 E HN 0.305 nan 8.360 nan 0.000 0.510 661 Y N -1.110 119.281 120.300 0.151 0.000 2.457 661 Y HA 0.037 4.591 4.550 0.007 0.000 0.292 661 Y C 0.679 176.677 175.900 0.164 0.000 1.125 661 Y CA -0.181 57.978 58.100 0.097 0.000 1.254 661 Y CB -0.448 38.014 38.460 0.004 0.000 1.012 661 Y HN 0.032 nan 8.280 nan 0.000 0.555 662 Y N 1.748 122.199 120.300 0.253 0.000 2.432 662 Y HA 0.285 4.840 4.550 0.007 0.000 0.322 662 Y C 0.401 176.525 175.900 0.373 0.000 1.246 662 Y CA -2.218 56.040 58.100 0.264 0.000 1.268 662 Y CB 0.359 38.995 38.460 0.293 0.000 1.276 662 Y HN 0.191 nan 8.280 nan 0.000 0.499 663 D N -0.556 119.583 120.400 -0.435 0.000 2.362 663 D HA 0.050 4.695 4.640 0.007 0.000 0.238 663 D C 0.863 177.162 176.300 -0.000 0.000 1.212 663 D CA 0.495 54.344 54.000 -0.251 0.000 0.902 663 D CB 0.690 41.148 40.800 -0.570 0.000 1.180 663 D HN 0.460 nan 8.370 nan 0.000 0.445 664 S N 0.361 116.068 115.700 0.013 0.000 2.371 664 S HA -0.146 4.328 4.470 0.007 0.000 0.224 664 S C 1.917 176.546 174.600 0.047 0.000 1.029 664 S CA 0.807 59.059 58.200 0.087 0.000 0.978 664 S CB -0.800 62.463 63.200 0.105 0.000 0.833 664 S HN 0.412 nan 8.310 nan 0.000 0.466 665 V N 1.060 120.938 119.914 -0.060 0.000 2.237 665 V HA -0.175 3.949 4.120 0.007 0.000 0.245 665 V C 2.285 178.285 176.094 -0.157 0.000 1.046 665 V CA 2.235 64.398 62.300 -0.229 0.000 1.007 665 V CB -1.008 30.544 31.823 -0.452 0.000 0.638 665 V HN 0.601 nan 8.190 nan 0.000 0.445 666 Y N 1.155 121.377 120.300 -0.130 0.000 2.133 666 Y HA -0.243 4.311 4.550 0.007 0.000 0.287 666 Y C 2.718 178.629 175.900 0.018 0.000 1.134 666 Y CA 2.357 60.460 58.100 0.005 0.000 1.133 666 Y CB -0.450 38.177 38.460 0.278 0.000 0.987 666 Y HN 0.235 nan 8.280 nan 0.000 0.502 667 T N 0.309 115.098 114.554 0.392 0.000 2.708 667 T HA -0.190 4.165 4.350 0.007 0.000 0.266 667 T C 1.433 176.137 174.700 0.007 0.000 1.037 667 T CA 1.926 64.202 62.100 0.294 0.000 1.146 667 T CB -0.280 68.884 68.868 0.494 0.000 0.865 667 T HN 0.449 nan 8.240 nan 0.000 0.435 668 E N 0.456 120.666 120.200 0.018 0.000 2.427 668 E HA 0.012 4.367 4.350 0.007 0.000 0.196 668 E C 2.251 178.732 176.600 -0.199 0.000 1.028 668 E CA 0.091 56.488 56.400 -0.005 0.000 0.864 668 E CB -0.041 29.701 29.700 0.071 0.000 0.813 668 E HN 0.331 nan 8.360 nan 0.000 0.514 669 R N 0.219 120.428 120.500 -0.485 0.000 2.096 669 R HA -0.173 4.172 4.340 0.007 0.000 0.235 669 R C 1.098 176.827 176.300 -0.952 0.000 1.127 669 R CA 1.506 57.096 56.100 -0.851 0.000 0.968 669 R CB 0.049 29.483 30.300 -1.443 0.000 0.861 669 R HN 0.238 nan 8.270 nan 0.000 0.440 670 Y N -1.983 118.003 120.300 -0.523 0.000 2.524 670 Y HA 0.199 4.753 4.550 0.007 0.000 0.270 670 Y C 1.842 177.574 175.900 -0.280 0.000 1.094 670 Y CA 0.054 57.848 58.100 -0.509 0.000 1.276 670 Y CB 0.337 38.382 38.460 -0.692 0.000 1.130 670 Y HN -0.048 nan 8.280 nan 0.000 0.536 671 M N -0.539 118.980 119.600 -0.135 0.000 2.421 671 M HA 0.363 4.847 4.480 0.007 0.000 0.258 671 M C 1.132 177.480 176.300 0.081 0.000 1.122 671 M CA 0.864 56.100 55.300 -0.106 0.000 1.078 671 M CB -0.452 31.942 32.600 -0.345 0.000 1.380 671 M HN 0.332 nan 8.290 nan 0.000 0.499 672 G N 1.622 110.468 108.800 0.078 0.000 2.645 672 G HA2 -0.188 3.777 3.960 0.007 0.000 0.239 672 G HA3 -0.188 3.777 3.960 0.007 0.000 0.239 672 G C -0.639 174.385 174.900 0.206 0.000 1.331 672 G CA -0.886 44.286 45.100 0.120 0.000 0.890 672 G HN 0.209 nan 8.290 nan 0.000 0.572 673 L N 2.025 123.331 121.223 0.138 0.000 2.334 673 L HA 0.434 4.778 4.340 0.007 0.000 0.277 673 L C -1.302 175.552 176.870 -0.026 0.000 1.075 673 L CA -1.784 53.093 54.840 0.063 0.000 0.804 673 L CB 0.918 42.990 42.059 0.021 0.000 1.174 673 L HN 0.449 nan 8.230 nan 0.000 0.438 674 P HA 0.064 nan 4.420 nan 0.000 0.228 674 P C -0.190 176.962 177.300 -0.247 0.000 1.748 674 P CA -0.068 62.645 63.100 -0.646 0.000 0.909 674 P CB -0.458 30.532 31.700 -1.183 0.000 1.882 675 T N -3.454 111.041 114.554 -0.098 0.000 2.932 675 T HA 0.487 4.842 4.350 0.007 0.000 0.289 675 T C -2.222 172.473 174.700 -0.007 0.000 1.039 675 T CA -2.502 59.569 62.100 -0.047 0.000 1.024 675 T CB 1.989 70.840 68.868 -0.028 0.000 1.090 675 T HN -0.305 nan 8.240 nan 0.000 0.496 676 P HA -0.123 nan 4.420 nan 0.000 0.218 676 P C 1.385 178.698 177.300 0.021 0.000 1.148 676 P CA 0.939 64.047 63.100 0.014 0.000 0.822 676 P CB 0.089 31.794 31.700 0.009 0.000 0.784 677 E N -1.352 118.857 120.200 0.015 0.000 2.482 677 E HA -0.080 4.274 4.350 0.007 0.000 0.196 677 E C 0.827 177.443 176.600 0.026 0.000 1.047 677 E CA 0.811 57.221 56.400 0.017 0.000 0.869 677 E CB -0.306 29.400 29.700 0.010 0.000 0.836 677 E HN 0.253 nan 8.360 nan 0.000 0.520 678 D N 0.982 121.404 120.400 0.036 0.000 3.012 678 D HA 0.039 4.683 4.640 0.007 0.000 0.230 678 D C 0.099 176.450 176.300 0.084 0.000 1.477 678 D CA 0.036 54.068 54.000 0.053 0.000 1.329 678 D CB -0.006 40.825 40.800 0.053 0.000 0.951 678 D HN 0.036 nan 8.370 nan 0.000 0.224 679 N N 0.064 118.842 118.700 0.129 0.000 2.466 679 N HA 0.119 4.864 4.740 0.007 0.000 0.272 679 N C 0.647 176.335 175.510 0.296 0.000 1.455 679 N CA -0.059 53.116 53.050 0.208 0.000 0.875 679 N CB 0.266 38.904 38.487 0.252 0.000 1.372 679 N HN 0.086 nan 8.380 nan 0.000 0.492 680 L N 0.338 121.659 121.223 0.162 0.000 2.046 680 L HA -0.030 4.314 4.340 0.007 0.000 0.208 680 L C 1.122 178.097 176.870 0.175 0.000 1.077 680 L CA 1.984 56.899 54.840 0.125 0.000 0.747 680 L CB -0.359 41.719 42.059 0.031 0.000 0.896 680 L HN 0.140 nan 8.230 nan 0.000 0.432 681 D N -1.470 119.016 120.400 0.145 0.000 2.133 681 D HA -0.262 4.383 4.640 0.007 0.000 0.195 681 D C 2.082 178.479 176.300 0.161 0.000 0.997 681 D CA 1.808 55.885 54.000 0.129 0.000 0.840 681 D CB -0.174 40.691 40.800 0.108 0.000 0.947 681 D HN 0.576 nan 8.370 nan 0.000 0.452 682 H N -1.293 117.848 119.070 0.118 0.000 2.470 682 H HA 0.008 4.569 4.556 0.008 0.000 0.289 682 H C 1.588 176.983 175.328 0.111 0.000 1.033 682 H CA 0.985 57.082 56.048 0.081 0.000 1.331 682 H CB -0.212 29.564 29.762 0.023 0.000 1.414 682 H HN 0.166 nan 8.280 nan 0.000 0.545 683 Y N 0.248 120.541 120.300 -0.012 0.000 2.207 683 Y HA -0.168 4.386 4.550 0.007 0.000 0.287 683 Y C 2.294 178.163 175.900 -0.052 0.000 1.156 683 Y CA 1.313 59.411 58.100 -0.003 0.000 1.182 683 Y CB 0.167 38.656 38.460 0.049 0.000 0.979 683 Y HN 0.130 nan 8.280 nan 0.000 0.521 684 R N -0.168 120.405 120.500 0.121 0.000 2.193 684 R HA -0.044 4.300 4.340 0.007 0.000 0.213 684 R C 1.373 177.671 176.300 -0.004 0.000 1.055 684 R CA 0.728 56.856 56.100 0.046 0.000 0.995 684 R CB -0.646 29.684 30.300 0.050 0.000 0.893 684 R HN 0.532 nan 8.270 nan 0.000 0.459 685 N N 0.581 119.255 118.700 -0.044 0.000 2.446 685 N HA -0.052 4.693 4.740 0.007 0.000 0.179 685 N C 0.403 175.853 175.510 -0.100 0.000 1.054 685 N CA 0.734 53.750 53.050 -0.055 0.000 0.905 685 N CB 0.292 38.781 38.487 0.004 0.000 0.973 685 N HN 0.113 nan 8.380 nan 0.000 0.448 686 S N 0.144 115.739 115.700 -0.175 0.000 2.537 686 S HA 0.064 4.538 4.470 0.007 0.000 0.246 686 S C 0.451 175.094 174.600 0.071 0.000 1.036 686 S CA -0.782 57.382 58.200 -0.060 0.000 1.041 686 S CB -0.183 62.937 63.200 -0.132 0.000 0.799 686 S HN 0.108 nan 8.310 nan 0.000 0.456 687 T N -1.485 113.066 114.554 -0.006 0.000 2.882 687 T HA 0.494 4.848 4.350 0.007 0.000 0.287 687 T C 1.334 176.029 174.700 -0.008 0.000 0.992 687 T CA -0.675 61.405 62.100 -0.034 0.000 1.076 687 T CB 1.411 70.231 68.868 -0.080 0.000 0.961 687 T HN -0.028 nan 8.240 nan 0.000 0.490 688 V N 2.533 122.442 119.914 -0.008 0.000 2.343 688 V HA -0.168 3.956 4.120 0.007 0.000 0.247 688 V C 2.637 178.706 176.094 -0.042 0.000 1.051 688 V CA 1.831 64.116 62.300 -0.025 0.000 1.036 688 V CB -0.979 30.822 31.823 -0.037 0.000 0.654 688 V HN 0.847 nan 8.190 nan 0.000 0.451 689 M N 1.244 120.804 119.600 -0.067 0.000 2.108 689 M HA -0.197 4.287 4.480 0.007 0.000 0.257 689 M C 2.325 178.602 176.300 -0.038 0.000 1.071 689 M CA 2.313 57.570 55.300 -0.072 0.000 1.093 689 M CB -1.040 31.527 32.600 -0.054 0.000 1.345 689 M HN 0.545 nan 8.290 nan 0.000 0.403 690 S N -0.334 115.353 115.700 -0.022 0.000 2.500 690 S HA -0.085 4.390 4.470 0.007 0.000 0.239 690 S C 1.636 176.243 174.600 0.011 0.000 0.989 690 S CA 0.729 58.925 58.200 -0.007 0.000 0.951 690 S CB -0.465 62.730 63.200 -0.009 0.000 0.759 690 S HN 0.565 nan 8.310 nan 0.000 0.523 691 R N 0.178 120.697 120.500 0.033 0.000 2.509 691 R HA 0.469 4.814 4.340 0.007 0.000 0.300 691 R C 1.952 178.350 176.300 0.164 0.000 0.985 691 R CA 0.418 56.558 56.100 0.066 0.000 1.092 691 R CB -0.050 30.274 30.300 0.040 0.000 1.237 691 R HN 0.441 nan 8.270 nan 0.000 0.546 692 A N 1.393 124.276 122.820 0.105 0.000 1.978 692 A HA -0.243 4.082 4.320 0.007 0.000 0.220 692 A C 2.004 179.682 177.584 0.157 0.000 1.170 692 A CA 1.650 53.739 52.037 0.087 0.000 0.636 692 A CB -0.164 18.798 19.000 -0.063 0.000 0.810 692 A HN 0.224 nan 8.150 nan 0.000 0.448 693 E N 0.781 121.040 120.200 0.099 0.000 2.118 693 E HA -0.166 4.188 4.350 0.007 0.000 0.195 693 E C 1.522 178.179 176.600 0.095 0.000 0.992 693 E CA 1.556 58.005 56.400 0.082 0.000 0.804 693 E CB -0.216 29.513 29.700 0.048 0.000 0.741 693 E HN 0.597 nan 8.360 nan 0.000 0.458 694 N N -0.490 118.257 118.700 0.078 0.000 2.512 694 N HA -0.088 4.656 4.740 0.007 0.000 0.183 694 N C 0.871 176.361 175.510 -0.033 0.000 1.073 694 N CA 0.414 53.463 53.050 -0.002 0.000 0.911 694 N CB -0.219 38.219 38.487 -0.082 0.000 0.964 694 N HN 0.211 nan 8.380 nan 0.000 0.447 695 F N 1.418 121.332 119.950 -0.059 0.000 2.546 695 F HA 0.002 4.533 4.527 0.007 0.000 0.298 695 F C 1.970 177.783 175.800 0.022 0.000 1.120 695 F CA 0.683 58.647 58.000 -0.059 0.000 1.456 695 F CB 0.009 38.933 39.000 -0.127 0.000 1.088 695 F HN -0.060 nan 8.300 nan 0.000 0.572 696 K N -0.111 120.394 120.400 0.175 0.000 2.281 696 K HA -0.202 4.123 4.320 0.007 0.000 0.203 696 K C 1.715 178.376 176.600 0.102 0.000 1.046 696 K CA 1.112 57.479 56.287 0.135 0.000 0.938 696 K CB -0.144 32.415 32.500 0.098 0.000 0.737 696 K HN 0.403 nan 8.250 nan 0.000 0.458 697 Q N -0.133 119.706 119.800 0.065 0.000 2.424 697 Q HA 0.011 4.355 4.340 0.007 0.000 0.204 697 Q C 0.290 176.333 176.000 0.072 0.000 0.933 697 Q CA 0.231 56.063 55.803 0.049 0.000 0.929 697 Q CB 0.667 29.413 28.738 0.013 0.000 1.037 697 Q HN 0.141 nan 8.270 nan 0.000 0.511 698 V N -2.895 117.078 119.914 0.097 0.000 3.126 698 V HA 0.485 4.609 4.120 0.007 0.000 0.314 698 V C -1.105 175.136 176.094 0.246 0.000 1.138 698 V CA -1.289 61.096 62.300 0.141 0.000 1.034 698 V CB 2.174 34.042 31.823 0.075 0.000 1.075 698 V HN -0.043 nan 8.190 nan 0.000 0.442 699 E N 1.224 121.603 120.200 0.299 0.000 2.156 699 E HA 0.507 4.861 4.350 0.007 0.000 0.279 699 E C -1.852 175.136 176.600 0.647 0.000 0.965 699 E CA -0.400 56.258 56.400 0.429 0.000 0.789 699 E CB 1.927 31.817 29.700 0.316 0.000 1.098 699 E HN 0.696 nan 8.360 nan 0.000 0.397 700 Y N 3.188 123.758 120.300 0.449 0.000 2.391 700 Y HA 0.473 5.027 4.550 0.006 0.000 0.341 700 Y C -1.780 174.162 175.900 0.070 0.000 0.965 700 Y CA -1.568 56.718 58.100 0.311 0.000 1.067 700 Y CB 1.122 39.805 38.460 0.372 0.000 1.199 700 Y HN 0.447 nan 8.280 nan 0.000 0.450 701 L N 7.800 128.692 121.223 -0.551 0.000 2.333 701 L HA 0.658 5.003 4.340 0.007 0.000 0.280 701 L C -2.151 174.248 176.870 -0.785 0.000 1.004 701 L CA -0.861 53.511 54.840 -0.780 0.000 0.820 701 L CB 1.431 42.742 42.059 -1.246 0.000 1.247 701 L HN 0.626 nan 8.230 nan 0.000 0.416 702 L N 6.862 127.718 121.223 -0.611 0.000 2.343 702 L HA 0.698 5.042 4.340 0.007 0.000 0.278 702 L C -1.451 175.276 176.870 -0.238 0.000 0.996 702 L CA -0.115 54.398 54.840 -0.545 0.000 0.831 702 L CB 1.201 42.892 42.059 -0.612 0.000 1.232 702 L HN 0.575 nan 8.230 nan 0.000 0.413 703 I N 4.586 125.029 120.570 -0.210 0.000 2.509 703 I HA 0.500 4.674 4.170 0.007 0.000 0.293 703 I C -1.006 175.082 176.117 -0.048 0.000 1.020 703 I CA -0.569 60.669 61.300 -0.102 0.000 1.088 703 I CB 1.971 39.886 38.000 -0.142 0.000 1.267 703 I HN 0.693 nan 8.210 nan 0.000 0.430 704 H N 2.507 121.622 119.070 0.076 0.000 3.029 704 H HA 0.486 5.046 4.556 0.007 0.000 0.358 704 H C -0.237 175.309 175.328 0.363 0.000 1.129 704 H CA -0.690 55.453 56.048 0.157 0.000 1.230 704 H CB 1.923 31.734 29.762 0.081 0.000 1.827 704 H HN 0.753 nan 8.280 nan 0.000 0.530 705 G N 1.126 110.282 108.800 0.594 0.000 2.403 705 G HA2 0.168 4.132 3.960 0.007 0.000 0.259 705 G HA3 0.168 4.132 3.960 0.007 0.000 0.259 705 G C 1.164 176.332 174.900 0.447 0.000 1.244 705 G CA 0.195 45.594 45.100 0.499 0.000 0.849 705 G HN 0.750 nan 8.290 nan 0.000 0.532 706 T N -0.519 114.172 114.554 0.228 0.000 2.985 706 T HA 0.101 4.455 4.350 0.007 0.000 0.266 706 T C 1.840 176.506 174.700 -0.057 0.000 1.076 706 T CA 1.227 63.291 62.100 -0.059 0.000 1.135 706 T CB 0.130 68.886 68.868 -0.186 0.000 0.890 706 T HN 0.668 nan 8.240 nan 0.000 0.480 707 A N 1.329 124.192 122.820 0.072 0.000 2.476 707 A HA 0.306 4.631 4.320 0.007 0.000 0.263 707 A C 0.441 178.008 177.584 -0.029 0.000 1.342 707 A CA -0.438 51.639 52.037 0.066 0.000 0.926 707 A CB -0.553 18.710 19.000 0.439 0.000 1.019 707 A HN 0.422 nan 8.150 nan 0.000 0.515 708 D N 1.192 121.577 120.400 -0.026 0.000 2.339 708 D HA 0.023 4.668 4.640 0.007 0.000 0.256 708 D C 0.549 176.816 176.300 -0.056 0.000 1.214 708 D CA -0.020 54.068 54.000 0.147 0.000 0.877 708 D CB 0.749 41.797 40.800 0.412 0.000 1.111 708 D HN 0.539 nan 8.370 nan 0.000 0.478 709 D N 2.196 122.638 120.400 0.070 0.000 2.333 709 D HA -0.097 4.547 4.640 0.007 0.000 0.208 709 D C 0.980 177.298 176.300 0.029 0.000 0.984 709 D CA 0.129 54.127 54.000 -0.003 0.000 0.873 709 D CB 0.239 41.016 40.800 -0.038 0.000 0.935 709 D HN 0.452 nan 8.370 nan 0.000 0.521 710 N N 0.097 118.901 118.700 0.174 0.000 2.335 710 N HA -0.025 4.719 4.740 0.007 0.000 0.197 710 N C -0.154 175.357 175.510 0.001 0.000 1.045 710 N CA 0.194 53.373 53.050 0.213 0.000 0.928 710 N CB 0.721 39.291 38.487 0.139 0.000 1.118 710 N HN -0.180 nan 8.380 nan 0.000 0.471 711 V N 2.438 122.357 119.914 0.008 0.000 2.320 711 V HA 0.184 4.309 4.120 0.007 0.000 0.265 711 V C -0.856 175.345 176.094 0.179 0.000 1.048 711 V CA -0.305 62.036 62.300 0.068 0.000 0.865 711 V CB -0.051 31.860 31.823 0.146 0.000 1.043 711 V HN 0.336 nan 8.190 nan 0.000 0.474 712 H N 3.453 122.519 119.070 -0.008 0.000 2.897 712 H HA 0.010 4.570 4.556 0.007 0.000 0.347 712 H C 0.802 175.983 175.328 -0.245 0.000 1.068 712 H CA -0.169 55.778 56.048 -0.168 0.000 1.426 712 H CB 0.838 30.424 29.762 -0.294 0.000 1.410 712 H HN 0.644 nan 8.280 nan 0.000 0.597 713 F N 2.123 121.831 119.950 -0.403 0.000 2.236 713 F HA -0.306 4.225 4.527 0.006 0.000 0.302 713 F C 2.551 178.108 175.800 -0.406 0.000 1.073 713 F CA 1.631 59.215 58.000 -0.693 0.000 1.336 713 F CB -0.162 38.580 39.000 -0.430 0.000 1.040 713 F HN 0.668 nan 8.300 nan 0.000 0.507 714 Q N 0.203 119.901 119.800 -0.170 0.000 2.103 714 Q HA -0.353 3.992 4.340 0.007 0.000 0.213 714 Q C 2.161 177.937 176.000 -0.373 0.000 1.008 714 Q CA 2.671 58.302 55.803 -0.286 0.000 0.879 714 Q CB -0.350 28.167 28.738 -0.368 0.000 0.946 714 Q HN 0.594 nan 8.270 nan 0.000 0.413 715 Q N -0.551 119.083 119.800 -0.276 0.000 2.050 715 Q HA -0.119 4.225 4.340 0.007 0.000 0.202 715 Q C 2.249 178.180 176.000 -0.116 0.000 0.980 715 Q CA 1.683 57.444 55.803 -0.070 0.000 0.840 715 Q CB -0.125 28.643 28.738 0.051 0.000 0.898 715 Q HN 0.313 nan 8.270 nan 0.000 0.424 716 S N 0.636 116.185 115.700 -0.253 0.000 2.453 716 S HA 0.008 4.483 4.470 0.007 0.000 0.231 716 S C 1.954 176.305 174.600 -0.415 0.000 1.005 716 S CA 0.672 58.695 58.200 -0.296 0.000 0.949 716 S CB -0.025 63.010 63.200 -0.275 0.000 0.774 716 S HN 0.450 nan 8.310 nan 0.000 0.510 717 A N 1.095 123.597 122.820 -0.531 0.000 1.969 717 A HA -0.060 4.264 4.320 0.007 0.000 0.218 717 A C 2.108 179.597 177.584 -0.158 0.000 1.169 717 A CA 0.887 52.726 52.037 -0.331 0.000 0.635 717 A CB -0.236 18.643 19.000 -0.203 0.000 0.810 717 A HN 0.366 nan 8.150 nan 0.000 0.445 718 Q N -0.502 119.217 119.800 -0.135 0.000 2.212 718 Q HA 0.083 4.427 4.340 0.007 0.000 0.199 718 Q C 2.079 178.034 176.000 -0.076 0.000 0.950 718 Q CA 0.665 56.440 55.803 -0.046 0.000 0.863 718 Q CB -0.184 28.601 28.738 0.078 0.000 0.944 718 Q HN 0.755 nan 8.270 nan 0.000 0.465 719 I N 1.350 121.847 120.570 -0.122 0.000 2.142 719 I HA -0.296 3.879 4.170 0.007 0.000 0.240 719 I C 2.617 178.569 176.117 -0.275 0.000 1.078 719 I CA 1.684 62.862 61.300 -0.202 0.000 1.343 719 I CB -0.595 37.287 38.000 -0.196 0.000 1.046 719 I HN 0.189 nan 8.210 nan 0.000 0.405 720 S N 0.911 116.479 115.700 -0.221 0.000 2.368 720 S HA -0.261 4.214 4.470 0.007 0.000 0.225 720 S C 2.044 176.634 174.600 -0.017 0.000 1.030 720 S CA 1.373 59.488 58.200 -0.141 0.000 0.999 720 S CB -0.461 62.815 63.200 0.125 0.000 0.844 720 S HN 0.336 nan 8.310 nan 0.000 0.459 721 K N 1.668 122.055 120.400 -0.022 0.000 2.074 721 K HA -0.075 4.250 4.320 0.007 0.000 0.209 721 K C 2.256 178.846 176.600 -0.017 0.000 1.048 721 K CA 1.382 57.671 56.287 0.002 0.000 0.926 721 K CB -0.686 31.811 32.500 -0.005 0.000 0.713 721 K HN 0.499 nan 8.250 nan 0.000 0.444 722 A N 0.759 123.536 122.820 -0.071 0.000 1.897 722 A HA -0.078 4.247 4.320 0.007 0.000 0.215 722 A C 2.081 179.611 177.584 -0.089 0.000 1.181 722 A CA 1.201 53.191 52.037 -0.079 0.000 0.620 722 A CB -0.573 18.362 19.000 -0.109 0.000 0.821 722 A HN 0.293 nan 8.150 nan 0.000 0.443 723 L N -0.489 120.626 121.223 -0.180 0.000 2.042 723 L HA -0.180 4.165 4.340 0.007 0.000 0.210 723 L C 2.527 179.435 176.870 0.064 0.000 1.076 723 L CA 1.136 55.888 54.840 -0.147 0.000 0.749 723 L CB -0.779 41.001 42.059 -0.466 0.000 0.893 723 L HN 0.234 nan 8.230 nan 0.000 0.432 724 V N 0.074 120.058 119.914 0.117 0.000 2.255 724 V HA -0.311 3.813 4.120 0.007 0.000 0.247 724 V C 2.150 178.288 176.094 0.074 0.000 1.051 724 V CA 2.099 64.481 62.300 0.137 0.000 1.018 724 V CB -0.539 31.364 31.823 0.134 0.000 0.641 724 V HN 0.454 nan 8.190 nan 0.000 0.445 725 D N 0.293 120.717 120.400 0.041 0.000 2.182 725 D HA -0.122 4.523 4.640 0.007 0.000 0.201 725 D C 1.772 178.091 176.300 0.032 0.000 0.986 725 D CA 1.774 55.792 54.000 0.030 0.000 0.847 725 D CB -0.227 40.583 40.800 0.016 0.000 0.942 725 D HN 0.571 nan 8.370 nan 0.000 0.467 726 V N -3.378 116.556 119.914 0.033 0.000 3.596 726 V HA 0.487 4.612 4.120 0.007 0.000 0.289 726 V C 1.137 177.268 176.094 0.061 0.000 1.336 726 V CA 0.256 62.581 62.300 0.041 0.000 1.137 726 V CB -0.230 31.615 31.823 0.036 0.000 0.966 726 V HN 0.151 nan 8.190 nan 0.000 0.428 727 G N 0.588 109.433 108.800 0.075 0.000 2.324 727 G HA2 -0.171 3.794 3.960 0.007 0.000 0.292 727 G HA3 -0.171 3.794 3.960 0.007 0.000 0.292 727 G C -0.187 174.783 174.900 0.117 0.000 1.079 727 G CA 0.257 45.411 45.100 0.089 0.000 1.026 727 G HN 0.869 nan 8.290 nan 0.000 0.506 728 V N 0.563 120.575 119.914 0.164 0.000 2.370 728 V HA 0.404 4.529 4.120 0.007 0.000 0.279 728 V C 0.450 176.738 176.094 0.324 0.000 1.029 728 V CA -0.552 61.879 62.300 0.218 0.000 0.870 728 V CB 1.742 33.689 31.823 0.208 0.000 0.984 728 V HN 0.510 nan 8.190 nan 0.000 0.451 729 D N 4.417 124.961 120.400 0.241 0.000 2.350 729 D HA 0.515 5.159 4.640 0.007 0.000 0.249 729 D C -0.516 175.982 176.300 0.330 0.000 1.119 729 D CA 0.228 54.342 54.000 0.188 0.000 0.886 729 D CB 0.524 41.384 40.800 0.099 0.000 1.195 729 D HN 0.374 nan 8.370 nan 0.000 0.437 730 F N 0.125 120.145 119.950 0.116 0.000 2.745 730 F HA 0.505 5.035 4.527 0.006 0.000 0.316 730 F C -1.242 174.601 175.800 0.071 0.000 1.155 730 F CA -1.143 56.943 58.000 0.144 0.000 0.937 730 F CB 0.867 39.979 39.000 0.186 0.000 1.361 730 F HN 0.113 nan 8.300 nan 0.000 0.472 731 Q N 1.311 121.177 119.800 0.110 0.000 2.248 731 Q HA 0.831 5.175 4.340 0.007 0.000 0.263 731 Q C -1.024 174.962 176.000 -0.023 0.000 1.007 731 Q CA -1.137 54.635 55.803 -0.052 0.000 0.877 731 Q CB 2.335 31.059 28.738 -0.024 0.000 1.315 731 Q HN 1.031 nan 8.270 nan 0.000 0.454 732 A N 1.290 124.067 122.820 -0.072 0.000 2.594 732 A HA 0.831 5.156 4.320 0.007 0.000 0.291 732 A C -1.466 176.055 177.584 -0.105 0.000 1.105 732 A CA -0.579 51.444 52.037 -0.024 0.000 0.694 732 A CB 2.137 21.195 19.000 0.097 0.000 1.291 732 A HN 0.630 nan 8.150 nan 0.000 0.410 733 M N 1.026 120.554 119.600 -0.120 0.000 2.294 733 M HA 0.592 5.077 4.480 0.007 0.000 0.280 733 M C -2.082 174.114 176.300 -0.173 0.000 1.085 733 M CA -0.561 54.532 55.300 -0.344 0.000 0.969 733 M CB 1.249 33.553 32.600 -0.494 0.000 1.770 733 M HN 0.996 nan 8.290 nan 0.000 0.485 734 W N 4.247 125.391 121.300 -0.260 0.000 2.578 734 W HA 0.782 5.445 4.660 0.005 0.000 0.346 734 W C -2.066 174.214 176.519 -0.400 0.000 1.075 734 W CA -0.875 56.400 57.345 -0.117 0.000 1.233 734 W CB 0.416 29.868 29.460 -0.013 0.000 1.358 734 W HN 0.607 nan 8.180 nan 0.000 0.574 735 Y N 2.284 122.748 120.300 0.274 0.000 2.388 735 Y HA 0.315 4.871 4.550 0.009 0.000 0.328 735 Y C 0.442 176.476 175.900 0.224 0.000 0.963 735 Y CA -1.074 57.106 58.100 0.133 0.000 1.240 735 Y CB 1.493 39.992 38.460 0.065 0.000 1.118 735 Y HN 0.416 nan 8.280 nan 0.000 0.484 736 T N 4.757 119.502 114.554 0.318 0.000 2.793 736 T HA 0.015 4.369 4.350 0.007 0.000 0.289 736 T C 0.103 174.881 174.700 0.131 0.000 0.956 736 T CA 0.456 62.686 62.100 0.216 0.000 1.177 736 T CB -0.133 68.808 68.868 0.122 0.000 0.897 736 T HN 0.702 nan 8.240 nan 0.000 0.533 737 D N 0.867 121.316 120.400 0.082 0.000 3.077 737 D HA -0.119 4.525 4.640 0.007 0.000 0.212 737 D C 0.277 176.694 176.300 0.194 0.000 1.125 737 D CA 1.053 55.036 54.000 -0.027 0.000 0.970 737 D CB -0.381 40.224 40.800 -0.326 0.000 1.110 737 D HN 0.579 nan 8.370 nan 0.000 0.419 738 E N 0.953 121.293 120.200 0.234 0.000 2.319 738 E HA 0.339 4.693 4.350 0.007 0.000 0.268 738 E C 0.704 177.482 176.600 0.295 0.000 1.050 738 E CA -0.278 56.280 56.400 0.263 0.000 0.878 738 E CB 1.323 31.173 29.700 0.249 0.000 1.066 738 E HN 0.334 nan 8.360 nan 0.000 0.406 739 D N -0.652 119.932 120.400 0.306 0.000 2.560 739 D HA 0.007 4.651 4.640 0.007 0.000 0.277 739 D C 1.022 177.548 176.300 0.376 0.000 1.194 739 D CA -0.308 53.898 54.000 0.344 0.000 1.092 739 D CB -0.103 40.922 40.800 0.375 0.000 1.169 739 D HN 0.409 nan 8.370 nan 0.000 0.607 740 H N -1.453 117.799 119.070 0.303 0.000 2.457 740 H HA 0.056 4.617 4.556 0.007 0.000 0.297 740 H C 1.874 177.432 175.328 0.383 0.000 1.092 740 H CA 2.246 58.492 56.048 0.329 0.000 1.309 740 H CB -0.364 29.573 29.762 0.291 0.000 1.382 740 H HN 0.505 nan 8.280 nan 0.000 0.535 741 G N -0.275 108.680 108.800 0.259 0.000 2.551 741 G HA2 -0.012 3.952 3.960 0.007 0.000 0.216 741 G HA3 -0.012 3.952 3.960 0.007 0.000 0.216 741 G C 0.686 175.729 174.900 0.237 0.000 1.137 741 G CA 0.307 45.478 45.100 0.118 0.000 0.798 741 G HN 0.524 nan 8.290 nan 0.000 0.536 742 I N 0.165 120.909 120.570 0.290 0.000 5.115 742 I HA -0.330 3.845 4.170 0.007 0.000 0.126 742 I C 1.621 177.843 176.117 0.175 0.000 1.316 742 I CA 0.111 61.537 61.300 0.210 0.000 2.641 742 I CB -1.166 36.920 38.000 0.144 0.000 2.272 742 I HN 0.257 nan 8.210 nan 0.000 0.321 743 A N 1.161 124.062 122.820 0.135 0.000 2.308 743 A HA 0.232 4.556 4.320 0.007 0.000 0.217 743 A C 1.208 178.828 177.584 0.060 0.000 1.216 743 A CA 0.622 52.701 52.037 0.070 0.000 0.864 743 A CB 0.105 19.125 19.000 0.034 0.000 0.902 743 A HN 0.652 nan 8.150 nan 0.000 0.499 744 S N -0.589 115.166 115.700 0.092 0.000 2.564 744 S HA 0.229 4.703 4.470 0.007 0.000 0.278 744 S C 1.121 175.776 174.600 0.092 0.000 1.333 744 S CA 0.334 58.585 58.200 0.084 0.000 1.048 744 S CB 1.131 64.388 63.200 0.095 0.000 0.900 744 S HN 0.300 nan 8.310 nan 0.000 0.505 745 S N 2.346 118.088 115.700 0.070 0.000 2.412 745 S HA -0.256 4.219 4.470 0.007 0.000 0.246 745 S C 2.219 176.881 174.600 0.103 0.000 1.073 745 S CA 2.696 60.941 58.200 0.076 0.000 1.186 745 S CB -1.418 61.811 63.200 0.048 0.000 1.084 745 S HN 1.084 nan 8.310 nan 0.000 0.434 746 T N -0.294 114.311 114.554 0.084 0.000 2.812 746 T HA 0.174 4.528 4.350 0.007 0.000 0.264 746 T C 1.915 176.677 174.700 0.104 0.000 1.042 746 T CA 1.415 63.566 62.100 0.086 0.000 1.140 746 T CB -0.834 68.076 68.868 0.069 0.000 0.870 746 T HN 0.429 nan 8.240 nan 0.000 0.445 747 A N 1.808 124.676 122.820 0.079 0.000 1.883 747 A HA -0.196 4.128 4.320 0.007 0.000 0.217 747 A C 2.256 179.822 177.584 -0.031 0.000 1.186 747 A CA 2.375 54.408 52.037 -0.006 0.000 0.624 747 A CB -1.468 17.511 19.000 -0.034 0.000 0.822 747 A HN 0.789 nan 8.150 nan 0.000 0.444 748 H N -0.260 118.801 119.070 -0.015 0.000 2.319 748 H HA -0.139 4.422 4.556 0.008 0.000 0.299 748 H C 2.100 177.487 175.328 0.099 0.000 1.092 748 H CA 2.343 58.427 56.048 0.060 0.000 1.302 748 H CB -0.246 29.549 29.762 0.054 0.000 1.373 748 H HN 0.611 nan 8.280 nan 0.000 0.497 749 Q N -1.100 118.679 119.800 -0.035 0.000 2.167 749 Q HA -0.155 4.190 4.340 0.007 0.000 0.202 749 Q C 2.166 178.149 176.000 -0.030 0.000 0.970 749 Q CA 1.113 56.858 55.803 -0.096 0.000 0.855 749 Q CB -0.128 28.595 28.738 -0.025 0.000 0.911 749 Q HN 0.643 nan 8.270 nan 0.000 0.438 750 H N 0.756 119.802 119.070 -0.040 0.000 2.293 750 H HA -0.108 4.453 4.556 0.007 0.000 0.300 750 H C 2.100 177.428 175.328 0.001 0.000 1.082 750 H CA 1.540 57.602 56.048 0.024 0.000 1.308 750 H CB -0.001 29.844 29.762 0.139 0.000 1.375 750 H HN 0.275 nan 8.280 nan 0.000 0.495 751 I N 0.114 120.647 120.570 -0.062 0.000 2.202 751 I HA -0.326 3.849 4.170 0.007 0.000 0.242 751 I C 1.897 177.798 176.117 -0.361 0.000 1.091 751 I CA 1.270 62.446 61.300 -0.207 0.000 1.368 751 I CB -0.305 37.394 38.000 -0.501 0.000 1.058 751 I HN 0.184 nan 8.210 nan 0.000 0.410 752 Y N 0.879 120.978 120.300 -0.336 0.000 2.274 752 Y HA -0.250 4.305 4.550 0.008 0.000 0.290 752 Y C 2.681 178.383 175.900 -0.330 0.000 1.145 752 Y CA 2.020 59.820 58.100 -0.500 0.000 1.203 752 Y CB -0.568 37.611 38.460 -0.468 0.000 0.984 752 Y HN 0.189 nan 8.280 nan 0.000 0.533 753 T N -1.958 112.515 114.554 -0.134 0.000 2.812 753 T HA -0.202 4.153 4.350 0.007 0.000 0.264 753 T C 1.478 176.034 174.700 -0.239 0.000 1.042 753 T CA 1.654 63.629 62.100 -0.209 0.000 1.140 753 T CB -0.415 68.330 68.868 -0.206 0.000 0.870 753 T HN 0.401 nan 8.240 nan 0.000 0.445 754 H N 0.917 119.851 119.070 -0.226 0.000 2.353 754 H HA 0.108 4.668 4.556 0.007 0.000 0.300 754 H C 2.147 177.457 175.328 -0.029 0.000 1.090 754 H CA 1.506 57.496 56.048 -0.098 0.000 1.327 754 H CB -0.195 29.508 29.762 -0.098 0.000 1.383 754 H HN 0.252 nan 8.280 nan 0.000 0.508 755 M N -1.018 118.540 119.600 -0.069 0.000 2.200 755 M HA -0.133 4.351 4.480 0.007 0.000 0.265 755 M C 2.393 178.812 176.300 0.198 0.000 1.066 755 M CA 1.291 56.568 55.300 -0.039 0.000 1.127 755 M CB 0.036 32.381 32.600 -0.425 0.000 1.379 755 M HN 0.181 nan 8.290 nan 0.000 0.420 756 S N -0.374 115.449 115.700 0.204 0.000 2.370 756 S HA -0.177 4.298 4.470 0.007 0.000 0.226 756 S C 1.578 176.273 174.600 0.159 0.000 1.033 756 S CA 1.362 59.754 58.200 0.320 0.000 1.011 756 S CB -0.635 62.745 63.200 0.299 0.000 0.852 756 S HN 0.557 nan 8.310 nan 0.000 0.457 757 H N -0.553 118.571 119.070 0.090 0.000 2.293 757 H HA -0.078 4.482 4.556 0.008 0.000 0.300 757 H C 1.986 177.315 175.328 0.003 0.000 1.082 757 H CA 1.640 57.693 56.048 0.009 0.000 1.308 757 H CB -0.255 29.456 29.762 -0.086 0.000 1.375 757 H HN 0.346 nan 8.280 nan 0.000 0.495 758 F N 1.253 121.191 119.950 -0.019 0.000 2.091 758 F HA -0.270 4.261 4.527 0.006 0.000 0.299 758 F C 2.107 177.872 175.800 -0.059 0.000 1.103 758 F CA 1.220 59.187 58.000 -0.055 0.000 1.228 758 F CB -0.263 38.697 39.000 -0.068 0.000 0.984 758 F HN 0.073 nan 8.300 nan 0.000 0.477 759 I N 0.488 121.073 120.570 0.024 0.000 2.202 759 I HA -0.276 3.898 4.170 0.007 0.000 0.242 759 I C 2.288 178.244 176.117 -0.269 0.000 1.091 759 I CA 1.509 62.668 61.300 -0.236 0.000 1.368 759 I CB -1.360 36.586 38.000 -0.091 0.000 1.058 759 I HN 0.198 nan 8.210 nan 0.000 0.410 760 K N 0.242 120.617 120.400 -0.040 0.000 2.113 760 K HA -0.262 4.062 4.320 0.007 0.000 0.208 760 K C 2.105 178.698 176.600 -0.012 0.000 1.047 760 K CA 1.550 57.857 56.287 0.034 0.000 0.928 760 K CB -0.175 32.392 32.500 0.112 0.000 0.716 760 K HN 0.363 nan 8.250 nan 0.000 0.446 761 Q N 0.416 120.161 119.800 -0.091 0.000 2.049 761 Q HA -0.171 4.174 4.340 0.007 0.000 0.198 761 Q C 2.304 178.198 176.000 -0.176 0.000 0.971 761 Q CA 1.514 57.244 55.803 -0.121 0.000 0.833 761 Q CB -0.176 28.475 28.738 -0.145 0.000 0.896 761 Q HN 0.423 nan 8.270 nan 0.000 0.434 762 c N -0.001 118.378 118.600 -0.368 0.000 2.413 762 c HA -0.114 4.461 4.570 0.007 0.000 0.277 762 c C 1.841 175.913 174.090 -0.029 0.000 1.265 762 c CA 0.564 56.683 56.329 -0.351 0.000 1.752 762 c CB -1.136 40.984 42.510 -0.649 0.000 1.998 762 c HN 0.610 nan 8.230 nan 0.000 0.489 763 F N 1.533 121.442 119.950 -0.068 0.000 2.732 763 F HA 0.247 4.778 4.527 0.008 0.000 0.303 763 F C 1.663 177.449 175.800 -0.023 0.000 1.110 763 F CA 0.409 58.392 58.000 -0.028 0.000 1.355 763 F CB -1.254 37.739 39.000 -0.011 0.000 1.081 763 F HN 0.200 nan 8.300 nan 0.000 0.565 764 S N 0.773 116.551 115.700 0.131 0.000 3.641 764 S HA -0.203 4.271 4.470 0.007 0.000 0.346 764 S C 0.020 174.662 174.600 0.070 0.000 1.074 764 S CA 0.152 58.394 58.200 0.070 0.000 1.026 764 S CB -1.981 61.251 63.200 0.052 0.000 0.908 764 S HN 0.245 nan 8.310 nan 0.000 0.479 765 L N 1.949 123.225 121.223 0.089 0.000 2.282 765 L HA 0.497 4.842 4.340 0.007 0.000 0.288 765 L C -1.191 175.720 176.870 0.069 0.000 1.033 765 L CA -1.948 52.942 54.840 0.082 0.000 0.807 765 L CB 0.693 42.818 42.059 0.110 0.000 1.209 765 L HN 0.041 nan 8.230 nan 0.000 0.423 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.133 63.100 0.054 0.000 0.800 766 P CB 0.000 31.725 31.700 0.041 0.000 0.726