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 3ccc_1_B 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 0.000 176.668 176.600 0.114 0.000 0.988 41 K CA 0.000 56.348 56.287 0.101 0.000 0.838 41 K CB 0.000 32.565 32.500 0.108 0.000 1.064 42 T N -2.241 112.390 114.554 0.128 0.000 2.910 42 T HA 0.361 4.713 4.350 0.004 0.000 0.287 42 T C -1.095 173.722 174.700 0.196 0.000 1.050 42 T CA -0.744 61.444 62.100 0.148 0.000 1.011 42 T CB 0.882 69.838 68.868 0.148 0.000 1.195 42 T HN 0.536 nan 8.240 nan 0.000 0.540 43 Y N 2.899 123.244 120.300 0.075 0.000 2.600 43 Y HA 0.371 4.923 4.550 0.004 0.000 0.351 43 Y C 0.974 177.011 175.900 0.229 0.000 1.042 43 Y CA -0.464 57.702 58.100 0.110 0.000 1.333 43 Y CB -0.538 37.940 38.460 0.030 0.000 1.172 43 Y HN 0.962 nan 8.280 nan 0.000 0.517 44 T N 1.968 116.522 114.554 0.001 0.000 2.828 44 T HA 0.060 4.412 4.350 0.004 0.000 0.290 44 T C 1.174 175.728 174.700 -0.244 0.000 1.019 44 T CA -0.702 61.403 62.100 0.008 0.000 1.031 44 T CB 1.134 69.992 68.868 -0.016 0.000 1.001 44 T HN 0.676 nan 8.240 nan 0.000 0.531 45 L N 1.488 122.380 121.223 -0.553 0.000 2.081 45 L HA -0.068 4.274 4.340 0.004 0.000 0.212 45 L C 2.611 179.301 176.870 -0.299 0.000 1.080 45 L CA 2.195 56.589 54.840 -0.744 0.000 0.754 45 L CB -1.527 40.025 42.059 -0.846 0.000 0.893 45 L HN 0.976 nan 8.230 nan 0.000 0.433 46 T N -0.685 113.733 114.554 -0.226 0.000 2.759 46 T HA -0.173 4.179 4.350 0.004 0.000 0.269 46 T C 1.478 176.080 174.700 -0.164 0.000 1.042 46 T CA 1.418 63.425 62.100 -0.156 0.000 1.140 46 T CB -0.414 68.390 68.868 -0.106 0.000 0.864 46 T HN 0.402 nan 8.240 nan 0.000 0.455 47 D N 0.212 120.477 120.400 -0.224 0.000 2.106 47 D HA -0.111 4.532 4.640 0.004 0.000 0.191 47 D C 1.735 177.914 176.300 -0.201 0.000 0.997 47 D CA 1.134 54.977 54.000 -0.262 0.000 0.834 47 D CB -0.540 39.962 40.800 -0.497 0.000 0.956 47 D HN 0.417 nan 8.370 nan 0.000 0.448 48 Y N 1.508 121.568 120.300 -0.400 0.000 2.097 48 Y HA -0.172 4.380 4.550 0.003 0.000 0.282 48 Y C 2.235 178.129 175.900 -0.009 0.000 1.152 48 Y CA 1.368 59.441 58.100 -0.045 0.000 1.136 48 Y CB -0.707 37.786 38.460 0.056 0.000 0.975 48 Y HN -0.068 nan 8.280 nan 0.000 0.498 49 L N -0.250 120.777 121.223 -0.327 0.000 2.017 49 L HA -0.186 4.156 4.340 0.004 0.000 0.208 49 L C 1.514 178.265 176.870 -0.199 0.000 1.073 49 L CA 1.764 56.377 54.840 -0.377 0.000 0.745 49 L CB -0.447 41.455 42.059 -0.262 0.000 0.894 49 L HN 0.018 nan 8.230 nan 0.000 0.432 50 K N 0.435 120.754 120.400 -0.136 0.000 2.675 50 K HA 0.147 4.469 4.320 0.004 0.000 0.213 50 K C -0.463 176.095 176.600 -0.070 0.000 1.074 50 K CA -0.181 56.053 56.287 -0.088 0.000 1.172 50 K CB -0.437 32.017 32.500 -0.076 0.000 0.927 50 K HN 0.152 nan 8.250 nan 0.000 0.471 51 N N 0.166 118.837 118.700 -0.049 0.000 2.726 51 N HA -0.227 4.515 4.740 0.004 0.000 0.287 51 N C -0.005 175.493 175.510 -0.020 0.000 1.052 51 N CA 0.723 53.783 53.050 0.017 0.000 0.805 51 N CB -0.394 38.105 38.487 0.019 0.000 0.944 51 N HN 0.247 nan 8.380 nan 0.000 0.574 52 T N -0.792 113.722 114.554 -0.066 0.000 2.985 52 T HA -0.111 4.241 4.350 0.004 0.000 0.266 52 T C 0.107 174.510 174.700 -0.494 0.000 1.076 52 T CA 1.151 63.066 62.100 -0.309 0.000 1.135 52 T CB -0.008 68.594 68.868 -0.443 0.000 0.890 52 T HN 0.380 nan 8.240 nan 0.000 0.480 53 Y N 1.304 121.698 120.300 0.158 0.000 2.447 53 Y HA 0.482 5.035 4.550 0.004 0.000 0.325 53 Y C 0.268 176.273 175.900 0.176 0.000 0.976 53 Y CA -1.192 57.022 58.100 0.189 0.000 1.280 53 Y CB 0.768 39.399 38.460 0.286 0.000 1.104 53 Y HN -0.227 nan 8.280 nan 0.000 0.486 54 R N 3.349 123.978 120.500 0.214 0.000 2.254 54 R HA 0.450 4.792 4.340 0.004 0.000 0.318 54 R C -0.827 175.578 176.300 0.174 0.000 1.031 54 R CA -0.728 55.470 56.100 0.163 0.000 0.905 54 R CB 1.030 31.385 30.300 0.091 0.000 1.050 54 R HN 0.646 nan 8.270 nan 0.000 0.456 55 L N 4.063 125.392 121.223 0.177 0.000 2.385 55 L HA 0.156 4.499 4.340 0.004 0.000 0.281 55 L C 0.415 177.360 176.870 0.125 0.000 1.106 55 L CA -0.232 54.714 54.840 0.176 0.000 0.856 55 L CB 0.210 42.390 42.059 0.200 0.000 1.186 55 L HN 0.259 nan 8.230 nan 0.000 0.453 56 K N 2.919 123.382 120.400 0.104 0.000 2.368 56 K HA 0.349 4.671 4.320 0.004 0.000 0.282 56 K C -0.523 176.072 176.600 -0.008 0.000 1.035 56 K CA -0.214 56.103 56.287 0.051 0.000 0.973 56 K CB 0.570 33.101 32.500 0.051 0.000 0.957 56 K HN 0.248 nan 8.250 nan 0.000 0.474 57 L N 3.617 124.786 121.223 -0.089 0.000 2.416 57 L HA 0.390 4.732 4.340 0.004 0.000 0.263 57 L C -0.745 175.871 176.870 -0.424 0.000 1.065 57 L CA -0.298 54.351 54.840 -0.319 0.000 0.798 57 L CB 0.652 42.633 42.059 -0.129 0.000 1.267 57 L HN 0.593 nan 8.230 nan 0.000 0.467 58 Y N 0.404 120.136 120.300 -0.948 0.000 2.535 58 Y HA 0.339 4.891 4.550 0.004 0.000 0.351 58 Y C -0.035 175.750 175.900 -0.192 0.000 1.050 58 Y CA -0.426 57.428 58.100 -0.411 0.000 1.168 58 Y CB 1.066 39.216 38.460 -0.518 0.000 1.116 58 Y HN 0.522 nan 8.280 nan 0.000 0.654 59 S N 4.309 119.958 115.700 -0.085 0.000 2.488 59 S HA 0.554 5.026 4.470 0.004 0.000 0.278 59 S C -0.682 173.890 174.600 -0.046 0.000 1.259 59 S CA -0.359 57.824 58.200 -0.028 0.000 1.061 59 S CB -0.407 62.756 63.200 -0.063 0.000 0.910 59 S HN 0.564 nan 8.310 nan 0.000 0.491 60 L N 3.859 125.052 121.223 -0.049 0.000 2.370 60 L HA 0.791 5.133 4.340 0.004 0.000 0.266 60 L C -0.522 176.286 176.870 -0.105 0.000 1.002 60 L CA -0.896 53.864 54.840 -0.133 0.000 0.818 60 L CB 1.759 43.491 42.059 -0.545 0.000 1.325 60 L HN 0.621 nan 8.230 nan 0.000 0.418 61 R N 1.144 121.635 120.500 -0.015 0.000 2.371 61 R HA 0.387 4.729 4.340 0.004 0.000 0.312 61 R C -1.708 174.675 176.300 0.137 0.000 0.980 61 R CA -0.514 55.633 56.100 0.078 0.000 0.867 61 R CB 0.230 30.602 30.300 0.120 0.000 1.163 61 R HN 0.765 nan 8.270 nan 0.000 0.492 62 W N 3.216 124.632 121.300 0.192 0.000 2.347 62 W HA -0.012 4.650 4.660 0.004 0.000 0.333 62 W C 1.301 177.914 176.519 0.157 0.000 1.383 62 W CA -0.344 57.127 57.345 0.209 0.000 1.283 62 W CB 0.362 29.937 29.460 0.192 0.000 1.253 62 W HN 0.624 nan 8.180 nan 0.000 0.563 63 I N 2.775 123.569 120.570 0.373 0.000 3.035 63 I HA -0.025 4.147 4.170 0.004 0.000 0.271 63 I C 1.178 177.402 176.117 0.179 0.000 1.190 63 I CA 1.033 62.451 61.300 0.197 0.000 1.472 63 I CB -0.218 37.814 38.000 0.053 0.000 1.116 63 I HN 0.310 nan 8.210 nan 0.000 0.443 64 S N -1.979 113.863 115.700 0.238 0.000 3.121 64 S HA 0.316 4.788 4.470 0.004 0.000 0.324 64 S C 0.505 175.179 174.600 0.123 0.000 1.192 64 S CA -0.091 58.186 58.200 0.129 0.000 0.937 64 S CB 0.567 63.800 63.200 0.056 0.000 1.336 64 S HN 0.028 nan 8.310 nan 0.000 0.664 65 D N -0.733 119.649 120.400 -0.030 0.000 2.289 65 D HA 0.110 4.753 4.640 0.004 0.000 0.207 65 D C 1.303 177.712 176.300 0.181 0.000 0.966 65 D CA 1.143 55.120 54.000 -0.039 0.000 0.868 65 D CB -0.057 40.657 40.800 -0.143 0.000 0.943 65 D HN 0.555 nan 8.370 nan 0.000 0.514 66 H N -0.448 118.765 119.070 0.238 0.000 2.516 66 H HA 0.377 4.935 4.556 0.004 0.000 0.284 66 H C 0.242 175.707 175.328 0.229 0.000 0.999 66 H CA 0.353 56.545 56.048 0.240 0.000 1.303 66 H CB 0.328 30.197 29.762 0.178 0.000 1.452 66 H HN 0.191 nan 8.280 nan 0.000 0.530 67 E N 0.144 120.588 120.200 0.407 0.000 2.299 67 E HA 0.417 4.770 4.350 0.004 0.000 0.265 67 E C -1.235 175.630 176.600 0.442 0.000 0.911 67 E CA -0.988 55.594 56.400 0.303 0.000 0.789 67 E CB 2.694 32.483 29.700 0.149 0.000 1.246 67 E HN 0.150 nan 8.360 nan 0.000 0.427 68 Y N -0.854 119.527 120.300 0.136 0.000 2.562 68 Y HA 0.615 5.168 4.550 0.004 0.000 0.345 68 Y C -1.686 174.222 175.900 0.015 0.000 1.045 68 Y CA -1.351 56.727 58.100 -0.037 0.000 1.028 68 Y CB 0.763 38.861 38.460 -0.604 0.000 1.297 68 Y HN 0.338 nan 8.280 nan 0.000 0.463 69 L N 3.651 125.011 121.223 0.228 0.000 2.325 69 L HA 0.472 4.815 4.340 0.004 0.000 0.279 69 L C -1.165 175.918 176.870 0.355 0.000 1.054 69 L CA -0.829 54.123 54.840 0.186 0.000 0.804 69 L CB 1.289 43.399 42.059 0.085 0.000 1.200 69 L HN 0.795 nan 8.230 nan 0.000 0.436 70 Y N 2.379 122.786 120.300 0.177 0.000 2.492 70 Y HA 0.296 4.848 4.550 0.004 0.000 0.346 70 Y C -0.460 175.477 175.900 0.062 0.000 0.997 70 Y CA -1.152 56.999 58.100 0.086 0.000 1.025 70 Y CB 1.746 40.232 38.460 0.043 0.000 1.263 70 Y HN 0.402 nan 8.280 nan 0.000 0.454 71 K N 5.791 125.810 120.400 -0.635 0.000 2.229 71 K HA 0.177 4.499 4.320 0.004 0.000 0.247 71 K C -0.158 176.161 176.600 -0.467 0.000 1.117 71 K CA -0.306 55.741 56.287 -0.401 0.000 1.036 71 K CB 0.331 32.678 32.500 -0.256 0.000 1.654 71 K HN 0.802 nan 8.250 nan 0.000 0.405 76 I N 2.098 122.646 120.570 -0.038 0.000 2.389 76 I HA 0.390 4.562 4.170 0.004 0.000 0.288 76 I C -0.517 175.645 176.117 0.074 0.000 0.999 76 I CA -0.616 60.665 61.300 -0.032 0.000 1.129 76 I CB 1.380 39.287 38.000 -0.155 0.000 1.288 76 I HN 0.182 nan 8.210 nan 0.000 0.444 77 L N 6.716 128.015 121.223 0.127 0.000 2.334 77 L HA 0.572 4.914 4.340 0.004 0.000 0.272 77 L C -0.283 176.637 176.870 0.084 0.000 1.020 77 L CA -0.917 53.977 54.840 0.091 0.000 0.812 77 L CB 2.128 44.222 42.059 0.058 0.000 1.264 77 L HN 0.195 nan 8.230 nan 0.000 0.439 78 V N 2.548 122.443 119.914 -0.031 0.000 2.350 78 V HA 0.358 4.480 4.120 0.004 0.000 0.276 78 V C -0.220 175.725 176.094 -0.248 0.000 1.028 78 V CA -0.496 61.749 62.300 -0.091 0.000 0.860 78 V CB 1.016 32.809 31.823 -0.051 0.000 0.990 78 V HN 0.363 nan 8.190 nan 0.000 0.453 79 F N 2.882 122.546 119.950 -0.476 0.000 2.397 79 F HA 0.400 4.929 4.527 0.004 0.000 0.331 79 F C 0.650 176.159 175.800 -0.485 0.000 1.090 79 F CA -0.405 57.241 58.000 -0.590 0.000 1.065 79 F CB 1.272 39.599 39.000 -1.122 0.000 1.184 79 F HN 0.464 nan 8.300 nan 0.000 0.499 80 N N 1.257 119.905 118.700 -0.088 0.000 2.422 80 N HA 0.424 5.167 4.740 0.004 0.000 0.266 80 N C 0.565 176.036 175.510 -0.066 0.000 1.007 80 N CA -0.070 52.964 53.050 -0.025 0.000 0.941 80 N CB 1.322 39.861 38.487 0.086 0.000 1.115 80 N HN 0.750 nan 8.380 nan 0.000 0.492 81 A N 3.254 125.994 122.820 -0.134 0.000 1.902 81 A HA -0.166 4.156 4.320 0.004 0.000 0.217 81 A C 1.958 179.310 177.584 -0.386 0.000 1.181 81 A CA 1.177 53.028 52.037 -0.310 0.000 0.623 81 A CB -0.432 18.042 19.000 -0.875 0.000 0.818 81 A HN 0.765 nan 8.150 nan 0.000 0.443 82 E N -0.590 119.332 120.200 -0.462 0.000 2.021 82 E HA -0.210 4.143 4.350 0.004 0.000 0.200 82 E C 1.720 178.011 176.600 -0.515 0.000 1.015 82 E CA 1.970 58.025 56.400 -0.575 0.000 0.824 82 E CB -0.420 28.557 29.700 -1.204 0.000 0.762 82 E HN 0.852 nan 8.360 nan 0.000 0.454 83 Y N -1.993 118.315 120.300 0.014 0.000 2.462 83 Y HA 0.365 4.917 4.550 0.004 0.000 0.253 83 Y C 1.656 177.566 175.900 0.017 0.000 1.095 83 Y CA 0.321 58.428 58.100 0.011 0.000 1.283 83 Y CB 0.353 38.814 38.460 0.000 0.000 1.138 83 Y HN 0.175 nan 8.280 nan 0.000 0.522 84 G N 1.220 110.099 108.800 0.132 0.000 2.159 84 G HA2 -0.324 3.638 3.960 0.004 0.000 0.256 84 G HA3 -0.324 3.638 3.960 0.004 0.000 0.256 84 G C -0.041 174.949 174.900 0.150 0.000 0.977 84 G CA 0.136 45.341 45.100 0.174 0.000 0.652 84 G HN 0.513 nan 8.290 nan 0.000 0.531 85 N N 0.519 119.276 118.700 0.094 0.000 2.508 85 N HA 0.458 5.200 4.740 0.004 0.000 0.264 85 N C -0.021 175.365 175.510 -0.206 0.000 1.216 85 N CA 0.696 53.727 53.050 -0.031 0.000 0.943 85 N CB 1.354 39.840 38.487 -0.001 0.000 1.113 85 N HN 0.855 nan 8.380 nan 0.000 0.447 86 S N -0.118 115.373 115.700 -0.348 0.000 2.536 86 S HA 0.582 5.054 4.470 0.004 0.000 0.287 86 S C -0.965 173.456 174.600 -0.298 0.000 1.101 86 S CA -0.934 56.938 58.200 -0.546 0.000 0.950 86 S CB 1.340 63.856 63.200 -1.141 0.000 1.056 86 S HN 0.528 nan 8.310 nan 0.000 0.481 87 S N 1.757 117.325 115.700 -0.220 0.000 2.596 87 S HA 0.391 4.863 4.470 0.004 0.000 0.318 87 S C -0.211 174.348 174.600 -0.070 0.000 1.097 87 S CA -0.773 57.360 58.200 -0.112 0.000 1.080 87 S CB 1.259 64.429 63.200 -0.051 0.000 0.991 87 S HN 0.739 nan 8.310 nan 0.000 0.471 88 V N 5.036 124.908 119.914 -0.070 0.000 2.479 88 V HA -0.073 4.049 4.120 0.004 0.000 0.284 88 V C 1.042 177.140 176.094 0.007 0.000 0.981 88 V CA 0.542 62.820 62.300 -0.037 0.000 1.139 88 V CB -1.268 30.519 31.823 -0.059 0.000 0.947 88 V HN 0.965 nan 8.190 nan 0.000 0.468 89 F N 5.039 124.935 119.950 -0.089 0.000 2.206 89 F HA 0.184 4.713 4.527 0.004 0.000 0.298 89 F C 0.892 176.646 175.800 -0.077 0.000 1.090 89 F CA 1.126 59.083 58.000 -0.072 0.000 1.323 89 F CB 0.448 39.413 39.000 -0.058 0.000 1.028 89 F HN 0.336 nan 8.300 nan 0.000 0.492 90 L N 1.518 122.678 121.223 -0.104 0.000 2.516 90 L HA 0.278 4.620 4.340 0.004 0.000 0.267 90 L C -1.073 175.710 176.870 -0.145 0.000 0.957 90 L CA -0.504 54.208 54.840 -0.212 0.000 0.860 90 L CB 1.487 43.455 42.059 -0.152 0.000 1.265 90 L HN -0.076 nan 8.230 nan 0.000 0.403 91 E N 1.791 121.879 120.200 -0.187 0.000 2.360 91 E HA 0.070 4.422 4.350 0.004 0.000 0.269 91 E C 1.228 177.738 176.600 -0.150 0.000 1.022 91 E CA 0.086 56.396 56.400 -0.150 0.000 0.887 91 E CB 0.915 30.521 29.700 -0.158 0.000 0.990 91 E HN 0.604 nan 8.360 nan 0.000 0.426 92 N N 1.514 120.158 118.700 -0.094 0.000 2.132 92 N HA -0.259 4.483 4.740 0.004 0.000 0.191 92 N C 0.719 176.189 175.510 -0.066 0.000 1.015 92 N CA 1.728 54.741 53.050 -0.062 0.000 0.864 92 N CB -0.306 38.158 38.487 -0.039 0.000 1.006 92 N HN 0.280 nan 8.380 nan 0.000 0.430 93 S N -2.983 112.656 115.700 -0.102 0.000 2.537 93 S HA 0.274 4.746 4.470 0.004 0.000 0.246 93 S C 0.777 175.266 174.600 -0.185 0.000 1.036 93 S CA -0.636 57.504 58.200 -0.100 0.000 1.041 93 S CB -0.130 63.027 63.200 -0.071 0.000 0.799 93 S HN 0.193 nan 8.310 nan 0.000 0.456 94 T N 1.221 115.565 114.554 -0.351 0.000 2.942 94 T HA 0.163 4.515 4.350 0.004 0.000 0.265 94 T C 0.237 174.498 174.700 -0.732 0.000 1.062 94 T CA 0.937 62.656 62.100 -0.635 0.000 1.139 94 T CB -0.327 67.930 68.868 -1.018 0.000 0.883 94 T HN 0.587 nan 8.240 nan 0.000 0.468 95 F N 0.923 120.794 119.950 -0.131 0.000 2.647 95 F HA 0.348 4.877 4.527 0.004 0.000 0.300 95 F C 1.418 177.233 175.800 0.026 0.000 1.106 95 F CA -1.140 56.813 58.000 -0.077 0.000 1.313 95 F CB -0.233 38.671 39.000 -0.160 0.000 1.007 95 F HN 0.018 nan 8.300 nan 0.000 0.536 96 D N 0.740 121.183 120.400 0.072 0.000 2.218 96 D HA -0.132 4.510 4.640 0.004 0.000 0.204 96 D C 0.903 177.240 176.300 0.061 0.000 0.976 96 D CA 1.062 55.092 54.000 0.051 0.000 0.853 96 D CB 0.142 40.938 40.800 -0.006 0.000 0.939 96 D HN 0.072 nan 8.370 nan 0.000 0.481 97 E N -0.401 119.841 120.200 0.070 0.000 2.280 97 E HA 0.104 4.456 4.350 0.004 0.000 0.279 97 E C -0.244 176.499 176.600 0.238 0.000 1.325 97 E CA -0.153 56.302 56.400 0.092 0.000 1.486 97 E CB 0.046 29.774 29.700 0.046 0.000 1.466 97 E HN 0.434 nan 8.360 nan 0.000 0.473 98 F N -0.780 119.170 119.950 0.000 0.000 2.637 98 F HA 0.197 4.726 4.527 0.004 0.000 0.342 98 F C 1.481 177.165 175.800 -0.194 0.000 0.822 98 F CA 0.624 58.610 58.000 -0.023 0.000 1.046 98 F CB 0.752 39.782 39.000 0.050 0.000 0.921 98 F HN 0.407 nan 8.300 nan 0.000 0.649 99 G N 0.706 109.366 108.800 -0.234 0.000 2.299 99 G HA2 -0.231 3.732 3.960 0.004 0.000 0.237 99 G HA3 -0.231 3.732 3.960 0.004 0.000 0.237 99 G C 0.027 174.614 174.900 -0.521 0.000 1.027 99 G CA 0.323 45.168 45.100 -0.424 0.000 0.619 99 G HN 0.472 nan 8.290 nan 0.000 0.513 100 H N 0.895 119.676 119.070 -0.481 0.000 2.481 100 H HA 0.580 5.138 4.556 0.004 0.000 0.339 100 H C -0.081 175.207 175.328 -0.067 0.000 1.131 100 H CA 0.197 56.018 56.048 -0.379 0.000 1.301 100 H CB 1.393 30.637 29.762 -0.865 0.000 1.476 100 H HN 0.166 nan 8.280 nan 0.000 0.529 101 S N 3.240 119.020 115.700 0.134 0.000 2.422 101 S HA 0.115 4.587 4.470 0.004 0.000 0.283 101 S C 0.815 175.516 174.600 0.168 0.000 1.163 101 S CA -0.696 57.581 58.200 0.128 0.000 1.054 101 S CB -0.200 63.054 63.200 0.090 0.000 0.967 101 S HN 0.295 nan 8.310 nan 0.000 0.499 102 I N 4.070 124.730 120.570 0.150 0.000 2.494 102 I HA 0.064 4.237 4.170 0.004 0.000 0.289 102 I C 1.372 177.538 176.117 0.082 0.000 1.106 102 I CA 0.090 61.463 61.300 0.121 0.000 1.369 102 I CB -0.665 37.365 38.000 0.050 0.000 1.410 102 I HN 0.591 nan 8.210 nan 0.000 0.523 103 N N 4.346 123.086 118.700 0.067 0.000 2.220 103 N HA -0.072 4.670 4.740 0.004 0.000 0.182 103 N C 0.122 175.613 175.510 -0.032 0.000 1.023 103 N CA 1.202 54.238 53.050 -0.023 0.000 0.856 103 N CB 0.406 38.843 38.487 -0.083 0.000 0.997 103 N HN 0.680 nan 8.380 nan 0.000 0.429 104 D N -2.174 118.234 120.400 0.014 0.000 2.602 104 D HA 0.205 4.847 4.640 0.004 0.000 0.236 104 D C -1.525 174.843 176.300 0.114 0.000 1.209 104 D CA -0.603 53.408 54.000 0.018 0.000 0.831 104 D CB 1.010 41.787 40.800 -0.039 0.000 1.478 104 D HN 0.134 nan 8.370 nan 0.000 0.438 105 Y N -0.638 119.703 120.300 0.068 0.000 2.524 105 Y HA 0.777 5.329 4.550 0.004 0.000 0.344 105 Y C -0.792 175.205 175.900 0.163 0.000 1.012 105 Y CA -1.069 57.091 58.100 0.100 0.000 1.068 105 Y CB 1.888 40.400 38.460 0.087 0.000 1.249 105 Y HN 0.140 nan 8.280 nan 0.000 0.468 106 S N 3.856 119.759 115.700 0.338 0.000 2.689 106 S HA 0.562 5.034 4.470 0.004 0.000 0.274 106 S C -1.583 173.322 174.600 0.509 0.000 1.176 106 S CA -0.754 57.657 58.200 0.351 0.000 1.014 106 S CB 0.156 63.550 63.200 0.322 0.000 1.071 106 S HN 0.624 nan 8.310 nan 0.000 0.478 107 I N 4.563 125.325 120.570 0.319 0.000 2.365 107 I HA 0.314 4.486 4.170 0.004 0.000 0.291 107 I C 1.095 177.014 176.117 -0.330 0.000 1.004 107 I CA -0.501 60.858 61.300 0.098 0.000 1.311 107 I CB 0.733 38.792 38.000 0.099 0.000 1.401 107 I HN 0.788 nan 8.210 nan 0.000 0.491 108 S N 6.332 121.461 115.700 -0.951 0.000 2.558 108 S HA 0.089 4.562 4.470 0.004 0.000 0.287 108 S C -1.751 172.583 174.600 -0.443 0.000 1.321 108 S CA -0.703 56.723 58.200 -1.290 0.000 1.048 108 S CB 0.129 62.514 63.200 -1.358 0.000 0.844 108 S HN 0.477 nan 8.310 nan 0.000 0.512 109 P HA -0.121 nan 4.420 nan 0.000 0.218 109 P C 0.691 177.947 177.300 -0.073 0.000 1.146 109 P CA 1.434 64.471 63.100 -0.105 0.000 0.813 109 P CB -0.136 31.523 31.700 -0.069 0.000 0.778 110 D N -1.930 118.425 120.400 -0.075 0.000 2.325 110 D HA 0.104 4.746 4.640 0.004 0.000 0.225 110 D C 1.244 177.527 176.300 -0.029 0.000 1.096 110 D CA 0.157 54.146 54.000 -0.018 0.000 0.844 110 D CB -1.268 39.560 40.800 0.046 0.000 0.925 110 D HN 0.117 nan 8.370 nan 0.000 0.513 111 G N 0.645 109.407 108.800 -0.063 0.000 2.258 111 G HA2 -0.391 3.572 3.960 0.004 0.000 0.274 111 G HA3 -0.391 3.572 3.960 0.004 0.000 0.274 111 G C 0.796 175.669 174.900 -0.046 0.000 1.021 111 G CA 0.793 45.881 45.100 -0.021 0.000 0.798 111 G HN 0.483 nan 8.290 nan 0.000 0.507 112 Q N -1.863 117.835 119.800 -0.171 0.000 2.349 112 Q HA 0.334 4.676 4.340 0.004 0.000 0.209 112 Q C 0.354 175.918 176.000 -0.727 0.000 0.920 112 Q CA 0.690 56.209 55.803 -0.473 0.000 0.901 112 Q CB 0.565 28.916 28.738 -0.646 0.000 1.021 112 Q HN 0.596 nan 8.270 nan 0.000 0.519 113 F N -0.153 119.721 119.950 -0.125 0.000 2.588 113 F HA 0.504 5.034 4.527 0.004 0.000 0.314 113 F C -0.502 175.330 175.800 0.054 0.000 1.069 113 F CA -1.208 56.781 58.000 -0.019 0.000 0.931 113 F CB 1.839 40.847 39.000 0.013 0.000 1.260 113 F HN -0.181 nan 8.300 nan 0.000 0.465 114 I N 3.041 123.884 120.570 0.455 0.000 2.433 114 I HA 0.492 4.664 4.170 0.004 0.000 0.292 114 I C -1.601 174.816 176.117 0.499 0.000 1.001 114 I CA -1.073 60.500 61.300 0.454 0.000 1.119 114 I CB 1.440 39.681 38.000 0.402 0.000 1.289 114 I HN 0.555 nan 8.210 nan 0.000 0.438 115 L N 8.289 129.858 121.223 0.575 0.000 2.290 115 L HA 0.447 4.789 4.340 0.004 0.000 0.284 115 L C -1.129 175.900 176.870 0.265 0.000 1.078 115 L CA 0.083 55.167 54.840 0.407 0.000 0.815 115 L CB 0.862 43.124 42.059 0.339 0.000 1.162 115 L HN 0.502 nan 8.230 nan 0.000 0.435 116 L N 5.210 126.532 121.223 0.165 0.000 2.313 116 L HA 0.510 4.852 4.340 0.004 0.000 0.283 116 L C -0.231 176.738 176.870 0.165 0.000 1.013 116 L CA -0.486 54.388 54.840 0.055 0.000 0.816 116 L CB 1.651 43.547 42.059 -0.272 0.000 1.236 116 L HN 0.614 nan 8.230 nan 0.000 0.419 117 E N 3.997 124.258 120.200 0.101 0.000 2.145 117 E HA 0.456 4.808 4.350 0.004 0.000 0.270 117 E C -1.615 174.979 176.600 -0.010 0.000 0.906 117 E CA -0.497 55.805 56.400 -0.162 0.000 0.761 117 E CB 1.226 30.896 29.700 -0.050 0.000 1.116 117 E HN 0.458 nan 8.360 nan 0.000 0.408 118 Y N 1.786 121.933 120.300 -0.255 0.000 2.805 118 Y HA 0.486 5.038 4.550 0.004 0.000 0.323 118 Y C 0.074 175.887 175.900 -0.145 0.000 1.279 118 Y CA -1.576 56.454 58.100 -0.115 0.000 1.103 118 Y CB 0.308 38.758 38.460 -0.017 0.000 1.324 118 Y HN 0.506 nan 8.280 nan 0.000 0.498 119 N N -0.861 117.841 118.700 0.004 0.000 2.725 119 N HA -0.303 4.440 4.740 0.004 0.000 0.249 119 N C -0.994 174.479 175.510 -0.061 0.000 1.103 119 N CA 0.974 53.978 53.050 -0.076 0.000 0.707 119 N CB -1.753 36.586 38.487 -0.247 0.000 1.043 119 N HN 0.836 nan 8.380 nan 0.000 0.553 120 Y N 0.454 120.681 120.300 -0.122 0.000 2.729 120 Y HA 0.223 4.775 4.550 0.004 0.000 0.331 120 Y C 0.061 175.922 175.900 -0.064 0.000 1.208 120 Y CA 0.140 58.169 58.100 -0.118 0.000 1.521 120 Y CB 0.577 38.925 38.460 -0.187 0.000 1.233 120 Y HN -0.016 nan 8.280 nan 0.000 0.539 121 V N 8.081 127.669 119.914 -0.544 0.000 2.380 121 V HA 0.198 4.320 4.120 0.004 0.000 0.286 121 V C -0.512 175.211 176.094 -0.618 0.000 1.015 121 V CA -1.211 60.829 62.300 -0.434 0.000 0.834 121 V CB 1.143 32.835 31.823 -0.218 0.000 1.009 121 V HN 0.745 nan 8.190 nan 0.000 0.428 122 K N 4.073 124.080 120.400 -0.656 0.000 2.237 122 K HA 0.442 4.764 4.320 0.004 0.000 0.270 122 K C 0.220 176.637 176.600 -0.304 0.000 1.015 122 K CA -0.194 55.842 56.287 -0.419 0.000 0.949 122 K CB 1.903 34.345 32.500 -0.096 0.000 0.976 122 K HN 0.622 nan 8.250 nan 0.000 0.472 123 Q N 1.913 121.500 119.800 -0.356 0.000 2.412 123 Q HA 0.192 4.535 4.340 0.004 0.000 0.203 123 Q C -0.080 175.624 176.000 -0.493 0.000 0.958 123 Q CA -0.296 55.071 55.803 -0.727 0.000 0.823 123 Q CB 0.111 28.205 28.738 -1.073 0.000 1.236 123 Q HN 0.756 nan 8.270 nan 0.000 0.580 124 W N -0.050 121.255 121.300 0.009 0.000 2.090 124 W HA 0.389 5.051 4.660 0.004 0.000 0.609 124 W C 1.666 178.195 176.519 0.017 0.000 1.671 124 W CA -0.814 56.578 57.345 0.078 0.000 1.756 124 W CB -0.113 29.400 29.460 0.089 0.000 2.998 124 W HN 0.198 nan 8.180 nan 0.000 0.761 125 R N -0.531 120.103 120.500 0.224 0.000 2.105 125 R HA -0.176 4.167 4.340 0.004 0.000 0.239 125 R C 1.641 177.775 176.300 -0.277 0.000 1.135 125 R CA 1.950 57.995 56.100 -0.093 0.000 0.967 125 R CB -0.393 29.741 30.300 -0.275 0.000 0.861 125 R HN 0.529 nan 8.270 nan 0.000 0.442 126 H N -1.539 117.613 119.070 0.136 0.000 2.800 126 H HA 0.133 4.691 4.556 0.004 0.000 0.257 126 H C 0.584 176.002 175.328 0.150 0.000 0.967 126 H CA 0.469 56.614 56.048 0.162 0.000 1.192 126 H CB 0.254 30.084 29.762 0.113 0.000 1.441 126 H HN 0.144 nan 8.280 nan 0.000 0.461 127 S N 1.444 117.149 115.700 0.008 0.000 2.564 127 S HA 0.330 4.803 4.470 0.004 0.000 0.278 127 S C -0.280 174.163 174.600 -0.262 0.000 1.333 127 S CA -0.447 57.432 58.200 -0.536 0.000 1.048 127 S CB 0.440 62.834 63.200 -1.342 0.000 0.900 127 S HN 0.422 nan 8.310 nan 0.000 0.505 128 Y N -1.882 118.270 120.300 -0.247 0.000 2.713 128 Y HA 0.729 5.281 4.550 0.004 0.000 0.335 128 Y C -0.673 175.191 175.900 -0.060 0.000 1.222 128 Y CA -1.212 56.741 58.100 -0.245 0.000 1.061 128 Y CB 0.731 39.007 38.460 -0.308 0.000 1.314 128 Y HN 0.577 nan 8.280 nan 0.000 0.453 129 T N 1.277 115.877 114.554 0.077 0.000 2.918 129 T HA 0.925 5.277 4.350 0.004 0.000 0.286 129 T C -0.974 173.812 174.700 0.143 0.000 1.026 129 T CA 0.158 62.318 62.100 0.101 0.000 1.031 129 T CB 1.229 70.094 68.868 -0.005 0.000 1.046 129 T HN 1.231 nan 8.240 nan 0.000 0.479 130 A N 1.409 124.285 122.820 0.093 0.000 2.586 130 A HA 0.691 5.013 4.320 0.004 0.000 0.291 130 A C -0.934 176.393 177.584 -0.428 0.000 1.062 130 A CA -0.747 51.187 52.037 -0.171 0.000 0.666 130 A CB 1.124 20.026 19.000 -0.165 0.000 1.281 130 A HN 0.643 nan 8.150 nan 0.000 0.421 131 S N -0.376 114.816 115.700 -0.846 0.000 2.593 131 S HA 0.823 5.295 4.470 0.004 0.000 0.297 131 S C -1.449 172.393 174.600 -1.262 0.000 1.112 131 S CA -0.090 57.513 58.200 -0.994 0.000 1.043 131 S CB 0.679 63.107 63.200 -1.287 0.000 1.054 131 S HN 0.466 nan 8.310 nan 0.000 0.516 132 Y N 0.169 120.227 120.300 -0.404 0.000 2.457 132 Y HA 0.448 5.000 4.550 0.004 0.000 0.343 132 Y C -0.335 175.590 175.900 0.042 0.000 0.994 132 Y CA -0.876 57.146 58.100 -0.130 0.000 1.031 132 Y CB 1.800 40.130 38.460 -0.217 0.000 1.246 132 Y HN 0.504 nan 8.280 nan 0.000 0.449 133 D N 3.232 123.794 120.400 0.270 0.000 2.787 133 D HA 0.470 5.112 4.640 0.004 0.000 0.246 133 D C -0.961 175.407 176.300 0.113 0.000 1.150 133 D CA -0.349 53.745 54.000 0.157 0.000 0.864 133 D CB 2.612 43.472 40.800 0.099 0.000 1.481 133 D HN 0.435 nan 8.370 nan 0.000 0.509 134 I N 2.401 123.044 120.570 0.120 0.000 2.315 134 I HA 0.172 4.344 4.170 0.004 0.000 0.291 134 I C -0.534 175.744 176.117 0.269 0.000 1.006 134 I CA -0.774 60.651 61.300 0.208 0.000 1.265 134 I CB 0.771 38.862 38.000 0.151 0.000 1.387 134 I HN 0.247 nan 8.210 nan 0.000 0.475 135 Y N 6.034 126.455 120.300 0.200 0.000 2.385 135 Y HA 0.224 4.776 4.550 0.004 0.000 0.341 135 Y C 0.172 176.229 175.900 0.261 0.000 0.965 135 Y CA -0.663 57.557 58.100 0.200 0.000 1.180 135 Y CB 0.695 39.285 38.460 0.216 0.000 1.139 135 Y HN 0.505 nan 8.280 nan 0.000 0.502 136 D N 6.297 126.687 120.400 -0.017 0.000 2.346 136 D HA 0.016 4.659 4.640 0.004 0.000 0.260 136 D C 0.806 176.903 176.300 -0.339 0.000 1.252 136 D CA 0.526 54.487 54.000 -0.064 0.000 0.895 136 D CB 0.880 41.666 40.800 -0.023 0.000 1.097 136 D HN 0.853 nan 8.370 nan 0.000 0.489 137 L N 3.948 125.033 121.223 -0.230 0.000 2.056 137 L HA -0.172 4.171 4.340 0.004 0.000 0.207 137 L C 2.212 178.957 176.870 -0.208 0.000 1.078 137 L CA 0.611 55.366 54.840 -0.141 0.000 0.749 137 L CB -0.354 41.649 42.059 -0.093 0.000 0.901 137 L HN 0.397 nan 8.230 nan 0.000 0.433 138 N N 0.667 119.208 118.700 -0.266 0.000 2.013 138 N HA -0.208 4.534 4.740 0.004 0.000 0.195 138 N C 1.750 177.151 175.510 -0.182 0.000 1.051 138 N CA 1.512 54.436 53.050 -0.211 0.000 0.851 138 N CB -0.321 38.027 38.487 -0.231 0.000 1.044 138 N HN 0.322 nan 8.380 nan 0.000 0.422 139 K N 0.525 120.806 120.400 -0.198 0.000 2.209 139 K HA 0.027 4.349 4.320 0.004 0.000 0.204 139 K C 0.072 176.550 176.600 -0.204 0.000 1.048 139 K CA 0.206 56.393 56.287 -0.167 0.000 0.940 139 K CB 0.125 32.542 32.500 -0.139 0.000 0.729 139 K HN 0.099 nan 8.250 nan 0.000 0.451 140 R N 0.822 121.140 120.500 -0.305 0.000 3.423 140 R HA -0.151 4.191 4.340 0.004 0.000 0.271 140 R C -0.963 175.083 176.300 -0.423 0.000 1.093 140 R CA 1.020 56.918 56.100 -0.337 0.000 0.730 140 R CB -2.153 28.071 30.300 -0.127 0.000 1.190 140 R HN 0.708 nan 8.270 nan 0.000 0.437 141 Q N -1.556 117.830 119.800 -0.689 0.000 2.527 141 Q HA 0.478 4.821 4.340 0.004 0.000 0.280 141 Q C -0.650 175.148 176.000 -0.336 0.000 0.977 141 Q CA -1.264 54.312 55.803 -0.378 0.000 0.837 141 Q CB 0.978 29.631 28.738 -0.141 0.000 1.454 141 Q HN -0.084 nan 8.270 nan 0.000 0.387 142 L N 1.521 122.737 121.223 -0.013 0.000 2.467 142 L HA 0.279 4.621 4.340 0.004 0.000 0.270 142 L C 0.184 177.081 176.870 0.044 0.000 1.205 142 L CA -0.005 54.890 54.840 0.091 0.000 0.828 142 L CB -0.468 41.687 42.059 0.160 0.000 1.101 142 L HN 0.680 nan 8.230 nan 0.000 0.479 143 I N 1.327 121.933 120.570 0.061 0.000 2.395 143 I HA 0.088 4.261 4.170 0.004 0.000 0.289 143 I C 1.396 177.538 176.117 0.041 0.000 1.023 143 I CA 0.353 61.677 61.300 0.039 0.000 1.350 143 I CB 1.438 39.454 38.000 0.026 0.000 1.409 143 I HN 0.830 nan 8.210 nan 0.000 0.507 144 T N 1.387 115.958 114.554 0.029 0.000 3.038 144 T HA 0.137 4.490 4.350 0.004 0.000 0.244 144 T C 0.595 175.298 174.700 0.006 0.000 1.016 144 T CA -0.151 61.967 62.100 0.031 0.000 1.098 144 T CB 0.019 68.909 68.868 0.036 0.000 0.954 144 T HN 0.517 nan 8.240 nan 0.000 0.469 145 E N 2.164 122.361 120.200 -0.006 0.000 2.266 145 E HA 0.192 4.544 4.350 0.004 0.000 0.277 145 E C -0.646 175.930 176.600 -0.040 0.000 1.018 145 E CA -0.285 56.102 56.400 -0.021 0.000 0.840 145 E CB 0.652 30.343 29.700 -0.015 0.000 1.082 145 E HN 0.288 nan 8.360 nan 0.000 0.395 146 E N 0.985 121.149 120.200 -0.059 0.000 2.271 146 E HA -0.214 4.138 4.350 0.004 0.000 0.223 146 E C -0.206 176.330 176.600 -0.107 0.000 1.223 146 E CA 0.736 57.084 56.400 -0.085 0.000 0.704 146 E CB -1.450 28.204 29.700 -0.077 0.000 1.194 146 E HN 0.754 nan 8.360 nan 0.000 0.375 147 R N -0.460 119.969 120.500 -0.119 0.000 2.583 147 R HA 0.570 4.912 4.340 0.004 0.000 0.268 147 R C 0.886 177.034 176.300 -0.254 0.000 1.101 147 R CA -0.730 55.287 56.100 -0.138 0.000 1.180 147 R CB 0.702 30.954 30.300 -0.081 0.000 1.128 147 R HN 0.036 nan 8.270 nan 0.000 0.568 148 I N 2.229 122.620 120.570 -0.298 0.000 2.471 148 I HA 0.128 4.301 4.170 0.004 0.000 0.286 148 I C -1.778 174.043 176.117 -0.494 0.000 1.079 148 I CA -2.094 58.886 61.300 -0.535 0.000 1.398 148 I CB 0.941 38.634 38.000 -0.511 0.000 1.403 148 I HN 0.407 nan 8.210 nan 0.000 0.530 149 P HA 0.049 nan 4.420 nan 0.000 0.271 149 P C -0.896 176.160 177.300 -0.408 0.000 1.233 149 P CA -0.299 62.367 63.100 -0.724 0.000 0.789 149 P CB 0.358 31.138 31.700 -1.534 0.000 0.951 150 N N 1.308 119.861 118.700 -0.245 0.000 2.525 150 N HA 0.086 4.828 4.740 0.004 0.000 0.271 150 N C 0.139 175.721 175.510 0.119 0.000 1.194 150 N CA 0.029 53.028 53.050 -0.085 0.000 0.964 150 N CB -0.616 37.843 38.487 -0.048 0.000 1.126 150 N HN 0.398 nan 8.380 nan 0.000 0.452 151 N N -1.792 116.968 118.700 0.099 0.000 2.818 151 N HA -0.160 4.582 4.740 0.004 0.000 0.250 151 N C -1.089 174.617 175.510 0.325 0.000 1.108 151 N CA 0.679 53.844 53.050 0.191 0.000 0.745 151 N CB -1.431 37.178 38.487 0.203 0.000 1.104 151 N HN 0.479 nan 8.380 nan 0.000 0.557 152 T N 0.415 115.148 114.554 0.298 0.000 2.888 152 T HA 0.022 4.375 4.350 0.004 0.000 0.301 152 T C 1.458 176.332 174.700 0.290 0.000 1.001 152 T CA 0.212 62.499 62.100 0.311 0.000 1.147 152 T CB 1.084 70.016 68.868 0.106 0.000 0.931 152 T HN 0.191 nan 8.240 nan 0.000 0.541 153 Q N 1.710 121.669 119.800 0.266 0.000 2.212 153 Q HA 0.153 4.495 4.340 0.004 0.000 0.199 153 Q C 0.169 176.337 176.000 0.281 0.000 0.950 153 Q CA 0.571 56.546 55.803 0.288 0.000 0.863 153 Q CB 0.648 29.525 28.738 0.233 0.000 0.944 153 Q HN 0.732 nan 8.270 nan 0.000 0.465 154 W N 0.081 121.336 121.300 -0.074 0.000 3.372 154 W HA 0.501 5.163 4.660 0.004 0.000 0.315 154 W C -2.092 174.322 176.519 -0.175 0.000 1.223 154 W CA -0.783 56.468 57.345 -0.157 0.000 1.202 154 W CB 1.425 30.733 29.460 -0.255 0.000 1.367 154 W HN -0.368 nan 8.180 nan 0.000 0.531 155 V N 3.189 122.446 119.914 -1.094 0.000 2.841 155 V HA 0.700 4.823 4.120 0.004 0.000 0.310 155 V C -0.497 174.853 176.094 -1.239 0.000 1.090 155 V CA -0.684 61.004 62.300 -1.021 0.000 0.930 155 V CB 1.639 32.800 31.823 -1.102 0.000 1.014 155 V HN 0.497 nan 8.190 nan 0.000 0.425 156 T N 2.864 117.003 114.554 -0.692 0.000 3.105 156 T HA 0.467 4.819 4.350 0.004 0.000 0.321 156 T C -1.438 173.253 174.700 -0.016 0.000 1.135 156 T CA -0.343 61.567 62.100 -0.318 0.000 1.053 156 T CB 0.663 69.562 68.868 0.051 0.000 1.133 156 T HN 0.546 nan 8.240 nan 0.000 0.463 157 W N 3.748 125.071 121.300 0.039 0.000 2.158 157 W HA 0.390 5.052 4.660 0.004 0.000 0.339 157 W C 1.333 177.655 176.519 -0.329 0.000 1.294 157 W CA -0.537 56.770 57.345 -0.063 0.000 1.231 157 W CB 0.485 29.913 29.460 -0.054 0.000 1.143 157 W HN 0.786 nan 8.180 nan 0.000 0.571 158 S N 2.718 118.031 115.700 -0.645 0.000 2.569 158 S HA -0.011 4.462 4.470 0.004 0.000 0.274 158 S C -1.351 172.920 174.600 -0.549 0.000 1.353 158 S CA -0.855 56.425 58.200 -1.533 0.000 1.023 158 S CB 0.478 62.864 63.200 -1.357 0.000 0.876 158 S HN 0.417 nan 8.310 nan 0.000 0.540 159 P HA 0.003 nan 4.420 nan 0.000 0.220 159 P C 0.592 177.837 177.300 -0.091 0.000 1.148 159 P CA 1.072 64.111 63.100 -0.101 0.000 0.803 159 P CB -0.349 31.340 31.700 -0.019 0.000 0.782 160 V N -5.696 114.125 119.914 -0.155 0.000 2.962 160 V HA 0.874 4.996 4.120 0.004 0.000 0.313 160 V C 0.112 176.107 176.094 -0.165 0.000 1.099 160 V CA -0.153 62.077 62.300 -0.117 0.000 0.971 160 V CB 1.109 32.884 31.823 -0.080 0.000 1.028 160 V HN 0.488 nan 8.190 nan 0.000 0.430 161 G N 2.680 111.404 108.800 -0.127 0.000 2.527 161 G HA2 -0.110 3.853 3.960 0.004 0.000 0.227 161 G HA3 -0.110 3.853 3.960 0.004 0.000 0.227 161 G C 0.125 174.959 174.900 -0.109 0.000 1.291 161 G CA 0.502 45.499 45.100 -0.171 0.000 0.904 161 G HN 2.479 nan 8.290 nan 0.000 0.577 162 H N -0.327 118.747 119.070 0.007 0.000 2.865 162 H HA 0.352 4.911 4.556 0.004 0.000 0.247 162 H C 0.345 175.820 175.328 0.245 0.000 1.181 162 H CA -0.046 56.055 56.048 0.089 0.000 0.975 162 H CB 0.028 29.890 29.762 0.167 0.000 1.899 162 H HN 0.523 nan 8.280 nan 0.000 0.651 163 K N 1.667 122.089 120.400 0.037 0.000 2.382 163 K HA 0.281 4.604 4.320 0.004 0.000 0.275 163 K C -0.692 175.998 176.600 0.150 0.000 1.009 163 K CA -0.301 56.014 56.287 0.046 0.000 0.970 163 K CB 1.512 33.925 32.500 -0.145 0.000 0.934 163 K HN 0.099 nan 8.250 nan 0.000 0.479 164 L N 1.662 122.995 121.223 0.183 0.000 2.439 164 L HA 0.489 4.831 4.340 0.004 0.000 0.270 164 L C -1.477 175.511 176.870 0.197 0.000 0.972 164 L CA -0.156 54.723 54.840 0.066 0.000 0.836 164 L CB 1.795 43.695 42.059 -0.265 0.000 1.255 164 L HN 0.768 nan 8.230 nan 0.000 0.404 165 A N 4.210 127.202 122.820 0.287 0.000 2.337 165 A HA 0.835 5.157 4.320 0.004 0.000 0.329 165 A C -1.585 175.985 177.584 -0.022 0.000 1.146 165 A CA -0.359 51.725 52.037 0.078 0.000 0.800 165 A CB 0.902 19.862 19.000 -0.068 0.000 1.220 165 A HN 0.840 nan 8.150 nan 0.000 0.472 166 Y N -0.971 119.260 120.300 -0.114 0.000 2.625 166 Y HA 0.736 5.288 4.550 0.004 0.000 0.338 166 Y C -1.269 174.625 175.900 -0.010 0.000 1.123 166 Y CA -1.635 56.376 58.100 -0.148 0.000 1.046 166 Y CB 1.128 39.434 38.460 -0.257 0.000 1.299 166 Y HN 0.363 nan 8.280 nan 0.000 0.464 167 V N 2.179 122.238 119.914 0.241 0.000 2.378 167 V HA 0.251 4.373 4.120 0.004 0.000 0.288 167 V C -1.451 174.859 176.094 0.360 0.000 1.016 167 V CA -0.514 61.900 62.300 0.190 0.000 0.840 167 V CB 0.921 32.761 31.823 0.029 0.000 0.994 167 V HN 0.823 nan 8.190 nan 0.000 0.431 168 W N 4.806 126.220 121.300 0.188 0.000 2.702 168 W HA 0.467 5.129 4.660 0.004 0.000 0.331 168 W C 0.683 177.248 176.519 0.078 0.000 1.049 168 W CA -1.003 56.411 57.345 0.114 0.000 1.230 168 W CB 1.071 30.559 29.460 0.045 0.000 1.408 168 W HN 0.782 nan 8.180 nan 0.000 0.492 169 N N 5.226 123.614 118.700 -0.520 0.000 2.716 169 N HA -0.362 4.381 4.740 0.004 0.000 0.250 169 N C 0.054 175.419 175.510 -0.242 0.000 1.033 169 N CA 1.052 53.785 53.050 -0.528 0.000 0.727 169 N CB -1.046 36.920 38.487 -0.868 0.000 0.950 169 N HN 0.817 nan 8.380 nan 0.000 0.541 170 N N -1.898 116.728 118.700 -0.124 0.000 2.800 170 N HA -0.172 4.570 4.740 0.004 0.000 0.250 170 N C -1.285 174.159 175.510 -0.110 0.000 1.078 170 N CA 1.025 54.016 53.050 -0.098 0.000 0.804 170 N CB -0.362 38.024 38.487 -0.169 0.000 1.135 170 N HN 0.447 nan 8.380 nan 0.000 0.565 171 D N 0.398 120.750 120.400 -0.079 0.000 2.419 171 D HA 0.524 5.166 4.640 0.004 0.000 0.234 171 D C 0.027 176.213 176.300 -0.190 0.000 1.014 171 D CA -0.370 53.524 54.000 -0.176 0.000 0.919 171 D CB 1.700 42.380 40.800 -0.200 0.000 1.366 171 D HN -0.001 nan 8.370 nan 0.000 0.490 172 I N 1.501 121.771 120.570 -0.501 0.000 2.385 172 I HA 0.271 4.443 4.170 0.004 0.000 0.294 172 I C -0.775 174.848 176.117 -0.825 0.000 0.988 172 I CA -0.469 60.501 61.300 -0.551 0.000 1.265 172 I CB 0.706 38.291 38.000 -0.693 0.000 1.388 172 I HN 0.153 nan 8.210 nan 0.000 0.480 173 Y N 4.233 124.144 120.300 -0.650 0.000 2.477 173 Y HA 0.622 5.174 4.550 0.004 0.000 0.347 173 Y C -0.480 175.035 175.900 -0.641 0.000 0.981 173 Y CA -0.963 56.686 58.100 -0.750 0.000 1.033 173 Y CB 2.168 39.894 38.460 -1.224 0.000 1.245 173 Y HN 0.111 nan 8.280 nan 0.000 0.455 174 V N 3.489 123.302 119.914 -0.169 0.000 2.487 174 V HA 0.414 4.536 4.120 0.004 0.000 0.298 174 V C -0.723 175.437 176.094 0.111 0.000 1.028 174 V CA -1.292 61.020 62.300 0.020 0.000 0.860 174 V CB 1.796 33.693 31.823 0.122 0.000 0.991 174 V HN 0.623 nan 8.190 nan 0.000 0.427 175 K N 4.828 125.304 120.400 0.127 0.000 2.389 175 K HA 0.470 4.793 4.320 0.004 0.000 0.261 175 K C 0.551 177.242 176.600 0.152 0.000 1.014 175 K CA -0.651 55.699 56.287 0.105 0.000 0.920 175 K CB 1.546 34.087 32.500 0.070 0.000 1.149 175 K HN 0.486 nan 8.250 nan 0.000 0.444 176 I N 1.102 121.784 120.570 0.188 0.000 2.394 176 I HA -0.117 4.056 4.170 0.004 0.000 0.251 176 I C 0.430 176.641 176.117 0.158 0.000 1.136 176 I CA 1.446 62.851 61.300 0.175 0.000 1.425 176 I CB -0.401 37.722 38.000 0.206 0.000 1.079 176 I HN 0.508 nan 8.210 nan 0.000 0.425 177 E N 0.095 120.371 120.200 0.128 0.000 2.293 177 E HA 0.294 4.647 4.350 0.004 0.000 0.270 177 E C -1.999 174.581 176.600 -0.032 0.000 0.879 177 E CA -1.929 54.530 56.400 0.098 0.000 0.756 177 E CB 1.882 31.637 29.700 0.092 0.000 1.208 177 E HN -0.154 nan 8.360 nan 0.000 0.428 178 P HA -0.124 nan 4.420 nan 0.000 0.222 178 P C 0.836 178.050 177.300 -0.144 0.000 1.147 178 P CA 1.172 64.125 63.100 -0.245 0.000 0.790 178 P CB 0.321 31.658 31.700 -0.606 0.000 0.780 179 N N -1.097 117.538 118.700 -0.107 0.000 2.356 179 N HA 0.011 4.753 4.740 0.004 0.000 0.178 179 N C 0.544 176.028 175.510 -0.044 0.000 1.075 179 N CA 0.208 53.225 53.050 -0.054 0.000 0.889 179 N CB -0.288 38.186 38.487 -0.020 0.000 0.999 179 N HN 0.166 nan 8.380 nan 0.000 0.464 180 L N 1.169 122.367 121.223 -0.042 0.000 2.456 180 L HA 0.390 4.732 4.340 0.004 0.000 0.257 180 L C -2.121 174.692 176.870 -0.096 0.000 1.162 180 L CA -1.869 52.939 54.840 -0.053 0.000 0.808 180 L CB 0.234 42.274 42.059 -0.031 0.000 1.136 180 L HN -0.133 nan 8.230 nan 0.000 0.466 181 P HA 0.061 nan 4.420 nan 0.000 0.272 181 P C -1.040 176.087 177.300 -0.288 0.000 1.240 181 P CA -0.426 62.568 63.100 -0.176 0.000 0.791 181 P CB 0.593 32.192 31.700 -0.168 0.000 0.978 182 S N 0.141 115.722 115.700 -0.198 0.000 2.541 182 S HA 0.481 4.953 4.470 0.004 0.000 0.283 182 S C -0.838 173.647 174.600 -0.192 0.000 1.196 182 S CA -0.566 57.539 58.200 -0.158 0.000 1.062 182 S CB 0.078 63.307 63.200 0.049 0.000 1.009 182 S HN 0.216 nan 8.310 nan 0.000 0.502 183 Y N 0.787 121.108 120.300 0.035 0.000 2.313 183 Y HA 0.434 4.986 4.550 0.004 0.000 0.332 183 Y C 0.962 176.764 175.900 -0.163 0.000 1.071 183 Y CA -0.814 57.283 58.100 -0.006 0.000 1.169 183 Y CB 0.776 39.233 38.460 -0.005 0.000 1.192 183 Y HN 0.652 nan 8.280 nan 0.000 0.487 184 R N 3.004 123.442 120.500 -0.103 0.000 2.216 184 R HA 0.270 4.612 4.340 0.004 0.000 0.332 184 R C -0.034 175.991 176.300 -0.457 0.000 1.056 184 R CA -0.075 55.621 56.100 -0.673 0.000 0.901 184 R CB 0.213 29.925 30.300 -0.979 0.000 1.039 184 R HN 0.794 nan 8.270 nan 0.000 0.456 185 I N 2.017 122.233 120.570 -0.589 0.000 2.270 185 I HA -0.090 4.082 4.170 0.004 0.000 0.239 185 I C 1.118 177.037 176.117 -0.330 0.000 1.080 185 I CA 1.197 62.284 61.300 -0.356 0.000 1.383 185 I CB -0.227 37.519 38.000 -0.423 0.000 1.097 185 I HN 0.636 nan 8.210 nan 0.000 0.420 186 T N -3.473 110.744 114.554 -0.562 0.000 2.895 186 T HA 0.283 4.635 4.350 0.004 0.000 0.283 186 T C -0.443 173.960 174.700 -0.494 0.000 1.014 186 T CA -0.527 61.347 62.100 -0.376 0.000 1.037 186 T CB 1.318 69.949 68.868 -0.394 0.000 1.006 186 T HN 0.262 nan 8.240 nan 0.000 0.468 187 W N 0.006 121.201 121.300 -0.176 0.000 2.555 187 W HA 0.197 4.860 4.660 0.004 0.000 0.324 187 W C 2.111 178.577 176.519 -0.087 0.000 0.973 187 W CA -0.050 57.228 57.345 -0.112 0.000 1.481 187 W CB 0.129 29.539 29.460 -0.083 0.000 1.064 187 W HN 0.888 nan 8.180 nan 0.000 0.543 188 T N -2.244 112.356 114.554 0.077 0.000 3.113 188 T HA 0.200 4.552 4.350 0.004 0.000 0.256 188 T C 1.353 176.042 174.700 -0.018 0.000 1.131 188 T CA 0.349 62.470 62.100 0.034 0.000 1.074 188 T CB -0.389 68.494 68.868 0.025 0.000 0.944 188 T HN 0.025 nan 8.240 nan 0.000 0.516 189 G N 1.515 110.276 108.800 -0.065 0.000 2.202 189 G HA2 0.329 4.292 3.960 0.004 0.000 0.251 189 G HA3 0.329 4.292 3.960 0.004 0.000 0.251 189 G C -0.522 174.311 174.900 -0.112 0.000 1.219 189 G CA -0.339 44.697 45.100 -0.107 0.000 0.943 189 G HN 0.593 nan 8.290 nan 0.000 0.465 190 K N 1.947 122.259 120.400 -0.146 0.000 2.535 190 K HA 0.247 4.569 4.320 0.004 0.000 0.251 190 K C -0.156 176.322 176.600 -0.202 0.000 0.942 190 K CA -0.726 55.477 56.287 -0.140 0.000 0.798 190 K CB 1.697 34.146 32.500 -0.085 0.000 1.267 190 K HN 0.538 nan 8.250 nan 0.000 0.434 191 E N 2.609 122.707 120.200 -0.170 0.000 2.452 191 E HA -0.083 4.269 4.350 0.004 0.000 0.261 191 E C -0.582 175.937 176.600 -0.135 0.000 0.987 191 E CA 0.842 57.146 56.400 -0.161 0.000 0.926 191 E CB 0.353 29.990 29.700 -0.104 0.000 0.934 191 E HN 0.701 nan 8.360 nan 0.000 0.452 192 D N 2.116 122.442 120.400 -0.123 0.000 3.059 192 D HA -0.243 4.399 4.640 0.004 0.000 0.213 192 D C 0.468 176.768 176.300 0.000 0.000 1.144 192 D CA 1.578 55.596 54.000 0.029 0.000 0.975 192 D CB -0.880 39.961 40.800 0.070 0.000 1.125 192 D HN 0.513 nan 8.370 nan 0.000 0.412 193 I N -1.463 118.995 120.570 -0.187 0.000 3.814 193 I HA 0.077 4.249 4.170 0.004 0.000 0.264 193 I C 0.165 176.238 176.117 -0.073 0.000 1.145 193 I CA -0.031 61.233 61.300 -0.061 0.000 1.375 193 I CB 0.842 38.821 38.000 -0.035 0.000 1.638 193 I HN -0.178 nan 8.210 nan 0.000 0.432 194 I N 1.548 121.993 120.570 -0.210 0.000 2.439 194 I HA 0.281 4.454 4.170 0.004 0.000 0.285 194 I C -1.446 174.542 176.117 -0.214 0.000 1.021 194 I CA -0.431 60.819 61.300 -0.085 0.000 1.091 194 I CB 1.032 39.024 38.000 -0.013 0.000 1.242 194 I HN 0.040 nan 8.210 nan 0.000 0.439 195 Y N 4.749 125.146 120.300 0.161 0.000 2.342 195 Y HA 0.378 4.930 4.550 0.004 0.000 0.338 195 Y C 0.543 176.515 175.900 0.119 0.000 0.965 195 Y CA -0.544 57.657 58.100 0.168 0.000 1.159 195 Y CB 0.963 39.612 38.460 0.315 0.000 1.157 195 Y HN 0.412 nan 8.280 nan 0.000 0.486 196 N N 2.373 121.133 118.700 0.100 0.000 2.446 196 N HA 0.317 5.059 4.740 0.004 0.000 0.265 196 N C 0.776 176.212 175.510 -0.124 0.000 0.975 196 N CA 0.406 53.440 53.050 -0.028 0.000 0.928 196 N CB 1.873 40.244 38.487 -0.193 0.000 1.160 196 N HN 0.988 nan 8.380 nan 0.000 0.495 197 G N 1.673 110.415 108.800 -0.097 0.000 2.205 197 G HA2 -0.266 3.697 3.960 0.004 0.000 0.261 197 G HA3 -0.266 3.697 3.960 0.004 0.000 0.261 197 G C 0.126 174.864 174.900 -0.269 0.000 0.980 197 G CA 0.808 45.777 45.100 -0.217 0.000 0.632 197 G HN 0.663 nan 8.290 nan 0.000 0.533 198 I N -1.906 118.576 120.570 -0.147 0.000 2.969 198 I HA 0.824 4.996 4.170 0.004 0.000 0.307 198 I C 0.180 176.284 176.117 -0.021 0.000 1.149 198 I CA -0.664 60.445 61.300 -0.318 0.000 1.008 198 I CB 2.127 39.741 38.000 -0.643 0.000 1.232 198 I HN 0.198 nan 8.210 nan 0.000 0.435 199 T N -0.398 114.028 114.554 -0.213 0.000 2.909 199 T HA 0.352 4.704 4.350 0.004 0.000 0.286 199 T C -0.203 174.145 174.700 -0.586 0.000 1.002 199 T CA -0.700 61.103 62.100 -0.495 0.000 1.074 199 T CB 1.221 69.906 68.868 -0.305 0.000 0.984 199 T HN 0.789 nan 8.240 nan 0.000 0.495 200 D N 1.649 121.400 120.400 -1.082 0.000 2.377 200 D HA -0.043 4.599 4.640 0.004 0.000 0.245 200 D C 0.961 177.094 176.300 -0.277 0.000 1.196 200 D CA -0.899 52.533 54.000 -0.947 0.000 0.962 200 D CB 0.520 40.828 40.800 -0.820 0.000 1.127 200 D HN 0.763 nan 8.370 nan 0.000 0.471 201 W N 1.396 122.585 121.300 -0.185 0.000 2.304 201 W HA -0.273 4.390 4.660 0.004 0.000 0.315 201 W C 2.050 178.458 176.519 -0.187 0.000 1.233 201 W CA 2.467 59.717 57.345 -0.159 0.000 1.261 201 W CB -0.468 28.839 29.460 -0.254 0.000 1.150 201 W HN 0.250 nan 8.180 nan 0.000 0.494 202 V N -0.309 119.611 119.914 0.009 0.000 2.453 202 V HA -0.262 3.860 4.120 0.004 0.000 0.247 202 V C 1.889 177.797 176.094 -0.310 0.000 1.048 202 V CA 1.945 64.153 62.300 -0.155 0.000 1.049 202 V CB -0.720 31.101 31.823 -0.004 0.000 0.672 202 V HN 0.268 nan 8.190 nan 0.000 0.457 203 Y N 0.706 120.809 120.300 -0.329 0.000 2.242 203 Y HA -0.151 4.401 4.550 0.004 0.000 0.291 203 Y C 2.558 178.343 175.900 -0.192 0.000 1.137 203 Y CA 1.953 59.903 58.100 -0.249 0.000 1.181 203 Y CB -0.211 38.030 38.460 -0.366 0.000 0.989 203 Y HN 0.380 nan 8.280 nan 0.000 0.527 204 E N 0.351 120.472 120.200 -0.132 0.000 2.058 204 E HA -0.314 4.038 4.350 0.004 0.000 0.194 204 E C 2.000 178.499 176.600 -0.168 0.000 0.997 204 E CA 1.722 58.059 56.400 -0.105 0.000 0.801 204 E CB 0.004 29.646 29.700 -0.097 0.000 0.746 204 E HN 0.428 nan 8.360 nan 0.000 0.450 205 E N 0.011 119.923 120.200 -0.480 0.000 2.051 205 E HA -0.134 4.218 4.350 0.004 0.000 0.189 205 E C 1.671 178.114 176.600 -0.262 0.000 0.979 205 E CA 1.413 57.530 56.400 -0.472 0.000 0.803 205 E CB 0.200 29.257 29.700 -1.071 0.000 0.761 205 E HN 0.198 nan 8.360 nan 0.000 0.451 206 E N -0.865 119.155 120.200 -0.299 0.000 2.413 206 E HA 0.100 4.452 4.350 0.004 0.000 0.203 206 E C 1.720 178.168 176.600 -0.253 0.000 0.957 206 E CA 0.353 56.631 56.400 -0.204 0.000 0.950 206 E CB 0.945 30.518 29.700 -0.212 0.000 0.957 206 E HN 0.185 nan 8.360 nan 0.000 0.497 207 V N -0.392 119.326 119.914 -0.327 0.000 2.784 207 V HA 0.058 4.180 4.120 0.004 0.000 0.231 207 V C 1.484 177.341 176.094 -0.395 0.000 1.128 207 V CA 0.741 62.770 62.300 -0.453 0.000 1.178 207 V CB -0.398 31.024 31.823 -0.668 0.000 0.943 207 V HN 0.015 nan 8.190 nan 0.000 0.500 208 F N 0.651 120.585 119.950 -0.025 0.000 2.776 208 F HA 0.278 4.807 4.527 0.004 0.000 0.300 208 F C 1.524 177.259 175.800 -0.108 0.000 1.116 208 F CA 0.323 58.328 58.000 0.008 0.000 1.375 208 F CB -0.289 38.773 39.000 0.103 0.000 1.109 208 F HN 0.070 nan 8.300 nan 0.000 0.585 209 S N 0.756 116.423 115.700 -0.055 0.000 3.549 209 S HA -0.025 4.448 4.470 0.004 0.000 0.366 209 S C 0.042 174.130 174.600 -0.853 0.000 1.012 209 S CA 0.429 58.431 58.200 -0.330 0.000 1.141 209 S CB -1.626 61.484 63.200 -0.149 0.000 0.910 209 S HN 0.640 nan 8.310 nan 0.000 0.471 210 A N -0.592 121.955 122.820 -0.456 0.000 2.582 210 A HA 0.615 4.937 4.320 0.004 0.000 0.297 210 A C -0.411 177.102 177.584 -0.118 0.000 1.059 210 A CA -0.460 51.386 52.037 -0.318 0.000 0.705 210 A CB 0.411 19.282 19.000 -0.216 0.000 1.279 210 A HN 0.383 nan 8.150 nan 0.000 0.404 211 Y N 1.816 121.938 120.300 -0.297 0.000 2.475 211 Y HA 0.136 4.688 4.550 0.004 0.000 0.289 211 Y C 1.528 177.100 175.900 -0.546 0.000 1.121 211 Y CA 1.103 59.022 58.100 -0.302 0.000 1.257 211 Y CB 0.340 38.672 38.460 -0.213 0.000 1.026 211 Y HN 0.724 nan 8.280 nan 0.000 0.555 212 S N 0.777 115.908 115.700 -0.948 0.000 2.531 212 S HA 0.405 4.877 4.470 0.004 0.000 0.279 212 S C 0.088 174.092 174.600 -0.993 0.000 1.305 212 S CA 0.092 57.450 58.200 -1.403 0.000 1.058 212 S CB 0.968 63.017 63.200 -1.917 0.000 0.899 212 S HN 0.392 nan 8.310 nan 0.000 0.493 213 A N 5.845 128.090 122.820 -0.957 0.000 3.129 213 A HA 0.543 4.865 4.320 0.004 0.000 0.282 213 A C -0.640 176.212 177.584 -1.219 0.000 0.948 213 A CA -0.497 50.883 52.037 -1.094 0.000 1.027 213 A CB -0.074 18.734 19.000 -0.321 0.000 1.123 213 A HN 0.736 nan 8.150 nan 0.000 0.485 214 L N 0.332 120.739 121.223 -1.360 0.000 2.385 214 L HA 0.588 4.931 4.340 0.004 0.000 0.273 214 L C -1.170 175.206 176.870 -0.822 0.000 0.990 214 L CA -0.511 53.859 54.840 -0.784 0.000 0.821 214 L CB 1.979 43.788 42.059 -0.416 0.000 1.279 214 L HN 0.474 nan 8.230 nan 0.000 0.412 215 W N 2.638 123.957 121.300 0.033 0.000 2.563 215 W HA 0.233 4.895 4.660 0.004 0.000 0.301 215 W C -0.956 175.794 176.519 0.385 0.000 1.006 215 W CA -1.149 56.354 57.345 0.263 0.000 1.382 215 W CB 1.126 30.796 29.460 0.350 0.000 1.262 215 W HN 0.505 nan 8.180 nan 0.000 0.403 216 W N 2.392 123.906 121.300 0.356 0.000 2.170 216 W HA 0.127 4.789 4.660 0.004 0.000 0.342 216 W C 1.435 177.708 176.519 -0.410 0.000 1.294 216 W CA 0.500 57.896 57.345 0.085 0.000 1.246 216 W CB 0.596 30.083 29.460 0.044 0.000 1.156 216 W HN 0.176 nan 8.180 nan 0.000 0.572 217 S N 2.100 117.435 115.700 -0.608 0.000 2.608 217 S HA 0.174 4.647 4.470 0.004 0.000 0.261 217 S C -1.776 172.528 174.600 -0.494 0.000 1.314 217 S CA -1.037 56.257 58.200 -1.511 0.000 0.992 217 S CB 0.858 63.306 63.200 -1.254 0.000 0.935 217 S HN 0.286 nan 8.310 nan 0.000 0.564 218 P HA -0.091 nan 4.420 nan 0.000 0.218 218 P C 0.669 177.932 177.300 -0.061 0.000 1.148 218 P CA 1.349 64.409 63.100 -0.066 0.000 0.822 218 P CB -0.237 31.480 31.700 0.027 0.000 0.784 219 N N -2.220 116.425 118.700 -0.091 0.000 2.205 219 N HA 0.163 4.906 4.740 0.004 0.000 0.201 219 N C 1.098 176.525 175.510 -0.138 0.000 1.128 219 N CA 0.405 53.400 53.050 -0.091 0.000 0.867 219 N CB -0.700 37.749 38.487 -0.063 0.000 0.996 219 N HN 0.107 nan 8.380 nan 0.000 0.503 220 G N -0.848 107.872 108.800 -0.134 0.000 2.143 220 G HA2 -0.337 3.626 3.960 0.004 0.000 0.249 220 G HA3 -0.337 3.626 3.960 0.004 0.000 0.249 220 G C 0.931 175.827 174.900 -0.007 0.000 0.981 220 G CA 0.760 45.795 45.100 -0.109 0.000 0.665 220 G HN 0.354 nan 8.290 nan 0.000 0.528 221 T N -0.133 114.350 114.554 -0.117 0.000 2.708 221 T HA 0.140 4.492 4.350 0.004 0.000 0.266 221 T C 0.853 175.365 174.700 -0.313 0.000 1.037 221 T CA 1.423 63.349 62.100 -0.290 0.000 1.146 221 T CB -0.094 68.463 68.868 -0.518 0.000 0.865 221 T HN 0.325 nan 8.240 nan 0.000 0.435 222 F N 0.112 120.101 119.950 0.065 0.000 2.458 222 F HA 0.623 5.152 4.527 0.004 0.000 0.330 222 F C -0.239 175.668 175.800 0.179 0.000 1.082 222 F CA -1.628 56.462 58.000 0.150 0.000 0.995 222 F CB 1.144 40.313 39.000 0.281 0.000 1.170 222 F HN -0.116 nan 8.300 nan 0.000 0.478 223 L N 2.754 124.163 121.223 0.309 0.000 2.319 223 L HA 0.791 5.133 4.340 0.004 0.000 0.281 223 L C -0.595 176.373 176.870 0.163 0.000 1.005 223 L CA -0.565 54.284 54.840 0.014 0.000 0.828 223 L CB 0.707 42.536 42.059 -0.383 0.000 1.227 223 L HN 0.669 nan 8.230 nan 0.000 0.415 224 A N 5.063 128.038 122.820 0.258 0.000 2.305 224 A HA 0.757 5.079 4.320 0.004 0.000 0.322 224 A C -1.444 176.217 177.584 0.128 0.000 1.187 224 A CA -0.306 51.780 52.037 0.081 0.000 0.825 224 A CB 0.542 19.682 19.000 0.233 0.000 1.164 224 A HN 0.839 nan 8.150 nan 0.000 0.498 225 Y N -0.967 119.136 120.300 -0.328 0.000 2.581 225 Y HA 0.753 5.305 4.550 0.004 0.000 0.337 225 Y C -0.251 175.518 175.900 -0.218 0.000 1.108 225 Y CA -0.898 57.108 58.100 -0.157 0.000 1.033 225 Y CB 0.809 39.138 38.460 -0.219 0.000 1.318 225 Y HN 0.903 nan 8.280 nan 0.000 0.459 226 A N 2.539 125.465 122.820 0.177 0.000 2.282 226 A HA 0.666 4.988 4.320 0.004 0.000 0.319 226 A C -0.951 176.546 177.584 -0.144 0.000 1.121 226 A CA -0.763 51.236 52.037 -0.064 0.000 0.836 226 A CB 1.468 20.380 19.000 -0.147 0.000 1.146 226 A HN 0.833 nan 8.150 nan 0.000 0.494 227 Q N 0.480 120.079 119.800 -0.335 0.000 2.323 227 Q HA 0.592 4.934 4.340 0.004 0.000 0.271 227 Q C -2.170 173.583 176.000 -0.412 0.000 1.048 227 Q CA -0.380 55.334 55.803 -0.147 0.000 0.792 227 Q CB 1.240 30.135 28.738 0.262 0.000 1.280 227 Q HN 0.591 nan 8.270 nan 0.000 0.441 228 F N 2.395 122.459 119.950 0.190 0.000 2.444 228 F HA 0.394 4.924 4.527 0.004 0.000 0.342 228 F C 0.356 176.314 175.800 0.264 0.000 1.121 228 F CA -0.905 57.198 58.000 0.172 0.000 0.997 228 F CB 1.404 40.453 39.000 0.080 0.000 1.130 228 F HN 0.406 nan 8.300 nan 0.000 0.454 229 N N 2.364 121.278 118.700 0.356 0.000 2.437 229 N HA 0.192 4.934 4.740 0.004 0.000 0.259 229 N C -0.585 175.096 175.510 0.286 0.000 0.983 229 N CA -0.165 53.047 53.050 0.270 0.000 0.937 229 N CB 1.082 39.677 38.487 0.180 0.000 1.122 229 N HN 0.560 nan 8.380 nan 0.000 0.499 230 D N 1.425 122.002 120.400 0.294 0.000 2.395 230 D HA 0.102 4.745 4.640 0.004 0.000 0.213 230 D C 1.275 177.681 176.300 0.178 0.000 1.110 230 D CA 0.174 54.336 54.000 0.270 0.000 0.835 230 D CB 0.484 41.509 40.800 0.376 0.000 0.965 230 D HN 0.463 nan 8.370 nan 0.000 0.505 231 T N 0.623 115.259 114.554 0.138 0.000 2.620 231 T HA -0.231 4.121 4.350 0.004 0.000 0.267 231 T C 1.388 176.140 174.700 0.086 0.000 1.044 231 T CA 1.453 63.609 62.100 0.094 0.000 1.161 231 T CB -0.073 68.840 68.868 0.075 0.000 0.862 231 T HN 0.319 nan 8.240 nan 0.000 0.438 232 E N 0.207 120.461 120.200 0.090 0.000 2.474 232 E HA 0.165 4.517 4.350 0.004 0.000 0.195 232 E C -0.208 176.443 176.600 0.086 0.000 1.039 232 E CA -0.258 56.187 56.400 0.075 0.000 0.881 232 E CB 0.486 30.224 29.700 0.063 0.000 0.970 232 E HN 0.216 nan 8.360 nan 0.000 0.486 233 V N 4.078 124.058 119.914 0.112 0.000 2.572 233 V HA 0.072 4.194 4.120 0.004 0.000 0.291 233 V C -1.861 174.296 176.094 0.105 0.000 1.039 233 V CA -1.186 61.187 62.300 0.122 0.000 1.055 233 V CB 0.325 32.243 31.823 0.159 0.000 0.969 233 V HN 0.086 nan 8.190 nan 0.000 0.482 234 P HA 0.447 nan 4.420 nan 0.000 0.278 234 P C -1.110 176.232 177.300 0.071 0.000 1.266 234 P CA -0.655 62.487 63.100 0.070 0.000 0.807 234 P CB 0.815 32.550 31.700 0.058 0.000 1.094 235 L N 1.049 122.287 121.223 0.025 0.000 2.296 235 L HA 0.433 4.775 4.340 0.004 0.000 0.286 235 L C 0.434 177.252 176.870 -0.087 0.000 1.023 235 L CA -1.129 53.705 54.840 -0.009 0.000 0.812 235 L CB 1.136 43.181 42.059 -0.023 0.000 1.223 235 L HN 0.275 nan 8.230 nan 0.000 0.421 236 I N 3.097 123.567 120.570 -0.167 0.000 2.496 236 I HA 0.153 4.325 4.170 0.004 0.000 0.285 236 I C -0.149 175.797 176.117 -0.285 0.000 1.080 236 I CA 0.426 61.513 61.300 -0.355 0.000 1.404 236 I CB 0.421 37.909 38.000 -0.854 0.000 1.403 236 I HN 0.580 nan 8.210 nan 0.000 0.539 237 E N 7.622 127.680 120.200 -0.237 0.000 2.222 237 E HA 0.528 4.880 4.350 0.004 0.000 0.267 237 E C -1.719 174.795 176.600 -0.144 0.000 0.884 237 E CA -0.614 55.633 56.400 -0.255 0.000 0.764 237 E CB 2.005 31.596 29.700 -0.183 0.000 1.169 237 E HN 0.589 nan 8.360 nan 0.000 0.413 238 Y N -1.935 118.270 120.300 -0.158 0.000 2.609 238 Y HA 0.480 5.032 4.550 0.003 0.000 0.336 238 Y C -0.642 175.175 175.900 -0.138 0.000 1.129 238 Y CA -1.298 56.716 58.100 -0.144 0.000 1.040 238 Y CB 0.718 39.098 38.460 -0.133 0.000 1.310 238 Y HN 0.203 nan 8.280 nan 0.000 0.460 239 S N 1.858 117.530 115.700 -0.046 0.000 2.564 239 S HA 0.388 4.860 4.470 0.004 0.000 0.278 239 S C -1.220 173.198 174.600 -0.305 0.000 1.333 239 S CA -0.335 57.683 58.200 -0.303 0.000 1.048 239 S CB 0.119 62.979 63.200 -0.568 0.000 0.900 239 S HN 0.532 nan 8.310 nan 0.000 0.505 240 F N 2.381 122.055 119.950 -0.461 0.000 2.467 240 F HA 0.402 4.932 4.527 0.004 0.000 0.336 240 F C -0.081 175.461 175.800 -0.431 0.000 1.123 240 F CA -0.663 57.142 58.000 -0.325 0.000 0.964 240 F CB 0.864 39.808 39.000 -0.094 0.000 1.136 240 F HN 0.685 nan 8.300 nan 0.000 0.447 241 Y N 2.678 122.756 120.300 -0.369 0.000 2.503 241 Y HA 0.092 4.644 4.550 0.004 0.000 0.278 241 Y C 1.702 177.494 175.900 -0.180 0.000 1.111 241 Y CA 0.926 58.896 58.100 -0.216 0.000 1.270 241 Y CB -0.378 37.948 38.460 -0.224 0.000 1.063 241 Y HN 0.766 nan 8.280 nan 0.000 0.548 242 S N -0.020 115.513 115.700 -0.278 0.000 3.118 242 S HA -0.302 4.171 4.470 0.004 0.000 0.631 242 S C 0.000 174.607 174.600 0.011 0.000 2.944 242 S CA 0.649 58.834 58.200 -0.024 0.000 3.398 242 S CB -1.360 61.983 63.200 0.238 0.000 0.312 242 S HN 0.554 nan 8.310 nan 0.000 1.625 243 D N 1.250 121.692 120.400 0.071 0.000 2.382 243 D HA 0.120 4.762 4.640 0.004 0.000 0.240 243 D C 1.470 177.791 176.300 0.036 0.000 1.146 243 D CA 0.648 54.679 54.000 0.050 0.000 0.897 243 D CB 0.875 41.712 40.800 0.061 0.000 1.197 243 D HN 0.608 nan 8.370 nan 0.000 0.432 244 E N 1.183 121.394 120.200 0.019 0.000 2.187 244 E HA -0.260 4.093 4.350 0.004 0.000 0.199 244 E C 1.559 178.166 176.600 0.013 0.000 1.004 244 E CA 1.601 58.005 56.400 0.007 0.000 0.813 244 E CB 0.091 29.790 29.700 -0.001 0.000 0.736 244 E HN 0.483 nan 8.360 nan 0.000 0.468 245 S N 0.205 115.919 115.700 0.023 0.000 2.447 245 S HA -0.071 4.402 4.470 0.004 0.000 0.233 245 S C 1.194 175.816 174.600 0.037 0.000 1.006 245 S CA 0.034 58.250 58.200 0.026 0.000 0.957 245 S CB -0.225 62.993 63.200 0.030 0.000 0.773 245 S HN 0.295 nan 8.310 nan 0.000 0.507 246 L N 2.471 123.723 121.223 0.049 0.000 2.456 246 L HA 0.142 4.484 4.340 0.004 0.000 0.277 246 L C 1.550 178.451 176.870 0.051 0.000 1.124 246 L CA -0.059 54.821 54.840 0.068 0.000 0.880 246 L CB 0.817 42.929 42.059 0.089 0.000 1.192 246 L HN 0.399 nan 8.230 nan 0.000 0.463 247 Q N 4.053 123.889 119.800 0.059 0.000 2.046 247 Q HA -0.115 4.227 4.340 0.004 0.000 0.200 247 Q C -0.498 175.427 176.000 -0.125 0.000 0.975 247 Q CA 1.422 57.212 55.803 -0.020 0.000 0.836 247 Q CB 0.162 28.924 28.738 0.040 0.000 0.896 247 Q HN 0.619 nan 8.270 nan 0.000 0.428 248 Y N 1.047 121.358 120.300 0.019 0.000 2.342 248 Y HA 0.338 4.891 4.550 0.004 0.000 0.338 248 Y C -2.026 173.881 175.900 0.013 0.000 0.965 248 Y CA -2.890 55.218 58.100 0.014 0.000 1.159 248 Y CB 1.193 39.654 38.460 0.002 0.000 1.157 248 Y HN 0.197 nan 8.280 nan 0.000 0.486 249 P HA 0.036 nan 4.420 nan 0.000 0.268 249 P C -0.964 176.346 177.300 0.017 0.000 1.205 249 P CA -0.460 62.660 63.100 0.033 0.000 0.771 249 P CB 0.587 32.255 31.700 -0.054 0.000 0.858 250 K N 0.519 120.928 120.400 0.015 0.000 2.154 250 K HA 0.455 4.777 4.320 0.004 0.000 0.264 250 K C -0.358 176.204 176.600 -0.064 0.000 1.008 250 K CA -0.576 55.713 56.287 0.002 0.000 0.937 250 K CB 0.052 32.571 32.500 0.032 0.000 1.002 250 K HN 0.219 nan 8.250 nan 0.000 0.469 251 T N 1.934 116.433 114.554 -0.093 0.000 2.743 251 T HA 0.210 4.562 4.350 0.004 0.000 0.292 251 T C -0.186 174.382 174.700 -0.220 0.000 0.972 251 T CA -0.751 61.253 62.100 -0.159 0.000 0.967 251 T CB 0.853 69.641 68.868 -0.132 0.000 0.926 251 T HN 0.319 nan 8.240 nan 0.000 0.459 252 V N 5.445 125.130 119.914 -0.381 0.000 2.607 252 V HA 0.473 4.595 4.120 0.004 0.000 0.289 252 V C 0.363 176.145 176.094 -0.520 0.000 1.053 252 V CA -0.576 61.438 62.300 -0.476 0.000 0.996 252 V CB 0.927 32.350 31.823 -0.667 0.000 0.995 252 V HN 0.756 nan 8.190 nan 0.000 0.476 253 R N 3.335 123.665 120.500 -0.283 0.000 2.575 253 R HA 0.586 4.928 4.340 0.004 0.000 0.292 253 R C -1.711 174.549 176.300 -0.066 0.000 1.246 253 R CA -0.500 55.485 56.100 -0.191 0.000 0.973 253 R CB 1.886 32.114 30.300 -0.121 0.000 1.187 253 R HN 0.479 nan 8.270 nan 0.000 0.478 254 V N 3.647 123.522 119.914 -0.066 0.000 2.459 254 V HA 0.358 4.480 4.120 0.004 0.000 0.295 254 V C -2.187 173.951 176.094 0.073 0.000 1.029 254 V CA -2.592 59.738 62.300 0.049 0.000 0.874 254 V CB 1.992 33.794 31.823 -0.036 0.000 0.985 254 V HN 0.529 nan 8.190 nan 0.000 0.438 255 P HA 0.141 nan 4.420 nan 0.000 0.264 255 P C -1.295 176.121 177.300 0.193 0.000 1.236 255 P CA 0.454 63.660 63.100 0.178 0.000 0.811 255 P CB -0.324 31.523 31.700 0.245 0.000 0.840 256 Y N 6.539 126.835 120.300 -0.007 0.000 2.331 256 Y HA 0.449 5.002 4.550 0.004 0.000 0.326 256 Y C -2.634 173.270 175.900 0.007 0.000 1.020 256 Y CA -2.854 55.208 58.100 -0.063 0.000 1.136 256 Y CB 2.241 40.552 38.460 -0.249 0.000 1.157 256 Y HN 0.278 nan 8.280 nan 0.000 0.444 257 P HA 0.279 nan 4.420 nan 0.000 0.297 257 P C -1.291 176.096 177.300 0.145 0.000 1.342 257 P CA -0.445 62.724 63.100 0.116 0.000 0.801 257 P CB 1.360 33.114 31.700 0.091 0.000 0.920 258 K N 2.015 122.581 120.400 0.277 0.000 2.168 258 K HA 0.482 4.805 4.320 0.004 0.000 0.258 258 K C 0.558 177.284 176.600 0.209 0.000 1.010 258 K CA -0.612 55.850 56.287 0.292 0.000 0.929 258 K CB 0.430 33.109 32.500 0.299 0.000 0.998 258 K HN 0.482 nan 8.250 nan 0.000 0.479 259 A N 1.317 124.286 122.820 0.249 0.000 2.608 259 A HA 0.142 4.464 4.320 0.004 0.000 0.246 259 A C 1.363 179.011 177.584 0.107 0.000 0.998 259 A CA 1.201 53.372 52.037 0.223 0.000 0.796 259 A CB -1.279 17.928 19.000 0.345 0.000 0.895 259 A HN 0.961 nan 8.150 nan 0.000 0.508 260 G N 1.200 110.050 108.800 0.083 0.000 2.267 260 G HA2 0.074 4.036 3.960 0.004 0.000 0.257 260 G HA3 0.074 4.036 3.960 0.004 0.000 0.257 260 G C 0.833 175.763 174.900 0.050 0.000 0.998 260 G CA 0.978 46.097 45.100 0.033 0.000 0.620 260 G HN 2.360 nan 8.290 nan 0.000 0.529 261 A N -0.059 122.808 122.820 0.079 0.000 2.366 261 A HA 0.639 4.962 4.320 0.004 0.000 0.250 261 A C 0.951 178.582 177.584 0.078 0.000 1.099 261 A CA 0.486 52.572 52.037 0.081 0.000 0.794 261 A CB 0.467 19.531 19.000 0.108 0.000 1.056 261 A HN 1.218 nan 8.150 nan 0.000 0.499 262 V N 2.322 122.280 119.914 0.074 0.000 2.585 262 V HA 0.038 4.160 4.120 0.004 0.000 0.296 262 V C 0.448 176.601 176.094 0.098 0.000 1.035 262 V CA -0.056 62.286 62.300 0.071 0.000 1.084 262 V CB 0.115 31.976 31.823 0.064 0.000 0.953 262 V HN 0.828 nan 8.190 nan 0.000 0.483 263 N N 5.706 124.466 118.700 0.099 0.000 2.489 263 N HA 0.477 5.220 4.740 0.004 0.000 0.284 263 N C -2.460 173.158 175.510 0.181 0.000 1.158 263 N CA -1.607 51.533 53.050 0.149 0.000 0.965 263 N CB 1.284 39.861 38.487 0.150 0.000 1.195 263 N HN 0.390 nan 8.380 nan 0.000 0.506 264 P HA 0.062 nan 4.420 nan 0.000 0.269 264 P C -0.514 176.969 177.300 0.306 0.000 1.209 264 P CA -0.040 63.247 63.100 0.312 0.000 0.776 264 P CB 0.292 32.234 31.700 0.403 0.000 0.876 265 T N -1.187 113.514 114.554 0.245 0.000 2.952 265 T HA 0.585 4.937 4.350 0.004 0.000 0.286 265 T C -0.380 174.445 174.700 0.207 0.000 1.024 265 T CA -0.922 61.272 62.100 0.156 0.000 1.029 265 T CB 1.627 70.540 68.868 0.076 0.000 1.094 265 T HN 0.321 nan 8.240 nan 0.000 0.515 266 V N 0.798 120.812 119.914 0.166 0.000 2.686 266 V HA 0.653 4.775 4.120 0.004 0.000 0.306 266 V C -1.355 174.824 176.094 0.141 0.000 1.065 266 V CA -0.791 61.578 62.300 0.115 0.000 0.894 266 V CB 1.836 33.771 31.823 0.188 0.000 1.004 266 V HN 0.991 nan 8.190 nan 0.000 0.424 267 K N 5.197 125.599 120.400 0.004 0.000 2.259 267 K HA 0.582 4.904 4.320 0.004 0.000 0.249 267 K C -1.638 174.826 176.600 -0.227 0.000 0.942 267 K CA -0.514 55.714 56.287 -0.097 0.000 0.816 267 K CB 2.578 34.988 32.500 -0.150 0.000 1.155 267 K HN 0.584 nan 8.250 nan 0.000 0.428 268 F N 2.696 122.322 119.950 -0.540 0.000 2.482 268 F HA 0.532 5.061 4.527 0.004 0.000 0.331 268 F C -1.365 173.885 175.800 -0.917 0.000 1.115 268 F CA -0.702 56.964 58.000 -0.558 0.000 0.955 268 F CB 0.735 39.557 39.000 -0.298 0.000 1.136 268 F HN 0.374 nan 8.300 nan 0.000 0.452 269 F N 4.146 123.336 119.950 -1.267 0.000 2.588 269 F HA 0.738 5.267 4.527 0.004 0.000 0.314 269 F C -0.969 174.116 175.800 -1.192 0.000 1.069 269 F CA -1.187 56.156 58.000 -1.094 0.000 0.931 269 F CB 2.181 40.432 39.000 -1.249 0.000 1.260 269 F HN 0.098 nan 8.300 nan 0.000 0.465 270 V N 2.843 122.492 119.914 -0.441 0.000 2.577 270 V HA 0.502 4.624 4.120 0.004 0.000 0.303 270 V C -1.072 175.079 176.094 0.096 0.000 1.042 270 V CA -0.836 61.299 62.300 -0.274 0.000 0.872 270 V CB 1.881 33.335 31.823 -0.614 0.000 0.998 270 V HN 0.579 nan 8.190 nan 0.000 0.423 271 V N 4.446 124.487 119.914 0.212 0.000 2.513 271 V HA 0.522 4.644 4.120 0.004 0.000 0.299 271 V C 0.042 176.357 176.094 0.369 0.000 1.035 271 V CA -0.586 61.874 62.300 0.267 0.000 0.889 271 V CB 1.970 33.903 31.823 0.183 0.000 0.988 271 V HN 0.924 nan 8.190 nan 0.000 0.440 272 N N 3.881 122.792 118.700 0.352 0.000 2.421 272 N HA 0.055 4.797 4.740 0.004 0.000 0.260 272 N C 1.235 176.773 175.510 0.046 0.000 1.173 272 N CA 0.662 53.847 53.050 0.226 0.000 0.960 272 N CB 1.347 39.950 38.487 0.193 0.000 1.273 272 N HN 0.904 nan 8.380 nan 0.000 0.497 273 T N -0.968 113.599 114.554 0.022 0.000 3.072 273 T HA -0.009 4.343 4.350 0.004 0.000 0.266 273 T C 0.395 175.065 174.700 -0.049 0.000 1.127 273 T CA 0.645 62.757 62.100 0.021 0.000 1.107 273 T CB 0.107 69.074 68.868 0.164 0.000 0.910 273 T HN 0.234 nan 8.240 nan 0.000 0.513 274 D N 1.051 121.381 120.400 -0.116 0.000 2.881 274 D HA 0.354 4.996 4.640 0.004 0.000 0.240 274 D C 0.471 176.716 176.300 -0.092 0.000 1.249 274 D CA -0.021 53.909 54.000 -0.116 0.000 0.839 274 D CB 0.415 41.116 40.800 -0.166 0.000 1.042 274 D HN 0.377 nan 8.370 nan 0.000 0.475 275 S N -0.804 114.841 115.700 -0.091 0.000 2.551 275 S HA 0.056 4.528 4.470 0.004 0.000 0.276 275 S C 0.269 174.790 174.600 -0.132 0.000 1.051 275 S CA -0.419 57.737 58.200 -0.073 0.000 1.377 275 S CB 1.056 64.244 63.200 -0.020 0.000 1.208 275 S HN 0.070 nan 8.310 nan 0.000 0.656 276 L N 3.346 124.420 121.223 -0.248 0.000 2.654 276 L HA 0.229 4.572 4.340 0.004 0.000 0.271 276 L C 0.707 177.253 176.870 -0.540 0.000 1.169 276 L CA 0.479 55.022 54.840 -0.494 0.000 0.947 276 L CB -0.406 41.120 42.059 -0.888 0.000 1.232 276 L HN 0.164 nan 8.230 nan 0.000 0.486 277 S N 1.769 117.305 115.700 -0.273 0.000 2.586 277 S HA 0.285 4.758 4.470 0.004 0.000 0.274 277 S C 1.178 175.839 174.600 0.101 0.000 1.281 277 S CA -0.488 57.668 58.200 -0.072 0.000 1.035 277 S CB 0.938 64.136 63.200 -0.003 0.000 0.962 277 S HN 0.644 nan 8.310 nan 0.000 0.512 278 S N 2.887 118.746 115.700 0.265 0.000 2.527 278 S HA 0.026 4.498 4.470 0.004 0.000 0.222 278 S C 1.306 176.026 174.600 0.199 0.000 0.985 278 S CA 0.192 58.602 58.200 0.350 0.000 0.921 278 S CB 0.029 63.385 63.200 0.259 0.000 0.772 278 S HN 0.561 nan 8.310 nan 0.000 0.529 279 V N 1.194 121.190 119.914 0.137 0.000 2.721 279 V HA 0.086 4.209 4.120 0.004 0.000 0.236 279 V C 1.260 177.400 176.094 0.077 0.000 1.116 279 V CA 1.133 63.489 62.300 0.092 0.000 1.148 279 V CB -0.414 31.447 31.823 0.063 0.000 0.886 279 V HN 0.558 nan 8.190 nan 0.000 0.490 280 T N -0.414 114.176 114.554 0.061 0.000 2.882 280 T HA 0.301 4.653 4.350 0.004 0.000 0.287 280 T C -0.034 174.702 174.700 0.060 0.000 0.992 280 T CA -0.555 61.569 62.100 0.040 0.000 1.076 280 T CB 0.701 69.582 68.868 0.021 0.000 0.961 280 T HN 0.142 nan 8.240 nan 0.000 0.490 281 N N 1.915 120.639 118.700 0.040 0.000 2.357 281 N HA 0.251 4.994 4.740 0.004 0.000 0.257 281 N C 0.395 175.953 175.510 0.079 0.000 1.250 281 N CA 0.139 53.236 53.050 0.079 0.000 0.862 281 N CB 0.354 38.814 38.487 -0.044 0.000 1.066 281 N HN 0.992 nan 8.380 nan 0.000 0.468 282 A N 2.321 125.211 122.820 0.116 0.000 2.540 282 A HA 0.093 4.415 4.320 0.004 0.000 0.239 282 A C 0.707 178.330 177.584 0.064 0.000 1.061 282 A CA 0.259 52.333 52.037 0.061 0.000 0.758 282 A CB 0.014 19.038 19.000 0.040 0.000 0.991 282 A HN 0.537 nan 8.150 nan 0.000 0.502 283 T N 2.360 116.952 114.554 0.063 0.000 2.743 283 T HA 0.475 4.827 4.350 0.004 0.000 0.292 283 T C -0.110 174.657 174.700 0.112 0.000 0.972 283 T CA -0.332 61.815 62.100 0.078 0.000 0.967 283 T CB -0.196 68.720 68.868 0.081 0.000 0.926 283 T HN 0.571 nan 8.240 nan 0.000 0.459 284 S N 6.070 121.826 115.700 0.092 0.000 2.457 284 S HA 0.480 4.952 4.470 0.004 0.000 0.289 284 S C 0.017 174.746 174.600 0.215 0.000 1.163 284 S CA -0.835 57.439 58.200 0.124 0.000 1.078 284 S CB 0.389 63.580 63.200 -0.016 0.000 0.987 284 S HN 0.629 nan 8.310 nan 0.000 0.482 285 I N 3.365 124.088 120.570 0.256 0.000 2.325 285 I HA 0.227 4.399 4.170 0.004 0.000 0.291 285 I C 0.596 176.841 176.117 0.214 0.000 1.019 285 I CA -0.193 61.274 61.300 0.278 0.000 1.302 285 I CB 0.925 39.164 38.000 0.399 0.000 1.401 285 I HN 0.690 nan 8.210 nan 0.000 0.485 286 Q N 6.112 126.019 119.800 0.178 0.000 2.293 286 Q HA 0.474 4.817 4.340 0.004 0.000 0.251 286 Q C -1.086 174.870 176.000 -0.073 0.000 0.930 286 Q CA -0.328 55.399 55.803 -0.128 0.000 0.893 286 Q CB 1.220 29.853 28.738 -0.175 0.000 1.215 286 Q HN 0.551 nan 8.270 nan 0.000 0.425 287 I N 3.951 124.454 120.570 -0.112 0.000 2.354 287 I HA 0.211 4.383 4.170 0.004 0.000 0.286 287 I C 0.028 176.126 176.117 -0.032 0.000 1.007 287 I CA -0.666 60.634 61.300 -0.000 0.000 1.167 287 I CB 1.629 39.678 38.000 0.081 0.000 1.320 287 I HN 0.709 nan 8.210 nan 0.000 0.458 288 T N 3.126 117.621 114.554 -0.099 0.000 2.899 288 T HA 0.609 4.961 4.350 0.004 0.000 0.295 288 T C 0.473 174.945 174.700 -0.381 0.000 1.033 288 T CA -0.859 61.120 62.100 -0.202 0.000 1.084 288 T CB 1.427 70.182 68.868 -0.189 0.000 0.979 288 T HN 0.574 nan 8.240 nan 0.000 0.532 289 A N 3.212 125.552 122.820 -0.799 0.000 2.406 289 A HA 0.512 4.834 4.320 0.004 0.000 0.243 289 A C -2.085 174.956 177.584 -0.905 0.000 1.082 289 A CA -1.389 49.695 52.037 -1.589 0.000 0.786 289 A CB -0.976 16.605 19.000 -2.366 0.000 1.029 289 A HN 0.721 nan 8.150 nan 0.000 0.495 290 P HA 0.093 nan 4.420 nan 0.000 0.267 290 P C 0.838 177.923 177.300 -0.358 0.000 1.201 290 P CA 0.842 63.693 63.100 -0.416 0.000 0.775 290 P CB 0.508 32.034 31.700 -0.289 0.000 0.854 291 A N 2.636 125.321 122.820 -0.227 0.000 1.917 291 A HA -0.212 4.110 4.320 0.004 0.000 0.219 291 A C 1.964 179.447 177.584 -0.168 0.000 1.182 291 A CA 2.376 54.305 52.037 -0.180 0.000 0.633 291 A CB -1.779 17.147 19.000 -0.123 0.000 0.819 291 A HN 0.624 nan 8.150 nan 0.000 0.448 292 S N -1.684 113.935 115.700 -0.135 0.000 2.595 292 S HA 0.033 4.505 4.470 0.004 0.000 0.235 292 S C 1.368 175.900 174.600 -0.114 0.000 0.974 292 S CA 1.224 59.364 58.200 -0.100 0.000 0.942 292 S CB -0.141 63.059 63.200 -0.000 0.000 0.766 292 S HN 0.403 nan 8.310 nan 0.000 0.536 293 M N 0.200 119.664 119.600 -0.226 0.000 2.638 293 M HA 0.405 4.887 4.480 0.004 0.000 0.256 293 M C 1.608 177.728 176.300 -0.300 0.000 1.282 293 M CA 0.469 55.594 55.300 -0.291 0.000 1.155 293 M CB -0.810 31.446 32.600 -0.573 0.000 1.345 293 M HN 0.308 nan 8.290 nan 0.000 0.523 294 L N -0.109 120.912 121.223 -0.336 0.000 2.376 294 L HA -0.056 4.286 4.340 0.004 0.000 0.219 294 L C 2.212 179.044 176.870 -0.064 0.000 1.133 294 L CA 0.680 55.406 54.840 -0.191 0.000 0.816 294 L CB -0.503 41.427 42.059 -0.214 0.000 0.933 294 L HN 0.215 nan 8.230 nan 0.000 0.449 295 I N -0.272 120.250 120.570 -0.080 0.000 2.850 295 I HA -0.068 4.104 4.170 0.004 0.000 0.266 295 I C 0.982 177.082 176.117 -0.028 0.000 1.257 295 I CA 0.557 61.822 61.300 -0.058 0.000 1.465 295 I CB 0.064 38.016 38.000 -0.080 0.000 1.091 295 I HN 0.247 nan 8.210 nan 0.000 0.467 296 G N -0.892 107.912 108.800 0.007 0.000 2.488 296 G HA2 0.117 4.079 3.960 0.004 0.000 0.301 296 G HA3 0.117 4.079 3.960 0.004 0.000 0.301 296 G C -1.624 173.300 174.900 0.039 0.000 1.339 296 G CA -0.735 44.369 45.100 0.007 0.000 0.803 296 G HN -0.092 nan 8.290 nan 0.000 0.482 297 D N 1.766 122.136 120.400 -0.049 0.000 2.662 297 D HA 0.198 4.840 4.640 0.004 0.000 0.237 297 D C 0.812 177.003 176.300 -0.181 0.000 1.154 297 D CA 0.916 54.817 54.000 -0.164 0.000 0.861 297 D CB 0.024 40.719 40.800 -0.173 0.000 1.146 297 D HN 0.496 nan 8.370 nan 0.000 0.518 298 H N 0.378 119.341 119.070 -0.179 0.000 2.896 298 H HA 0.589 5.148 4.556 0.004 0.000 0.318 298 H C -0.878 174.325 175.328 -0.208 0.000 1.409 298 H CA -0.832 55.132 56.048 -0.141 0.000 1.328 298 H CB 0.684 30.477 29.762 0.051 0.000 1.940 298 H HN 0.242 nan 8.280 nan 0.000 0.665 299 Y N -0.190 120.387 120.300 0.462 0.000 2.470 299 Y HA 0.247 4.800 4.550 0.004 0.000 0.341 299 Y C -0.477 175.698 175.900 0.458 0.000 1.021 299 Y CA -0.983 57.367 58.100 0.417 0.000 1.025 299 Y CB 1.911 40.439 38.460 0.114 0.000 1.266 299 Y HN 0.477 nan 8.280 nan 0.000 0.448 300 L N 4.057 125.630 121.223 0.585 0.000 2.361 300 L HA 0.286 4.628 4.340 0.004 0.000 0.278 300 L C 0.700 177.611 176.870 0.067 0.000 1.113 300 L CA 0.147 54.940 54.840 -0.079 0.000 0.849 300 L CB 0.268 42.182 42.059 -0.241 0.000 1.155 300 L HN 1.014 nan 8.230 nan 0.000 0.452 301 C N 1.157 120.333 119.300 -0.208 0.000 3.403 301 C HA 0.579 5.041 4.460 0.004 0.000 0.317 301 C C 0.120 174.846 174.990 -0.440 0.000 1.346 301 C CA -0.101 58.714 59.018 -0.338 0.000 1.743 301 C CB -0.819 26.801 27.740 -0.200 0.000 2.308 301 C HN 0.870 nan 8.230 nan 0.000 0.675 302 D N -0.036 120.164 120.400 -0.332 0.000 2.886 302 D HA 0.548 5.190 4.640 0.004 0.000 0.216 302 D C -1.446 174.592 176.300 -0.436 0.000 1.256 302 D CA -0.122 53.734 54.000 -0.240 0.000 0.844 302 D CB 2.198 42.866 40.800 -0.219 0.000 1.669 302 D HN 0.048 nan 8.370 nan 0.000 0.513 303 V N 2.632 122.242 119.914 -0.506 0.000 2.487 303 V HA 0.758 4.880 4.120 0.004 0.000 0.298 303 V C -0.353 175.395 176.094 -0.577 0.000 1.028 303 V CA -0.437 61.310 62.300 -0.921 0.000 0.860 303 V CB 1.932 32.595 31.823 -1.933 0.000 0.991 303 V HN 0.725 nan 8.190 nan 0.000 0.427 304 T N 3.391 117.666 114.554 -0.464 0.000 3.109 304 T HA 0.349 4.701 4.350 0.004 0.000 0.311 304 T C -1.034 173.537 174.700 -0.215 0.000 1.011 304 T CA -0.467 61.523 62.100 -0.183 0.000 1.026 304 T CB 0.900 69.725 68.868 -0.072 0.000 1.047 304 T HN 0.540 nan 8.240 nan 0.000 0.448 305 W N 2.172 123.437 121.300 -0.059 0.000 2.238 305 W HA 0.512 5.174 4.660 0.004 0.000 0.321 305 W C 1.083 177.509 176.519 -0.154 0.000 1.293 305 W CA -0.303 57.000 57.345 -0.070 0.000 1.204 305 W CB 0.680 30.179 29.460 0.066 0.000 1.167 305 W HN 0.870 nan 8.180 nan 0.000 0.553 306 A N 1.949 124.688 122.820 -0.135 0.000 1.909 306 A HA 0.174 4.496 4.320 0.004 0.000 0.210 306 A C 1.029 178.566 177.584 -0.078 0.000 1.273 306 A CA 1.525 53.230 52.037 -0.553 0.000 0.654 306 A CB -0.568 17.627 19.000 -1.341 0.000 0.945 306 A HN 0.525 nan 8.150 nan 0.000 0.471 307 T N -5.083 109.518 114.554 0.079 0.000 2.633 307 T HA 0.369 4.721 4.350 0.004 0.000 0.262 307 T C 0.424 175.302 174.700 0.297 0.000 0.920 307 T CA -0.339 61.865 62.100 0.173 0.000 1.062 307 T CB 0.608 69.561 68.868 0.142 0.000 1.390 307 T HN 0.026 nan 8.240 nan 0.000 0.549 308 Q N 0.184 120.131 119.800 0.245 0.000 2.311 308 Q HA 0.122 4.464 4.340 0.004 0.000 0.203 308 Q C 0.899 177.185 176.000 0.477 0.000 0.954 308 Q CA 1.264 57.223 55.803 0.259 0.000 0.885 308 Q CB -0.004 28.836 28.738 0.169 0.000 0.963 308 Q HN 0.795 nan 8.270 nan 0.000 0.471 309 E N -0.224 120.246 120.200 0.450 0.000 2.714 309 E HA 0.166 4.518 4.350 0.004 0.000 0.219 309 E C -0.167 176.708 176.600 0.459 0.000 0.979 309 E CA -0.143 56.542 56.400 0.474 0.000 1.092 309 E CB 1.045 30.928 29.700 0.306 0.000 1.049 309 E HN -0.058 nan 8.360 nan 0.000 0.487 310 R N 1.574 122.330 120.500 0.426 0.000 2.476 310 R HA 0.518 4.860 4.340 0.004 0.000 0.305 310 R C -1.526 174.790 176.300 0.026 0.000 0.965 310 R CA -0.441 55.785 56.100 0.211 0.000 0.867 310 R CB 1.030 31.349 30.300 0.032 0.000 1.176 310 R HN 0.058 nan 8.270 nan 0.000 0.447 311 I N 3.096 123.536 120.570 -0.218 0.000 2.569 311 I HA 0.391 4.564 4.170 0.004 0.000 0.296 311 I C -0.730 175.068 176.117 -0.532 0.000 1.028 311 I CA -0.552 60.347 61.300 -0.667 0.000 1.082 311 I CB 2.205 39.399 38.000 -1.343 0.000 1.264 311 I HN 0.820 nan 8.210 nan 0.000 0.429 312 S N 7.163 122.526 115.700 -0.561 0.000 2.472 312 S HA 0.751 5.224 4.470 0.004 0.000 0.303 312 S C -1.012 173.256 174.600 -0.553 0.000 1.099 312 S CA -0.723 57.211 58.200 -0.443 0.000 1.077 312 S CB 1.746 64.771 63.200 -0.291 0.000 1.031 312 S HN 0.430 nan 8.310 nan 0.000 0.487 313 L N 2.572 123.487 121.223 -0.512 0.000 2.376 313 L HA 0.463 4.805 4.340 0.004 0.000 0.275 313 L C -0.136 176.405 176.870 -0.547 0.000 0.987 313 L CA -0.186 54.237 54.840 -0.696 0.000 0.828 313 L CB 2.044 43.632 42.059 -0.786 0.000 1.249 313 L HN 0.745 nan 8.230 nan 0.000 0.409 314 Q N 2.330 121.774 119.800 -0.594 0.000 2.257 314 Q HA 0.421 4.763 4.340 0.004 0.000 0.255 314 Q C -1.557 174.155 176.000 -0.480 0.000 0.920 314 Q CA -0.388 55.180 55.803 -0.392 0.000 0.927 314 Q CB 1.865 30.437 28.738 -0.277 0.000 1.229 314 Q HN 0.501 nan 8.270 nan 0.000 0.433 315 W N 2.498 123.732 121.300 -0.110 0.000 2.819 315 W HA 0.590 5.252 4.660 0.004 0.000 0.337 315 W C -0.762 175.769 176.519 0.020 0.000 1.077 315 W CA -0.457 56.866 57.345 -0.036 0.000 1.226 315 W CB 1.387 30.795 29.460 -0.086 0.000 1.419 315 W HN 0.340 nan 8.180 nan 0.000 0.502 316 L N 2.788 124.224 121.223 0.355 0.000 2.354 316 L HA 0.593 4.936 4.340 0.004 0.000 0.269 316 L C 0.238 177.291 176.870 0.304 0.000 1.005 316 L CA -1.207 53.805 54.840 0.287 0.000 0.819 316 L CB 1.954 44.182 42.059 0.282 0.000 1.311 316 L HN 0.456 nan 8.230 nan 0.000 0.423 317 R N 0.742 121.388 120.500 0.244 0.000 2.583 317 R HA 0.219 4.561 4.340 0.004 0.000 0.268 317 R C 0.896 177.247 176.300 0.084 0.000 1.101 317 R CA -0.169 56.020 56.100 0.149 0.000 1.180 317 R CB 0.789 31.169 30.300 0.133 0.000 1.128 317 R HN 0.517 nan 8.270 nan 0.000 0.568 318 R N 0.945 121.407 120.500 -0.064 0.000 2.115 318 R HA 0.027 4.369 4.340 0.004 0.000 0.226 318 R C 0.192 176.543 176.300 0.086 0.000 1.100 318 R CA 1.020 57.070 56.100 -0.085 0.000 0.980 318 R CB 0.011 30.210 30.300 -0.168 0.000 0.875 318 R HN 0.469 nan 8.270 nan 0.000 0.445 319 I N 2.698 123.306 120.570 0.063 0.000 2.311 319 I HA -0.002 4.170 4.170 0.004 0.000 0.297 319 I C 0.251 176.436 176.117 0.114 0.000 1.131 319 I CA 0.261 61.607 61.300 0.076 0.000 1.289 319 I CB 1.237 39.268 38.000 0.051 0.000 1.446 319 I HN 0.202 nan 8.210 nan 0.000 0.524 320 Q N 4.830 124.699 119.800 0.114 0.000 2.380 320 Q HA -0.029 4.314 4.340 0.004 0.000 0.254 320 Q C 0.569 176.663 176.000 0.156 0.000 0.927 320 Q CA -0.017 55.868 55.803 0.137 0.000 0.950 320 Q CB -0.370 28.410 28.738 0.070 0.000 1.206 320 Q HN 0.673 nan 8.270 nan 0.000 0.414 321 N N -0.941 117.849 118.700 0.150 0.000 2.187 321 N HA -0.043 4.699 4.740 0.004 0.000 0.212 321 N C -1.007 174.603 175.510 0.166 0.000 1.152 321 N CA -0.189 52.937 53.050 0.126 0.000 0.872 321 N CB 0.333 38.871 38.487 0.084 0.000 1.025 321 N HN 0.194 nan 8.380 nan 0.000 0.514 322 Y N 1.298 121.625 120.300 0.044 0.000 2.315 322 Y HA 0.488 5.040 4.550 0.004 0.000 0.324 322 Y C -1.052 174.880 175.900 0.054 0.000 1.062 322 Y CA -0.888 57.233 58.100 0.036 0.000 1.159 322 Y CB 1.273 39.746 38.460 0.022 0.000 1.145 322 Y HN 0.152 nan 8.280 nan 0.000 0.442 323 S N 4.267 119.846 115.700 -0.201 0.000 2.568 323 S HA 0.914 5.386 4.470 0.004 0.000 0.293 323 S C -1.812 172.667 174.600 -0.201 0.000 1.089 323 S CA -0.692 57.461 58.200 -0.078 0.000 0.945 323 S CB 1.990 65.180 63.200 -0.017 0.000 1.077 323 S HN 0.380 nan 8.310 nan 0.000 0.485 324 V N 3.496 123.391 119.914 -0.031 0.000 2.588 324 V HA 0.521 4.643 4.120 0.004 0.000 0.304 324 V C -0.427 175.686 176.094 0.031 0.000 1.042 324 V CA -0.679 61.608 62.300 -0.021 0.000 0.877 324 V CB 1.848 33.695 31.823 0.041 0.000 0.996 324 V HN 1.030 nan 8.190 nan 0.000 0.425 325 M N 3.960 123.548 119.600 -0.020 0.000 2.129 325 M HA 0.472 4.954 4.480 0.004 0.000 0.348 325 M C -1.168 175.125 176.300 -0.011 0.000 1.116 325 M CA -0.349 54.910 55.300 -0.069 0.000 1.022 325 M CB 1.026 33.506 32.600 -0.200 0.000 1.599 325 M HN 0.595 nan 8.290 nan 0.000 0.449 326 D N 5.089 125.480 120.400 -0.015 0.000 2.198 326 D HA 0.403 5.045 4.640 0.004 0.000 0.245 326 D C -0.976 175.269 176.300 -0.091 0.000 1.079 326 D CA -0.130 53.860 54.000 -0.016 0.000 0.854 326 D CB 1.509 42.324 40.800 0.026 0.000 1.148 326 D HN 0.531 nan 8.370 nan 0.000 0.456 327 I N 2.778 123.323 120.570 -0.042 0.000 2.312 327 I HA 0.160 4.332 4.170 0.004 0.000 0.290 327 I C -0.305 175.791 176.117 -0.037 0.000 1.008 327 I CA -0.246 61.013 61.300 -0.069 0.000 1.226 327 I CB 0.886 38.887 38.000 0.003 0.000 1.371 327 I HN 0.252 nan 8.210 nan 0.000 0.468 328 c N 4.555 123.120 118.600 -0.058 0.000 2.281 328 c HA 0.483 5.055 4.570 0.004 0.000 0.323 328 c C -0.160 174.069 174.090 0.233 0.000 1.270 328 c CA -0.895 55.478 56.329 0.073 0.000 1.559 328 c CB -0.146 42.390 42.510 0.043 0.000 2.239 328 c HN 0.655 nan 8.230 nan 0.000 0.488 329 D N 1.078 121.590 120.400 0.187 0.000 2.163 329 D HA 0.345 4.987 4.640 0.004 0.000 0.248 329 D C -0.436 175.810 176.300 -0.089 0.000 1.035 329 D CA -0.177 53.891 54.000 0.114 0.000 0.872 329 D CB 0.708 41.525 40.800 0.027 0.000 1.183 329 D HN 0.586 nan 8.370 nan 0.000 0.445 330 Y N 1.509 121.441 120.300 -0.613 0.000 2.336 330 Y HA 0.290 4.842 4.550 0.004 0.000 0.331 330 Y C -0.470 175.115 175.900 -0.524 0.000 1.211 330 Y CA -0.206 57.182 58.100 -1.187 0.000 1.346 330 Y CB 0.927 38.550 38.460 -1.395 0.000 1.271 330 Y HN 0.227 nan 8.280 nan 0.000 0.538 331 D N 4.758 124.337 120.400 -1.368 0.000 2.462 331 D HA 0.178 4.820 4.640 0.004 0.000 0.245 331 D C 0.335 175.982 176.300 -1.089 0.000 1.122 331 D CA -0.234 53.227 54.000 -0.898 0.000 0.864 331 D CB 1.029 41.540 40.800 -0.481 0.000 1.098 331 D HN 0.822 nan 8.370 nan 0.000 0.541 332 E N 1.049 120.825 120.200 -0.706 0.000 2.051 332 E HA -0.145 4.208 4.350 0.004 0.000 0.192 332 E C 1.334 177.819 176.600 -0.191 0.000 0.991 332 E CA 1.228 57.433 56.400 -0.326 0.000 0.799 332 E CB 0.229 29.889 29.700 -0.066 0.000 0.748 332 E HN 0.493 nan 8.360 nan 0.000 0.449 333 S N -0.578 115.020 115.700 -0.171 0.000 2.603 333 S HA 0.087 4.559 4.470 0.004 0.000 0.220 333 S C 1.630 176.163 174.600 -0.111 0.000 0.967 333 S CA 0.431 58.569 58.200 -0.104 0.000 0.920 333 S CB 0.724 63.877 63.200 -0.077 0.000 0.773 333 S HN -0.019 nan 8.310 nan 0.000 0.529 334 S N 0.244 115.839 115.700 -0.175 0.000 2.665 334 S HA 0.476 4.948 4.470 0.004 0.000 0.240 334 S C 1.538 176.070 174.600 -0.113 0.000 1.081 334 S CA 0.805 58.922 58.200 -0.139 0.000 0.887 334 S CB -0.212 62.888 63.200 -0.166 0.000 0.805 334 S HN 1.154 nan 8.310 nan 0.000 0.486 335 G N 1.651 110.337 108.800 -0.191 0.000 2.179 335 G HA2 -0.266 3.697 3.960 0.004 0.000 0.260 335 G HA3 -0.266 3.697 3.960 0.004 0.000 0.260 335 G C 0.066 174.995 174.900 0.048 0.000 0.977 335 G CA 0.697 45.785 45.100 -0.019 0.000 0.641 335 G HN 0.825 nan 8.290 nan 0.000 0.533 336 R N -1.485 118.958 120.500 -0.096 0.000 2.981 336 R HA 0.828 5.170 4.340 0.004 0.000 0.228 336 R C -0.950 175.270 176.300 -0.133 0.000 1.421 336 R CA -1.522 54.593 56.100 0.026 0.000 1.073 336 R CB 0.325 30.662 30.300 0.061 0.000 1.568 336 R HN 0.180 nan 8.270 nan 0.000 0.514 337 W N -0.209 121.109 121.300 0.031 0.000 2.471 337 W HA 0.504 5.166 4.660 0.004 0.000 0.318 337 W C -0.880 175.623 176.519 -0.028 0.000 1.034 337 W CA -0.402 56.949 57.345 0.010 0.000 1.224 337 W CB 1.598 31.061 29.460 0.006 0.000 1.335 337 W HN 0.544 nan 8.180 nan 0.000 0.452 338 N N 2.264 121.038 118.700 0.124 0.000 2.430 338 N HA 0.560 5.303 4.740 0.004 0.000 0.292 338 N C -1.339 174.214 175.510 0.073 0.000 1.051 338 N CA -0.557 52.529 53.050 0.060 0.000 0.917 338 N CB 1.026 39.508 38.487 -0.008 0.000 1.164 338 N HN 0.208 nan 8.380 nan 0.000 0.484 339 c N 3.117 121.740 118.600 0.038 0.000 2.521 339 c HA 0.318 4.890 4.570 0.004 0.000 0.291 339 c C -0.100 173.988 174.090 -0.004 0.000 1.074 339 c CA -1.236 55.103 56.329 0.017 0.000 1.495 339 c CB -0.929 41.581 42.510 0.001 0.000 1.862 339 c HN 0.571 nan 8.230 nan 0.000 0.418 340 L N 2.516 123.739 121.223 -0.001 0.000 2.578 340 L HA -0.011 4.331 4.340 0.004 0.000 0.279 340 L C 1.606 178.463 176.870 -0.021 0.000 1.227 340 L CA 0.690 55.524 54.840 -0.011 0.000 0.900 340 L CB 0.243 42.300 42.059 -0.004 0.000 1.144 340 L HN 0.600 nan 8.230 nan 0.000 0.496 341 V N 4.133 124.028 119.914 -0.032 0.000 2.720 341 V HA -0.270 3.852 4.120 0.004 0.000 0.256 341 V C 2.272 178.338 176.094 -0.046 0.000 1.082 341 V CA 1.741 64.016 62.300 -0.041 0.000 1.101 341 V CB -0.533 31.264 31.823 -0.044 0.000 0.693 341 V HN 0.992 nan 8.190 nan 0.000 0.479 342 A N -0.112 122.685 122.820 -0.039 0.000 1.968 342 A HA -0.121 4.201 4.320 0.004 0.000 0.217 342 A C 2.216 179.762 177.584 -0.064 0.000 1.169 342 A CA 0.976 52.985 52.037 -0.047 0.000 0.638 342 A CB -0.287 18.695 19.000 -0.029 0.000 0.812 342 A HN 0.446 nan 8.150 nan 0.000 0.446 343 R N 0.338 120.822 120.500 -0.028 0.000 2.313 343 R HA 0.080 4.422 4.340 0.004 0.000 0.199 343 R C 0.034 176.342 176.300 0.013 0.000 0.958 343 R CA 0.069 56.181 56.100 0.020 0.000 1.047 343 R CB -0.223 30.120 30.300 0.072 0.000 0.955 343 R HN 0.671 nan 8.270 nan 0.000 0.481 344 Q N 0.706 120.467 119.800 -0.065 0.000 2.352 344 Q HA 0.067 4.409 4.340 0.004 0.000 0.260 344 Q C -0.802 175.077 176.000 -0.202 0.000 0.976 344 Q CA 0.559 56.335 55.803 -0.045 0.000 0.881 344 Q CB 0.676 29.386 28.738 -0.046 0.000 1.235 344 Q HN 0.175 nan 8.270 nan 0.000 0.419 345 H N 0.961 119.998 119.070 -0.054 0.000 2.609 345 H HA 0.414 4.972 4.556 0.004 0.000 0.344 345 H C -0.855 174.408 175.328 -0.108 0.000 1.040 345 H CA -0.448 55.562 56.048 -0.064 0.000 1.216 345 H CB 0.959 30.651 29.762 -0.118 0.000 1.529 345 H HN 0.432 nan 8.280 nan 0.000 0.519 346 I N 1.924 122.482 120.570 -0.020 0.000 2.385 346 I HA 0.240 4.413 4.170 0.004 0.000 0.294 346 I C 0.108 176.155 176.117 -0.116 0.000 0.988 346 I CA -0.262 60.944 61.300 -0.157 0.000 1.265 346 I CB 1.357 39.219 38.000 -0.231 0.000 1.388 346 I HN 0.549 nan 8.210 nan 0.000 0.480 347 E N 7.886 127.973 120.200 -0.187 0.000 2.216 347 E HA 0.558 4.910 4.350 0.004 0.000 0.260 347 E C -1.096 175.402 176.600 -0.169 0.000 0.880 347 E CA -0.684 55.651 56.400 -0.108 0.000 0.765 347 E CB 1.282 30.949 29.700 -0.056 0.000 1.174 347 E HN 0.623 nan 8.360 nan 0.000 0.417 348 M N 1.194 120.725 119.600 -0.115 0.000 2.719 348 M HA 0.683 5.165 4.480 0.004 0.000 0.291 348 M C -1.182 175.088 176.300 -0.050 0.000 1.264 348 M CA -0.886 54.365 55.300 -0.081 0.000 0.811 348 M CB 2.401 34.972 32.600 -0.047 0.000 1.756 348 M HN 0.242 nan 8.290 nan 0.000 0.464 349 S N -0.351 115.316 115.700 -0.054 0.000 2.614 349 S HA 0.449 4.921 4.470 0.004 0.000 0.275 349 S C 0.179 174.699 174.600 -0.132 0.000 1.161 349 S CA -0.001 58.118 58.200 -0.135 0.000 0.969 349 S CB 1.708 64.765 63.200 -0.240 0.000 1.059 349 S HN 0.937 nan 8.310 nan 0.000 0.482 350 T N -0.064 114.406 114.554 -0.141 0.000 3.051 350 T HA 0.014 4.367 4.350 0.004 0.000 0.255 350 T C 1.565 176.167 174.700 -0.163 0.000 1.085 350 T CA 1.081 63.117 62.100 -0.107 0.000 1.109 350 T CB -0.434 68.393 68.868 -0.067 0.000 0.921 350 T HN 0.644 nan 8.240 nan 0.000 0.488 351 T N -2.023 112.358 114.554 -0.289 0.000 3.065 351 T HA 0.595 4.948 4.350 0.004 0.000 0.252 351 T C 1.158 175.511 174.700 -0.577 0.000 1.099 351 T CA 0.360 62.246 62.100 -0.356 0.000 1.063 351 T CB 0.227 68.890 68.868 -0.341 0.000 0.948 351 T HN 0.679 nan 8.240 nan 0.000 0.506 352 G N 0.476 108.844 108.800 -0.719 0.000 2.565 352 G HA2 0.441 4.403 3.960 0.004 0.000 0.142 352 G HA3 0.441 4.403 3.960 0.004 0.000 0.142 352 G C -1.710 173.070 174.900 -0.200 0.000 1.181 352 G CA -0.508 44.266 45.100 -0.544 0.000 1.066 352 G HN 0.516 nan 8.290 nan 0.000 0.530 353 W N -0.142 121.115 121.300 -0.072 0.000 2.481 353 W HA 0.813 5.476 4.660 0.004 0.000 0.369 353 W C -0.303 176.232 176.519 0.028 0.000 1.235 353 W CA -1.343 55.981 57.345 -0.035 0.000 1.344 353 W CB 1.142 30.540 29.460 -0.103 0.000 1.360 353 W HN 0.508 nan 8.180 nan 0.000 0.658 354 V N 2.841 122.852 119.914 0.162 0.000 2.483 354 V HA 0.822 4.944 4.120 0.004 0.000 0.295 354 V C 0.414 176.584 176.094 0.126 0.000 1.035 354 V CA 0.360 62.685 62.300 0.043 0.000 0.896 354 V CB 0.522 32.362 31.823 0.027 0.000 0.986 354 V HN 1.718 nan 8.190 nan 0.000 0.447 355 G N 5.746 114.573 108.800 0.044 0.000 2.829 355 G HA2 -0.216 3.746 3.960 0.004 0.000 0.628 355 G HA3 -0.216 3.746 3.960 0.004 0.000 0.628 355 G C 0.166 175.141 174.900 0.125 0.000 1.412 355 G CA 0.439 45.594 45.100 0.091 0.000 0.864 355 G HN 0.959 nan 8.290 nan 0.000 0.544 356 R N -0.911 119.671 120.500 0.137 0.000 2.055 356 R HA 0.210 4.552 4.340 0.004 0.000 0.228 356 R C 2.108 178.458 176.300 0.082 0.000 1.143 356 R CA 2.272 58.428 56.100 0.093 0.000 0.945 356 R CB -0.129 30.243 30.300 0.121 0.000 0.841 356 R HN 0.478 nan 8.270 nan 0.000 0.429 357 F N -1.129 118.959 119.950 0.231 0.000 2.778 357 F HA 0.275 4.804 4.527 0.003 0.000 0.314 357 F C 0.263 176.095 175.800 0.053 0.000 1.073 357 F CA -0.402 57.688 58.000 0.149 0.000 1.218 357 F CB 0.774 39.858 39.000 0.141 0.000 1.037 357 F HN -0.111 nan 8.300 nan 0.000 0.594 358 R N -0.816 119.824 120.500 0.234 0.000 2.690 358 R HA 0.431 4.774 4.340 0.004 0.000 0.269 358 R C -3.322 173.029 176.300 0.085 0.000 1.037 358 R CA -1.917 54.239 56.100 0.093 0.000 0.877 358 R CB 0.419 30.706 30.300 -0.022 0.000 1.255 358 R HN -0.347 nan 8.270 nan 0.000 0.467 359 P HA -0.068 nan 4.420 nan 0.000 0.262 359 P C -0.272 177.042 177.300 0.023 0.000 1.182 359 P CA 0.252 63.365 63.100 0.022 0.000 0.761 359 P CB 0.806 32.493 31.700 -0.023 0.000 0.795 360 S N 2.732 118.465 115.700 0.056 0.000 2.560 360 S HA 0.036 4.508 4.470 0.004 0.000 0.284 360 S C 0.346 174.976 174.600 0.050 0.000 1.327 360 S CA -0.607 57.645 58.200 0.087 0.000 1.055 360 S CB -0.006 63.267 63.200 0.122 0.000 0.868 360 S HN 0.438 nan 8.310 nan 0.000 0.506 361 E N 4.919 125.162 120.200 0.071 0.000 2.366 361 E HA 0.407 4.760 4.350 0.004 0.000 0.266 361 E C -2.769 173.839 176.600 0.013 0.000 1.051 361 E CA -2.082 54.319 56.400 0.001 0.000 0.884 361 E CB 0.321 30.022 29.700 0.002 0.000 1.006 361 E HN 0.396 nan 8.360 nan 0.000 0.417 362 P HA 0.312 nan 4.420 nan 0.000 0.285 362 P C -0.843 176.345 177.300 -0.186 0.000 1.269 362 P CA -0.487 62.550 63.100 -0.106 0.000 0.844 362 P CB 0.941 32.340 31.700 -0.502 0.000 1.094 363 H N 1.544 120.649 119.070 0.058 0.000 2.762 363 H HA 0.308 4.867 4.556 0.004 0.000 0.310 363 H C -0.603 174.849 175.328 0.208 0.000 1.004 363 H CA -0.292 55.864 56.048 0.180 0.000 1.267 363 H CB 0.392 30.270 29.762 0.194 0.000 1.437 363 H HN 0.313 nan 8.280 nan 0.000 0.498 364 F N 2.224 122.361 119.950 0.312 0.000 2.410 364 F HA 0.070 4.599 4.527 0.004 0.000 0.348 364 F C 1.261 177.237 175.800 0.293 0.000 1.106 364 F CA -0.573 57.604 58.000 0.295 0.000 1.163 364 F CB 1.130 40.240 39.000 0.183 0.000 1.129 364 F HN 0.347 nan 8.300 nan 0.000 0.516 365 T N 2.312 117.145 114.554 0.466 0.000 2.930 365 T HA 0.072 4.424 4.350 0.004 0.000 0.306 365 T C 1.299 176.184 174.700 0.309 0.000 1.045 365 T CA -0.792 61.529 62.100 0.368 0.000 1.134 365 T CB 0.873 69.944 68.868 0.339 0.000 0.961 365 T HN 0.662 nan 8.240 nan 0.000 0.545 366 L N 2.079 123.447 121.223 0.241 0.000 2.125 366 L HA -0.335 4.007 4.340 0.004 0.000 0.234 366 L C 2.146 179.125 176.870 0.183 0.000 1.110 366 L CA 2.926 57.882 54.840 0.194 0.000 0.832 366 L CB -1.011 41.139 42.059 0.151 0.000 0.922 366 L HN 0.977 nan 8.230 nan 0.000 0.449 367 D N -1.101 119.405 120.400 0.176 0.000 2.310 367 D HA 0.034 4.677 4.640 0.004 0.000 0.212 367 D C 1.614 178.014 176.300 0.167 0.000 0.965 367 D CA 0.946 55.038 54.000 0.153 0.000 0.879 367 D CB -0.758 40.123 40.800 0.135 0.000 0.921 367 D HN 0.680 nan 8.370 nan 0.000 0.510 368 G N 0.356 109.296 108.800 0.234 0.000 2.198 368 G HA2 -0.318 3.644 3.960 0.004 0.000 0.260 368 G HA3 -0.318 3.644 3.960 0.004 0.000 0.260 368 G C 0.641 175.720 174.900 0.298 0.000 1.025 368 G CA 0.371 45.628 45.100 0.261 0.000 0.769 368 G HN 0.395 nan 8.290 nan 0.000 0.507 369 N N -0.095 118.768 118.700 0.271 0.000 2.236 369 N HA 0.241 4.983 4.740 0.004 0.000 0.196 369 N C 0.222 175.844 175.510 0.186 0.000 1.114 369 N CA 0.841 54.019 53.050 0.213 0.000 0.859 369 N CB 0.722 39.293 38.487 0.139 0.000 0.982 369 N HN 0.425 nan 8.380 nan 0.000 0.493 370 S N -0.059 115.775 115.700 0.223 0.000 2.537 370 S HA 0.650 5.122 4.470 0.004 0.000 0.270 370 S C -1.038 173.559 174.600 -0.006 0.000 1.142 370 S CA -0.910 57.241 58.200 -0.081 0.000 0.870 370 S CB 1.610 64.653 63.200 -0.262 0.000 1.112 370 S HN 0.227 nan 8.310 nan 0.000 0.466 371 F N -0.833 118.807 119.950 -0.516 0.000 2.664 371 F HA 0.865 5.395 4.527 0.004 0.000 0.317 371 F C -1.854 173.685 175.800 -0.435 0.000 1.108 371 F CA -1.422 56.218 58.000 -0.599 0.000 0.957 371 F CB 0.880 39.033 39.000 -1.412 0.000 1.365 371 F HN 0.517 nan 8.300 nan 0.000 0.475 372 Y N 0.582 120.905 120.300 0.037 0.000 2.462 372 Y HA 0.633 5.186 4.550 0.004 0.000 0.346 372 Y C -0.781 175.244 175.900 0.207 0.000 0.976 372 Y CA -1.065 57.087 58.100 0.087 0.000 1.044 372 Y CB 2.368 40.888 38.460 0.100 0.000 1.230 372 Y HN 0.668 nan 8.280 nan 0.000 0.455 373 K N 1.459 122.083 120.400 0.374 0.000 2.498 373 K HA 0.649 4.972 4.320 0.004 0.000 0.254 373 K C -1.671 175.079 176.600 0.250 0.000 0.933 373 K CA -0.713 55.755 56.287 0.301 0.000 0.806 373 K CB 1.906 34.533 32.500 0.211 0.000 1.301 373 K HN 0.597 nan 8.250 nan 0.000 0.432 374 I N 4.297 124.985 120.570 0.197 0.000 2.517 374 I HA 0.216 4.388 4.170 0.004 0.000 0.285 374 I C 0.215 176.430 176.117 0.163 0.000 1.106 374 I CA -0.321 61.074 61.300 0.158 0.000 1.402 374 I CB 0.009 38.082 38.000 0.123 0.000 1.399 374 I HN 0.637 nan 8.210 nan 0.000 0.535 375 I N 2.016 122.709 120.570 0.206 0.000 3.042 375 I HA 0.495 4.667 4.170 0.004 0.000 0.310 375 I C -0.136 176.094 176.117 0.187 0.000 1.117 375 I CA -0.827 60.593 61.300 0.200 0.000 1.003 375 I CB 2.086 40.233 38.000 0.246 0.000 1.228 375 I HN 0.361 nan 8.210 nan 0.000 0.443 376 S N 2.717 118.475 115.700 0.097 0.000 2.533 376 S HA 0.185 4.657 4.470 0.004 0.000 0.282 376 S C 0.050 174.682 174.600 0.054 0.000 1.304 376 S CA -0.440 57.768 58.200 0.013 0.000 1.063 376 S CB -0.257 62.920 63.200 -0.037 0.000 0.881 376 S HN 0.844 nan 8.310 nan 0.000 0.493 377 N N 3.537 122.162 118.700 -0.125 0.000 2.443 377 N HA 0.140 4.883 4.740 0.004 0.000 0.294 377 N C 1.207 176.617 175.510 -0.166 0.000 1.289 377 N CA -0.164 52.667 53.050 -0.366 0.000 0.966 377 N CB -0.066 37.784 38.487 -1.061 0.000 1.122 377 N HN 0.646 nan 8.380 nan 0.000 0.569 378 E N -0.753 119.335 120.200 -0.186 0.000 2.150 378 E HA -0.170 4.183 4.350 0.004 0.000 0.193 378 E C 0.405 176.956 176.600 -0.081 0.000 0.985 378 E CA 1.252 57.600 56.400 -0.086 0.000 0.814 378 E CB -0.382 29.279 29.700 -0.064 0.000 0.752 378 E HN 0.652 nan 8.360 nan 0.000 0.466 379 E N 0.259 120.406 120.200 -0.087 0.000 2.489 379 E HA 0.094 4.446 4.350 0.004 0.000 0.193 379 E C 0.941 177.519 176.600 -0.035 0.000 1.057 379 E CA 0.711 57.104 56.400 -0.012 0.000 0.866 379 E CB 0.511 30.244 29.700 0.055 0.000 0.916 379 E HN 0.537 nan 8.360 nan 0.000 0.500 380 G N 0.793 109.532 108.800 -0.102 0.000 2.157 380 G HA2 -0.274 3.688 3.960 0.004 0.000 0.239 380 G HA3 -0.274 3.688 3.960 0.004 0.000 0.239 380 G C -0.158 174.532 174.900 -0.350 0.000 0.982 380 G CA -0.091 44.882 45.100 -0.212 0.000 0.650 380 G HN 0.215 nan 8.290 nan 0.000 0.527 381 Y N 0.903 121.091 120.300 -0.187 0.000 2.310 381 Y HA 0.575 5.127 4.550 0.004 0.000 0.326 381 Y C 1.386 177.110 175.900 -0.294 0.000 1.151 381 Y CA -0.647 57.310 58.100 -0.239 0.000 1.195 381 Y CB 0.802 39.127 38.460 -0.226 0.000 1.210 381 Y HN 0.042 nan 8.280 nan 0.000 0.483 382 R N 4.008 124.366 120.500 -0.236 0.000 2.248 382 R HA 0.227 4.569 4.340 0.004 0.000 0.337 382 R C -0.871 175.175 176.300 -0.423 0.000 1.106 382 R CA -0.219 55.752 56.100 -0.215 0.000 0.959 382 R CB -0.057 30.173 30.300 -0.117 0.000 1.075 382 R HN 0.655 nan 8.270 nan 0.000 0.480 383 H N 1.927 120.941 119.070 -0.093 0.000 2.771 383 H HA 0.356 4.914 4.556 0.004 0.000 0.367 383 H C 0.440 175.821 175.328 0.089 0.000 1.172 383 H CA -1.004 54.970 56.048 -0.123 0.000 1.186 383 H CB 1.886 31.461 29.762 -0.311 0.000 1.790 383 H HN 0.300 nan 8.280 nan 0.000 0.556 384 I N 1.070 121.718 120.570 0.131 0.000 2.588 384 I HA -0.018 4.154 4.170 0.004 0.000 0.283 384 I C 0.376 176.556 176.117 0.105 0.000 1.119 384 I CA 0.348 61.700 61.300 0.086 0.000 1.419 384 I CB 0.387 38.348 38.000 -0.064 0.000 1.394 384 I HN 0.181 nan 8.210 nan 0.000 0.562 385 c N 6.660 125.261 118.600 0.002 0.000 2.441 385 c HA 0.357 4.930 4.570 0.004 0.000 0.318 385 c C -0.317 173.581 174.090 -0.320 0.000 1.222 385 c CA -0.664 55.438 56.329 -0.378 0.000 1.474 385 c CB 0.830 42.862 42.510 -0.797 0.000 2.125 385 c HN 0.697 nan 8.230 nan 0.000 0.479 386 Y N 4.275 124.217 120.300 -0.597 0.000 2.336 386 Y HA 0.580 5.132 4.550 0.004 0.000 0.335 386 Y C -0.795 174.581 175.900 -0.872 0.000 1.046 386 Y CA -0.005 57.668 58.100 -0.712 0.000 1.198 386 Y CB 0.380 38.504 38.460 -0.560 0.000 1.182 386 Y HN 0.652 nan 8.280 nan 0.000 0.502 387 F N 4.030 123.154 119.950 -1.376 0.000 2.532 387 F HA 0.397 4.926 4.527 0.004 0.000 0.321 387 F C -0.609 174.421 175.800 -1.283 0.000 1.089 387 F CA -0.860 56.345 58.000 -1.324 0.000 0.926 387 F CB 1.825 39.583 39.000 -2.072 0.000 1.168 387 F HN 0.356 nan 8.300 nan 0.000 0.459 388 Q N 4.112 123.608 119.800 -0.507 0.000 2.325 388 Q HA 0.283 4.625 4.340 0.004 0.000 0.262 388 Q C 1.019 177.035 176.000 0.026 0.000 0.968 388 Q CA -0.553 55.083 55.803 -0.278 0.000 0.877 388 Q CB 2.153 30.790 28.738 -0.168 0.000 1.253 388 Q HN 0.637 nan 8.270 nan 0.000 0.448 389 I N 1.661 122.310 120.570 0.132 0.000 2.191 389 I HA -0.346 3.826 4.170 0.004 0.000 0.248 389 I C 1.079 177.385 176.117 0.316 0.000 1.061 389 I CA 1.875 63.371 61.300 0.326 0.000 1.329 389 I CB -0.292 37.869 38.000 0.269 0.000 1.024 389 I HN 0.599 nan 8.210 nan 0.000 0.423 390 D N -0.001 120.498 120.400 0.165 0.000 2.346 390 D HA 0.044 4.686 4.640 0.004 0.000 0.206 390 D C 0.733 177.062 176.300 0.048 0.000 1.001 390 D CA 0.435 54.490 54.000 0.092 0.000 0.871 390 D CB 0.339 41.172 40.800 0.055 0.000 0.943 390 D HN 0.340 nan 8.370 nan 0.000 0.518 391 K N 1.023 121.465 120.400 0.069 0.000 2.159 391 K HA 0.189 4.511 4.320 0.004 0.000 0.266 391 K C 1.131 177.759 176.600 0.046 0.000 0.975 391 K CA -0.464 55.837 56.287 0.023 0.000 0.865 391 K CB 2.559 35.052 32.500 -0.012 0.000 1.087 391 K HN -0.237 nan 8.250 nan 0.000 0.446 392 K N 1.722 122.109 120.400 -0.022 0.000 2.057 392 K HA -0.109 4.213 4.320 0.004 0.000 0.207 392 K C -0.325 176.303 176.600 0.047 0.000 1.049 392 K CA 1.406 57.678 56.287 -0.024 0.000 0.931 392 K CB 0.247 32.718 32.500 -0.048 0.000 0.714 392 K HN 0.551 nan 8.250 nan 0.000 0.440 393 D N 1.234 121.613 120.400 -0.034 0.000 2.210 393 D HA 0.104 4.747 4.640 0.004 0.000 0.249 393 D C -0.213 175.910 176.300 -0.295 0.000 1.078 393 D CA -0.288 53.636 54.000 -0.126 0.000 0.875 393 D CB 1.386 42.120 40.800 -0.110 0.000 1.175 393 D HN 0.339 nan 8.370 nan 0.000 0.440 394 c N 0.585 118.838 118.600 -0.578 0.000 2.401 394 c HA 0.869 5.441 4.570 0.004 0.000 0.356 394 c C 0.380 174.074 174.090 -0.661 0.000 1.192 394 c CA -0.755 55.020 56.329 -0.923 0.000 2.028 394 c CB 0.875 42.192 42.510 -1.989 0.000 2.344 394 c HN 0.614 nan 8.230 nan 0.000 0.525 395 T N -0.457 113.777 114.554 -0.533 0.000 2.797 395 T HA 0.589 4.941 4.350 0.004 0.000 0.279 395 T C -0.792 173.659 174.700 -0.414 0.000 0.991 395 T CA -0.231 61.663 62.100 -0.343 0.000 0.979 395 T CB 0.608 69.406 68.868 -0.117 0.000 0.943 395 T HN 0.509 nan 8.240 nan 0.000 0.444 396 F N 2.811 122.625 119.950 -0.227 0.000 2.504 396 F HA 0.287 4.816 4.527 0.004 0.000 0.369 396 F C 1.694 177.314 175.800 -0.300 0.000 1.082 396 F CA -1.174 56.680 58.000 -0.242 0.000 1.216 396 F CB 0.535 39.405 39.000 -0.217 0.000 1.108 396 F HN 0.670 nan 8.300 nan 0.000 0.554 397 I N -0.384 120.055 120.570 -0.217 0.000 3.783 397 I HA 0.165 4.337 4.170 0.004 0.000 0.310 397 I C 0.413 176.384 176.117 -0.243 0.000 1.274 397 I CA 0.235 61.239 61.300 -0.493 0.000 1.294 397 I CB -0.068 37.389 38.000 -0.905 0.000 1.051 397 I HN 0.506 nan 8.210 nan 0.000 0.435 398 T N 0.233 114.681 114.554 -0.176 0.000 2.916 398 T HA 0.786 5.138 4.350 0.004 0.000 0.292 398 T C -0.705 173.640 174.700 -0.592 0.000 1.055 398 T CA -0.665 61.303 62.100 -0.221 0.000 1.009 398 T CB 2.528 71.320 68.868 -0.126 0.000 1.118 398 T HN 0.354 nan 8.240 nan 0.000 0.497 399 K N -0.217 119.676 120.400 -0.845 0.000 2.555 399 K HA 0.941 5.263 4.320 0.004 0.000 0.279 399 K C -0.151 175.780 176.600 -1.114 0.000 0.986 399 K CA -0.303 55.197 56.287 -1.312 0.000 0.880 399 K CB 1.083 33.192 32.500 -0.651 0.000 1.474 399 K HN 1.603 nan 8.250 nan 0.000 0.433 400 G N -0.553 107.652 108.800 -0.991 0.000 2.347 400 G HA2 0.189 4.151 3.960 0.004 0.000 0.477 400 G HA3 0.189 4.151 3.960 0.004 0.000 0.477 400 G C -1.009 173.382 174.900 -0.850 0.000 1.349 400 G CA -0.384 44.325 45.100 -0.653 0.000 1.000 400 G HN 1.323 nan 8.290 nan 0.000 0.605 401 T N -0.342 113.830 114.554 -0.636 0.000 3.945 401 T HA 0.577 4.930 4.350 0.004 0.000 0.306 401 T C 0.221 174.725 174.700 -0.326 0.000 1.475 401 T CA 0.598 62.112 62.100 -0.977 0.000 1.177 401 T CB -0.902 67.629 68.868 -0.562 0.000 1.272 401 T HN 1.605 nan 8.240 nan 0.000 0.930 402 W N -0.244 120.862 121.300 -0.324 0.000 2.881 402 W HA 0.620 5.282 4.660 0.004 0.000 0.380 402 W C -1.567 174.932 176.519 -0.033 0.000 1.170 402 W CA -0.952 56.362 57.345 -0.051 0.000 1.171 402 W CB 0.570 30.002 29.460 -0.047 0.000 1.464 402 W HN 0.231 nan 8.180 nan 0.000 0.574 403 E N 0.670 121.034 120.200 0.274 0.000 2.340 403 E HA 0.446 4.798 4.350 0.004 0.000 0.273 403 E C -1.278 175.432 176.600 0.184 0.000 0.891 403 E CA -1.144 55.231 56.400 -0.043 0.000 0.757 403 E CB 3.449 33.182 29.700 0.056 0.000 1.231 403 E HN 0.162 nan 8.360 nan 0.000 0.439 404 V N 4.091 123.988 119.914 -0.028 0.000 2.455 404 V HA 0.020 4.143 4.120 0.004 0.000 0.273 404 V C 1.276 177.474 176.094 0.172 0.000 1.045 404 V CA -0.019 62.375 62.300 0.156 0.000 0.976 404 V CB 0.581 32.400 31.823 -0.008 0.000 0.993 404 V HN 0.698 nan 8.190 nan 0.000 0.475 405 I N 3.339 124.042 120.570 0.222 0.000 2.333 405 I HA 0.200 4.372 4.170 0.004 0.000 0.246 405 I C 1.119 177.355 176.117 0.199 0.000 1.106 405 I CA 1.254 62.669 61.300 0.193 0.000 1.411 405 I CB -0.707 37.343 38.000 0.084 0.000 1.082 405 I HN 0.763 nan 8.210 nan 0.000 0.420 406 G N 0.848 109.767 108.800 0.197 0.000 2.658 406 G HA2 0.421 4.383 3.960 0.004 0.000 0.301 406 G HA3 0.421 4.383 3.960 0.004 0.000 0.301 406 G C -1.005 173.984 174.900 0.148 0.000 1.481 406 G CA -0.649 44.558 45.100 0.179 0.000 0.931 406 G HN -0.032 nan 8.290 nan 0.000 0.573 407 I N 1.732 122.324 120.570 0.036 0.000 2.556 407 I HA 0.174 4.346 4.170 0.004 0.000 0.284 407 I C 0.901 176.933 176.117 -0.141 0.000 1.114 407 I CA -0.201 61.005 61.300 -0.157 0.000 1.418 407 I CB 1.341 38.994 38.000 -0.579 0.000 1.394 407 I HN 0.519 nan 8.210 nan 0.000 0.552 408 E N 4.610 124.780 120.200 -0.050 0.000 2.332 408 E HA 0.357 4.709 4.350 0.004 0.000 0.202 408 E C -0.064 176.470 176.600 -0.110 0.000 0.877 408 E CA 0.220 56.647 56.400 0.044 0.000 0.979 408 E CB 0.946 30.765 29.700 0.199 0.000 0.969 408 E HN 0.678 nan 8.360 nan 0.000 0.495 409 A N 0.790 123.446 122.820 -0.273 0.000 2.577 409 A HA 0.561 4.883 4.320 0.004 0.000 0.297 409 A C -1.988 175.507 177.584 -0.148 0.000 1.060 409 A CA -0.659 51.154 52.037 -0.373 0.000 0.697 409 A CB 1.127 19.391 19.000 -1.227 0.000 1.281 409 A HN 0.045 nan 8.150 nan 0.000 0.402 410 L N 2.390 123.591 121.223 -0.036 0.000 2.372 410 L HA 0.735 5.077 4.340 0.004 0.000 0.273 410 L C 0.413 177.326 176.870 0.073 0.000 0.989 410 L CA 0.422 55.272 54.840 0.017 0.000 0.841 410 L CB 1.534 43.645 42.059 0.088 0.000 1.225 410 L HN 1.089 nan 8.230 nan 0.000 0.414 411 T N 0.218 114.817 114.554 0.075 0.000 2.902 411 T HA 0.408 4.760 4.350 0.004 0.000 0.287 411 T C 1.098 175.851 174.700 0.089 0.000 1.048 411 T CA 0.143 62.307 62.100 0.106 0.000 0.941 411 T CB 0.904 69.870 68.868 0.162 0.000 1.432 411 T HN 0.629 nan 8.240 nan 0.000 0.586 412 S N -0.619 115.129 115.700 0.080 0.000 2.478 412 S HA 0.046 4.518 4.470 0.004 0.000 0.222 412 S C 0.797 175.387 174.600 -0.016 0.000 1.008 412 S CA 0.284 58.517 58.200 0.056 0.000 0.928 412 S CB -0.332 62.904 63.200 0.059 0.000 0.781 412 S HN 0.731 nan 8.310 nan 0.000 0.518 413 D N -0.413 119.954 120.400 -0.055 0.000 2.379 413 D HA 0.225 4.867 4.640 0.004 0.000 0.218 413 D C -0.414 175.552 176.300 -0.557 0.000 1.006 413 D CA 0.550 54.378 54.000 -0.287 0.000 0.893 413 D CB 0.090 40.734 40.800 -0.260 0.000 1.019 413 D HN 0.457 nan 8.370 nan 0.000 0.503 414 Y N 0.038 120.268 120.300 -0.116 0.000 2.504 414 Y HA 0.365 4.917 4.550 0.004 0.000 0.344 414 Y C -0.599 175.087 175.900 -0.356 0.000 1.023 414 Y CA -1.153 56.779 58.100 -0.279 0.000 1.020 414 Y CB 2.594 40.772 38.460 -0.471 0.000 1.282 414 Y HN -0.218 nan 8.280 nan 0.000 0.454 415 L N 3.812 124.907 121.223 -0.212 0.000 2.295 415 L HA 0.502 4.844 4.340 0.004 0.000 0.285 415 L C -1.754 174.933 176.870 -0.304 0.000 1.035 415 L CA -0.694 53.985 54.840 -0.268 0.000 0.806 415 L CB 0.719 42.575 42.059 -0.339 0.000 1.214 415 L HN 0.681 nan 8.230 nan 0.000 0.426 416 Y N 5.628 125.872 120.300 -0.092 0.000 2.335 416 Y HA 0.478 5.030 4.550 0.004 0.000 0.338 416 Y C -0.164 175.745 175.900 0.015 0.000 0.977 416 Y CA -0.456 57.592 58.100 -0.086 0.000 1.114 416 Y CB 1.371 39.686 38.460 -0.241 0.000 1.182 416 Y HN 0.548 nan 8.280 nan 0.000 0.463 417 Y N 0.565 120.932 120.300 0.111 0.000 2.609 417 Y HA 0.860 5.412 4.550 0.004 0.000 0.342 417 Y C -1.556 174.437 175.900 0.156 0.000 1.058 417 Y CA -1.923 56.233 58.100 0.093 0.000 1.055 417 Y CB 1.281 39.776 38.460 0.057 0.000 1.292 417 Y HN 0.412 nan 8.280 nan 0.000 0.476 418 I N 2.859 123.565 120.570 0.227 0.000 2.441 418 I HA 0.626 4.799 4.170 0.004 0.000 0.295 418 I C -0.376 175.910 176.117 0.282 0.000 0.994 418 I CA -0.461 60.922 61.300 0.138 0.000 1.144 418 I CB 2.012 40.059 38.000 0.078 0.000 1.314 418 I HN 0.886 nan 8.210 nan 0.000 0.445 419 S N 3.092 118.933 115.700 0.234 0.000 2.625 419 S HA 0.392 4.864 4.470 0.004 0.000 0.271 419 S C -0.714 173.965 174.600 0.132 0.000 1.161 419 S CA -0.883 57.473 58.200 0.260 0.000 0.820 419 S CB 1.667 65.091 63.200 0.374 0.000 1.137 419 S HN 0.650 nan 8.310 nan 0.000 0.470 420 N N -0.184 118.593 118.700 0.128 0.000 2.380 420 N HA 0.171 4.914 4.740 0.004 0.000 0.255 420 N C 0.483 175.992 175.510 -0.001 0.000 1.158 420 N CA -0.362 52.716 53.050 0.046 0.000 0.878 420 N CB 0.403 38.904 38.487 0.022 0.000 1.138 420 N HN 0.790 nan 8.380 nan 0.000 0.509 421 E N -0.020 120.058 120.200 -0.204 0.000 2.112 421 E HA -0.144 4.208 4.350 0.004 0.000 0.190 421 E C -0.431 176.001 176.600 -0.280 0.000 0.979 421 E CA 0.002 56.014 56.400 -0.647 0.000 0.814 421 E CB -0.045 28.589 29.700 -1.777 0.000 0.762 421 E HN 0.522 nan 8.360 nan 0.000 0.460 422 Y N 2.363 122.565 120.300 -0.165 0.000 2.804 422 Y HA -0.141 4.411 4.550 0.004 0.000 0.338 422 Y C 0.316 176.172 175.900 -0.074 0.000 1.252 422 Y CA 0.406 58.460 58.100 -0.077 0.000 1.576 422 Y CB 0.260 38.702 38.460 -0.030 0.000 1.223 422 Y HN 0.028 nan 8.280 nan 0.000 0.536 423 K N 3.615 123.663 120.400 -0.586 0.000 3.349 423 K HA -0.233 4.089 4.320 0.004 0.000 0.310 423 K C 0.757 177.252 176.600 -0.175 0.000 1.267 423 K CA 1.016 57.032 56.287 -0.451 0.000 0.920 423 K CB -1.946 30.219 32.500 -0.558 0.000 1.240 423 K HN 1.342 nan 8.250 nan 0.000 0.453 424 G N 0.797 109.516 108.800 -0.135 0.000 2.198 424 G HA2 -0.318 3.644 3.960 0.004 0.000 0.260 424 G HA3 -0.318 3.644 3.960 0.004 0.000 0.260 424 G C 0.086 174.938 174.900 -0.081 0.000 1.025 424 G CA 0.746 45.820 45.100 -0.044 0.000 0.769 424 G HN 0.301 nan 8.290 nan 0.000 0.507 425 M N 0.013 119.496 119.600 -0.194 0.000 2.055 425 M HA 0.231 4.713 4.480 0.004 0.000 0.347 425 M C -1.485 174.571 176.300 -0.406 0.000 1.123 425 M CA -1.888 53.139 55.300 -0.454 0.000 1.035 425 M CB 1.623 34.042 32.600 -0.302 0.000 1.484 425 M HN -0.142 nan 8.290 nan 0.000 0.428 426 P HA -0.066 nan 4.420 nan 0.000 0.222 426 P C 1.299 178.472 177.300 -0.212 0.000 1.147 426 P CA 0.991 63.925 63.100 -0.278 0.000 0.790 426 P CB 0.176 31.706 31.700 -0.284 0.000 0.780 427 G N -0.960 107.652 108.800 -0.313 0.000 2.813 427 G HA2 0.155 4.117 3.960 0.004 0.000 0.209 427 G HA3 0.155 4.117 3.960 0.004 0.000 0.209 427 G C 0.767 175.707 174.900 0.067 0.000 1.150 427 G CA 0.250 45.296 45.100 -0.089 0.000 0.785 427 G HN 0.404 nan 8.290 nan 0.000 0.535 428 G N -0.438 108.347 108.800 -0.025 0.000 2.461 428 G HA2 0.628 4.591 3.960 0.004 0.000 0.329 428 G HA3 0.628 4.591 3.960 0.004 0.000 0.329 428 G C -0.849 173.966 174.900 -0.141 0.000 1.170 428 G CA -0.754 44.359 45.100 0.021 0.000 0.935 428 G HN 0.067 nan 8.290 nan 0.000 0.492 429 R N 0.416 120.790 120.500 -0.211 0.000 2.533 429 R HA 0.350 4.693 4.340 0.004 0.000 0.288 429 R C -1.203 175.058 176.300 -0.064 0.000 1.039 429 R CA -0.745 55.189 56.100 -0.278 0.000 0.909 429 R CB 1.775 31.641 30.300 -0.723 0.000 1.195 429 R HN 0.700 nan 8.270 nan 0.000 0.438 430 N N 0.553 119.213 118.700 -0.068 0.000 2.405 430 N HA 0.495 5.237 4.740 0.004 0.000 0.285 430 N C -1.376 173.932 175.510 -0.337 0.000 1.262 430 N CA -0.828 52.064 53.050 -0.262 0.000 0.773 430 N CB 1.918 40.116 38.487 -0.482 0.000 1.490 430 N HN 0.215 nan 8.380 nan 0.000 0.486 431 L N 1.938 122.826 121.223 -0.557 0.000 2.275 431 L HA 0.498 4.841 4.340 0.004 0.000 0.288 431 L C -1.678 174.800 176.870 -0.654 0.000 1.046 431 L CA -0.204 54.364 54.840 -0.454 0.000 0.805 431 L CB 0.022 41.831 42.059 -0.416 0.000 1.193 431 L HN 0.498 nan 8.230 nan 0.000 0.426 432 Y N 3.854 123.820 120.300 -0.556 0.000 2.446 432 Y HA 0.482 5.034 4.550 0.004 0.000 0.345 432 Y C -0.254 175.398 175.900 -0.412 0.000 0.984 432 Y CA -0.662 57.070 58.100 -0.614 0.000 1.058 432 Y CB 1.764 39.571 38.460 -1.089 0.000 1.220 432 Y HN 0.491 nan 8.280 nan 0.000 0.455 433 K N 4.585 124.928 120.400 -0.096 0.000 2.274 433 K HA 0.602 4.924 4.320 0.004 0.000 0.262 433 K C -1.723 174.887 176.600 0.017 0.000 0.961 433 K CA -0.498 55.683 56.287 -0.176 0.000 0.833 433 K CB 1.177 33.492 32.500 -0.309 0.000 1.102 433 K HN 0.847 nan 8.250 nan 0.000 0.436 434 I N 3.601 124.227 120.570 0.093 0.000 2.406 434 I HA 0.168 4.340 4.170 0.004 0.000 0.290 434 I C -0.703 175.525 176.117 0.184 0.000 0.999 434 I CA -0.700 60.716 61.300 0.193 0.000 1.124 434 I CB 1.742 39.886 38.000 0.239 0.000 1.289 434 I HN 0.766 nan 8.210 nan 0.000 0.441 435 Q N 5.471 125.382 119.800 0.187 0.000 2.293 435 Q HA 0.121 4.463 4.340 0.004 0.000 0.263 435 Q C 0.346 176.303 176.000 -0.071 0.000 1.002 435 Q CA -0.507 55.293 55.803 -0.005 0.000 0.910 435 Q CB 1.360 30.105 28.738 0.011 0.000 1.185 435 Q HN 0.783 nan 8.270 nan 0.000 0.401 436 L N 2.998 124.116 121.223 -0.174 0.000 2.079 436 L HA -0.237 4.105 4.340 0.004 0.000 0.210 436 L C 2.250 178.984 176.870 -0.227 0.000 1.081 436 L CA 2.208 56.999 54.840 -0.081 0.000 0.752 436 L CB -0.614 41.386 42.059 -0.098 0.000 0.896 436 L HN 0.777 nan 8.230 nan 0.000 0.433 437 S N -2.869 112.667 115.700 -0.272 0.000 2.496 437 S HA 0.010 4.482 4.470 0.004 0.000 0.224 437 S C 0.677 175.057 174.600 -0.368 0.000 0.996 437 S CA 0.229 58.248 58.200 -0.302 0.000 0.927 437 S CB 0.056 63.128 63.200 -0.213 0.000 0.774 437 S HN 0.385 nan 8.310 nan 0.000 0.524 438 D N 0.002 120.205 120.400 -0.328 0.000 2.328 438 D HA 0.241 4.883 4.640 0.004 0.000 0.243 438 D C -0.680 175.550 176.300 -0.117 0.000 1.324 438 D CA -0.535 53.309 54.000 -0.259 0.000 0.966 438 D CB 0.458 41.179 40.800 -0.131 0.000 1.324 438 D HN 0.015 nan 8.370 nan 0.000 0.549 439 Y N 0.990 121.263 120.300 -0.044 0.000 2.651 439 Y HA -0.067 4.485 4.550 0.004 0.000 0.296 439 Y C 2.334 178.237 175.900 0.006 0.000 1.150 439 Y CA 0.636 58.722 58.100 -0.023 0.000 1.348 439 Y CB -0.500 37.939 38.460 -0.036 0.000 0.983 439 Y HN 0.273 nan 8.280 nan 0.000 0.555 440 T N -0.657 113.964 114.554 0.112 0.000 2.978 440 T HA -0.032 4.320 4.350 0.004 0.000 0.262 440 T C 0.839 175.588 174.700 0.083 0.000 1.063 440 T CA 0.462 62.611 62.100 0.081 0.000 1.140 440 T CB -0.078 68.812 68.868 0.037 0.000 0.886 440 T HN 0.172 nan 8.240 nan 0.000 0.470 441 K N 2.630 123.075 120.400 0.076 0.000 2.083 441 K HA 0.314 4.636 4.320 0.004 0.000 0.246 441 K C -1.109 175.566 176.600 0.125 0.000 1.160 441 K CA -0.171 56.167 56.287 0.085 0.000 1.060 441 K CB 0.295 32.837 32.500 0.071 0.000 1.417 441 K HN 0.084 nan 8.250 nan 0.000 0.329 442 V N 2.058 122.047 119.914 0.124 0.000 2.417 442 V HA 0.270 4.393 4.120 0.004 0.000 0.291 442 V C 0.033 176.198 176.094 0.118 0.000 1.024 442 V CA -0.779 61.613 62.300 0.154 0.000 0.861 442 V CB 1.771 33.707 31.823 0.189 0.000 0.985 442 V HN 0.523 nan 8.190 nan 0.000 0.436 443 T N 3.041 117.645 114.554 0.082 0.000 2.824 443 T HA 0.256 4.608 4.350 0.004 0.000 0.282 443 T C -0.426 174.217 174.700 -0.096 0.000 0.993 443 T CA -0.319 61.776 62.100 -0.008 0.000 0.967 443 T CB 1.369 70.197 68.868 -0.067 0.000 0.960 443 T HN 0.762 nan 8.240 nan 0.000 0.441 444 C N 4.943 124.117 119.300 -0.210 0.000 2.464 444 C HA 0.396 4.859 4.460 0.004 0.000 0.370 444 C C 1.561 176.253 174.990 -0.498 0.000 1.267 444 C CA -0.522 58.129 59.018 -0.611 0.000 1.781 444 C CB -1.927 25.411 27.740 -0.670 0.000 2.431 444 C HN 0.968 nan 8.230 nan 0.000 0.556 445 L N 4.736 125.631 121.223 -0.547 0.000 2.592 445 L HA 0.111 4.453 4.340 0.004 0.000 0.227 445 L C 1.951 178.506 176.870 -0.525 0.000 1.127 445 L CA 0.661 55.250 54.840 -0.418 0.000 0.884 445 L CB -0.150 41.707 42.059 -0.336 0.000 1.065 445 L HN 0.883 nan 8.230 nan 0.000 0.457 446 S N -3.674 111.598 115.700 -0.714 0.000 2.679 446 S HA 0.003 4.475 4.470 0.004 0.000 0.258 446 S C 1.715 175.879 174.600 -0.727 0.000 1.068 446 S CA -0.161 57.485 58.200 -0.923 0.000 1.115 446 S CB -0.226 61.978 63.200 -1.659 0.000 1.078 446 S HN 0.258 nan 8.310 nan 0.000 0.603 447 C N 2.376 121.255 119.300 -0.701 0.000 2.359 447 C HA -0.059 4.403 4.460 0.004 0.000 0.277 447 C C 2.733 177.447 174.990 -0.459 0.000 1.192 447 C CA 1.825 60.387 59.018 -0.760 0.000 1.759 447 C CB -1.080 26.089 27.740 -0.952 0.000 2.038 447 C HN 0.637 nan 8.230 nan 0.000 0.448 448 E N 0.287 120.288 120.200 -0.333 0.000 2.285 448 E HA 0.030 4.383 4.350 0.004 0.000 0.194 448 E C 2.059 178.594 176.600 -0.108 0.000 0.997 448 E CA 0.232 56.530 56.400 -0.171 0.000 0.845 448 E CB -0.407 29.215 29.700 -0.129 0.000 0.782 448 E HN 0.558 nan 8.360 nan 0.000 0.491 449 L N 0.250 121.395 121.223 -0.130 0.000 2.064 449 L HA -0.216 4.126 4.340 0.004 0.000 0.216 449 L C 0.824 177.696 176.870 0.004 0.000 1.077 449 L CA 1.204 56.014 54.840 -0.049 0.000 0.766 449 L CB -0.226 41.808 42.059 -0.043 0.000 0.890 449 L HN 0.173 nan 8.230 nan 0.000 0.435 450 N N -1.940 116.772 118.700 0.020 0.000 3.354 450 N HA 0.073 4.815 4.740 0.004 0.000 0.196 450 N C -2.202 173.330 175.510 0.038 0.000 1.486 450 N CA -0.690 52.377 53.050 0.028 0.000 0.768 450 N CB 0.893 39.401 38.487 0.035 0.000 1.625 450 N HN -0.202 nan 8.380 nan 0.000 0.636 451 P HA -0.071 nan 4.420 nan 0.000 0.223 451 P C 0.935 178.278 177.300 0.072 0.000 1.151 451 P CA 0.953 64.093 63.100 0.067 0.000 0.787 451 P CB 0.906 32.658 31.700 0.087 0.000 0.788 452 E N 0.327 120.552 120.200 0.040 0.000 2.033 452 E HA -0.143 4.209 4.350 0.004 0.000 0.189 452 E C 2.127 178.732 176.600 0.007 0.000 0.979 452 E CA 0.865 57.280 56.400 0.024 0.000 0.802 452 E CB 0.092 29.798 29.700 0.010 0.000 0.763 452 E HN 0.144 nan 8.360 nan 0.000 0.449 453 R N -1.357 119.137 120.500 -0.010 0.000 2.335 453 R HA 0.248 4.590 4.340 0.004 0.000 0.210 453 R C -0.359 175.905 176.300 -0.060 0.000 0.892 453 R CA 0.083 56.156 56.100 -0.045 0.000 1.048 453 R CB 0.159 30.417 30.300 -0.069 0.000 1.067 453 R HN -0.062 nan 8.270 nan 0.000 0.524 454 c N 1.276 119.857 118.600 -0.032 0.000 2.344 454 c HA 0.455 5.027 4.570 0.004 0.000 0.326 454 c C -0.364 173.737 174.090 0.018 0.000 1.201 454 c CA -0.513 55.760 56.329 -0.093 0.000 1.410 454 c CB 1.220 43.656 42.510 -0.123 0.000 2.070 454 c HN 0.609 nan 8.230 nan 0.000 0.445 455 Q N 0.721 120.520 119.800 -0.002 0.000 2.023 455 Q HA 0.209 4.551 4.340 0.004 0.000 0.211 455 Q C -1.087 174.993 176.000 0.134 0.000 0.787 455 Q CA 0.000 55.873 55.803 0.116 0.000 1.035 455 Q CB 1.206 30.025 28.738 0.135 0.000 1.221 455 Q HN 0.792 nan 8.270 nan 0.000 0.443 456 Y N 0.334 120.550 120.300 -0.141 0.000 2.400 456 Y HA 0.379 4.931 4.550 0.004 0.000 0.335 456 Y C -1.753 174.011 175.900 -0.226 0.000 1.066 456 Y CA -0.958 57.078 58.100 -0.106 0.000 1.285 456 Y CB 0.742 39.147 38.460 -0.092 0.000 1.103 456 Y HN -0.038 nan 8.280 nan 0.000 0.490 457 Y N 2.602 122.813 120.300 -0.148 0.000 2.409 457 Y HA 0.626 5.178 4.550 0.004 0.000 0.339 457 Y C 0.287 176.118 175.900 -0.114 0.000 1.033 457 Y CA -0.508 57.523 58.100 -0.114 0.000 1.094 457 Y CB 2.107 40.469 38.460 -0.163 0.000 1.210 457 Y HN 0.528 nan 8.280 nan 0.000 0.456 458 S N 1.433 117.195 115.700 0.105 0.000 2.600 458 S HA 0.849 5.321 4.470 0.004 0.000 0.300 458 S C -1.408 173.249 174.600 0.095 0.000 1.087 458 S CA -0.814 57.441 58.200 0.093 0.000 0.965 458 S CB 1.923 65.189 63.200 0.111 0.000 1.089 458 S HN 0.546 nan 8.310 nan 0.000 0.496 459 V N 0.593 120.569 119.914 0.104 0.000 2.962 459 V HA 0.863 4.985 4.120 0.004 0.000 0.313 459 V C -1.024 175.155 176.094 0.142 0.000 1.099 459 V CA -0.348 61.990 62.300 0.065 0.000 0.971 459 V CB 2.318 34.112 31.823 -0.049 0.000 1.028 459 V HN 1.150 nan 8.190 nan 0.000 0.430 460 S N 4.927 120.696 115.700 0.115 0.000 2.707 460 S HA 0.710 5.182 4.470 0.004 0.000 0.303 460 S C -1.349 173.399 174.600 0.247 0.000 1.132 460 S CA -0.379 57.998 58.200 0.295 0.000 1.046 460 S CB 0.645 64.060 63.200 0.358 0.000 1.004 460 S HN 0.493 nan 8.310 nan 0.000 0.483 461 F N 3.187 123.258 119.950 0.201 0.000 2.422 461 F HA 0.455 4.984 4.527 0.004 0.000 0.333 461 F C 1.316 176.811 175.800 -0.509 0.000 1.095 461 F CA -0.439 57.524 58.000 -0.063 0.000 1.038 461 F CB 1.697 40.648 39.000 -0.082 0.000 1.156 461 F HN 0.643 nan 8.300 nan 0.000 0.483 462 S N 2.084 117.166 115.700 -1.030 0.000 2.587 462 S HA 0.036 4.509 4.470 0.004 0.000 0.260 462 S C 1.446 175.851 174.600 -0.324 0.000 1.353 462 S CA -0.639 56.771 58.200 -1.317 0.000 0.995 462 S CB 0.587 63.004 63.200 -1.306 0.000 0.912 462 S HN 0.827 nan 8.310 nan 0.000 0.568 463 K N 0.483 120.812 120.400 -0.119 0.000 2.107 463 K HA -0.243 4.079 4.320 0.004 0.000 0.211 463 K C 1.483 178.094 176.600 0.019 0.000 1.049 463 K CA 2.255 58.554 56.287 0.020 0.000 0.927 463 K CB -0.206 32.325 32.500 0.051 0.000 0.714 463 K HN 0.765 nan 8.250 nan 0.000 0.452 464 E N -1.424 118.771 120.200 -0.009 0.000 2.501 464 E HA 0.222 4.574 4.350 0.004 0.000 0.201 464 E C -0.212 176.405 176.600 0.028 0.000 1.016 464 E CA 0.676 57.088 56.400 0.020 0.000 0.920 464 E CB 0.608 30.319 29.700 0.018 0.000 1.023 464 E HN 0.364 nan 8.360 nan 0.000 0.474 465 A N 0.638 123.471 122.820 0.021 0.000 2.887 465 A HA -0.286 4.036 4.320 0.004 0.000 0.257 465 A C 1.568 179.205 177.584 0.089 0.000 1.372 465 A CA 1.289 53.395 52.037 0.114 0.000 0.879 465 A CB -2.015 16.996 19.000 0.019 0.000 1.082 465 A HN 0.218 nan 8.150 nan 0.000 0.703 466 K N -1.380 119.004 120.400 -0.027 0.000 2.211 466 K HA 0.008 4.330 4.320 0.004 0.000 0.203 466 K C -0.008 176.328 176.600 -0.440 0.000 1.050 466 K CA 1.530 57.701 56.287 -0.194 0.000 0.945 466 K CB -0.065 32.320 32.500 -0.191 0.000 0.732 466 K HN 0.717 nan 8.250 nan 0.000 0.451 467 Y N -0.910 119.342 120.300 -0.081 0.000 2.576 467 Y HA 0.294 4.846 4.550 0.004 0.000 0.346 467 Y C -0.533 175.292 175.900 -0.126 0.000 1.018 467 Y CA -1.463 56.571 58.100 -0.111 0.000 1.050 467 Y CB 1.653 40.037 38.460 -0.128 0.000 1.280 467 Y HN -0.041 nan 8.280 nan 0.000 0.474 468 Y N -0.969 119.305 120.300 -0.043 0.000 2.534 468 Y HA 0.555 5.108 4.550 0.004 0.000 0.345 468 Y C -1.314 174.602 175.900 0.027 0.000 1.031 468 Y CA -1.486 56.428 58.100 -0.309 0.000 1.022 468 Y CB 1.635 39.374 38.460 -1.201 0.000 1.292 468 Y HN 0.574 nan 8.280 nan 0.000 0.459 469 Q N 3.778 123.684 119.800 0.176 0.000 2.333 469 Q HA 0.516 4.859 4.340 0.004 0.000 0.265 469 Q C -1.839 174.231 176.000 0.116 0.000 0.989 469 Q CA -0.669 55.210 55.803 0.127 0.000 0.842 469 Q CB 1.339 30.136 28.738 0.099 0.000 1.262 469 Q HN 0.980 nan 8.270 nan 0.000 0.451 470 L N 3.661 124.968 121.223 0.140 0.000 2.312 470 L HA 0.481 4.823 4.340 0.004 0.000 0.281 470 L C 0.297 177.190 176.870 0.039 0.000 1.070 470 L CA -0.485 54.438 54.840 0.139 0.000 0.805 470 L CB 1.099 43.247 42.059 0.149 0.000 1.174 470 L HN 0.455 nan 8.230 nan 0.000 0.434 471 R N 3.424 123.904 120.500 -0.033 0.000 2.363 471 R HA 0.239 4.581 4.340 0.004 0.000 0.297 471 R C -1.006 175.072 176.300 -0.370 0.000 1.208 471 R CA -0.459 55.407 56.100 -0.391 0.000 1.121 471 R CB 0.960 31.006 30.300 -0.424 0.000 1.124 471 R HN 0.794 nan 8.270 nan 0.000 0.561 472 c N 2.715 120.979 118.600 -0.559 0.000 2.452 472 c HA 0.522 5.094 4.570 0.004 0.000 0.379 472 c C 1.080 174.940 174.090 -0.384 0.000 1.275 472 c CA -0.311 55.555 56.329 -0.771 0.000 2.056 472 c CB 0.582 42.384 42.510 -1.180 0.000 2.506 472 c HN 0.770 nan 8.230 nan 0.000 0.560 473 S N 2.858 118.433 115.700 -0.208 0.000 2.843 473 S HA 0.653 5.125 4.470 0.004 0.000 0.249 473 S C 0.217 174.794 174.600 -0.038 0.000 1.047 473 S CA 0.149 58.298 58.200 -0.086 0.000 1.042 473 S CB -0.095 63.078 63.200 -0.046 0.000 0.936 473 S HN 2.122 nan 8.310 nan 0.000 0.531 474 G N 1.874 110.639 108.800 -0.059 0.000 2.340 474 G HA2 0.427 4.389 3.960 0.004 0.000 0.300 474 G HA3 0.427 4.389 3.960 0.004 0.000 0.300 474 G C -3.305 171.584 174.900 -0.018 0.000 1.488 474 G CA -0.749 44.352 45.100 0.003 0.000 0.878 474 G HN -0.087 nan 8.290 nan 0.000 0.618 475 P HA 0.208 nan 4.420 nan 0.000 0.257 475 P C 1.276 178.564 177.300 -0.020 0.000 1.241 475 P CA 0.948 64.076 63.100 0.046 0.000 0.816 475 P CB 0.715 32.441 31.700 0.044 0.000 1.150 476 G N 0.537 109.265 108.800 -0.120 0.000 2.588 476 G HA2 0.368 4.330 3.960 0.004 0.000 0.278 476 G HA3 0.368 4.330 3.960 0.004 0.000 0.278 476 G C -0.171 174.477 174.900 -0.421 0.000 1.307 476 G CA -0.671 44.268 45.100 -0.268 0.000 1.016 476 G HN 0.043 nan 8.290 nan 0.000 0.503 477 L N 0.834 121.738 121.223 -0.530 0.000 2.499 477 L HA 0.119 4.461 4.340 0.004 0.000 0.281 477 L C -1.803 174.967 176.870 -0.166 0.000 1.234 477 L CA -1.150 53.416 54.840 -0.457 0.000 0.839 477 L CB 0.203 42.074 42.059 -0.313 0.000 1.104 477 L HN 0.259 nan 8.230 nan 0.000 0.500 478 P HA 0.123 nan 4.420 nan 0.000 0.268 478 P C -0.953 176.374 177.300 0.044 0.000 1.205 478 P CA -0.178 62.934 63.100 0.019 0.000 0.771 478 P CB 0.726 32.530 31.700 0.174 0.000 0.858 479 L N 4.718 125.899 121.223 -0.071 0.000 2.404 479 L HA 0.446 4.788 4.340 0.004 0.000 0.272 479 L C -1.773 175.048 176.870 -0.081 0.000 0.980 479 L CA -0.756 54.075 54.840 -0.014 0.000 0.836 479 L CB 0.657 42.680 42.059 -0.060 0.000 1.238 479 L HN 0.255 nan 8.230 nan 0.000 0.408 480 Y N 3.120 123.385 120.300 -0.058 0.000 2.331 480 Y HA 0.708 5.260 4.550 0.004 0.000 0.338 480 Y C 0.540 176.344 175.900 -0.159 0.000 0.992 480 Y CA -0.340 57.710 58.100 -0.082 0.000 1.121 480 Y CB 2.027 40.430 38.460 -0.094 0.000 1.184 480 Y HN 0.670 nan 8.280 nan 0.000 0.469 481 T N 1.552 116.104 114.554 -0.003 0.000 2.900 481 T HA 0.607 4.959 4.350 0.004 0.000 0.303 481 T C -1.318 173.282 174.700 -0.167 0.000 1.142 481 T CA -0.914 61.116 62.100 -0.117 0.000 1.007 481 T CB 1.542 70.386 68.868 -0.041 0.000 1.156 481 T HN 0.551 nan 8.240 nan 0.000 0.490 482 L N 2.493 123.500 121.223 -0.361 0.000 2.317 482 L HA 0.594 4.936 4.340 0.004 0.000 0.281 482 L C -0.537 175.986 176.870 -0.578 0.000 1.024 482 L CA -0.791 53.869 54.840 -0.300 0.000 0.810 482 L CB 0.908 42.847 42.059 -0.199 0.000 1.240 482 L HN 0.782 nan 8.230 nan 0.000 0.427 483 H N 1.681 120.525 119.070 -0.377 0.000 2.851 483 H HA 0.311 4.869 4.556 0.004 0.000 0.372 483 H C -0.860 174.215 175.328 -0.422 0.000 1.158 483 H CA -0.843 54.882 56.048 -0.539 0.000 1.159 483 H CB 2.189 31.308 29.762 -1.072 0.000 1.757 483 H HN 0.512 nan 8.280 nan 0.000 0.546 484 S N 0.604 116.245 115.700 -0.098 0.000 2.429 484 S HA 0.117 4.589 4.470 0.004 0.000 0.302 484 S C 1.143 175.720 174.600 -0.039 0.000 1.115 484 S CA -0.500 57.642 58.200 -0.097 0.000 1.095 484 S CB 1.456 64.607 63.200 -0.082 0.000 0.987 484 S HN 0.693 nan 8.310 nan 0.000 0.474 485 S N 2.544 118.265 115.700 0.035 0.000 2.428 485 S HA -0.099 4.374 4.470 0.004 0.000 0.230 485 S C 1.610 176.274 174.600 0.106 0.000 1.014 485 S CA 0.648 58.982 58.200 0.222 0.000 0.957 485 S CB -0.697 62.652 63.200 0.248 0.000 0.784 485 S HN 0.641 nan 8.310 nan 0.000 0.499 486 V N 3.611 123.538 119.914 0.021 0.000 2.660 486 V HA -0.217 3.905 4.120 0.004 0.000 0.257 486 V C 1.295 177.405 176.094 0.027 0.000 1.088 486 V CA 2.263 64.579 62.300 0.026 0.000 1.106 486 V CB -0.820 30.996 31.823 -0.011 0.000 0.686 486 V HN 0.920 nan 8.190 nan 0.000 0.481 487 N N -3.651 115.061 118.700 0.020 0.000 1.938 487 N HA 0.079 4.821 4.740 0.004 0.000 0.225 487 N C 0.213 175.736 175.510 0.020 0.000 1.400 487 N CA 0.494 53.552 53.050 0.014 0.000 0.772 487 N CB 0.201 38.694 38.487 0.011 0.000 1.124 487 N HN 0.302 nan 8.380 nan 0.000 0.513 488 D N -0.146 120.286 120.400 0.054 0.000 3.028 488 D HA -0.192 4.450 4.640 0.004 0.000 0.207 488 D C -0.324 176.018 176.300 0.070 0.000 1.100 488 D CA 1.329 55.386 54.000 0.095 0.000 0.995 488 D CB -1.229 39.612 40.800 0.068 0.000 1.108 488 D HN 0.810 nan 8.370 nan 0.000 0.421 489 K N 0.696 121.117 120.400 0.035 0.000 2.319 489 K HA 0.410 4.733 4.320 0.004 0.000 0.265 489 K C 0.655 177.261 176.600 0.010 0.000 1.000 489 K CA 0.257 56.558 56.287 0.023 0.000 0.943 489 K CB 0.838 33.338 32.500 0.001 0.000 0.950 489 K HN -0.008 nan 8.250 nan 0.000 0.485 490 G N 3.181 111.961 108.800 -0.033 0.000 2.404 490 G HA2 0.257 4.219 3.960 0.004 0.000 0.316 490 G HA3 0.257 4.219 3.960 0.004 0.000 0.316 490 G C 0.588 175.344 174.900 -0.241 0.000 1.074 490 G CA -0.855 44.090 45.100 -0.259 0.000 0.989 490 G HN 0.681 nan 8.290 nan 0.000 0.430 491 L N 1.367 122.449 121.223 -0.236 0.000 1.978 491 L HA -0.026 4.316 4.340 0.004 0.000 0.218 491 L C 1.800 178.580 176.870 -0.150 0.000 1.075 491 L CA 1.604 56.359 54.840 -0.141 0.000 0.767 491 L CB -0.287 41.715 42.059 -0.094 0.000 0.890 491 L HN 0.735 nan 8.230 nan 0.000 0.434 492 R N -2.214 118.156 120.500 -0.217 0.000 2.728 492 R HA 0.375 4.717 4.340 0.004 0.000 0.274 492 R C -1.623 174.538 176.300 -0.232 0.000 1.032 492 R CA -0.904 55.087 56.100 -0.182 0.000 0.866 492 R CB 1.254 31.480 30.300 -0.124 0.000 1.263 492 R HN -0.241 nan 8.270 nan 0.000 0.475 493 V N 3.465 123.271 119.914 -0.180 0.000 2.508 493 V HA 0.113 4.236 4.120 0.004 0.000 0.281 493 V C 1.409 177.356 176.094 -0.246 0.000 1.041 493 V CA -0.117 62.076 62.300 -0.177 0.000 1.016 493 V CB 0.964 32.722 31.823 -0.108 0.000 0.984 493 V HN 0.640 nan 8.190 nan 0.000 0.478 494 L N 2.771 123.781 121.223 -0.355 0.000 2.121 494 L HA 0.248 4.590 4.340 0.004 0.000 0.200 494 L C 0.853 177.431 176.870 -0.486 0.000 1.077 494 L CA 0.851 55.273 54.840 -0.698 0.000 0.766 494 L CB 0.101 41.437 42.059 -1.206 0.000 0.931 494 L HN 0.614 nan 8.230 nan 0.000 0.452 495 E N -0.368 119.698 120.200 -0.224 0.000 2.292 495 E HA 0.148 4.500 4.350 0.004 0.000 0.272 495 E C -1.097 175.529 176.600 0.043 0.000 0.881 495 E CA -0.408 55.967 56.400 -0.042 0.000 0.754 495 E CB 1.564 31.255 29.700 -0.015 0.000 1.201 495 E HN 0.207 nan 8.360 nan 0.000 0.425 496 D N 2.355 122.771 120.400 0.026 0.000 2.500 496 D HA 0.109 4.751 4.640 0.004 0.000 0.218 496 D C -0.502 175.812 176.300 0.022 0.000 1.140 496 D CA -0.175 53.837 54.000 0.022 0.000 0.830 496 D CB -0.026 40.768 40.800 -0.009 0.000 1.055 496 D HN 0.433 nan 8.370 nan 0.000 0.512 497 N N 0.396 119.119 118.700 0.039 0.000 2.756 497 N HA -0.150 4.592 4.740 0.004 0.000 0.248 497 N C 0.258 175.782 175.510 0.022 0.000 1.062 497 N CA 0.796 53.870 53.050 0.040 0.000 0.696 497 N CB -1.422 37.091 38.487 0.043 0.000 0.946 497 N HN 0.158 nan 8.380 nan 0.000 0.548 498 S N -0.321 115.391 115.700 0.021 0.000 2.406 498 S HA -0.008 4.464 4.470 0.004 0.000 0.228 498 S C 2.130 176.750 174.600 0.033 0.000 1.020 498 S CA 0.862 59.072 58.200 0.017 0.000 0.965 498 S CB 0.114 63.321 63.200 0.013 0.000 0.798 498 S HN 0.678 nan 8.310 nan 0.000 0.488 499 A N 2.043 124.890 122.820 0.045 0.000 1.849 499 A HA -0.145 4.177 4.320 0.004 0.000 0.217 499 A C 2.135 179.769 177.584 0.083 0.000 1.202 499 A CA 1.767 53.839 52.037 0.059 0.000 0.629 499 A CB -1.074 17.962 19.000 0.060 0.000 0.834 499 A HN 0.412 nan 8.150 nan 0.000 0.447 500 L N 0.298 121.579 121.223 0.096 0.000 1.990 500 L HA -0.225 4.117 4.340 0.004 0.000 0.213 500 L C 2.126 179.054 176.870 0.096 0.000 1.072 500 L CA 2.973 57.893 54.840 0.133 0.000 0.755 500 L CB -0.809 41.328 42.059 0.131 0.000 0.889 500 L HN 0.572 nan 8.230 nan 0.000 0.432 501 D N -1.011 119.412 120.400 0.039 0.000 2.133 501 D HA -0.253 4.389 4.640 0.004 0.000 0.195 501 D C 2.125 178.440 176.300 0.025 0.000 0.997 501 D CA 1.275 55.276 54.000 0.002 0.000 0.840 501 D CB -0.036 40.751 40.800 -0.022 0.000 0.947 501 D HN 0.096 nan 8.370 nan 0.000 0.452 502 K N 0.523 120.950 120.400 0.045 0.000 1.963 502 K HA -0.129 4.193 4.320 0.004 0.000 0.216 502 K C 2.288 178.935 176.600 0.079 0.000 1.045 502 K CA 1.799 58.117 56.287 0.052 0.000 0.954 502 K CB -0.981 31.550 32.500 0.052 0.000 0.732 502 K HN 0.437 nan 8.250 nan 0.000 0.442 503 M N 0.056 119.729 119.600 0.121 0.000 2.426 503 M HA -0.145 4.337 4.480 0.004 0.000 0.261 503 M C 1.827 178.245 176.300 0.197 0.000 1.068 503 M CA 1.358 56.769 55.300 0.186 0.000 1.066 503 M CB -0.391 32.362 32.600 0.255 0.000 1.399 503 M HN -0.070 nan 8.290 nan 0.000 0.449 504 L N 1.537 122.831 121.223 0.118 0.000 2.072 504 L HA -0.155 4.187 4.340 0.004 0.000 0.205 504 L C 2.603 179.477 176.870 0.006 0.000 1.079 504 L CA 1.941 56.790 54.840 0.015 0.000 0.752 504 L CB -0.884 41.168 42.059 -0.012 0.000 0.906 504 L HN 0.508 nan 8.230 nan 0.000 0.436 505 Q N -1.338 118.475 119.800 0.021 0.000 2.576 505 Q HA -0.179 4.163 4.340 0.004 0.000 0.218 505 Q C 1.650 177.672 176.000 0.037 0.000 0.983 505 Q CA 1.489 57.303 55.803 0.018 0.000 0.920 505 Q CB -0.992 27.755 28.738 0.015 0.000 0.973 505 Q HN 0.563 nan 8.270 nan 0.000 0.528 506 N N 0.670 119.404 118.700 0.057 0.000 2.220 506 N HA -0.039 4.703 4.740 0.004 0.000 0.182 506 N C -0.028 175.526 175.510 0.073 0.000 1.023 506 N CA 0.786 53.882 53.050 0.077 0.000 0.856 506 N CB 0.496 39.051 38.487 0.113 0.000 0.997 506 N HN 0.262 nan 8.380 nan 0.000 0.429 507 V N 0.882 120.825 119.914 0.047 0.000 2.649 507 V HA 0.221 4.343 4.120 0.004 0.000 0.292 507 V C -0.073 176.034 176.094 0.022 0.000 1.055 507 V CA -0.616 61.704 62.300 0.035 0.000 1.023 507 V CB 1.198 32.999 31.823 -0.037 0.000 0.992 507 V HN 0.112 nan 8.190 nan 0.000 0.480 508 Q N 4.123 123.956 119.800 0.055 0.000 2.409 508 Q HA 0.283 4.625 4.340 0.004 0.000 0.240 508 Q C -0.245 175.749 176.000 -0.010 0.000 1.226 508 Q CA 0.052 55.877 55.803 0.037 0.000 0.895 508 Q CB 0.345 29.158 28.738 0.124 0.000 1.491 508 Q HN 0.624 nan 8.270 nan 0.000 0.509 509 M N 4.121 123.687 119.600 -0.057 0.000 2.250 509 M HA 0.336 4.818 4.480 0.004 0.000 0.344 509 M C -2.029 174.211 176.300 -0.099 0.000 1.150 509 M CA -2.255 52.997 55.300 -0.079 0.000 1.147 509 M CB 0.443 32.999 32.600 -0.074 0.000 1.498 509 M HN 0.337 nan 8.290 nan 0.000 0.461 510 P HA 0.238 nan 4.420 nan 0.000 0.276 510 P C -0.919 176.314 177.300 -0.113 0.000 1.252 510 P CA -0.389 62.634 63.100 -0.128 0.000 0.802 510 P CB 0.685 32.294 31.700 -0.150 0.000 1.035 511 S N -0.079 115.538 115.700 -0.138 0.000 2.621 511 S HA 0.531 5.003 4.470 0.004 0.000 0.302 511 S C -0.404 174.114 174.600 -0.137 0.000 1.093 511 S CA -0.834 57.297 58.200 -0.116 0.000 1.017 511 S CB 1.705 64.829 63.200 -0.128 0.000 1.077 511 S HN 0.436 nan 8.310 nan 0.000 0.517 512 K N 0.736 121.085 120.400 -0.085 0.000 2.159 512 K HA 0.386 4.708 4.320 0.004 0.000 0.266 512 K C -0.967 175.584 176.600 -0.083 0.000 0.975 512 K CA -0.578 55.661 56.287 -0.080 0.000 0.865 512 K CB 1.052 33.535 32.500 -0.028 0.000 1.087 512 K HN 0.736 nan 8.250 nan 0.000 0.446 513 K N 5.531 125.877 120.400 -0.091 0.000 2.358 513 K HA 0.318 4.640 4.320 0.004 0.000 0.260 513 K C -1.445 175.126 176.600 -0.048 0.000 0.956 513 K CA -0.618 55.627 56.287 -0.071 0.000 0.834 513 K CB 0.988 33.429 32.500 -0.098 0.000 1.102 513 K HN 0.544 nan 8.250 nan 0.000 0.431 514 L N 4.347 125.552 121.223 -0.029 0.000 2.305 514 L HA 0.451 4.794 4.340 0.004 0.000 0.284 514 L C -0.955 175.905 176.870 -0.017 0.000 1.013 514 L CA -0.221 54.620 54.840 0.001 0.000 0.819 514 L CB 1.432 43.552 42.059 0.101 0.000 1.227 514 L HN 0.877 nan 8.230 nan 0.000 0.417 515 D N 2.632 122.871 120.400 -0.269 0.000 3.103 515 D HA 0.475 5.117 4.640 0.004 0.000 0.337 515 D C -1.656 174.311 176.300 -0.554 0.000 1.356 515 D CA 0.019 53.798 54.000 -0.368 0.000 0.951 515 D CB 1.941 42.470 40.800 -0.452 0.000 1.438 515 D HN 0.179 nan 8.370 nan 0.000 0.562 516 F N 0.103 119.707 119.950 -0.577 0.000 2.619 516 F HA 0.653 5.182 4.527 0.004 0.000 0.308 516 F C -0.795 175.040 175.800 0.059 0.000 1.097 516 F CA -1.202 56.525 58.000 -0.456 0.000 0.953 516 F CB 0.615 38.800 39.000 -1.359 0.000 1.287 516 F HN 0.244 nan 8.300 nan 0.000 0.446 517 I N 1.249 122.084 120.570 0.442 0.000 2.577 517 I HA 0.625 4.797 4.170 0.004 0.000 0.305 517 I C -0.771 175.567 176.117 0.368 0.000 0.986 517 I CA -1.025 60.463 61.300 0.312 0.000 1.189 517 I CB 1.461 39.598 38.000 0.228 0.000 1.355 517 I HN 0.450 nan 8.210 nan 0.000 0.476 518 I N 5.278 126.004 120.570 0.261 0.000 2.396 518 I HA 0.448 4.620 4.170 0.004 0.000 0.292 518 I C -0.429 175.813 176.117 0.209 0.000 0.999 518 I CA -0.406 61.028 61.300 0.223 0.000 1.310 518 I CB 1.270 39.367 38.000 0.161 0.000 1.404 518 I HN 0.500 nan 8.210 nan 0.000 0.496 519 L N 6.674 128.053 121.223 0.260 0.000 2.580 519 L HA 0.389 4.731 4.340 0.004 0.000 0.266 519 L C -0.272 176.737 176.870 0.231 0.000 0.955 519 L CA -0.144 54.845 54.840 0.249 0.000 0.886 519 L CB 0.979 43.248 42.059 0.351 0.000 1.263 519 L HN 0.526 nan 8.230 nan 0.000 0.406 520 N N 3.608 122.379 118.700 0.119 0.000 2.714 520 N HA -0.229 4.513 4.740 0.004 0.000 0.252 520 N C -0.108 175.442 175.510 0.068 0.000 1.014 520 N CA 1.373 54.470 53.050 0.078 0.000 0.735 520 N CB -0.653 37.875 38.487 0.067 0.000 0.924 520 N HN 0.869 nan 8.380 nan 0.000 0.540 521 E N -3.227 117.008 120.200 0.058 0.000 2.586 521 E HA -0.239 4.113 4.350 0.004 0.000 0.259 521 E C -0.719 175.878 176.600 -0.004 0.000 1.107 521 E CA 1.239 57.656 56.400 0.028 0.000 0.754 521 E CB -1.646 28.063 29.700 0.015 0.000 1.335 521 E HN 0.518 nan 8.360 nan 0.000 0.411 522 T N 0.162 114.711 114.554 -0.008 0.000 2.933 522 T HA 0.364 4.716 4.350 0.004 0.000 0.305 522 T C -0.357 174.186 174.700 -0.261 0.000 1.092 522 T CA -0.982 61.019 62.100 -0.165 0.000 1.008 522 T CB 1.746 70.468 68.868 -0.243 0.000 1.102 522 T HN -0.011 nan 8.240 nan 0.000 0.469 523 K N 1.822 121.988 120.400 -0.390 0.000 2.339 523 K HA 0.448 4.770 4.320 0.004 0.000 0.286 523 K C -1.063 175.214 176.600 -0.538 0.000 1.050 523 K CA -0.059 55.978 56.287 -0.416 0.000 0.956 523 K CB 0.292 32.369 32.500 -0.706 0.000 0.990 523 K HN 0.384 nan 8.250 nan 0.000 0.475 524 F N 2.292 122.267 119.950 0.041 0.000 2.449 524 F HA 0.307 4.836 4.527 0.004 0.000 0.342 524 F C -0.459 175.381 175.800 0.066 0.000 1.127 524 F CA -0.811 57.220 58.000 0.052 0.000 0.975 524 F CB 0.875 39.930 39.000 0.093 0.000 1.146 524 F HN 0.409 nan 8.300 nan 0.000 0.444 525 W N 4.307 125.715 121.300 0.181 0.000 2.315 525 W HA 0.463 5.125 4.660 0.004 0.000 0.316 525 W C -0.419 176.228 176.519 0.213 0.000 1.211 525 W CA -0.539 56.930 57.345 0.207 0.000 1.201 525 W CB 0.514 30.041 29.460 0.113 0.000 1.184 525 W HN 0.465 nan 8.180 nan 0.000 0.544 526 Y N 0.055 120.650 120.300 0.493 0.000 2.634 526 Y HA 0.731 5.284 4.550 0.004 0.000 0.340 526 Y C -0.785 175.351 175.900 0.393 0.000 1.058 526 Y CA -1.859 56.548 58.100 0.512 0.000 1.081 526 Y CB 1.277 40.211 38.460 0.791 0.000 1.295 526 Y HN 0.538 nan 8.280 nan 0.000 0.487 527 Q N 1.808 121.879 119.800 0.453 0.000 2.379 527 Q HA 0.699 5.041 4.340 0.004 0.000 0.278 527 Q C -1.950 174.183 176.000 0.223 0.000 1.068 527 Q CA -1.119 54.818 55.803 0.224 0.000 0.816 527 Q CB 3.125 31.949 28.738 0.142 0.000 1.387 527 Q HN 0.875 nan 8.270 nan 0.000 0.413 528 M N 2.617 122.269 119.600 0.087 0.000 2.327 528 M HA 0.441 4.923 4.480 0.004 0.000 0.298 528 M C -1.127 175.107 176.300 -0.109 0.000 1.065 528 M CA -1.014 54.267 55.300 -0.033 0.000 0.916 528 M CB 2.159 34.697 32.600 -0.103 0.000 1.630 528 M HN 0.591 nan 8.290 nan 0.000 0.442 529 I N 5.070 125.569 120.570 -0.117 0.000 2.291 529 I HA 0.318 4.490 4.170 0.004 0.000 0.292 529 I C -0.402 175.575 176.117 -0.234 0.000 1.064 529 I CA -0.235 60.971 61.300 -0.156 0.000 1.269 529 I CB -0.142 37.781 38.000 -0.128 0.000 1.418 529 I HN 0.641 nan 8.210 nan 0.000 0.485 530 L N 8.786 129.822 121.223 -0.311 0.000 2.264 530 L HA 0.401 4.743 4.340 0.004 0.000 0.289 530 L C -1.949 174.740 176.870 -0.301 0.000 1.044 530 L CA -1.834 52.730 54.840 -0.460 0.000 0.807 530 L CB 1.159 42.776 42.059 -0.736 0.000 1.192 530 L HN 0.278 nan 8.230 nan 0.000 0.425 531 P HA -0.030 nan 4.420 nan 0.000 0.267 531 P C -2.465 174.803 177.300 -0.053 0.000 1.195 531 P CA -0.811 62.225 63.100 -0.107 0.000 0.773 531 P CB -0.599 31.075 31.700 -0.043 0.000 0.837 532 P HA -0.094 nan 4.420 nan 0.000 0.267 532 P C 0.043 177.322 177.300 -0.035 0.000 1.200 532 P CA 0.739 63.755 63.100 -0.139 0.000 0.772 532 P CB -0.128 31.502 31.700 -0.117 0.000 0.855 533 H N -0.899 118.206 119.070 0.058 0.000 2.677 533 H HA -0.208 4.350 4.556 0.004 0.000 0.321 533 H C -0.134 175.251 175.328 0.096 0.000 1.171 533 H CA 0.139 56.224 56.048 0.063 0.000 1.139 533 H CB -2.319 27.468 29.762 0.042 0.000 1.515 533 H HN 0.413 nan 8.280 nan 0.000 0.423 534 F N 2.607 122.549 119.950 -0.012 0.000 2.533 534 F HA 0.120 4.649 4.527 0.003 0.000 0.378 534 F C 0.589 176.398 175.800 0.016 0.000 1.070 534 F CA -0.280 57.685 58.000 -0.059 0.000 1.172 534 F CB 0.434 39.285 39.000 -0.249 0.000 1.085 534 F HN 0.197 nan 8.300 nan 0.000 0.552 535 D N 6.925 127.040 120.400 -0.474 0.000 2.329 535 D HA 0.094 4.737 4.640 0.004 0.000 0.232 535 D C 0.561 176.464 176.300 -0.662 0.000 1.088 535 D CA -0.421 53.349 54.000 -0.384 0.000 0.835 535 D CB 1.120 41.824 40.800 -0.161 0.000 1.078 535 D HN 0.688 nan 8.370 nan 0.000 0.495 536 K N 1.383 121.472 120.400 -0.519 0.000 2.525 536 K HA -0.040 4.283 4.320 0.004 0.000 0.192 536 K C 1.053 177.650 176.600 -0.005 0.000 1.029 536 K CA 0.216 56.345 56.287 -0.264 0.000 1.029 536 K CB 0.007 32.550 32.500 0.073 0.000 0.814 536 K HN 0.216 nan 8.250 nan 0.000 0.503 537 S N -0.141 115.517 115.700 -0.071 0.000 2.524 537 S HA 0.098 4.570 4.470 0.004 0.000 0.216 537 S C 0.715 175.272 174.600 -0.073 0.000 0.987 537 S CA -0.314 57.863 58.200 -0.038 0.000 0.909 537 S CB 0.084 63.258 63.200 -0.044 0.000 0.781 537 S HN 0.167 nan 8.310 nan 0.000 0.521 538 K N 1.309 121.627 120.400 -0.137 0.000 2.087 538 K HA 0.388 4.711 4.320 0.004 0.000 0.255 538 K C -0.742 175.727 176.600 -0.218 0.000 0.988 538 K CA -0.390 55.748 56.287 -0.248 0.000 0.915 538 K CB 0.841 33.084 32.500 -0.429 0.000 1.043 538 K HN 0.133 nan 8.250 nan 0.000 0.457 539 K N 2.025 122.260 120.400 -0.275 0.000 2.206 539 K HA 0.283 4.605 4.320 0.004 0.000 0.264 539 K C -1.309 175.126 176.600 -0.275 0.000 0.967 539 K CA -0.511 55.693 56.287 -0.137 0.000 0.844 539 K CB 1.025 33.468 32.500 -0.096 0.000 1.099 539 K HN 0.365 nan 8.250 nan 0.000 0.441 540 Y N 1.922 122.237 120.300 0.025 0.000 2.524 540 Y HA 0.328 4.880 4.550 0.004 0.000 0.344 540 Y C -2.160 173.666 175.900 -0.123 0.000 1.012 540 Y CA -2.655 55.436 58.100 -0.016 0.000 1.068 540 Y CB 1.482 40.002 38.460 0.099 0.000 1.249 540 Y HN 0.472 nan 8.280 nan 0.000 0.468 541 P HA 0.191 nan 4.420 nan 0.000 0.275 541 P C -1.130 176.023 177.300 -0.246 0.000 1.227 541 P CA -0.129 62.660 63.100 -0.518 0.000 0.781 541 P CB 0.838 31.876 31.700 -1.103 0.000 0.906 542 L N 3.624 124.764 121.223 -0.139 0.000 2.365 542 L HA 0.630 4.972 4.340 0.004 0.000 0.273 542 L C -1.287 175.760 176.870 0.295 0.000 1.000 542 L CA -1.071 53.816 54.840 0.079 0.000 0.819 542 L CB 1.652 43.759 42.059 0.080 0.000 1.284 542 L HN 0.158 nan 8.230 nan 0.000 0.418 543 L N 5.238 126.637 121.223 0.293 0.000 2.349 543 L HA 0.506 4.848 4.340 0.004 0.000 0.278 543 L C -1.372 175.712 176.870 0.356 0.000 0.996 543 L CA -0.372 54.703 54.840 0.390 0.000 0.825 543 L CB 1.619 43.880 42.059 0.336 0.000 1.243 543 L HN 0.592 nan 8.230 nan 0.000 0.412 544 L N 4.991 126.470 121.223 0.428 0.000 2.283 544 L HA 0.394 4.736 4.340 0.004 0.000 0.287 544 L C -0.438 176.649 176.870 0.362 0.000 1.073 544 L CA 0.210 55.290 54.840 0.400 0.000 0.822 544 L CB 0.471 42.812 42.059 0.470 0.000 1.186 544 L HN 0.632 nan 8.230 nan 0.000 0.436 545 D N 4.104 124.694 120.400 0.316 0.000 2.317 545 D HA 0.226 4.868 4.640 0.004 0.000 0.252 545 D C -0.916 175.458 176.300 0.123 0.000 1.174 545 D CA 0.135 54.241 54.000 0.177 0.000 0.866 545 D CB 1.316 42.274 40.800 0.264 0.000 1.127 545 D HN 0.324 nan 8.370 nan 0.000 0.467 546 V N 6.048 125.958 119.914 -0.007 0.000 2.680 546 V HA 0.440 4.562 4.120 0.004 0.000 0.309 546 V C -0.942 175.256 176.094 0.173 0.000 1.052 546 V CA -0.454 61.920 62.300 0.123 0.000 0.908 546 V CB 1.709 33.616 31.823 0.139 0.000 1.001 546 V HN 0.640 nan 8.190 nan 0.000 0.431 547 Y N 5.362 125.729 120.300 0.112 0.000 3.183 547 Y HA 0.508 5.060 4.550 0.004 0.000 0.200 547 Y C 1.528 177.542 175.900 0.191 0.000 0.912 547 Y CA 1.209 59.399 58.100 0.149 0.000 1.642 547 Y CB -0.175 38.357 38.460 0.119 0.000 1.447 547 Y HN 1.361 nan 8.280 nan 0.000 0.421 548 A N 1.266 124.078 122.820 -0.012 0.000 2.816 548 A HA -0.159 4.163 4.320 0.004 0.000 0.270 548 A C 1.087 178.450 177.584 -0.369 0.000 1.413 548 A CA 1.210 53.183 52.037 -0.106 0.000 0.866 548 A CB -2.390 16.694 19.000 0.141 0.000 1.032 548 A HN 1.022 nan 8.150 nan 0.000 0.642 549 G N -1.033 107.225 108.800 -0.903 0.000 2.684 549 G HA2 0.469 4.431 3.960 0.004 0.000 0.255 549 G HA3 0.469 4.431 3.960 0.004 0.000 0.255 549 G C -2.222 172.163 174.900 -0.859 0.000 1.219 549 G CA -0.678 43.561 45.100 -1.435 0.000 0.901 549 G HN 0.342 nan 8.290 nan 0.000 0.548 550 P HA 0.139 nan 4.420 nan 0.000 0.268 550 P C 0.566 177.592 177.300 -0.458 0.000 1.205 550 P CA -0.089 62.655 63.100 -0.592 0.000 0.771 550 P CB 0.960 32.061 31.700 -0.998 0.000 0.858 551 C N 1.821 120.913 119.300 -0.346 0.000 4.326 551 C HA -0.156 4.306 4.460 0.004 0.000 0.284 551 C C 0.945 175.834 174.990 -0.169 0.000 1.419 551 C CA 1.210 60.016 59.018 -0.354 0.000 1.920 551 C CB -2.801 24.634 27.740 -0.507 0.000 1.306 551 C HN 0.825 nan 8.230 nan 0.000 0.786 552 S N 0.218 115.750 115.700 -0.280 0.000 2.576 552 S HA 0.470 4.943 4.470 0.004 0.000 0.276 552 S C -0.564 174.029 174.600 -0.012 0.000 1.339 552 S CA 0.322 58.325 58.200 -0.330 0.000 1.039 552 S CB 1.474 64.091 63.200 -0.973 0.000 0.902 552 S HN 0.789 nan 8.310 nan 0.000 0.516 553 Q N 1.058 120.969 119.800 0.185 0.000 2.444 553 Q HA 0.325 4.668 4.340 0.004 0.000 0.251 553 Q C -0.550 175.585 176.000 0.225 0.000 0.939 553 Q CA -0.557 55.389 55.803 0.237 0.000 0.740 553 Q CB 0.815 29.781 28.738 0.381 0.000 1.308 553 Q HN 0.736 nan 8.270 nan 0.000 0.461 554 K N 0.960 121.476 120.400 0.194 0.000 2.358 554 K HA 0.311 4.634 4.320 0.004 0.000 0.197 554 K C -0.386 176.326 176.600 0.186 0.000 1.025 554 K CA 0.168 56.578 56.287 0.205 0.000 1.104 554 K CB 1.392 34.033 32.500 0.235 0.000 0.855 554 K HN 0.456 nan 8.250 nan 0.000 0.531 555 A N 2.633 125.563 122.820 0.182 0.000 2.394 555 A HA 0.369 4.692 4.320 0.004 0.000 0.333 555 A C -0.825 176.832 177.584 0.122 0.000 1.397 555 A CA -0.636 51.511 52.037 0.183 0.000 0.884 555 A CB -0.002 19.157 19.000 0.265 0.000 1.147 555 A HN 0.230 nan 8.150 nan 0.000 0.505 556 D N -0.323 120.125 120.400 0.080 0.000 2.636 556 D HA 0.485 5.127 4.640 0.004 0.000 0.275 556 D C 0.549 176.862 176.300 0.023 0.000 1.130 556 D CA 0.150 54.181 54.000 0.052 0.000 1.031 556 D CB 0.527 41.342 40.800 0.023 0.000 1.451 556 D HN 0.095 nan 8.370 nan 0.000 0.505 557 T N -2.368 112.216 114.554 0.050 0.000 3.235 557 T HA 0.264 4.616 4.350 0.004 0.000 0.251 557 T C 0.422 175.097 174.700 -0.041 0.000 1.060 557 T CA -0.441 61.685 62.100 0.044 0.000 0.949 557 T CB -0.678 68.260 68.868 0.116 0.000 1.020 557 T HN 0.237 nan 8.240 nan 0.000 0.564 558 V N 2.619 122.406 119.914 -0.212 0.000 2.614 558 V HA 0.331 4.453 4.120 0.004 0.000 0.291 558 V C 0.051 176.103 176.094 -0.070 0.000 1.049 558 V CA -0.947 61.197 62.300 -0.261 0.000 1.038 558 V CB 0.154 31.690 31.823 -0.479 0.000 0.980 558 V HN 0.566 nan 8.190 nan 0.000 0.481 559 F N 6.557 126.425 119.950 -0.137 0.000 2.410 559 F HA 0.591 5.121 4.527 0.004 0.000 0.348 559 F C 0.440 176.193 175.800 -0.078 0.000 1.106 559 F CA -0.208 57.734 58.000 -0.096 0.000 1.163 559 F CB 0.363 39.315 39.000 -0.080 0.000 1.129 559 F HN 0.410 nan 8.300 nan 0.000 0.516 560 R N 6.411 126.385 120.500 -0.876 0.000 2.621 560 R HA 0.497 4.839 4.340 0.004 0.000 0.284 560 R C -1.651 174.217 176.300 -0.720 0.000 0.998 560 R CA -0.997 54.757 56.100 -0.577 0.000 0.895 560 R CB 2.053 32.187 30.300 -0.278 0.000 1.195 560 R HN 0.670 nan 8.270 nan 0.000 0.450 561 L N 4.381 125.361 121.223 -0.406 0.000 2.297 561 L HA 0.395 4.738 4.340 0.004 0.000 0.277 561 L C -0.482 176.375 176.870 -0.020 0.000 1.040 561 L CA -0.650 54.011 54.840 -0.299 0.000 0.867 561 L CB 0.232 42.224 42.059 -0.110 0.000 1.244 561 L HN 0.710 nan 8.230 nan 0.000 0.433 562 N N 0.045 118.669 118.700 -0.127 0.000 3.343 562 N HA 0.169 4.911 4.740 0.004 0.000 0.330 562 N C 0.247 175.468 175.510 -0.482 0.000 1.560 562 N CA -0.943 51.958 53.050 -0.249 0.000 0.752 562 N CB 0.179 38.616 38.487 -0.083 0.000 1.863 562 N HN 0.278 nan 8.380 nan 0.000 0.636 563 W N 0.585 121.272 121.300 -1.022 0.000 2.342 563 W HA 0.057 4.719 4.660 0.003 0.000 0.297 563 W C 2.033 178.500 176.519 -0.087 0.000 1.213 563 W CA 2.983 59.970 57.345 -0.598 0.000 1.251 563 W CB -0.933 28.330 29.460 -0.329 0.000 1.136 563 W HN 0.700 nan 8.180 nan 0.000 0.526 564 A N -0.496 122.287 122.820 -0.063 0.000 1.940 564 A HA -0.226 4.097 4.320 0.004 0.000 0.219 564 A C 1.929 179.397 177.584 -0.193 0.000 1.176 564 A CA 2.580 54.523 52.037 -0.157 0.000 0.631 564 A CB -1.317 17.686 19.000 0.005 0.000 0.814 564 A HN 0.326 nan 8.150 nan 0.000 0.446 565 T N -1.364 113.093 114.554 -0.161 0.000 2.746 565 T HA -0.202 4.151 4.350 0.004 0.000 0.267 565 T C 1.772 176.469 174.700 -0.005 0.000 1.039 565 T CA 1.599 63.582 62.100 -0.195 0.000 1.142 565 T CB -0.520 68.078 68.868 -0.450 0.000 0.866 565 T HN 0.709 nan 8.240 nan 0.000 0.444 566 Y N 1.945 122.292 120.300 0.079 0.000 2.163 566 Y HA -0.039 4.513 4.550 0.003 0.000 0.288 566 Y C 2.025 177.901 175.900 -0.040 0.000 1.136 566 Y CA 1.002 59.195 58.100 0.154 0.000 1.147 566 Y CB -0.531 38.009 38.460 0.133 0.000 0.987 566 Y HN 0.060 nan 8.280 nan 0.000 0.509 567 L N 0.574 121.275 121.223 -0.871 0.000 2.079 567 L HA -0.233 4.109 4.340 0.004 0.000 0.210 567 L C 2.894 179.499 176.870 -0.443 0.000 1.081 567 L CA 1.253 55.569 54.840 -0.875 0.000 0.752 567 L CB -0.932 40.679 42.059 -0.747 0.000 0.896 567 L HN 0.452 nan 8.230 nan 0.000 0.433 568 A N -1.202 121.439 122.820 -0.298 0.000 1.872 568 A HA -0.198 4.124 4.320 0.004 0.000 0.214 568 A C 2.534 180.047 177.584 -0.119 0.000 1.187 568 A CA 1.941 53.866 52.037 -0.187 0.000 0.614 568 A CB -0.648 18.244 19.000 -0.180 0.000 0.826 568 A HN 0.336 nan 8.150 nan 0.000 0.442 569 S N -1.384 114.268 115.700 -0.080 0.000 2.357 569 S HA -0.099 4.373 4.470 0.004 0.000 0.221 569 S C 1.991 176.617 174.600 0.043 0.000 1.031 569 S CA 2.191 60.399 58.200 0.014 0.000 0.982 569 S CB -0.336 62.934 63.200 0.117 0.000 0.853 569 S HN 0.610 nan 8.310 nan 0.000 0.458 570 T N 1.032 115.595 114.554 0.015 0.000 3.004 570 T HA 0.196 4.548 4.350 0.004 0.000 0.243 570 T C 1.341 176.030 174.700 -0.019 0.000 1.020 570 T CA 0.400 62.536 62.100 0.059 0.000 1.145 570 T CB -0.140 68.864 68.868 0.228 0.000 0.876 570 T HN 0.245 nan 8.240 nan 0.000 0.449 571 E N 1.326 121.418 120.200 -0.180 0.000 2.479 571 E HA 0.167 4.520 4.350 0.004 0.000 0.193 571 E C -0.022 176.552 176.600 -0.044 0.000 1.049 571 E CA -0.094 56.233 56.400 -0.122 0.000 0.870 571 E CB -0.388 29.176 29.700 -0.226 0.000 0.944 571 E HN 0.505 nan 8.360 nan 0.000 0.492 572 N N 0.454 119.138 118.700 -0.027 0.000 2.721 572 N HA -0.200 4.542 4.740 0.004 0.000 0.249 572 N C -0.836 174.726 175.510 0.087 0.000 1.072 572 N CA 0.309 53.402 53.050 0.071 0.000 0.710 572 N CB -1.197 37.391 38.487 0.168 0.000 0.993 572 N HN 0.211 nan 8.380 nan 0.000 0.547 573 I N 0.933 121.485 120.570 -0.031 0.000 2.336 573 I HA 0.277 4.449 4.170 0.004 0.000 0.292 573 I C 0.681 176.751 176.117 -0.078 0.000 0.991 573 I CA -0.770 60.515 61.300 -0.025 0.000 1.227 573 I CB 1.049 39.052 38.000 0.005 0.000 1.366 573 I HN 0.040 nan 8.210 nan 0.000 0.466 574 I N 6.842 127.370 120.570 -0.069 0.000 2.587 574 I HA 0.007 4.180 4.170 0.004 0.000 0.284 574 I C -0.171 175.910 176.117 -0.060 0.000 1.134 574 I CA 0.096 61.322 61.300 -0.123 0.000 1.410 574 I CB 0.373 38.314 38.000 -0.098 0.000 1.392 574 I HN 0.248 nan 8.210 nan 0.000 0.545 575 V N 7.373 127.242 119.914 -0.076 0.000 2.350 575 V HA 0.557 4.679 4.120 0.004 0.000 0.276 575 V C 0.477 176.577 176.094 0.011 0.000 1.028 575 V CA -0.443 61.861 62.300 0.006 0.000 0.860 575 V CB 1.028 32.856 31.823 0.009 0.000 0.990 575 V HN 0.826 nan 8.190 nan 0.000 0.453 576 A N 4.229 127.076 122.820 0.046 0.000 2.340 576 A HA 0.919 5.242 4.320 0.004 0.000 0.331 576 A C -0.110 177.607 177.584 0.221 0.000 1.140 576 A CA -0.470 51.579 52.037 0.021 0.000 0.801 576 A CB 1.481 20.285 19.000 -0.327 0.000 1.234 576 A HN 0.705 nan 8.150 nan 0.000 0.469 577 S N 0.101 115.991 115.700 0.316 0.000 2.549 577 S HA 0.757 5.229 4.470 0.004 0.000 0.280 577 S C -1.363 173.583 174.600 0.577 0.000 1.109 577 S CA -0.328 58.112 58.200 0.401 0.000 0.905 577 S CB 1.324 64.699 63.200 0.292 0.000 1.081 577 S HN 0.737 nan 8.310 nan 0.000 0.477 578 F N 1.638 121.813 119.950 0.375 0.000 2.578 578 F HA 0.503 5.032 4.527 0.004 0.000 0.311 578 F C -1.556 174.418 175.800 0.289 0.000 1.094 578 F CA -0.687 57.548 58.000 0.392 0.000 0.923 578 F CB 1.623 40.828 39.000 0.343 0.000 1.230 578 F HN 0.417 nan 8.300 nan 0.000 0.450 579 D N 4.245 124.387 120.400 -0.429 0.000 2.460 579 D HA 0.340 4.982 4.640 0.004 0.000 0.232 579 D C 0.325 176.360 176.300 -0.441 0.000 1.079 579 D CA -0.014 53.841 54.000 -0.241 0.000 0.864 579 D CB 1.597 42.389 40.800 -0.013 0.000 1.048 579 D HN 0.771 nan 8.370 nan 0.000 0.523 580 G N 1.429 110.095 108.800 -0.224 0.000 2.666 580 G HA2 0.242 4.205 3.960 0.004 0.000 0.207 580 G HA3 0.242 4.205 3.960 0.004 0.000 0.207 580 G C 0.287 175.161 174.900 -0.044 0.000 1.481 580 G CA -0.580 44.413 45.100 -0.179 0.000 1.071 580 G HN 0.285 nan 8.290 nan 0.000 0.572 581 R N -0.848 119.600 120.500 -0.088 0.000 2.643 581 R HA 0.402 4.744 4.340 0.004 0.000 0.270 581 R C 1.227 177.576 176.300 0.082 0.000 1.061 581 R CA 1.268 57.417 56.100 0.082 0.000 1.107 581 R CB 0.641 30.975 30.300 0.056 0.000 0.999 581 R HN 0.982 nan 8.270 nan 0.000 0.460 582 G N 0.787 109.625 108.800 0.063 0.000 2.284 582 G HA2 -0.342 3.620 3.960 0.004 0.000 0.230 582 G HA3 -0.342 3.620 3.960 0.004 0.000 0.230 582 G C 0.183 175.029 174.900 -0.091 0.000 1.021 582 G CA 0.164 45.262 45.100 -0.003 0.000 0.619 582 G HN 0.739 nan 8.290 nan 0.000 0.510 583 S N 0.629 116.291 115.700 -0.064 0.000 2.580 583 S HA 0.600 5.072 4.470 0.004 0.000 0.266 583 S C 0.916 175.427 174.600 -0.148 0.000 1.354 583 S CA 0.648 58.786 58.200 -0.102 0.000 1.008 583 S CB 1.589 64.777 63.200 -0.019 0.000 0.898 583 S HN 1.742 nan 8.310 nan 0.000 0.555 584 G N -0.957 107.712 108.800 -0.217 0.000 2.705 584 G HA2 0.510 4.472 3.960 0.004 0.000 0.299 584 G HA3 0.510 4.472 3.960 0.004 0.000 0.299 584 G C -0.742 173.970 174.900 -0.313 0.000 1.315 584 G CA -1.021 43.803 45.100 -0.460 0.000 1.045 584 G HN 1.027 nan 8.290 nan 0.000 0.517 585 Y N -2.353 117.929 120.300 -0.030 0.000 4.753 585 Y HA -0.254 4.298 4.550 0.004 0.000 0.232 585 Y C 1.541 177.442 175.900 0.001 0.000 1.029 585 Y CA 1.185 59.284 58.100 -0.002 0.000 1.996 585 Y CB -1.660 36.819 38.460 0.032 0.000 1.602 585 Y HN 0.484 nan 8.280 nan 0.000 0.621 586 Q N 0.217 120.021 119.800 0.006 0.000 2.118 586 Q HA 0.484 4.826 4.340 0.004 0.000 0.219 586 Q C 0.979 176.845 176.000 -0.224 0.000 0.794 586 Q CA 0.244 56.059 55.803 0.021 0.000 1.035 586 Q CB 1.771 30.522 28.738 0.021 0.000 1.177 586 Q HN 0.539 nan 8.270 nan 0.000 0.478 587 G N 0.789 109.358 108.800 -0.385 0.000 2.712 587 G HA2 -0.206 3.757 3.960 0.004 0.000 0.683 587 G HA3 -0.206 3.757 3.960 0.004 0.000 0.683 587 G C -0.496 174.067 174.900 -0.561 0.000 1.320 587 G CA -0.401 44.247 45.100 -0.752 0.000 0.847 587 G HN 0.117 nan 8.290 nan 0.000 0.553 588 D N -0.228 119.851 120.400 -0.534 0.000 2.149 588 D HA -0.027 4.615 4.640 0.004 0.000 0.201 588 D C 2.264 178.412 176.300 -0.253 0.000 0.972 588 D CA 1.333 55.091 54.000 -0.404 0.000 0.835 588 D CB -0.054 40.664 40.800 -0.137 0.000 0.966 588 D HN 0.559 nan 8.370 nan 0.000 0.476 589 K N 0.470 120.726 120.400 -0.241 0.000 2.044 589 K HA -0.147 4.175 4.320 0.004 0.000 0.210 589 K C 2.109 178.650 176.600 -0.099 0.000 1.049 589 K CA 0.995 57.201 56.287 -0.136 0.000 0.927 589 K CB -0.149 32.274 32.500 -0.128 0.000 0.713 589 K HN 0.098 nan 8.250 nan 0.000 0.443 590 I N 0.466 120.954 120.570 -0.137 0.000 2.162 590 I HA -0.273 3.899 4.170 0.004 0.000 0.238 590 I C 2.692 178.768 176.117 -0.069 0.000 1.076 590 I CA 1.149 62.425 61.300 -0.039 0.000 1.353 590 I CB -0.119 37.869 38.000 -0.021 0.000 1.063 590 I HN 0.318 nan 8.210 nan 0.000 0.408 591 M N -0.022 119.448 119.600 -0.216 0.000 2.067 591 M HA -0.252 4.230 4.480 0.004 0.000 0.260 591 M C 2.259 178.429 176.300 -0.218 0.000 1.069 591 M CA 1.846 56.981 55.300 -0.274 0.000 1.117 591 M CB -0.373 31.938 32.600 -0.481 0.000 1.334 591 M HN 0.285 nan 8.290 nan 0.000 0.407 592 H N -0.179 118.770 119.070 -0.202 0.000 2.561 592 H HA 0.072 4.630 4.556 0.004 0.000 0.278 592 H C 1.903 177.247 175.328 0.026 0.000 1.014 592 H CA 1.018 56.966 56.048 -0.166 0.000 1.211 592 H CB -0.492 29.096 29.762 -0.290 0.000 1.365 592 H HN 0.514 nan 8.280 nan 0.000 0.594 593 A N 1.572 124.471 122.820 0.133 0.000 2.139 593 A HA -0.133 4.189 4.320 0.004 0.000 0.221 593 A C 2.002 179.778 177.584 0.319 0.000 1.159 593 A CA 1.391 53.537 52.037 0.182 0.000 0.662 593 A CB -0.484 18.584 19.000 0.115 0.000 0.796 593 A HN 0.396 nan 8.150 nan 0.000 0.463 594 I N -2.555 118.167 120.570 0.254 0.000 3.974 594 I HA 0.162 4.335 4.170 0.004 0.000 0.334 594 I C 0.066 176.266 176.117 0.137 0.000 1.437 594 I CA -0.786 60.620 61.300 0.177 0.000 1.113 594 I CB -1.817 36.254 38.000 0.119 0.000 1.063 594 I HN 0.262 nan 8.210 nan 0.000 0.400 595 N N 3.067 121.926 118.700 0.264 0.000 2.292 595 N HA -0.111 4.631 4.740 0.004 0.000 0.258 595 N C 0.229 175.781 175.510 0.070 0.000 1.261 595 N CA 0.517 53.733 53.050 0.278 0.000 0.845 595 N CB 0.300 38.958 38.487 0.284 0.000 1.064 595 N HN 0.311 nan 8.380 nan 0.000 0.471 596 R N 0.647 121.154 120.500 0.012 0.000 4.023 596 R HA -0.168 4.174 4.340 0.004 0.000 0.368 596 R C -0.232 175.876 176.300 -0.321 0.000 1.187 596 R CA 0.956 56.992 56.100 -0.106 0.000 1.089 596 R CB -0.744 29.520 30.300 -0.059 0.000 1.574 596 R HN 0.677 nan 8.270 nan 0.000 0.564 597 R N 0.305 120.607 120.500 -0.330 0.000 2.688 597 R HA 0.183 4.525 4.340 0.004 0.000 0.396 597 R C -0.616 175.577 176.300 -0.178 0.000 1.081 597 R CA -0.653 55.083 56.100 -0.606 0.000 1.093 597 R CB 0.417 30.438 30.300 -0.465 0.000 1.338 597 R HN -0.103 nan 8.270 nan 0.000 0.613 598 L N 0.488 121.697 121.223 -0.023 0.000 2.543 598 L HA 0.107 4.449 4.340 0.004 0.000 0.285 598 L C 1.604 178.722 176.870 0.413 0.000 1.236 598 L CA 1.805 56.708 54.840 0.105 0.000 0.871 598 L CB 0.077 41.952 42.059 -0.308 0.000 1.121 598 L HN 0.771 nan 8.230 nan 0.000 0.501 599 G N 0.968 110.048 108.800 0.467 0.000 2.159 599 G HA2 -0.331 3.631 3.960 0.004 0.000 0.256 599 G HA3 -0.331 3.631 3.960 0.004 0.000 0.256 599 G C 0.686 175.682 174.900 0.161 0.000 0.977 599 G CA 1.089 46.425 45.100 0.393 0.000 0.652 599 G HN 0.876 nan 8.290 nan 0.000 0.531 600 T N -2.626 111.971 114.554 0.070 0.000 3.555 600 T HA 0.463 4.816 4.350 0.004 0.000 0.201 600 T C 1.744 176.391 174.700 -0.088 0.000 0.850 600 T CA 1.132 63.149 62.100 -0.139 0.000 1.646 600 T CB -0.194 68.383 68.868 -0.485 0.000 1.774 600 T HN 0.115 nan 8.240 nan 0.000 0.447 601 F N 3.227 123.220 119.950 0.072 0.000 2.146 601 F HA 0.128 4.657 4.527 0.004 0.000 0.298 601 F C 2.827 178.653 175.800 0.044 0.000 1.096 601 F CA 0.956 58.980 58.000 0.039 0.000 1.275 601 F CB -0.760 38.253 39.000 0.022 0.000 1.008 601 F HN 0.466 nan 8.300 nan 0.000 0.480 602 E N 0.855 121.197 120.200 0.237 0.000 2.204 602 E HA -0.138 4.214 4.350 0.004 0.000 0.195 602 E C 2.001 178.708 176.600 0.178 0.000 0.990 602 E CA 1.524 58.037 56.400 0.188 0.000 0.821 602 E CB -0.942 28.866 29.700 0.181 0.000 0.750 602 E HN 0.316 nan 8.360 nan 0.000 0.477 603 V N 1.400 121.403 119.914 0.148 0.000 2.446 603 V HA -0.136 3.987 4.120 0.004 0.000 0.244 603 V C 2.322 178.459 176.094 0.072 0.000 1.039 603 V CA 1.695 64.042 62.300 0.079 0.000 1.045 603 V CB -0.476 31.353 31.823 0.009 0.000 0.681 603 V HN 0.175 nan 8.190 nan 0.000 0.459 604 E N 0.328 120.587 120.200 0.098 0.000 2.153 604 E HA -0.240 4.112 4.350 0.004 0.000 0.194 604 E C 1.736 178.365 176.600 0.048 0.000 0.988 604 E CA 1.548 58.001 56.400 0.089 0.000 0.811 604 E CB -0.096 29.698 29.700 0.156 0.000 0.746 604 E HN 0.606 nan 8.360 nan 0.000 0.466 605 D N -0.076 120.362 120.400 0.063 0.000 2.289 605 D HA -0.088 4.555 4.640 0.004 0.000 0.207 605 D C 1.856 178.116 176.300 -0.066 0.000 0.966 605 D CA 0.480 54.479 54.000 -0.002 0.000 0.868 605 D CB -0.026 40.817 40.800 0.072 0.000 0.943 605 D HN 0.053 nan 8.370 nan 0.000 0.514 606 Q N 0.274 120.113 119.800 0.066 0.000 2.079 606 Q HA -0.026 4.316 4.340 0.004 0.000 0.200 606 Q C 2.457 178.500 176.000 0.072 0.000 0.974 606 Q CA 0.577 56.434 55.803 0.090 0.000 0.840 606 Q CB -0.064 28.761 28.738 0.144 0.000 0.898 606 Q HN 0.412 nan 8.270 nan 0.000 0.430 607 I N 0.612 121.241 120.570 0.100 0.000 2.113 607 I HA -0.271 3.902 4.170 0.004 0.000 0.238 607 I C 2.422 178.484 176.117 -0.091 0.000 1.070 607 I CA 1.254 62.641 61.300 0.144 0.000 1.332 607 I CB -0.333 37.743 38.000 0.126 0.000 1.044 607 I HN 0.159 nan 8.210 nan 0.000 0.402 608 E N 1.489 121.593 120.200 -0.161 0.000 2.086 608 E HA -0.269 4.083 4.350 0.004 0.000 0.200 608 E C 2.050 178.360 176.600 -0.482 0.000 1.012 608 E CA 2.063 58.304 56.400 -0.266 0.000 0.812 608 E CB -0.267 29.295 29.700 -0.230 0.000 0.743 608 E HN 0.446 nan 8.360 nan 0.000 0.453 609 A N 0.599 122.967 122.820 -0.753 0.000 1.877 609 A HA -0.077 4.245 4.320 0.004 0.000 0.216 609 A C 2.467 179.316 177.584 -1.226 0.000 1.186 609 A CA 2.411 53.678 52.037 -1.284 0.000 0.620 609 A CB -1.121 16.810 19.000 -1.782 0.000 0.822 609 A HN 0.408 nan 8.150 nan 0.000 0.443 610 A N -0.625 121.842 122.820 -0.589 0.000 1.972 610 A HA -0.134 4.188 4.320 0.004 0.000 0.219 610 A C 2.246 179.653 177.584 -0.295 0.000 1.169 610 A CA 1.390 53.282 52.037 -0.242 0.000 0.635 610 A CB -0.442 18.502 19.000 -0.092 0.000 0.810 610 A HN 0.538 nan 8.150 nan 0.000 0.446 611 R N -0.732 119.566 120.500 -0.336 0.000 2.073 611 R HA -0.120 4.222 4.340 0.004 0.000 0.234 611 R C 2.334 178.467 176.300 -0.278 0.000 1.134 611 R CA 1.465 57.405 56.100 -0.268 0.000 0.952 611 R CB -0.328 29.839 30.300 -0.221 0.000 0.850 611 R HN 0.560 nan 8.270 nan 0.000 0.433 612 Q N -0.205 119.356 119.800 -0.398 0.000 2.170 612 Q HA -0.142 4.200 4.340 0.004 0.000 0.203 612 Q C 2.007 177.825 176.000 -0.303 0.000 0.976 612 Q CA 1.314 56.894 55.803 -0.372 0.000 0.858 612 Q CB -0.175 28.286 28.738 -0.462 0.000 0.907 612 Q HN 0.277 nan 8.270 nan 0.000 0.433 613 F N 1.070 120.847 119.950 -0.287 0.000 2.146 613 F HA -0.109 4.420 4.527 0.003 0.000 0.298 613 F C 2.581 178.192 175.800 -0.315 0.000 1.096 613 F CA 0.877 58.692 58.000 -0.308 0.000 1.275 613 F CB -1.045 37.816 39.000 -0.232 0.000 1.008 613 F HN -0.054 nan 8.300 nan 0.000 0.480 614 S N -0.188 115.472 115.700 -0.066 0.000 2.400 614 S HA -0.180 4.292 4.470 0.004 0.000 0.232 614 S C 1.689 176.201 174.600 -0.146 0.000 1.025 614 S CA 1.130 59.260 58.200 -0.117 0.000 0.993 614 S CB -0.371 62.756 63.200 -0.121 0.000 0.808 614 S HN 0.391 nan 8.310 nan 0.000 0.478 615 K N 0.452 120.763 120.400 -0.149 0.000 2.458 615 K HA 0.252 4.574 4.320 0.004 0.000 0.194 615 K C 1.042 177.551 176.600 -0.152 0.000 1.024 615 K CA 0.153 56.360 56.287 -0.133 0.000 1.108 615 K CB -0.076 32.355 32.500 -0.115 0.000 0.846 615 K HN 0.417 nan 8.250 nan 0.000 0.518 616 M N -0.489 118.965 119.600 -0.243 0.000 2.495 616 M HA 0.033 4.515 4.480 0.004 0.000 0.237 616 M C 1.128 177.175 176.300 -0.421 0.000 1.131 616 M CA 0.481 55.576 55.300 -0.343 0.000 1.032 616 M CB 0.464 32.740 32.600 -0.539 0.000 1.513 616 M HN 0.463 nan 8.290 nan 0.000 0.488 617 G N 1.379 110.001 108.800 -0.295 0.000 2.729 617 G HA2 -0.336 3.626 3.960 0.004 0.000 0.216 617 G HA3 -0.336 3.626 3.960 0.004 0.000 0.216 617 G C 0.511 175.381 174.900 -0.050 0.000 1.252 617 G CA 0.362 45.391 45.100 -0.118 0.000 0.751 617 G HN 0.574 nan 8.290 nan 0.000 0.527 618 F N 1.738 121.761 119.950 0.121 0.000 2.725 618 F HA 0.715 5.244 4.527 0.004 0.000 0.303 618 F C 0.381 176.311 175.800 0.216 0.000 1.167 618 F CA -0.529 57.584 58.000 0.188 0.000 1.403 618 F CB -0.000 39.209 39.000 0.350 0.000 1.077 618 F HN 0.135 nan 8.300 nan 0.000 0.537 619 V N 1.387 121.312 119.914 0.019 0.000 2.435 619 V HA 0.154 4.276 4.120 0.004 0.000 0.290 619 V C -0.514 175.578 176.094 -0.004 0.000 1.030 619 V CA -0.858 61.464 62.300 0.035 0.000 0.881 619 V CB 1.477 33.255 31.823 -0.074 0.000 0.983 619 V HN 0.083 nan 8.190 nan 0.000 0.445 620 D N 4.151 124.545 120.400 -0.010 0.000 2.422 620 D HA 0.046 4.689 4.640 0.004 0.000 0.227 620 D C 1.130 177.392 176.300 -0.062 0.000 1.190 620 D CA -0.324 53.642 54.000 -0.058 0.000 0.905 620 D CB 0.548 41.288 40.800 -0.100 0.000 1.034 620 D HN 0.642 nan 8.370 nan 0.000 0.507 621 N N 3.120 121.784 118.700 -0.059 0.000 2.571 621 N HA -0.138 4.604 4.740 0.004 0.000 0.189 621 N C 0.569 176.050 175.510 -0.048 0.000 1.154 621 N CA 0.518 53.529 53.050 -0.065 0.000 0.907 621 N CB -0.083 38.356 38.487 -0.080 0.000 0.977 621 N HN 0.370 nan 8.380 nan 0.000 0.449 622 K N -0.261 120.119 120.400 -0.033 0.000 2.393 622 K HA 0.177 4.500 4.320 0.004 0.000 0.193 622 K C 0.107 176.731 176.600 0.040 0.000 1.026 622 K CA 0.192 56.478 56.287 -0.003 0.000 1.064 622 K CB 0.512 33.007 32.500 -0.008 0.000 0.833 622 K HN 0.120 nan 8.250 nan 0.000 0.521 623 R N 1.301 121.810 120.500 0.015 0.000 2.639 623 R HA 0.372 4.715 4.340 0.004 0.000 0.273 623 R C -1.179 175.169 176.300 0.081 0.000 1.732 623 R CA -0.129 56.013 56.100 0.070 0.000 1.586 623 R CB 0.719 30.871 30.300 -0.246 0.000 1.263 623 R HN -0.003 nan 8.270 nan 0.000 0.615 624 I N 1.342 122.073 120.570 0.268 0.000 2.447 624 I HA 0.540 4.712 4.170 0.004 0.000 0.287 624 I C -0.147 176.279 176.117 0.515 0.000 1.023 624 I CA -0.764 60.713 61.300 0.296 0.000 1.083 624 I CB 2.027 40.049 38.000 0.037 0.000 1.245 624 I HN 0.376 nan 8.210 nan 0.000 0.434 625 A N 6.882 130.083 122.820 0.636 0.000 2.309 625 A HA 0.947 5.269 4.320 0.004 0.000 0.317 625 A C -1.036 176.886 177.584 0.563 0.000 1.134 625 A CA -0.678 51.687 52.037 0.546 0.000 0.866 625 A CB 1.968 21.160 19.000 0.320 0.000 1.329 625 A HN 0.747 nan 8.150 nan 0.000 0.477 626 I N 0.324 121.138 120.570 0.406 0.000 2.692 626 I HA 0.669 4.841 4.170 0.004 0.000 0.293 626 I C -1.900 174.455 176.117 0.397 0.000 1.200 626 I CA -0.549 60.922 61.300 0.286 0.000 1.036 626 I CB 1.542 39.421 38.000 -0.201 0.000 1.258 626 I HN 0.937 nan 8.210 nan 0.000 0.421 627 W N 7.231 128.661 121.300 0.216 0.000 3.118 627 W HA 0.866 5.528 4.660 0.003 0.000 0.328 627 W C -1.475 175.194 176.519 0.250 0.000 1.239 627 W CA -0.944 56.540 57.345 0.231 0.000 1.176 627 W CB 1.221 30.871 29.460 0.317 0.000 1.433 627 W HN 0.851 nan 8.180 nan 0.000 0.562 628 G N 0.857 109.532 108.800 -0.208 0.000 2.547 628 G HA2 0.439 4.401 3.960 0.004 0.000 0.291 628 G HA3 0.439 4.401 3.960 0.004 0.000 0.291 628 G C -2.730 172.082 174.900 -0.146 0.000 1.471 628 G CA -0.738 44.095 45.100 -0.445 0.000 0.798 628 G HN 0.627 nan 8.290 nan 0.000 0.504 629 W N 1.034 122.157 121.300 -0.294 0.000 2.706 629 W HA 0.537 5.201 4.660 0.006 0.000 0.346 629 W C 1.093 177.594 176.519 -0.029 0.000 1.071 629 W CA 0.576 57.845 57.345 -0.126 0.000 1.206 629 W CB 1.817 31.188 29.460 -0.149 0.000 1.413 629 W HN 1.118 nan 8.180 nan 0.000 0.542 630 S N 1.741 117.660 115.700 0.365 0.000 4.149 630 S HA -0.451 4.021 4.470 0.004 0.000 0.539 630 S C 1.001 175.734 174.600 0.222 0.000 1.811 630 S CA 1.922 60.329 58.200 0.345 0.000 4.174 630 S CB -1.646 61.830 63.200 0.460 0.000 0.756 630 S HN 0.753 nan 8.310 nan 0.000 0.470 631 Y N 3.134 123.546 120.300 0.188 0.000 2.207 631 Y HA -0.056 4.496 4.550 0.004 0.000 0.287 631 Y C 2.633 178.740 175.900 0.345 0.000 1.156 631 Y CA 1.994 60.292 58.100 0.330 0.000 1.182 631 Y CB -0.967 37.791 38.460 0.497 0.000 0.979 631 Y HN 0.552 nan 8.280 nan 0.000 0.521 632 G N -0.965 108.116 108.800 0.469 0.000 2.422 632 G HA2 -0.237 3.726 3.960 0.004 0.000 0.218 632 G HA3 -0.237 3.726 3.960 0.004 0.000 0.218 632 G C 1.872 176.862 174.900 0.151 0.000 1.146 632 G CA 0.752 46.026 45.100 0.290 0.000 0.769 632 G HN 0.571 nan 8.290 nan 0.000 0.547 633 G N 0.056 108.931 108.800 0.125 0.000 2.421 633 G HA2 -0.281 3.681 3.960 0.004 0.000 0.216 633 G HA3 -0.281 3.681 3.960 0.004 0.000 0.216 633 G C 1.582 176.531 174.900 0.081 0.000 1.171 633 G CA 1.137 46.279 45.100 0.070 0.000 0.775 633 G HN 0.482 nan 8.290 nan 0.000 0.543 634 Y N 1.051 121.306 120.300 -0.075 0.000 2.097 634 Y HA -0.197 4.355 4.550 0.003 0.000 0.282 634 Y C 2.860 178.715 175.900 -0.075 0.000 1.152 634 Y CA 2.118 60.116 58.100 -0.169 0.000 1.136 634 Y CB -0.356 37.854 38.460 -0.417 0.000 0.975 634 Y HN 0.040 nan 8.280 nan 0.000 0.498 635 V N 0.129 119.938 119.914 -0.176 0.000 2.261 635 V HA -0.351 3.771 4.120 0.004 0.000 0.246 635 V C 2.308 178.303 176.094 -0.165 0.000 1.047 635 V CA 2.439 64.624 62.300 -0.193 0.000 1.015 635 V CB -1.238 30.666 31.823 0.134 0.000 0.642 635 V HN 0.550 nan 8.190 nan 0.000 0.446 636 T N 0.239 114.760 114.554 -0.056 0.000 2.597 636 T HA -0.263 4.089 4.350 0.004 0.000 0.267 636 T C 2.098 176.751 174.700 -0.078 0.000 1.053 636 T CA 2.251 64.319 62.100 -0.054 0.000 1.165 636 T CB -0.419 68.493 68.868 0.075 0.000 0.863 636 T HN 0.544 nan 8.240 nan 0.000 0.427 637 S N 0.987 116.685 115.700 -0.004 0.000 2.370 637 S HA -0.061 4.411 4.470 0.004 0.000 0.226 637 S C 2.142 176.678 174.600 -0.106 0.000 1.033 637 S CA 1.023 59.250 58.200 0.045 0.000 1.011 637 S CB -0.339 62.939 63.200 0.129 0.000 0.852 637 S HN 0.287 nan 8.310 nan 0.000 0.457 638 M N 0.878 120.315 119.600 -0.271 0.000 2.108 638 M HA -0.036 4.447 4.480 0.004 0.000 0.261 638 M C 2.254 178.405 176.300 -0.248 0.000 1.066 638 M CA 1.112 56.227 55.300 -0.307 0.000 1.107 638 M CB -1.460 30.834 32.600 -0.509 0.000 1.356 638 M HN 0.186 nan 8.290 nan 0.000 0.406 639 V N 0.419 120.178 119.914 -0.258 0.000 2.307 639 V HA -0.232 3.891 4.120 0.004 0.000 0.245 639 V C 2.460 178.368 176.094 -0.310 0.000 1.045 639 V CA 1.367 63.513 62.300 -0.257 0.000 1.024 639 V CB -0.467 31.139 31.823 -0.361 0.000 0.651 639 V HN 0.392 nan 8.190 nan 0.000 0.449 640 L N 0.166 121.143 121.223 -0.410 0.000 2.353 640 L HA -0.050 4.293 4.340 0.004 0.000 0.220 640 L C 2.063 178.408 176.870 -0.874 0.000 1.133 640 L CA 1.359 55.875 54.840 -0.541 0.000 0.798 640 L CB -0.547 41.196 42.059 -0.527 0.000 0.922 640 L HN 0.473 nan 8.230 nan 0.000 0.445 641 G N -1.826 106.482 108.800 -0.820 0.000 3.277 641 G HA2 -0.042 3.920 3.960 0.004 0.000 0.243 641 G HA3 -0.042 3.920 3.960 0.004 0.000 0.243 641 G C 1.464 176.195 174.900 -0.281 0.000 1.107 641 G CA 0.541 45.211 45.100 -0.716 0.000 0.771 641 G HN 0.367 nan 8.290 nan 0.000 0.544 642 S N 0.010 115.577 115.700 -0.222 0.000 2.481 642 S HA 0.261 4.733 4.470 0.004 0.000 0.231 642 S C 1.890 176.445 174.600 -0.075 0.000 0.996 642 S CA 1.112 59.247 58.200 -0.108 0.000 0.942 642 S CB -0.321 62.839 63.200 -0.066 0.000 0.768 642 S HN 1.442 nan 8.310 nan 0.000 0.520 643 G N 1.247 109.989 108.800 -0.097 0.000 2.272 643 G HA2 -0.289 3.673 3.960 0.004 0.000 0.280 643 G HA3 -0.289 3.673 3.960 0.004 0.000 0.280 643 G C 0.709 175.596 174.900 -0.021 0.000 1.067 643 G CA 0.808 45.875 45.100 -0.056 0.000 0.902 643 G HN 1.332 nan 8.290 nan 0.000 0.500 644 S N -1.310 114.391 115.700 0.001 0.000 2.478 644 S HA 0.382 4.855 4.470 0.004 0.000 0.222 644 S C 2.419 177.020 174.600 0.001 0.000 1.008 644 S CA 1.424 59.633 58.200 0.014 0.000 0.928 644 S CB 0.156 63.389 63.200 0.055 0.000 0.781 644 S HN 2.372 nan 8.310 nan 0.000 0.518 645 G N 0.548 109.355 108.800 0.012 0.000 2.245 645 G HA2 -0.332 3.630 3.960 0.004 0.000 0.264 645 G HA3 -0.332 3.630 3.960 0.004 0.000 0.264 645 G C 0.883 175.766 174.900 -0.029 0.000 0.985 645 G CA 0.472 45.571 45.100 -0.001 0.000 0.625 645 G HN 0.702 nan 8.290 nan 0.000 0.536 646 V N -0.299 119.570 119.914 -0.076 0.000 2.427 646 V HA 0.152 4.275 4.120 0.004 0.000 0.248 646 V C 1.324 177.196 176.094 -0.370 0.000 1.051 646 V CA 1.761 63.882 62.300 -0.298 0.000 1.048 646 V CB -0.446 31.033 31.823 -0.573 0.000 0.666 646 V HN 0.323 nan 8.190 nan 0.000 0.456 647 F N 0.001 119.969 119.950 0.031 0.000 2.415 647 F HA 0.387 4.916 4.527 0.003 0.000 0.348 647 F C 1.108 176.954 175.800 0.076 0.000 1.119 647 F CA -0.515 57.529 58.000 0.074 0.000 1.069 647 F CB 1.270 40.314 39.000 0.073 0.000 1.124 647 F HN -0.230 nan 8.300 nan 0.000 0.472 648 K N 2.006 122.563 120.400 0.262 0.000 2.228 648 K HA 0.058 4.380 4.320 0.004 0.000 0.202 648 K C -0.066 176.657 176.600 0.205 0.000 1.051 648 K CA 0.895 57.298 56.287 0.194 0.000 0.960 648 K CB 0.195 32.807 32.500 0.186 0.000 0.743 648 K HN 0.823 nan 8.250 nan 0.000 0.458 649 c N -3.834 114.928 118.600 0.269 0.000 3.259 649 c HA 0.846 5.418 4.570 0.004 0.000 0.344 649 c C -0.306 173.991 174.090 0.346 0.000 1.401 649 c CA -0.589 55.911 56.329 0.285 0.000 1.219 649 c CB 1.059 43.675 42.510 0.177 0.000 1.521 649 c HN 0.304 nan 8.230 nan 0.000 0.455 650 G N -0.208 108.862 108.800 0.450 0.000 2.623 650 G HA2 0.755 4.717 3.960 0.004 0.000 0.290 650 G HA3 0.755 4.717 3.960 0.004 0.000 0.290 650 G C -2.079 173.065 174.900 0.407 0.000 1.437 650 G CA -0.701 44.650 45.100 0.418 0.000 0.798 650 G HN 1.095 nan 8.290 nan 0.000 0.488 651 I N 0.244 121.020 120.570 0.344 0.000 2.569 651 I HA 0.629 4.802 4.170 0.004 0.000 0.290 651 I C -0.158 176.094 176.117 0.225 0.000 1.088 651 I CA -1.042 60.346 61.300 0.148 0.000 1.047 651 I CB 2.372 40.464 38.000 0.153 0.000 1.237 651 I HN 0.705 nan 8.210 nan 0.000 0.421 652 A N 6.208 129.038 122.820 0.016 0.000 2.332 652 A HA 0.755 5.077 4.320 0.004 0.000 0.300 652 A C -0.956 176.543 177.584 -0.142 0.000 1.153 652 A CA -0.495 51.562 52.037 0.032 0.000 0.764 652 A CB 1.222 20.303 19.000 0.135 0.000 1.174 652 A HN 0.411 nan 8.150 nan 0.000 0.467 653 V N 2.088 121.875 119.914 -0.211 0.000 2.370 653 V HA 0.587 4.709 4.120 0.004 0.000 0.283 653 V C 0.926 176.599 176.094 -0.703 0.000 1.023 653 V CA 0.511 62.461 62.300 -0.584 0.000 0.857 653 V CB 0.610 31.809 31.823 -1.040 0.000 0.985 653 V HN 2.207 nan 8.190 nan 0.000 0.443 654 A N 5.486 127.914 122.820 -0.653 0.000 2.846 654 A HA -0.081 4.242 4.320 0.004 0.000 0.287 654 A C -1.823 175.602 177.584 -0.266 0.000 1.469 654 A CA 0.247 51.832 52.037 -0.752 0.000 0.757 654 A CB -1.780 16.841 19.000 -0.633 0.000 1.033 654 A HN 0.614 nan 8.150 nan 0.000 0.516 655 P HA 0.395 nan 4.420 nan 0.000 0.279 655 P C 0.296 177.562 177.300 -0.056 0.000 1.239 655 P CA -0.007 63.070 63.100 -0.037 0.000 0.789 655 P CB 1.231 32.940 31.700 0.015 0.000 0.933 656 V N 3.050 122.845 119.914 -0.199 0.000 2.585 656 V HA -0.034 4.089 4.120 0.004 0.000 0.296 656 V C 1.928 177.834 176.094 -0.314 0.000 1.035 656 V CA 1.124 63.160 62.300 -0.440 0.000 1.084 656 V CB 0.371 31.517 31.823 -1.129 0.000 0.953 656 V HN 0.791 nan 8.190 nan 0.000 0.483 657 S N 5.209 120.769 115.700 -0.234 0.000 2.460 657 S HA 0.180 4.652 4.470 0.004 0.000 0.226 657 S C 0.615 175.015 174.600 -0.333 0.000 1.057 657 S CA -0.304 57.803 58.200 -0.156 0.000 0.948 657 S CB 0.243 63.421 63.200 -0.036 0.000 0.822 657 S HN 0.818 nan 8.310 nan 0.000 0.512 658 R N -1.199 118.977 120.500 -0.540 0.000 2.651 658 R HA 0.414 4.757 4.340 0.004 0.000 0.278 658 R C -0.846 175.105 176.300 -0.582 0.000 1.010 658 R CA -0.945 54.770 56.100 -0.642 0.000 0.896 658 R CB 0.252 30.212 30.300 -0.567 0.000 1.211 658 R HN 0.230 nan 8.270 nan 0.000 0.456 659 W N 1.230 122.456 121.300 -0.123 0.000 2.421 659 W HA -0.028 4.635 4.660 0.005 0.000 0.270 659 W C 1.172 177.848 176.519 0.262 0.000 1.233 659 W CA 0.706 58.088 57.345 0.061 0.000 1.226 659 W CB 0.136 29.581 29.460 -0.025 0.000 1.121 659 W HN 0.714 nan 8.180 nan 0.000 0.579 660 E N -0.957 119.441 120.200 0.330 0.000 2.478 660 E HA -0.173 4.179 4.350 0.004 0.000 0.198 660 E C 1.336 178.149 176.600 0.354 0.000 1.046 660 E CA 0.706 57.260 56.400 0.256 0.000 0.870 660 E CB -0.200 29.546 29.700 0.077 0.000 0.818 660 E HN 0.355 nan 8.360 nan 0.000 0.527 661 Y N -1.141 119.263 120.300 0.173 0.000 2.347 661 Y HA 0.032 4.584 4.550 0.003 0.000 0.294 661 Y C 0.954 176.974 175.900 0.200 0.000 1.117 661 Y CA -0.295 57.879 58.100 0.123 0.000 1.184 661 Y CB -0.605 37.868 38.460 0.021 0.000 1.047 661 Y HN 0.016 nan 8.280 nan 0.000 0.546 662 Y N 2.404 122.875 120.300 0.285 0.000 2.296 662 Y HA 0.168 4.720 4.550 0.004 0.000 0.343 662 Y C 0.564 176.717 175.900 0.421 0.000 1.292 662 Y CA -1.451 56.837 58.100 0.313 0.000 1.490 662 Y CB 0.135 38.823 38.460 0.380 0.000 1.359 662 Y HN 0.244 nan 8.280 nan 0.000 0.599 663 D N -0.578 119.653 120.400 -0.281 0.000 2.368 663 D HA 0.099 4.741 4.640 0.004 0.000 0.240 663 D C 0.907 177.247 176.300 0.067 0.000 1.169 663 D CA 0.337 54.218 54.000 -0.197 0.000 0.906 663 D CB 0.809 41.287 40.800 -0.537 0.000 1.187 663 D HN 0.467 nan 8.370 nan 0.000 0.435 664 S N 1.062 116.796 115.700 0.057 0.000 2.343 664 S HA -0.219 4.253 4.470 0.004 0.000 0.219 664 S C 1.994 176.655 174.600 0.101 0.000 1.033 664 S CA 1.125 59.402 58.200 0.129 0.000 1.014 664 S CB -1.091 62.191 63.200 0.137 0.000 0.915 664 S HN 0.436 nan 8.310 nan 0.000 0.435 665 V N 1.279 121.188 119.914 -0.007 0.000 2.231 665 V HA -0.252 3.871 4.120 0.004 0.000 0.250 665 V C 2.340 178.364 176.094 -0.116 0.000 1.058 665 V CA 2.541 64.723 62.300 -0.196 0.000 1.022 665 V CB -1.135 30.402 31.823 -0.478 0.000 0.640 665 V HN 0.624 nan 8.190 nan 0.000 0.445 666 Y N 1.021 121.285 120.300 -0.060 0.000 2.163 666 Y HA -0.214 4.338 4.550 0.004 0.000 0.288 666 Y C 2.682 178.641 175.900 0.099 0.000 1.136 666 Y CA 2.260 60.405 58.100 0.075 0.000 1.147 666 Y CB -0.507 38.172 38.460 0.365 0.000 0.987 666 Y HN 0.244 nan 8.280 nan 0.000 0.509 667 T N 0.311 115.051 114.554 0.310 0.000 2.737 667 T HA -0.169 4.183 4.350 0.004 0.000 0.265 667 T C 1.516 176.207 174.700 -0.015 0.000 1.038 667 T CA 1.874 64.109 62.100 0.225 0.000 1.144 667 T CB -0.246 68.917 68.868 0.490 0.000 0.866 667 T HN 0.446 nan 8.240 nan 0.000 0.434 668 E N 0.638 120.855 120.200 0.029 0.000 2.274 668 E HA -0.031 4.321 4.350 0.004 0.000 0.194 668 E C 2.299 178.798 176.600 -0.168 0.000 0.996 668 E CA 0.246 56.657 56.400 0.018 0.000 0.840 668 E CB -0.095 29.665 29.700 0.100 0.000 0.772 668 E HN 0.310 nan 8.360 nan 0.000 0.491 669 R N 0.228 120.473 120.500 -0.425 0.000 2.159 669 R HA -0.177 4.165 4.340 0.004 0.000 0.237 669 R C 0.840 176.563 176.300 -0.961 0.000 1.131 669 R CA 1.432 57.078 56.100 -0.757 0.000 0.982 669 R CB 0.102 29.671 30.300 -1.219 0.000 0.868 669 R HN 0.274 nan 8.270 nan 0.000 0.453 670 Y N -2.620 117.386 120.300 -0.490 0.000 2.467 670 Y HA 0.255 4.807 4.550 0.004 0.000 0.259 670 Y C 1.661 177.376 175.900 -0.307 0.000 1.084 670 Y CA -0.222 57.583 58.100 -0.492 0.000 1.275 670 Y CB 0.474 38.491 38.460 -0.738 0.000 1.208 670 Y HN -0.099 nan 8.280 nan 0.000 0.511 671 M N -0.105 119.393 119.600 -0.170 0.000 2.337 671 M HA 0.367 4.849 4.480 0.004 0.000 0.256 671 M C 1.093 177.401 176.300 0.013 0.000 1.075 671 M CA 0.801 55.985 55.300 -0.195 0.000 1.024 671 M CB -0.201 32.092 32.600 -0.511 0.000 1.429 671 M HN 0.373 nan 8.290 nan 0.000 0.497 672 G N 1.992 110.826 108.800 0.057 0.000 2.601 672 G HA2 -0.228 3.735 3.960 0.004 0.000 0.261 672 G HA3 -0.228 3.735 3.960 0.004 0.000 0.261 672 G C -0.626 174.425 174.900 0.251 0.000 1.289 672 G CA -0.729 44.447 45.100 0.127 0.000 0.920 672 G HN 0.244 nan 8.290 nan 0.000 0.571 673 L N 2.446 123.787 121.223 0.197 0.000 2.357 673 L HA 0.500 4.843 4.340 0.004 0.000 0.273 673 L C -1.314 175.590 176.870 0.057 0.000 1.080 673 L CA -2.039 52.878 54.840 0.129 0.000 0.803 673 L CB 1.056 43.148 42.059 0.055 0.000 1.174 673 L HN 0.430 nan 8.230 nan 0.000 0.443 674 P HA 0.095 nan 4.420 nan 0.000 0.225 674 P C -0.617 176.554 177.300 -0.215 0.000 1.768 674 P CA -0.115 62.599 63.100 -0.643 0.000 0.943 674 P CB -0.476 30.567 31.700 -1.095 0.000 1.936 675 T N -3.132 111.384 114.554 -0.063 0.000 2.907 675 T HA 0.479 4.831 4.350 0.004 0.000 0.292 675 T C -2.303 172.407 174.700 0.017 0.000 1.043 675 T CA -2.512 59.575 62.100 -0.022 0.000 1.003 675 T CB 1.913 70.776 68.868 -0.008 0.000 1.084 675 T HN -0.303 nan 8.240 nan 0.000 0.483 676 P HA -0.142 nan 4.420 nan 0.000 0.217 676 P C 1.367 178.687 177.300 0.034 0.000 1.148 676 P CA 1.051 64.168 63.100 0.029 0.000 0.828 676 P CB 0.073 31.785 31.700 0.020 0.000 0.783 677 E N -1.562 118.654 120.200 0.026 0.000 2.511 677 E HA -0.073 4.279 4.350 0.004 0.000 0.196 677 E C 0.803 177.425 176.600 0.036 0.000 1.066 677 E CA 0.726 57.142 56.400 0.026 0.000 0.871 677 E CB -0.237 29.473 29.700 0.017 0.000 0.863 677 E HN 0.265 nan 8.360 nan 0.000 0.520 678 D N 0.712 121.143 120.400 0.052 0.000 3.112 678 D HA 0.050 4.692 4.640 0.004 0.000 0.212 678 D C 0.596 176.959 176.300 0.106 0.000 1.376 678 D CA -0.097 53.946 54.000 0.072 0.000 1.411 678 D CB 0.053 40.901 40.800 0.080 0.000 0.965 678 D HN 0.009 nan 8.370 nan 0.000 0.192 679 N N -0.225 118.577 118.700 0.169 0.000 2.143 679 N HA 0.077 4.819 4.740 0.004 0.000 0.222 679 N C 1.395 177.116 175.510 0.352 0.000 1.264 679 N CA -0.090 53.108 53.050 0.246 0.000 0.897 679 N CB 0.379 39.036 38.487 0.284 0.000 1.092 679 N HN 0.104 nan 8.380 nan 0.000 0.516 680 L N 1.098 122.465 121.223 0.240 0.000 2.085 680 L HA -0.257 4.086 4.340 0.004 0.000 0.218 680 L C 1.294 178.294 176.870 0.217 0.000 1.080 680 L CA 1.984 56.935 54.840 0.186 0.000 0.776 680 L CB -0.458 41.633 42.059 0.052 0.000 0.891 680 L HN 0.102 nan 8.230 nan 0.000 0.437 681 D N -1.522 118.980 120.400 0.170 0.000 2.126 681 D HA -0.280 4.363 4.640 0.004 0.000 0.190 681 D C 2.104 178.502 176.300 0.164 0.000 1.001 681 D CA 1.937 56.021 54.000 0.140 0.000 0.841 681 D CB -0.192 40.678 40.800 0.116 0.000 0.949 681 D HN 0.650 nan 8.370 nan 0.000 0.446 682 H N -1.184 117.952 119.070 0.111 0.000 2.395 682 H HA -0.052 4.506 4.556 0.004 0.000 0.299 682 H C 1.796 177.182 175.328 0.097 0.000 1.070 682 H CA 1.262 57.349 56.048 0.064 0.000 1.356 682 H CB -0.292 29.468 29.762 -0.003 0.000 1.401 682 H HN 0.171 nan 8.280 nan 0.000 0.524 683 Y N 0.489 120.815 120.300 0.045 0.000 2.114 683 Y HA -0.255 4.297 4.550 0.003 0.000 0.282 683 Y C 2.589 178.465 175.900 -0.039 0.000 1.165 683 Y CA 1.634 59.754 58.100 0.033 0.000 1.148 683 Y CB -0.052 38.454 38.460 0.076 0.000 0.972 683 Y HN 0.126 nan 8.280 nan 0.000 0.504 684 R N 0.012 120.602 120.500 0.149 0.000 2.127 684 R HA -0.171 4.171 4.340 0.004 0.000 0.238 684 R C 1.561 177.857 176.300 -0.006 0.000 1.134 684 R CA 1.195 57.328 56.100 0.055 0.000 0.975 684 R CB -0.973 29.359 30.300 0.053 0.000 0.865 684 R HN 0.508 nan 8.270 nan 0.000 0.447 685 N N 0.471 119.137 118.700 -0.057 0.000 2.412 685 N HA -0.042 4.700 4.740 0.004 0.000 0.184 685 N C 0.012 175.432 175.510 -0.149 0.000 1.101 685 N CA 0.430 53.426 53.050 -0.091 0.000 0.881 685 N CB 0.382 38.834 38.487 -0.058 0.000 0.969 685 N HN 0.126 nan 8.380 nan 0.000 0.459 686 S N -0.526 115.059 115.700 -0.191 0.000 2.651 686 S HA 0.063 4.536 4.470 0.004 0.000 0.246 686 S C 0.359 174.998 174.600 0.065 0.000 1.039 686 S CA -0.778 57.363 58.200 -0.099 0.000 1.013 686 S CB 0.062 63.120 63.200 -0.236 0.000 0.861 686 S HN 0.138 nan 8.310 nan 0.000 0.485 687 T N -1.223 113.326 114.554 -0.007 0.000 2.909 687 T HA 0.467 4.820 4.350 0.004 0.000 0.286 687 T C 1.272 175.969 174.700 -0.005 0.000 1.002 687 T CA -0.150 61.930 62.100 -0.032 0.000 1.074 687 T CB 1.535 70.351 68.868 -0.087 0.000 0.984 687 T HN 0.347 nan 8.240 nan 0.000 0.495 688 V N 3.361 123.273 119.914 -0.004 0.000 2.515 688 V HA -0.093 4.029 4.120 0.004 0.000 0.250 688 V C 2.130 178.192 176.094 -0.053 0.000 1.058 688 V CA 1.706 63.995 62.300 -0.019 0.000 1.064 688 V CB -1.080 30.729 31.823 -0.024 0.000 0.675 688 V HN 0.899 nan 8.190 nan 0.000 0.461 689 M N 2.140 121.690 119.600 -0.083 0.000 2.082 689 M HA -0.175 4.308 4.480 0.004 0.000 0.258 689 M C 2.532 178.802 176.300 -0.050 0.000 1.071 689 M CA 2.693 57.938 55.300 -0.090 0.000 1.103 689 M CB -1.369 31.189 32.600 -0.071 0.000 1.307 689 M HN 0.712 nan 8.290 nan 0.000 0.409 690 S N -0.108 115.575 115.700 -0.029 0.000 2.462 690 S HA -0.148 4.324 4.470 0.004 0.000 0.243 690 S C 1.764 176.371 174.600 0.012 0.000 1.003 690 S CA 1.006 59.200 58.200 -0.010 0.000 0.970 690 S CB -0.597 62.596 63.200 -0.011 0.000 0.762 690 S HN 0.554 nan 8.310 nan 0.000 0.510 691 R N 0.366 120.888 120.500 0.038 0.000 2.362 691 R HA 0.421 4.763 4.340 0.004 0.000 0.227 691 R C 2.305 178.724 176.300 0.199 0.000 0.905 691 R CA 0.469 56.621 56.100 0.087 0.000 1.067 691 R CB -0.318 30.029 30.300 0.079 0.000 1.078 691 R HN 0.499 nan 8.270 nan 0.000 0.516 692 A N 1.802 124.687 122.820 0.109 0.000 1.927 692 A HA -0.298 4.024 4.320 0.004 0.000 0.220 692 A C 2.062 179.742 177.584 0.160 0.000 1.185 692 A CA 1.996 54.071 52.037 0.063 0.000 0.639 692 A CB -0.288 18.664 19.000 -0.079 0.000 0.820 692 A HN 0.225 nan 8.150 nan 0.000 0.451 693 E N 0.674 120.934 120.200 0.100 0.000 2.118 693 E HA -0.170 4.183 4.350 0.004 0.000 0.195 693 E C 1.547 178.204 176.600 0.094 0.000 0.992 693 E CA 1.645 58.094 56.400 0.082 0.000 0.804 693 E CB -0.323 29.406 29.700 0.048 0.000 0.741 693 E HN 0.608 nan 8.360 nan 0.000 0.458 694 N N -0.425 118.324 118.700 0.081 0.000 2.520 694 N HA -0.093 4.650 4.740 0.004 0.000 0.185 694 N C 1.029 176.511 175.510 -0.047 0.000 1.068 694 N CA 0.449 53.498 53.050 -0.002 0.000 0.911 694 N CB -0.300 38.138 38.487 -0.081 0.000 0.961 694 N HN 0.213 nan 8.380 nan 0.000 0.446 695 F N 1.568 121.476 119.950 -0.069 0.000 2.333 695 F HA -0.009 4.520 4.527 0.003 0.000 0.300 695 F C 1.934 177.738 175.800 0.006 0.000 1.083 695 F CA 0.758 58.711 58.000 -0.078 0.000 1.395 695 F CB -0.081 38.825 39.000 -0.157 0.000 1.056 695 F HN -0.039 nan 8.300 nan 0.000 0.529 696 K N -0.010 120.491 120.400 0.168 0.000 2.362 696 K HA -0.226 4.096 4.320 0.004 0.000 0.202 696 K C 1.525 178.180 176.600 0.092 0.000 1.045 696 K CA 1.136 57.499 56.287 0.126 0.000 0.936 696 K CB -0.267 32.288 32.500 0.091 0.000 0.747 696 K HN 0.472 nan 8.250 nan 0.000 0.467 697 Q N 0.169 120.001 119.800 0.054 0.000 2.319 697 Q HA 0.031 4.373 4.340 0.004 0.000 0.202 697 Q C 0.275 176.307 176.000 0.053 0.000 0.896 697 Q CA 0.042 55.866 55.803 0.036 0.000 0.942 697 Q CB 0.816 29.554 28.738 0.001 0.000 1.083 697 Q HN 0.132 nan 8.270 nan 0.000 0.510 698 V N -3.135 116.827 119.914 0.079 0.000 3.181 698 V HA 0.528 4.651 4.120 0.004 0.000 0.308 698 V C -1.506 174.722 176.094 0.224 0.000 1.214 698 V CA -1.296 61.078 62.300 0.124 0.000 1.053 698 V CB 2.366 34.230 31.823 0.068 0.000 1.069 698 V HN -0.139 nan 8.190 nan 0.000 0.441 699 E N 1.505 121.871 120.200 0.277 0.000 2.081 699 E HA 0.529 4.881 4.350 0.004 0.000 0.276 699 E C -1.614 175.352 176.600 0.611 0.000 0.950 699 E CA -0.206 56.425 56.400 0.385 0.000 0.776 699 E CB 1.366 31.214 29.700 0.247 0.000 1.094 699 E HN 0.657 nan 8.360 nan 0.000 0.402 700 Y N 3.189 123.747 120.300 0.430 0.000 2.387 700 Y HA 0.562 5.113 4.550 0.002 0.000 0.336 700 Y C -1.421 174.557 175.900 0.129 0.000 1.067 700 Y CA -1.700 56.600 58.100 0.333 0.000 1.114 700 Y CB 0.988 39.664 38.460 0.361 0.000 1.208 700 Y HN 0.433 nan 8.280 nan 0.000 0.458 701 L N 7.564 128.498 121.223 -0.482 0.000 2.372 701 L HA 0.542 4.884 4.340 0.004 0.000 0.273 701 L C -2.214 174.203 176.870 -0.755 0.000 0.989 701 L CA -0.735 53.648 54.840 -0.760 0.000 0.841 701 L CB 1.256 42.458 42.059 -1.427 0.000 1.225 701 L HN 0.601 nan 8.230 nan 0.000 0.414 702 L N 6.706 127.585 121.223 -0.573 0.000 2.298 702 L HA 0.681 5.023 4.340 0.004 0.000 0.284 702 L C -1.128 175.625 176.870 -0.195 0.000 1.013 702 L CA 0.006 54.562 54.840 -0.473 0.000 0.824 702 L CB 1.055 42.849 42.059 -0.443 0.000 1.221 702 L HN 0.575 nan 8.230 nan 0.000 0.418 703 I N 4.673 125.136 120.570 -0.178 0.000 2.545 703 I HA 0.464 4.637 4.170 0.004 0.000 0.292 703 I C -1.029 175.079 176.117 -0.014 0.000 1.040 703 I CA -0.649 60.611 61.300 -0.067 0.000 1.068 703 I CB 1.925 39.858 38.000 -0.111 0.000 1.251 703 I HN 0.667 nan 8.210 nan 0.000 0.424 704 H N 2.457 121.585 119.070 0.097 0.000 3.038 704 H HA 0.522 5.080 4.556 0.004 0.000 0.362 704 H C -0.363 175.188 175.328 0.371 0.000 1.167 704 H CA -0.663 55.488 56.048 0.173 0.000 1.197 704 H CB 2.038 31.878 29.762 0.130 0.000 1.840 704 H HN 0.739 nan 8.280 nan 0.000 0.540 705 G N 0.771 109.933 108.800 0.604 0.000 2.390 705 G HA2 0.212 4.174 3.960 0.004 0.000 0.270 705 G HA3 0.212 4.174 3.960 0.004 0.000 0.270 705 G C 1.111 176.266 174.900 0.424 0.000 1.211 705 G CA 0.124 45.516 45.100 0.486 0.000 0.842 705 G HN 0.741 nan 8.290 nan 0.000 0.519 706 T N -0.893 113.775 114.554 0.191 0.000 3.055 706 T HA 0.158 4.510 4.350 0.004 0.000 0.265 706 T C 1.562 176.232 174.700 -0.049 0.000 1.111 706 T CA 1.225 63.260 62.100 -0.107 0.000 1.118 706 T CB 0.200 68.970 68.868 -0.165 0.000 0.909 706 T HN 0.715 nan 8.240 nan 0.000 0.501 707 A N 1.133 124.001 122.820 0.081 0.000 2.713 707 A HA 0.347 4.669 4.320 0.004 0.000 0.296 707 A C 0.284 177.856 177.584 -0.021 0.000 1.255 707 A CA -0.505 51.567 52.037 0.059 0.000 0.955 707 A CB -0.215 19.072 19.000 0.477 0.000 1.149 707 A HN 0.396 nan 8.150 nan 0.000 0.538 708 D N 1.469 121.857 120.400 -0.020 0.000 2.344 708 D HA -0.002 4.641 4.640 0.004 0.000 0.253 708 D C 0.554 176.832 176.300 -0.036 0.000 1.255 708 D CA 0.031 54.125 54.000 0.157 0.000 0.894 708 D CB 0.683 41.733 40.800 0.416 0.000 1.067 708 D HN 0.544 nan 8.370 nan 0.000 0.492 709 D N 2.588 123.008 120.400 0.034 0.000 2.269 709 D HA -0.158 4.484 4.640 0.004 0.000 0.208 709 D C 1.053 177.300 176.300 -0.088 0.000 0.963 709 D CA 0.439 54.387 54.000 -0.086 0.000 0.864 709 D CB 0.151 40.809 40.800 -0.237 0.000 0.936 709 D HN 0.469 nan 8.370 nan 0.000 0.505 710 N N 0.056 118.807 118.700 0.085 0.000 2.220 710 N HA -0.044 4.698 4.740 0.004 0.000 0.193 710 N C -0.140 175.301 175.510 -0.115 0.000 1.052 710 N CA 0.325 53.445 53.050 0.118 0.000 0.898 710 N CB 0.530 39.127 38.487 0.183 0.000 1.080 710 N HN -0.157 nan 8.380 nan 0.000 0.467 711 V N 2.137 122.043 119.914 -0.013 0.000 2.353 711 V HA 0.144 4.266 4.120 0.004 0.000 0.264 711 V C -0.824 175.349 176.094 0.132 0.000 1.049 711 V CA -0.144 62.184 62.300 0.047 0.000 0.896 711 V CB 0.001 31.879 31.823 0.091 0.000 1.025 711 V HN 0.344 nan 8.190 nan 0.000 0.475 712 H N 3.831 122.913 119.070 0.020 0.000 2.764 712 H HA 0.067 4.625 4.556 0.003 0.000 0.341 712 H C 0.761 175.956 175.328 -0.222 0.000 1.072 712 H CA -0.341 55.622 56.048 -0.142 0.000 1.444 712 H CB 0.704 30.285 29.762 -0.301 0.000 1.458 712 H HN 0.640 nan 8.280 nan 0.000 0.572 713 F N 2.355 122.061 119.950 -0.406 0.000 2.167 713 F HA -0.379 4.150 4.527 0.002 0.000 0.301 713 F C 2.529 178.050 175.800 -0.464 0.000 1.066 713 F CA 1.996 59.524 58.000 -0.787 0.000 1.285 713 F CB -0.186 38.563 39.000 -0.419 0.000 1.032 713 F HN 0.679 nan 8.300 nan 0.000 0.495 714 Q N 0.002 119.666 119.800 -0.226 0.000 2.156 714 Q HA -0.322 4.020 4.340 0.004 0.000 0.211 714 Q C 2.158 177.950 176.000 -0.347 0.000 0.995 714 Q CA 2.374 58.000 55.803 -0.294 0.000 0.877 714 Q CB -0.271 28.262 28.738 -0.342 0.000 0.920 714 Q HN 0.623 nan 8.270 nan 0.000 0.416 715 Q N -0.424 119.230 119.800 -0.244 0.000 2.020 715 Q HA -0.124 4.218 4.340 0.004 0.000 0.202 715 Q C 2.259 178.183 176.000 -0.127 0.000 0.982 715 Q CA 1.792 57.574 55.803 -0.034 0.000 0.838 715 Q CB -0.162 28.626 28.738 0.083 0.000 0.899 715 Q HN 0.336 nan 8.270 nan 0.000 0.423 716 S N 1.044 116.576 115.700 -0.280 0.000 2.423 716 S HA -0.044 4.428 4.470 0.004 0.000 0.231 716 S C 2.065 176.392 174.600 -0.455 0.000 1.014 716 S CA 0.771 58.781 58.200 -0.317 0.000 0.965 716 S CB -0.155 62.877 63.200 -0.280 0.000 0.785 716 S HN 0.458 nan 8.310 nan 0.000 0.495 717 A N 1.544 123.971 122.820 -0.656 0.000 1.933 717 A HA -0.133 4.189 4.320 0.004 0.000 0.218 717 A C 2.178 179.643 177.584 -0.198 0.000 1.175 717 A CA 1.111 52.888 52.037 -0.433 0.000 0.628 717 A CB -0.385 18.415 19.000 -0.333 0.000 0.814 717 A HN 0.371 nan 8.150 nan 0.000 0.444 718 Q N -0.456 119.254 119.800 -0.151 0.000 2.137 718 Q HA 0.012 4.354 4.340 0.004 0.000 0.198 718 Q C 2.136 178.081 176.000 -0.092 0.000 0.960 718 Q CA 0.965 56.735 55.803 -0.054 0.000 0.847 718 Q CB -0.317 28.475 28.738 0.090 0.000 0.915 718 Q HN 0.779 nan 8.270 nan 0.000 0.448 719 I N 1.315 121.802 120.570 -0.137 0.000 2.208 719 I HA -0.294 3.878 4.170 0.004 0.000 0.245 719 I C 2.585 178.525 176.117 -0.295 0.000 1.097 719 I CA 1.552 62.720 61.300 -0.220 0.000 1.363 719 I CB -0.457 37.414 38.000 -0.215 0.000 1.051 719 I HN 0.190 nan 8.210 nan 0.000 0.413 720 S N 0.829 116.390 115.700 -0.230 0.000 2.357 720 S HA -0.231 4.242 4.470 0.004 0.000 0.221 720 S C 2.058 176.626 174.600 -0.053 0.000 1.031 720 S CA 1.063 59.158 58.200 -0.174 0.000 0.982 720 S CB -0.432 62.814 63.200 0.076 0.000 0.853 720 S HN 0.333 nan 8.310 nan 0.000 0.458 721 K N 1.644 122.022 120.400 -0.037 0.000 2.113 721 K HA -0.062 4.260 4.320 0.004 0.000 0.208 721 K C 2.263 178.842 176.600 -0.035 0.000 1.047 721 K CA 1.239 57.520 56.287 -0.010 0.000 0.928 721 K CB -0.671 31.821 32.500 -0.014 0.000 0.716 721 K HN 0.488 nan 8.250 nan 0.000 0.446 722 A N 0.953 123.720 122.820 -0.090 0.000 1.877 722 A HA -0.132 4.190 4.320 0.004 0.000 0.216 722 A C 2.068 179.580 177.584 -0.120 0.000 1.186 722 A CA 1.386 53.359 52.037 -0.107 0.000 0.620 722 A CB -0.601 18.308 19.000 -0.151 0.000 0.822 722 A HN 0.311 nan 8.150 nan 0.000 0.443 723 L N -0.434 120.665 121.223 -0.207 0.000 2.141 723 L HA -0.120 4.222 4.340 0.004 0.000 0.209 723 L C 2.462 179.361 176.870 0.049 0.000 1.094 723 L CA 0.694 55.426 54.840 -0.180 0.000 0.763 723 L CB -0.521 41.241 42.059 -0.495 0.000 0.908 723 L HN 0.246 nan 8.230 nan 0.000 0.437 724 V N -0.363 119.612 119.914 0.102 0.000 2.270 724 V HA -0.271 3.851 4.120 0.004 0.000 0.245 724 V C 1.990 178.127 176.094 0.072 0.000 1.043 724 V CA 1.837 64.219 62.300 0.136 0.000 1.014 724 V CB -0.534 31.368 31.823 0.130 0.000 0.645 724 V HN 0.407 nan 8.190 nan 0.000 0.447 725 D N 0.532 120.955 120.400 0.037 0.000 2.315 725 D HA -0.116 4.526 4.640 0.004 0.000 0.211 725 D C 1.603 177.920 176.300 0.028 0.000 0.977 725 D CA 1.711 55.726 54.000 0.025 0.000 0.894 725 D CB -0.086 40.720 40.800 0.010 0.000 0.910 725 D HN 0.583 nan 8.370 nan 0.000 0.490 726 V N -4.152 115.782 119.914 0.033 0.000 3.319 726 V HA 0.511 4.633 4.120 0.004 0.000 0.317 726 V C 1.156 177.285 176.094 0.058 0.000 1.411 726 V CA 0.069 62.393 62.300 0.039 0.000 1.112 726 V CB 0.021 31.864 31.823 0.033 0.000 1.031 726 V HN 0.087 nan 8.190 nan 0.000 0.448 727 G N 0.911 109.753 108.800 0.070 0.000 2.338 727 G HA2 -0.189 3.773 3.960 0.004 0.000 0.296 727 G HA3 -0.189 3.773 3.960 0.004 0.000 0.296 727 G C -0.067 174.899 174.900 0.110 0.000 1.040 727 G CA 0.400 45.549 45.100 0.082 0.000 1.004 727 G HN 0.865 nan 8.290 nan 0.000 0.509 728 V N 0.460 120.464 119.914 0.151 0.000 2.383 728 V HA 0.402 4.524 4.120 0.004 0.000 0.275 728 V C 0.415 176.698 176.094 0.315 0.000 1.036 728 V CA -0.462 61.963 62.300 0.209 0.000 0.889 728 V CB 1.677 33.621 31.823 0.200 0.000 0.985 728 V HN 0.487 nan 8.190 nan 0.000 0.459 729 D N 4.456 125.002 120.400 0.244 0.000 2.256 729 D HA 0.588 5.231 4.640 0.004 0.000 0.250 729 D C -0.515 175.973 176.300 0.313 0.000 1.093 729 D CA 0.014 54.124 54.000 0.184 0.000 0.882 729 D CB 0.707 41.558 40.800 0.085 0.000 1.185 729 D HN 0.373 nan 8.370 nan 0.000 0.437 730 F N 0.162 120.189 119.950 0.128 0.000 2.789 730 F HA 0.523 5.053 4.527 0.005 0.000 0.319 730 F C -1.353 174.507 175.800 0.100 0.000 1.168 730 F CA -1.172 56.930 58.000 0.170 0.000 0.934 730 F CB 0.866 40.005 39.000 0.231 0.000 1.375 730 F HN 0.042 nan 8.300 nan 0.000 0.480 731 Q N 1.415 121.319 119.800 0.174 0.000 2.245 731 Q HA 0.778 5.121 4.340 0.004 0.000 0.256 731 Q C -0.715 175.318 176.000 0.055 0.000 0.942 731 Q CA -0.707 55.096 55.803 -0.001 0.000 0.896 731 Q CB 1.937 30.673 28.738 -0.005 0.000 1.272 731 Q HN 1.003 nan 8.270 nan 0.000 0.442 732 A N 1.962 124.766 122.820 -0.026 0.000 2.485 732 A HA 0.899 5.221 4.320 0.004 0.000 0.292 732 A C -1.144 176.392 177.584 -0.079 0.000 1.147 732 A CA -0.614 51.446 52.037 0.037 0.000 0.750 732 A CB 1.870 20.968 19.000 0.164 0.000 1.331 732 A HN 0.616 nan 8.150 nan 0.000 0.419 733 M N 0.972 120.516 119.600 -0.094 0.000 2.355 733 M HA 0.461 4.943 4.480 0.004 0.000 0.232 733 M C -1.826 174.374 176.300 -0.166 0.000 0.988 733 M CA -0.632 54.471 55.300 -0.329 0.000 0.931 733 M CB 0.750 33.092 32.600 -0.430 0.000 2.294 733 M HN 0.936 nan 8.290 nan 0.000 0.459 734 W N 4.236 125.418 121.300 -0.197 0.000 2.253 734 W HA 0.767 5.428 4.660 0.001 0.000 0.348 734 W C -1.779 174.507 176.519 -0.389 0.000 1.229 734 W CA -0.575 56.715 57.345 -0.092 0.000 1.335 734 W CB 0.288 29.719 29.460 -0.048 0.000 1.165 734 W HN 0.621 nan 8.180 nan 0.000 0.631 735 Y N 1.705 122.175 120.300 0.283 0.000 2.426 735 Y HA 0.273 4.826 4.550 0.005 0.000 0.325 735 Y C 0.256 176.286 175.900 0.216 0.000 0.989 735 Y CA -1.241 56.946 58.100 0.144 0.000 1.284 735 Y CB 1.377 39.884 38.460 0.078 0.000 1.104 735 Y HN 0.412 nan 8.280 nan 0.000 0.481 736 T N 4.662 119.412 114.554 0.326 0.000 2.792 736 T HA 0.002 4.354 4.350 0.004 0.000 0.286 736 T C 0.066 174.842 174.700 0.126 0.000 0.970 736 T CA 0.620 62.831 62.100 0.185 0.000 1.187 736 T CB -0.214 68.704 68.868 0.082 0.000 0.915 736 T HN 0.690 nan 8.240 nan 0.000 0.529 737 D N 0.881 121.338 120.400 0.096 0.000 3.079 737 D HA -0.124 4.518 4.640 0.004 0.000 0.214 737 D C 0.317 176.745 176.300 0.213 0.000 1.145 737 D CA 1.080 55.098 54.000 0.030 0.000 0.958 737 D CB -0.484 40.124 40.800 -0.321 0.000 1.117 737 D HN 0.540 nan 8.370 nan 0.000 0.416 738 E N 0.933 121.277 120.200 0.241 0.000 2.349 738 E HA 0.326 4.678 4.350 0.004 0.000 0.265 738 E C 0.880 177.655 176.600 0.292 0.000 1.064 738 E CA -0.158 56.397 56.400 0.258 0.000 0.886 738 E CB 1.006 30.851 29.700 0.241 0.000 1.036 738 E HN 0.370 nan 8.360 nan 0.000 0.413 739 D N -0.481 120.100 120.400 0.302 0.000 2.570 739 D HA 0.016 4.658 4.640 0.004 0.000 0.266 739 D C 1.069 177.585 176.300 0.360 0.000 1.182 739 D CA -0.269 53.934 54.000 0.338 0.000 1.088 739 D CB -0.294 40.736 40.800 0.382 0.000 1.186 739 D HN 0.430 nan 8.370 nan 0.000 0.618 740 H N -1.207 118.042 119.070 0.299 0.000 2.456 740 H HA 0.073 4.631 4.556 0.004 0.000 0.296 740 H C 1.954 177.532 175.328 0.416 0.000 1.079 740 H CA 2.279 58.524 56.048 0.329 0.000 1.322 740 H CB -0.491 29.455 29.762 0.308 0.000 1.388 740 H HN 0.479 nan 8.280 nan 0.000 0.538 741 G N 0.514 109.478 108.800 0.274 0.000 2.404 741 G HA2 -0.140 3.822 3.960 0.004 0.000 0.215 741 G HA3 -0.140 3.822 3.960 0.004 0.000 0.215 741 G C 0.673 175.724 174.900 0.251 0.000 1.174 741 G CA 0.705 45.894 45.100 0.148 0.000 0.780 741 G HN 0.562 nan 8.290 nan 0.000 0.537 742 I N -0.033 120.694 120.570 0.261 0.000 6.833 742 I HA -0.280 3.893 4.170 0.004 0.000 0.126 742 I C 1.380 177.591 176.117 0.157 0.000 1.810 742 I CA 0.054 61.469 61.300 0.191 0.000 2.119 742 I CB -1.350 36.755 38.000 0.174 0.000 3.512 742 I HN 0.273 nan 8.210 nan 0.000 0.194 743 A N 0.446 123.338 122.820 0.119 0.000 2.303 743 A HA 0.295 4.618 4.320 0.004 0.000 0.217 743 A C 1.115 178.734 177.584 0.059 0.000 1.205 743 A CA 0.248 52.319 52.037 0.057 0.000 0.875 743 A CB 0.250 19.272 19.000 0.037 0.000 0.910 743 A HN 0.431 nan 8.150 nan 0.000 0.501 744 S N 0.871 116.626 115.700 0.092 0.000 2.544 744 S HA 0.079 4.552 4.470 0.004 0.000 0.290 744 S C 1.470 176.127 174.600 0.095 0.000 1.276 744 S CA 0.490 58.743 58.200 0.088 0.000 1.075 744 S CB 1.035 64.293 63.200 0.097 0.000 0.849 744 S HN 0.573 nan 8.310 nan 0.000 0.494 745 S N 3.471 119.214 115.700 0.072 0.000 2.426 745 S HA -0.290 4.182 4.470 0.004 0.000 0.253 745 S C 2.256 176.921 174.600 0.108 0.000 1.104 745 S CA 2.550 60.799 58.200 0.081 0.000 1.158 745 S CB -0.819 62.410 63.200 0.048 0.000 1.043 745 S HN 0.987 nan 8.310 nan 0.000 0.443 746 T N -0.964 113.642 114.554 0.087 0.000 2.942 746 T HA 0.340 4.692 4.350 0.004 0.000 0.265 746 T C 1.914 176.680 174.700 0.110 0.000 1.062 746 T CA 1.163 63.316 62.100 0.088 0.000 1.139 746 T CB -0.675 68.236 68.868 0.071 0.000 0.883 746 T HN 0.484 nan 8.240 nan 0.000 0.468 747 A N 1.661 124.534 122.820 0.088 0.000 1.898 747 A HA -0.078 4.244 4.320 0.004 0.000 0.216 747 A C 2.203 179.758 177.584 -0.048 0.000 1.181 747 A CA 1.984 54.021 52.037 -0.000 0.000 0.620 747 A CB -1.259 17.717 19.000 -0.041 0.000 0.819 747 A HN 0.744 nan 8.150 nan 0.000 0.442 748 H N -0.257 118.799 119.070 -0.023 0.000 2.290 748 H HA -0.134 4.424 4.556 0.004 0.000 0.298 748 H C 2.102 177.494 175.328 0.106 0.000 1.087 748 H CA 2.332 58.418 56.048 0.063 0.000 1.291 748 H CB -0.308 29.489 29.762 0.057 0.000 1.369 748 H HN 0.538 nan 8.280 nan 0.000 0.492 749 Q N -0.880 118.876 119.800 -0.073 0.000 2.096 749 Q HA -0.215 4.127 4.340 0.004 0.000 0.204 749 Q C 2.263 178.248 176.000 -0.026 0.000 0.982 749 Q CA 1.495 57.227 55.803 -0.119 0.000 0.850 749 Q CB -0.255 28.471 28.738 -0.021 0.000 0.901 749 Q HN 0.682 nan 8.270 nan 0.000 0.422 750 H N 0.415 119.473 119.070 -0.020 0.000 2.357 750 H HA -0.083 4.475 4.556 0.003 0.000 0.301 750 H C 2.092 177.460 175.328 0.066 0.000 1.082 750 H CA 1.321 57.405 56.048 0.059 0.000 1.342 750 H CB 0.020 29.882 29.762 0.168 0.000 1.389 750 H HN 0.272 nan 8.280 nan 0.000 0.511 751 I N 0.026 120.586 120.570 -0.017 0.000 2.163 751 I HA -0.315 3.857 4.170 0.004 0.000 0.240 751 I C 1.851 177.796 176.117 -0.286 0.000 1.081 751 I CA 1.233 62.449 61.300 -0.141 0.000 1.353 751 I CB -0.309 37.433 38.000 -0.431 0.000 1.054 751 I HN 0.152 nan 8.210 nan 0.000 0.407 752 Y N 0.950 121.064 120.300 -0.311 0.000 2.333 752 Y HA -0.236 4.316 4.550 0.004 0.000 0.290 752 Y C 2.655 178.391 175.900 -0.272 0.000 1.144 752 Y CA 1.944 59.758 58.100 -0.477 0.000 1.228 752 Y CB -0.555 37.630 38.460 -0.458 0.000 0.985 752 Y HN 0.210 nan 8.280 nan 0.000 0.542 753 T N -1.919 112.599 114.554 -0.060 0.000 2.812 753 T HA -0.211 4.141 4.350 0.004 0.000 0.264 753 T C 1.488 176.177 174.700 -0.018 0.000 1.042 753 T CA 1.702 63.757 62.100 -0.075 0.000 1.140 753 T CB -0.457 68.359 68.868 -0.087 0.000 0.870 753 T HN 0.399 nan 8.240 nan 0.000 0.445 754 H N 1.044 120.042 119.070 -0.119 0.000 2.353 754 H HA 0.085 4.643 4.556 0.003 0.000 0.300 754 H C 2.196 177.535 175.328 0.019 0.000 1.090 754 H CA 1.566 57.593 56.048 -0.035 0.000 1.327 754 H CB -0.277 29.426 29.762 -0.098 0.000 1.383 754 H HN 0.230 nan 8.280 nan 0.000 0.508 755 M N -0.814 118.751 119.600 -0.059 0.000 2.117 755 M HA -0.179 4.303 4.480 0.004 0.000 0.262 755 M C 2.414 178.841 176.300 0.211 0.000 1.065 755 M CA 1.612 56.863 55.300 -0.083 0.000 1.114 755 M CB -0.090 32.177 32.600 -0.556 0.000 1.361 755 M HN 0.219 nan 8.290 nan 0.000 0.408 756 S N -0.653 115.208 115.700 0.267 0.000 2.368 756 S HA -0.179 4.293 4.470 0.004 0.000 0.225 756 S C 1.581 176.274 174.600 0.155 0.000 1.030 756 S CA 1.349 59.775 58.200 0.377 0.000 0.999 756 S CB -0.599 62.818 63.200 0.361 0.000 0.844 756 S HN 0.548 nan 8.310 nan 0.000 0.459 757 H N -0.569 118.564 119.070 0.105 0.000 2.353 757 H HA -0.035 4.524 4.556 0.005 0.000 0.300 757 H C 1.913 177.246 175.328 0.009 0.000 1.090 757 H CA 1.698 57.760 56.048 0.023 0.000 1.327 757 H CB -0.200 29.524 29.762 -0.063 0.000 1.383 757 H HN 0.381 nan 8.280 nan 0.000 0.508 758 F N 0.896 120.829 119.950 -0.028 0.000 2.102 758 F HA -0.226 4.302 4.527 0.002 0.000 0.298 758 F C 2.034 177.794 175.800 -0.067 0.000 1.105 758 F CA 1.046 59.000 58.000 -0.076 0.000 1.239 758 F CB -0.240 38.691 39.000 -0.115 0.000 0.991 758 F HN 0.055 nan 8.300 nan 0.000 0.474 759 I N 0.773 121.366 120.570 0.038 0.000 2.113 759 I HA -0.304 3.869 4.170 0.004 0.000 0.238 759 I C 2.318 178.284 176.117 -0.252 0.000 1.070 759 I CA 1.613 62.796 61.300 -0.196 0.000 1.332 759 I CB -1.340 36.654 38.000 -0.011 0.000 1.044 759 I HN 0.177 nan 8.210 nan 0.000 0.402 760 K N 0.159 120.541 120.400 -0.029 0.000 2.089 760 K HA -0.286 4.036 4.320 0.004 0.000 0.210 760 K C 2.132 178.727 176.600 -0.009 0.000 1.048 760 K CA 1.902 58.213 56.287 0.040 0.000 0.926 760 K CB -0.256 32.302 32.500 0.097 0.000 0.714 760 K HN 0.355 nan 8.250 nan 0.000 0.448 761 Q N 0.048 119.797 119.800 -0.085 0.000 2.123 761 Q HA -0.155 4.187 4.340 0.004 0.000 0.199 761 Q C 2.262 178.145 176.000 -0.195 0.000 0.966 761 Q CA 1.293 57.026 55.803 -0.116 0.000 0.845 761 Q CB -0.075 28.590 28.738 -0.122 0.000 0.907 761 Q HN 0.468 nan 8.270 nan 0.000 0.439 762 c N -0.173 118.182 118.600 -0.408 0.000 2.422 762 c HA -0.087 4.485 4.570 0.004 0.000 0.279 762 c C 1.644 175.679 174.090 -0.092 0.000 1.305 762 c CA 0.460 56.544 56.329 -0.408 0.000 1.757 762 c CB -0.969 41.114 42.510 -0.711 0.000 1.962 762 c HN 0.534 nan 8.230 nan 0.000 0.499 763 F N 1.513 121.419 119.950 -0.074 0.000 2.660 763 F HA 0.275 4.805 4.527 0.004 0.000 0.302 763 F C 1.553 177.339 175.800 -0.023 0.000 1.103 763 F CA 0.170 58.152 58.000 -0.030 0.000 1.340 763 F CB -1.176 37.816 39.000 -0.013 0.000 1.048 763 F HN 0.158 nan 8.300 nan 0.000 0.551 764 S N 1.020 116.800 115.700 0.134 0.000 3.682 764 S HA -0.197 4.275 4.470 0.004 0.000 0.354 764 S C -0.157 174.488 174.600 0.074 0.000 1.034 764 S CA 0.169 58.413 58.200 0.075 0.000 1.084 764 S CB -1.882 61.352 63.200 0.057 0.000 0.903 764 S HN 0.265 nan 8.310 nan 0.000 0.470 765 L N 1.083 122.359 121.223 0.089 0.000 2.316 765 L HA 0.454 4.796 4.340 0.004 0.000 0.280 765 L C -1.886 175.030 176.870 0.077 0.000 1.006 765 L CA -2.029 52.862 54.840 0.085 0.000 0.836 765 L CB 1.359 43.487 42.059 0.116 0.000 1.221 765 L HN 0.020 nan 8.230 nan 0.000 0.418 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.139 63.100 0.066 0.000 0.800 766 P CB 0.000 31.729 31.700 0.049 0.000 0.726