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 3g0c_1_D 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 0.000 176.670 176.600 0.117 0.000 0.988 41 K CA 0.000 56.349 56.287 0.103 0.000 0.838 41 K CB 0.000 32.563 32.500 0.105 0.000 1.064 42 T N -1.917 112.718 114.554 0.135 0.000 2.924 42 T HA 0.339 4.689 4.350 0.000 0.000 0.291 42 T C -0.939 173.894 174.700 0.222 0.000 1.045 42 T CA -0.702 61.494 62.100 0.160 0.000 1.015 42 T CB 0.920 69.878 68.868 0.150 0.000 1.103 42 T HN 0.516 nan 8.240 nan 0.000 0.496 43 Y N 3.386 123.757 120.300 0.118 0.000 2.674 43 Y HA 0.340 4.890 4.550 0.000 0.000 0.354 43 Y C 1.016 177.078 175.900 0.269 0.000 1.089 43 Y CA -0.085 58.124 58.100 0.182 0.000 1.444 43 Y CB -0.376 38.145 38.460 0.103 0.000 1.187 43 Y HN 0.991 nan 8.280 nan 0.000 0.523 44 T N 2.341 116.907 114.554 0.020 0.000 2.847 44 T HA 0.120 4.470 4.350 0.000 0.000 0.279 44 T C 1.046 175.636 174.700 -0.183 0.000 0.984 44 T CA -0.685 61.459 62.100 0.073 0.000 0.988 44 T CB 1.257 70.133 68.868 0.015 0.000 1.040 44 T HN 0.692 nan 8.240 nan 0.000 0.528 45 L N 1.357 122.272 121.223 -0.512 0.000 2.042 45 L HA -0.039 4.301 4.340 0.000 0.000 0.210 45 L C 2.579 179.282 176.870 -0.278 0.000 1.076 45 L CA 2.311 56.736 54.840 -0.693 0.000 0.749 45 L CB -1.500 39.983 42.059 -0.959 0.000 0.893 45 L HN 0.971 nan 8.230 nan 0.000 0.432 46 T N -0.782 113.639 114.554 -0.223 0.000 2.788 46 T HA -0.156 4.194 4.350 0.000 0.000 0.268 46 T C 1.498 176.094 174.700 -0.173 0.000 1.044 46 T CA 1.341 63.344 62.100 -0.161 0.000 1.139 46 T CB -0.456 68.344 68.868 -0.114 0.000 0.867 46 T HN 0.411 nan 8.240 nan 0.000 0.454 47 D N 0.388 120.653 120.400 -0.224 0.000 2.104 47 D HA -0.108 4.532 4.640 0.000 0.000 0.194 47 D C 1.781 177.951 176.300 -0.217 0.000 0.994 47 D CA 1.133 54.966 54.000 -0.278 0.000 0.830 47 D CB -0.477 40.071 40.800 -0.420 0.000 0.959 47 D HN 0.418 nan 8.370 nan 0.000 0.452 48 Y N 1.568 121.642 120.300 -0.377 0.000 2.181 48 Y HA -0.137 4.414 4.550 0.000 0.000 0.288 48 Y C 2.191 178.078 175.900 -0.022 0.000 1.146 48 Y CA 1.230 59.293 58.100 -0.061 0.000 1.164 48 Y CB -0.527 37.968 38.460 0.059 0.000 0.982 48 Y HN -0.085 nan 8.280 nan 0.000 0.515 49 L N -0.406 120.616 121.223 -0.335 0.000 2.072 49 L HA -0.128 4.212 4.340 0.000 0.000 0.205 49 L C 1.922 178.668 176.870 -0.207 0.000 1.079 49 L CA 1.450 56.067 54.840 -0.370 0.000 0.752 49 L CB -0.404 41.507 42.059 -0.248 0.000 0.906 49 L HN -0.040 nan 8.230 nan 0.000 0.436 50 K N 0.124 120.433 120.400 -0.152 0.000 2.404 50 K HA 0.082 4.402 4.320 0.000 0.000 0.194 50 K C -0.075 176.473 176.600 -0.086 0.000 1.023 50 K CA -0.049 56.175 56.287 -0.105 0.000 1.094 50 K CB -0.206 32.235 32.500 -0.099 0.000 0.841 50 K HN 0.116 nan 8.250 nan 0.000 0.523 51 N N -0.302 118.355 118.700 -0.071 0.000 2.714 51 N HA -0.207 4.533 4.740 0.000 0.000 0.253 51 N C -0.040 175.447 175.510 -0.037 0.000 1.024 51 N CA 0.724 53.770 53.050 -0.006 0.000 0.726 51 N CB -0.683 37.803 38.487 -0.002 0.000 0.908 51 N HN 0.144 nan 8.380 nan 0.000 0.542 52 T N -0.782 113.702 114.554 -0.116 0.000 2.777 52 T HA -0.136 4.214 4.350 0.000 0.000 0.266 52 T C 0.273 174.751 174.700 -0.370 0.000 1.040 52 T CA 1.276 63.182 62.100 -0.322 0.000 1.141 52 T CB -0.063 68.480 68.868 -0.542 0.000 0.868 52 T HN 0.336 nan 8.240 nan 0.000 0.444 53 Y N 2.546 122.941 120.300 0.157 0.000 2.717 53 Y HA 0.409 4.960 4.550 0.000 0.000 0.329 53 Y C 0.428 176.439 175.900 0.184 0.000 1.017 53 Y CA -1.262 56.953 58.100 0.191 0.000 1.275 53 Y CB 0.240 38.870 38.460 0.284 0.000 1.109 53 Y HN -0.170 nan 8.280 nan 0.000 0.511 54 R N 2.863 123.498 120.500 0.226 0.000 2.490 54 R HA 0.376 4.716 4.340 0.000 0.000 0.280 54 R C -0.685 175.729 176.300 0.190 0.000 1.077 54 R CA -0.648 55.557 56.100 0.174 0.000 1.065 54 R CB 1.109 31.471 30.300 0.104 0.000 1.003 54 R HN 0.633 nan 8.270 nan 0.000 0.470 55 L N 3.058 124.390 121.223 0.182 0.000 2.265 55 L HA 0.285 4.625 4.340 0.000 0.000 0.288 55 L C 0.230 177.182 176.870 0.136 0.000 1.058 55 L CA -0.710 54.236 54.840 0.178 0.000 0.809 55 L CB 0.741 42.927 42.059 0.211 0.000 1.179 55 L HN 0.189 nan 8.230 nan 0.000 0.429 56 K N 3.719 124.193 120.400 0.123 0.000 2.276 56 K HA 0.570 4.890 4.320 0.000 0.000 0.283 56 K C -0.887 175.743 176.600 0.051 0.000 1.044 56 K CA -0.037 56.300 56.287 0.083 0.000 0.944 56 K CB 0.807 33.355 32.500 0.081 0.000 1.012 56 K HN 0.283 nan 8.250 nan 0.000 0.472 57 L N 2.211 123.397 121.223 -0.062 0.000 2.333 57 L HA 0.445 4.785 4.340 0.000 0.000 0.269 57 L C -0.495 176.085 176.870 -0.484 0.000 1.010 57 L CA -0.854 53.759 54.840 -0.379 0.000 0.818 57 L CB 0.937 42.931 42.059 -0.108 0.000 1.306 57 L HN 0.473 nan 8.230 nan 0.000 0.430 58 Y N 0.794 120.366 120.300 -1.213 0.000 2.793 58 Y HA 0.353 4.903 4.550 0.000 0.000 0.374 58 Y C 0.473 176.161 175.900 -0.353 0.000 1.135 58 Y CA -0.203 57.508 58.100 -0.648 0.000 1.451 58 Y CB 0.747 38.762 38.460 -0.742 0.000 1.541 58 Y HN 0.640 nan 8.280 nan 0.000 0.546 59 S N 4.119 119.720 115.700 -0.164 0.000 2.429 59 S HA 0.280 4.750 4.470 0.000 0.000 0.292 59 S C -0.367 174.170 174.600 -0.105 0.000 1.183 59 S CA -0.439 57.715 58.200 -0.077 0.000 1.088 59 S CB -0.880 62.297 63.200 -0.038 0.000 1.018 59 S HN 0.585 nan 8.310 nan 0.000 0.511 60 L N 3.691 124.811 121.223 -0.171 0.000 2.298 60 L HA 0.882 5.223 4.340 0.000 0.000 0.268 60 L C -0.305 176.466 176.870 -0.164 0.000 1.010 60 L CA -0.861 53.823 54.840 -0.260 0.000 0.812 60 L CB 0.984 42.592 42.059 -0.752 0.000 1.331 60 L HN 0.513 nan 8.230 nan 0.000 0.450 61 R N -0.599 119.823 120.500 -0.130 0.000 2.512 61 R HA 0.331 4.671 4.340 0.000 0.000 0.291 61 R C -2.141 174.193 176.300 0.056 0.000 1.097 61 R CA -0.534 55.567 56.100 0.002 0.000 0.940 61 R CB 0.226 30.578 30.300 0.086 0.000 1.198 61 R HN 0.743 nan 8.270 nan 0.000 0.429 62 W N 4.134 125.546 121.300 0.188 0.000 2.605 62 W HA 0.116 4.776 4.660 0.000 0.000 0.327 62 W C 1.221 177.845 176.519 0.174 0.000 1.332 62 W CA -0.654 56.814 57.345 0.206 0.000 1.403 62 W CB 0.321 29.894 29.460 0.188 0.000 1.452 62 W HN 0.551 nan 8.180 nan 0.000 0.503 63 I N 1.936 122.733 120.570 0.379 0.000 2.162 63 I HA -0.130 4.041 4.170 0.000 0.000 0.238 63 I C 1.570 177.846 176.117 0.264 0.000 1.076 63 I CA 1.237 62.686 61.300 0.249 0.000 1.353 63 I CB -1.433 36.650 38.000 0.137 0.000 1.063 63 I HN 0.364 nan 8.210 nan 0.000 0.408 64 S N -0.733 115.165 115.700 0.330 0.000 2.851 64 S HA 0.272 4.742 4.470 0.000 0.000 0.317 64 S C 0.365 175.138 174.600 0.288 0.000 1.144 64 S CA -0.476 57.896 58.200 0.286 0.000 0.862 64 S CB 1.722 65.094 63.200 0.286 0.000 1.259 64 S HN 0.116 nan 8.310 nan 0.000 0.564 65 D N -0.662 119.822 120.400 0.141 0.000 2.392 65 D HA 0.020 4.660 4.640 0.000 0.000 0.228 65 D C 0.853 177.020 176.300 -0.223 0.000 1.003 65 D CA 1.095 55.017 54.000 -0.130 0.000 0.917 65 D CB -0.115 40.525 40.800 -0.268 0.000 0.890 65 D HN 0.616 nan 8.370 nan 0.000 0.532 66 H N -1.736 117.538 119.070 0.340 0.000 3.794 66 H HA 0.333 4.890 4.556 0.000 0.000 0.258 66 H C 0.095 175.574 175.328 0.252 0.000 1.120 66 H CA -0.108 56.115 56.048 0.290 0.000 1.166 66 H CB 1.170 31.052 29.762 0.200 0.000 1.517 66 H HN 0.155 nan 8.280 nan 0.000 0.615 67 E N 0.444 120.930 120.200 0.478 0.000 2.433 67 E HA 0.427 4.777 4.350 0.000 0.000 0.273 67 E C -1.399 175.357 176.600 0.259 0.000 0.950 67 E CA -0.949 55.595 56.400 0.240 0.000 0.796 67 E CB 3.371 33.121 29.700 0.084 0.000 1.330 67 E HN 0.078 nan 8.360 nan 0.000 0.455 68 Y N -1.503 118.774 120.300 -0.038 0.000 2.900 68 Y HA 0.699 5.249 4.550 0.000 0.000 0.318 68 Y C -1.898 173.980 175.900 -0.036 0.000 1.457 68 Y CA -1.182 56.815 58.100 -0.172 0.000 1.082 68 Y CB 0.871 38.940 38.460 -0.653 0.000 1.419 68 Y HN 0.376 nan 8.280 nan 0.000 0.459 69 L N 1.021 122.429 121.223 0.308 0.000 2.354 69 L HA 0.622 4.962 4.340 0.000 0.000 0.264 69 L C -1.754 175.338 176.870 0.370 0.000 1.008 69 L CA -1.088 53.916 54.840 0.273 0.000 0.819 69 L CB 2.598 44.786 42.059 0.214 0.000 1.339 69 L HN 0.763 nan 8.230 nan 0.000 0.420 70 Y N 1.672 122.060 120.300 0.147 0.000 2.442 70 Y HA 0.297 4.847 4.550 0.000 0.000 0.330 70 Y C -0.930 174.977 175.900 0.012 0.000 1.100 70 Y CA -1.071 57.003 58.100 -0.042 0.000 1.034 70 Y CB 1.727 40.011 38.460 -0.295 0.000 1.285 70 Y HN 0.417 nan 8.280 nan 0.000 0.440 71 K N 5.307 125.296 120.400 -0.684 0.000 2.201 71 K HA 0.355 4.676 4.320 0.000 0.000 0.278 71 K C -0.654 175.618 176.600 -0.548 0.000 1.027 71 K CA -0.497 55.508 56.287 -0.470 0.000 0.909 71 K CB 0.757 33.063 32.500 -0.322 0.000 1.062 71 K HN 0.691 nan 8.250 nan 0.000 0.465 76 I N 1.441 121.947 120.570 -0.107 0.000 2.471 76 I HA 0.262 4.433 4.170 0.000 0.000 0.286 76 I C -0.388 175.761 176.117 0.052 0.000 1.079 76 I CA -0.190 61.080 61.300 -0.050 0.000 1.398 76 I CB 0.448 38.372 38.000 -0.126 0.000 1.403 76 I HN 0.242 nan 8.210 nan 0.000 0.530 77 L N 7.214 128.495 121.223 0.096 0.000 2.386 77 L HA 0.461 4.801 4.340 0.000 0.000 0.271 77 L C -0.210 176.666 176.870 0.011 0.000 0.993 77 L CA -0.625 54.252 54.840 0.061 0.000 0.819 77 L CB 2.064 44.169 42.059 0.077 0.000 1.294 77 L HN 0.327 nan 8.230 nan 0.000 0.414 78 V N -0.354 119.422 119.914 -0.230 0.000 2.881 78 V HA 0.519 4.639 4.120 0.000 0.000 0.303 78 V C -0.530 175.319 176.094 -0.410 0.000 1.070 78 V CA -0.394 61.705 62.300 -0.335 0.000 1.074 78 V CB 0.808 32.328 31.823 -0.505 0.000 1.012 78 V HN 0.474 nan 8.190 nan 0.000 0.482 79 F N 1.411 121.053 119.950 -0.513 0.000 2.581 79 F HA 0.456 4.983 4.527 0.000 0.000 0.311 79 F C 0.114 175.600 175.800 -0.523 0.000 1.113 79 F CA -0.569 57.051 58.000 -0.633 0.000 0.935 79 F CB 1.957 40.195 39.000 -1.270 0.000 1.232 79 F HN 0.687 nan 8.300 nan 0.000 0.445 80 N N 1.444 120.051 118.700 -0.155 0.000 2.495 80 N HA 0.585 5.325 4.740 0.000 0.000 0.280 80 N C -0.029 175.456 175.510 -0.041 0.000 1.168 80 N CA 0.359 53.369 53.050 -0.068 0.000 0.978 80 N CB 2.083 40.553 38.487 -0.028 0.000 1.191 80 N HN 0.773 nan 8.380 nan 0.000 0.497 81 A N 1.778 124.541 122.820 -0.094 0.000 1.969 81 A HA 0.017 4.337 4.320 0.000 0.000 0.205 81 A C 1.262 178.712 177.584 -0.223 0.000 1.364 81 A CA 0.117 51.969 52.037 -0.307 0.000 0.756 81 A CB -0.407 18.014 19.000 -0.966 0.000 0.988 81 A HN 0.811 nan 8.150 nan 0.000 0.490 82 E N -1.354 118.802 120.200 -0.073 0.000 2.520 82 E HA -0.114 4.236 4.350 0.000 0.000 0.201 82 E C 0.156 176.721 176.600 -0.057 0.000 1.122 82 E CA 0.956 57.407 56.400 0.084 0.000 0.896 82 E CB -0.275 29.553 29.700 0.213 0.000 0.891 82 E HN 0.729 nan 8.360 nan 0.000 0.533 83 Y N -1.248 119.055 120.300 0.005 0.000 2.473 83 Y HA 0.225 4.775 4.550 0.000 0.000 0.291 83 Y C 1.641 177.537 175.900 -0.006 0.000 1.042 83 Y CA 0.385 58.485 58.100 0.000 0.000 0.996 83 Y CB 0.776 39.230 38.460 -0.010 0.000 1.385 83 Y HN 0.187 nan 8.280 nan 0.000 0.578 84 G N 1.451 110.336 108.800 0.143 0.000 2.179 84 G HA2 -0.314 3.646 3.960 0.000 0.000 0.260 84 G HA3 -0.314 3.646 3.960 0.000 0.000 0.260 84 G C -0.011 174.969 174.900 0.133 0.000 0.977 84 G CA 0.288 45.462 45.100 0.124 0.000 0.641 84 G HN 0.491 nan 8.290 nan 0.000 0.533 85 N N 0.787 119.523 118.700 0.060 0.000 2.482 85 N HA 0.513 5.253 4.740 0.000 0.000 0.260 85 N C 0.201 175.570 175.510 -0.235 0.000 1.236 85 N CA 0.642 53.655 53.050 -0.062 0.000 0.938 85 N CB 1.378 39.808 38.487 -0.094 0.000 1.128 85 N HN 0.846 nan 8.380 nan 0.000 0.448 86 S N -0.431 115.023 115.700 -0.411 0.000 2.689 86 S HA 0.801 5.271 4.470 0.000 0.000 0.306 86 S C -0.531 173.811 174.600 -0.430 0.000 1.104 86 S CA -0.799 56.966 58.200 -0.725 0.000 0.973 86 S CB 1.161 63.483 63.200 -1.463 0.000 1.121 86 S HN 0.873 nan 8.310 nan 0.000 0.523 87 S N -0.291 115.168 115.700 -0.402 0.000 2.588 87 S HA 0.677 5.147 4.470 0.000 0.000 0.275 87 S C -0.569 173.931 174.600 -0.166 0.000 1.130 87 S CA -0.934 57.128 58.200 -0.231 0.000 0.855 87 S CB 0.729 63.827 63.200 -0.171 0.000 1.116 87 S HN 0.818 nan 8.310 nan 0.000 0.472 88 V N 1.861 121.721 119.914 -0.090 0.000 2.872 88 V HA 0.337 4.457 4.120 0.000 0.000 0.307 88 V C -0.003 176.143 176.094 0.087 0.000 1.072 88 V CA 0.418 62.696 62.300 -0.036 0.000 1.148 88 V CB 0.010 31.800 31.823 -0.055 0.000 0.954 88 V HN 0.916 nan 8.190 nan 0.000 0.490 89 F N 1.940 121.797 119.950 -0.155 0.000 2.546 89 F HA 0.548 5.076 4.527 0.000 0.000 0.200 89 F C -0.130 175.546 175.800 -0.207 0.000 1.416 89 F CA -0.649 57.255 58.000 -0.161 0.000 1.120 89 F CB 0.722 39.636 39.000 -0.143 0.000 1.997 89 F HN 0.265 nan 8.300 nan 0.000 0.174 90 L N 0.706 121.662 121.223 -0.446 0.000 2.874 90 L HA 0.557 4.897 4.340 0.000 0.000 0.229 90 L C -1.187 175.422 176.870 -0.435 0.000 1.200 90 L CA -0.123 54.349 54.840 -0.613 0.000 0.976 90 L CB 1.079 42.698 42.059 -0.734 0.000 1.887 90 L HN 0.484 nan 8.230 nan 0.000 0.543 91 E N -1.404 118.468 120.200 -0.546 0.000 2.405 91 E HA 0.058 4.408 4.350 0.000 0.000 0.283 91 E C -0.627 175.723 176.600 -0.418 0.000 1.140 91 E CA -0.332 55.825 56.400 -0.405 0.000 0.904 91 E CB 0.569 30.062 29.700 -0.346 0.000 1.209 91 E HN 0.569 nan 8.360 nan 0.000 0.428 92 N N 0.433 118.996 118.700 -0.229 0.000 2.515 92 N HA -0.076 4.664 4.740 0.000 0.000 0.185 92 N C 0.522 175.969 175.510 -0.105 0.000 1.109 92 N CA 1.377 54.356 53.050 -0.119 0.000 0.903 92 N CB 0.220 38.677 38.487 -0.051 0.000 0.969 92 N HN 0.268 nan 8.380 nan 0.000 0.450 93 S N -2.275 113.326 115.700 -0.166 0.000 2.539 93 S HA 0.168 4.638 4.470 0.000 0.000 0.221 93 S C 1.286 175.761 174.600 -0.209 0.000 0.987 93 S CA -0.348 57.772 58.200 -0.134 0.000 0.929 93 S CB 0.301 63.441 63.200 -0.100 0.000 0.832 93 S HN 0.104 nan 8.310 nan 0.000 0.492 94 T N 1.845 116.161 114.554 -0.397 0.000 2.978 94 T HA 0.242 4.592 4.350 0.000 0.000 0.262 94 T C -0.239 174.150 174.700 -0.518 0.000 1.063 94 T CA 0.667 62.448 62.100 -0.532 0.000 1.140 94 T CB -0.308 68.083 68.868 -0.795 0.000 0.886 94 T HN 0.477 nan 8.240 nan 0.000 0.470 95 F N 2.240 122.067 119.950 -0.204 0.000 2.560 95 F HA 0.365 4.892 4.527 0.000 0.000 0.338 95 F C 1.011 176.796 175.800 -0.024 0.000 1.201 95 F CA -1.832 56.074 58.000 -0.156 0.000 1.291 95 F CB -0.512 38.248 39.000 -0.400 0.000 1.627 95 F HN 0.018 nan 8.300 nan 0.000 0.588 96 D N 1.159 121.613 120.400 0.089 0.000 2.075 96 D HA -0.142 4.498 4.640 0.000 0.000 0.196 96 D C 1.435 177.808 176.300 0.122 0.000 0.985 96 D CA 1.403 55.443 54.000 0.067 0.000 0.834 96 D CB 0.176 40.980 40.800 0.007 0.000 0.987 96 D HN 0.442 nan 8.370 nan 0.000 0.452 97 E N -0.709 119.562 120.200 0.118 0.000 2.461 97 E HA -0.063 4.288 4.350 0.000 0.000 0.196 97 E C 1.070 177.756 176.600 0.142 0.000 1.129 97 E CA -0.331 56.127 56.400 0.097 0.000 0.902 97 E CB -0.296 29.443 29.700 0.065 0.000 0.963 97 E HN 0.413 nan 8.360 nan 0.000 0.503 98 F N 0.437 120.423 119.950 0.061 0.000 2.146 98 F HA -0.128 4.399 4.527 0.000 0.000 0.298 98 F C 1.829 177.645 175.800 0.027 0.000 1.096 98 F CA 1.798 59.838 58.000 0.067 0.000 1.275 98 F CB 0.153 39.201 39.000 0.081 0.000 1.008 98 F HN 0.192 nan 8.300 nan 0.000 0.480 99 G N -1.084 107.750 108.800 0.057 0.000 3.400 99 G HA2 -0.252 3.708 3.960 0.000 0.000 0.209 99 G HA3 -0.252 3.708 3.960 0.000 0.000 0.209 99 G C 0.248 175.087 174.900 -0.101 0.000 1.411 99 G CA 0.071 45.093 45.100 -0.130 0.000 0.917 99 G HN 0.462 nan 8.290 nan 0.000 0.570 100 H N 1.512 120.548 119.070 -0.057 0.000 2.790 100 H HA 0.434 4.990 4.556 0.000 0.000 0.358 100 H C 0.677 176.099 175.328 0.156 0.000 1.103 100 H CA 0.869 56.934 56.048 0.029 0.000 1.426 100 H CB 1.184 30.856 29.762 -0.150 0.000 1.424 100 H HN 0.385 nan 8.280 nan 0.000 0.599 101 S N 2.495 118.338 115.700 0.237 0.000 2.528 101 S HA 0.104 4.574 4.470 0.000 0.000 0.277 101 S C 0.119 174.836 174.600 0.196 0.000 1.297 101 S CA -0.961 57.343 58.200 0.172 0.000 1.052 101 S CB -0.183 63.090 63.200 0.123 0.000 0.917 101 S HN 0.325 nan 8.310 nan 0.000 0.492 102 I N 5.615 126.262 120.570 0.128 0.000 2.301 102 I HA 0.202 4.372 4.170 0.000 0.000 0.292 102 I C 1.231 177.399 176.117 0.084 0.000 1.046 102 I CA -0.181 61.183 61.300 0.107 0.000 1.282 102 I CB 0.453 38.474 38.000 0.035 0.000 1.409 102 I HN 0.770 nan 8.210 nan 0.000 0.484 103 N N 4.080 122.832 118.700 0.086 0.000 2.207 103 N HA -0.070 4.670 4.740 0.000 0.000 0.182 103 N C 0.070 175.581 175.510 0.001 0.000 1.020 103 N CA 1.312 54.355 53.050 -0.013 0.000 0.858 103 N CB 0.427 38.861 38.487 -0.088 0.000 0.991 103 N HN 0.675 nan 8.380 nan 0.000 0.427 104 D N -2.877 117.574 120.400 0.085 0.000 2.671 104 D HA 0.170 4.810 4.640 0.000 0.000 0.273 104 D C -1.674 174.771 176.300 0.241 0.000 1.264 104 D CA -0.522 53.553 54.000 0.125 0.000 0.788 104 D CB 0.753 41.575 40.800 0.036 0.000 1.324 104 D HN 0.065 nan 8.370 nan 0.000 0.424 105 Y N -1.139 119.234 120.300 0.121 0.000 2.576 105 Y HA 0.784 5.334 4.550 0.000 0.000 0.346 105 Y C -1.085 174.939 175.900 0.207 0.000 1.018 105 Y CA -1.025 57.170 58.100 0.158 0.000 1.050 105 Y CB 1.826 40.366 38.460 0.132 0.000 1.280 105 Y HN 0.134 nan 8.280 nan 0.000 0.474 106 S N 2.968 118.870 115.700 0.337 0.000 2.750 106 S HA 0.567 5.037 4.470 0.000 0.000 0.276 106 S C -1.465 173.460 174.600 0.541 0.000 1.165 106 S CA -0.701 57.709 58.200 0.351 0.000 1.047 106 S CB 0.172 63.589 63.200 0.362 0.000 1.056 106 S HN 0.615 nan 8.310 nan 0.000 0.481 107 I N 4.613 125.386 120.570 0.338 0.000 2.496 107 I HA 0.213 4.383 4.170 0.000 0.000 0.285 107 I C 1.168 177.081 176.117 -0.339 0.000 1.080 107 I CA -0.216 61.163 61.300 0.132 0.000 1.404 107 I CB 0.902 39.002 38.000 0.166 0.000 1.403 107 I HN 0.805 nan 8.210 nan 0.000 0.539 108 S N 6.758 121.941 115.700 -0.861 0.000 2.537 108 S HA 0.135 4.605 4.470 0.000 0.000 0.286 108 S C -1.755 172.537 174.600 -0.514 0.000 1.299 108 S CA -0.857 56.493 58.200 -1.417 0.000 1.067 108 S CB 0.567 62.969 63.200 -1.330 0.000 0.864 108 S HN 0.438 nan 8.310 nan 0.000 0.494 109 P HA -0.151 nan 4.420 nan 0.000 0.222 109 P C 0.987 178.248 177.300 -0.066 0.000 1.142 109 P CA 1.372 64.403 63.100 -0.115 0.000 0.788 109 P CB -0.033 31.626 31.700 -0.068 0.000 0.767 110 D N -1.763 118.587 120.400 -0.083 0.000 2.271 110 D HA 0.021 4.661 4.640 0.000 0.000 0.206 110 D C 1.401 177.698 176.300 -0.004 0.000 0.967 110 D CA 1.180 55.174 54.000 -0.010 0.000 0.867 110 D CB -0.813 40.015 40.800 0.046 0.000 0.960 110 D HN 0.182 nan 8.370 nan 0.000 0.509 111 G N 0.607 109.383 108.800 -0.041 0.000 2.131 111 G HA2 -0.270 3.690 3.960 0.000 0.000 0.201 111 G HA3 -0.270 3.690 3.960 0.000 0.000 0.201 111 G C 0.703 175.576 174.900 -0.046 0.000 1.000 111 G CA 0.344 45.433 45.100 -0.018 0.000 0.680 111 G HN 0.428 nan 8.290 nan 0.000 0.514 112 Q N -1.579 118.159 119.800 -0.103 0.000 2.378 112 Q HA 0.440 4.780 4.340 0.000 0.000 0.229 112 Q C -0.140 175.478 176.000 -0.637 0.000 0.882 112 Q CA 0.467 56.074 55.803 -0.326 0.000 0.936 112 Q CB 0.705 29.246 28.738 -0.328 0.000 1.092 112 Q HN 0.493 nan 8.270 nan 0.000 0.535 113 F N 0.128 119.997 119.950 -0.135 0.000 2.561 113 F HA 0.447 4.974 4.527 0.000 0.000 0.313 113 F C -0.625 175.196 175.800 0.035 0.000 1.126 113 F CA -0.945 57.029 58.000 -0.043 0.000 0.918 113 F CB 1.706 40.699 39.000 -0.013 0.000 1.199 113 F HN -0.152 nan 8.300 nan 0.000 0.444 114 I N 4.571 125.356 120.570 0.358 0.000 2.412 114 I HA 0.519 4.689 4.170 0.000 0.000 0.296 114 I C -1.537 174.862 176.117 0.469 0.000 0.987 114 I CA -1.064 60.465 61.300 0.382 0.000 1.180 114 I CB 1.367 39.522 38.000 0.259 0.000 1.340 114 I HN 0.553 nan 8.210 nan 0.000 0.455 115 L N 8.459 130.006 121.223 0.539 0.000 2.295 115 L HA 0.551 4.891 4.340 0.000 0.000 0.285 115 L C -1.453 175.610 176.870 0.321 0.000 1.035 115 L CA -0.128 54.949 54.840 0.395 0.000 0.806 115 L CB 1.274 43.506 42.059 0.288 0.000 1.214 115 L HN 0.497 nan 8.230 nan 0.000 0.426 116 L N 4.519 125.903 121.223 0.269 0.000 2.317 116 L HA 0.564 4.904 4.340 0.000 0.000 0.281 116 L C -0.280 176.783 176.870 0.322 0.000 1.024 116 L CA -0.522 54.450 54.840 0.219 0.000 0.810 116 L CB 1.739 43.796 42.059 -0.003 0.000 1.240 116 L HN 0.654 nan 8.230 nan 0.000 0.427 117 E N 3.244 123.588 120.200 0.241 0.000 2.145 117 E HA 0.479 4.829 4.350 0.000 0.000 0.270 117 E C -1.691 174.984 176.600 0.125 0.000 0.906 117 E CA -0.503 55.911 56.400 0.023 0.000 0.761 117 E CB 1.231 31.014 29.700 0.137 0.000 1.116 117 E HN 0.445 nan 8.360 nan 0.000 0.408 118 Y N 1.778 121.971 120.300 -0.178 0.000 2.728 118 Y HA 0.470 5.020 4.550 0.000 0.000 0.330 118 Y C -0.078 175.793 175.900 -0.048 0.000 1.234 118 Y CA -1.552 56.527 58.100 -0.034 0.000 1.070 118 Y CB 0.442 38.937 38.460 0.059 0.000 1.300 118 Y HN 0.505 nan 8.280 nan 0.000 0.467 119 N N -0.658 118.093 118.700 0.086 0.000 2.725 119 N HA -0.297 4.443 4.740 0.000 0.000 0.249 119 N C -0.948 174.559 175.510 -0.005 0.000 1.103 119 N CA 1.040 54.086 53.050 -0.007 0.000 0.707 119 N CB -1.665 36.705 38.487 -0.195 0.000 1.043 119 N HN 0.863 nan 8.380 nan 0.000 0.553 120 Y N 0.405 120.670 120.300 -0.058 0.000 2.632 120 Y HA 0.284 4.834 4.550 0.000 0.000 0.329 120 Y C 0.031 175.924 175.900 -0.011 0.000 1.174 120 Y CA 0.058 58.132 58.100 -0.045 0.000 1.469 120 Y CB 0.681 39.081 38.460 -0.100 0.000 1.242 120 Y HN -0.033 nan 8.280 nan 0.000 0.540 121 V N 7.894 127.444 119.914 -0.608 0.000 2.488 121 V HA 0.199 4.319 4.120 0.000 0.000 0.293 121 V C -0.388 175.338 176.094 -0.614 0.000 1.027 121 V CA -1.452 60.565 62.300 -0.471 0.000 0.862 121 V CB 1.383 33.080 31.823 -0.209 0.000 1.008 121 V HN 0.747 nan 8.190 nan 0.000 0.428 122 K N 3.632 123.695 120.400 -0.562 0.000 2.401 122 K HA 0.208 4.528 4.320 0.000 0.000 0.278 122 K C 0.482 176.926 176.600 -0.259 0.000 1.018 122 K CA 0.272 56.364 56.287 -0.325 0.000 0.981 122 K CB 1.133 33.595 32.500 -0.064 0.000 0.933 122 K HN 0.819 nan 8.250 nan 0.000 0.477 123 Q N 3.165 122.792 119.800 -0.290 0.000 2.471 123 Q HA 0.169 4.509 4.340 0.000 0.000 0.207 123 Q C -0.103 175.623 176.000 -0.458 0.000 0.889 123 Q CA -0.295 55.153 55.803 -0.593 0.000 0.726 123 Q CB 0.086 28.335 28.738 -0.815 0.000 2.132 123 Q HN 0.721 nan 8.270 nan 0.000 0.531 124 W N 0.105 121.386 121.300 -0.031 0.000 1.945 124 W HA 0.384 5.044 4.660 0.000 0.000 0.606 124 W C 1.752 178.241 176.519 -0.049 0.000 1.803 124 W CA -0.765 56.578 57.345 -0.003 0.000 1.990 124 W CB -0.105 29.310 29.460 -0.075 0.000 2.848 124 W HN 0.242 nan 8.180 nan 0.000 0.771 125 R N -0.518 120.067 120.500 0.142 0.000 2.081 125 R HA -0.162 4.178 4.340 0.000 0.000 0.235 125 R C 1.705 177.841 176.300 -0.273 0.000 1.131 125 R CA 1.880 57.896 56.100 -0.140 0.000 0.960 125 R CB -0.416 29.676 30.300 -0.346 0.000 0.856 125 R HN 0.526 nan 8.270 nan 0.000 0.436 126 H N -1.060 118.072 119.070 0.103 0.000 2.594 126 H HA 0.132 4.689 4.556 0.000 0.000 0.274 126 H C 0.735 176.150 175.328 0.144 0.000 0.982 126 H CA 0.528 56.662 56.048 0.143 0.000 1.228 126 H CB 0.005 29.828 29.762 0.102 0.000 1.447 126 H HN 0.158 nan 8.280 nan 0.000 0.485 127 S N 1.431 117.104 115.700 -0.044 0.000 2.568 127 S HA 0.255 4.725 4.470 0.000 0.000 0.282 127 S C -0.187 174.280 174.600 -0.222 0.000 1.338 127 S CA -0.308 57.511 58.200 -0.636 0.000 1.045 127 S CB 0.270 62.638 63.200 -1.387 0.000 0.873 127 S HN 0.476 nan 8.310 nan 0.000 0.516 128 Y N -2.269 117.873 120.300 -0.264 0.000 2.779 128 Y HA 0.718 5.268 4.550 0.000 0.000 0.340 128 Y C -0.895 174.994 175.900 -0.018 0.000 1.252 128 Y CA -1.211 56.773 58.100 -0.194 0.000 1.072 128 Y CB 0.801 39.132 38.460 -0.215 0.000 1.343 128 Y HN 0.602 nan 8.280 nan 0.000 0.450 129 T N 1.311 115.927 114.554 0.103 0.000 2.876 129 T HA 0.901 5.251 4.350 0.000 0.000 0.289 129 T C -1.123 173.641 174.700 0.107 0.000 1.014 129 T CA -0.012 62.145 62.100 0.095 0.000 0.986 129 T CB 1.332 70.203 68.868 0.005 0.000 1.021 129 T HN 1.164 nan 8.240 nan 0.000 0.458 130 A N 1.911 124.778 122.820 0.078 0.000 2.609 130 A HA 0.821 5.141 4.320 0.000 0.000 0.291 130 A C -0.723 176.617 177.584 -0.406 0.000 1.096 130 A CA -0.721 51.216 52.037 -0.166 0.000 0.684 130 A CB 1.544 20.424 19.000 -0.200 0.000 1.282 130 A HN 0.648 nan 8.150 nan 0.000 0.412 131 S N -0.390 114.870 115.700 -0.733 0.000 2.617 131 S HA 0.768 5.238 4.470 0.000 0.000 0.283 131 S C -1.299 172.632 174.600 -1.115 0.000 1.189 131 S CA -0.015 57.654 58.200 -0.884 0.000 1.036 131 S CB 0.496 63.007 63.200 -1.149 0.000 1.014 131 S HN 0.446 nan 8.310 nan 0.000 0.522 132 Y N 0.165 120.263 120.300 -0.335 0.000 2.576 132 Y HA 0.592 5.142 4.550 0.000 0.000 0.346 132 Y C -0.126 175.821 175.900 0.078 0.000 1.018 132 Y CA -0.927 57.124 58.100 -0.082 0.000 1.050 132 Y CB 1.768 40.125 38.460 -0.173 0.000 1.280 132 Y HN 0.479 nan 8.280 nan 0.000 0.474 133 D N 1.099 121.697 120.400 0.329 0.000 2.661 133 D HA 0.549 5.189 4.640 0.000 0.000 0.228 133 D C -1.308 175.110 176.300 0.196 0.000 1.210 133 D CA -0.343 53.798 54.000 0.236 0.000 0.826 133 D CB 2.705 43.711 40.800 0.344 0.000 1.542 133 D HN 0.410 nan 8.370 nan 0.000 0.447 134 I N 1.290 121.935 120.570 0.124 0.000 2.509 134 I HA 0.380 4.550 4.170 0.000 0.000 0.293 134 I C -1.033 175.179 176.117 0.158 0.000 1.020 134 I CA -0.818 60.603 61.300 0.201 0.000 1.088 134 I CB 1.502 39.591 38.000 0.147 0.000 1.267 134 I HN 0.145 nan 8.210 nan 0.000 0.430 135 Y N 2.155 122.524 120.300 0.116 0.000 2.429 135 Y HA 0.267 4.817 4.550 0.000 0.000 0.342 135 Y C -0.022 175.968 175.900 0.149 0.000 1.004 135 Y CA -0.957 57.177 58.100 0.056 0.000 1.075 135 Y CB 1.475 39.855 38.460 -0.134 0.000 1.214 135 Y HN 0.486 nan 8.280 nan 0.000 0.455 136 D N 3.372 123.856 120.400 0.139 0.000 2.383 136 D HA 0.015 4.655 4.640 0.000 0.000 0.245 136 D C 0.998 177.202 176.300 -0.161 0.000 1.263 136 D CA 0.290 54.124 54.000 -0.276 0.000 0.936 136 D CB 0.433 41.100 40.800 -0.222 0.000 1.053 136 D HN 0.713 nan 8.370 nan 0.000 0.507 137 L N 4.009 125.125 121.223 -0.178 0.000 2.189 137 L HA -0.256 4.084 4.340 0.000 0.000 0.214 137 L C 1.364 178.179 176.870 -0.091 0.000 1.097 137 L CA 1.235 56.036 54.840 -0.065 0.000 0.764 137 L CB -0.173 41.870 42.059 -0.027 0.000 0.900 137 L HN 0.363 nan 8.230 nan 0.000 0.436 138 N N 0.652 119.262 118.700 -0.151 0.000 2.043 138 N HA -0.208 4.532 4.740 0.000 0.000 0.193 138 N C 1.463 176.932 175.510 -0.068 0.000 1.037 138 N CA 1.777 54.763 53.050 -0.107 0.000 0.851 138 N CB -0.250 38.155 38.487 -0.136 0.000 1.027 138 N HN 0.437 nan 8.380 nan 0.000 0.422 139 K N 0.322 120.687 120.400 -0.057 0.000 2.367 139 K HA 0.249 4.569 4.320 0.000 0.000 0.194 139 K C -0.009 176.616 176.600 0.043 0.000 1.027 139 K CA -0.178 56.100 56.287 -0.015 0.000 1.075 139 K CB 0.634 33.123 32.500 -0.018 0.000 0.845 139 K HN 0.091 nan 8.250 nan 0.000 0.529 140 R N 1.320 121.874 120.500 0.091 0.000 3.863 140 R HA -0.204 4.136 4.340 0.000 0.000 0.313 140 R C -0.572 175.974 176.300 0.411 0.000 1.202 140 R CA 1.070 57.322 56.100 0.253 0.000 0.852 140 R CB -2.089 28.296 30.300 0.142 0.000 1.292 140 R HN 0.518 nan 8.270 nan 0.000 0.519 141 Q N 0.476 120.409 119.800 0.221 0.000 2.282 141 Q HA 0.550 4.890 4.340 0.000 0.000 0.260 141 Q C 0.006 175.799 176.000 -0.345 0.000 0.964 141 Q CA -1.052 54.778 55.803 0.046 0.000 0.880 141 Q CB 1.655 30.395 28.738 0.004 0.000 1.286 141 Q HN 0.090 nan 8.270 nan 0.000 0.445 142 L N 3.485 124.230 121.223 -0.796 0.000 2.416 142 L HA 0.196 4.537 4.340 0.000 0.000 0.272 142 L C -0.644 175.976 176.870 -0.416 0.000 1.161 142 L CA -0.362 53.821 54.840 -1.095 0.000 0.845 142 L CB 0.423 41.938 42.059 -0.907 0.000 1.119 142 L HN 0.823 nan 8.230 nan 0.000 0.464 143 I N 5.357 125.755 120.570 -0.286 0.000 2.577 143 I HA -0.079 4.091 4.170 0.000 0.000 0.299 143 I C 1.946 177.994 176.117 -0.116 0.000 1.157 143 I CA 0.517 61.746 61.300 -0.119 0.000 1.418 143 I CB 0.329 38.301 38.000 -0.047 0.000 1.467 143 I HN 0.761 nan 8.210 nan 0.000 0.624 144 T N 2.239 116.732 114.554 -0.102 0.000 2.699 144 T HA -0.174 4.176 4.350 0.000 0.000 0.268 144 T C 0.769 175.426 174.700 -0.072 0.000 1.036 144 T CA 1.258 63.307 62.100 -0.084 0.000 1.147 144 T CB -0.183 68.646 68.868 -0.065 0.000 0.862 144 T HN 0.604 nan 8.240 nan 0.000 0.446 145 E N 0.851 121.012 120.200 -0.065 0.000 2.281 145 E HA 0.237 4.587 4.350 0.000 0.000 0.257 145 E C -0.606 175.949 176.600 -0.076 0.000 0.971 145 E CA -0.689 55.672 56.400 -0.065 0.000 0.839 145 E CB 1.014 30.683 29.700 -0.051 0.000 1.238 145 E HN 0.220 nan 8.360 nan 0.000 0.412 146 E N 0.247 120.397 120.200 -0.084 0.000 2.320 146 E HA -0.191 4.159 4.350 0.000 0.000 0.234 146 E C -0.537 175.985 176.600 -0.131 0.000 1.183 146 E CA 0.604 56.944 56.400 -0.100 0.000 0.713 146 E CB -1.337 28.313 29.700 -0.084 0.000 1.226 146 E HN 0.494 nan 8.360 nan 0.000 0.382 147 R N -0.256 120.156 120.500 -0.146 0.000 2.774 147 R HA 0.366 4.706 4.340 0.000 0.000 0.269 147 R C 1.094 177.229 176.300 -0.275 0.000 1.068 147 R CA -0.259 55.737 56.100 -0.173 0.000 1.180 147 R CB 0.481 30.697 30.300 -0.140 0.000 1.077 147 R HN 0.109 nan 8.270 nan 0.000 0.513 148 I N 4.016 124.394 120.570 -0.321 0.000 2.396 148 I HA 0.135 4.305 4.170 0.000 0.000 0.289 148 I C -1.627 174.204 176.117 -0.477 0.000 1.056 148 I CA -1.998 58.974 61.300 -0.546 0.000 1.365 148 I CB 0.874 38.544 38.000 -0.550 0.000 1.407 148 I HN 0.325 nan 8.210 nan 0.000 0.509 149 P HA 0.024 nan 4.420 nan 0.000 0.267 149 P C -0.669 176.416 177.300 -0.358 0.000 1.200 149 P CA -0.232 62.501 63.100 -0.612 0.000 0.772 149 P CB 0.398 31.346 31.700 -1.253 0.000 0.855 150 N N 1.868 120.442 118.700 -0.211 0.000 2.307 150 N HA -0.090 4.650 4.740 0.000 0.000 0.230 150 N C 0.471 176.029 175.510 0.080 0.000 1.297 150 N CA 0.475 53.468 53.050 -0.095 0.000 0.884 150 N CB -0.666 37.787 38.487 -0.056 0.000 1.115 150 N HN 0.447 nan 8.380 nan 0.000 0.436 151 N N -2.077 116.667 118.700 0.072 0.000 2.754 151 N HA -0.167 4.573 4.740 0.000 0.000 0.248 151 N C -1.040 174.642 175.510 0.287 0.000 1.093 151 N CA 0.511 53.655 53.050 0.156 0.000 0.699 151 N CB -1.344 37.245 38.487 0.169 0.000 1.016 151 N HN 0.442 nan 8.380 nan 0.000 0.552 152 T N 0.326 115.039 114.554 0.265 0.000 2.869 152 T HA 0.139 4.489 4.350 0.000 0.000 0.295 152 T C 1.371 176.241 174.700 0.282 0.000 0.987 152 T CA -0.123 62.172 62.100 0.323 0.000 1.109 152 T CB 1.445 70.459 68.868 0.245 0.000 0.932 152 T HN 0.185 nan 8.240 nan 0.000 0.518 153 Q N 1.407 121.353 119.800 0.243 0.000 2.391 153 Q HA 0.199 4.539 4.340 0.000 0.000 0.211 153 Q C -0.071 176.082 176.000 0.256 0.000 0.908 153 Q CA 0.144 56.095 55.803 0.247 0.000 0.920 153 Q CB 0.996 29.837 28.738 0.171 0.000 1.056 153 Q HN 0.696 nan 8.270 nan 0.000 0.523 154 W N 0.580 121.839 121.300 -0.069 0.000 4.071 154 W HA 0.377 5.037 4.660 0.000 0.000 0.274 154 W C -2.060 174.366 176.519 -0.156 0.000 1.278 154 W CA -0.874 56.386 57.345 -0.141 0.000 1.258 154 W CB 1.028 30.353 29.460 -0.225 0.000 1.236 154 W HN -0.245 nan 8.180 nan 0.000 0.530 155 V N 1.848 121.067 119.914 -1.159 0.000 2.769 155 V HA 0.949 5.069 4.120 0.000 0.000 0.312 155 V C -0.843 174.546 176.094 -1.175 0.000 1.061 155 V CA -0.633 61.063 62.300 -1.007 0.000 0.931 155 V CB 1.451 32.594 31.823 -1.134 0.000 1.010 155 V HN 0.555 nan 8.190 nan 0.000 0.433 156 T N 2.897 117.111 114.554 -0.566 0.000 3.193 156 T HA 0.466 4.816 4.350 0.000 0.000 0.332 156 T C -1.543 173.169 174.700 0.022 0.000 1.208 156 T CA -0.321 61.664 62.100 -0.193 0.000 1.080 156 T CB 0.839 69.865 68.868 0.263 0.000 1.180 156 T HN 0.781 nan 8.240 nan 0.000 0.469 157 W N 3.511 124.841 121.300 0.050 0.000 2.202 157 W HA 0.461 5.121 4.660 0.000 0.000 0.332 157 W C 1.175 177.443 176.519 -0.417 0.000 1.263 157 W CA -0.672 56.621 57.345 -0.087 0.000 1.223 157 W CB 0.735 30.158 29.460 -0.061 0.000 1.128 157 W HN 0.785 nan 8.180 nan 0.000 0.573 158 S N 2.102 117.416 115.700 -0.644 0.000 2.568 158 S HA 0.067 4.538 4.470 0.000 0.000 0.282 158 S C -1.793 172.507 174.600 -0.499 0.000 1.338 158 S CA -0.950 56.412 58.200 -1.398 0.000 1.045 158 S CB 0.950 63.366 63.200 -1.307 0.000 0.873 158 S HN 0.284 nan 8.310 nan 0.000 0.516 159 P HA -0.050 nan 4.420 nan 0.000 0.217 159 P C 0.357 177.606 177.300 -0.085 0.000 1.148 159 P CA 1.168 64.215 63.100 -0.088 0.000 0.828 159 P CB -0.209 31.482 31.700 -0.016 0.000 0.783 160 V N -6.963 112.863 119.914 -0.148 0.000 3.040 160 V HA 0.893 5.013 4.120 0.000 0.000 0.312 160 V C 0.288 176.279 176.094 -0.172 0.000 1.115 160 V CA -0.487 61.743 62.300 -0.118 0.000 0.998 160 V CB 1.032 32.809 31.823 -0.077 0.000 1.042 160 V HN 0.406 nan 8.190 nan 0.000 0.433 161 G N 1.702 110.413 108.800 -0.147 0.000 2.645 161 G HA2 -0.139 3.822 3.960 0.000 0.000 0.239 161 G HA3 -0.139 3.822 3.960 0.000 0.000 0.239 161 G C -0.012 174.779 174.900 -0.182 0.000 1.331 161 G CA 0.335 45.302 45.100 -0.223 0.000 0.890 161 G HN 2.412 nan 8.290 nan 0.000 0.572 162 H N -0.529 118.526 119.070 -0.025 0.000 2.587 162 H HA 0.477 5.033 4.556 0.000 0.000 0.245 162 H C 0.356 175.815 175.328 0.219 0.000 1.238 162 H CA -0.301 55.765 56.048 0.031 0.000 0.963 162 H CB 0.017 29.811 29.762 0.053 0.000 1.904 162 H HN 0.441 nan 8.280 nan 0.000 0.584 163 K N 1.429 121.888 120.400 0.098 0.000 2.237 163 K HA 0.330 4.650 4.320 0.000 0.000 0.270 163 K C -0.853 175.859 176.600 0.187 0.000 1.015 163 K CA -0.665 55.672 56.287 0.083 0.000 0.949 163 K CB 1.398 33.813 32.500 -0.141 0.000 0.976 163 K HN 0.078 nan 8.250 nan 0.000 0.472 164 L N 1.742 123.088 121.223 0.204 0.000 2.410 164 L HA 0.576 4.916 4.340 0.000 0.000 0.270 164 L C -1.552 175.475 176.870 0.261 0.000 0.983 164 L CA -0.290 54.599 54.840 0.082 0.000 0.822 164 L CB 1.867 43.788 42.059 -0.230 0.000 1.285 164 L HN 0.739 nan 8.230 nan 0.000 0.409 165 A N 4.188 127.179 122.820 0.286 0.000 2.371 165 A HA 0.809 5.130 4.320 0.000 0.000 0.311 165 A C -1.752 175.870 177.584 0.062 0.000 1.068 165 A CA -0.404 51.728 52.037 0.158 0.000 0.744 165 A CB 1.034 20.077 19.000 0.071 0.000 1.239 165 A HN 0.777 nan 8.150 nan 0.000 0.435 166 Y N -0.459 119.792 120.300 -0.081 0.000 2.581 166 Y HA 0.770 5.320 4.550 0.000 0.000 0.345 166 Y C -1.090 174.812 175.900 0.002 0.000 1.036 166 Y CA -1.545 56.481 58.100 -0.123 0.000 1.042 166 Y CB 1.292 39.610 38.460 -0.236 0.000 1.289 166 Y HN 0.363 nan 8.280 nan 0.000 0.471 167 V N 2.366 122.366 119.914 0.142 0.000 2.417 167 V HA 0.332 4.452 4.120 0.000 0.000 0.291 167 V C -1.352 174.901 176.094 0.266 0.000 1.024 167 V CA -0.590 61.778 62.300 0.112 0.000 0.861 167 V CB 1.148 32.977 31.823 0.010 0.000 0.985 167 V HN 0.878 nan 8.190 nan 0.000 0.436 168 W N 5.058 126.375 121.300 0.029 0.000 3.042 168 W HA 0.466 5.126 4.660 0.000 0.000 0.337 168 W C 0.240 176.759 176.519 0.001 0.000 1.086 168 W CA -0.762 56.580 57.345 -0.005 0.000 1.236 168 W CB 1.221 30.625 29.460 -0.092 0.000 1.381 168 W HN 0.783 nan 8.180 nan 0.000 0.472 169 N N 5.647 123.958 118.700 -0.649 0.000 2.727 169 N HA -0.352 4.388 4.740 0.000 0.000 0.249 169 N C 0.194 175.531 175.510 -0.288 0.000 1.048 169 N CA 0.997 53.684 53.050 -0.605 0.000 0.714 169 N CB -1.081 36.849 38.487 -0.929 0.000 0.959 169 N HN 0.827 nan 8.380 nan 0.000 0.544 170 N N -2.013 116.581 118.700 -0.176 0.000 2.863 170 N HA -0.175 4.565 4.740 0.000 0.000 0.245 170 N C -1.224 174.225 175.510 -0.101 0.000 1.001 170 N CA 1.203 54.176 53.050 -0.128 0.000 0.901 170 N CB -0.344 38.022 38.487 -0.201 0.000 1.124 170 N HN 0.467 nan 8.380 nan 0.000 0.582 171 D N 0.524 120.881 120.400 -0.071 0.000 2.269 171 D HA 0.484 5.124 4.640 0.000 0.000 0.244 171 D C 0.242 176.485 176.300 -0.095 0.000 0.992 171 D CA -0.374 53.553 54.000 -0.121 0.000 0.894 171 D CB 1.668 42.377 40.800 -0.152 0.000 1.248 171 D HN 0.023 nan 8.370 nan 0.000 0.468 172 I N 1.408 121.772 120.570 -0.343 0.000 2.440 172 I HA 0.233 4.404 4.170 0.000 0.000 0.294 172 I C -0.626 175.181 176.117 -0.516 0.000 0.995 172 I CA -0.313 60.757 61.300 -0.383 0.000 1.306 172 I CB 0.615 38.258 38.000 -0.597 0.000 1.407 172 I HN 0.187 nan 8.210 nan 0.000 0.501 173 Y N 3.570 123.521 120.300 -0.581 0.000 2.492 173 Y HA 0.593 5.143 4.550 0.000 0.000 0.346 173 Y C -0.658 174.945 175.900 -0.496 0.000 0.997 173 Y CA -0.947 56.760 58.100 -0.656 0.000 1.025 173 Y CB 2.211 39.938 38.460 -1.222 0.000 1.263 173 Y HN 0.088 nan 8.280 nan 0.000 0.454 174 V N 3.259 123.120 119.914 -0.088 0.000 2.531 174 V HA 0.409 4.529 4.120 0.000 0.000 0.301 174 V C -0.730 175.497 176.094 0.222 0.000 1.034 174 V CA -1.318 61.030 62.300 0.080 0.000 0.865 174 V CB 1.816 33.694 31.823 0.092 0.000 0.995 174 V HN 0.612 nan 8.190 nan 0.000 0.424 175 K N 4.217 124.756 120.400 0.231 0.000 2.316 175 K HA 0.456 4.776 4.320 0.000 0.000 0.267 175 K C 0.498 177.230 176.600 0.220 0.000 1.025 175 K CA -0.699 55.716 56.287 0.214 0.000 0.896 175 K CB 1.475 34.059 32.500 0.141 0.000 1.124 175 K HN 0.459 nan 8.250 nan 0.000 0.451 176 I N 1.391 122.117 120.570 0.260 0.000 2.179 176 I HA -0.149 4.021 4.170 0.000 0.000 0.242 176 I C 0.709 176.920 176.117 0.156 0.000 1.088 176 I CA 1.663 63.082 61.300 0.199 0.000 1.357 176 I CB -0.314 37.817 38.000 0.218 0.000 1.051 176 I HN 0.569 nan 8.210 nan 0.000 0.409 177 E N -0.106 120.176 120.200 0.136 0.000 2.277 177 E HA 0.291 4.641 4.350 0.000 0.000 0.266 177 E C -1.950 174.634 176.600 -0.028 0.000 0.901 177 E CA -1.998 54.454 56.400 0.087 0.000 0.782 177 E CB 1.521 31.271 29.700 0.083 0.000 1.228 177 E HN -0.085 nan 8.360 nan 0.000 0.424 178 P HA -0.008 nan 4.420 nan 0.000 0.242 178 P C 0.460 177.654 177.300 -0.176 0.000 1.197 178 P CA 0.835 63.771 63.100 -0.273 0.000 0.765 178 P CB 0.136 31.429 31.700 -0.679 0.000 0.936 179 N N -2.016 116.617 118.700 -0.113 0.000 2.159 179 N HA 0.084 4.824 4.740 0.000 0.000 0.217 179 N C 0.185 175.671 175.510 -0.041 0.000 1.223 179 N CA -0.116 52.898 53.050 -0.061 0.000 0.896 179 N CB 0.396 38.868 38.487 -0.025 0.000 1.064 179 N HN 0.137 nan 8.380 nan 0.000 0.518 180 L N 1.248 122.453 121.223 -0.030 0.000 2.431 180 L HA 0.496 4.836 4.340 0.000 0.000 0.260 180 L C -2.268 174.558 176.870 -0.073 0.000 1.098 180 L CA -1.990 52.832 54.840 -0.029 0.000 0.800 180 L CB 0.783 42.853 42.059 0.017 0.000 1.210 180 L HN -0.215 nan 8.230 nan 0.000 0.465 181 P HA 0.067 nan 4.420 nan 0.000 0.271 181 P C -0.956 176.166 177.300 -0.297 0.000 1.216 181 P CA -0.112 62.872 63.100 -0.193 0.000 0.776 181 P CB 0.636 32.200 31.700 -0.226 0.000 0.881 182 S N 1.786 117.389 115.700 -0.161 0.000 2.576 182 S HA 0.228 4.698 4.470 0.000 0.000 0.276 182 S C -0.400 174.067 174.600 -0.222 0.000 1.339 182 S CA 0.008 58.169 58.200 -0.065 0.000 1.039 182 S CB -0.177 63.123 63.200 0.166 0.000 0.902 182 S HN 0.254 nan 8.310 nan 0.000 0.516 183 Y N 1.068 121.373 120.300 0.009 0.000 2.328 183 Y HA 0.403 4.953 4.550 0.000 0.000 0.337 183 Y C 0.656 176.410 175.900 -0.242 0.000 1.008 183 Y CA -0.764 57.300 58.100 -0.059 0.000 1.129 183 Y CB 0.763 39.204 38.460 -0.032 0.000 1.185 183 Y HN 0.513 nan 8.280 nan 0.000 0.476 184 R N 2.890 123.234 120.500 -0.260 0.000 2.267 184 R HA 0.241 4.581 4.340 0.000 0.000 0.319 184 R C -0.083 175.885 176.300 -0.553 0.000 1.067 184 R CA -0.069 55.544 56.100 -0.812 0.000 0.936 184 R CB 0.292 29.918 30.300 -1.124 0.000 1.006 184 R HN 0.783 nan 8.270 nan 0.000 0.452 185 I N 2.296 122.494 120.570 -0.621 0.000 2.385 185 I HA -0.054 4.116 4.170 0.000 0.000 0.244 185 I C 0.903 176.801 176.117 -0.364 0.000 1.089 185 I CA 1.215 62.285 61.300 -0.384 0.000 1.410 185 I CB -0.143 37.612 38.000 -0.408 0.000 1.117 185 I HN 0.703 nan 8.210 nan 0.000 0.429 186 T N -3.798 110.425 114.554 -0.552 0.000 2.932 186 T HA 0.330 4.680 4.350 0.000 0.000 0.289 186 T C -0.507 173.900 174.700 -0.488 0.000 1.039 186 T CA -0.519 61.362 62.100 -0.365 0.000 1.024 186 T CB 1.443 70.107 68.868 -0.339 0.000 1.090 186 T HN 0.204 nan 8.240 nan 0.000 0.496 187 W N -0.204 120.998 121.300 -0.163 0.000 2.304 187 W HA 0.226 4.886 4.660 0.000 0.000 0.326 187 W C 1.909 178.380 176.519 -0.080 0.000 0.920 187 W CA -0.182 57.097 57.345 -0.109 0.000 1.518 187 W CB 0.092 29.500 29.460 -0.086 0.000 1.112 187 W HN 0.926 nan 8.180 nan 0.000 0.528 188 T N -2.860 111.745 114.554 0.085 0.000 3.044 188 T HA 0.205 4.555 4.350 0.000 0.000 0.255 188 T C 1.504 176.209 174.700 0.007 0.000 1.073 188 T CA 0.488 62.620 62.100 0.053 0.000 1.125 188 T CB -0.545 68.350 68.868 0.045 0.000 0.908 188 T HN 0.018 nan 8.240 nan 0.000 0.480 189 G N 1.714 110.491 108.800 -0.038 0.000 2.093 189 G HA2 0.211 4.171 3.960 0.000 0.000 0.250 189 G HA3 0.211 4.171 3.960 0.000 0.000 0.250 189 G C -0.519 174.321 174.900 -0.099 0.000 1.056 189 G CA -0.091 44.959 45.100 -0.083 0.000 0.916 189 G HN 0.589 nan 8.290 nan 0.000 0.421 190 K N 2.167 122.490 120.400 -0.128 0.000 2.565 190 K HA 0.183 4.504 4.320 0.000 0.000 0.249 190 K C -0.017 176.465 176.600 -0.198 0.000 0.958 190 K CA -0.683 55.529 56.287 -0.125 0.000 0.806 190 K CB 1.675 34.137 32.500 -0.062 0.000 1.194 190 K HN 0.636 nan 8.250 nan 0.000 0.434 191 E N 2.663 122.752 120.200 -0.187 0.000 2.568 191 E HA -0.148 4.202 4.350 0.000 0.000 0.262 191 E C -0.487 176.025 176.600 -0.147 0.000 0.961 191 E CA 0.979 57.262 56.400 -0.194 0.000 0.945 191 E CB 0.312 29.936 29.700 -0.127 0.000 0.924 191 E HN 0.639 nan 8.360 nan 0.000 0.467 192 D N 2.015 122.322 120.400 -0.154 0.000 3.006 192 D HA -0.256 4.384 4.640 0.000 0.000 0.208 192 D C 0.675 177.036 176.300 0.102 0.000 1.116 192 D CA 1.606 55.642 54.000 0.060 0.000 0.998 192 D CB -0.814 40.044 40.800 0.096 0.000 1.124 192 D HN 0.492 nan 8.370 nan 0.000 0.413 193 I N -1.026 119.511 120.570 -0.055 0.000 3.650 193 I HA 0.065 4.236 4.170 0.000 0.000 0.261 193 I C 0.432 176.626 176.117 0.128 0.000 1.154 193 I CA 0.018 61.367 61.300 0.082 0.000 1.418 193 I CB 0.702 38.731 38.000 0.048 0.000 1.539 193 I HN -0.171 nan 8.210 nan 0.000 0.449 194 I N 1.388 121.934 120.570 -0.040 0.000 2.406 194 I HA 0.284 4.454 4.170 0.000 0.000 0.290 194 I C -1.415 174.680 176.117 -0.036 0.000 0.999 194 I CA -0.456 60.892 61.300 0.081 0.000 1.124 194 I CB 0.960 38.997 38.000 0.061 0.000 1.289 194 I HN 0.038 nan 8.210 nan 0.000 0.441 195 Y N 4.449 124.858 120.300 0.181 0.000 2.326 195 Y HA 0.394 4.944 4.550 0.000 0.000 0.331 195 Y C 0.302 176.305 175.900 0.172 0.000 0.962 195 Y CA -0.844 57.369 58.100 0.188 0.000 1.167 195 Y CB 1.171 39.809 38.460 0.297 0.000 1.148 195 Y HN 0.413 nan 8.280 nan 0.000 0.463 196 N N 2.328 121.125 118.700 0.162 0.000 2.444 196 N HA 0.328 5.068 4.740 0.000 0.000 0.262 196 N C 0.859 176.354 175.510 -0.026 0.000 0.974 196 N CA 0.425 53.506 53.050 0.052 0.000 0.933 196 N CB 1.806 40.214 38.487 -0.131 0.000 1.137 196 N HN 1.001 nan 8.380 nan 0.000 0.498 197 G N 1.664 110.489 108.800 0.041 0.000 2.189 197 G HA2 -0.264 3.696 3.960 0.000 0.000 0.267 197 G HA3 -0.264 3.696 3.960 0.000 0.000 0.267 197 G C 0.125 174.919 174.900 -0.176 0.000 0.975 197 G CA 0.814 45.859 45.100 -0.092 0.000 0.644 197 G HN 0.666 nan 8.290 nan 0.000 0.537 198 I N -2.046 118.487 120.570 -0.063 0.000 2.934 198 I HA 0.825 4.996 4.170 0.000 0.000 0.306 198 I C 0.389 176.504 176.117 -0.003 0.000 1.110 198 I CA -0.703 60.444 61.300 -0.256 0.000 1.019 198 I CB 1.997 39.652 38.000 -0.574 0.000 1.227 198 I HN 0.165 nan 8.210 nan 0.000 0.434 199 T N -0.581 113.887 114.554 -0.144 0.000 2.874 199 T HA 0.400 4.751 4.350 0.000 0.000 0.281 199 T C -0.270 174.185 174.700 -0.408 0.000 0.994 199 T CA -0.633 61.212 62.100 -0.426 0.000 1.015 199 T CB 1.327 70.096 68.868 -0.165 0.000 1.028 199 T HN 0.785 nan 8.240 nan 0.000 0.523 200 D N -0.229 119.714 120.400 -0.762 0.000 2.529 200 D HA 0.062 4.702 4.640 0.000 0.000 0.273 200 D C 0.954 177.186 176.300 -0.112 0.000 1.197 200 D CA -1.147 52.462 54.000 -0.653 0.000 1.070 200 D CB 0.213 40.537 40.800 -0.793 0.000 1.134 200 D HN 0.700 nan 8.370 nan 0.000 0.590 201 W N 0.270 121.514 121.300 -0.095 0.000 2.302 201 W HA -0.258 4.402 4.660 0.000 0.000 0.320 201 W C 2.093 178.510 176.519 -0.170 0.000 1.241 201 W CA 2.571 59.844 57.345 -0.119 0.000 1.264 201 W CB -0.382 28.950 29.460 -0.214 0.000 1.154 201 W HN 0.204 nan 8.180 nan 0.000 0.483 202 V N -0.515 119.484 119.914 0.141 0.000 2.488 202 V HA -0.248 3.872 4.120 0.000 0.000 0.246 202 V C 1.819 177.768 176.094 -0.242 0.000 1.046 202 V CA 1.830 64.123 62.300 -0.012 0.000 1.053 202 V CB -0.694 31.110 31.823 -0.031 0.000 0.679 202 V HN 0.273 nan 8.190 nan 0.000 0.458 203 Y N 0.681 120.842 120.300 -0.231 0.000 2.242 203 Y HA -0.186 4.364 4.550 0.000 0.000 0.291 203 Y C 2.588 178.402 175.900 -0.144 0.000 1.137 203 Y CA 2.155 60.127 58.100 -0.213 0.000 1.181 203 Y CB -0.073 38.185 38.460 -0.336 0.000 0.989 203 Y HN 0.353 nan 8.280 nan 0.000 0.527 204 E N 0.188 120.357 120.200 -0.053 0.000 2.051 204 E HA -0.285 4.066 4.350 0.000 0.000 0.192 204 E C 1.973 178.508 176.600 -0.109 0.000 0.991 204 E CA 1.569 57.946 56.400 -0.040 0.000 0.799 204 E CB 0.039 29.711 29.700 -0.047 0.000 0.748 204 E HN 0.377 nan 8.360 nan 0.000 0.449 205 E N 0.009 119.967 120.200 -0.404 0.000 2.086 205 E HA -0.115 4.235 4.350 0.000 0.000 0.190 205 E C 1.576 178.050 176.600 -0.210 0.000 0.975 205 E CA 1.248 57.401 56.400 -0.412 0.000 0.813 205 E CB 0.254 29.385 29.700 -0.948 0.000 0.768 205 E HN 0.173 nan 8.360 nan 0.000 0.457 206 E N -0.896 119.164 120.200 -0.233 0.000 2.413 206 E HA 0.113 4.463 4.350 0.000 0.000 0.203 206 E C 1.702 178.167 176.600 -0.225 0.000 0.957 206 E CA 0.297 56.599 56.400 -0.163 0.000 0.950 206 E CB 0.916 30.527 29.700 -0.149 0.000 0.957 206 E HN 0.158 nan 8.360 nan 0.000 0.497 207 V N -0.173 119.553 119.914 -0.313 0.000 2.635 207 V HA 0.032 4.152 4.120 0.000 0.000 0.233 207 V C 1.529 177.401 176.094 -0.369 0.000 1.097 207 V CA 0.842 62.867 62.300 -0.459 0.000 1.134 207 V CB -0.322 31.059 31.823 -0.736 0.000 0.841 207 V HN 0.022 nan 8.190 nan 0.000 0.496 208 F N 0.713 120.683 119.950 0.033 0.000 2.754 208 F HA 0.240 4.768 4.527 0.000 0.000 0.297 208 F C 1.611 177.375 175.800 -0.059 0.000 1.122 208 F CA 0.308 58.338 58.000 0.050 0.000 1.400 208 F CB -0.441 38.634 39.000 0.124 0.000 1.117 208 F HN 0.092 nan 8.300 nan 0.000 0.587 209 S N 0.349 116.058 115.700 0.015 0.000 3.521 209 S HA -0.011 4.459 4.470 0.000 0.000 0.362 209 S C 0.106 174.299 174.600 -0.680 0.000 1.044 209 S CA 0.416 58.490 58.200 -0.210 0.000 1.091 209 S CB -1.779 61.370 63.200 -0.085 0.000 0.908 209 S HN 0.654 nan 8.310 nan 0.000 0.473 210 A N -0.834 121.788 122.820 -0.329 0.000 2.601 210 A HA 0.697 5.017 4.320 0.000 0.000 0.291 210 A C -0.276 177.276 177.584 -0.052 0.000 1.075 210 A CA -0.456 51.411 52.037 -0.283 0.000 0.671 210 A CB 0.334 19.192 19.000 -0.236 0.000 1.277 210 A HN 0.291 nan 8.150 nan 0.000 0.417 211 Y N 1.294 121.434 120.300 -0.267 0.000 2.269 211 Y HA 0.035 4.585 4.550 0.000 0.000 0.294 211 Y C 1.754 177.390 175.900 -0.440 0.000 1.120 211 Y CA 1.042 58.990 58.100 -0.253 0.000 1.159 211 Y CB 0.216 38.560 38.460 -0.195 0.000 1.024 211 Y HN 0.815 nan 8.280 nan 0.000 0.532 212 S N 0.807 116.016 115.700 -0.818 0.000 2.564 212 S HA 0.404 4.875 4.470 0.000 0.000 0.278 212 S C -0.021 174.077 174.600 -0.837 0.000 1.333 212 S CA -0.194 57.353 58.200 -1.088 0.000 1.048 212 S CB 1.542 63.675 63.200 -1.778 0.000 0.900 212 S HN 0.366 nan 8.310 nan 0.000 0.505 213 A N 3.898 126.262 122.820 -0.760 0.000 3.105 213 A HA 0.591 4.911 4.320 0.000 0.000 0.297 213 A C -0.424 176.521 177.584 -1.065 0.000 0.977 213 A CA -0.637 50.854 52.037 -0.910 0.000 1.020 213 A CB -0.209 18.725 19.000 -0.110 0.000 1.098 213 A HN 0.821 nan 8.150 nan 0.000 0.497 214 L N 0.721 121.169 121.223 -1.292 0.000 2.409 214 L HA 0.576 4.917 4.340 0.000 0.000 0.272 214 L C -1.257 175.156 176.870 -0.761 0.000 0.980 214 L CA -0.478 53.934 54.840 -0.714 0.000 0.826 214 L CB 1.893 43.749 42.059 -0.337 0.000 1.268 214 L HN 0.500 nan 8.230 nan 0.000 0.407 215 W N 2.681 124.038 121.300 0.094 0.000 2.587 215 W HA 0.245 4.905 4.660 0.000 0.000 0.324 215 W C -1.034 175.734 176.519 0.414 0.000 1.008 215 W CA -1.075 56.452 57.345 0.302 0.000 1.265 215 W CB 1.443 31.122 29.460 0.365 0.000 1.328 215 W HN 0.462 nan 8.180 nan 0.000 0.432 216 W N 2.108 123.656 121.300 0.414 0.000 2.184 216 W HA 0.242 4.902 4.660 0.000 0.000 0.338 216 W C 1.234 177.572 176.519 -0.301 0.000 1.257 216 W CA 0.251 57.691 57.345 0.158 0.000 1.243 216 W CB 0.746 30.252 29.460 0.077 0.000 1.122 216 W HN 0.192 nan 8.180 nan 0.000 0.585 217 S N 2.150 117.563 115.700 -0.479 0.000 2.576 217 S HA 0.146 4.616 4.470 0.000 0.000 0.276 217 S C -1.776 172.534 174.600 -0.483 0.000 1.339 217 S CA -1.018 56.339 58.200 -1.405 0.000 1.039 217 S CB 1.177 63.733 63.200 -1.072 0.000 0.902 217 S HN 0.272 nan 8.310 nan 0.000 0.516 218 P HA -0.187 nan 4.420 nan 0.000 0.217 218 P C 0.954 178.208 177.300 -0.077 0.000 1.148 218 P CA 1.553 64.602 63.100 -0.086 0.000 0.834 218 P CB -0.193 31.509 31.700 0.004 0.000 0.783 219 N N -1.762 116.872 118.700 -0.111 0.000 2.336 219 N HA 0.080 4.820 4.740 0.000 0.000 0.189 219 N C 1.044 176.475 175.510 -0.132 0.000 1.113 219 N CA 0.804 53.792 53.050 -0.103 0.000 0.858 219 N CB -1.011 37.421 38.487 -0.091 0.000 0.970 219 N HN 0.135 nan 8.380 nan 0.000 0.471 220 G N -0.724 108.011 108.800 -0.109 0.000 2.225 220 G HA2 -0.272 3.688 3.960 0.000 0.000 0.264 220 G HA3 -0.272 3.688 3.960 0.000 0.000 0.264 220 G C 0.516 175.445 174.900 0.048 0.000 1.060 220 G CA 0.759 45.830 45.100 -0.048 0.000 0.833 220 G HN 0.396 nan 8.290 nan 0.000 0.498 221 T N -0.706 113.802 114.554 -0.076 0.000 3.033 221 T HA 0.359 4.709 4.350 0.000 0.000 0.248 221 T C 0.514 175.061 174.700 -0.256 0.000 1.040 221 T CA 0.741 62.679 62.100 -0.269 0.000 1.133 221 T CB 0.137 68.656 68.868 -0.581 0.000 0.895 221 T HN 0.253 nan 8.240 nan 0.000 0.465 222 F N 1.216 121.229 119.950 0.106 0.000 2.443 222 F HA 0.620 5.147 4.527 0.000 0.000 0.335 222 F C -0.366 175.525 175.800 0.153 0.000 1.104 222 F CA -1.925 56.179 58.000 0.174 0.000 1.013 222 F CB 1.184 40.390 39.000 0.342 0.000 1.136 222 F HN -0.114 nan 8.300 nan 0.000 0.470 223 L N 3.697 125.068 121.223 0.248 0.000 2.301 223 L HA 0.727 5.068 4.340 0.000 0.000 0.278 223 L C -0.190 176.783 176.870 0.173 0.000 1.022 223 L CA -0.525 54.281 54.840 -0.057 0.000 0.854 223 L CB 0.213 41.964 42.059 -0.513 0.000 1.226 223 L HN 0.675 nan 8.230 nan 0.000 0.429 224 A N 5.054 128.069 122.820 0.325 0.000 2.354 224 A HA 0.623 4.943 4.320 0.000 0.000 0.269 224 A C -1.159 176.521 177.584 0.160 0.000 1.109 224 A CA -0.119 51.985 52.037 0.111 0.000 0.800 224 A CB 0.166 19.305 19.000 0.231 0.000 1.045 224 A HN 0.818 nan 8.150 nan 0.000 0.489 225 Y N -1.221 118.906 120.300 -0.289 0.000 2.581 225 Y HA 0.724 5.274 4.550 0.000 0.000 0.337 225 Y C -0.305 175.480 175.900 -0.193 0.000 1.108 225 Y CA -0.850 57.177 58.100 -0.121 0.000 1.033 225 Y CB 0.745 39.100 38.460 -0.175 0.000 1.318 225 Y HN 0.905 nan 8.280 nan 0.000 0.459 226 A N 2.705 125.635 122.820 0.184 0.000 2.281 226 A HA 0.722 5.042 4.320 0.000 0.000 0.329 226 A C -1.053 176.481 177.584 -0.083 0.000 1.122 226 A CA -0.783 51.237 52.037 -0.029 0.000 0.850 226 A CB 1.663 20.654 19.000 -0.014 0.000 1.207 226 A HN 0.816 nan 8.150 nan 0.000 0.495 227 Q N 0.546 120.129 119.800 -0.361 0.000 2.289 227 Q HA 0.575 4.915 4.340 0.000 0.000 0.270 227 Q C -2.212 173.527 176.000 -0.435 0.000 1.038 227 Q CA -0.303 55.398 55.803 -0.169 0.000 0.812 227 Q CB 1.401 30.269 28.738 0.216 0.000 1.300 227 Q HN 0.616 nan 8.270 nan 0.000 0.427 228 F N 2.057 122.118 119.950 0.185 0.000 2.520 228 F HA 0.440 4.968 4.527 0.000 0.000 0.322 228 F C 0.349 176.307 175.800 0.263 0.000 1.103 228 F CA -0.950 57.137 58.000 0.146 0.000 0.926 228 F CB 1.545 40.540 39.000 -0.008 0.000 1.154 228 F HN 0.383 nan 8.300 nan 0.000 0.453 229 N N 1.853 120.774 118.700 0.369 0.000 2.518 229 N HA 0.214 4.954 4.740 0.000 0.000 0.254 229 N C -0.680 175.003 175.510 0.288 0.000 0.979 229 N CA -0.305 52.924 53.050 0.299 0.000 0.930 229 N CB 0.888 39.495 38.487 0.198 0.000 1.152 229 N HN 0.525 nan 8.380 nan 0.000 0.505 230 D N 1.549 122.146 120.400 0.328 0.000 2.342 230 D HA 0.095 4.735 4.640 0.000 0.000 0.221 230 D C 1.120 177.538 176.300 0.197 0.000 1.101 230 D CA 0.243 54.411 54.000 0.280 0.000 0.837 230 D CB 0.414 41.443 40.800 0.380 0.000 0.938 230 D HN 0.494 nan 8.370 nan 0.000 0.508 231 T N 0.254 114.906 114.554 0.163 0.000 2.665 231 T HA -0.186 4.164 4.350 0.000 0.000 0.268 231 T C 1.480 176.238 174.700 0.096 0.000 1.035 231 T CA 1.219 63.388 62.100 0.115 0.000 1.151 231 T CB -0.008 68.917 68.868 0.095 0.000 0.862 231 T HN 0.295 nan 8.240 nan 0.000 0.438 232 E N 0.453 120.710 120.200 0.095 0.000 2.474 232 E HA 0.145 4.495 4.350 0.000 0.000 0.195 232 E C -0.338 176.310 176.600 0.080 0.000 1.039 232 E CA -0.234 56.211 56.400 0.076 0.000 0.881 232 E CB 0.451 30.189 29.700 0.063 0.000 0.970 232 E HN 0.237 nan 8.360 nan 0.000 0.486 233 V N 3.662 123.637 119.914 0.101 0.000 2.508 233 V HA 0.099 4.219 4.120 0.000 0.000 0.281 233 V C -2.064 174.085 176.094 0.092 0.000 1.041 233 V CA -1.537 60.825 62.300 0.104 0.000 1.016 233 V CB 0.224 32.126 31.823 0.131 0.000 0.984 233 V HN 0.028 nan 8.190 nan 0.000 0.478 234 P HA 0.291 nan 4.420 nan 0.000 0.271 234 P C -0.658 176.679 177.300 0.062 0.000 1.218 234 P CA -0.290 62.847 63.100 0.062 0.000 0.780 234 P CB 0.488 32.222 31.700 0.058 0.000 0.901 235 L N 2.470 123.710 121.223 0.028 0.000 2.312 235 L HA 0.433 4.773 4.340 0.000 0.000 0.281 235 L C 0.599 177.428 176.870 -0.069 0.000 1.070 235 L CA -0.985 53.854 54.840 -0.001 0.000 0.805 235 L CB 0.545 42.597 42.059 -0.012 0.000 1.174 235 L HN 0.294 nan 8.230 nan 0.000 0.434 236 I N 2.126 122.608 120.570 -0.148 0.000 2.428 236 I HA 0.200 4.370 4.170 0.000 0.000 0.289 236 I C -0.256 175.715 176.117 -0.243 0.000 1.019 236 I CA 0.375 61.492 61.300 -0.305 0.000 1.351 236 I CB 0.728 38.277 38.000 -0.752 0.000 1.412 236 I HN 0.584 nan 8.210 nan 0.000 0.513 237 E N 7.224 127.303 120.200 -0.201 0.000 2.210 237 E HA 0.483 4.833 4.350 0.000 0.000 0.266 237 E C -1.784 174.753 176.600 -0.105 0.000 0.883 237 E CA -0.597 55.687 56.400 -0.194 0.000 0.761 237 E CB 1.927 31.544 29.700 -0.138 0.000 1.156 237 E HN 0.562 nan 8.360 nan 0.000 0.412 238 Y N -1.513 118.708 120.300 -0.132 0.000 2.571 238 Y HA 0.522 5.073 4.550 0.000 0.000 0.341 238 Y C -0.624 175.207 175.900 -0.114 0.000 1.076 238 Y CA -1.310 56.717 58.100 -0.122 0.000 1.029 238 Y CB 0.730 39.126 38.460 -0.107 0.000 1.308 238 Y HN 0.196 nan 8.280 nan 0.000 0.461 239 S N 2.311 118.009 115.700 -0.004 0.000 2.576 239 S HA 0.398 4.868 4.470 0.000 0.000 0.276 239 S C -1.255 173.217 174.600 -0.212 0.000 1.339 239 S CA -0.241 57.810 58.200 -0.249 0.000 1.039 239 S CB 0.233 63.110 63.200 -0.539 0.000 0.902 239 S HN 0.568 nan 8.310 nan 0.000 0.516 240 F N 2.131 121.820 119.950 -0.436 0.000 2.539 240 F HA 0.415 4.943 4.527 0.000 0.000 0.328 240 F C -0.236 175.345 175.800 -0.364 0.000 1.148 240 F CA -0.846 56.987 58.000 -0.277 0.000 0.940 240 F CB 0.802 39.777 39.000 -0.041 0.000 1.194 240 F HN 0.650 nan 8.300 nan 0.000 0.438 241 Y N 2.839 122.950 120.300 -0.316 0.000 2.365 241 Y HA 0.106 4.656 4.550 0.000 0.000 0.293 241 Y C 1.695 177.514 175.900 -0.135 0.000 1.119 241 Y CA 1.134 59.127 58.100 -0.178 0.000 1.203 241 Y CB -0.506 37.844 38.460 -0.183 0.000 1.026 241 Y HN 0.733 nan 8.280 nan 0.000 0.549 242 S N -0.111 115.465 115.700 -0.208 0.000 3.633 242 S HA -0.301 4.169 4.470 0.000 0.000 0.637 242 S C -0.265 174.364 174.600 0.048 0.000 2.289 242 S CA 0.070 58.293 58.200 0.037 0.000 2.476 242 S CB -1.414 61.939 63.200 0.254 0.000 0.330 242 S HN 0.591 nan 8.310 nan 0.000 1.787 243 D N 1.049 121.504 120.400 0.091 0.000 2.449 243 D HA 0.185 4.825 4.640 0.000 0.000 0.236 243 D C 1.444 177.774 176.300 0.050 0.000 1.149 243 D CA 1.054 55.093 54.000 0.064 0.000 0.878 243 D CB 0.438 41.280 40.800 0.070 0.000 1.198 243 D HN 0.551 nan 8.370 nan 0.000 0.446 244 E N 1.209 121.428 120.200 0.031 0.000 2.279 244 E HA -0.320 4.030 4.350 0.000 0.000 0.205 244 E C 1.411 178.025 176.600 0.024 0.000 1.028 244 E CA 1.560 57.971 56.400 0.018 0.000 0.830 244 E CB 0.009 29.715 29.700 0.009 0.000 0.736 244 E HN 0.561 nan 8.360 nan 0.000 0.478 245 S N -0.255 115.466 115.700 0.035 0.000 2.489 245 S HA -0.025 4.445 4.470 0.000 0.000 0.228 245 S C 1.067 175.697 174.600 0.050 0.000 0.995 245 S CA -0.117 58.105 58.200 0.037 0.000 0.934 245 S CB -0.030 63.193 63.200 0.038 0.000 0.771 245 S HN 0.222 nan 8.310 nan 0.000 0.522 246 L N 2.447 123.709 121.223 0.065 0.000 2.433 246 L HA 0.154 4.494 4.340 0.000 0.000 0.275 246 L C 1.540 178.456 176.870 0.076 0.000 1.128 246 L CA 0.058 54.950 54.840 0.086 0.000 0.875 246 L CB 1.002 43.126 42.059 0.109 0.000 1.171 246 L HN 0.453 nan 8.230 nan 0.000 0.463 247 Q N 4.079 123.934 119.800 0.092 0.000 2.096 247 Q HA -0.067 4.273 4.340 0.000 0.000 0.197 247 Q C -0.527 175.434 176.000 -0.064 0.000 0.964 247 Q CA 1.163 56.980 55.803 0.023 0.000 0.838 247 Q CB 0.234 29.017 28.738 0.075 0.000 0.906 247 Q HN 0.599 nan 8.270 nan 0.000 0.444 248 Y N 1.016 121.333 120.300 0.029 0.000 2.331 248 Y HA 0.365 4.916 4.550 0.000 0.000 0.338 248 Y C -2.007 173.913 175.900 0.033 0.000 0.992 248 Y CA -2.906 55.211 58.100 0.027 0.000 1.121 248 Y CB 1.246 39.714 38.460 0.013 0.000 1.184 248 Y HN 0.185 nan 8.280 nan 0.000 0.469 249 P HA 0.047 nan 4.420 nan 0.000 0.269 249 P C -1.009 176.322 177.300 0.052 0.000 1.215 249 P CA -0.537 62.610 63.100 0.078 0.000 0.780 249 P CB 0.642 32.353 31.700 0.019 0.000 0.898 250 K N 0.004 120.422 120.400 0.029 0.000 2.118 250 K HA 0.546 4.866 4.320 0.000 0.000 0.254 250 K C -0.890 175.682 176.600 -0.046 0.000 0.961 250 K CA -0.528 55.768 56.287 0.014 0.000 0.876 250 K CB 0.705 33.229 32.500 0.040 0.000 1.077 250 K HN 0.213 nan 8.250 nan 0.000 0.440 251 T N 2.425 116.933 114.554 -0.076 0.000 2.743 251 T HA 0.239 4.589 4.350 0.000 0.000 0.292 251 T C -0.466 174.117 174.700 -0.196 0.000 0.972 251 T CA -0.775 61.243 62.100 -0.136 0.000 0.967 251 T CB 0.930 69.731 68.868 -0.112 0.000 0.926 251 T HN 0.391 nan 8.240 nan 0.000 0.459 252 V N 5.207 124.914 119.914 -0.346 0.000 2.530 252 V HA 0.352 4.472 4.120 0.000 0.000 0.282 252 V C 0.529 176.363 176.094 -0.433 0.000 1.048 252 V CA -0.431 61.604 62.300 -0.442 0.000 0.997 252 V CB 0.591 31.970 31.823 -0.740 0.000 0.987 252 V HN 0.718 nan 8.190 nan 0.000 0.477 253 R N 3.460 123.827 120.500 -0.222 0.000 2.388 253 R HA 0.638 4.978 4.340 0.000 0.000 0.314 253 R C -1.461 174.823 176.300 -0.027 0.000 0.959 253 R CA -0.473 55.544 56.100 -0.139 0.000 0.851 253 R CB 1.931 32.181 30.300 -0.083 0.000 1.168 253 R HN 0.560 nan 8.270 nan 0.000 0.472 254 V N 4.130 124.027 119.914 -0.028 0.000 2.409 254 V HA 0.371 4.491 4.120 0.000 0.000 0.291 254 V C -2.110 174.029 176.094 0.076 0.000 1.020 254 V CA -2.466 59.885 62.300 0.086 0.000 0.848 254 V CB 1.630 33.464 31.823 0.018 0.000 0.990 254 V HN 0.632 nan 8.190 nan 0.000 0.430 255 P HA 0.159 nan 4.420 nan 0.000 0.270 255 P C -1.245 176.149 177.300 0.158 0.000 1.242 255 P CA 0.263 63.459 63.100 0.160 0.000 0.768 255 P CB 0.032 31.862 31.700 0.218 0.000 0.820 256 Y N 6.293 126.562 120.300 -0.052 0.000 2.332 256 Y HA 0.378 4.928 4.550 0.000 0.000 0.325 256 Y C -2.588 173.276 175.900 -0.061 0.000 1.054 256 Y CA -2.624 55.388 58.100 -0.146 0.000 1.119 256 Y CB 2.423 40.690 38.460 -0.321 0.000 1.168 256 Y HN 0.251 nan 8.280 nan 0.000 0.439 257 P HA 0.250 nan 4.420 nan 0.000 0.291 257 P C -1.150 176.187 177.300 0.062 0.000 1.340 257 P CA -0.245 62.880 63.100 0.041 0.000 0.799 257 P CB 1.285 32.995 31.700 0.016 0.000 0.917 258 K N 1.969 122.498 120.400 0.214 0.000 2.102 258 K HA 0.499 4.819 4.320 0.000 0.000 0.244 258 K C 0.547 177.249 176.600 0.169 0.000 1.021 258 K CA -0.723 55.710 56.287 0.244 0.000 0.913 258 K CB 0.558 33.222 32.500 0.274 0.000 1.062 258 K HN 0.429 nan 8.250 nan 0.000 0.485 259 A N 1.042 123.991 122.820 0.214 0.000 2.553 259 A HA 0.274 4.594 4.320 0.000 0.000 0.258 259 A C 1.170 178.803 177.584 0.082 0.000 1.069 259 A CA 1.097 53.249 52.037 0.193 0.000 0.767 259 A CB -1.361 17.845 19.000 0.343 0.000 0.997 259 A HN 0.902 nan 8.150 nan 0.000 0.512 260 G N 1.328 110.161 108.800 0.055 0.000 2.279 260 G HA2 0.127 4.087 3.960 0.000 0.000 0.223 260 G HA3 0.127 4.087 3.960 0.000 0.000 0.223 260 G C 0.814 175.733 174.900 0.032 0.000 1.015 260 G CA 0.512 45.618 45.100 0.010 0.000 0.621 260 G HN 2.172 nan 8.290 nan 0.000 0.506 261 A N 0.068 122.923 122.820 0.059 0.000 2.364 261 A HA 0.590 4.910 4.320 0.000 0.000 0.258 261 A C 0.902 178.519 177.584 0.055 0.000 1.131 261 A CA 0.702 52.776 52.037 0.062 0.000 0.800 261 A CB 0.287 19.340 19.000 0.088 0.000 1.086 261 A HN 1.205 nan 8.150 nan 0.000 0.508 262 V N 2.582 122.530 119.914 0.056 0.000 2.439 262 V HA 0.051 4.172 4.120 0.000 0.000 0.271 262 V C 0.456 176.591 176.094 0.069 0.000 1.040 262 V CA -0.307 62.025 62.300 0.053 0.000 1.002 262 V CB -0.158 31.696 31.823 0.051 0.000 1.000 262 V HN 0.803 nan 8.190 nan 0.000 0.477 263 N N 6.353 125.092 118.700 0.064 0.000 2.381 263 N HA 0.360 5.100 4.740 0.000 0.000 0.254 263 N C -2.423 173.162 175.510 0.124 0.000 1.264 263 N CA -1.338 51.769 53.050 0.096 0.000 0.942 263 N CB 0.506 39.040 38.487 0.079 0.000 1.190 263 N HN 0.365 nan 8.380 nan 0.000 0.495 264 P HA 0.186 nan 4.420 nan 0.000 0.277 264 P C -0.526 176.918 177.300 0.241 0.000 1.240 264 P CA -0.379 62.871 63.100 0.249 0.000 0.798 264 P CB 0.444 32.352 31.700 0.347 0.000 0.979 265 T N -1.349 113.322 114.554 0.195 0.000 2.927 265 T HA 0.622 4.972 4.350 0.000 0.000 0.281 265 T C -0.360 174.440 174.700 0.166 0.000 0.998 265 T CA -0.802 61.368 62.100 0.117 0.000 1.019 265 T CB 1.226 70.134 68.868 0.068 0.000 1.061 265 T HN 0.278 nan 8.240 nan 0.000 0.518 266 V N 0.839 120.814 119.914 0.103 0.000 2.808 266 V HA 0.662 4.782 4.120 0.000 0.000 0.308 266 V C -1.452 174.684 176.094 0.069 0.000 1.099 266 V CA -0.844 61.487 62.300 0.052 0.000 0.920 266 V CB 2.013 33.898 31.823 0.104 0.000 1.014 266 V HN 1.040 nan 8.190 nan 0.000 0.425 267 K N 5.109 125.493 120.400 -0.027 0.000 2.328 267 K HA 0.590 4.911 4.320 0.000 0.000 0.246 267 K C -1.753 174.752 176.600 -0.158 0.000 0.955 267 K CA -0.531 55.707 56.287 -0.082 0.000 0.817 267 K CB 2.864 35.307 32.500 -0.095 0.000 1.208 267 K HN 0.562 nan 8.250 nan 0.000 0.432 268 F N 2.376 122.036 119.950 -0.482 0.000 2.507 268 F HA 0.530 5.057 4.527 0.000 0.000 0.325 268 F C -1.418 173.873 175.800 -0.849 0.000 1.116 268 F CA -0.666 57.037 58.000 -0.494 0.000 0.930 268 F CB 0.810 39.665 39.000 -0.243 0.000 1.146 268 F HN 0.388 nan 8.300 nan 0.000 0.447 269 F N 4.104 123.341 119.950 -1.189 0.000 2.611 269 F HA 0.811 5.338 4.527 0.000 0.000 0.324 269 F C -0.831 174.314 175.800 -1.092 0.000 1.061 269 F CA -1.092 56.328 58.000 -0.967 0.000 0.954 269 F CB 2.034 40.424 39.000 -1.016 0.000 1.301 269 F HN 0.166 nan 8.300 nan 0.000 0.482 270 V N 1.427 121.141 119.914 -0.333 0.000 3.078 270 V HA 0.790 4.910 4.120 0.000 0.000 0.311 270 V C -1.325 174.884 176.094 0.192 0.000 1.138 270 V CA -0.951 61.247 62.300 -0.169 0.000 1.007 270 V CB 2.268 33.809 31.823 -0.470 0.000 1.045 270 V HN 0.614 nan 8.190 nan 0.000 0.432 271 V N 2.020 122.132 119.914 0.330 0.000 2.851 271 V HA 0.545 4.665 4.120 0.000 0.000 0.307 271 V C -0.985 175.408 176.094 0.499 0.000 1.129 271 V CA -0.607 61.920 62.300 0.379 0.000 0.932 271 V CB 2.228 34.196 31.823 0.243 0.000 1.024 271 V HN 1.025 nan 8.190 nan 0.000 0.426 272 N N 3.561 122.556 118.700 0.491 0.000 2.406 272 N HA 0.154 4.894 4.740 0.000 0.000 0.265 272 N C 1.190 176.761 175.510 0.100 0.000 1.203 272 N CA 0.816 54.044 53.050 0.297 0.000 0.945 272 N CB 1.473 40.097 38.487 0.227 0.000 1.165 272 N HN 0.876 nan 8.380 nan 0.000 0.485 273 T N -0.176 114.411 114.554 0.055 0.000 2.985 273 T HA -0.025 4.325 4.350 0.000 0.000 0.266 273 T C 1.042 175.725 174.700 -0.029 0.000 1.076 273 T CA 0.594 62.718 62.100 0.040 0.000 1.135 273 T CB -0.020 68.954 68.868 0.177 0.000 0.890 273 T HN 0.276 nan 8.240 nan 0.000 0.480 274 D N 2.617 122.980 120.400 -0.062 0.000 2.144 274 D HA -0.030 4.610 4.640 0.000 0.000 0.199 274 D C 1.161 177.409 176.300 -0.087 0.000 0.984 274 D CA 1.327 55.280 54.000 -0.078 0.000 0.834 274 D CB -0.218 40.520 40.800 -0.103 0.000 0.955 274 D HN 0.635 nan 8.370 nan 0.000 0.465 275 S N 0.664 116.318 115.700 -0.077 0.000 2.695 275 S HA 0.465 4.935 4.470 0.000 0.000 0.275 275 S C -0.570 173.965 174.600 -0.108 0.000 1.203 275 S CA -0.833 57.325 58.200 -0.070 0.000 1.061 275 S CB 0.375 63.563 63.200 -0.020 0.000 1.152 275 S HN -0.119 nan 8.310 nan 0.000 0.495 276 L N 2.653 123.737 121.223 -0.232 0.000 2.349 276 L HA 0.582 4.922 4.340 0.000 0.000 0.278 276 L C 0.141 176.823 176.870 -0.315 0.000 0.996 276 L CA -0.196 54.420 54.840 -0.372 0.000 0.825 276 L CB 1.737 43.299 42.059 -0.827 0.000 1.243 276 L HN 0.731 nan 8.230 nan 0.000 0.412 277 S N 0.702 116.352 115.700 -0.084 0.000 2.508 277 S HA 0.342 4.812 4.470 0.000 0.000 0.284 277 S C 0.899 175.634 174.600 0.226 0.000 1.192 277 S CA -0.227 58.010 58.200 0.061 0.000 1.070 277 S CB 0.821 64.056 63.200 0.058 0.000 1.004 277 S HN 0.660 nan 8.310 nan 0.000 0.493 278 S N 3.546 119.446 115.700 0.334 0.000 2.743 278 S HA 0.169 4.639 4.470 0.000 0.000 0.230 278 S C 0.643 175.340 174.600 0.160 0.000 0.950 278 S CA -0.305 58.077 58.200 0.303 0.000 0.976 278 S CB 0.067 63.401 63.200 0.223 0.000 0.779 278 S HN 0.529 nan 8.310 nan 0.000 0.487 279 V N -0.495 119.500 119.914 0.135 0.000 3.480 279 V HA 0.295 4.415 4.120 0.000 0.000 0.263 279 V C 0.793 176.932 176.094 0.075 0.000 1.442 279 V CA 0.637 62.989 62.300 0.088 0.000 1.053 279 V CB 1.011 32.874 31.823 0.067 0.000 0.846 279 V HN 0.550 nan 8.190 nan 0.000 0.440 280 T N 0.159 114.765 114.554 0.087 0.000 2.924 280 T HA 0.420 4.770 4.350 0.000 0.000 0.291 280 T C -0.658 174.098 174.700 0.094 0.000 1.045 280 T CA -0.428 61.711 62.100 0.066 0.000 1.015 280 T CB 1.467 70.364 68.868 0.048 0.000 1.103 280 T HN 0.113 nan 8.240 nan 0.000 0.496 281 N N 2.102 120.843 118.700 0.068 0.000 2.430 281 N HA 0.452 5.193 4.740 0.000 0.000 0.265 281 N C -0.227 175.344 175.510 0.103 0.000 1.100 281 N CA -0.174 52.941 53.050 0.108 0.000 0.961 281 N CB 1.027 39.524 38.487 0.016 0.000 1.075 281 N HN 0.783 nan 8.380 nan 0.000 0.478 282 A N 2.397 125.294 122.820 0.128 0.000 2.566 282 A HA 0.146 4.466 4.320 0.000 0.000 0.245 282 A C 0.469 178.105 177.584 0.087 0.000 1.056 282 A CA 0.018 52.105 52.037 0.084 0.000 0.757 282 A CB -0.509 18.523 19.000 0.053 0.000 0.979 282 A HN 0.627 nan 8.150 nan 0.000 0.508 283 T N 1.178 115.783 114.554 0.087 0.000 2.767 283 T HA 0.564 4.914 4.350 0.000 0.000 0.288 283 T C -0.031 174.748 174.700 0.132 0.000 0.963 283 T CA -0.530 61.627 62.100 0.096 0.000 1.019 283 T CB 0.965 69.888 68.868 0.092 0.000 0.923 283 T HN 0.419 nan 8.240 nan 0.000 0.468 284 S N 3.937 119.711 115.700 0.124 0.000 2.438 284 S HA 0.414 4.885 4.470 0.000 0.000 0.316 284 S C 0.254 175.017 174.600 0.272 0.000 1.084 284 S CA -0.917 57.392 58.200 0.181 0.000 1.107 284 S CB 0.285 63.541 63.200 0.093 0.000 0.981 284 S HN 0.613 nan 8.310 nan 0.000 0.466 285 I N 3.276 124.038 120.570 0.319 0.000 2.496 285 I HA 0.159 4.329 4.170 0.000 0.000 0.285 285 I C 0.755 177.053 176.117 0.301 0.000 1.080 285 I CA 0.075 61.577 61.300 0.337 0.000 1.404 285 I CB 0.608 38.865 38.000 0.429 0.000 1.403 285 I HN 0.683 nan 8.210 nan 0.000 0.539 286 Q N 5.923 125.848 119.800 0.209 0.000 2.259 286 Q HA 0.478 4.818 4.340 0.000 0.000 0.249 286 Q C -1.028 174.931 176.000 -0.068 0.000 0.914 286 Q CA -0.499 55.232 55.803 -0.119 0.000 0.904 286 Q CB 1.247 29.844 28.738 -0.235 0.000 1.213 286 Q HN 0.520 nan 8.270 nan 0.000 0.428 287 I N 3.879 124.374 120.570 -0.125 0.000 2.359 287 I HA 0.198 4.368 4.170 0.000 0.000 0.284 287 I C 0.177 176.253 176.117 -0.070 0.000 1.018 287 I CA -0.692 60.593 61.300 -0.025 0.000 1.173 287 I CB 1.445 39.465 38.000 0.033 0.000 1.326 287 I HN 0.668 nan 8.210 nan 0.000 0.462 288 T N 2.809 117.288 114.554 -0.125 0.000 2.860 288 T HA 0.567 4.917 4.350 0.000 0.000 0.299 288 T C 0.436 174.923 174.700 -0.355 0.000 1.045 288 T CA -0.844 61.126 62.100 -0.217 0.000 1.071 288 T CB 1.382 70.132 68.868 -0.198 0.000 0.985 288 T HN 0.571 nan 8.240 nan 0.000 0.537 289 A N 2.833 125.232 122.820 -0.701 0.000 2.407 289 A HA 0.575 4.896 4.320 0.000 0.000 0.248 289 A C -2.066 175.048 177.584 -0.783 0.000 1.082 289 A CA -1.537 49.704 52.037 -1.328 0.000 0.785 289 A CB -0.822 16.954 19.000 -2.041 0.000 1.020 289 A HN 0.715 nan 8.150 nan 0.000 0.489 290 P HA 0.148 nan 4.420 nan 0.000 0.270 290 P C 0.891 177.973 177.300 -0.363 0.000 1.227 290 P CA 0.643 63.516 63.100 -0.379 0.000 0.788 290 P CB 0.532 32.080 31.700 -0.254 0.000 0.926 291 A N 1.551 124.228 122.820 -0.238 0.000 1.902 291 A HA -0.184 4.137 4.320 0.000 0.000 0.217 291 A C 2.088 179.553 177.584 -0.198 0.000 1.181 291 A CA 2.249 54.164 52.037 -0.203 0.000 0.623 291 A CB -1.855 17.062 19.000 -0.138 0.000 0.818 291 A HN 0.622 nan 8.150 nan 0.000 0.443 292 S N -1.235 114.370 115.700 -0.158 0.000 2.493 292 S HA -0.098 4.372 4.470 0.000 0.000 0.243 292 S C 1.657 176.157 174.600 -0.167 0.000 0.991 292 S CA 1.525 59.647 58.200 -0.129 0.000 0.957 292 S CB -0.317 62.862 63.200 -0.035 0.000 0.756 292 S HN 0.409 nan 8.310 nan 0.000 0.521 293 M N 0.688 120.129 119.600 -0.266 0.000 2.556 293 M HA 0.354 4.834 4.480 0.000 0.000 0.264 293 M C 1.956 177.969 176.300 -0.477 0.000 1.163 293 M CA 0.703 55.776 55.300 -0.379 0.000 1.186 293 M CB -1.098 31.145 32.600 -0.596 0.000 1.321 293 M HN 0.322 nan 8.290 nan 0.000 0.485 294 L N 1.070 122.007 121.223 -0.476 0.000 2.362 294 L HA -0.128 4.212 4.340 0.000 0.000 0.219 294 L C 2.183 178.977 176.870 -0.127 0.000 1.134 294 L CA 0.445 55.104 54.840 -0.302 0.000 0.807 294 L CB -1.013 40.890 42.059 -0.259 0.000 0.927 294 L HN 0.296 nan 8.230 nan 0.000 0.447 295 I N -2.142 118.348 120.570 -0.133 0.000 3.083 295 I HA 0.170 4.341 4.170 0.000 0.000 0.273 295 I C 0.932 177.017 176.117 -0.055 0.000 1.297 295 I CA 0.615 61.861 61.300 -0.089 0.000 1.452 295 I CB -0.599 37.339 38.000 -0.104 0.000 1.078 295 I HN 0.037 nan 8.210 nan 0.000 0.484 296 G N -0.669 108.118 108.800 -0.021 0.000 2.570 296 G HA2 0.286 4.246 3.960 0.000 0.000 0.310 296 G HA3 0.286 4.246 3.960 0.000 0.000 0.310 296 G C -1.919 173.028 174.900 0.078 0.000 1.266 296 G CA -0.672 44.432 45.100 0.006 0.000 0.825 296 G HN 0.022 nan 8.290 nan 0.000 0.483 297 D N 1.275 121.676 120.400 0.001 0.000 2.351 297 D HA 0.490 5.130 4.640 0.000 0.000 0.251 297 D C 0.229 176.457 176.300 -0.120 0.000 1.137 297 D CA 0.383 54.330 54.000 -0.088 0.000 0.879 297 D CB 0.557 41.272 40.800 -0.142 0.000 1.181 297 D HN 0.509 nan 8.370 nan 0.000 0.448 298 H N -0.141 118.780 119.070 -0.248 0.000 2.977 298 H HA 0.498 5.054 4.556 0.000 0.000 0.350 298 H C -1.262 173.916 175.328 -0.250 0.000 1.238 298 H CA -0.818 55.094 56.048 -0.226 0.000 1.124 298 H CB 0.427 30.183 29.762 -0.011 0.000 1.866 298 H HN 0.288 nan 8.280 nan 0.000 0.550 299 Y N -0.018 120.492 120.300 0.349 0.000 2.536 299 Y HA 0.380 4.930 4.550 0.000 0.000 0.347 299 Y C -0.282 175.882 175.900 0.439 0.000 1.000 299 Y CA -1.221 57.092 58.100 0.354 0.000 1.051 299 Y CB 1.889 40.420 38.460 0.118 0.000 1.259 299 Y HN 0.470 nan 8.280 nan 0.000 0.468 300 L N 2.829 124.374 121.223 0.537 0.000 2.281 300 L HA 0.383 4.723 4.340 0.000 0.000 0.285 300 L C 0.413 177.317 176.870 0.058 0.000 1.074 300 L CA -0.128 54.670 54.840 -0.070 0.000 0.817 300 L CB 0.434 42.372 42.059 -0.201 0.000 1.168 300 L HN 1.022 nan 8.230 nan 0.000 0.434 301 C N 1.214 120.404 119.300 -0.182 0.000 3.364 301 C HA 0.514 4.974 4.460 0.000 0.000 0.340 301 C C 0.203 175.065 174.990 -0.213 0.000 1.336 301 C CA -0.375 58.484 59.018 -0.264 0.000 1.778 301 C CB -0.432 27.202 27.740 -0.177 0.000 2.398 301 C HN 0.836 nan 8.230 nan 0.000 0.667 302 D N 0.229 120.519 120.400 -0.183 0.000 2.803 302 D HA 0.490 5.130 4.640 0.000 0.000 0.218 302 D C -1.824 174.231 176.300 -0.408 0.000 1.245 302 D CA 0.104 54.026 54.000 -0.131 0.000 0.821 302 D CB 2.829 43.538 40.800 -0.152 0.000 1.626 302 D HN 0.059 nan 8.370 nan 0.000 0.487 303 V N 2.342 121.948 119.914 -0.514 0.000 2.569 303 V HA 0.535 4.655 4.120 0.000 0.000 0.301 303 V C -0.510 175.200 176.094 -0.639 0.000 1.044 303 V CA -0.448 61.315 62.300 -0.895 0.000 0.874 303 V CB 1.914 32.724 31.823 -1.689 0.000 1.002 303 V HN 0.642 nan 8.190 nan 0.000 0.424 304 T N 3.246 117.507 114.554 -0.489 0.000 2.937 304 T HA 0.377 4.727 4.350 0.000 0.000 0.297 304 T C -0.823 173.770 174.700 -0.180 0.000 0.991 304 T CA -0.477 61.503 62.100 -0.199 0.000 0.990 304 T CB 0.888 69.721 68.868 -0.059 0.000 0.991 304 T HN 0.519 nan 8.240 nan 0.000 0.440 305 W N 1.939 123.232 121.300 -0.012 0.000 2.190 305 W HA 0.479 5.139 4.660 0.000 0.000 0.330 305 W C 1.118 177.593 176.519 -0.073 0.000 1.299 305 W CA -0.295 57.042 57.345 -0.014 0.000 1.215 305 W CB 0.613 30.135 29.460 0.103 0.000 1.147 305 W HN 0.863 nan 8.180 nan 0.000 0.563 306 A N 1.734 124.543 122.820 -0.019 0.000 1.944 306 A HA 0.204 4.524 4.320 0.000 0.000 0.209 306 A C 0.982 178.559 177.584 -0.011 0.000 1.328 306 A CA 1.480 53.253 52.037 -0.440 0.000 0.693 306 A CB -0.486 17.787 19.000 -1.212 0.000 0.994 306 A HN 0.534 nan 8.150 nan 0.000 0.485 307 T N -5.011 109.619 114.554 0.127 0.000 2.573 307 T HA 0.351 4.702 4.350 0.000 0.000 0.259 307 T C 0.413 175.275 174.700 0.271 0.000 0.886 307 T CA -0.163 62.045 62.100 0.180 0.000 1.110 307 T CB 0.385 69.338 68.868 0.142 0.000 1.421 307 T HN 0.001 nan 8.240 nan 0.000 0.523 308 Q N 0.459 120.387 119.800 0.213 0.000 2.230 308 Q HA 0.144 4.484 4.340 0.000 0.000 0.202 308 Q C 0.744 177.018 176.000 0.458 0.000 0.963 308 Q CA 1.251 57.174 55.803 0.200 0.000 0.866 308 Q CB -0.153 28.651 28.738 0.110 0.000 0.931 308 Q HN 0.833 nan 8.270 nan 0.000 0.452 309 E N -0.140 120.353 120.200 0.488 0.000 2.876 309 E HA 0.249 4.599 4.350 0.000 0.000 0.208 309 E C -0.409 176.529 176.600 0.564 0.000 0.981 309 E CA -0.154 56.584 56.400 0.565 0.000 1.174 309 E CB 1.106 31.015 29.700 0.349 0.000 1.047 309 E HN -0.054 nan 8.360 nan 0.000 0.477 310 R N 1.464 122.296 120.500 0.553 0.000 2.564 310 R HA 0.577 4.918 4.340 0.000 0.000 0.284 310 R C -1.800 174.550 176.300 0.082 0.000 1.031 310 R CA -0.487 55.780 56.100 0.278 0.000 0.904 310 R CB 1.423 31.761 30.300 0.064 0.000 1.199 310 R HN 0.081 nan 8.270 nan 0.000 0.443 311 I N 2.504 122.940 120.570 -0.223 0.000 2.769 311 I HA 0.431 4.601 4.170 0.000 0.000 0.298 311 I C -1.069 174.757 176.117 -0.485 0.000 1.128 311 I CA -0.524 60.395 61.300 -0.635 0.000 1.031 311 I CB 2.451 39.643 38.000 -1.347 0.000 1.235 311 I HN 0.829 nan 8.210 nan 0.000 0.423 312 S N 6.923 122.335 115.700 -0.480 0.000 2.503 312 S HA 0.801 5.271 4.470 0.000 0.000 0.301 312 S C -1.183 173.104 174.600 -0.520 0.000 1.087 312 S CA -0.702 57.274 58.200 -0.372 0.000 1.042 312 S CB 1.904 64.989 63.200 -0.191 0.000 1.043 312 S HN 0.375 nan 8.310 nan 0.000 0.489 313 L N 1.970 122.901 121.223 -0.486 0.000 2.370 313 L HA 0.577 4.917 4.340 0.000 0.000 0.266 313 L C -0.274 176.286 176.870 -0.517 0.000 1.002 313 L CA -0.259 54.187 54.840 -0.656 0.000 0.818 313 L CB 1.949 43.598 42.059 -0.683 0.000 1.325 313 L HN 0.829 nan 8.230 nan 0.000 0.418 314 Q N 1.660 121.071 119.800 -0.648 0.000 2.321 314 Q HA 0.447 4.787 4.340 0.000 0.000 0.270 314 Q C -1.729 173.951 176.000 -0.534 0.000 1.032 314 Q CA -0.505 55.049 55.803 -0.415 0.000 0.784 314 Q CB 2.247 30.827 28.738 -0.264 0.000 1.264 314 Q HN 0.495 nan 8.270 nan 0.000 0.448 315 W N 2.630 123.898 121.300 -0.053 0.000 2.627 315 W HA 0.645 5.305 4.660 0.000 0.000 0.339 315 W C -0.662 175.900 176.519 0.072 0.000 1.058 315 W CA -0.526 56.833 57.345 0.023 0.000 1.223 315 W CB 1.261 30.712 29.460 -0.016 0.000 1.389 315 W HN 0.322 nan 8.180 nan 0.000 0.541 316 L N 3.343 124.795 121.223 0.381 0.000 2.381 316 L HA 0.514 4.854 4.340 0.000 0.000 0.274 316 L C 0.351 177.412 176.870 0.318 0.000 0.988 316 L CA -1.100 53.928 54.840 0.313 0.000 0.824 316 L CB 1.385 43.621 42.059 0.294 0.000 1.263 316 L HN 0.447 nan 8.230 nan 0.000 0.410 317 R N 2.007 122.652 120.500 0.243 0.000 2.784 317 R HA 0.042 4.383 4.340 0.000 0.000 0.266 317 R C 0.982 177.339 176.300 0.095 0.000 1.044 317 R CA 0.008 56.192 56.100 0.140 0.000 1.151 317 R CB 0.660 31.027 30.300 0.111 0.000 1.037 317 R HN 0.616 nan 8.270 nan 0.000 0.478 318 R N 1.511 121.980 120.500 -0.051 0.000 2.120 318 R HA -0.066 4.274 4.340 0.000 0.000 0.234 318 R C 0.362 176.714 176.300 0.086 0.000 1.123 318 R CA 1.112 57.176 56.100 -0.061 0.000 0.975 318 R CB -0.041 30.174 30.300 -0.142 0.000 0.866 318 R HN 0.477 nan 8.270 nan 0.000 0.446 319 I N 2.231 122.834 120.570 0.055 0.000 2.311 319 I HA 0.045 4.215 4.170 0.000 0.000 0.297 319 I C 0.144 176.318 176.117 0.094 0.000 1.131 319 I CA 0.195 61.530 61.300 0.059 0.000 1.289 319 I CB 1.188 39.209 38.000 0.034 0.000 1.446 319 I HN 0.042 nan 8.210 nan 0.000 0.524 320 Q N 4.671 124.526 119.800 0.091 0.000 2.380 320 Q HA -0.009 4.331 4.340 0.000 0.000 0.254 320 Q C 0.507 176.581 176.000 0.125 0.000 0.927 320 Q CA -0.046 55.825 55.803 0.114 0.000 0.950 320 Q CB -0.361 28.405 28.738 0.047 0.000 1.206 320 Q HN 0.734 nan 8.270 nan 0.000 0.414 321 N N -0.914 117.864 118.700 0.130 0.000 2.204 321 N HA -0.022 4.718 4.740 0.000 0.000 0.219 321 N C -1.013 174.593 175.510 0.159 0.000 1.151 321 N CA -0.193 52.923 53.050 0.110 0.000 0.867 321 N CB 0.353 38.884 38.487 0.074 0.000 1.043 321 N HN 0.193 nan 8.380 nan 0.000 0.516 322 Y N 0.915 121.238 120.300 0.039 0.000 2.401 322 Y HA 0.545 5.095 4.550 0.000 0.000 0.330 322 Y C -1.237 174.696 175.900 0.055 0.000 1.071 322 Y CA -0.751 57.371 58.100 0.036 0.000 1.049 322 Y CB 1.594 40.069 38.460 0.024 0.000 1.239 322 Y HN 0.175 nan 8.280 nan 0.000 0.437 323 S N 3.787 119.450 115.700 -0.061 0.000 2.556 323 S HA 0.876 5.346 4.470 0.000 0.000 0.271 323 S C -2.117 172.464 174.600 -0.031 0.000 1.135 323 S CA -0.820 57.408 58.200 0.046 0.000 0.858 323 S CB 1.865 65.092 63.200 0.044 0.000 1.114 323 S HN 0.440 nan 8.310 nan 0.000 0.468 324 V N 3.073 123.035 119.914 0.081 0.000 2.531 324 V HA 0.524 4.644 4.120 0.000 0.000 0.301 324 V C -0.368 175.776 176.094 0.082 0.000 1.034 324 V CA -0.609 61.733 62.300 0.069 0.000 0.865 324 V CB 1.779 33.669 31.823 0.112 0.000 0.995 324 V HN 1.030 nan 8.190 nan 0.000 0.424 325 M N 3.735 123.342 119.600 0.012 0.000 2.318 325 M HA 0.554 5.034 4.480 0.000 0.000 0.347 325 M C -1.360 174.941 176.300 0.001 0.000 1.175 325 M CA -0.129 55.145 55.300 -0.044 0.000 1.075 325 M CB 1.309 33.823 32.600 -0.143 0.000 1.614 325 M HN 0.677 nan 8.290 nan 0.000 0.456 326 D N 4.547 124.933 120.400 -0.023 0.000 2.696 326 D HA 0.452 5.092 4.640 0.000 0.000 0.251 326 D C -1.497 174.761 176.300 -0.070 0.000 1.188 326 D CA -0.285 53.709 54.000 -0.009 0.000 0.876 326 D CB 1.330 42.162 40.800 0.054 0.000 1.334 326 D HN 0.455 nan 8.370 nan 0.000 0.540 327 I N 2.861 123.413 120.570 -0.031 0.000 2.331 327 I HA 0.352 4.522 4.170 0.000 0.000 0.292 327 I C -0.334 175.774 176.117 -0.015 0.000 0.998 327 I CA -0.333 60.945 61.300 -0.037 0.000 1.267 327 I CB 1.278 39.299 38.000 0.035 0.000 1.386 327 I HN 0.338 nan 8.210 nan 0.000 0.476 328 c N 4.149 122.735 118.600 -0.022 0.000 2.364 328 c HA 0.505 5.075 4.570 0.000 0.000 0.324 328 c C -0.405 173.819 174.090 0.223 0.000 1.234 328 c CA -0.929 55.448 56.329 0.081 0.000 1.417 328 c CB 0.616 43.161 42.510 0.059 0.000 2.101 328 c HN 0.665 nan 8.230 nan 0.000 0.466 329 D N 0.577 121.099 120.400 0.203 0.000 2.229 329 D HA 0.337 4.977 4.640 0.000 0.000 0.249 329 D C -0.597 175.756 176.300 0.087 0.000 1.027 329 D CA -0.090 54.022 54.000 0.186 0.000 0.923 329 D CB 0.629 41.474 40.800 0.075 0.000 1.174 329 D HN 0.599 nan 8.370 nan 0.000 0.443 330 Y N 1.308 121.427 120.300 -0.302 0.000 2.336 330 Y HA 0.139 4.689 4.550 0.000 0.000 0.335 330 Y C -0.061 175.591 175.900 -0.415 0.000 1.046 330 Y CA -0.253 57.324 58.100 -0.870 0.000 1.198 330 Y CB 0.794 38.560 38.460 -1.157 0.000 1.182 330 Y HN 0.233 nan 8.280 nan 0.000 0.502 331 D N 6.271 126.023 120.400 -1.078 0.000 2.468 331 D HA 0.014 4.655 4.640 0.000 0.000 0.218 331 D C 0.794 176.601 176.300 -0.821 0.000 1.155 331 D CA 0.238 53.826 54.000 -0.686 0.000 0.924 331 D CB 0.547 41.070 40.800 -0.461 0.000 1.029 331 D HN 0.909 nan 8.370 nan 0.000 0.515 332 E N 0.941 120.872 120.200 -0.448 0.000 2.171 332 E HA -0.196 4.154 4.350 0.000 0.000 0.197 332 E C 1.512 178.057 176.600 -0.092 0.000 0.997 332 E CA 1.102 57.423 56.400 -0.132 0.000 0.810 332 E CB 0.381 30.149 29.700 0.113 0.000 0.738 332 E HN 0.406 nan 8.360 nan 0.000 0.467 333 S N -1.358 114.267 115.700 -0.124 0.000 2.524 333 S HA 0.110 4.580 4.470 0.000 0.000 0.216 333 S C 1.712 176.248 174.600 -0.106 0.000 0.987 333 S CA 0.204 58.358 58.200 -0.076 0.000 0.909 333 S CB 0.709 63.880 63.200 -0.048 0.000 0.781 333 S HN -0.007 nan 8.310 nan 0.000 0.521 334 S N 0.606 116.189 115.700 -0.195 0.000 2.503 334 S HA 0.447 4.917 4.470 0.000 0.000 0.215 334 S C 1.577 176.052 174.600 -0.208 0.000 1.003 334 S CA 0.295 58.386 58.200 -0.181 0.000 0.910 334 S CB 0.023 63.106 63.200 -0.194 0.000 0.790 334 S HN 0.969 nan 8.310 nan 0.000 0.514 335 G N 1.934 110.525 108.800 -0.348 0.000 2.166 335 G HA2 -0.302 3.658 3.960 0.000 0.000 0.260 335 G HA3 -0.302 3.658 3.960 0.000 0.000 0.260 335 G C 0.198 174.898 174.900 -0.333 0.000 0.986 335 G CA 0.558 45.505 45.100 -0.255 0.000 0.683 335 G HN 0.436 nan 8.290 nan 0.000 0.527 336 R N -1.677 118.511 120.500 -0.521 0.000 2.705 336 R HA 0.648 4.988 4.340 0.000 0.000 0.246 336 R C -0.877 175.133 176.300 -0.483 0.000 1.142 336 R CA -0.920 55.001 56.100 -0.299 0.000 1.114 336 R CB 0.695 30.898 30.300 -0.161 0.000 1.256 336 R HN 0.165 nan 8.270 nan 0.000 0.536 337 W N 0.660 121.915 121.300 -0.075 0.000 2.424 337 W HA 0.396 5.056 4.660 0.000 0.000 0.318 337 W C -0.763 175.717 176.519 -0.066 0.000 1.016 337 W CA -0.424 56.890 57.345 -0.052 0.000 1.268 337 W CB 1.208 30.662 29.460 -0.011 0.000 1.297 337 W HN 0.426 nan 8.180 nan 0.000 0.428 338 N N 2.373 121.134 118.700 0.103 0.000 2.400 338 N HA 0.571 5.311 4.740 0.000 0.000 0.288 338 N C -1.323 174.221 175.510 0.057 0.000 1.024 338 N CA -0.567 52.509 53.050 0.044 0.000 0.894 338 N CB 1.124 39.599 38.487 -0.020 0.000 1.173 338 N HN 0.179 nan 8.380 nan 0.000 0.487 339 c N 2.828 121.443 118.600 0.026 0.000 2.293 339 c HA 0.393 4.963 4.570 0.000 0.000 0.323 339 c C 0.400 174.483 174.090 -0.012 0.000 1.240 339 c CA -1.112 55.223 56.329 0.009 0.000 1.497 339 c CB -0.874 41.631 42.510 -0.007 0.000 2.171 339 c HN 0.636 nan 8.230 nan 0.000 0.465 340 L N 2.552 123.771 121.223 -0.007 0.000 2.456 340 L HA 0.093 4.433 4.340 0.000 0.000 0.272 340 L C 1.449 178.301 176.870 -0.030 0.000 1.189 340 L CA 0.157 54.986 54.840 -0.017 0.000 0.846 340 L CB 0.821 42.874 42.059 -0.009 0.000 1.111 340 L HN 0.632 nan 8.230 nan 0.000 0.475 341 V N 2.925 122.816 119.914 -0.038 0.000 2.427 341 V HA -0.239 3.881 4.120 0.000 0.000 0.248 341 V C 2.140 178.199 176.094 -0.058 0.000 1.051 341 V CA 2.040 64.311 62.300 -0.048 0.000 1.048 341 V CB -0.448 31.348 31.823 -0.046 0.000 0.666 341 V HN 1.009 nan 8.190 nan 0.000 0.456 342 A N -0.413 122.376 122.820 -0.053 0.000 2.066 342 A HA -0.121 4.199 4.320 0.000 0.000 0.218 342 A C 2.259 179.788 177.584 -0.092 0.000 1.157 342 A CA 1.008 53.005 52.037 -0.066 0.000 0.670 342 A CB -0.406 18.567 19.000 -0.045 0.000 0.804 342 A HN 0.490 nan 8.150 nan 0.000 0.453 343 R N -0.138 120.326 120.500 -0.059 0.000 2.307 343 R HA 0.054 4.394 4.340 0.000 0.000 0.199 343 R C 0.211 176.466 176.300 -0.075 0.000 1.000 343 R CA 0.058 56.137 56.100 -0.034 0.000 1.023 343 R CB 0.011 30.327 30.300 0.027 0.000 0.908 343 R HN 0.653 nan 8.270 nan 0.000 0.473 344 Q N 0.081 119.807 119.800 -0.123 0.000 2.394 344 Q HA 0.063 4.403 4.340 0.000 0.000 0.248 344 Q C -0.811 175.026 176.000 -0.273 0.000 0.992 344 Q CA 0.567 56.304 55.803 -0.108 0.000 0.888 344 Q CB 0.839 29.533 28.738 -0.074 0.000 1.257 344 Q HN 0.224 nan 8.270 nan 0.000 0.462 345 H N 0.741 119.788 119.070 -0.038 0.000 2.970 345 H HA 0.353 4.909 4.556 0.000 0.000 0.315 345 H C -0.786 174.497 175.328 -0.075 0.000 0.992 345 H CA -0.311 55.706 56.048 -0.051 0.000 1.363 345 H CB 0.790 30.483 29.762 -0.116 0.000 1.532 345 H HN 0.443 nan 8.280 nan 0.000 0.514 346 I N 2.383 122.960 120.570 0.011 0.000 2.519 346 I HA 0.140 4.310 4.170 0.000 0.000 0.287 346 I C 0.220 176.288 176.117 -0.082 0.000 1.047 346 I CA 0.283 61.529 61.300 -0.091 0.000 1.381 346 I CB 0.913 38.818 38.000 -0.158 0.000 1.417 346 I HN 0.598 nan 8.210 nan 0.000 0.540 347 E N 7.436 127.540 120.200 -0.159 0.000 2.281 347 E HA 0.495 4.846 4.350 0.000 0.000 0.266 347 E C -1.492 174.994 176.600 -0.189 0.000 0.893 347 E CA -0.705 55.629 56.400 -0.110 0.000 0.798 347 E CB 1.413 31.089 29.700 -0.041 0.000 1.245 347 E HN 0.550 nan 8.360 nan 0.000 0.410 348 M N 1.515 121.012 119.600 -0.172 0.000 2.846 348 M HA 0.618 5.098 4.480 0.000 0.000 0.282 348 M C -0.739 175.525 176.300 -0.060 0.000 1.266 348 M CA -1.024 54.189 55.300 -0.145 0.000 0.766 348 M CB 1.910 34.373 32.600 -0.229 0.000 1.739 348 M HN 0.122 nan 8.290 nan 0.000 0.442 349 S N -1.021 114.658 115.700 -0.035 0.000 2.668 349 S HA 0.493 4.963 4.470 0.000 0.000 0.277 349 S C 0.201 174.777 174.600 -0.040 0.000 1.170 349 S CA -0.001 58.171 58.200 -0.047 0.000 0.994 349 S CB 1.065 64.208 63.200 -0.096 0.000 1.051 349 S HN 1.044 nan 8.310 nan 0.000 0.484 350 T N 0.700 115.237 114.554 -0.028 0.000 3.043 350 T HA -0.007 4.344 4.350 0.000 0.000 0.263 350 T C 1.587 176.263 174.700 -0.039 0.000 1.094 350 T CA 1.367 63.457 62.100 -0.017 0.000 1.127 350 T CB -0.579 68.286 68.868 -0.005 0.000 0.905 350 T HN 0.733 nan 8.240 nan 0.000 0.490 351 T N -2.320 112.197 114.554 -0.063 0.000 3.037 351 T HA 0.591 4.941 4.350 0.000 0.000 0.251 351 T C 1.114 175.681 174.700 -0.222 0.000 1.079 351 T CA 0.282 62.340 62.100 -0.070 0.000 1.067 351 T CB 0.331 69.200 68.868 0.003 0.000 0.948 351 T HN 0.621 nan 8.240 nan 0.000 0.496 352 G N 0.295 108.819 108.800 -0.460 0.000 2.726 352 G HA2 0.498 4.458 3.960 0.000 0.000 0.198 352 G HA3 0.498 4.458 3.960 0.000 0.000 0.198 352 G C -1.539 173.100 174.900 -0.434 0.000 1.195 352 G CA -0.636 43.996 45.100 -0.780 0.000 0.951 352 G HN 0.485 nan 8.290 nan 0.000 0.532 353 W N -0.514 120.494 121.300 -0.487 0.000 2.225 353 W HA 0.760 5.420 4.660 0.000 0.000 0.377 353 W C -0.245 176.202 176.519 -0.120 0.000 1.418 353 W CA -1.288 55.917 57.345 -0.234 0.000 1.562 353 W CB 0.751 30.068 29.460 -0.238 0.000 1.297 353 W HN 0.431 nan 8.180 nan 0.000 0.686 354 V N 2.860 122.854 119.914 0.133 0.000 2.370 354 V HA 0.765 4.885 4.120 0.000 0.000 0.283 354 V C 0.363 176.539 176.094 0.137 0.000 1.023 354 V CA 0.526 62.856 62.300 0.049 0.000 0.857 354 V CB 0.254 32.102 31.823 0.041 0.000 0.985 354 V HN 1.654 nan 8.190 nan 0.000 0.443 355 G N 6.519 115.348 108.800 0.049 0.000 2.660 355 G HA2 -0.180 3.780 3.960 0.000 0.000 0.247 355 G HA3 -0.180 3.780 3.960 0.000 0.000 0.247 355 G C 0.221 175.201 174.900 0.133 0.000 1.328 355 G CA 0.211 45.368 45.100 0.094 0.000 0.884 355 G HN 0.812 nan 8.290 nan 0.000 0.531 356 R N -1.262 119.317 120.500 0.131 0.000 2.066 356 R HA 0.303 4.643 4.340 0.000 0.000 0.224 356 R C 1.978 178.221 176.300 -0.095 0.000 1.122 356 R CA 1.967 58.092 56.100 0.042 0.000 0.974 356 R CB -0.021 30.291 30.300 0.020 0.000 0.871 356 R HN 0.448 nan 8.270 nan 0.000 0.435 357 F N -0.852 119.247 119.950 0.249 0.000 2.455 357 F HA 0.226 4.753 4.527 0.000 0.000 0.278 357 F C 0.528 176.369 175.800 0.069 0.000 0.887 357 F CA -0.455 57.638 58.000 0.155 0.000 1.104 357 F CB 0.505 39.593 39.000 0.147 0.000 0.949 357 F HN -0.189 nan 8.300 nan 0.000 0.750 358 R N 0.386 121.039 120.500 0.254 0.000 2.867 358 R HA 0.617 4.957 4.340 0.000 0.000 0.268 358 R C -3.134 173.230 176.300 0.106 0.000 1.014 358 R CA -1.997 54.168 56.100 0.109 0.000 0.946 358 R CB 0.566 30.877 30.300 0.018 0.000 1.208 358 R HN -0.273 nan 8.270 nan 0.000 0.477 359 P HA -0.072 nan 4.420 nan 0.000 0.266 359 P C -0.398 176.926 177.300 0.041 0.000 1.193 359 P CA -0.002 63.122 63.100 0.039 0.000 0.770 359 P CB 0.709 32.407 31.700 -0.004 0.000 0.836 360 S N 1.901 117.632 115.700 0.052 0.000 2.562 360 S HA 0.073 4.543 4.470 0.000 0.000 0.281 360 S C 0.202 174.814 174.600 0.021 0.000 1.333 360 S CA -0.632 57.610 58.200 0.071 0.000 1.052 360 S CB -0.063 63.197 63.200 0.100 0.000 0.884 360 S HN 0.428 nan 8.310 nan 0.000 0.506 361 E N 4.760 124.980 120.200 0.034 0.000 2.331 361 E HA 0.436 4.786 4.350 0.000 0.000 0.272 361 E C -2.839 173.712 176.600 -0.081 0.000 1.036 361 E CA -2.265 54.103 56.400 -0.053 0.000 0.864 361 E CB 0.432 30.106 29.700 -0.043 0.000 1.035 361 E HN 0.385 nan 8.360 nan 0.000 0.408 362 P HA 0.313 nan 4.420 nan 0.000 0.290 362 P C -0.838 176.257 177.300 -0.341 0.000 1.275 362 P CA -0.443 62.503 63.100 -0.257 0.000 0.841 362 P CB 0.890 32.146 31.700 -0.741 0.000 1.042 363 H N 1.885 120.941 119.070 -0.023 0.000 2.539 363 H HA 0.324 4.880 4.556 0.000 0.000 0.332 363 H C -0.470 174.918 175.328 0.100 0.000 1.031 363 H CA -0.264 55.850 56.048 0.111 0.000 1.206 363 H CB 0.653 30.543 29.762 0.213 0.000 1.446 363 H HN 0.325 nan 8.280 nan 0.000 0.496 364 F N 1.419 121.565 119.950 0.327 0.000 2.385 364 F HA 0.104 4.632 4.527 0.000 0.000 0.336 364 F C 1.300 177.278 175.800 0.296 0.000 1.100 364 F CA -0.439 57.739 58.000 0.297 0.000 1.116 364 F CB 1.104 40.227 39.000 0.207 0.000 1.166 364 F HN 0.351 nan 8.300 nan 0.000 0.511 365 T N 3.851 118.686 114.554 0.468 0.000 2.855 365 T HA -0.053 4.297 4.350 0.000 0.000 0.322 365 T C 1.286 176.176 174.700 0.316 0.000 1.088 365 T CA -0.534 61.783 62.100 0.362 0.000 1.104 365 T CB 0.557 69.608 68.868 0.306 0.000 0.996 365 T HN 0.537 nan 8.240 nan 0.000 0.549 366 L N 2.105 123.472 121.223 0.239 0.000 1.997 366 L HA -0.205 4.135 4.340 0.000 0.000 0.216 366 L C 2.371 179.346 176.870 0.176 0.000 1.074 366 L CA 2.320 57.274 54.840 0.191 0.000 0.763 366 L CB -0.956 41.192 42.059 0.148 0.000 0.890 366 L HN 0.893 nan 8.230 nan 0.000 0.434 367 D N -1.580 118.920 120.400 0.167 0.000 2.178 367 D HA -0.049 4.591 4.640 0.000 0.000 0.201 367 D C 1.758 178.148 176.300 0.149 0.000 0.980 367 D CA 1.353 55.439 54.000 0.143 0.000 0.842 367 D CB -0.578 40.298 40.800 0.127 0.000 0.948 367 D HN 0.549 nan 8.370 nan 0.000 0.472 368 G N 0.262 109.185 108.800 0.204 0.000 2.179 368 G HA2 -0.279 3.681 3.960 0.000 0.000 0.220 368 G HA3 -0.279 3.681 3.960 0.000 0.000 0.220 368 G C 0.773 175.826 174.900 0.254 0.000 0.990 368 G CA 0.243 45.458 45.100 0.193 0.000 0.646 368 G HN 0.376 nan 8.290 nan 0.000 0.517 369 N N 0.524 119.360 118.700 0.227 0.000 2.398 369 N HA 0.385 5.126 4.740 0.000 0.000 0.188 369 N C 0.293 175.916 175.510 0.189 0.000 1.122 369 N CA 1.037 54.203 53.050 0.194 0.000 0.866 369 N CB 0.472 39.035 38.487 0.125 0.000 0.970 369 N HN 0.354 nan 8.380 nan 0.000 0.462 370 S N -0.574 115.279 115.700 0.255 0.000 2.550 370 S HA 0.641 5.111 4.470 0.000 0.000 0.270 370 S C -1.533 173.148 174.600 0.135 0.000 1.145 370 S CA -0.883 57.347 58.200 0.049 0.000 0.852 370 S CB 1.277 64.448 63.200 -0.048 0.000 1.119 370 S HN 0.229 nan 8.310 nan 0.000 0.465 371 F N -0.292 119.490 119.950 -0.280 0.000 2.631 371 F HA 0.798 5.325 4.527 0.000 0.000 0.308 371 F C -2.061 173.541 175.800 -0.330 0.000 1.097 371 F CA -1.283 56.461 58.000 -0.426 0.000 0.952 371 F CB 0.685 39.085 39.000 -1.001 0.000 1.307 371 F HN 0.465 nan 8.300 nan 0.000 0.450 372 Y N 1.528 121.960 120.300 0.220 0.000 2.341 372 Y HA 0.626 5.177 4.550 0.000 0.000 0.337 372 Y C -0.186 175.876 175.900 0.271 0.000 1.014 372 Y CA -0.808 57.416 58.100 0.207 0.000 1.111 372 Y CB 1.942 40.495 38.460 0.155 0.000 1.194 372 Y HN 0.706 nan 8.280 nan 0.000 0.462 373 K N 4.079 124.715 120.400 0.394 0.000 2.553 373 K HA 0.476 4.797 4.320 0.000 0.000 0.250 373 K C -1.561 175.189 176.600 0.250 0.000 0.953 373 K CA -0.521 55.955 56.287 0.315 0.000 0.800 373 K CB 1.338 34.020 32.500 0.304 0.000 1.243 373 K HN 0.746 nan 8.250 nan 0.000 0.435 374 I N 6.733 127.418 120.570 0.192 0.000 2.517 374 I HA 0.173 4.343 4.170 0.000 0.000 0.285 374 I C 0.330 176.531 176.117 0.140 0.000 1.106 374 I CA -0.058 61.328 61.300 0.143 0.000 1.402 374 I CB 0.162 38.227 38.000 0.108 0.000 1.399 374 I HN 0.522 nan 8.210 nan 0.000 0.535 375 I N 2.203 122.874 120.570 0.168 0.000 3.095 375 I HA 0.464 4.634 4.170 0.000 0.000 0.310 375 I C -0.217 175.982 176.117 0.135 0.000 1.196 375 I CA -0.833 60.559 61.300 0.152 0.000 0.985 375 I CB 2.152 40.267 38.000 0.191 0.000 1.250 375 I HN 0.371 nan 8.210 nan 0.000 0.446 376 S N 3.123 118.851 115.700 0.048 0.000 2.498 376 S HA 0.188 4.658 4.470 0.000 0.000 0.281 376 S C 0.059 174.666 174.600 0.011 0.000 1.265 376 S CA -0.503 57.672 58.200 -0.041 0.000 1.071 376 S CB -0.473 62.657 63.200 -0.117 0.000 0.894 376 S HN 0.842 nan 8.310 nan 0.000 0.491 377 N N 3.905 122.517 118.700 -0.147 0.000 2.347 377 N HA 0.029 4.769 4.740 0.000 0.000 0.253 377 N C 1.182 176.599 175.510 -0.156 0.000 1.274 377 N CA -0.200 52.645 53.050 -0.342 0.000 0.941 377 N CB 0.138 38.045 38.487 -0.967 0.000 1.200 377 N HN 0.742 nan 8.380 nan 0.000 0.514 378 E N -0.512 119.614 120.200 -0.124 0.000 2.396 378 E HA -0.252 4.098 4.350 0.000 0.000 0.200 378 E C -0.092 176.455 176.600 -0.088 0.000 1.023 378 E CA 1.340 57.705 56.400 -0.059 0.000 0.857 378 E CB -0.422 29.263 29.700 -0.024 0.000 0.775 378 E HN 0.903 nan 8.360 nan 0.000 0.525 379 E N -0.731 119.399 120.200 -0.116 0.000 2.789 379 E HA 0.360 4.710 4.350 0.000 0.000 0.208 379 E C 0.764 177.283 176.600 -0.135 0.000 0.988 379 E CA 0.089 56.435 56.400 -0.090 0.000 1.092 379 E CB 0.518 30.189 29.700 -0.047 0.000 1.066 379 E HN 0.215 nan 8.360 nan 0.000 0.465 380 G N 0.748 109.420 108.800 -0.214 0.000 2.217 380 G HA2 -0.306 3.654 3.960 0.000 0.000 0.246 380 G HA3 -0.306 3.654 3.960 0.000 0.000 0.246 380 G C -0.216 174.374 174.900 -0.517 0.000 0.990 380 G CA 0.027 44.892 45.100 -0.391 0.000 0.627 380 G HN 0.337 nan 8.290 nan 0.000 0.522 381 Y N 0.871 121.031 120.300 -0.234 0.000 2.320 381 Y HA 0.654 5.204 4.550 0.000 0.000 0.324 381 Y C 1.268 177.010 175.900 -0.263 0.000 1.190 381 Y CA -0.590 57.363 58.100 -0.245 0.000 1.215 381 Y CB 0.834 39.170 38.460 -0.207 0.000 1.221 381 Y HN 0.038 nan 8.280 nan 0.000 0.486 382 R N 3.472 123.845 120.500 -0.212 0.000 2.196 382 R HA 0.308 4.648 4.340 0.000 0.000 0.340 382 R C -0.812 175.175 176.300 -0.521 0.000 1.043 382 R CA -0.260 55.692 56.100 -0.246 0.000 0.883 382 R CB 0.234 30.441 30.300 -0.156 0.000 1.078 382 R HN 0.685 nan 8.270 nan 0.000 0.462 383 H N 1.777 120.763 119.070 -0.140 0.000 2.908 383 H HA 0.380 4.937 4.556 0.000 0.000 0.350 383 H C -0.155 175.194 175.328 0.036 0.000 1.217 383 H CA -0.944 55.003 56.048 -0.168 0.000 1.168 383 H CB 1.710 31.259 29.762 -0.356 0.000 1.891 383 H HN 0.295 nan 8.280 nan 0.000 0.566 384 I N 1.274 121.910 120.570 0.111 0.000 2.371 384 I HA 0.084 4.254 4.170 0.000 0.000 0.290 384 I C 0.197 176.369 176.117 0.092 0.000 1.028 384 I CA -0.104 61.238 61.300 0.070 0.000 1.345 384 I CB 0.571 38.519 38.000 -0.088 0.000 1.407 384 I HN 0.129 nan 8.210 nan 0.000 0.501 385 c N 7.069 125.672 118.600 0.006 0.000 2.329 385 c HA 0.343 4.913 4.570 0.000 0.000 0.329 385 c C -0.186 173.749 174.090 -0.258 0.000 1.275 385 c CA -0.572 55.541 56.329 -0.360 0.000 1.726 385 c CB 0.419 42.498 42.510 -0.719 0.000 2.291 385 c HN 0.705 nan 8.230 nan 0.000 0.514 386 Y N 4.727 124.732 120.300 -0.492 0.000 2.327 386 Y HA 0.555 5.105 4.550 0.000 0.000 0.336 386 Y C -0.766 174.691 175.900 -0.739 0.000 1.035 386 Y CA -0.360 57.443 58.100 -0.494 0.000 1.165 386 Y CB 0.353 38.650 38.460 -0.272 0.000 1.181 386 Y HN 0.660 nan 8.280 nan 0.000 0.494 387 F N 4.322 123.553 119.950 -1.198 0.000 2.480 387 F HA 0.362 4.889 4.527 0.000 0.000 0.329 387 F C -0.452 174.670 175.800 -1.129 0.000 1.091 387 F CA -0.776 56.484 58.000 -1.232 0.000 0.972 387 F CB 1.584 39.438 39.000 -1.910 0.000 1.150 387 F HN 0.406 nan 8.300 nan 0.000 0.467 388 Q N 3.834 123.360 119.800 -0.457 0.000 2.241 388 Q HA 0.314 4.655 4.340 0.000 0.000 0.254 388 Q C 0.950 176.980 176.000 0.050 0.000 0.917 388 Q CA -0.515 55.150 55.803 -0.230 0.000 0.919 388 Q CB 1.766 30.414 28.738 -0.150 0.000 1.237 388 Q HN 0.583 nan 8.270 nan 0.000 0.434 389 I N 1.342 121.994 120.570 0.137 0.000 2.361 389 I HA -0.250 3.921 4.170 0.000 0.000 0.251 389 I C 1.171 177.426 176.117 0.231 0.000 1.133 389 I CA 1.114 62.606 61.300 0.320 0.000 1.413 389 I CB -0.771 37.384 38.000 0.257 0.000 1.073 389 I HN 0.544 nan 8.210 nan 0.000 0.424 390 D N 1.989 122.456 120.400 0.112 0.000 2.088 390 D HA -0.134 4.506 4.640 0.000 0.000 0.191 390 D C 1.104 177.412 176.300 0.012 0.000 0.992 390 D CA 1.328 55.355 54.000 0.045 0.000 0.831 390 D CB -0.127 40.684 40.800 0.019 0.000 0.973 390 D HN 0.506 nan 8.370 nan 0.000 0.447 391 K N 0.699 121.120 120.400 0.035 0.000 2.221 391 K HA 0.313 4.633 4.320 0.000 0.000 0.243 391 K C 0.761 177.410 176.600 0.081 0.000 0.968 391 K CA -0.890 55.400 56.287 0.004 0.000 0.846 391 K CB 1.901 34.393 32.500 -0.013 0.000 1.141 391 K HN -0.249 nan 8.250 nan 0.000 0.434 392 K N 0.845 121.245 120.400 0.001 0.000 2.504 392 K HA -0.032 4.288 4.320 0.000 0.000 0.195 392 K C -0.787 175.892 176.600 0.130 0.000 1.036 392 K CA 0.827 57.166 56.287 0.085 0.000 0.984 392 K CB -0.152 32.344 32.500 -0.006 0.000 0.788 392 K HN 0.564 nan 8.250 nan 0.000 0.488 393 D N 2.428 122.839 120.400 0.019 0.000 2.317 393 D HA 0.118 4.758 4.640 0.000 0.000 0.234 393 D C -0.039 176.111 176.300 -0.251 0.000 1.112 393 D CA -0.293 53.650 54.000 -0.094 0.000 0.840 393 D CB 1.176 41.924 40.800 -0.086 0.000 1.078 393 D HN 0.333 nan 8.370 nan 0.000 0.486 394 c N 0.931 119.253 118.600 -0.463 0.000 2.529 394 c HA 0.877 5.447 4.570 0.000 0.000 0.329 394 c C 0.364 174.074 174.090 -0.634 0.000 1.194 394 c CA -0.743 55.124 56.329 -0.771 0.000 1.779 394 c CB 1.166 42.676 42.510 -1.667 0.000 2.322 394 c HN 0.604 nan 8.230 nan 0.000 0.500 395 T N -0.436 113.796 114.554 -0.536 0.000 2.888 395 T HA 0.680 5.031 4.350 0.000 0.000 0.284 395 T C -0.681 173.732 174.700 -0.478 0.000 1.017 395 T CA -0.344 61.514 62.100 -0.405 0.000 1.022 395 T CB 0.828 69.602 68.868 -0.157 0.000 1.013 395 T HN 0.561 nan 8.240 nan 0.000 0.465 396 F N 1.696 121.514 119.950 -0.219 0.000 2.418 396 F HA 0.358 4.885 4.527 0.000 0.000 0.341 396 F C 1.670 177.280 175.800 -0.316 0.000 1.120 396 F CA -1.098 56.755 58.000 -0.245 0.000 1.232 396 F CB 0.635 39.490 39.000 -0.242 0.000 1.175 396 F HN 0.672 nan 8.300 nan 0.000 0.569 397 I N -1.380 119.062 120.570 -0.214 0.000 3.968 397 I HA 0.255 4.425 4.170 0.000 0.000 0.328 397 I C -0.006 175.934 176.117 -0.295 0.000 1.290 397 I CA 0.084 61.062 61.300 -0.537 0.000 1.163 397 I CB -0.035 37.427 38.000 -0.896 0.000 1.024 397 I HN 0.499 nan 8.210 nan 0.000 0.413 398 T N -0.039 114.395 114.554 -0.200 0.000 2.909 398 T HA 0.710 5.061 4.350 0.000 0.000 0.299 398 T C -0.670 173.618 174.700 -0.687 0.000 1.073 398 T CA -0.739 61.211 62.100 -0.250 0.000 0.999 398 T CB 2.548 71.358 68.868 -0.098 0.000 1.098 398 T HN 0.457 nan 8.240 nan 0.000 0.477 399 K N 0.056 119.954 120.400 -0.836 0.000 2.469 399 K HA 0.935 5.256 4.320 0.000 0.000 0.268 399 K C -0.167 175.813 176.600 -1.032 0.000 1.027 399 K CA -0.743 54.813 56.287 -1.218 0.000 0.893 399 K CB 1.448 33.565 32.500 -0.638 0.000 1.460 399 K HN 1.557 nan 8.250 nan 0.000 0.449 400 G N -0.340 107.923 108.800 -0.895 0.000 2.392 400 G HA2 0.034 3.994 3.960 0.000 0.000 0.677 400 G HA3 0.034 3.994 3.960 0.000 0.000 0.677 400 G C -0.418 173.933 174.900 -0.915 0.000 1.334 400 G CA -0.418 44.287 45.100 -0.658 0.000 0.961 400 G HN 1.167 nan 8.290 nan 0.000 0.616 401 T N -0.509 113.644 114.554 -0.668 0.000 4.099 401 T HA 0.508 4.859 4.350 0.000 0.000 0.223 401 T C 0.371 174.742 174.700 -0.548 0.000 0.968 401 T CA 0.840 62.303 62.100 -1.062 0.000 0.966 401 T CB -1.005 67.585 68.868 -0.462 0.000 1.328 401 T HN 1.549 nan 8.240 nan 0.000 0.783 402 W N -0.618 120.368 121.300 -0.524 0.000 2.959 402 W HA 0.666 5.326 4.660 0.000 0.000 0.358 402 W C -1.398 175.060 176.519 -0.102 0.000 1.228 402 W CA -1.031 56.224 57.345 -0.151 0.000 1.183 402 W CB 0.734 30.128 29.460 -0.109 0.000 1.467 402 W HN 0.105 nan 8.180 nan 0.000 0.578 403 E N 1.008 121.362 120.200 0.256 0.000 2.266 403 E HA 0.428 4.778 4.350 0.000 0.000 0.268 403 E C -0.899 175.784 176.600 0.138 0.000 0.879 403 E CA -1.097 55.287 56.400 -0.027 0.000 0.762 403 E CB 3.375 33.118 29.700 0.070 0.000 1.199 403 E HN 0.176 nan 8.360 nan 0.000 0.422 404 V N 4.439 124.294 119.914 -0.099 0.000 2.555 404 V HA 0.004 4.125 4.120 0.000 0.000 0.286 404 V C 1.303 177.472 176.094 0.125 0.000 1.044 404 V CA 0.015 62.355 62.300 0.066 0.000 1.026 404 V CB 0.547 32.286 31.823 -0.139 0.000 0.981 404 V HN 0.702 nan 8.190 nan 0.000 0.480 405 I N 2.733 123.420 120.570 0.196 0.000 2.429 405 I HA 0.283 4.453 4.170 0.000 0.000 0.247 405 I C 1.093 177.335 176.117 0.208 0.000 1.099 405 I CA 1.245 62.666 61.300 0.200 0.000 1.422 405 I CB -0.725 37.344 38.000 0.113 0.000 1.112 405 I HN 0.760 nan 8.210 nan 0.000 0.430 406 G N 0.899 109.826 108.800 0.211 0.000 2.702 406 G HA2 0.539 4.499 3.960 0.000 0.000 0.296 406 G HA3 0.539 4.499 3.960 0.000 0.000 0.296 406 G C -1.322 173.701 174.900 0.206 0.000 1.463 406 G CA -0.547 44.679 45.100 0.211 0.000 0.890 406 G HN -0.026 nan 8.290 nan 0.000 0.534 407 I N 1.784 122.442 120.570 0.148 0.000 2.352 407 I HA 0.238 4.408 4.170 0.000 0.000 0.290 407 I C 0.871 176.940 176.117 -0.080 0.000 1.036 407 I CA -0.421 60.876 61.300 -0.004 0.000 1.336 407 I CB 1.564 39.442 38.000 -0.203 0.000 1.407 407 I HN 0.506 nan 8.210 nan 0.000 0.497 408 E N 5.087 125.292 120.200 0.008 0.000 2.290 408 E HA 0.329 4.679 4.350 0.000 0.000 0.197 408 E C 0.209 176.761 176.600 -0.079 0.000 0.948 408 E CA 0.232 56.677 56.400 0.075 0.000 0.895 408 E CB 0.717 30.564 29.700 0.246 0.000 0.865 408 E HN 0.655 nan 8.360 nan 0.000 0.486 409 A N 0.956 123.640 122.820 -0.226 0.000 2.604 409 A HA 0.650 4.970 4.320 0.000 0.000 0.295 409 A C -1.589 175.909 177.584 -0.143 0.000 1.067 409 A CA -0.816 51.012 52.037 -0.349 0.000 0.683 409 A CB 1.122 19.465 19.000 -1.096 0.000 1.281 409 A HN 0.139 nan 8.150 nan 0.000 0.407 410 L N 0.438 121.625 121.223 -0.061 0.000 2.441 410 L HA 0.863 5.203 4.340 0.000 0.000 0.270 410 L C -0.178 176.732 176.870 0.067 0.000 0.973 410 L CA -0.241 54.612 54.840 0.023 0.000 0.842 410 L CB 1.881 43.985 42.059 0.076 0.000 1.239 410 L HN 0.870 nan 8.230 nan 0.000 0.406 411 T N -0.606 114.002 114.554 0.090 0.000 2.897 411 T HA 0.330 4.681 4.350 0.000 0.000 0.278 411 T C 1.178 175.936 174.700 0.097 0.000 0.981 411 T CA -0.088 62.072 62.100 0.101 0.000 0.973 411 T CB 1.424 70.376 68.868 0.140 0.000 1.092 411 T HN 0.783 nan 8.240 nan 0.000 0.543 412 S N -0.607 115.147 115.700 0.091 0.000 2.653 412 S HA -0.002 4.469 4.470 0.000 0.000 0.233 412 S C 0.363 174.981 174.600 0.030 0.000 0.970 412 S CA 0.473 58.718 58.200 0.075 0.000 0.947 412 S CB -0.430 62.813 63.200 0.072 0.000 0.771 412 S HN 0.758 nan 8.310 nan 0.000 0.538 413 D N -1.598 118.812 120.400 0.016 0.000 2.266 413 D HA 0.238 4.878 4.640 0.000 0.000 0.304 413 D C -0.671 175.422 176.300 -0.345 0.000 1.080 413 D CA 0.202 54.132 54.000 -0.117 0.000 0.850 413 D CB 0.529 41.312 40.800 -0.029 0.000 1.515 413 D HN 0.388 nan 8.370 nan 0.000 0.531 414 Y N 0.247 120.491 120.300 -0.093 0.000 2.609 414 Y HA 0.502 5.052 4.550 0.000 0.000 0.342 414 Y C -0.813 174.921 175.900 -0.277 0.000 1.058 414 Y CA -1.040 56.922 58.100 -0.230 0.000 1.055 414 Y CB 2.576 40.822 38.460 -0.357 0.000 1.292 414 Y HN -0.253 nan 8.280 nan 0.000 0.476 415 L N 2.969 124.062 121.223 -0.217 0.000 2.406 415 L HA 0.487 4.827 4.340 0.000 0.000 0.272 415 L C -2.019 174.694 176.870 -0.262 0.000 0.980 415 L CA -0.703 53.986 54.840 -0.251 0.000 0.831 415 L CB 0.885 42.706 42.059 -0.396 0.000 1.253 415 L HN 0.686 nan 8.230 nan 0.000 0.406 416 Y N 5.648 125.879 120.300 -0.115 0.000 2.330 416 Y HA 0.547 5.097 4.550 0.000 0.000 0.336 416 Y C -0.091 175.825 175.900 0.027 0.000 1.036 416 Y CA -0.315 57.721 58.100 -0.107 0.000 1.125 416 Y CB 1.492 39.803 38.460 -0.249 0.000 1.194 416 Y HN 0.569 nan 8.280 nan 0.000 0.469 417 Y N 0.123 120.491 120.300 0.114 0.000 2.655 417 Y HA 0.837 5.387 4.550 0.000 0.000 0.336 417 Y C -1.770 174.224 175.900 0.158 0.000 1.154 417 Y CA -2.003 56.161 58.100 0.106 0.000 1.055 417 Y CB 1.165 39.663 38.460 0.065 0.000 1.295 417 Y HN 0.396 nan 8.280 nan 0.000 0.465 418 I N 2.455 123.213 120.570 0.312 0.000 2.530 418 I HA 0.684 4.855 4.170 0.000 0.000 0.297 418 I C -0.311 176.020 176.117 0.357 0.000 1.011 418 I CA -0.548 60.880 61.300 0.214 0.000 1.107 418 I CB 2.180 40.250 38.000 0.116 0.000 1.285 418 I HN 0.904 nan 8.210 nan 0.000 0.436 419 S N 2.716 118.592 115.700 0.294 0.000 2.776 419 S HA 0.443 4.913 4.470 0.000 0.000 0.292 419 S C -0.766 173.901 174.600 0.112 0.000 1.187 419 S CA -0.753 57.600 58.200 0.254 0.000 0.834 419 S CB 1.731 65.124 63.200 0.320 0.000 1.199 419 S HN 0.667 nan 8.310 nan 0.000 0.514 420 N N -0.609 118.143 118.700 0.085 0.000 2.416 420 N HA 0.184 4.925 4.740 0.000 0.000 0.267 420 N C 0.402 175.875 175.510 -0.062 0.000 1.294 420 N CA -0.289 52.761 53.050 -0.000 0.000 0.891 420 N CB 0.321 38.793 38.487 -0.024 0.000 1.238 420 N HN 0.794 nan 8.380 nan 0.000 0.508 421 E N 0.097 120.118 120.200 -0.299 0.000 2.107 421 E HA -0.137 4.213 4.350 0.000 0.000 0.191 421 E C -0.415 176.039 176.600 -0.243 0.000 0.982 421 E CA 0.124 56.122 56.400 -0.669 0.000 0.809 421 E CB -0.053 28.593 29.700 -1.757 0.000 0.756 421 E HN 0.492 nan 8.360 nan 0.000 0.459 422 Y N 1.902 122.086 120.300 -0.192 0.000 2.804 422 Y HA -0.167 4.383 4.550 0.000 0.000 0.338 422 Y C 0.242 176.095 175.900 -0.077 0.000 1.252 422 Y CA 0.735 58.776 58.100 -0.098 0.000 1.576 422 Y CB 0.064 38.491 38.460 -0.055 0.000 1.223 422 Y HN 0.096 nan 8.280 nan 0.000 0.536 423 K N 3.061 123.240 120.400 -0.369 0.000 3.349 423 K HA -0.245 4.075 4.320 0.000 0.000 0.310 423 K C 0.675 177.222 176.600 -0.088 0.000 1.267 423 K CA 0.709 56.826 56.287 -0.283 0.000 0.920 423 K CB -1.940 30.348 32.500 -0.353 0.000 1.240 423 K HN 1.188 nan 8.250 nan 0.000 0.453 424 G N 0.892 109.642 108.800 -0.083 0.000 2.295 424 G HA2 -0.316 3.644 3.960 0.000 0.000 0.287 424 G HA3 -0.316 3.644 3.960 0.000 0.000 0.287 424 G C -0.071 174.791 174.900 -0.064 0.000 1.055 424 G CA 0.728 45.812 45.100 -0.025 0.000 0.922 424 G HN 0.296 nan 8.290 nan 0.000 0.503 425 M N -0.276 119.203 119.600 -0.201 0.000 2.047 425 M HA 0.247 4.728 4.480 0.000 0.000 0.342 425 M C -1.403 174.619 176.300 -0.465 0.000 1.058 425 M CA -2.069 52.919 55.300 -0.519 0.000 0.991 425 M CB 1.871 34.254 32.600 -0.361 0.000 1.474 425 M HN -0.132 nan 8.290 nan 0.000 0.419 426 P HA -0.104 nan 4.420 nan 0.000 0.218 426 P C 1.198 178.333 177.300 -0.276 0.000 1.148 426 P CA 1.117 64.008 63.100 -0.348 0.000 0.822 426 P CB 0.204 31.669 31.700 -0.392 0.000 0.784 427 G N -1.246 107.337 108.800 -0.362 0.000 3.233 427 G HA2 0.288 4.248 3.960 0.000 0.000 0.227 427 G HA3 0.288 4.248 3.960 0.000 0.000 0.227 427 G C 0.594 175.475 174.900 -0.031 0.000 1.175 427 G CA 0.070 45.089 45.100 -0.135 0.000 0.781 427 G HN 0.372 nan 8.290 nan 0.000 0.542 428 G N -0.144 108.580 108.800 -0.128 0.000 2.441 428 G HA2 0.643 4.603 3.960 0.000 0.000 0.334 428 G HA3 0.643 4.603 3.960 0.000 0.000 0.334 428 G C -0.813 173.944 174.900 -0.238 0.000 1.161 428 G CA -0.782 44.267 45.100 -0.086 0.000 0.935 428 G HN 0.082 nan 8.290 nan 0.000 0.488 429 R N 0.644 120.960 120.500 -0.306 0.000 2.538 429 R HA 0.393 4.733 4.340 0.000 0.000 0.292 429 R C -1.222 175.039 176.300 -0.064 0.000 1.008 429 R CA -0.772 55.145 56.100 -0.305 0.000 0.896 429 R CB 2.007 31.904 30.300 -0.672 0.000 1.187 429 R HN 0.687 nan 8.270 nan 0.000 0.440 430 N N 0.577 119.247 118.700 -0.051 0.000 2.357 430 N HA 0.419 5.159 4.740 0.000 0.000 0.284 430 N C -1.489 173.847 175.510 -0.291 0.000 1.236 430 N CA -0.798 52.125 53.050 -0.211 0.000 0.774 430 N CB 2.079 40.323 38.487 -0.406 0.000 1.534 430 N HN 0.226 nan 8.380 nan 0.000 0.478 431 L N 2.306 123.224 121.223 -0.509 0.000 2.276 431 L HA 0.481 4.821 4.340 0.000 0.000 0.286 431 L C -1.598 174.874 176.870 -0.663 0.000 1.061 431 L CA -0.064 54.516 54.840 -0.434 0.000 0.807 431 L CB -0.150 41.683 42.059 -0.377 0.000 1.177 431 L HN 0.500 nan 8.230 nan 0.000 0.429 432 Y N 3.899 123.861 120.300 -0.562 0.000 2.468 432 Y HA 0.518 5.068 4.550 0.000 0.000 0.342 432 Y C -0.135 175.430 175.900 -0.558 0.000 1.021 432 Y CA -0.678 57.032 58.100 -0.650 0.000 1.079 432 Y CB 1.733 39.597 38.460 -0.993 0.000 1.226 432 Y HN 0.441 nan 8.280 nan 0.000 0.460 433 K N 3.796 124.044 120.400 -0.253 0.000 2.358 433 K HA 0.588 4.908 4.320 0.000 0.000 0.260 433 K C -1.781 174.764 176.600 -0.092 0.000 0.956 433 K CA -0.542 55.531 56.287 -0.356 0.000 0.834 433 K CB 1.298 33.528 32.500 -0.450 0.000 1.102 433 K HN 0.803 nan 8.250 nan 0.000 0.431 434 I N 3.305 123.870 120.570 -0.008 0.000 2.465 434 I HA 0.196 4.366 4.170 0.000 0.000 0.291 434 I C -0.705 175.455 176.117 0.072 0.000 1.014 434 I CA -0.711 60.659 61.300 0.116 0.000 1.093 434 I CB 1.896 40.008 38.000 0.186 0.000 1.267 434 I HN 0.687 nan 8.210 nan 0.000 0.431 435 Q N 5.055 124.861 119.800 0.010 0.000 2.288 435 Q HA 0.161 4.501 4.340 0.000 0.000 0.258 435 Q C 0.270 176.120 176.000 -0.250 0.000 0.957 435 Q CA -0.458 55.138 55.803 -0.345 0.000 0.919 435 Q CB 1.443 29.998 28.738 -0.306 0.000 1.185 435 Q HN 0.757 nan 8.270 nan 0.000 0.408 436 L N 2.803 123.820 121.223 -0.344 0.000 2.079 436 L HA -0.233 4.107 4.340 0.000 0.000 0.210 436 L C 2.342 179.002 176.870 -0.349 0.000 1.081 436 L CA 2.161 56.872 54.840 -0.216 0.000 0.752 436 L CB -0.620 41.327 42.059 -0.188 0.000 0.896 436 L HN 0.812 nan 8.230 nan 0.000 0.433 437 S N -2.504 112.985 115.700 -0.352 0.000 2.406 437 S HA -0.049 4.421 4.470 0.000 0.000 0.228 437 S C 0.776 175.124 174.600 -0.419 0.000 1.020 437 S CA 0.547 58.546 58.200 -0.335 0.000 0.965 437 S CB -0.036 63.023 63.200 -0.234 0.000 0.798 437 S HN 0.396 nan 8.310 nan 0.000 0.488 438 D N -0.577 119.583 120.400 -0.400 0.000 2.736 438 D HA 0.311 4.951 4.640 0.000 0.000 0.243 438 D C -0.732 175.439 176.300 -0.215 0.000 1.304 438 D CA -0.681 53.117 54.000 -0.336 0.000 0.934 438 D CB 1.012 41.708 40.800 -0.174 0.000 1.382 438 D HN 0.020 nan 8.370 nan 0.000 0.571 439 Y N 1.147 121.412 120.300 -0.060 0.000 2.561 439 Y HA -0.049 4.501 4.550 0.000 0.000 0.291 439 Y C 2.524 178.417 175.900 -0.012 0.000 1.141 439 Y CA 1.115 59.190 58.100 -0.041 0.000 1.303 439 Y CB -0.555 37.882 38.460 -0.039 0.000 1.015 439 Y HN 0.446 nan 8.280 nan 0.000 0.547 440 T N -2.389 112.228 114.554 0.105 0.000 2.951 440 T HA -0.073 4.277 4.350 0.000 0.000 0.268 440 T C 0.897 175.635 174.700 0.065 0.000 1.073 440 T CA 0.412 62.555 62.100 0.072 0.000 1.134 440 T CB -0.198 68.691 68.868 0.035 0.000 0.884 440 T HN 0.064 nan 8.240 nan 0.000 0.479 441 K N 2.089 122.521 120.400 0.053 0.000 2.220 441 K HA 0.429 4.750 4.320 0.000 0.000 0.283 441 K C -1.295 175.359 176.600 0.089 0.000 1.098 441 K CA -0.291 56.029 56.287 0.056 0.000 0.928 441 K CB 0.640 33.162 32.500 0.036 0.000 1.214 441 K HN 0.173 nan 8.250 nan 0.000 0.442 442 V N 2.396 122.364 119.914 0.090 0.000 2.487 442 V HA 0.270 4.390 4.120 0.000 0.000 0.298 442 V C -0.184 175.953 176.094 0.072 0.000 1.028 442 V CA -0.921 61.444 62.300 0.108 0.000 0.860 442 V CB 1.872 33.785 31.823 0.148 0.000 0.991 442 V HN 0.552 nan 8.190 nan 0.000 0.427 443 T N 3.222 117.788 114.554 0.020 0.000 2.791 443 T HA 0.234 4.584 4.350 0.000 0.000 0.288 443 T C -0.284 174.314 174.700 -0.170 0.000 0.999 443 T CA -0.244 61.817 62.100 -0.065 0.000 0.952 443 T CB 1.132 69.941 68.868 -0.100 0.000 0.938 443 T HN 0.799 nan 8.240 nan 0.000 0.444 444 C N 5.587 124.725 119.300 -0.269 0.000 2.464 444 C HA 0.368 4.828 4.460 0.000 0.000 0.370 444 C C 1.720 176.404 174.990 -0.509 0.000 1.267 444 C CA -0.524 58.116 59.018 -0.630 0.000 1.781 444 C CB -1.927 25.305 27.740 -0.846 0.000 2.431 444 C HN 0.992 nan 8.230 nan 0.000 0.556 445 L N 4.564 125.473 121.223 -0.522 0.000 2.375 445 L HA 0.056 4.396 4.340 0.000 0.000 0.215 445 L C 2.246 178.812 176.870 -0.508 0.000 1.108 445 L CA 1.052 55.645 54.840 -0.412 0.000 0.830 445 L CB -0.185 41.673 42.059 -0.335 0.000 0.959 445 L HN 0.882 nan 8.230 nan 0.000 0.457 446 S N -3.206 112.079 115.700 -0.692 0.000 2.559 446 S HA -0.013 4.457 4.470 0.000 0.000 0.226 446 S C 1.857 176.014 174.600 -0.738 0.000 1.030 446 S CA -0.187 57.469 58.200 -0.906 0.000 0.956 446 S CB -0.330 61.979 63.200 -1.484 0.000 0.900 446 S HN 0.283 nan 8.310 nan 0.000 0.510 447 C N 2.170 121.039 119.300 -0.717 0.000 2.385 447 C HA -0.024 4.436 4.460 0.000 0.000 0.275 447 C C 1.897 176.635 174.990 -0.419 0.000 1.207 447 C CA 1.297 59.839 59.018 -0.793 0.000 1.760 447 C CB -1.007 26.036 27.740 -1.162 0.000 2.051 447 C HN 0.693 nan 8.230 nan 0.000 0.467 448 E N -0.641 119.386 120.200 -0.288 0.000 2.869 448 E HA 0.234 4.584 4.350 0.000 0.000 0.207 448 E C 1.240 177.800 176.600 -0.067 0.000 0.986 448 E CA -0.223 56.111 56.400 -0.109 0.000 1.131 448 E CB 0.217 29.869 29.700 -0.079 0.000 1.098 448 E HN 0.552 nan 8.360 nan 0.000 0.459 449 L N 0.196 121.377 121.223 -0.069 0.000 2.007 449 L HA 0.042 4.382 4.340 0.000 0.000 0.205 449 L C 0.954 177.845 176.870 0.036 0.000 1.073 449 L CA 0.756 55.590 54.840 -0.010 0.000 0.744 449 L CB 0.093 42.158 42.059 0.010 0.000 0.898 449 L HN 0.130 nan 8.230 nan 0.000 0.435 450 N N -0.725 118.020 118.700 0.075 0.000 2.607 450 N HA 0.165 4.905 4.740 0.000 0.000 0.271 450 N C -2.163 173.393 175.510 0.077 0.000 1.142 450 N CA -1.459 51.625 53.050 0.057 0.000 0.810 450 N CB 1.661 40.170 38.487 0.035 0.000 1.306 450 N HN -0.154 nan 8.380 nan 0.000 0.536 451 P HA -0.040 nan 4.420 nan 0.000 0.225 451 P C 0.827 178.181 177.300 0.089 0.000 1.156 451 P CA 0.861 64.031 63.100 0.117 0.000 0.787 451 P CB 0.937 32.712 31.700 0.124 0.000 0.802 452 E N 0.635 120.866 120.200 0.052 0.000 2.086 452 E HA -0.128 4.222 4.350 0.000 0.000 0.190 452 E C 2.204 178.814 176.600 0.016 0.000 0.975 452 E CA 0.646 57.065 56.400 0.032 0.000 0.813 452 E CB 0.067 29.778 29.700 0.018 0.000 0.768 452 E HN 0.115 nan 8.360 nan 0.000 0.457 453 R N -1.186 119.314 120.500 -0.001 0.000 2.290 453 R HA 0.224 4.564 4.340 0.000 0.000 0.197 453 R C -0.284 175.981 176.300 -0.058 0.000 0.913 453 R CA 0.178 56.257 56.100 -0.036 0.000 1.040 453 R CB 0.163 30.425 30.300 -0.063 0.000 0.992 453 R HN -0.044 nan 8.270 nan 0.000 0.500 454 c N 1.369 119.950 118.600 -0.032 0.000 2.344 454 c HA 0.436 5.006 4.570 0.000 0.000 0.326 454 c C -0.126 173.979 174.090 0.027 0.000 1.201 454 c CA -0.534 55.733 56.329 -0.102 0.000 1.410 454 c CB 1.280 43.722 42.510 -0.113 0.000 2.070 454 c HN 0.613 nan 8.230 nan 0.000 0.445 455 Q N 0.733 120.535 119.800 0.004 0.000 2.081 455 Q HA 0.174 4.514 4.340 0.000 0.000 0.220 455 Q C -1.024 175.057 176.000 0.136 0.000 0.775 455 Q CA 0.047 55.927 55.803 0.128 0.000 0.983 455 Q CB 1.462 30.276 28.738 0.126 0.000 1.188 455 Q HN 0.774 nan 8.270 nan 0.000 0.458 456 Y N 0.416 120.634 120.300 -0.137 0.000 2.333 456 Y HA 0.399 4.949 4.550 0.000 0.000 0.324 456 Y C -1.689 174.078 175.900 -0.222 0.000 1.033 456 Y CA -1.054 56.986 58.100 -0.100 0.000 1.224 456 Y CB 0.788 39.197 38.460 -0.085 0.000 1.120 456 Y HN -0.086 nan 8.280 nan 0.000 0.457 457 Y N 2.510 122.786 120.300 -0.041 0.000 2.468 457 Y HA 0.645 5.195 4.550 0.000 0.000 0.342 457 Y C 0.011 175.898 175.900 -0.021 0.000 1.021 457 Y CA -0.636 57.449 58.100 -0.025 0.000 1.079 457 Y CB 2.342 40.745 38.460 -0.094 0.000 1.226 457 Y HN 0.512 nan 8.280 nan 0.000 0.460 458 S N 1.387 117.209 115.700 0.202 0.000 2.548 458 S HA 0.817 5.288 4.470 0.000 0.000 0.286 458 S C -1.746 172.948 174.600 0.156 0.000 1.098 458 S CA -0.723 57.576 58.200 0.164 0.000 0.930 458 S CB 1.727 65.035 63.200 0.179 0.000 1.070 458 S HN 0.556 nan 8.310 nan 0.000 0.480 459 V N 1.274 121.269 119.914 0.134 0.000 2.919 459 V HA 0.893 5.013 4.120 0.000 0.000 0.316 459 V C -0.715 175.451 176.094 0.121 0.000 1.077 459 V CA -0.376 61.968 62.300 0.074 0.000 0.977 459 V CB 2.326 34.118 31.823 -0.052 0.000 1.039 459 V HN 1.135 nan 8.190 nan 0.000 0.441 460 S N 4.145 119.886 115.700 0.069 0.000 2.775 460 S HA 0.617 5.088 4.470 0.000 0.000 0.277 460 S C -1.185 173.511 174.600 0.160 0.000 1.156 460 S CA -0.436 57.900 58.200 0.227 0.000 1.081 460 S CB 0.332 63.730 63.200 0.330 0.000 1.054 460 S HN 0.462 nan 8.310 nan 0.000 0.482 461 F N 2.700 122.710 119.950 0.101 0.000 2.378 461 F HA 0.513 5.040 4.527 0.000 0.000 0.325 461 F C 1.477 176.880 175.800 -0.661 0.000 1.097 461 F CA -0.192 57.705 58.000 -0.171 0.000 1.079 461 F CB 1.431 40.326 39.000 -0.176 0.000 1.240 461 F HN 0.644 nan 8.300 nan 0.000 0.519 462 S N 0.942 116.129 115.700 -0.855 0.000 2.546 462 S HA 0.245 4.715 4.470 0.000 0.000 0.265 462 S C 1.224 175.627 174.600 -0.327 0.000 1.190 462 S CA -0.450 57.082 58.200 -1.113 0.000 1.014 462 S CB 0.656 63.166 63.200 -1.151 0.000 1.087 462 S HN 0.556 nan 8.310 nan 0.000 0.525 463 K N 0.614 120.911 120.400 -0.171 0.000 1.969 463 K HA 0.018 4.338 4.320 0.000 0.000 0.216 463 K C 1.809 178.391 176.600 -0.029 0.000 1.048 463 K CA 1.942 58.213 56.287 -0.027 0.000 0.948 463 K CB -0.703 31.815 32.500 0.030 0.000 0.726 463 K HN 0.677 nan 8.250 nan 0.000 0.442 464 E N -0.957 119.211 120.200 -0.053 0.000 2.465 464 E HA 0.323 4.674 4.350 0.000 0.000 0.191 464 E C -0.634 175.916 176.600 -0.083 0.000 1.053 464 E CA 0.617 56.992 56.400 -0.042 0.000 0.869 464 E CB 0.528 30.215 29.700 -0.022 0.000 0.977 464 E HN 0.377 nan 8.360 nan 0.000 0.483 465 A N 0.660 123.413 122.820 -0.112 0.000 2.876 465 A HA -0.261 4.059 4.320 0.000 0.000 0.287 465 A C 1.332 178.883 177.584 -0.055 0.000 1.455 465 A CA 0.829 52.835 52.037 -0.051 0.000 0.744 465 A CB -1.661 17.209 19.000 -0.216 0.000 1.041 465 A HN 0.134 nan 8.150 nan 0.000 0.500 466 K N -1.396 118.885 120.400 -0.198 0.000 2.228 466 K HA 0.035 4.355 4.320 0.000 0.000 0.202 466 K C -0.177 176.075 176.600 -0.581 0.000 1.051 466 K CA 1.371 57.413 56.287 -0.409 0.000 0.960 466 K CB 0.052 32.197 32.500 -0.593 0.000 0.743 466 K HN 0.790 nan 8.250 nan 0.000 0.458 467 Y N 0.366 120.596 120.300 -0.117 0.000 2.346 467 Y HA 0.209 4.759 4.550 0.000 0.000 0.332 467 Y C -0.560 175.255 175.900 -0.141 0.000 0.985 467 Y CA -1.765 56.281 58.100 -0.091 0.000 1.112 467 Y CB 1.139 39.627 38.460 0.046 0.000 1.170 467 Y HN -0.043 nan 8.280 nan 0.000 0.447 468 Y N 0.329 120.566 120.300 -0.104 0.000 2.377 468 Y HA 0.580 5.130 4.550 0.000 0.000 0.339 468 Y C -0.467 175.393 175.900 -0.067 0.000 1.011 468 Y CA -1.523 56.328 58.100 -0.415 0.000 1.093 468 Y CB 1.228 38.878 38.460 -1.348 0.000 1.201 468 Y HN 0.589 nan 8.280 nan 0.000 0.455 469 Q N 4.186 124.059 119.800 0.121 0.000 2.256 469 Q HA 0.455 4.795 4.340 0.000 0.000 0.254 469 Q C -1.660 174.421 176.000 0.134 0.000 0.916 469 Q CA -0.646 55.226 55.803 0.114 0.000 0.932 469 Q CB 1.090 29.908 28.738 0.133 0.000 1.207 469 Q HN 0.988 nan 8.270 nan 0.000 0.426 470 L N 4.531 125.854 121.223 0.167 0.000 2.287 470 L HA 0.489 4.829 4.340 0.000 0.000 0.287 470 L C -0.096 176.853 176.870 0.132 0.000 1.022 470 L CA -0.518 54.446 54.840 0.206 0.000 0.814 470 L CB 1.464 43.690 42.059 0.278 0.000 1.217 470 L HN 0.564 nan 8.230 nan 0.000 0.420 471 R N 3.340 123.890 120.500 0.084 0.000 2.229 471 R HA 0.362 4.702 4.340 0.000 0.000 0.328 471 R C -1.004 175.153 176.300 -0.238 0.000 1.009 471 R CA -0.383 55.608 56.100 -0.183 0.000 0.864 471 R CB 1.257 31.519 30.300 -0.063 0.000 1.085 471 R HN 0.665 nan 8.270 nan 0.000 0.453 472 c N 4.192 122.500 118.600 -0.487 0.000 2.264 472 c HA 0.400 4.970 4.570 0.000 0.000 0.324 472 c C 0.810 174.657 174.090 -0.404 0.000 1.267 472 c CA -0.430 55.539 56.329 -0.600 0.000 1.618 472 c CB 0.622 42.750 42.510 -0.636 0.000 2.278 472 c HN 1.037 nan 8.230 nan 0.000 0.499 473 S N 3.198 118.755 115.700 -0.239 0.000 2.524 473 S HA 0.456 4.926 4.470 0.000 0.000 0.216 473 S C 0.790 175.328 174.600 -0.102 0.000 0.987 473 S CA 0.566 58.679 58.200 -0.144 0.000 0.909 473 S CB 0.198 63.317 63.200 -0.135 0.000 0.781 473 S HN 1.296 nan 8.310 nan 0.000 0.521 474 G N 0.986 109.718 108.800 -0.113 0.000 2.324 474 G HA2 0.287 4.247 3.960 0.000 0.000 0.293 474 G HA3 0.287 4.247 3.960 0.000 0.000 0.293 474 G C -3.054 171.823 174.900 -0.039 0.000 1.297 474 G CA -0.728 44.349 45.100 -0.039 0.000 0.853 474 G HN -0.161 nan 8.290 nan 0.000 0.535 475 P HA 0.138 nan 4.420 nan 0.000 0.222 475 P C 1.504 178.835 177.300 0.052 0.000 1.153 475 P CA 1.470 64.601 63.100 0.051 0.000 0.798 475 P CB 0.115 31.844 31.700 0.047 0.000 0.796 476 G N -0.186 108.580 108.800 -0.055 0.000 2.525 476 G HA2 0.298 4.258 3.960 0.000 0.000 0.276 476 G HA3 0.298 4.258 3.960 0.000 0.000 0.276 476 G C -0.516 174.150 174.900 -0.391 0.000 1.388 476 G CA -0.472 44.527 45.100 -0.170 0.000 1.050 476 G HN -0.002 nan 8.290 nan 0.000 0.520 477 L N 1.209 122.111 121.223 -0.534 0.000 2.485 477 L HA 0.213 4.553 4.340 0.000 0.000 0.275 477 L C -1.789 174.883 176.870 -0.330 0.000 1.207 477 L CA -0.743 53.709 54.840 -0.647 0.000 0.855 477 L CB 0.317 42.093 42.059 -0.472 0.000 1.114 477 L HN 0.230 nan 8.230 nan 0.000 0.485 478 P HA 0.125 nan 4.420 nan 0.000 0.266 478 P C -1.073 176.131 177.300 -0.161 0.000 1.195 478 P CA -0.117 62.875 63.100 -0.180 0.000 0.768 478 P CB 0.640 32.320 31.700 -0.033 0.000 0.838 479 L N 4.407 125.443 121.223 -0.311 0.000 2.438 479 L HA 0.474 4.814 4.340 0.000 0.000 0.270 479 L C -1.816 174.859 176.870 -0.325 0.000 0.972 479 L CA -0.653 54.074 54.840 -0.189 0.000 0.831 479 L CB 1.149 43.128 42.059 -0.133 0.000 1.273 479 L HN 0.253 nan 8.230 nan 0.000 0.405 480 Y N 2.949 123.200 120.300 -0.081 0.000 2.334 480 Y HA 0.690 5.240 4.550 0.000 0.000 0.336 480 Y C 0.317 176.102 175.900 -0.192 0.000 0.960 480 Y CA -0.559 57.478 58.100 -0.104 0.000 1.164 480 Y CB 2.000 40.397 38.460 -0.106 0.000 1.155 480 Y HN 0.652 nan 8.280 nan 0.000 0.478 481 T N 1.549 116.080 114.554 -0.038 0.000 2.900 481 T HA 0.666 5.016 4.350 0.000 0.000 0.295 481 T C -1.205 173.329 174.700 -0.276 0.000 1.044 481 T CA -0.888 61.102 62.100 -0.184 0.000 0.995 481 T CB 1.789 70.570 68.868 -0.144 0.000 1.072 481 T HN 0.570 nan 8.240 nan 0.000 0.473 482 L N 2.768 123.725 121.223 -0.444 0.000 2.307 482 L HA 0.581 4.921 4.340 0.000 0.000 0.284 482 L C -0.588 175.897 176.870 -0.641 0.000 1.023 482 L CA -0.778 53.835 54.840 -0.379 0.000 0.810 482 L CB 0.921 42.856 42.059 -0.207 0.000 1.231 482 L HN 0.796 nan 8.230 nan 0.000 0.423 483 H N 1.778 120.611 119.070 -0.396 0.000 2.821 483 H HA 0.360 4.916 4.556 0.000 0.000 0.373 483 H C -0.736 174.350 175.328 -0.404 0.000 1.165 483 H CA -0.827 54.919 56.048 -0.503 0.000 1.154 483 H CB 2.190 31.399 29.762 -0.922 0.000 1.765 483 H HN 0.541 nan 8.280 nan 0.000 0.549 484 S N 0.180 115.836 115.700 -0.073 0.000 2.508 484 S HA 0.122 4.592 4.470 0.000 0.000 0.284 484 S C 1.154 175.749 174.600 -0.007 0.000 1.192 484 S CA -0.283 57.879 58.200 -0.064 0.000 1.070 484 S CB 1.538 64.716 63.200 -0.037 0.000 1.004 484 S HN 0.703 nan 8.310 nan 0.000 0.493 485 S N 2.740 118.461 115.700 0.034 0.000 2.461 485 S HA -0.117 4.353 4.470 0.000 0.000 0.228 485 S C 1.840 176.470 174.600 0.050 0.000 1.005 485 S CA 0.602 58.910 58.200 0.179 0.000 0.942 485 S CB -0.877 62.415 63.200 0.153 0.000 0.776 485 S HN 1.014 nan 8.310 nan 0.000 0.514 486 V N 3.538 123.432 119.914 -0.034 0.000 2.277 486 V HA -0.299 3.821 4.120 0.000 0.000 0.253 486 V C 1.200 177.286 176.094 -0.014 0.000 1.067 486 V CA 2.735 65.016 62.300 -0.032 0.000 1.047 486 V CB -0.939 30.850 31.823 -0.055 0.000 0.649 486 V HN 0.961 nan 8.190 nan 0.000 0.447 487 N N -2.475 116.221 118.700 -0.007 0.000 2.162 487 N HA 0.140 4.880 4.740 0.000 0.000 0.232 487 N C -0.777 174.734 175.510 0.001 0.000 1.361 487 N CA 0.248 53.292 53.050 -0.011 0.000 0.786 487 N CB 0.008 38.490 38.487 -0.010 0.000 1.290 487 N HN 0.484 nan 8.380 nan 0.000 0.505 488 D N 0.532 120.953 120.400 0.034 0.000 3.241 488 D HA -0.144 4.496 4.640 0.000 0.000 0.248 488 D C -1.019 175.306 176.300 0.041 0.000 1.093 488 D CA 0.832 54.870 54.000 0.062 0.000 0.940 488 D CB -0.778 40.049 40.800 0.045 0.000 0.980 488 D HN 0.599 nan 8.370 nan 0.000 0.421 489 K N 0.304 120.728 120.400 0.040 0.000 2.259 489 K HA 0.569 4.889 4.320 0.000 0.000 0.252 489 K C 0.753 177.375 176.600 0.036 0.000 0.936 489 K CA -0.838 55.468 56.287 0.031 0.000 0.810 489 K CB 2.028 34.530 32.500 0.003 0.000 1.143 489 K HN 0.163 nan 8.250 nan 0.000 0.427 490 G N 2.665 111.478 108.800 0.020 0.000 2.367 490 G HA2 0.124 4.084 3.960 0.000 0.000 0.280 490 G HA3 0.124 4.084 3.960 0.000 0.000 0.280 490 G C 0.760 175.568 174.900 -0.153 0.000 1.175 490 G CA -0.263 44.761 45.100 -0.126 0.000 1.001 490 G HN 0.567 nan 8.290 nan 0.000 0.437 491 L N 1.888 122.987 121.223 -0.207 0.000 2.007 491 L HA 0.198 4.538 4.340 0.000 0.000 0.205 491 L C 1.836 178.624 176.870 -0.137 0.000 1.073 491 L CA 1.214 55.977 54.840 -0.130 0.000 0.744 491 L CB -0.096 41.909 42.059 -0.090 0.000 0.898 491 L HN 0.751 nan 8.230 nan 0.000 0.435 492 R N -2.077 118.304 120.500 -0.199 0.000 2.741 492 R HA 0.368 4.708 4.340 0.000 0.000 0.274 492 R C -1.700 174.466 176.300 -0.224 0.000 1.029 492 R CA -0.841 55.155 56.100 -0.174 0.000 0.880 492 R CB 1.450 31.671 30.300 -0.131 0.000 1.264 492 R HN -0.266 nan 8.270 nan 0.000 0.465 493 V N 3.100 122.904 119.914 -0.183 0.000 2.348 493 V HA 0.195 4.315 4.120 0.000 0.000 0.270 493 V C 1.415 177.354 176.094 -0.259 0.000 1.037 493 V CA -0.454 61.734 62.300 -0.186 0.000 0.872 493 V CB 0.947 32.700 31.823 -0.117 0.000 1.002 493 V HN 0.633 nan 8.190 nan 0.000 0.464 494 L N 2.621 123.606 121.223 -0.397 0.000 2.072 494 L HA 0.170 4.510 4.340 0.000 0.000 0.205 494 L C 0.840 177.380 176.870 -0.551 0.000 1.079 494 L CA 1.043 55.420 54.840 -0.772 0.000 0.752 494 L CB 0.106 41.333 42.059 -1.386 0.000 0.906 494 L HN 0.675 nan 8.230 nan 0.000 0.436 495 E N -0.436 119.617 120.200 -0.246 0.000 2.397 495 E HA 0.090 4.440 4.350 0.000 0.000 0.293 495 E C -1.259 175.375 176.600 0.057 0.000 0.930 495 E CA -0.390 55.981 56.400 -0.047 0.000 0.793 495 E CB 1.073 30.773 29.700 -0.000 0.000 1.259 495 E HN 0.177 nan 8.360 nan 0.000 0.406 496 D N 2.754 123.169 120.400 0.026 0.000 2.469 496 D HA 0.180 4.820 4.640 0.000 0.000 0.213 496 D C -0.293 176.012 176.300 0.008 0.000 1.135 496 D CA -0.229 53.778 54.000 0.012 0.000 0.834 496 D CB 0.048 40.835 40.800 -0.022 0.000 1.009 496 D HN 0.415 nan 8.370 nan 0.000 0.507 497 N N 0.347 119.069 118.700 0.036 0.000 2.735 497 N HA -0.203 4.538 4.740 0.000 0.000 0.248 497 N C 0.853 176.365 175.510 0.002 0.000 1.083 497 N CA 0.936 54.003 53.050 0.027 0.000 0.703 497 N CB -1.315 37.181 38.487 0.015 0.000 1.005 497 N HN 0.504 nan 8.380 nan 0.000 0.550 498 S N -1.317 114.387 115.700 0.006 0.000 2.406 498 S HA 0.063 4.533 4.470 0.000 0.000 0.228 498 S C 2.110 176.723 174.600 0.021 0.000 1.020 498 S CA 0.737 58.939 58.200 0.003 0.000 0.965 498 S CB -0.034 63.166 63.200 0.001 0.000 0.798 498 S HN 0.502 nan 8.310 nan 0.000 0.488 499 A N 2.348 125.190 122.820 0.037 0.000 1.865 499 A HA -0.014 4.306 4.320 0.000 0.000 0.217 499 A C 2.242 179.870 177.584 0.074 0.000 1.191 499 A CA 1.773 53.842 52.037 0.054 0.000 0.623 499 A CB -1.015 18.021 19.000 0.060 0.000 0.826 499 A HN 0.530 nan 8.150 nan 0.000 0.444 500 L N 0.193 121.463 121.223 0.078 0.000 2.046 500 L HA -0.158 4.182 4.340 0.000 0.000 0.208 500 L C 2.019 178.926 176.870 0.062 0.000 1.077 500 L CA 2.660 57.564 54.840 0.106 0.000 0.747 500 L CB -0.646 41.477 42.059 0.105 0.000 0.896 500 L HN 0.517 nan 8.230 nan 0.000 0.432 501 D N -0.345 120.062 120.400 0.012 0.000 2.123 501 D HA -0.273 4.367 4.640 0.000 0.000 0.196 501 D C 2.074 178.379 176.300 0.008 0.000 0.992 501 D CA 1.269 55.258 54.000 -0.017 0.000 0.833 501 D CB 0.081 40.859 40.800 -0.036 0.000 0.954 501 D HN 0.398 nan 8.370 nan 0.000 0.455 502 K N -0.203 120.215 120.400 0.029 0.000 2.057 502 K HA -0.097 4.223 4.320 0.000 0.000 0.207 502 K C 2.435 179.072 176.600 0.062 0.000 1.049 502 K CA 0.697 57.007 56.287 0.040 0.000 0.931 502 K CB -0.042 32.485 32.500 0.044 0.000 0.714 502 K HN 0.204 nan 8.250 nan 0.000 0.440 503 M N 0.318 119.978 119.600 0.099 0.000 2.132 503 M HA -0.178 4.303 4.480 0.000 0.000 0.263 503 M C 1.943 178.295 176.300 0.086 0.000 1.065 503 M CA 1.049 56.449 55.300 0.167 0.000 1.122 503 M CB -0.170 32.621 32.600 0.318 0.000 1.365 503 M HN 0.086 nan 8.290 nan 0.000 0.411 504 L N 0.485 121.706 121.223 -0.003 0.000 2.265 504 L HA -0.176 4.164 4.340 0.000 0.000 0.215 504 L C 2.302 179.143 176.870 -0.048 0.000 1.117 504 L CA 1.689 56.468 54.840 -0.100 0.000 0.782 504 L CB -0.961 41.050 42.059 -0.081 0.000 0.914 504 L HN 0.368 nan 8.230 nan 0.000 0.441 505 Q N -1.185 118.611 119.800 -0.006 0.000 2.291 505 Q HA -0.167 4.173 4.340 0.000 0.000 0.206 505 Q C 1.625 177.637 176.000 0.019 0.000 0.976 505 Q CA 0.856 56.662 55.803 0.005 0.000 0.875 505 Q CB -0.155 28.591 28.738 0.014 0.000 0.927 505 Q HN 0.588 nan 8.270 nan 0.000 0.450 506 N N 0.115 118.835 118.700 0.033 0.000 2.398 506 N HA 0.020 4.760 4.740 0.000 0.000 0.188 506 N C -0.672 174.870 175.510 0.053 0.000 1.122 506 N CA 0.042 53.125 53.050 0.055 0.000 0.866 506 N CB 0.702 39.239 38.487 0.085 0.000 0.970 506 N HN -0.059 nan 8.380 nan 0.000 0.462 507 V N 1.439 121.361 119.914 0.014 0.000 2.513 507 V HA 0.213 4.333 4.120 0.000 0.000 0.299 507 V C -0.112 175.983 176.094 0.002 0.000 1.035 507 V CA -0.793 61.512 62.300 0.008 0.000 0.889 507 V CB 1.924 33.697 31.823 -0.083 0.000 0.988 507 V HN 0.029 nan 8.190 nan 0.000 0.440 508 Q N 4.273 124.091 119.800 0.031 0.000 2.431 508 Q HA 0.302 4.642 4.340 0.000 0.000 0.234 508 Q C -0.461 175.519 176.000 -0.034 0.000 1.203 508 Q CA -0.091 55.711 55.803 -0.002 0.000 0.902 508 Q CB 0.371 29.141 28.738 0.054 0.000 1.455 508 Q HN 0.523 nan 8.270 nan 0.000 0.515 509 M N 3.910 123.466 119.600 -0.073 0.000 2.274 509 M HA 0.366 4.846 4.480 0.000 0.000 0.344 509 M C -1.986 174.241 176.300 -0.122 0.000 1.161 509 M CA -2.510 52.734 55.300 -0.093 0.000 1.126 509 M CB 0.290 32.839 32.600 -0.085 0.000 1.522 509 M HN 0.323 nan 8.290 nan 0.000 0.461 510 P HA 0.221 nan 4.420 nan 0.000 0.274 510 P C -0.738 176.471 177.300 -0.151 0.000 1.256 510 P CA -0.324 62.678 63.100 -0.164 0.000 0.795 510 P CB 0.472 32.059 31.700 -0.189 0.000 1.038 511 S N -0.830 114.769 115.700 -0.169 0.000 2.704 511 S HA 0.588 5.058 4.470 0.000 0.000 0.305 511 S C -0.553 173.955 174.600 -0.154 0.000 1.107 511 S CA -0.832 57.287 58.200 -0.135 0.000 0.993 511 S CB 1.728 64.854 63.200 -0.123 0.000 1.110 511 S HN 0.468 nan 8.310 nan 0.000 0.534 512 K N 0.644 120.982 120.400 -0.103 0.000 2.413 512 K HA 0.396 4.716 4.320 0.000 0.000 0.257 512 K C -1.179 175.381 176.600 -0.066 0.000 0.946 512 K CA -0.513 55.721 56.287 -0.089 0.000 0.823 512 K CB 1.187 33.657 32.500 -0.051 0.000 1.109 512 K HN 0.703 nan 8.250 nan 0.000 0.427 513 K N 4.984 125.339 120.400 -0.075 0.000 2.183 513 K HA 0.347 4.667 4.320 0.000 0.000 0.274 513 K C -1.348 175.245 176.600 -0.012 0.000 1.009 513 K CA -0.636 55.630 56.287 -0.036 0.000 0.888 513 K CB 0.921 33.402 32.500 -0.032 0.000 1.078 513 K HN 0.516 nan 8.250 nan 0.000 0.459 514 L N 4.212 125.424 121.223 -0.019 0.000 2.376 514 L HA 0.505 4.846 4.340 0.000 0.000 0.275 514 L C -1.448 175.377 176.870 -0.075 0.000 0.987 514 L CA -0.304 54.529 54.840 -0.012 0.000 0.828 514 L CB 1.555 43.681 42.059 0.112 0.000 1.249 514 L HN 0.902 nan 8.230 nan 0.000 0.409 515 D N 2.683 122.838 120.400 -0.409 0.000 2.946 515 D HA 0.507 5.147 4.640 0.000 0.000 0.337 515 D C -1.549 174.325 176.300 -0.710 0.000 1.332 515 D CA 0.062 53.733 54.000 -0.548 0.000 0.935 515 D CB 2.066 42.537 40.800 -0.548 0.000 1.440 515 D HN 0.239 nan 8.370 nan 0.000 0.540 516 F N -0.145 119.427 119.950 -0.630 0.000 2.629 516 F HA 0.741 5.268 4.527 0.001 0.000 0.316 516 F C -0.769 175.061 175.800 0.049 0.000 1.081 516 F CA -1.135 56.595 58.000 -0.450 0.000 0.954 516 F CB 0.987 39.285 39.000 -1.170 0.000 1.337 516 F HN 0.262 nan 8.300 nan 0.000 0.474 517 I N 0.161 120.985 120.570 0.424 0.000 2.689 517 I HA 0.672 4.842 4.170 0.000 0.000 0.299 517 I C -1.390 174.961 176.117 0.391 0.000 1.059 517 I CA -1.212 60.288 61.300 0.332 0.000 1.055 517 I CB 2.407 40.566 38.000 0.266 0.000 1.243 517 I HN 0.643 nan 8.210 nan 0.000 0.425 518 I N 5.444 126.187 120.570 0.290 0.000 2.304 518 I HA 0.347 4.517 4.170 0.000 0.000 0.291 518 I C -0.976 175.284 176.117 0.238 0.000 1.018 518 I CA -0.507 60.941 61.300 0.247 0.000 1.260 518 I CB 1.295 39.400 38.000 0.176 0.000 1.390 518 I HN 0.344 nan 8.210 nan 0.000 0.475 519 L N 7.262 128.692 121.223 0.345 0.000 2.343 519 L HA 0.427 4.767 4.340 0.000 0.000 0.278 519 L C -0.179 176.858 176.870 0.278 0.000 0.996 519 L CA -0.415 54.604 54.840 0.299 0.000 0.831 519 L CB 0.905 43.153 42.059 0.314 0.000 1.232 519 L HN 0.517 nan 8.230 nan 0.000 0.413 520 N N 3.316 122.107 118.700 0.151 0.000 2.696 520 N HA -0.239 4.501 4.740 0.000 0.000 0.256 520 N C 0.315 175.880 175.510 0.093 0.000 1.031 520 N CA 1.063 54.178 53.050 0.107 0.000 0.730 520 N CB -0.970 37.580 38.487 0.105 0.000 0.894 520 N HN 0.849 nan 8.380 nan 0.000 0.544 521 E N -2.929 117.316 120.200 0.074 0.000 2.971 521 E HA -0.259 4.091 4.350 0.000 0.000 0.271 521 E C -0.696 175.906 176.600 0.003 0.000 1.053 521 E CA 1.563 57.985 56.400 0.037 0.000 0.817 521 E CB -1.011 28.701 29.700 0.020 0.000 1.410 521 E HN 0.595 nan 8.360 nan 0.000 0.445 522 T N 0.334 114.894 114.554 0.011 0.000 2.863 522 T HA 0.412 4.762 4.350 0.000 0.000 0.285 522 T C -0.264 174.271 174.700 -0.274 0.000 1.009 522 T CA -0.885 61.114 62.100 -0.168 0.000 0.989 522 T CB 1.623 70.348 68.868 -0.238 0.000 1.004 522 T HN -0.010 nan 8.240 nan 0.000 0.455 523 K N 1.947 122.102 120.400 -0.409 0.000 2.227 523 K HA 0.504 4.824 4.320 0.000 0.000 0.280 523 K C -1.183 175.115 176.600 -0.503 0.000 1.041 523 K CA -0.347 55.726 56.287 -0.357 0.000 0.905 523 K CB 0.590 32.809 32.500 -0.467 0.000 1.068 523 K HN 0.403 nan 8.250 nan 0.000 0.470 524 F N 2.223 122.223 119.950 0.083 0.000 2.445 524 F HA 0.287 4.814 4.527 0.000 0.000 0.348 524 F C -0.552 175.299 175.800 0.084 0.000 1.125 524 F CA -0.864 57.179 58.000 0.071 0.000 0.983 524 F CB 0.752 39.822 39.000 0.117 0.000 1.198 524 F HN 0.448 nan 8.300 nan 0.000 0.436 525 W N 3.880 125.265 121.300 0.142 0.000 2.202 525 W HA 0.442 5.102 4.660 0.000 0.000 0.332 525 W C -0.378 176.255 176.519 0.191 0.000 1.263 525 W CA -0.337 57.111 57.345 0.171 0.000 1.223 525 W CB 0.427 29.943 29.460 0.093 0.000 1.128 525 W HN 0.457 nan 8.180 nan 0.000 0.573 526 Y N -0.325 120.250 120.300 0.459 0.000 2.588 526 Y HA 0.614 5.164 4.550 -0.000 0.000 0.343 526 Y C -0.885 175.240 175.900 0.375 0.000 1.065 526 Y CA -1.945 56.435 58.100 0.467 0.000 1.038 526 Y CB 1.032 39.924 38.460 0.720 0.000 1.297 526 Y HN 0.564 nan 8.280 nan 0.000 0.467 527 Q N 2.703 122.787 119.800 0.474 0.000 2.413 527 Q HA 0.769 5.110 4.340 0.000 0.000 0.276 527 Q C -1.797 174.359 176.000 0.260 0.000 1.099 527 Q CA -1.210 54.754 55.803 0.269 0.000 0.814 527 Q CB 3.279 32.117 28.738 0.167 0.000 1.379 527 Q HN 0.938 nan 8.270 nan 0.000 0.436 528 M N 2.802 122.469 119.600 0.112 0.000 2.238 528 M HA 0.374 4.854 4.480 0.000 0.000 0.278 528 M C -1.674 174.544 176.300 -0.137 0.000 1.040 528 M CA -0.762 54.521 55.300 -0.028 0.000 0.969 528 M CB 1.986 34.564 32.600 -0.037 0.000 1.694 528 M HN 0.671 nan 8.290 nan 0.000 0.472 529 I N 5.958 126.432 120.570 -0.160 0.000 2.322 529 I HA 0.294 4.465 4.170 0.000 0.000 0.292 529 I C -0.559 175.369 176.117 -0.314 0.000 1.060 529 I CA -0.171 61.005 61.300 -0.205 0.000 1.309 529 I CB 0.013 37.915 38.000 -0.164 0.000 1.415 529 I HN 0.645 nan 8.210 nan 0.000 0.492 530 L N 8.397 129.383 121.223 -0.396 0.000 2.307 530 L HA 0.451 4.791 4.340 0.000 0.000 0.284 530 L C -2.186 174.452 176.870 -0.387 0.000 1.023 530 L CA -1.878 52.606 54.840 -0.594 0.000 0.810 530 L CB 1.344 42.846 42.059 -0.928 0.000 1.231 530 L HN 0.264 nan 8.230 nan 0.000 0.423 531 P HA -0.024 nan 4.420 nan 0.000 0.267 531 P C -2.397 174.841 177.300 -0.104 0.000 1.195 531 P CA -0.605 62.396 63.100 -0.166 0.000 0.773 531 P CB -0.327 31.317 31.700 -0.093 0.000 0.837 532 P HA -0.085 nan 4.420 nan 0.000 0.267 532 P C -0.098 177.116 177.300 -0.143 0.000 1.200 532 P CA 0.719 63.679 63.100 -0.233 0.000 0.772 532 P CB 0.025 31.550 31.700 -0.291 0.000 0.855 533 H N -1.462 117.643 119.070 0.058 0.000 2.839 533 H HA -0.199 4.357 4.556 0.000 0.000 0.298 533 H C 0.124 175.517 175.328 0.109 0.000 1.224 533 H CA 0.095 56.184 56.048 0.068 0.000 1.144 533 H CB -2.474 27.321 29.762 0.055 0.000 1.372 533 H HN 0.406 nan 8.280 nan 0.000 0.408 534 F N 2.615 122.554 119.950 -0.019 0.000 2.623 534 F HA 0.162 4.690 4.527 0.001 0.000 0.383 534 F C 0.525 176.333 175.800 0.014 0.000 1.077 534 F CA 0.068 58.015 58.000 -0.088 0.000 1.268 534 F CB 0.494 39.331 39.000 -0.271 0.000 1.053 534 F HN 0.183 nan 8.300 nan 0.000 0.571 535 D N 5.534 125.620 120.400 -0.524 0.000 2.593 535 D HA 0.232 4.872 4.640 0.000 0.000 0.251 535 D C 0.389 176.318 176.300 -0.619 0.000 1.140 535 D CA -0.509 53.239 54.000 -0.419 0.000 0.855 535 D CB 1.341 42.071 40.800 -0.118 0.000 1.267 535 D HN 0.449 nan 8.370 nan 0.000 0.532 536 K N 0.973 121.053 120.400 -0.534 0.000 2.283 536 K HA -0.014 4.306 4.320 0.000 0.000 0.202 536 K C 0.705 177.285 176.600 -0.034 0.000 1.048 536 K CA 0.536 56.644 56.287 -0.297 0.000 0.948 536 K CB -0.045 32.398 32.500 -0.095 0.000 0.742 536 K HN 0.411 nan 8.250 nan 0.000 0.458 537 S N 0.873 116.529 115.700 -0.074 0.000 2.560 537 S HA 0.387 4.857 4.470 0.000 0.000 0.227 537 S C -0.259 174.299 174.600 -0.071 0.000 1.280 537 S CA -0.643 57.535 58.200 -0.037 0.000 1.260 537 S CB 0.170 63.347 63.200 -0.037 0.000 1.002 537 S HN 0.004 nan 8.310 nan 0.000 0.509 538 K N 0.748 121.101 120.400 -0.079 0.000 2.527 538 K HA 0.421 4.741 4.320 0.000 0.000 0.260 538 K C -1.285 175.222 176.600 -0.156 0.000 0.937 538 K CA -0.759 55.407 56.287 -0.201 0.000 0.826 538 K CB 1.263 33.518 32.500 -0.409 0.000 1.359 538 K HN -0.039 nan 8.250 nan 0.000 0.434 539 K N 2.661 122.941 120.400 -0.201 0.000 2.264 539 K HA 0.269 4.589 4.320 0.000 0.000 0.277 539 K C -1.043 175.450 176.600 -0.178 0.000 1.067 539 K CA -0.261 55.972 56.287 -0.090 0.000 0.900 539 K CB 0.402 32.859 32.500 -0.072 0.000 1.124 539 K HN 0.436 nan 8.250 nan 0.000 0.469 540 Y N 3.414 123.754 120.300 0.067 0.000 2.334 540 Y HA 0.257 4.807 4.550 -0.000 0.000 0.328 540 Y C -1.663 174.181 175.900 -0.092 0.000 1.130 540 Y CA -2.307 55.802 58.100 0.016 0.000 1.163 540 Y CB 0.876 39.402 38.460 0.111 0.000 1.207 540 Y HN 0.442 nan 8.280 nan 0.000 0.471 541 P HA 0.125 nan 4.420 nan 0.000 0.271 541 P C -1.030 176.113 177.300 -0.261 0.000 1.218 541 P CA -0.110 62.707 63.100 -0.473 0.000 0.780 541 P CB 1.409 32.453 31.700 -1.094 0.000 0.901 542 L N 2.892 123.998 121.223 -0.195 0.000 2.410 542 L HA 0.550 4.890 4.340 0.000 0.000 0.270 542 L C -1.455 175.572 176.870 0.261 0.000 0.983 542 L CA -1.224 53.644 54.840 0.046 0.000 0.822 542 L CB 1.946 44.034 42.059 0.049 0.000 1.285 542 L HN 0.140 nan 8.230 nan 0.000 0.409 543 L N 5.041 126.433 121.223 0.283 0.000 2.305 543 L HA 0.514 4.854 4.340 0.000 0.000 0.284 543 L C -1.237 175.832 176.870 0.331 0.000 1.013 543 L CA -0.280 54.787 54.840 0.377 0.000 0.819 543 L CB 1.582 43.830 42.059 0.315 0.000 1.227 543 L HN 0.646 nan 8.230 nan 0.000 0.417 544 L N 5.033 126.498 121.223 0.404 0.000 2.278 544 L HA 0.375 4.715 4.340 0.000 0.000 0.287 544 L C -0.502 176.578 176.870 0.350 0.000 1.072 544 L CA 0.255 55.319 54.840 0.374 0.000 0.819 544 L CB 0.546 42.868 42.059 0.438 0.000 1.176 544 L HN 0.619 nan 8.230 nan 0.000 0.435 545 D N 4.270 124.849 120.400 0.299 0.000 2.347 545 D HA 0.250 4.890 4.640 0.000 0.000 0.235 545 D C -1.031 175.333 176.300 0.107 0.000 1.149 545 D CA 0.032 54.139 54.000 0.178 0.000 0.850 545 D CB 1.336 42.301 40.800 0.275 0.000 1.061 545 D HN 0.300 nan 8.370 nan 0.000 0.487 546 V N 6.067 125.965 119.914 -0.027 0.000 2.680 546 V HA 0.426 4.546 4.120 0.000 0.000 0.309 546 V C -0.893 175.302 176.094 0.168 0.000 1.052 546 V CA -0.491 61.878 62.300 0.115 0.000 0.908 546 V CB 1.841 33.757 31.823 0.155 0.000 1.001 546 V HN 0.689 nan 8.190 nan 0.000 0.431 547 Y N 5.523 125.895 120.300 0.119 0.000 3.127 547 Y HA 0.468 5.018 4.550 0.000 0.000 0.196 547 Y C 1.725 177.760 175.900 0.225 0.000 0.920 547 Y CA 0.338 58.534 58.100 0.161 0.000 1.664 547 Y CB 0.548 39.087 38.460 0.133 0.000 1.399 547 Y HN 0.976 nan 8.280 nan 0.000 0.435 548 A N 1.064 123.929 122.820 0.076 0.000 3.172 548 A HA -0.213 4.108 4.320 0.000 0.000 0.263 548 A C 0.811 178.252 177.584 -0.238 0.000 1.215 548 A CA 0.930 52.964 52.037 -0.004 0.000 1.065 548 A CB -2.631 16.511 19.000 0.236 0.000 1.148 548 A HN 0.845 nan 8.150 nan 0.000 0.904 549 G N -0.742 107.648 108.800 -0.683 0.000 2.667 549 G HA2 0.443 4.403 3.960 0.000 0.000 0.250 549 G HA3 0.443 4.403 3.960 0.000 0.000 0.250 549 G C -2.240 172.231 174.900 -0.714 0.000 1.212 549 G CA -0.533 43.873 45.100 -1.157 0.000 0.874 549 G HN 0.298 nan 8.290 nan 0.000 0.561 550 P HA 0.102 nan 4.420 nan 0.000 0.261 550 P C 0.504 177.571 177.300 -0.388 0.000 1.203 550 P CA 0.197 62.945 63.100 -0.586 0.000 0.767 550 P CB 0.564 31.472 31.700 -1.320 0.000 0.785 551 C N 2.712 121.855 119.300 -0.262 0.000 4.657 551 C HA -0.154 4.306 4.460 0.000 0.000 0.259 551 C C 1.005 175.921 174.990 -0.123 0.000 1.235 551 C CA 1.013 59.877 59.018 -0.257 0.000 1.733 551 C CB -2.641 24.824 27.740 -0.458 0.000 1.495 551 C HN 0.761 nan 8.230 nan 0.000 0.704 552 S N 0.354 115.892 115.700 -0.271 0.000 2.584 552 S HA 0.444 4.914 4.470 0.000 0.000 0.270 552 S C -0.507 174.091 174.600 -0.005 0.000 1.346 552 S CA 0.499 58.491 58.200 -0.347 0.000 1.018 552 S CB 1.373 63.898 63.200 -1.125 0.000 0.899 552 S HN 0.835 nan 8.310 nan 0.000 0.542 553 Q N 0.230 120.129 119.800 0.164 0.000 2.374 553 Q HA 0.319 4.660 4.340 0.000 0.000 0.250 553 Q C -0.451 175.684 176.000 0.225 0.000 0.918 553 Q CA -0.696 55.240 55.803 0.222 0.000 0.778 553 Q CB 0.944 29.881 28.738 0.331 0.000 1.328 553 Q HN 0.666 nan 8.270 nan 0.000 0.445 554 K N 0.770 121.290 120.400 0.200 0.000 2.308 554 K HA 0.285 4.605 4.320 0.000 0.000 0.197 554 K C 0.048 176.765 176.600 0.195 0.000 1.049 554 K CA 0.483 56.901 56.287 0.218 0.000 0.991 554 K CB 0.955 33.601 32.500 0.243 0.000 0.836 554 K HN 0.503 nan 8.250 nan 0.000 0.500 555 A N 3.154 126.092 122.820 0.197 0.000 2.366 555 A HA 0.358 4.678 4.320 0.000 0.000 0.322 555 A C -0.684 176.984 177.584 0.141 0.000 1.397 555 A CA -0.497 51.657 52.037 0.196 0.000 0.984 555 A CB -0.130 19.032 19.000 0.269 0.000 1.149 555 A HN 0.266 nan 8.150 nan 0.000 0.540 556 D N -0.059 120.407 120.400 0.110 0.000 2.798 556 D HA 0.452 5.092 4.640 0.000 0.000 0.308 556 D C 0.315 176.660 176.300 0.074 0.000 1.187 556 D CA 0.252 54.312 54.000 0.101 0.000 1.033 556 D CB 0.281 41.161 40.800 0.133 0.000 1.445 556 D HN 0.138 nan 8.370 nan 0.000 0.550 557 T N -2.205 112.419 114.554 0.116 0.000 3.243 557 T HA 0.381 4.731 4.350 0.000 0.000 0.264 557 T C 0.183 174.870 174.700 -0.023 0.000 1.000 557 T CA -0.455 61.695 62.100 0.084 0.000 0.901 557 T CB -0.785 68.173 68.868 0.150 0.000 1.083 557 T HN 0.270 nan 8.240 nan 0.000 0.559 558 V N 2.364 122.174 119.914 -0.173 0.000 2.498 558 V HA 0.385 4.505 4.120 0.000 0.000 0.279 558 V C 0.043 176.097 176.094 -0.066 0.000 1.048 558 V CA -1.181 60.969 62.300 -0.249 0.000 0.967 558 V CB 0.315 31.886 31.823 -0.419 0.000 0.988 558 V HN 0.560 nan 8.190 nan 0.000 0.473 559 F N 6.191 126.054 119.950 -0.145 0.000 2.467 559 F HA 0.498 5.025 4.527 0.000 0.000 0.362 559 F C 0.589 176.341 175.800 -0.079 0.000 1.090 559 F CA 0.037 57.977 58.000 -0.100 0.000 1.202 559 F CB 0.193 39.141 39.000 -0.088 0.000 1.113 559 F HN 0.429 nan 8.300 nan 0.000 0.541 560 R N 6.680 126.761 120.500 -0.698 0.000 2.621 560 R HA 0.510 4.850 4.340 0.000 0.000 0.284 560 R C -1.615 174.313 176.300 -0.621 0.000 0.998 560 R CA -1.022 54.808 56.100 -0.451 0.000 0.895 560 R CB 2.052 32.220 30.300 -0.220 0.000 1.195 560 R HN 0.656 nan 8.270 nan 0.000 0.450 561 L N 4.392 125.421 121.223 -0.322 0.000 2.301 561 L HA 0.407 4.747 4.340 0.000 0.000 0.278 561 L C -0.588 176.287 176.870 0.007 0.000 1.022 561 L CA -0.684 54.007 54.840 -0.248 0.000 0.854 561 L CB 0.538 42.567 42.059 -0.049 0.000 1.226 561 L HN 0.733 nan 8.230 nan 0.000 0.429 562 N N 0.222 118.857 118.700 -0.107 0.000 3.278 562 N HA 0.178 4.918 4.740 0.000 0.000 0.307 562 N C 0.227 175.455 175.510 -0.470 0.000 1.551 562 N CA -0.934 51.983 53.050 -0.221 0.000 0.794 562 N CB 0.220 38.663 38.487 -0.073 0.000 1.770 562 N HN 0.301 nan 8.380 nan 0.000 0.612 563 W N 0.745 121.415 121.300 -1.051 0.000 2.318 563 W HA 0.009 4.669 4.660 0.001 0.000 0.313 563 W C 2.085 178.549 176.519 -0.092 0.000 1.221 563 W CA 3.159 60.135 57.345 -0.614 0.000 1.266 563 W CB -1.071 28.181 29.460 -0.347 0.000 1.150 563 W HN 0.714 nan 8.180 nan 0.000 0.496 564 A N -0.527 122.250 122.820 -0.071 0.000 1.978 564 A HA -0.240 4.080 4.320 0.000 0.000 0.220 564 A C 1.925 179.392 177.584 -0.195 0.000 1.170 564 A CA 2.648 54.580 52.037 -0.175 0.000 0.636 564 A CB -1.284 17.704 19.000 -0.021 0.000 0.810 564 A HN 0.351 nan 8.150 nan 0.000 0.448 565 T N -1.461 113.002 114.554 -0.152 0.000 2.737 565 T HA -0.185 4.165 4.350 0.000 0.000 0.265 565 T C 1.791 176.508 174.700 0.028 0.000 1.038 565 T CA 1.540 63.527 62.100 -0.188 0.000 1.144 565 T CB -0.535 68.047 68.868 -0.477 0.000 0.866 565 T HN 0.699 nan 8.240 nan 0.000 0.434 566 Y N 1.921 122.309 120.300 0.146 0.000 2.181 566 Y HA -0.088 4.462 4.550 0.000 0.000 0.288 566 Y C 1.997 177.881 175.900 -0.025 0.000 1.146 566 Y CA 1.066 59.278 58.100 0.186 0.000 1.164 566 Y CB -0.538 38.017 38.460 0.158 0.000 0.982 566 Y HN 0.088 nan 8.280 nan 0.000 0.515 567 L N 0.235 121.042 121.223 -0.693 0.000 2.046 567 L HA -0.206 4.134 4.340 0.000 0.000 0.208 567 L C 2.845 179.457 176.870 -0.430 0.000 1.077 567 L CA 1.290 55.660 54.840 -0.783 0.000 0.747 567 L CB -0.821 40.821 42.059 -0.696 0.000 0.896 567 L HN 0.438 nan 8.230 nan 0.000 0.432 568 A N -1.559 121.088 122.820 -0.289 0.000 1.930 568 A HA -0.148 4.173 4.320 0.000 0.000 0.215 568 A C 2.489 179.992 177.584 -0.136 0.000 1.176 568 A CA 1.559 53.476 52.037 -0.199 0.000 0.632 568 A CB -0.470 18.407 19.000 -0.206 0.000 0.819 568 A HN 0.313 nan 8.150 nan 0.000 0.445 569 S N -1.024 114.617 115.700 -0.099 0.000 2.368 569 S HA -0.105 4.366 4.470 0.000 0.000 0.224 569 S C 1.945 176.559 174.600 0.023 0.000 1.029 569 S CA 2.264 60.461 58.200 -0.006 0.000 0.988 569 S CB -0.267 62.994 63.200 0.102 0.000 0.838 569 S HN 0.614 nan 8.310 nan 0.000 0.462 570 T N 0.932 115.474 114.554 -0.021 0.000 3.044 570 T HA 0.195 4.545 4.350 0.000 0.000 0.237 570 T C 1.370 176.042 174.700 -0.047 0.000 1.001 570 T CA 0.310 62.423 62.100 0.021 0.000 1.160 570 T CB -0.152 68.807 68.868 0.153 0.000 0.889 570 T HN 0.244 nan 8.240 nan 0.000 0.442 571 E N 1.464 121.540 120.200 -0.207 0.000 2.489 571 E HA 0.149 4.499 4.350 0.000 0.000 0.193 571 E C 0.004 176.580 176.600 -0.041 0.000 1.057 571 E CA -0.077 56.241 56.400 -0.137 0.000 0.866 571 E CB -0.450 29.093 29.700 -0.261 0.000 0.916 571 E HN 0.550 nan 8.360 nan 0.000 0.500 572 N N 0.563 119.247 118.700 -0.027 0.000 2.735 572 N HA -0.193 4.547 4.740 0.000 0.000 0.248 572 N C -0.716 174.849 175.510 0.091 0.000 1.083 572 N CA 0.080 53.173 53.050 0.071 0.000 0.703 572 N CB -1.085 37.504 38.487 0.170 0.000 1.005 572 N HN 0.197 nan 8.380 nan 0.000 0.550 573 I N 0.857 121.413 120.570 -0.024 0.000 2.437 573 I HA 0.342 4.512 4.170 0.000 0.000 0.298 573 I C 0.702 176.764 176.117 -0.091 0.000 0.984 573 I CA -0.765 60.528 61.300 -0.012 0.000 1.214 573 I CB 1.388 39.403 38.000 0.025 0.000 1.365 573 I HN 0.011 nan 8.210 nan 0.000 0.469 574 I N 5.740 126.261 120.570 -0.082 0.000 2.371 574 I HA 0.170 4.341 4.170 0.000 0.000 0.290 574 I C -0.446 175.620 176.117 -0.086 0.000 1.028 574 I CA -0.416 60.790 61.300 -0.157 0.000 1.345 574 I CB 1.137 39.038 38.000 -0.166 0.000 1.407 574 I HN 0.197 nan 8.210 nan 0.000 0.501 575 V N 6.672 126.523 119.914 -0.104 0.000 2.370 575 V HA 0.670 4.790 4.120 0.000 0.000 0.283 575 V C 0.263 176.341 176.094 -0.026 0.000 1.023 575 V CA -0.435 61.855 62.300 -0.017 0.000 0.857 575 V CB 1.195 33.014 31.823 -0.007 0.000 0.985 575 V HN 0.827 nan 8.190 nan 0.000 0.443 576 A N 3.908 126.736 122.820 0.014 0.000 2.401 576 A HA 0.924 5.244 4.320 0.000 0.000 0.310 576 A C -0.327 177.369 177.584 0.188 0.000 1.075 576 A CA -0.501 51.518 52.037 -0.030 0.000 0.746 576 A CB 1.919 20.640 19.000 -0.466 0.000 1.277 576 A HN 0.675 nan 8.150 nan 0.000 0.425 577 S N -0.048 115.829 115.700 0.295 0.000 2.570 577 S HA 0.804 5.274 4.470 0.000 0.000 0.286 577 S C -1.511 173.452 174.600 0.605 0.000 1.099 577 S CA -0.300 58.140 58.200 0.400 0.000 0.913 577 S CB 1.351 64.730 63.200 0.299 0.000 1.085 577 S HN 0.797 nan 8.310 nan 0.000 0.480 578 F N 1.911 122.093 119.950 0.387 0.000 2.585 578 F HA 0.380 4.907 4.527 0.000 0.000 0.319 578 F C -1.513 174.471 175.800 0.308 0.000 1.165 578 F CA -0.732 57.509 58.000 0.402 0.000 0.949 578 F CB 1.254 40.460 39.000 0.345 0.000 1.218 578 F HN 0.380 nan 8.300 nan 0.000 0.453 579 D N 4.920 125.148 120.400 -0.285 0.000 2.393 579 D HA 0.352 4.992 4.640 0.000 0.000 0.232 579 D C 0.452 176.522 176.300 -0.385 0.000 1.192 579 D CA 0.312 54.203 54.000 -0.182 0.000 0.882 579 D CB 1.328 42.138 40.800 0.016 0.000 1.038 579 D HN 0.732 nan 8.370 nan 0.000 0.499 580 G N 1.444 110.196 108.800 -0.079 0.000 2.702 580 G HA2 0.310 4.270 3.960 0.000 0.000 0.254 580 G HA3 0.310 4.270 3.960 0.000 0.000 0.254 580 G C -0.029 174.975 174.900 0.173 0.000 1.380 580 G CA -0.850 44.295 45.100 0.075 0.000 1.042 580 G HN 0.298 nan 8.290 nan 0.000 0.557 581 R N -0.473 120.120 120.500 0.156 0.000 2.484 581 R HA 0.372 4.712 4.340 0.000 0.000 0.293 581 R C 1.136 177.523 176.300 0.146 0.000 1.023 581 R CA 1.457 57.665 56.100 0.180 0.000 1.037 581 R CB 0.413 30.783 30.300 0.117 0.000 0.951 581 R HN 1.034 nan 8.270 nan 0.000 0.418 582 G N 1.412 110.272 108.800 0.101 0.000 2.253 582 G HA2 -0.300 3.660 3.960 0.000 0.000 0.209 582 G HA3 -0.300 3.660 3.960 0.000 0.000 0.209 582 G C 0.157 175.041 174.900 -0.026 0.000 0.997 582 G CA 0.009 45.142 45.100 0.055 0.000 0.640 582 G HN 0.694 nan 8.290 nan 0.000 0.496 583 S N 0.403 116.096 115.700 -0.011 0.000 2.600 583 S HA 0.659 5.129 4.470 0.000 0.000 0.265 583 S C 0.878 175.426 174.600 -0.086 0.000 1.325 583 S CA 0.488 58.657 58.200 -0.052 0.000 1.002 583 S CB 1.712 64.918 63.200 0.009 0.000 0.921 583 S HN 1.640 nan 8.310 nan 0.000 0.554 584 G N -1.032 107.692 108.800 -0.127 0.000 2.552 584 G HA2 0.498 4.458 3.960 0.000 0.000 0.318 584 G HA3 0.498 4.458 3.960 0.000 0.000 0.318 584 G C -0.924 173.861 174.900 -0.192 0.000 1.240 584 G CA -1.134 43.754 45.100 -0.354 0.000 1.002 584 G HN 1.006 nan 8.290 nan 0.000 0.493 585 Y N -2.259 118.023 120.300 -0.030 0.000 4.177 585 Y HA -0.220 4.330 4.550 0.000 0.000 0.227 585 Y C 1.120 177.015 175.900 -0.008 0.000 1.154 585 Y CA 0.996 59.087 58.100 -0.014 0.000 1.887 585 Y CB -2.094 36.373 38.460 0.012 0.000 1.594 585 Y HN 0.512 nan 8.280 nan 0.000 0.668 586 Q N -0.059 119.748 119.800 0.011 0.000 2.038 586 Q HA 0.475 4.816 4.340 0.000 0.000 0.240 586 Q C 0.703 176.592 176.000 -0.185 0.000 0.831 586 Q CA 0.098 55.922 55.803 0.035 0.000 1.068 586 Q CB 1.579 30.329 28.738 0.019 0.000 1.241 586 Q HN 0.605 nan 8.270 nan 0.000 0.435 587 G N 0.803 109.355 108.800 -0.413 0.000 2.705 587 G HA2 -0.194 3.766 3.960 0.000 0.000 0.686 587 G HA3 -0.194 3.766 3.960 0.000 0.000 0.686 587 G C -0.263 174.256 174.900 -0.633 0.000 1.285 587 G CA -0.535 44.034 45.100 -0.884 0.000 0.800 587 G HN 0.191 nan 8.290 nan 0.000 0.611 588 D N 0.450 120.436 120.400 -0.691 0.000 2.263 588 D HA -0.085 4.555 4.640 0.000 0.000 0.208 588 D C 2.232 178.218 176.300 -0.524 0.000 0.971 588 D CA 1.471 54.995 54.000 -0.793 0.000 0.867 588 D CB 0.052 40.332 40.800 -0.866 0.000 0.929 588 D HN 0.633 nan 8.370 nan 0.000 0.492 589 K N 1.010 121.161 120.400 -0.414 0.000 2.044 589 K HA -0.146 4.174 4.320 0.000 0.000 0.210 589 K C 1.932 178.421 176.600 -0.185 0.000 1.049 589 K CA 1.200 57.332 56.287 -0.258 0.000 0.927 589 K CB -0.355 31.997 32.500 -0.247 0.000 0.713 589 K HN 0.137 nan 8.250 nan 0.000 0.443 590 I N -0.082 120.369 120.570 -0.198 0.000 2.339 590 I HA -0.135 4.035 4.170 0.000 0.000 0.245 590 I C 2.629 178.705 176.117 -0.069 0.000 1.096 590 I CA 1.155 62.404 61.300 -0.085 0.000 1.408 590 I CB -0.184 37.781 38.000 -0.059 0.000 1.092 590 I HN 0.321 nan 8.210 nan 0.000 0.423 591 M N 0.269 119.766 119.600 -0.173 0.000 2.086 591 M HA -0.221 4.260 4.480 0.000 0.000 0.261 591 M C 1.919 178.243 176.300 0.040 0.000 1.067 591 M CA 1.915 57.145 55.300 -0.117 0.000 1.116 591 M CB -0.252 32.184 32.600 -0.273 0.000 1.348 591 M HN 0.218 nan 8.290 nan 0.000 0.407 592 H N 0.260 119.196 119.070 -0.224 0.000 2.553 592 H HA 0.247 4.804 4.556 0.000 0.000 0.269 592 H C 1.849 177.164 175.328 -0.022 0.000 1.011 592 H CA 0.676 56.599 56.048 -0.208 0.000 1.150 592 H CB -0.653 28.902 29.762 -0.346 0.000 1.339 592 H HN 0.533 nan 8.280 nan 0.000 0.604 593 A N 0.998 123.882 122.820 0.107 0.000 2.019 593 A HA -0.104 4.217 4.320 0.000 0.000 0.219 593 A C 1.783 179.495 177.584 0.215 0.000 1.164 593 A CA 1.313 53.390 52.037 0.066 0.000 0.644 593 A CB -0.534 18.450 19.000 -0.027 0.000 0.805 593 A HN 0.376 nan 8.150 nan 0.000 0.449 594 I N -2.274 118.456 120.570 0.268 0.000 3.904 594 I HA 0.177 4.347 4.170 0.000 0.000 0.333 594 I C 0.346 176.573 176.117 0.184 0.000 1.361 594 I CA -0.709 60.762 61.300 0.285 0.000 1.116 594 I CB -0.813 37.325 38.000 0.230 0.000 1.028 594 I HN 0.207 nan 8.210 nan 0.000 0.398 595 N N 3.033 121.863 118.700 0.218 0.000 2.411 595 N HA -0.059 4.681 4.740 0.000 0.000 0.261 595 N C 0.306 175.842 175.510 0.044 0.000 1.248 595 N CA 0.284 53.445 53.050 0.184 0.000 0.885 595 N CB 0.306 38.874 38.487 0.136 0.000 1.062 595 N HN 0.394 nan 8.380 nan 0.000 0.471 596 R N 0.672 121.162 120.500 -0.017 0.000 3.977 596 R HA -0.145 4.195 4.340 0.000 0.000 0.428 596 R C -0.314 175.777 176.300 -0.348 0.000 1.079 596 R CA 0.966 56.991 56.100 -0.124 0.000 1.269 596 R CB -0.834 29.420 30.300 -0.077 0.000 1.856 596 R HN 0.654 nan 8.270 nan 0.000 0.551 597 R N 0.743 121.072 120.500 -0.286 0.000 2.881 597 R HA 0.238 4.578 4.340 0.000 0.000 0.331 597 R C -0.635 175.634 176.300 -0.053 0.000 1.207 597 R CA -0.655 55.175 56.100 -0.451 0.000 1.265 597 R CB 0.313 30.439 30.300 -0.290 0.000 1.351 597 R HN -0.091 nan 8.270 nan 0.000 0.613 598 L N 0.459 121.697 121.223 0.026 0.000 2.485 598 L HA 0.214 4.554 4.340 0.000 0.000 0.275 598 L C 1.442 178.540 176.870 0.381 0.000 1.207 598 L CA 1.392 56.304 54.840 0.120 0.000 0.855 598 L CB 0.392 42.295 42.059 -0.261 0.000 1.114 598 L HN 0.812 nan 8.230 nan 0.000 0.485 599 G N 1.210 110.277 108.800 0.445 0.000 2.182 599 G HA2 -0.286 3.674 3.960 0.000 0.000 0.248 599 G HA3 -0.286 3.674 3.960 0.000 0.000 0.248 599 G C 0.518 175.523 174.900 0.175 0.000 1.042 599 G CA 0.865 46.213 45.100 0.413 0.000 0.775 599 G HN 0.928 nan 8.290 nan 0.000 0.501 600 T N -3.890 110.716 114.554 0.088 0.000 3.364 600 T HA 0.418 4.768 4.350 0.000 0.000 0.179 600 T C 1.674 176.315 174.700 -0.099 0.000 0.939 600 T CA 0.944 62.969 62.100 -0.126 0.000 1.094 600 T CB -0.014 68.603 68.868 -0.418 0.000 1.532 600 T HN 0.176 nan 8.240 nan 0.000 0.346 601 F N 3.537 123.549 119.950 0.104 0.000 2.171 601 F HA 0.072 4.599 4.527 0.000 0.000 0.300 601 F C 2.822 178.675 175.800 0.088 0.000 1.090 601 F CA 1.335 59.381 58.000 0.078 0.000 1.293 601 F CB -0.544 38.497 39.000 0.069 0.000 1.013 601 F HN 0.488 nan 8.300 nan 0.000 0.486 602 E N 0.735 121.109 120.200 0.289 0.000 2.152 602 E HA -0.113 4.237 4.350 0.000 0.000 0.192 602 E C 2.161 178.887 176.600 0.210 0.000 0.983 602 E CA 1.417 57.966 56.400 0.247 0.000 0.818 602 E CB -1.070 28.786 29.700 0.260 0.000 0.758 602 E HN 0.297 nan 8.360 nan 0.000 0.467 603 V N 1.772 121.788 119.914 0.171 0.000 2.270 603 V HA -0.236 3.885 4.120 0.000 0.000 0.245 603 V C 2.383 178.524 176.094 0.078 0.000 1.043 603 V CA 2.276 64.633 62.300 0.095 0.000 1.014 603 V CB -0.649 31.192 31.823 0.031 0.000 0.645 603 V HN 0.212 nan 8.190 nan 0.000 0.447 604 E N 0.080 120.329 120.200 0.081 0.000 2.085 604 E HA -0.256 4.094 4.350 0.000 0.000 0.194 604 E C 1.937 178.568 176.600 0.051 0.000 0.994 604 E CA 1.619 58.061 56.400 0.070 0.000 0.801 604 E CB -0.216 29.542 29.700 0.096 0.000 0.743 604 E HN 0.572 nan 8.360 nan 0.000 0.453 605 D N 0.083 120.534 120.400 0.084 0.000 2.218 605 D HA -0.131 4.510 4.640 0.000 0.000 0.204 605 D C 1.884 178.174 176.300 -0.016 0.000 0.976 605 D CA 0.766 54.787 54.000 0.034 0.000 0.853 605 D CB -0.051 40.826 40.800 0.130 0.000 0.939 605 D HN 0.115 nan 8.370 nan 0.000 0.481 606 Q N -0.119 119.735 119.800 0.089 0.000 2.187 606 Q HA 0.040 4.380 4.340 0.000 0.000 0.199 606 Q C 2.480 178.551 176.000 0.118 0.000 0.957 606 Q CA 0.304 56.176 55.803 0.115 0.000 0.857 606 Q CB 0.136 28.971 28.738 0.161 0.000 0.929 606 Q HN 0.420 nan 8.270 nan 0.000 0.453 607 I N 0.654 121.294 120.570 0.117 0.000 2.202 607 I HA -0.248 3.923 4.170 0.000 0.000 0.242 607 I C 2.343 178.431 176.117 -0.048 0.000 1.091 607 I CA 1.100 62.504 61.300 0.173 0.000 1.368 607 I CB -0.131 37.949 38.000 0.132 0.000 1.058 607 I HN 0.117 nan 8.210 nan 0.000 0.410 608 E N 1.407 121.515 120.200 -0.152 0.000 2.153 608 E HA -0.199 4.151 4.350 0.000 0.000 0.194 608 E C 2.081 178.382 176.600 -0.499 0.000 0.988 608 E CA 1.506 57.739 56.400 -0.277 0.000 0.811 608 E CB -0.170 29.375 29.700 -0.258 0.000 0.746 608 E HN 0.419 nan 8.360 nan 0.000 0.466 609 A N 0.904 123.304 122.820 -0.700 0.000 1.873 609 A HA -0.167 4.154 4.320 0.000 0.000 0.218 609 A C 2.486 179.508 177.584 -0.937 0.000 1.193 609 A CA 2.486 53.847 52.037 -1.126 0.000 0.629 609 A CB -1.233 17.169 19.000 -0.997 0.000 0.826 609 A HN 0.397 nan 8.150 nan 0.000 0.447 610 A N -0.597 122.040 122.820 -0.305 0.000 1.972 610 A HA -0.168 4.152 4.320 0.000 0.000 0.219 610 A C 2.237 179.687 177.584 -0.223 0.000 1.169 610 A CA 1.525 53.506 52.037 -0.093 0.000 0.635 610 A CB -0.458 18.454 19.000 -0.146 0.000 0.810 610 A HN 0.572 nan 8.150 nan 0.000 0.446 611 R N -0.913 119.413 120.500 -0.291 0.000 2.092 611 R HA -0.078 4.263 4.340 0.000 0.000 0.231 611 R C 2.176 178.316 176.300 -0.266 0.000 1.119 611 R CA 1.212 57.164 56.100 -0.247 0.000 0.970 611 R CB -0.192 29.981 30.300 -0.211 0.000 0.864 611 R HN 0.538 nan 8.270 nan 0.000 0.440 612 Q N -0.323 119.237 119.800 -0.401 0.000 2.172 612 Q HA -0.059 4.282 4.340 0.000 0.000 0.200 612 Q C 1.913 177.702 176.000 -0.352 0.000 0.964 612 Q CA 1.170 56.728 55.803 -0.407 0.000 0.855 612 Q CB -0.045 28.370 28.738 -0.538 0.000 0.918 612 Q HN 0.259 nan 8.270 nan 0.000 0.444 613 F N 1.361 121.153 119.950 -0.264 0.000 2.113 613 F HA -0.147 4.380 4.527 0.000 0.000 0.297 613 F C 2.732 178.331 175.800 -0.335 0.000 1.103 613 F CA 1.321 59.152 58.000 -0.281 0.000 1.248 613 F CB -1.293 37.593 39.000 -0.190 0.000 0.999 613 F HN 0.079 nan 8.300 nan 0.000 0.475 614 S N -0.257 115.395 115.700 -0.080 0.000 2.399 614 S HA -0.151 4.319 4.470 0.000 0.000 0.231 614 S C 1.747 176.232 174.600 -0.192 0.000 1.022 614 S CA 0.849 58.959 58.200 -0.151 0.000 0.983 614 S CB -0.464 62.660 63.200 -0.127 0.000 0.803 614 S HN 0.180 nan 8.310 nan 0.000 0.480 615 K N 0.794 121.087 120.400 -0.178 0.000 2.555 615 K HA 0.249 4.569 4.320 0.000 0.000 0.193 615 K C 1.325 177.818 176.600 -0.177 0.000 1.032 615 K CA 0.329 56.522 56.287 -0.157 0.000 1.004 615 K CB -0.414 32.008 32.500 -0.130 0.000 0.804 615 K HN 0.566 nan 8.250 nan 0.000 0.496 616 M N -1.124 118.305 119.600 -0.285 0.000 2.541 616 M HA 0.040 4.520 4.480 0.000 0.000 0.252 616 M C 1.008 177.076 176.300 -0.387 0.000 1.125 616 M CA 0.747 55.835 55.300 -0.353 0.000 1.091 616 M CB 0.327 32.610 32.600 -0.527 0.000 1.420 616 M HN 0.318 nan 8.290 nan 0.000 0.486 617 G N 1.048 109.627 108.800 -0.368 0.000 2.157 617 G HA2 -0.282 3.678 3.960 0.000 0.000 0.248 617 G HA3 -0.282 3.678 3.960 0.000 0.000 0.248 617 G C 0.357 175.222 174.900 -0.059 0.000 0.979 617 G CA 0.340 45.339 45.100 -0.170 0.000 0.650 617 G HN 0.655 nan 8.290 nan 0.000 0.529 618 F N -1.119 118.885 119.950 0.090 0.000 2.729 618 F HA 0.734 5.261 4.527 0.000 0.000 0.315 618 F C 0.177 176.093 175.800 0.192 0.000 1.102 618 F CA -0.889 57.198 58.000 0.145 0.000 1.204 618 F CB 0.506 39.642 39.000 0.226 0.000 1.052 618 F HN 0.050 nan 8.300 nan 0.000 0.551 619 V N 1.988 121.946 119.914 0.072 0.000 2.398 619 V HA 0.176 4.296 4.120 0.000 0.000 0.286 619 V C -0.616 175.480 176.094 0.004 0.000 1.026 619 V CA -0.699 61.654 62.300 0.088 0.000 0.868 619 V CB 1.365 33.181 31.823 -0.012 0.000 0.982 619 V HN 0.134 nan 8.190 nan 0.000 0.443 620 D N 4.045 124.440 120.400 -0.009 0.000 2.342 620 D HA 0.024 4.664 4.640 0.000 0.000 0.260 620 D C 1.012 177.265 176.300 -0.079 0.000 1.278 620 D CA -0.172 53.789 54.000 -0.064 0.000 0.910 620 D CB 0.651 41.391 40.800 -0.100 0.000 1.079 620 D HN 0.670 nan 8.370 nan 0.000 0.496 621 N N 3.076 121.732 118.700 -0.073 0.000 2.461 621 N HA -0.070 4.670 4.740 0.000 0.000 0.188 621 N C 0.908 176.376 175.510 -0.070 0.000 1.134 621 N CA 0.244 53.245 53.050 -0.083 0.000 0.878 621 N CB 0.085 38.513 38.487 -0.099 0.000 0.972 621 N HN 0.283 nan 8.380 nan 0.000 0.456 622 K N 0.052 120.419 120.400 -0.055 0.000 2.459 622 K HA 0.172 4.492 4.320 0.000 0.000 0.193 622 K C 0.045 176.644 176.600 -0.002 0.000 1.030 622 K CA 0.190 56.461 56.287 -0.027 0.000 1.026 622 K CB 0.256 32.743 32.500 -0.023 0.000 0.809 622 K HN 0.196 nan 8.250 nan 0.000 0.504 623 R N 1.164 121.633 120.500 -0.052 0.000 2.681 623 R HA 0.339 4.679 4.340 0.000 0.000 0.277 623 R C -0.970 175.272 176.300 -0.096 0.000 1.563 623 R CA -0.140 55.908 56.100 -0.087 0.000 1.673 623 R CB 0.623 30.706 30.300 -0.363 0.000 1.258 623 R HN -0.010 nan 8.270 nan 0.000 0.650 624 I N 1.046 121.700 120.570 0.140 0.000 2.378 624 I HA 0.566 4.736 4.170 0.000 0.000 0.291 624 I C 0.054 176.482 176.117 0.518 0.000 0.992 624 I CA -0.800 60.642 61.300 0.236 0.000 1.154 624 I CB 1.885 39.893 38.000 0.013 0.000 1.315 624 I HN 0.263 nan 8.210 nan 0.000 0.448 625 A N 7.002 130.213 122.820 0.652 0.000 2.387 625 A HA 0.925 5.246 4.320 0.000 0.000 0.303 625 A C -1.137 176.764 177.584 0.527 0.000 1.145 625 A CA -0.645 51.731 52.037 0.565 0.000 0.801 625 A CB 2.165 21.373 19.000 0.347 0.000 1.342 625 A HN 0.746 nan 8.150 nan 0.000 0.440 626 I N 0.578 121.363 120.570 0.358 0.000 2.722 626 I HA 0.752 4.923 4.170 0.000 0.000 0.295 626 I C -1.832 174.510 176.117 0.375 0.000 1.161 626 I CA -0.516 60.926 61.300 0.237 0.000 1.032 626 I CB 1.697 39.548 38.000 -0.248 0.000 1.244 626 I HN 0.937 nan 8.210 nan 0.000 0.421 627 W N 6.745 128.146 121.300 0.168 0.000 3.146 627 W HA 0.817 5.477 4.660 0.000 0.000 0.319 627 W C -1.643 175.003 176.519 0.212 0.000 1.258 627 W CA -0.876 56.584 57.345 0.190 0.000 1.189 627 W CB 0.977 30.595 29.460 0.263 0.000 1.412 627 W HN 0.867 nan 8.180 nan 0.000 0.567 628 G N 0.758 109.467 108.800 -0.153 0.000 2.579 628 G HA2 0.404 4.364 3.960 0.000 0.000 0.292 628 G HA3 0.404 4.364 3.960 0.000 0.000 0.292 628 G C -2.652 172.168 174.900 -0.134 0.000 1.484 628 G CA -0.792 44.049 45.100 -0.431 0.000 0.813 628 G HN 0.592 nan 8.290 nan 0.000 0.515 629 W N 1.366 122.491 121.300 -0.292 0.000 2.570 629 W HA 0.559 5.219 4.660 0.000 0.000 0.337 629 W C 0.948 177.431 176.519 -0.059 0.000 1.067 629 W CA 0.704 57.968 57.345 -0.134 0.000 1.229 629 W CB 1.536 30.916 29.460 -0.134 0.000 1.355 629 W HN 1.116 nan 8.180 nan 0.000 0.555 630 S N 1.694 117.599 115.700 0.340 0.000 4.114 630 S HA -0.430 4.040 4.470 0.000 0.000 0.618 630 S C 0.857 175.580 174.600 0.205 0.000 1.937 630 S CA 1.517 59.923 58.200 0.342 0.000 4.228 630 S CB -1.574 61.876 63.200 0.418 0.000 0.216 630 S HN 0.747 nan 8.310 nan 0.000 0.528 631 Y N 3.005 123.378 120.300 0.122 0.000 2.165 631 Y HA -0.081 4.469 4.550 0.000 0.000 0.286 631 Y C 2.561 178.644 175.900 0.306 0.000 1.155 631 Y CA 2.267 60.518 58.100 0.252 0.000 1.164 631 Y CB -1.016 37.682 38.460 0.397 0.000 0.978 631 Y HN 0.597 nan 8.280 nan 0.000 0.513 632 G N -0.787 108.282 108.800 0.448 0.000 2.469 632 G HA2 -0.298 3.663 3.960 0.000 0.000 0.220 632 G HA3 -0.298 3.663 3.960 0.000 0.000 0.220 632 G C 1.851 176.840 174.900 0.149 0.000 1.136 632 G CA 0.875 46.144 45.100 0.282 0.000 0.759 632 G HN 0.586 nan 8.290 nan 0.000 0.562 633 G N -0.235 108.634 108.800 0.116 0.000 2.402 633 G HA2 -0.225 3.736 3.960 0.000 0.000 0.216 633 G HA3 -0.225 3.736 3.960 0.000 0.000 0.216 633 G C 1.588 176.530 174.900 0.071 0.000 1.162 633 G CA 1.068 46.206 45.100 0.062 0.000 0.777 633 G HN 0.487 nan 8.290 nan 0.000 0.539 634 Y N 1.143 121.393 120.300 -0.085 0.000 2.097 634 Y HA -0.163 4.387 4.550 0.000 0.000 0.282 634 Y C 2.794 178.638 175.900 -0.093 0.000 1.152 634 Y CA 1.942 59.935 58.100 -0.179 0.000 1.136 634 Y CB -0.314 37.893 38.460 -0.422 0.000 0.975 634 Y HN 0.028 nan 8.280 nan 0.000 0.498 635 V N -0.007 119.865 119.914 -0.070 0.000 2.343 635 V HA -0.331 3.789 4.120 0.000 0.000 0.247 635 V C 2.287 178.307 176.094 -0.123 0.000 1.051 635 V CA 2.419 64.665 62.300 -0.090 0.000 1.036 635 V CB -1.119 30.816 31.823 0.185 0.000 0.654 635 V HN 0.539 nan 8.190 nan 0.000 0.451 636 T N -0.265 114.261 114.554 -0.047 0.000 2.720 636 T HA -0.209 4.141 4.350 0.000 0.000 0.268 636 T C 2.143 176.789 174.700 -0.091 0.000 1.037 636 T CA 1.991 64.058 62.100 -0.054 0.000 1.144 636 T CB -0.277 68.632 68.868 0.068 0.000 0.864 636 T HN 0.502 nan 8.240 nan 0.000 0.444 637 S N 1.008 116.675 115.700 -0.054 0.000 2.356 637 S HA -0.023 4.447 4.470 0.000 0.000 0.223 637 S C 2.172 176.660 174.600 -0.186 0.000 1.032 637 S CA 0.959 59.131 58.200 -0.046 0.000 1.005 637 S CB -0.296 62.916 63.200 0.020 0.000 0.867 637 S HN 0.312 nan 8.310 nan 0.000 0.449 638 M N 0.920 120.334 119.600 -0.309 0.000 2.108 638 M HA -0.053 4.427 4.480 0.000 0.000 0.261 638 M C 2.223 178.372 176.300 -0.252 0.000 1.066 638 M CA 1.127 56.236 55.300 -0.318 0.000 1.107 638 M CB -1.453 30.874 32.600 -0.455 0.000 1.356 638 M HN 0.176 nan 8.290 nan 0.000 0.406 639 V N 0.577 120.342 119.914 -0.247 0.000 2.270 639 V HA -0.236 3.884 4.120 0.000 0.000 0.245 639 V C 2.505 178.426 176.094 -0.289 0.000 1.043 639 V CA 1.384 63.543 62.300 -0.234 0.000 1.014 639 V CB -0.573 31.062 31.823 -0.313 0.000 0.645 639 V HN 0.408 nan 8.190 nan 0.000 0.447 640 L N 0.364 121.347 121.223 -0.399 0.000 2.261 640 L HA -0.089 4.251 4.340 0.000 0.000 0.216 640 L C 2.084 178.421 176.870 -0.888 0.000 1.114 640 L CA 1.369 55.872 54.840 -0.561 0.000 0.777 640 L CB -0.648 41.036 42.059 -0.625 0.000 0.910 640 L HN 0.496 nan 8.230 nan 0.000 0.440 641 G N -1.661 106.699 108.800 -0.734 0.000 3.337 641 G HA2 -0.007 3.953 3.960 0.000 0.000 0.246 641 G HA3 -0.007 3.953 3.960 0.000 0.000 0.246 641 G C 1.306 176.052 174.900 -0.257 0.000 1.131 641 G CA 0.544 45.300 45.100 -0.574 0.000 0.773 641 G HN 0.420 nan 8.290 nan 0.000 0.544 642 S N -1.072 114.502 115.700 -0.209 0.000 2.517 642 S HA 0.339 4.809 4.470 0.000 0.000 0.214 642 S C 1.826 176.384 174.600 -0.071 0.000 0.991 642 S CA 0.859 58.995 58.200 -0.107 0.000 0.906 642 S CB 0.131 63.288 63.200 -0.072 0.000 0.789 642 S HN 1.275 nan 8.310 nan 0.000 0.513 643 G N 1.912 110.661 108.800 -0.085 0.000 2.179 643 G HA2 -0.355 3.605 3.960 0.000 0.000 0.257 643 G HA3 -0.355 3.605 3.960 0.000 0.000 0.257 643 G C 0.968 175.854 174.900 -0.023 0.000 1.010 643 G CA 0.919 45.990 45.100 -0.049 0.000 0.736 643 G HN 1.187 nan 8.290 nan 0.000 0.513 644 S N -0.877 114.820 115.700 -0.005 0.000 2.383 644 S HA 0.290 4.760 4.470 0.000 0.000 0.227 644 S C 2.517 177.112 174.600 -0.008 0.000 1.026 644 S CA 1.785 59.989 58.200 0.007 0.000 0.981 644 S CB -0.241 62.989 63.200 0.051 0.000 0.818 644 S HN 2.426 nan 8.310 nan 0.000 0.472 645 G N -0.262 108.541 108.800 0.005 0.000 2.176 645 G HA2 -0.257 3.703 3.960 0.000 0.000 0.253 645 G HA3 -0.257 3.703 3.960 0.000 0.000 0.253 645 G C 0.729 175.600 174.900 -0.048 0.000 0.979 645 G CA 0.352 45.445 45.100 -0.011 0.000 0.641 645 G HN 0.687 nan 8.290 nan 0.000 0.530 646 V N -0.367 119.486 119.914 -0.101 0.000 2.649 646 V HA 0.302 4.422 4.120 0.000 0.000 0.248 646 V C 1.177 177.026 176.094 -0.407 0.000 1.054 646 V CA 1.378 63.478 62.300 -0.333 0.000 1.073 646 V CB -0.295 31.181 31.823 -0.579 0.000 0.699 646 V HN 0.306 nan 8.190 nan 0.000 0.463 647 F N -0.154 119.811 119.950 0.025 0.000 2.421 647 F HA 0.392 4.919 4.527 0.000 0.000 0.337 647 F C 1.089 176.929 175.800 0.067 0.000 1.105 647 F CA -0.360 57.679 58.000 0.065 0.000 1.049 647 F CB 1.525 40.563 39.000 0.063 0.000 1.139 647 F HN -0.258 nan 8.300 nan 0.000 0.479 648 K N 1.511 122.080 120.400 0.281 0.000 2.099 648 K HA 0.128 4.448 4.320 0.000 0.000 0.203 648 K C 0.015 176.739 176.600 0.207 0.000 1.047 648 K CA 0.840 57.247 56.287 0.200 0.000 0.963 648 K CB 0.314 32.931 32.500 0.195 0.000 0.759 648 K HN 0.799 nan 8.250 nan 0.000 0.451 649 c N -2.381 116.370 118.600 0.252 0.000 3.323 649 c HA 0.928 5.498 4.570 0.000 0.000 0.324 649 c C -0.168 174.126 174.090 0.339 0.000 1.428 649 c CA -0.529 55.963 56.329 0.272 0.000 1.368 649 c CB 1.120 43.706 42.510 0.126 0.000 1.731 649 c HN 0.409 nan 8.230 nan 0.000 0.455 650 G N -0.067 109.013 108.800 0.466 0.000 2.601 650 G HA2 0.678 4.639 3.960 0.000 0.000 0.291 650 G HA3 0.678 4.639 3.960 0.000 0.000 0.291 650 G C -2.067 173.078 174.900 0.410 0.000 1.456 650 G CA -0.682 44.670 45.100 0.421 0.000 0.804 650 G HN 1.000 nan 8.290 nan 0.000 0.499 651 I N 0.928 121.698 120.570 0.334 0.000 2.447 651 I HA 0.586 4.756 4.170 0.000 0.000 0.287 651 I C 0.257 176.496 176.117 0.203 0.000 1.023 651 I CA -0.892 60.494 61.300 0.143 0.000 1.083 651 I CB 2.157 40.228 38.000 0.120 0.000 1.245 651 I HN 0.652 nan 8.210 nan 0.000 0.434 652 A N 6.647 129.493 122.820 0.044 0.000 2.271 652 A HA 0.742 5.063 4.320 0.000 0.000 0.317 652 A C -0.578 176.913 177.584 -0.155 0.000 1.245 652 A CA -0.484 51.575 52.037 0.036 0.000 0.857 652 A CB 0.902 19.991 19.000 0.148 0.000 1.175 652 A HN 0.456 nan 8.150 nan 0.000 0.512 653 V N 2.453 122.215 119.914 -0.252 0.000 2.347 653 V HA 0.537 4.657 4.120 0.000 0.000 0.280 653 V C 0.895 176.567 176.094 -0.703 0.000 1.021 653 V CA 0.420 62.335 62.300 -0.642 0.000 0.847 653 V CB 0.468 31.561 31.823 -1.216 0.000 0.990 653 V HN 2.050 nan 8.190 nan 0.000 0.444 654 A N 5.887 128.314 122.820 -0.656 0.000 2.519 654 A HA -0.095 4.225 4.320 0.000 0.000 0.297 654 A C -1.854 175.585 177.584 -0.243 0.000 1.472 654 A CA 0.288 51.862 52.037 -0.772 0.000 0.739 654 A CB -1.561 17.021 19.000 -0.697 0.000 1.096 654 A HN 0.606 nan 8.150 nan 0.000 0.414 655 P HA 0.451 nan 4.420 nan 0.000 0.279 655 P C 0.215 177.494 177.300 -0.035 0.000 1.252 655 P CA -0.255 62.828 63.100 -0.028 0.000 0.811 655 P CB 1.168 32.874 31.700 0.010 0.000 1.035 656 V N 1.872 121.690 119.914 -0.159 0.000 2.686 656 V HA 0.076 4.196 4.120 0.000 0.000 0.295 656 V C 1.797 177.781 176.094 -0.183 0.000 1.055 656 V CA 0.899 62.984 62.300 -0.359 0.000 1.050 656 V CB 0.680 31.898 31.823 -1.007 0.000 0.984 656 V HN 0.830 nan 8.190 nan 0.000 0.482 657 S N 4.029 119.638 115.700 -0.152 0.000 2.599 657 S HA 0.229 4.699 4.470 0.000 0.000 0.236 657 S C 0.547 175.044 174.600 -0.172 0.000 1.077 657 S CA -0.295 57.866 58.200 -0.065 0.000 0.906 657 S CB 0.299 63.509 63.200 0.016 0.000 0.804 657 S HN 0.838 nan 8.310 nan 0.000 0.497 658 R N -1.315 118.981 120.500 -0.340 0.000 2.604 658 R HA 0.396 4.736 4.340 0.000 0.000 0.270 658 R C -0.904 175.132 176.300 -0.439 0.000 1.052 658 R CA -0.898 54.932 56.100 -0.449 0.000 0.902 658 R CB 0.000 30.045 30.300 -0.425 0.000 1.233 658 R HN 0.195 nan 8.270 nan 0.000 0.455 659 W N 1.299 122.556 121.300 -0.072 0.000 2.425 659 W HA -0.015 4.646 4.660 0.000 0.000 0.277 659 W C 1.355 178.022 176.519 0.247 0.000 1.231 659 W CA 0.806 58.191 57.345 0.066 0.000 1.248 659 W CB 0.163 29.590 29.460 -0.056 0.000 1.117 659 W HN 0.753 nan 8.180 nan 0.000 0.568 660 E N -0.769 119.643 120.200 0.353 0.000 2.267 660 E HA -0.227 4.123 4.350 0.000 0.000 0.197 660 E C 1.507 178.282 176.600 0.292 0.000 0.998 660 E CA 1.286 57.822 56.400 0.227 0.000 0.830 660 E CB -0.453 29.266 29.700 0.031 0.000 0.751 660 E HN 0.361 nan 8.360 nan 0.000 0.491 661 Y N -1.542 118.877 120.300 0.198 0.000 2.420 661 Y HA 0.055 4.605 4.550 0.000 0.000 0.292 661 Y C 0.785 176.802 175.900 0.195 0.000 1.119 661 Y CA -0.263 57.920 58.100 0.138 0.000 1.229 661 Y CB -0.573 37.918 38.460 0.051 0.000 1.026 661 Y HN 0.030 nan 8.280 nan 0.000 0.554 662 Y N 2.146 122.622 120.300 0.293 0.000 2.326 662 Y HA 0.256 4.806 4.550 0.000 0.000 0.324 662 Y C 0.302 176.422 175.900 0.367 0.000 1.291 662 Y CA -2.041 56.233 58.100 0.291 0.000 1.348 662 Y CB 0.320 38.977 38.460 0.328 0.000 1.294 662 Y HN 0.198 nan 8.280 nan 0.000 0.525 663 D N 0.046 120.157 120.400 -0.482 0.000 2.423 663 D HA 0.046 4.686 4.640 0.000 0.000 0.238 663 D C 0.986 177.252 176.300 -0.058 0.000 1.142 663 D CA 0.474 54.264 54.000 -0.350 0.000 0.884 663 D CB 0.923 41.300 40.800 -0.705 0.000 1.199 663 D HN 0.517 nan 8.370 nan 0.000 0.438 664 S N 1.784 117.473 115.700 -0.018 0.000 2.359 664 S HA -0.264 4.206 4.470 0.000 0.000 0.223 664 S C 1.885 176.509 174.600 0.041 0.000 1.039 664 S CA 1.327 59.567 58.200 0.066 0.000 1.042 664 S CB -1.054 62.192 63.200 0.077 0.000 0.915 664 S HN 0.448 nan 8.310 nan 0.000 0.439 665 V N 1.048 120.929 119.914 -0.054 0.000 2.233 665 V HA -0.208 3.912 4.120 0.000 0.000 0.247 665 V C 2.293 178.310 176.094 -0.128 0.000 1.050 665 V CA 2.355 64.539 62.300 -0.194 0.000 1.010 665 V CB -1.200 30.367 31.823 -0.427 0.000 0.637 665 V HN 0.581 nan 8.190 nan 0.000 0.444 666 Y N 1.337 121.578 120.300 -0.098 0.000 2.089 666 Y HA -0.283 4.267 4.550 0.000 0.000 0.282 666 Y C 2.770 178.670 175.900 -0.001 0.000 1.139 666 Y CA 2.532 60.652 58.100 0.033 0.000 1.123 666 Y CB -0.722 37.949 38.460 0.352 0.000 0.980 666 Y HN 0.253 nan 8.280 nan 0.000 0.493 667 T N 0.353 115.085 114.554 0.296 0.000 2.622 667 T HA -0.233 4.117 4.350 0.000 0.000 0.266 667 T C 1.596 176.253 174.700 -0.071 0.000 1.047 667 T CA 2.005 64.212 62.100 0.178 0.000 1.159 667 T CB -0.408 68.721 68.868 0.436 0.000 0.863 667 T HN 0.457 nan 8.240 nan 0.000 0.422 668 E N 0.624 120.820 120.200 -0.006 0.000 2.153 668 E HA -0.130 4.220 4.350 0.000 0.000 0.194 668 E C 2.388 178.876 176.600 -0.186 0.000 0.988 668 E CA 0.565 56.957 56.400 -0.013 0.000 0.811 668 E CB -0.170 29.567 29.700 0.062 0.000 0.746 668 E HN 0.330 nan 8.360 nan 0.000 0.466 669 R N 0.175 120.424 120.500 -0.419 0.000 2.113 669 R HA -0.230 4.110 4.340 0.000 0.000 0.244 669 R C 1.555 177.379 176.300 -0.792 0.000 1.142 669 R CA 1.903 57.571 56.100 -0.721 0.000 0.953 669 R CB -0.107 29.422 30.300 -1.285 0.000 0.860 669 R HN 0.275 nan 8.270 nan 0.000 0.438 670 Y N -2.010 118.003 120.300 -0.478 0.000 2.503 670 Y HA 0.151 4.701 4.550 0.000 0.000 0.277 670 Y C 2.037 177.759 175.900 -0.297 0.000 1.102 670 Y CA 0.212 58.028 58.100 -0.474 0.000 1.261 670 Y CB 0.208 38.255 38.460 -0.687 0.000 1.096 670 Y HN -0.034 nan 8.280 nan 0.000 0.546 671 M N -0.748 118.745 119.600 -0.178 0.000 2.514 671 M HA 0.345 4.825 4.480 0.000 0.000 0.258 671 M C 1.163 177.474 176.300 0.019 0.000 1.159 671 M CA 1.008 56.205 55.300 -0.172 0.000 1.116 671 M CB -0.366 31.967 32.600 -0.445 0.000 1.333 671 M HN 0.356 nan 8.290 nan 0.000 0.487 672 G N 1.524 110.355 108.800 0.051 0.000 2.584 672 G HA2 -0.171 3.789 3.960 0.000 0.000 0.229 672 G HA3 -0.171 3.789 3.960 0.000 0.000 0.229 672 G C -0.778 174.249 174.900 0.212 0.000 1.320 672 G CA -0.928 44.239 45.100 0.112 0.000 0.891 672 G HN 0.174 nan 8.290 nan 0.000 0.573 673 L N 2.148 123.462 121.223 0.152 0.000 2.334 673 L HA 0.468 4.808 4.340 0.000 0.000 0.277 673 L C -1.391 175.480 176.870 0.001 0.000 1.075 673 L CA -1.934 52.953 54.840 0.078 0.000 0.804 673 L CB 0.886 42.959 42.059 0.024 0.000 1.174 673 L HN 0.450 nan 8.230 nan 0.000 0.438 674 P HA 0.083 nan 4.420 nan 0.000 0.226 674 P C -0.332 176.829 177.300 -0.232 0.000 1.783 674 P CA -0.109 62.608 63.100 -0.638 0.000 0.980 674 P CB -0.456 30.536 31.700 -1.179 0.000 1.967 675 T N -2.783 111.720 114.554 -0.084 0.000 2.932 675 T HA 0.486 4.836 4.350 0.000 0.000 0.289 675 T C -2.212 172.489 174.700 0.002 0.000 1.039 675 T CA -2.508 59.570 62.100 -0.037 0.000 1.024 675 T CB 1.817 70.672 68.868 -0.021 0.000 1.090 675 T HN -0.275 nan 8.240 nan 0.000 0.496 676 P HA -0.072 nan 4.420 nan 0.000 0.219 676 P C 0.923 178.239 177.300 0.026 0.000 1.146 676 P CA 0.887 63.999 63.100 0.020 0.000 0.808 676 P CB 0.084 31.792 31.700 0.014 0.000 0.779 677 E N -1.489 118.723 120.200 0.020 0.000 2.411 677 E HA 0.105 4.455 4.350 0.000 0.000 0.204 677 E C 0.192 176.809 176.600 0.028 0.000 1.059 677 E CA 0.125 56.538 56.400 0.021 0.000 1.112 677 E CB -0.147 29.561 29.700 0.012 0.000 1.168 677 E HN 0.199 nan 8.360 nan 0.000 0.445 678 D N 0.578 121.003 120.400 0.043 0.000 2.614 678 D HA 0.033 4.674 4.640 0.000 0.000 0.129 678 D C 0.190 176.547 176.300 0.095 0.000 1.441 678 D CA 0.009 54.044 54.000 0.060 0.000 1.519 678 D CB 0.016 40.850 40.800 0.057 0.000 1.929 678 D HN 0.129 nan 8.370 nan 0.000 0.204 679 N N -0.101 118.688 118.700 0.148 0.000 2.116 679 N HA 0.095 4.836 4.740 0.000 0.000 0.230 679 N C 1.220 176.943 175.510 0.354 0.000 1.326 679 N CA -0.017 53.174 53.050 0.236 0.000 0.867 679 N CB 0.448 39.092 38.487 0.263 0.000 1.174 679 N HN 0.076 nan 8.380 nan 0.000 0.506 680 L N 1.055 122.407 121.223 0.215 0.000 2.054 680 L HA -0.228 4.113 4.340 0.000 0.000 0.220 680 L C 1.235 178.234 176.870 0.215 0.000 1.081 680 L CA 2.044 56.977 54.840 0.155 0.000 0.780 680 L CB -0.672 41.409 42.059 0.036 0.000 0.893 680 L HN 0.158 nan 8.230 nan 0.000 0.438 681 D N -1.754 118.748 120.400 0.171 0.000 2.116 681 D HA -0.255 4.385 4.640 0.000 0.000 0.193 681 D C 2.156 178.558 176.300 0.169 0.000 0.998 681 D CA 1.754 55.840 54.000 0.143 0.000 0.836 681 D CB -0.138 40.731 40.800 0.115 0.000 0.951 681 D HN 0.641 nan 8.370 nan 0.000 0.449 682 H N -1.323 117.820 119.070 0.123 0.000 2.423 682 H HA -0.069 4.487 4.556 0.000 0.000 0.297 682 H C 1.654 177.044 175.328 0.103 0.000 1.075 682 H CA 1.304 57.399 56.048 0.078 0.000 1.342 682 H CB -0.216 29.558 29.762 0.020 0.000 1.395 682 H HN 0.213 nan 8.280 nan 0.000 0.530 683 Y N 0.469 120.811 120.300 0.070 0.000 2.128 683 Y HA -0.226 4.324 4.550 0.000 0.000 0.284 683 Y C 2.579 178.477 175.900 -0.004 0.000 1.154 683 Y CA 1.633 59.771 58.100 0.064 0.000 1.149 683 Y CB 0.021 38.533 38.460 0.087 0.000 0.976 683 Y HN 0.150 nan 8.280 nan 0.000 0.505 684 R N 0.060 120.654 120.500 0.157 0.000 2.096 684 R HA -0.141 4.199 4.340 0.000 0.000 0.235 684 R C 1.534 177.833 176.300 -0.003 0.000 1.127 684 R CA 1.361 57.497 56.100 0.060 0.000 0.968 684 R CB -0.903 29.430 30.300 0.054 0.000 0.861 684 R HN 0.553 nan 8.270 nan 0.000 0.440 685 N N 0.738 119.406 118.700 -0.053 0.000 2.494 685 N HA -0.054 4.686 4.740 0.000 0.000 0.182 685 N C 0.488 175.905 175.510 -0.154 0.000 1.076 685 N CA 0.831 53.822 53.050 -0.098 0.000 0.908 685 N CB 0.203 38.640 38.487 -0.084 0.000 0.967 685 N HN 0.179 nan 8.380 nan 0.000 0.449 686 S N -0.187 115.405 115.700 -0.180 0.000 2.574 686 S HA 0.051 4.521 4.470 0.000 0.000 0.242 686 S C 0.547 175.192 174.600 0.075 0.000 0.982 686 S CA -0.775 57.382 58.200 -0.072 0.000 0.977 686 S CB -0.046 63.090 63.200 -0.106 0.000 0.814 686 S HN 0.126 nan 8.310 nan 0.000 0.464 687 T N -1.296 113.259 114.554 0.003 0.000 2.909 687 T HA 0.472 4.822 4.350 0.000 0.000 0.286 687 T C 1.263 175.943 174.700 -0.034 0.000 1.002 687 T CA -0.194 61.896 62.100 -0.017 0.000 1.074 687 T CB 1.582 70.417 68.868 -0.055 0.000 0.984 687 T HN 0.291 nan 8.240 nan 0.000 0.495 688 V N 2.854 122.738 119.914 -0.050 0.000 2.548 688 V HA -0.069 4.051 4.120 0.000 0.000 0.249 688 V C 2.197 178.254 176.094 -0.062 0.000 1.055 688 V CA 1.533 63.791 62.300 -0.070 0.000 1.065 688 V CB -1.092 30.675 31.823 -0.094 0.000 0.681 688 V HN 0.890 nan 8.190 nan 0.000 0.462 689 M N 2.131 121.686 119.600 -0.075 0.000 2.106 689 M HA -0.158 4.322 4.480 0.000 0.000 0.259 689 M C 2.444 178.716 176.300 -0.046 0.000 1.068 689 M CA 2.524 57.778 55.300 -0.077 0.000 1.100 689 M CB -0.957 31.611 32.600 -0.052 0.000 1.351 689 M HN 0.736 nan 8.290 nan 0.000 0.404 690 S N -0.625 115.057 115.700 -0.030 0.000 2.474 690 S HA -0.070 4.400 4.470 0.000 0.000 0.235 690 S C 1.835 176.434 174.600 -0.001 0.000 0.997 690 S CA 0.706 58.897 58.200 -0.015 0.000 0.949 690 S CB -0.393 62.797 63.200 -0.016 0.000 0.766 690 S HN 0.502 nan 8.310 nan 0.000 0.517 691 R N 0.489 120.998 120.500 0.014 0.000 2.359 691 R HA 0.449 4.789 4.340 0.000 0.000 0.231 691 R C 2.192 178.579 176.300 0.146 0.000 0.913 691 R CA 0.439 56.570 56.100 0.052 0.000 1.075 691 R CB -0.291 30.031 30.300 0.036 0.000 1.087 691 R HN 0.507 nan 8.270 nan 0.000 0.515 692 A N 1.505 124.373 122.820 0.081 0.000 1.873 692 A HA -0.304 4.016 4.320 0.000 0.000 0.218 692 A C 2.034 179.705 177.584 0.145 0.000 1.193 692 A CA 2.033 54.102 52.037 0.053 0.000 0.629 692 A CB -0.380 18.578 19.000 -0.071 0.000 0.826 692 A HN 0.343 nan 8.150 nan 0.000 0.447 693 E N 0.635 120.886 120.200 0.085 0.000 2.130 693 E HA -0.224 4.126 4.350 0.000 0.000 0.196 693 E C 1.534 178.190 176.600 0.093 0.000 0.998 693 E CA 1.844 58.289 56.400 0.076 0.000 0.806 693 E CB -0.329 29.397 29.700 0.043 0.000 0.738 693 E HN 0.587 nan 8.360 nan 0.000 0.459 694 N N -0.468 118.281 118.700 0.082 0.000 2.520 694 N HA -0.109 4.631 4.740 0.000 0.000 0.185 694 N C 0.713 176.198 175.510 -0.041 0.000 1.068 694 N CA 0.574 53.624 53.050 0.001 0.000 0.911 694 N CB -0.270 38.172 38.487 -0.075 0.000 0.961 694 N HN 0.243 nan 8.380 nan 0.000 0.446 695 F N 1.222 121.130 119.950 -0.069 0.000 2.771 695 F HA 0.054 4.582 4.527 0.000 0.000 0.299 695 F C 1.874 177.682 175.800 0.013 0.000 1.177 695 F CA 0.533 58.493 58.000 -0.068 0.000 1.450 695 F CB 0.037 38.956 39.000 -0.136 0.000 1.114 695 F HN -0.063 nan 8.300 nan 0.000 0.587 696 K N -0.141 120.351 120.400 0.154 0.000 2.442 696 K HA -0.132 4.188 4.320 0.000 0.000 0.198 696 K C 1.378 178.034 176.600 0.092 0.000 1.042 696 K CA 0.876 57.236 56.287 0.123 0.000 0.958 696 K CB -0.086 32.468 32.500 0.090 0.000 0.766 696 K HN 0.418 nan 8.250 nan 0.000 0.474 697 Q N 0.028 119.864 119.800 0.059 0.000 2.282 697 Q HA 0.055 4.396 4.340 0.000 0.000 0.206 697 Q C 0.168 176.205 176.000 0.062 0.000 0.878 697 Q CA -0.128 55.702 55.803 0.045 0.000 0.944 697 Q CB 0.996 29.742 28.738 0.014 0.000 1.100 697 Q HN 0.095 nan 8.270 nan 0.000 0.509 698 V N -2.778 117.186 119.914 0.083 0.000 3.126 698 V HA 0.543 4.663 4.120 0.000 0.000 0.314 698 V C -1.202 175.028 176.094 0.226 0.000 1.138 698 V CA -1.233 61.140 62.300 0.122 0.000 1.034 698 V CB 2.336 34.182 31.823 0.037 0.000 1.075 698 V HN -0.040 nan 8.190 nan 0.000 0.442 699 E N 1.412 121.779 120.200 0.278 0.000 2.133 699 E HA 0.521 4.871 4.350 0.000 0.000 0.274 699 E C -1.855 175.113 176.600 0.613 0.000 0.930 699 E CA -0.334 56.301 56.400 0.393 0.000 0.770 699 E CB 1.859 31.719 29.700 0.266 0.000 1.104 699 E HN 0.698 nan 8.360 nan 0.000 0.403 700 Y N 3.342 123.906 120.300 0.440 0.000 2.409 700 Y HA 0.544 5.094 4.550 0.000 0.000 0.343 700 Y C -1.793 174.186 175.900 0.132 0.000 0.973 700 Y CA -1.575 56.726 58.100 0.335 0.000 1.064 700 Y CB 1.123 39.822 38.460 0.399 0.000 1.207 700 Y HN 0.454 nan 8.280 nan 0.000 0.452 701 L N 7.641 128.562 121.223 -0.503 0.000 2.376 701 L HA 0.648 4.988 4.340 0.000 0.000 0.275 701 L C -2.305 174.120 176.870 -0.741 0.000 0.987 701 L CA -0.787 53.614 54.840 -0.733 0.000 0.828 701 L CB 1.478 42.775 42.059 -1.270 0.000 1.249 701 L HN 0.645 nan 8.230 nan 0.000 0.409 702 L N 6.505 127.380 121.223 -0.579 0.000 2.333 702 L HA 0.719 5.059 4.340 0.000 0.000 0.280 702 L C -1.301 175.446 176.870 -0.205 0.000 1.004 702 L CA -0.069 54.492 54.840 -0.465 0.000 0.820 702 L CB 1.372 43.172 42.059 -0.432 0.000 1.247 702 L HN 0.605 nan 8.230 nan 0.000 0.416 703 I N 4.525 124.985 120.570 -0.183 0.000 2.498 703 I HA 0.461 4.631 4.170 0.000 0.000 0.290 703 I C -1.168 174.926 176.117 -0.038 0.000 1.032 703 I CA -0.635 60.615 61.300 -0.083 0.000 1.073 703 I CB 2.007 39.913 38.000 -0.157 0.000 1.251 703 I HN 0.688 nan 8.210 nan 0.000 0.426 704 H N 2.498 121.617 119.070 0.081 0.000 3.038 704 H HA 0.505 5.061 4.556 0.000 0.000 0.362 704 H C -0.288 175.262 175.328 0.370 0.000 1.167 704 H CA -0.633 55.501 56.048 0.143 0.000 1.197 704 H CB 2.043 31.826 29.762 0.035 0.000 1.840 704 H HN 0.739 nan 8.280 nan 0.000 0.540 705 G N 0.954 110.111 108.800 0.595 0.000 2.390 705 G HA2 0.197 4.158 3.960 0.000 0.000 0.270 705 G HA3 0.197 4.158 3.960 0.000 0.000 0.270 705 G C 1.109 176.304 174.900 0.493 0.000 1.211 705 G CA 0.150 45.554 45.100 0.507 0.000 0.842 705 G HN 0.750 nan 8.290 nan 0.000 0.519 706 T N -0.694 114.034 114.554 0.289 0.000 3.023 706 T HA 0.120 4.470 4.350 0.000 0.000 0.266 706 T C 1.755 176.439 174.700 -0.026 0.000 1.093 706 T CA 1.182 63.298 62.100 0.026 0.000 1.129 706 T CB 0.201 69.005 68.868 -0.107 0.000 0.899 706 T HN 0.658 nan 8.240 nan 0.000 0.491 707 A N 1.121 123.977 122.820 0.061 0.000 2.577 707 A HA 0.304 4.624 4.320 0.000 0.000 0.280 707 A C 0.439 177.935 177.584 -0.146 0.000 1.331 707 A CA -0.482 51.527 52.037 -0.048 0.000 0.935 707 A CB -0.356 18.897 19.000 0.421 0.000 1.082 707 A HN 0.372 nan 8.150 nan 0.000 0.525 708 D N 1.470 121.832 120.400 -0.063 0.000 2.346 708 D HA -0.004 4.637 4.640 0.000 0.000 0.260 708 D C 0.443 176.745 176.300 0.004 0.000 1.252 708 D CA 0.132 54.219 54.000 0.146 0.000 0.895 708 D CB 0.702 41.752 40.800 0.415 0.000 1.097 708 D HN 0.547 nan 8.370 nan 0.000 0.489 709 D N 2.364 122.839 120.400 0.125 0.000 2.289 709 D HA -0.119 4.521 4.640 0.000 0.000 0.207 709 D C 1.080 177.458 176.300 0.130 0.000 0.966 709 D CA 0.236 54.288 54.000 0.086 0.000 0.868 709 D CB 0.114 40.899 40.800 -0.026 0.000 0.943 709 D HN 0.421 nan 8.370 nan 0.000 0.514 710 N N -0.053 118.809 118.700 0.269 0.000 2.187 710 N HA -0.036 4.704 4.740 0.000 0.000 0.190 710 N C -0.173 175.368 175.510 0.052 0.000 1.052 710 N CA 0.464 53.707 53.050 0.322 0.000 0.863 710 N CB 0.585 39.198 38.487 0.210 0.000 1.041 710 N HN -0.158 nan 8.380 nan 0.000 0.447 711 V N 2.089 122.024 119.914 0.036 0.000 2.318 711 V HA 0.203 4.323 4.120 0.000 0.000 0.271 711 V C -0.930 175.269 176.094 0.175 0.000 1.030 711 V CA -0.373 61.964 62.300 0.063 0.000 0.844 711 V CB 0.262 32.158 31.823 0.123 0.000 1.015 711 V HN 0.339 nan 8.190 nan 0.000 0.460 712 H N 3.495 122.581 119.070 0.026 0.000 2.815 712 H HA 0.051 4.607 4.556 0.000 0.000 0.350 712 H C 0.801 175.995 175.328 -0.223 0.000 1.080 712 H CA -0.230 55.747 56.048 -0.119 0.000 1.433 712 H CB 0.885 30.497 29.762 -0.248 0.000 1.432 712 H HN 0.645 nan 8.280 nan 0.000 0.592 713 F N 2.135 121.883 119.950 -0.338 0.000 2.147 713 F HA -0.347 4.180 4.527 0.000 0.000 0.301 713 F C 2.605 178.146 175.800 -0.433 0.000 1.084 713 F CA 1.933 59.533 58.000 -0.667 0.000 1.268 713 F CB -0.179 38.612 39.000 -0.349 0.000 1.009 713 F HN 0.677 nan 8.300 nan 0.000 0.486 714 Q N 0.182 119.885 119.800 -0.163 0.000 2.142 714 Q HA -0.353 3.987 4.340 0.000 0.000 0.213 714 Q C 2.138 177.945 176.000 -0.321 0.000 1.004 714 Q CA 2.575 58.234 55.803 -0.240 0.000 0.883 714 Q CB -0.412 28.156 28.738 -0.283 0.000 0.939 714 Q HN 0.616 nan 8.270 nan 0.000 0.413 715 Q N -0.449 119.206 119.800 -0.242 0.000 2.061 715 Q HA -0.136 4.204 4.340 0.000 0.000 0.204 715 Q C 2.276 178.209 176.000 -0.112 0.000 0.984 715 Q CA 1.785 57.559 55.803 -0.049 0.000 0.846 715 Q CB -0.143 28.637 28.738 0.072 0.000 0.902 715 Q HN 0.345 nan 8.270 nan 0.000 0.421 716 S N 0.661 116.192 115.700 -0.283 0.000 2.387 716 S HA -0.016 4.454 4.470 0.000 0.000 0.226 716 S C 2.057 176.425 174.600 -0.386 0.000 1.026 716 S CA 0.730 58.748 58.200 -0.303 0.000 0.972 716 S CB -0.114 62.893 63.200 -0.322 0.000 0.814 716 S HN 0.476 nan 8.310 nan 0.000 0.477 717 A N 1.508 124.000 122.820 -0.547 0.000 1.940 717 A HA -0.147 4.173 4.320 0.000 0.000 0.219 717 A C 2.111 179.616 177.584 -0.131 0.000 1.176 717 A CA 1.184 53.047 52.037 -0.290 0.000 0.631 717 A CB -0.417 18.493 19.000 -0.151 0.000 0.814 717 A HN 0.388 nan 8.150 nan 0.000 0.446 718 Q N -0.458 119.275 119.800 -0.113 0.000 2.172 718 Q HA 0.004 4.344 4.340 0.000 0.000 0.200 718 Q C 2.117 178.078 176.000 -0.066 0.000 0.964 718 Q CA 0.951 56.736 55.803 -0.030 0.000 0.855 718 Q CB -0.319 28.477 28.738 0.096 0.000 0.918 718 Q HN 0.787 nan 8.270 nan 0.000 0.444 719 I N 1.180 121.682 120.570 -0.113 0.000 2.142 719 I HA -0.274 3.896 4.170 0.000 0.000 0.240 719 I C 2.624 178.578 176.117 -0.273 0.000 1.078 719 I CA 1.516 62.700 61.300 -0.193 0.000 1.343 719 I CB -0.542 37.351 38.000 -0.179 0.000 1.046 719 I HN 0.191 nan 8.210 nan 0.000 0.405 720 S N 1.051 116.626 115.700 -0.207 0.000 2.368 720 S HA -0.283 4.188 4.470 0.000 0.000 0.225 720 S C 2.070 176.661 174.600 -0.015 0.000 1.030 720 S CA 1.582 59.710 58.200 -0.119 0.000 0.999 720 S CB -0.431 62.872 63.200 0.172 0.000 0.844 720 S HN 0.394 nan 8.310 nan 0.000 0.459 721 K N 1.518 121.906 120.400 -0.019 0.000 2.057 721 K HA 0.054 4.374 4.320 0.000 0.000 0.207 721 K C 2.318 178.903 176.600 -0.024 0.000 1.049 721 K CA 1.093 57.383 56.287 0.005 0.000 0.931 721 K CB -0.712 31.791 32.500 0.005 0.000 0.714 721 K HN 0.449 nan 8.250 nan 0.000 0.440 722 A N 1.266 124.041 122.820 -0.075 0.000 1.908 722 A HA -0.141 4.179 4.320 0.000 0.000 0.218 722 A C 2.100 179.618 177.584 -0.110 0.000 1.181 722 A CA 1.455 53.438 52.037 -0.091 0.000 0.627 722 A CB -0.653 18.273 19.000 -0.125 0.000 0.818 722 A HN 0.334 nan 8.150 nan 0.000 0.445 723 L N -0.652 120.453 121.223 -0.197 0.000 2.093 723 L HA -0.133 4.207 4.340 0.000 0.000 0.208 723 L C 2.507 179.398 176.870 0.036 0.000 1.085 723 L CA 0.869 55.601 54.840 -0.179 0.000 0.755 723 L CB -0.593 41.169 42.059 -0.494 0.000 0.904 723 L HN 0.242 nan 8.230 nan 0.000 0.435 724 V N -0.152 119.820 119.914 0.097 0.000 2.295 724 V HA -0.288 3.832 4.120 0.000 0.000 0.246 724 V C 2.086 178.220 176.094 0.067 0.000 1.049 724 V CA 1.909 64.284 62.300 0.126 0.000 1.024 724 V CB -0.518 31.378 31.823 0.123 0.000 0.648 724 V HN 0.436 nan 8.190 nan 0.000 0.447 725 D N 0.422 120.843 120.400 0.035 0.000 2.218 725 D HA -0.116 4.525 4.640 0.000 0.000 0.204 725 D C 1.882 178.197 176.300 0.025 0.000 0.976 725 D CA 1.783 55.798 54.000 0.025 0.000 0.853 725 D CB -0.109 40.698 40.800 0.012 0.000 0.939 725 D HN 0.570 nan 8.370 nan 0.000 0.481 726 V N -3.575 116.353 119.914 0.024 0.000 3.647 726 V HA 0.466 4.586 4.120 0.000 0.000 0.279 726 V C 1.362 177.486 176.094 0.050 0.000 1.314 726 V CA 0.476 62.795 62.300 0.031 0.000 1.125 726 V CB -0.034 31.804 31.823 0.026 0.000 0.907 726 V HN 0.168 nan 8.190 nan 0.000 0.434 727 G N 0.382 109.220 108.800 0.064 0.000 2.160 727 G HA2 -0.197 3.763 3.960 0.000 0.000 0.244 727 G HA3 -0.197 3.763 3.960 0.000 0.000 0.244 727 G C -0.016 174.949 174.900 0.109 0.000 1.022 727 G CA 0.134 45.282 45.100 0.080 0.000 0.741 727 G HN 0.797 nan 8.290 nan 0.000 0.508 728 V N 0.703 120.699 119.914 0.136 0.000 2.461 728 V HA 0.443 4.564 4.120 0.000 0.000 0.275 728 V C 0.528 176.811 176.094 0.315 0.000 1.047 728 V CA -0.219 62.196 62.300 0.191 0.000 0.955 728 V CB 1.640 33.562 31.823 0.165 0.000 0.988 728 V HN 0.432 nan 8.190 nan 0.000 0.471 729 D N 4.179 124.743 120.400 0.273 0.000 2.255 729 D HA 0.607 5.247 4.640 0.000 0.000 0.249 729 D C -0.593 175.945 176.300 0.397 0.000 1.078 729 D CA 0.050 54.199 54.000 0.249 0.000 0.896 729 D CB 0.791 41.664 40.800 0.121 0.000 1.194 729 D HN 0.370 nan 8.370 nan 0.000 0.429 730 F N -0.218 119.802 119.950 0.117 0.000 2.741 730 F HA 0.461 4.988 4.527 0.000 0.000 0.313 730 F C -1.186 174.655 175.800 0.068 0.000 1.153 730 F CA -1.201 56.885 58.000 0.142 0.000 0.931 730 F CB 0.840 39.951 39.000 0.185 0.000 1.335 730 F HN 0.060 nan 8.300 nan 0.000 0.460 731 Q N 1.444 121.300 119.800 0.093 0.000 2.214 731 Q HA 0.793 5.133 4.340 0.000 0.000 0.251 731 Q C -0.756 175.212 176.000 -0.053 0.000 0.936 731 Q CA -0.719 55.048 55.803 -0.059 0.000 0.894 731 Q CB 2.026 30.744 28.738 -0.034 0.000 1.252 731 Q HN 0.994 nan 8.270 nan 0.000 0.448 732 A N 1.589 124.358 122.820 -0.085 0.000 2.539 732 A HA 0.824 5.144 4.320 0.000 0.000 0.296 732 A C -1.329 176.199 177.584 -0.092 0.000 1.073 732 A CA -0.577 51.445 52.037 -0.025 0.000 0.700 732 A CB 1.914 20.947 19.000 0.054 0.000 1.296 732 A HN 0.618 nan 8.150 nan 0.000 0.405 733 M N 1.637 121.182 119.600 -0.092 0.000 2.255 733 M HA 0.572 5.053 4.480 0.000 0.000 0.275 733 M C -1.885 174.357 176.300 -0.097 0.000 1.050 733 M CA -0.477 54.652 55.300 -0.285 0.000 0.978 733 M CB 1.174 33.511 32.600 -0.438 0.000 1.761 733 M HN 0.943 nan 8.290 nan 0.000 0.479 734 W N 4.453 125.650 121.300 -0.173 0.000 2.516 734 W HA 0.769 5.429 4.660 0.000 0.000 0.343 734 W C -2.019 174.309 176.519 -0.319 0.000 1.094 734 W CA -0.840 56.485 57.345 -0.033 0.000 1.250 734 W CB 0.363 29.838 29.460 0.025 0.000 1.308 734 W HN 0.611 nan 8.180 nan 0.000 0.588 735 Y N 2.355 122.806 120.300 0.251 0.000 2.376 735 Y HA 0.296 4.847 4.550 0.000 0.000 0.326 735 Y C 0.466 176.500 175.900 0.224 0.000 0.970 735 Y CA -1.042 57.123 58.100 0.109 0.000 1.248 735 Y CB 1.445 39.935 38.460 0.050 0.000 1.117 735 Y HN 0.416 nan 8.280 nan 0.000 0.476 736 T N 4.576 119.315 114.554 0.308 0.000 2.831 736 T HA -0.017 4.333 4.350 0.000 0.000 0.291 736 T C 0.118 174.907 174.700 0.150 0.000 0.981 736 T CA 0.587 62.820 62.100 0.222 0.000 1.174 736 T CB -0.138 68.803 68.868 0.123 0.000 0.929 736 T HN 0.708 nan 8.240 nan 0.000 0.532 737 D N 0.870 121.336 120.400 0.110 0.000 3.079 737 D HA -0.119 4.521 4.640 0.000 0.000 0.214 737 D C 0.202 176.626 176.300 0.207 0.000 1.145 737 D CA 1.050 55.052 54.000 0.004 0.000 0.958 737 D CB -0.423 40.184 40.800 -0.320 0.000 1.117 737 D HN 0.575 nan 8.370 nan 0.000 0.416 738 E N 0.884 121.231 120.200 0.245 0.000 2.277 738 E HA 0.358 4.709 4.350 0.000 0.000 0.274 738 E C 0.722 177.497 176.600 0.292 0.000 1.022 738 E CA -0.349 56.209 56.400 0.263 0.000 0.853 738 E CB 1.355 31.202 29.700 0.245 0.000 1.086 738 E HN 0.323 nan 8.360 nan 0.000 0.397 739 D N -0.508 120.073 120.400 0.301 0.000 2.560 739 D HA 0.006 4.646 4.640 0.000 0.000 0.277 739 D C 1.045 177.561 176.300 0.361 0.000 1.194 739 D CA -0.225 53.976 54.000 0.335 0.000 1.092 739 D CB -0.119 40.906 40.800 0.374 0.000 1.169 739 D HN 0.415 nan 8.370 nan 0.000 0.607 740 H N -1.614 117.630 119.070 0.290 0.000 2.456 740 H HA 0.090 4.646 4.556 0.000 0.000 0.296 740 H C 1.918 177.463 175.328 0.361 0.000 1.079 740 H CA 2.113 58.351 56.048 0.317 0.000 1.322 740 H CB -0.351 29.578 29.762 0.278 0.000 1.388 740 H HN 0.496 nan 8.280 nan 0.000 0.538 741 G N -0.251 108.686 108.800 0.230 0.000 2.623 741 G HA2 -0.030 3.930 3.960 0.000 0.000 0.214 741 G HA3 -0.030 3.930 3.960 0.000 0.000 0.214 741 G C 0.699 175.705 174.900 0.177 0.000 1.138 741 G CA 0.299 45.435 45.100 0.060 0.000 0.794 741 G HN 0.522 nan 8.290 nan 0.000 0.535 742 I N 0.122 120.853 120.570 0.270 0.000 3.859 742 I HA -0.335 3.835 4.170 0.000 0.000 0.126 742 I C 1.589 177.800 176.117 0.157 0.000 1.065 742 I CA 0.155 61.569 61.300 0.190 0.000 2.735 742 I CB -1.021 37.049 38.000 0.116 0.000 1.465 742 I HN 0.255 nan 8.210 nan 0.000 0.341 743 A N 0.504 123.399 122.820 0.126 0.000 2.390 743 A HA 0.303 4.623 4.320 0.000 0.000 0.232 743 A C 1.122 178.750 177.584 0.072 0.000 1.233 743 A CA 0.069 52.152 52.037 0.077 0.000 0.907 743 A CB 0.238 19.248 19.000 0.018 0.000 0.967 743 A HN 0.419 nan 8.150 nan 0.000 0.512 744 S N 0.304 116.064 115.700 0.100 0.000 2.558 744 S HA 0.049 4.520 4.470 0.000 0.000 0.287 744 S C 1.525 176.187 174.600 0.103 0.000 1.321 744 S CA 0.467 58.724 58.200 0.095 0.000 1.048 744 S CB 1.111 64.373 63.200 0.103 0.000 0.844 744 S HN 0.545 nan 8.310 nan 0.000 0.512 745 S N 2.217 117.964 115.700 0.079 0.000 2.368 745 S HA -0.209 4.261 4.470 0.000 0.000 0.226 745 S C 2.363 177.031 174.600 0.114 0.000 1.044 745 S CA 2.270 60.521 58.200 0.085 0.000 1.062 745 S CB -0.826 62.405 63.200 0.052 0.000 0.931 745 S HN 0.981 nan 8.310 nan 0.000 0.440 746 T N -0.398 114.212 114.554 0.094 0.000 2.777 746 T HA 0.150 4.500 4.350 0.000 0.000 0.266 746 T C 1.894 176.668 174.700 0.124 0.000 1.040 746 T CA 1.365 63.523 62.100 0.097 0.000 1.141 746 T CB -0.766 68.149 68.868 0.079 0.000 0.868 746 T HN 0.420 nan 8.240 nan 0.000 0.444 747 A N 1.355 124.237 122.820 0.104 0.000 1.897 747 A HA -0.015 4.305 4.320 0.000 0.000 0.215 747 A C 2.194 179.775 177.584 -0.005 0.000 1.181 747 A CA 1.841 53.899 52.037 0.035 0.000 0.620 747 A CB -1.253 17.718 19.000 -0.047 0.000 0.821 747 A HN 0.775 nan 8.150 nan 0.000 0.443 748 H N -0.021 119.051 119.070 0.004 0.000 2.319 748 H HA -0.181 4.375 4.556 0.000 0.000 0.297 748 H C 2.064 177.470 175.328 0.130 0.000 1.097 748 H CA 2.436 58.536 56.048 0.088 0.000 1.285 748 H CB -0.248 29.561 29.762 0.078 0.000 1.368 748 H HN 0.574 nan 8.280 nan 0.000 0.495 749 Q N -0.944 118.834 119.800 -0.036 0.000 2.050 749 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 749 Q C 2.300 178.284 176.000 -0.026 0.000 0.980 749 Q CA 1.458 57.206 55.803 -0.092 0.000 0.840 749 Q CB -0.245 28.484 28.738 -0.015 0.000 0.898 749 Q HN 0.635 nan 8.270 nan 0.000 0.424 750 H N 0.601 119.658 119.070 -0.022 0.000 2.353 750 H HA -0.090 4.466 4.556 0.000 0.000 0.300 750 H C 2.059 177.409 175.328 0.036 0.000 1.090 750 H CA 1.423 57.497 56.048 0.044 0.000 1.327 750 H CB -0.049 29.802 29.762 0.148 0.000 1.383 750 H HN 0.285 nan 8.280 nan 0.000 0.508 751 I N 0.045 120.641 120.570 0.044 0.000 2.142 751 I HA -0.336 3.834 4.170 0.000 0.000 0.240 751 I C 1.926 177.840 176.117 -0.339 0.000 1.078 751 I CA 1.325 62.539 61.300 -0.145 0.000 1.343 751 I CB -0.324 37.401 38.000 -0.459 0.000 1.046 751 I HN 0.160 nan 8.210 nan 0.000 0.405 752 Y N 0.957 121.058 120.300 -0.332 0.000 2.224 752 Y HA -0.259 4.291 4.550 0.000 0.000 0.289 752 Y C 2.707 178.392 175.900 -0.358 0.000 1.146 752 Y CA 2.094 59.881 58.100 -0.522 0.000 1.182 752 Y CB -0.672 37.492 38.460 -0.494 0.000 0.983 752 Y HN 0.205 nan 8.280 nan 0.000 0.524 753 T N -1.764 112.711 114.554 -0.131 0.000 2.737 753 T HA -0.246 4.104 4.350 0.000 0.000 0.265 753 T C 1.516 176.093 174.700 -0.204 0.000 1.038 753 T CA 1.822 63.805 62.100 -0.195 0.000 1.144 753 T CB -0.547 68.202 68.868 -0.199 0.000 0.866 753 T HN 0.412 nan 8.240 nan 0.000 0.434 754 H N 1.000 119.943 119.070 -0.211 0.000 2.352 754 H HA 0.063 4.620 4.556 0.000 0.000 0.299 754 H C 2.153 177.462 175.328 -0.032 0.000 1.097 754 H CA 1.626 57.623 56.048 -0.084 0.000 1.311 754 H CB -0.286 29.427 29.762 -0.080 0.000 1.377 754 H HN 0.256 nan 8.280 nan 0.000 0.504 755 M N -0.968 118.561 119.600 -0.118 0.000 2.229 755 M HA -0.140 4.340 4.480 0.000 0.000 0.264 755 M C 2.411 178.798 176.300 0.145 0.000 1.063 755 M CA 1.268 56.502 55.300 -0.109 0.000 1.114 755 M CB 0.076 32.389 32.600 -0.477 0.000 1.387 755 M HN 0.199 nan 8.290 nan 0.000 0.420 756 S N -0.431 115.370 115.700 0.169 0.000 2.356 756 S HA -0.173 4.297 4.470 0.000 0.000 0.223 756 S C 1.569 176.251 174.600 0.138 0.000 1.032 756 S CA 1.331 59.722 58.200 0.318 0.000 1.005 756 S CB -0.587 62.790 63.200 0.295 0.000 0.867 756 S HN 0.553 nan 8.310 nan 0.000 0.449 757 H N -0.604 118.514 119.070 0.079 0.000 2.319 757 H HA -0.114 4.443 4.556 0.000 0.000 0.299 757 H C 1.954 177.278 175.328 -0.006 0.000 1.092 757 H CA 1.765 57.817 56.048 0.006 0.000 1.302 757 H CB -0.224 29.493 29.762 -0.074 0.000 1.373 757 H HN 0.349 nan 8.280 nan 0.000 0.497 758 F N 1.140 121.066 119.950 -0.041 0.000 2.069 758 F HA -0.232 4.295 4.527 0.000 0.000 0.298 758 F C 2.107 177.850 175.800 -0.094 0.000 1.113 758 F CA 1.165 59.110 58.000 -0.091 0.000 1.214 758 F CB -0.261 38.662 39.000 -0.129 0.000 0.978 758 F HN 0.062 nan 8.300 nan 0.000 0.474 759 I N 0.296 120.826 120.570 -0.067 0.000 2.286 759 I HA -0.267 3.903 4.170 0.000 0.000 0.248 759 I C 2.238 178.160 176.117 -0.325 0.000 1.115 759 I CA 1.464 62.562 61.300 -0.336 0.000 1.392 759 I CB -1.287 36.593 38.000 -0.200 0.000 1.065 759 I HN 0.213 nan 8.210 nan 0.000 0.418 760 K N 0.279 120.630 120.400 -0.082 0.000 2.097 760 K HA -0.216 4.104 4.320 0.000 0.000 0.205 760 K C 2.137 178.727 176.600 -0.017 0.000 1.050 760 K CA 1.097 57.390 56.287 0.010 0.000 0.938 760 K CB -0.104 32.453 32.500 0.095 0.000 0.718 760 K HN 0.133 nan 8.250 nan 0.000 0.442 761 Q N 0.606 120.361 119.800 -0.076 0.000 2.020 761 Q HA -0.210 4.130 4.340 0.000 0.000 0.202 761 Q C 2.239 178.150 176.000 -0.147 0.000 0.982 761 Q CA 1.980 57.722 55.803 -0.102 0.000 0.838 761 Q CB -0.549 28.106 28.738 -0.138 0.000 0.899 761 Q HN 0.442 nan 8.270 nan 0.000 0.423 762 c N -0.477 117.929 118.600 -0.323 0.000 2.429 762 c HA -0.082 4.488 4.570 0.000 0.000 0.277 762 c C 1.921 176.008 174.090 -0.005 0.000 1.262 762 c CA 0.527 56.673 56.329 -0.304 0.000 1.733 762 c CB -1.251 40.890 42.510 -0.616 0.000 2.010 762 c HN 0.590 nan 8.230 nan 0.000 0.483 763 F N 1.785 121.689 119.950 -0.076 0.000 2.773 763 F HA 0.232 4.760 4.527 0.001 0.000 0.304 763 F C 1.699 177.484 175.800 -0.025 0.000 1.129 763 F CA 0.514 58.494 58.000 -0.033 0.000 1.378 763 F CB -1.244 37.745 39.000 -0.018 0.000 1.095 763 F HN 0.254 nan 8.300 nan 0.000 0.565 764 S N 0.628 116.409 115.700 0.136 0.000 3.641 764 S HA -0.213 4.257 4.470 0.000 0.000 0.346 764 S C 0.114 174.760 174.600 0.076 0.000 1.074 764 S CA 0.083 58.329 58.200 0.075 0.000 1.026 764 S CB -2.057 61.176 63.200 0.056 0.000 0.908 764 S HN 0.242 nan 8.310 nan 0.000 0.479 765 L N 2.253 123.534 121.223 0.098 0.000 2.265 765 L HA 0.394 4.734 4.340 0.000 0.000 0.288 765 L C -1.038 175.875 176.870 0.071 0.000 1.058 765 L CA -1.860 53.033 54.840 0.087 0.000 0.809 765 L CB 0.487 42.614 42.059 0.114 0.000 1.179 765 L HN 0.070 nan 8.230 nan 0.000 0.429 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.133 63.100 0.055 0.000 0.800 766 P CB 0.000 31.726 31.700 0.042 0.000 0.726