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 3ac0_1_B DATA FIRST_RESID 3 DATA SEQUENCE KFDVEQLLSE LNQDEKISLL SAVDFWHTKK IERLGIPAVR VSDGPNGIRG DATA SEQUENCE TKFFDGVPSG CFPNGTGLAS TFDRDLLETA GKLMAKESIA KNAAVILGPT DATA SEQUENCE TNMQRGPLGG RGFESFSEDP YLAGMATSSV VKGMQGEGIA ATVKHFVCND DATA SEQUENCE LEDQRFSSNS IVSERALREI YLEPFRLAVK HANPVCIMTA YNKVNGEHCS DATA SEQUENCE QSKKLLIDIL RDEWKWDGML MSDWFGTYTT AAAIKNGLDI EFPGPTRWRT DATA SEQUENCE RALVSHSLNS REQITTEDVD DRVRQVLKMI KFVVDNLEKT GIVENGPEST DATA SEQUENCE SNNTKETSDL LRKIAADSIV LLKNKNNILP LKKEDNIIVI GPNAKAKTSS DATA SEQUENCE GGGSASMNSY YVVSPYEGIV NKLGKEVDYT VGAYSHKSIG GLAESSLIDA DATA SEQUENCE AKPADAENSG LIAKFYSNPX XXRSDDEEPF HVTKVNRSNV HLXXFKHEKV DATA SEQUENCE DPKNPYFFVT LTGQYVPQED GDYIFSLQVY GSGLFYLNDE LIIDQKHNQE DATA SEQUENCE RGXXXXGAGT KERTKKLTLK KGQVYNVRVE YGSGPXXXXX XXXXAGGFQA DATA SEQUENCE GVIKAIDDDE EIRNAAELAA KHDKAVLIIG LNGEWETEGY DRENMDLPKR DATA SEQUENCE TNELVRAVLK ANPNTVIVNQ SGTPVEFPWL EDANALVQAW YGGNELGNAI DATA SEQUENCE ADVLYGDVVP NGKLSLSWPF KLQDNPAFLN FKTEFGRVIY GEDIFVGYRY DATA SEQUENCE YEKLQRKVAF PFGYGLSYTT FELDISDFKV TDDKIAISVD VKNTGDKFAG DATA SEQUENCE SEVVQVYFSA LNSKVSRPVK ELKGFEKVHL EPGEKKTVNI DLELKDAISY DATA SEQUENCE FNEELGKWHV EAGEYLVSVG TSSDDILSVK EFKVEKELYW KGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.685 176.600 0.141 0.000 0.988 3 K CA 0.000 56.334 56.287 0.079 0.000 0.838 3 K CB 0.000 32.523 32.500 0.038 0.000 1.064 4 F N 2.944 122.891 119.950 -0.004 0.000 2.499 4 F HA 0.365 4.891 4.527 -0.001 0.000 0.333 4 F C -0.501 175.299 175.800 0.001 0.000 1.138 4 F CA -0.713 57.287 58.000 0.001 0.000 0.945 4 F CB 1.020 40.022 39.000 0.003 0.000 1.181 4 F HN 0.201 nan 8.300 nan 0.000 0.435 5 D N 5.835 126.155 120.400 -0.134 0.000 2.392 5 D HA 0.213 4.853 4.640 -0.000 0.000 0.228 5 D C 0.895 177.133 176.300 -0.104 0.000 1.074 5 D CA -0.114 53.852 54.000 -0.056 0.000 0.838 5 D CB 1.916 42.672 40.800 -0.073 0.000 1.067 5 D HN 0.416 nan 8.370 nan 0.000 0.511 6 V N 4.370 124.308 119.914 0.041 0.000 2.233 6 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 6 V C 2.266 178.352 176.094 -0.013 0.000 1.050 6 V CA 1.435 63.762 62.300 0.045 0.000 1.010 6 V CB -0.299 31.584 31.823 0.100 0.000 0.637 6 V HN 0.579 nan 8.190 nan 0.000 0.444 7 E N 0.286 120.481 120.200 -0.007 0.000 2.110 7 E HA -0.272 4.078 4.350 -0.000 0.000 0.193 7 E C 2.289 178.868 176.600 -0.034 0.000 0.988 7 E CA 1.712 58.102 56.400 -0.016 0.000 0.804 7 E CB -0.331 29.364 29.700 -0.008 0.000 0.745 7 E HN 0.877 nan 8.360 nan 0.000 0.458 8 Q N 0.707 120.478 119.800 -0.049 0.000 2.167 8 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 8 Q C 2.162 178.114 176.000 -0.080 0.000 0.970 8 Q CA 1.011 56.779 55.803 -0.059 0.000 0.855 8 Q CB -0.257 28.447 28.738 -0.056 0.000 0.911 8 Q HN 0.216 nan 8.270 nan 0.000 0.438 9 L N 0.011 121.163 121.223 -0.118 0.000 2.072 9 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 9 L C 2.382 179.208 176.870 -0.075 0.000 1.079 9 L CA 0.575 55.334 54.840 -0.134 0.000 0.752 9 L CB -0.418 41.498 42.059 -0.237 0.000 0.906 9 L HN 0.309 nan 8.230 nan 0.000 0.436 10 L N -0.114 121.079 121.223 -0.051 0.000 2.042 10 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 10 L C 2.783 179.637 176.870 -0.027 0.000 1.076 10 L CA 2.144 56.968 54.840 -0.027 0.000 0.749 10 L CB -0.516 41.534 42.059 -0.014 0.000 0.893 10 L HN 0.389 nan 8.230 nan 0.000 0.432 11 S N -1.738 113.944 115.700 -0.031 0.000 2.447 11 S HA -0.160 4.309 4.470 -0.000 0.000 0.233 11 S C 1.705 176.288 174.600 -0.028 0.000 1.006 11 S CA 1.299 59.483 58.200 -0.026 0.000 0.957 11 S CB -0.491 62.694 63.200 -0.026 0.000 0.773 11 S HN 0.689 nan 8.310 nan 0.000 0.507 12 E N 0.295 120.472 120.200 -0.038 0.000 2.307 12 E HA 0.283 4.633 4.350 -0.000 0.000 0.195 12 E C -0.095 176.486 176.600 -0.032 0.000 0.975 12 E CA -0.232 56.146 56.400 -0.037 0.000 0.878 12 E CB 0.052 29.722 29.700 -0.049 0.000 0.845 12 E HN 0.478 nan 8.360 nan 0.000 0.488 13 L N 3.230 124.434 121.223 -0.032 0.000 2.456 13 L HA 0.015 4.354 4.340 -0.000 0.000 0.272 13 L C 0.510 177.370 176.870 -0.016 0.000 1.189 13 L CA -0.579 54.247 54.840 -0.023 0.000 0.846 13 L CB -0.015 42.033 42.059 -0.019 0.000 1.111 13 L HN 0.152 nan 8.230 nan 0.000 0.475 14 N N 1.494 120.186 118.700 -0.014 0.000 2.347 14 N HA 0.008 4.748 4.740 -0.000 0.000 0.253 14 N C 0.445 175.951 175.510 -0.007 0.000 1.274 14 N CA -0.421 52.623 53.050 -0.010 0.000 0.941 14 N CB 0.428 38.910 38.487 -0.009 0.000 1.200 14 N HN 0.639 nan 8.380 nan 0.000 0.514 15 Q N -0.660 119.137 119.800 -0.005 0.000 2.061 15 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 15 Q C 0.398 176.397 176.000 -0.003 0.000 0.984 15 Q CA 2.060 57.861 55.803 -0.002 0.000 0.846 15 Q CB -0.147 28.591 28.738 0.001 0.000 0.902 15 Q HN 0.678 nan 8.270 nan 0.000 0.421 16 D N 0.212 120.609 120.400 -0.004 0.000 2.144 16 D HA -0.165 4.475 4.640 -0.000 0.000 0.199 16 D C 1.604 177.899 176.300 -0.009 0.000 0.984 16 D CA 1.384 55.380 54.000 -0.006 0.000 0.834 16 D CB -0.154 40.642 40.800 -0.007 0.000 0.955 16 D HN 0.459 nan 8.370 nan 0.000 0.465 17 E N 0.697 120.892 120.200 -0.008 0.000 2.072 17 E HA -0.116 4.233 4.350 -0.000 0.000 0.191 17 E C 1.992 178.588 176.600 -0.006 0.000 0.985 17 E CA 0.719 57.114 56.400 -0.008 0.000 0.801 17 E CB 0.036 29.732 29.700 -0.008 0.000 0.750 17 E HN 0.251 nan 8.360 nan 0.000 0.452 18 K N 0.664 121.061 120.400 -0.005 0.000 2.044 18 K HA -0.170 4.149 4.320 -0.000 0.000 0.210 18 K C 2.139 178.736 176.600 -0.005 0.000 1.049 18 K CA 1.358 57.643 56.287 -0.003 0.000 0.927 18 K CB -0.219 32.279 32.500 -0.002 0.000 0.713 18 K HN 0.158 nan 8.250 nan 0.000 0.443 19 I N 1.137 121.703 120.570 -0.007 0.000 2.394 19 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 19 I C 2.477 178.581 176.117 -0.021 0.000 1.136 19 I CA 1.218 62.512 61.300 -0.009 0.000 1.425 19 I CB -0.356 37.642 38.000 -0.004 0.000 1.079 19 I HN 0.221 nan 8.210 nan 0.000 0.425 20 S N 0.840 116.526 115.700 -0.022 0.000 2.461 20 S HA -0.004 4.466 4.470 -0.000 0.000 0.228 20 S C 1.852 176.426 174.600 -0.043 0.000 1.005 20 S CA 0.436 58.615 58.200 -0.035 0.000 0.942 20 S CB -0.547 62.637 63.200 -0.027 0.000 0.776 20 S HN 0.417 nan 8.310 nan 0.000 0.514 21 L N 0.532 121.740 121.223 -0.025 0.000 2.465 21 L HA 0.227 4.566 4.340 -0.000 0.000 0.224 21 L C 1.761 178.609 176.870 -0.038 0.000 1.145 21 L CA 0.546 55.375 54.840 -0.019 0.000 0.834 21 L CB -0.297 41.768 42.059 0.010 0.000 0.944 21 L HN 0.342 nan 8.230 nan 0.000 0.451 22 L N -1.239 119.956 121.223 -0.047 0.000 2.592 22 L HA 0.112 4.452 4.340 -0.000 0.000 0.227 22 L C 0.798 177.610 176.870 -0.098 0.000 1.127 22 L CA -0.075 54.736 54.840 -0.049 0.000 0.884 22 L CB -0.088 41.955 42.059 -0.026 0.000 1.065 22 L HN 0.276 nan 8.230 nan 0.000 0.457 23 S N -1.233 114.376 115.700 -0.152 0.000 2.627 23 S HA 0.764 5.233 4.470 -0.000 0.000 0.283 23 S C -0.400 173.959 174.600 -0.401 0.000 1.127 23 S CA -0.689 57.348 58.200 -0.272 0.000 0.863 23 S CB 2.240 65.309 63.200 -0.217 0.000 1.121 23 S HN 0.005 nan 8.310 nan 0.000 0.479 24 A N 1.096 123.476 122.820 -0.734 0.000 2.332 24 A HA 0.586 4.905 4.320 -0.000 0.000 0.258 24 A C 1.150 178.472 177.584 -0.437 0.000 1.087 24 A CA -0.543 50.988 52.037 -0.843 0.000 0.802 24 A CB 0.002 17.971 19.000 -1.719 0.000 1.042 24 A HN 1.123 nan 8.150 nan 0.000 0.489 25 V N 0.922 120.685 119.914 -0.251 0.000 2.379 25 V HA -0.010 4.110 4.120 -0.000 0.000 0.245 25 V C 0.949 176.991 176.094 -0.087 0.000 1.044 25 V CA 2.334 64.561 62.300 -0.122 0.000 1.036 25 V CB -1.123 30.677 31.823 -0.039 0.000 0.664 25 V HN 1.086 nan 8.190 nan 0.000 0.453 26 D N -3.238 117.131 120.400 -0.052 0.000 3.009 26 D HA 0.132 4.772 4.640 -0.000 0.000 0.318 26 D C 0.763 177.055 176.300 -0.013 0.000 1.273 26 D CA -0.716 53.312 54.000 0.047 0.000 1.001 26 D CB 0.246 41.150 40.800 0.172 0.000 1.411 26 D HN -0.074 nan 8.370 nan 0.000 0.577 27 F N -1.082 118.749 119.950 -0.199 0.000 2.202 27 F HA 0.034 4.561 4.527 -0.000 0.000 0.301 27 F C 1.090 176.605 175.800 -0.474 0.000 1.082 27 F CA 1.113 58.810 58.000 -0.505 0.000 1.313 27 F CB 0.081 38.572 39.000 -0.849 0.000 1.024 27 F HN 0.289 nan 8.300 nan 0.000 0.495 28 W N -3.160 118.472 121.300 0.553 0.000 2.534 28 W HA 0.203 4.862 4.660 -0.000 0.000 0.339 28 W C -0.331 176.240 176.519 0.086 0.000 0.961 28 W CA -0.352 57.189 57.345 0.327 0.000 1.545 28 W CB 0.073 29.549 29.460 0.026 0.000 1.104 28 W HN -0.266 nan 8.180 nan 0.000 0.538 29 H N -0.691 118.651 119.070 0.453 0.000 2.572 29 H HA 0.428 4.984 4.556 -0.000 0.000 0.359 29 H C 0.778 176.166 175.328 0.101 0.000 1.134 29 H CA -0.517 55.708 56.048 0.294 0.000 1.187 29 H CB 1.503 31.389 29.762 0.206 0.000 1.597 29 H HN -0.232 nan 8.280 nan 0.000 0.524 30 T N -1.102 113.598 114.554 0.244 0.000 2.833 30 T HA 0.246 4.596 4.350 -0.000 0.000 0.312 30 T C 0.263 175.000 174.700 0.062 0.000 1.085 30 T CA -0.914 61.229 62.100 0.072 0.000 0.955 30 T CB 0.614 69.552 68.868 0.117 0.000 1.353 30 T HN 0.371 nan 8.240 nan 0.000 0.544 31 K N 0.680 121.094 120.400 0.024 0.000 2.240 31 K HA 0.324 4.644 4.320 -0.000 0.000 0.271 31 K C -0.297 176.328 176.600 0.042 0.000 1.018 31 K CA -0.558 55.737 56.287 0.013 0.000 0.874 31 K CB 0.833 33.322 32.500 -0.018 0.000 1.098 31 K HN 0.638 nan 8.250 nan 0.000 0.458 32 K N 5.424 125.848 120.400 0.039 0.000 2.350 32 K HA 0.159 4.479 4.320 -0.000 0.000 0.279 32 K C -0.564 176.056 176.600 0.032 0.000 1.027 32 K CA -0.304 56.010 56.287 0.045 0.000 0.969 32 K CB 0.460 32.981 32.500 0.034 0.000 0.954 32 K HN 0.587 nan 8.250 nan 0.000 0.474 33 I N 4.680 125.275 120.570 0.041 0.000 2.621 33 I HA 0.058 4.228 4.170 -0.000 0.000 0.276 33 I C 1.078 177.208 176.117 0.022 0.000 1.118 33 I CA -0.223 61.092 61.300 0.025 0.000 1.159 33 I CB 0.588 38.600 38.000 0.021 0.000 1.357 33 I HN 0.882 nan 8.210 nan 0.000 0.513 34 E N 3.933 124.144 120.200 0.018 0.000 2.086 34 E HA -0.286 4.064 4.350 -0.000 0.000 0.205 34 E C 2.124 178.729 176.600 0.008 0.000 1.027 34 E CA 2.107 58.517 56.400 0.016 0.000 0.830 34 E CB 0.152 29.858 29.700 0.010 0.000 0.751 34 E HN 0.516 nan 8.360 nan 0.000 0.456 35 R N 0.035 120.535 120.500 0.001 0.000 2.174 35 R HA -0.191 4.149 4.340 -0.000 0.000 0.253 35 R C 1.637 177.928 176.300 -0.015 0.000 1.165 35 R CA 1.710 57.805 56.100 -0.007 0.000 0.984 35 R CB -0.132 30.162 30.300 -0.010 0.000 0.873 35 R HN 0.271 nan 8.270 nan 0.000 0.456 36 L N -1.302 119.910 121.223 -0.018 0.000 2.766 36 L HA 0.339 4.679 4.340 -0.000 0.000 0.242 36 L C 0.836 177.681 176.870 -0.042 0.000 1.136 36 L CA 0.220 55.035 54.840 -0.043 0.000 0.933 36 L CB 1.136 43.155 42.059 -0.068 0.000 1.241 36 L HN 0.486 nan 8.230 nan 0.000 0.522 37 G N 1.483 110.284 108.800 0.002 0.000 2.149 37 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.235 37 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.235 37 G C 0.002 174.967 174.900 0.107 0.000 1.018 37 G CA -0.214 44.909 45.100 0.039 0.000 0.728 37 G HN 0.282 nan 8.290 nan 0.000 0.508 38 I N 2.509 123.143 120.570 0.107 0.000 2.304 38 I HA 0.336 4.506 4.170 -0.000 0.000 0.291 38 I C -1.684 174.521 176.117 0.147 0.000 1.018 38 I CA -2.344 59.078 61.300 0.204 0.000 1.260 38 I CB 1.648 39.747 38.000 0.165 0.000 1.390 38 I HN -0.050 nan 8.210 nan 0.000 0.475 39 P HA 0.284 nan 4.420 nan 0.000 0.282 39 P C -0.786 176.579 177.300 0.108 0.000 1.259 39 P CA -0.581 62.584 63.100 0.108 0.000 0.826 39 P CB 1.314 33.070 31.700 0.094 0.000 1.064 40 A N 1.945 124.827 122.820 0.103 0.000 2.440 40 A HA 0.369 4.689 4.320 -0.000 0.000 0.251 40 A C -0.031 177.664 177.584 0.186 0.000 1.089 40 A CA -0.102 52.019 52.037 0.141 0.000 0.779 40 A CB -0.279 18.796 19.000 0.125 0.000 1.022 40 A HN 0.366 nan 8.150 nan 0.000 0.492 41 V N 3.683 123.727 119.914 0.217 0.000 2.417 41 V HA 0.407 4.527 4.120 -0.000 0.000 0.291 41 V C 0.494 176.735 176.094 0.246 0.000 1.024 41 V CA -0.626 61.795 62.300 0.202 0.000 0.861 41 V CB 1.450 33.370 31.823 0.161 0.000 0.985 41 V HN 0.984 nan 8.190 nan 0.000 0.436 42 R N 3.842 124.455 120.500 0.188 0.000 2.297 42 R HA 0.665 5.004 4.340 -0.000 0.000 0.308 42 R C -0.607 175.729 176.300 0.060 0.000 1.029 42 R CA -0.338 55.774 56.100 0.020 0.000 0.929 42 R CB 1.538 31.851 30.300 0.022 0.000 1.046 42 R HN 0.671 nan 8.270 nan 0.000 0.461 43 V N 0.858 120.836 119.914 0.106 0.000 2.732 43 V HA 0.764 4.883 4.120 -0.000 0.000 0.310 43 V C -0.693 175.419 176.094 0.030 0.000 1.053 43 V CA -0.537 61.823 62.300 0.101 0.000 0.957 43 V CB 1.818 33.721 31.823 0.135 0.000 1.018 43 V HN 0.761 nan 8.190 nan 0.000 0.452 44 S N 1.537 117.173 115.700 -0.107 0.000 2.546 44 S HA 0.426 4.896 4.470 -0.000 0.000 0.272 44 S C -0.928 173.489 174.600 -0.306 0.000 1.140 44 S CA -0.699 57.294 58.200 -0.345 0.000 0.920 44 S CB 1.626 64.606 63.200 -0.367 0.000 1.083 44 S HN 0.989 nan 8.310 nan 0.000 0.476 45 D N 1.999 122.159 120.400 -0.400 0.000 2.364 45 D HA 0.461 5.101 4.640 -0.000 0.000 0.236 45 D C 0.724 176.865 176.300 -0.266 0.000 1.221 45 D CA 0.686 54.513 54.000 -0.290 0.000 0.891 45 D CB 0.928 41.572 40.800 -0.261 0.000 1.190 45 D HN 0.692 nan 8.370 nan 0.000 0.449 46 G N -0.412 108.268 108.800 -0.199 0.000 3.107 46 G HA2 0.329 4.288 3.960 -0.000 0.000 0.233 46 G HA3 0.329 4.288 3.960 -0.000 0.000 0.233 46 G C -2.245 172.552 174.900 -0.172 0.000 1.168 46 G CA -0.544 44.454 45.100 -0.170 0.000 0.801 46 G HN 0.260 nan 8.290 nan 0.000 0.605 47 P HA 0.070 nan 4.420 nan 0.000 0.235 47 P C 0.084 177.254 177.300 -0.216 0.000 1.177 47 P CA 0.703 63.676 63.100 -0.211 0.000 0.785 47 P CB 0.023 31.569 31.700 -0.257 0.000 0.885 48 N N -0.236 118.386 118.700 -0.131 0.000 2.660 48 N HA 0.477 5.216 4.740 -0.000 0.000 0.316 48 N C 0.156 175.718 175.510 0.086 0.000 1.774 48 N CA -0.389 52.629 53.050 -0.054 0.000 0.946 48 N CB 0.465 39.009 38.487 0.094 0.000 1.322 48 N HN 0.064 nan 8.380 nan 0.000 0.492 49 G N 0.213 108.986 108.800 -0.045 0.000 2.440 49 G HA2 0.057 4.017 3.960 -0.000 0.000 0.684 49 G HA3 0.057 4.017 3.960 -0.000 0.000 0.684 49 G C -1.678 173.190 174.900 -0.054 0.000 1.309 49 G CA -1.013 44.160 45.100 0.122 0.000 0.931 49 G HN 0.156 nan 8.290 nan 0.000 0.612 50 I N 1.082 121.611 120.570 -0.067 0.000 2.354 50 I HA 0.431 4.600 4.170 -0.000 0.000 0.286 50 I C 1.442 177.436 176.117 -0.205 0.000 1.007 50 I CA -0.661 60.554 61.300 -0.143 0.000 1.167 50 I CB 0.949 38.884 38.000 -0.107 0.000 1.320 50 I HN 0.867 nan 8.210 nan 0.000 0.458 51 R N 4.414 124.739 120.500 -0.290 0.000 2.073 51 R HA 0.152 4.492 4.340 -0.000 0.000 0.229 51 R C 1.033 177.127 176.300 -0.344 0.000 1.120 51 R CA 1.261 57.148 56.100 -0.354 0.000 0.967 51 R CB 0.188 30.183 30.300 -0.507 0.000 0.862 51 R HN 0.944 nan 8.270 nan 0.000 0.436 52 G N -1.405 107.154 108.800 -0.402 0.000 2.587 52 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.212 52 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.212 52 G C 0.470 175.036 174.900 -0.556 0.000 1.327 52 G CA 0.113 44.989 45.100 -0.373 0.000 0.898 52 G HN 0.297 nan 8.290 nan 0.000 0.551 53 T N -1.592 112.750 114.554 -0.353 0.000 3.118 53 T HA 0.329 4.679 4.350 -0.000 0.000 0.260 53 T C 0.737 175.458 174.700 0.036 0.000 1.139 53 T CA 1.826 63.749 62.100 -0.294 0.000 1.085 53 T CB -0.428 68.518 68.868 0.130 0.000 0.934 53 T HN 1.090 nan 8.240 nan 0.000 0.518 54 K N -1.085 119.318 120.400 0.004 0.000 2.527 54 K HA 0.538 4.858 4.320 -0.000 0.000 0.260 54 K C -0.762 175.916 176.600 0.130 0.000 0.937 54 K CA -1.005 55.400 56.287 0.197 0.000 0.826 54 K CB 1.205 33.858 32.500 0.254 0.000 1.359 54 K HN -0.112 nan 8.250 nan 0.000 0.434 55 F N 0.911 120.987 119.950 0.209 0.000 2.059 55 F HA 0.123 4.650 4.527 -0.001 0.000 0.289 55 F C 1.005 176.919 175.800 0.189 0.000 1.128 55 F CA 0.694 58.806 58.000 0.188 0.000 1.181 55 F CB 0.087 39.272 39.000 0.307 0.000 1.012 55 F HN 0.556 nan 8.300 nan 0.000 0.473 56 F N 2.245 122.418 119.950 0.372 0.000 2.541 56 F HA 0.106 4.633 4.527 -0.000 0.000 0.378 56 F C 0.810 176.717 175.800 0.179 0.000 1.068 56 F CA -0.440 57.692 58.000 0.219 0.000 1.199 56 F CB -0.260 38.843 39.000 0.171 0.000 1.091 56 F HN 0.293 nan 8.300 nan 0.000 0.555 57 D N 3.157 123.151 120.400 -0.676 0.000 2.945 57 D HA -0.165 4.475 4.640 -0.000 0.000 0.225 57 D C 0.338 176.551 176.300 -0.145 0.000 1.158 57 D CA 1.071 54.782 54.000 -0.480 0.000 0.805 57 D CB -1.237 39.226 40.800 -0.561 0.000 1.098 57 D HN 0.921 nan 8.370 nan 0.000 0.426 58 G N -0.410 108.345 108.800 -0.075 0.000 2.491 58 G HA2 0.369 4.329 3.960 -0.000 0.000 0.242 58 G HA3 0.369 4.329 3.960 -0.000 0.000 0.242 58 G C 0.431 175.297 174.900 -0.056 0.000 1.266 58 G CA -0.219 44.853 45.100 -0.047 0.000 0.844 58 G HN 0.315 nan 8.290 nan 0.000 0.571 59 V N 4.859 124.747 119.914 -0.045 0.000 2.540 59 V HA 0.049 4.169 4.120 -0.000 0.000 0.297 59 V C -1.447 174.622 176.094 -0.042 0.000 1.024 59 V CA -0.750 61.537 62.300 -0.022 0.000 1.105 59 V CB 0.929 32.749 31.823 -0.005 0.000 0.938 59 V HN 0.578 nan 8.190 nan 0.000 0.482 60 P HA 0.203 nan 4.420 nan 0.000 0.269 60 P C -0.216 176.992 177.300 -0.152 0.000 1.217 60 P CA 0.320 63.392 63.100 -0.046 0.000 0.783 60 P CB 0.623 32.388 31.700 0.109 0.000 0.898 61 S N -0.651 114.676 115.700 -0.621 0.000 2.656 61 S HA 0.672 5.141 4.470 -0.000 0.000 0.273 61 S C -0.911 172.817 174.600 -1.454 0.000 1.168 61 S CA -0.567 57.109 58.200 -0.874 0.000 0.817 61 S CB 0.986 63.959 63.200 -0.379 0.000 1.146 61 S HN 0.459 nan 8.310 nan 0.000 0.475 62 G N 1.039 109.312 108.800 -0.878 0.000 2.393 62 G HA2 0.439 4.399 3.960 -0.000 0.000 0.311 62 G HA3 0.439 4.399 3.960 -0.000 0.000 0.311 62 G C -0.211 174.506 174.900 -0.305 0.000 1.067 62 G CA -0.203 44.571 45.100 -0.544 0.000 1.000 62 G HN 0.681 nan 8.290 nan 0.000 0.422 63 C N 4.833 123.942 119.300 -0.318 0.000 2.325 63 C HA 0.663 5.123 4.460 -0.000 0.000 0.347 63 C C 0.388 175.312 174.990 -0.110 0.000 1.263 63 C CA -1.182 57.766 59.018 -0.116 0.000 1.806 63 C CB -1.470 26.193 27.740 -0.127 0.000 2.405 63 C HN 0.539 nan 8.230 nan 0.000 0.537 64 F N 5.813 125.735 119.950 -0.048 0.000 2.375 64 F HA 0.406 4.932 4.527 -0.000 0.000 0.313 64 F C -1.457 174.365 175.800 0.037 0.000 1.176 64 F CA -1.644 56.355 58.000 -0.002 0.000 1.142 64 F CB 0.281 39.281 39.000 0.000 0.000 1.275 64 F HN 0.421 nan 8.300 nan 0.000 0.544 65 P HA 0.062 nan 4.420 nan 0.000 0.274 65 P C -1.099 176.326 177.300 0.208 0.000 1.246 65 P CA -0.524 62.705 63.100 0.216 0.000 0.795 65 P CB 0.387 32.191 31.700 0.173 0.000 1.006 66 N N 0.207 119.039 118.700 0.221 0.000 2.467 66 N HA 0.027 4.766 4.740 -0.000 0.000 0.262 66 N C 1.456 176.997 175.510 0.052 0.000 1.234 66 N CA -0.058 53.123 53.050 0.218 0.000 0.952 66 N CB -0.007 38.747 38.487 0.444 0.000 1.158 66 N HN 0.452 nan 8.380 nan 0.000 0.463 67 G N 0.283 109.061 108.800 -0.037 0.000 2.556 67 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.220 67 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.220 67 G C 1.433 176.293 174.900 -0.066 0.000 1.156 67 G CA 2.187 47.204 45.100 -0.137 0.000 0.766 67 G HN 0.828 nan 8.290 nan 0.000 0.583 68 T N -1.159 113.281 114.554 -0.190 0.000 2.867 68 T HA 0.118 4.468 4.350 -0.000 0.000 0.268 68 T C 2.400 176.554 174.700 -0.910 0.000 1.057 68 T CA 1.506 63.384 62.100 -0.371 0.000 1.136 68 T CB -0.504 68.183 68.868 -0.302 0.000 0.874 68 T HN 0.303 nan 8.240 nan 0.000 0.466 69 G N 2.078 110.269 108.800 -1.016 0.000 2.453 69 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.215 69 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.215 69 G C 1.496 176.121 174.900 -0.459 0.000 1.201 69 G CA 0.751 45.134 45.100 -1.195 0.000 0.784 69 G HN 0.490 nan 8.290 nan 0.000 0.545 70 L N 0.908 122.025 121.223 -0.176 0.000 2.010 70 L HA -0.263 4.077 4.340 -0.000 0.000 0.219 70 L C 3.428 180.222 176.870 -0.127 0.000 1.077 70 L CA 1.575 56.390 54.840 -0.043 0.000 0.773 70 L CB -0.644 41.495 42.059 0.132 0.000 0.892 70 L HN 0.334 nan 8.230 nan 0.000 0.436 71 A N -0.930 121.812 122.820 -0.129 0.000 2.024 71 A HA -0.191 4.128 4.320 -0.000 0.000 0.220 71 A C 2.385 179.743 177.584 -0.376 0.000 1.164 71 A CA 2.029 53.885 52.037 -0.302 0.000 0.643 71 A CB -0.538 18.348 19.000 -0.190 0.000 0.806 71 A HN 0.439 nan 8.150 nan 0.000 0.451 72 S N -0.363 115.207 115.700 -0.216 0.000 2.515 72 S HA -0.093 4.377 4.470 -0.000 0.000 0.231 72 S C 2.012 176.712 174.600 0.168 0.000 0.987 72 S CA 1.430 59.651 58.200 0.036 0.000 0.936 72 S CB -0.522 62.719 63.200 0.068 0.000 0.766 72 S HN 0.923 nan 8.310 nan 0.000 0.528 73 T N -0.967 113.606 114.554 0.031 0.000 2.951 73 T HA 0.004 4.354 4.350 -0.000 0.000 0.268 73 T C 0.832 175.634 174.700 0.170 0.000 1.073 73 T CA 0.410 62.556 62.100 0.078 0.000 1.134 73 T CB -0.864 68.019 68.868 0.025 0.000 0.884 73 T HN 0.340 nan 8.240 nan 0.000 0.479 74 F N 1.301 121.142 119.950 -0.182 0.000 3.100 74 F HA -0.140 4.387 4.527 -0.001 0.000 0.283 74 F C 0.098 175.953 175.800 0.091 0.000 0.900 74 F CA 0.668 58.529 58.000 -0.233 0.000 1.010 74 F CB -1.630 37.161 39.000 -0.348 0.000 1.029 74 F HN 0.308 nan 8.300 nan 0.000 0.637 75 D N 0.066 120.554 120.400 0.147 0.000 2.420 75 D HA 0.290 4.930 4.640 -0.000 0.000 0.255 75 D C 1.118 177.448 176.300 0.051 0.000 1.185 75 D CA -0.465 53.609 54.000 0.124 0.000 0.904 75 D CB 0.664 41.508 40.800 0.074 0.000 1.102 75 D HN 0.148 nan 8.370 nan 0.000 0.534 76 R N 1.525 122.054 120.500 0.048 0.000 2.096 76 R HA -0.104 4.235 4.340 -0.000 0.000 0.235 76 R C 0.894 177.163 176.300 -0.052 0.000 1.127 76 R CA 1.080 57.151 56.100 -0.048 0.000 0.968 76 R CB 0.277 30.504 30.300 -0.121 0.000 0.861 76 R HN 0.429 nan 8.270 nan 0.000 0.440 77 D N 0.683 121.066 120.400 -0.028 0.000 2.097 77 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 77 D C 1.879 178.173 176.300 -0.010 0.000 0.984 77 D CA 0.872 54.858 54.000 -0.023 0.000 0.826 77 D CB -0.191 40.601 40.800 -0.013 0.000 0.973 77 D HN 0.032 nan 8.370 nan 0.000 0.460 78 L N 0.944 122.169 121.223 0.004 0.000 2.046 78 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 78 L C 2.270 179.146 176.870 0.009 0.000 1.077 78 L CA 1.312 56.162 54.840 0.017 0.000 0.747 78 L CB -0.556 41.521 42.059 0.030 0.000 0.896 78 L HN 0.011 nan 8.230 nan 0.000 0.432 79 L N -0.888 120.320 121.223 -0.026 0.000 2.141 79 L HA -0.200 4.139 4.340 -0.000 0.000 0.209 79 L C 2.499 179.339 176.870 -0.050 0.000 1.094 79 L CA 1.448 56.254 54.840 -0.056 0.000 0.763 79 L CB -0.562 41.411 42.059 -0.144 0.000 0.908 79 L HN 0.406 nan 8.230 nan 0.000 0.437 80 E N -0.161 120.010 120.200 -0.048 0.000 2.110 80 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 80 E C 1.997 178.592 176.600 -0.007 0.000 0.988 80 E CA 1.623 58.000 56.400 -0.038 0.000 0.804 80 E CB 0.132 29.806 29.700 -0.043 0.000 0.745 80 E HN 0.305 nan 8.360 nan 0.000 0.458 81 T N 0.143 114.705 114.554 0.012 0.000 2.821 81 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 81 T C 1.740 176.486 174.700 0.078 0.000 1.046 81 T CA 1.114 63.237 62.100 0.039 0.000 1.139 81 T CB -0.228 68.665 68.868 0.041 0.000 0.871 81 T HN 0.340 nan 8.240 nan 0.000 0.454 82 A N 1.122 123.995 122.820 0.088 0.000 1.933 82 A HA 0.127 4.447 4.320 -0.000 0.000 0.218 82 A C 2.566 180.175 177.584 0.041 0.000 1.175 82 A CA 1.803 53.943 52.037 0.172 0.000 0.628 82 A CB -1.167 17.918 19.000 0.143 0.000 0.814 82 A HN 0.512 nan 8.150 nan 0.000 0.444 83 G N -0.620 108.158 108.800 -0.037 0.000 2.421 83 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 83 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 83 G C 1.595 176.482 174.900 -0.022 0.000 1.143 83 G CA 1.061 46.111 45.100 -0.083 0.000 0.784 83 G HN 0.572 nan 8.290 nan 0.000 0.541 84 K N -0.328 120.083 120.400 0.019 0.000 2.026 84 K HA -0.022 4.297 4.320 -0.000 0.000 0.208 84 K C 2.366 179.011 176.600 0.075 0.000 1.048 84 K CA 1.080 57.391 56.287 0.040 0.000 0.929 84 K CB -0.271 32.252 32.500 0.038 0.000 0.713 84 K HN 0.225 nan 8.250 nan 0.000 0.439 85 L N 1.228 122.529 121.223 0.131 0.000 2.046 85 L HA -0.142 4.197 4.340 -0.000 0.000 0.208 85 L C 2.117 179.135 176.870 0.246 0.000 1.077 85 L CA 1.681 56.649 54.840 0.213 0.000 0.747 85 L CB -0.268 41.978 42.059 0.312 0.000 0.896 85 L HN 0.290 nan 8.230 nan 0.000 0.432 86 M N -1.235 118.460 119.600 0.157 0.000 2.213 86 M HA -0.194 4.286 4.480 -0.000 0.000 0.263 86 M C 2.241 178.558 176.300 0.028 0.000 1.062 86 M CA 1.661 56.970 55.300 0.016 0.000 1.105 86 M CB -0.569 31.869 32.600 -0.270 0.000 1.385 86 M HN 0.435 nan 8.290 nan 0.000 0.417 87 A N 0.779 123.617 122.820 0.029 0.000 1.898 87 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 87 A C 2.108 179.720 177.584 0.046 0.000 1.181 87 A CA 1.595 53.650 52.037 0.031 0.000 0.620 87 A CB -0.464 18.557 19.000 0.034 0.000 0.819 87 A HN 0.435 nan 8.150 nan 0.000 0.442 88 K N -0.251 120.187 120.400 0.064 0.000 2.063 88 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 88 K C 1.872 178.516 176.600 0.073 0.000 1.048 88 K CA 1.380 57.705 56.287 0.064 0.000 0.928 88 K CB -0.165 32.377 32.500 0.069 0.000 0.713 88 K HN 0.424 nan 8.250 nan 0.000 0.442 89 E N 0.590 120.851 120.200 0.100 0.000 2.153 89 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 89 E C 2.131 178.759 176.600 0.048 0.000 0.988 89 E CA 0.850 57.310 56.400 0.101 0.000 0.811 89 E CB -0.079 29.708 29.700 0.145 0.000 0.746 89 E HN 0.147 nan 8.360 nan 0.000 0.466 90 S N 0.424 116.140 115.700 0.028 0.000 2.357 90 S HA -0.049 4.421 4.470 -0.000 0.000 0.221 90 S C 2.079 176.685 174.600 0.011 0.000 1.031 90 S CA 0.440 58.640 58.200 -0.001 0.000 0.982 90 S CB -0.089 63.107 63.200 -0.006 0.000 0.853 90 S HN 0.150 nan 8.310 nan 0.000 0.458 91 I N 1.666 122.250 120.570 0.024 0.000 2.335 91 I HA -0.188 3.981 4.170 -0.000 0.000 0.251 91 I C 2.561 178.694 176.117 0.027 0.000 1.129 91 I CA 1.095 62.410 61.300 0.025 0.000 1.402 91 I CB -0.360 37.655 38.000 0.025 0.000 1.069 91 I HN 0.332 nan 8.210 nan 0.000 0.424 92 A N 0.106 122.947 122.820 0.034 0.000 2.067 92 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 92 A C 2.037 179.639 177.584 0.030 0.000 1.158 92 A CA 1.297 53.357 52.037 0.039 0.000 0.661 92 A CB -0.162 18.875 19.000 0.063 0.000 0.801 92 A HN 0.245 nan 8.150 nan 0.000 0.452 93 K N -0.850 119.558 120.400 0.014 0.000 2.372 93 K HA 0.132 4.451 4.320 -0.000 0.000 0.200 93 K C -0.266 176.338 176.600 0.008 0.000 1.022 93 K CA 0.139 56.424 56.287 -0.004 0.000 1.125 93 K CB -0.176 32.295 32.500 -0.048 0.000 0.855 93 K HN 0.612 nan 8.250 nan 0.000 0.524 94 N N 0.761 119.474 118.700 0.021 0.000 2.735 94 N HA -0.202 4.537 4.740 -0.000 0.000 0.248 94 N C -0.766 174.768 175.510 0.040 0.000 1.083 94 N CA 0.408 53.480 53.050 0.037 0.000 0.703 94 N CB -0.552 37.967 38.487 0.055 0.000 1.005 94 N HN 0.293 nan 8.380 nan 0.000 0.550 95 A N -0.053 122.774 122.820 0.012 0.000 2.253 95 A HA 0.708 5.028 4.320 -0.000 0.000 0.316 95 A C 1.123 178.722 177.584 0.024 0.000 1.327 95 A CA 0.160 52.197 52.037 0.001 0.000 0.917 95 A CB 0.841 19.808 19.000 -0.055 0.000 1.162 95 A HN 0.422 nan 8.150 nan 0.000 0.535 96 A N 2.624 125.475 122.820 0.052 0.000 2.209 96 A HA 0.412 4.732 4.320 -0.000 0.000 0.212 96 A C 0.538 178.175 177.584 0.088 0.000 1.158 96 A CA 0.905 52.984 52.037 0.070 0.000 0.742 96 A CB -0.039 19.009 19.000 0.080 0.000 0.790 96 A HN 0.933 nan 8.150 nan 0.000 0.472 97 V N 0.463 120.411 119.914 0.057 0.000 2.777 97 V HA 0.357 4.477 4.120 -0.000 0.000 0.306 97 V C -0.937 175.153 176.094 -0.007 0.000 1.112 97 V CA -0.521 61.804 62.300 0.042 0.000 0.917 97 V CB 1.865 33.721 31.823 0.055 0.000 1.018 97 V HN 0.302 nan 8.190 nan 0.000 0.426 98 I N 4.673 125.224 120.570 -0.031 0.000 2.392 98 I HA 0.425 4.594 4.170 -0.000 0.000 0.295 98 I C -0.105 175.956 176.117 -0.093 0.000 0.985 98 I CA -0.576 60.678 61.300 -0.076 0.000 1.221 98 I CB 1.663 39.610 38.000 -0.089 0.000 1.366 98 I HN 0.401 nan 8.210 nan 0.000 0.467 99 L N 6.228 127.375 121.223 -0.127 0.000 2.466 99 L HA 0.555 4.895 4.340 -0.000 0.000 0.248 99 L C 0.434 177.202 176.870 -0.170 0.000 1.240 99 L CA -0.170 54.581 54.840 -0.148 0.000 1.180 99 L CB -0.650 41.291 42.059 -0.196 0.000 1.413 99 L HN 0.844 nan 8.230 nan 0.000 0.406 100 G N 1.431 110.137 108.800 -0.156 0.000 2.466 100 G HA2 0.388 4.347 3.960 -0.000 0.000 0.291 100 G HA3 0.388 4.347 3.960 -0.000 0.000 0.291 100 G C -3.336 171.481 174.900 -0.138 0.000 1.460 100 G CA -0.649 44.343 45.100 -0.180 0.000 0.791 100 G HN -0.096 nan 8.290 nan 0.000 0.505 101 P HA 0.388 nan 4.420 nan 0.000 0.276 101 P C -0.294 176.831 177.300 -0.292 0.000 1.261 101 P CA -0.045 62.940 63.100 -0.193 0.000 0.800 101 P CB 1.043 32.736 31.700 -0.011 0.000 1.066 102 T N 0.276 114.568 114.554 -0.437 0.000 2.799 102 T HA 0.384 4.734 4.350 -0.000 0.000 0.286 102 T C 0.365 174.783 174.700 -0.470 0.000 0.973 102 T CA 0.076 61.913 62.100 -0.437 0.000 1.035 102 T CB 0.196 68.820 68.868 -0.408 0.000 0.932 102 T HN 0.374 nan 8.240 nan 0.000 0.469 103 T N 3.425 117.800 114.554 -0.298 0.000 3.866 103 T HA 0.284 4.634 4.350 -0.000 0.000 0.241 103 T C -0.075 174.596 174.700 -0.049 0.000 1.017 103 T CA -0.591 61.380 62.100 -0.216 0.000 1.300 103 T CB -0.670 68.072 68.868 -0.211 0.000 0.968 103 T HN 0.549 nan 8.240 nan 0.000 0.595 104 N N 1.320 120.051 118.700 0.052 0.000 2.366 104 N HA 0.628 5.368 4.740 -0.000 0.000 0.277 104 N C -0.359 175.245 175.510 0.156 0.000 1.275 104 N CA -0.640 52.525 53.050 0.192 0.000 0.964 104 N CB 0.427 39.044 38.487 0.217 0.000 1.167 104 N HN 0.246 nan 8.380 nan 0.000 0.568 105 M N 0.756 120.494 119.600 0.231 0.000 2.327 105 M HA 0.226 4.706 4.480 -0.000 0.000 0.298 105 M C -1.258 175.165 176.300 0.205 0.000 1.065 105 M CA -0.600 54.819 55.300 0.198 0.000 0.916 105 M CB 1.715 34.428 32.600 0.189 0.000 1.630 105 M HN 0.373 nan 8.290 nan 0.000 0.442 106 Q N 2.020 121.908 119.800 0.145 0.000 3.026 106 Q HA 0.160 4.499 4.340 -0.000 0.000 0.258 106 Q C 1.270 177.336 176.000 0.110 0.000 1.388 106 Q CA -0.081 55.801 55.803 0.132 0.000 1.000 106 Q CB -0.207 28.589 28.738 0.097 0.000 1.634 106 Q HN 0.521 nan 8.270 nan 0.000 0.571 107 R N -0.585 120.015 120.500 0.166 0.000 2.120 107 R HA 0.019 4.358 4.340 -0.000 0.000 0.234 107 R C 0.630 176.936 176.300 0.010 0.000 1.123 107 R CA 1.128 57.288 56.100 0.099 0.000 0.975 107 R CB 0.074 30.422 30.300 0.080 0.000 0.866 107 R HN 0.321 nan 8.270 nan 0.000 0.446 108 G N 0.084 108.855 108.800 -0.049 0.000 2.730 108 G HA2 0.398 4.358 3.960 -0.000 0.000 0.289 108 G HA3 0.398 4.358 3.960 -0.000 0.000 0.289 108 G C -2.358 172.284 174.900 -0.431 0.000 1.341 108 G CA -1.473 43.410 45.100 -0.362 0.000 0.932 108 G HN -0.134 nan 8.290 nan 0.000 0.481 109 P HA 0.051 nan 4.420 nan 0.000 0.231 109 P C 1.385 178.515 177.300 -0.284 0.000 1.168 109 P CA 0.427 63.356 63.100 -0.284 0.000 0.779 109 P CB 0.412 31.953 31.700 -0.264 0.000 0.844 110 L N -0.763 120.174 121.223 -0.476 0.000 2.591 110 L HA 0.201 4.541 4.340 -0.000 0.000 0.228 110 L C 1.347 178.272 176.870 0.091 0.000 1.133 110 L CA -0.253 54.474 54.840 -0.188 0.000 0.880 110 L CB -0.869 41.096 42.059 -0.158 0.000 1.033 110 L HN -0.069 nan 8.230 nan 0.000 0.450 111 G N -0.147 108.737 108.800 0.140 0.000 2.340 111 G HA2 0.224 4.184 3.960 -0.000 0.000 0.245 111 G HA3 0.224 4.184 3.960 -0.000 0.000 0.245 111 G C 1.117 176.174 174.900 0.261 0.000 1.294 111 G CA 0.174 45.532 45.100 0.429 0.000 0.896 111 G HN 0.297 nan 8.290 nan 0.000 0.522 112 G N 1.790 110.733 108.800 0.239 0.000 2.450 112 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.220 112 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.220 112 G C 1.458 176.501 174.900 0.239 0.000 1.130 112 G CA 0.202 45.410 45.100 0.181 0.000 0.760 112 G HN 0.613 nan 8.290 nan 0.000 0.557 113 R N 0.391 120.963 120.500 0.119 0.000 2.515 113 R HA 0.193 4.533 4.340 -0.000 0.000 0.294 113 R C 2.259 178.423 176.300 -0.227 0.000 1.021 113 R CA 0.234 56.257 56.100 -0.128 0.000 1.081 113 R CB 0.500 30.734 30.300 -0.110 0.000 1.263 113 R HN 0.261 nan 8.270 nan 0.000 0.557 114 G N 1.274 110.086 108.800 0.019 0.000 2.432 114 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.219 114 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.219 114 G C 1.232 176.121 174.900 -0.018 0.000 1.135 114 G CA 0.404 45.523 45.100 0.032 0.000 0.767 114 G HN 0.449 nan 8.290 nan 0.000 0.550 115 F N 0.584 120.600 119.950 0.109 0.000 2.365 115 F HA 0.190 4.717 4.527 -0.000 0.000 0.300 115 F C 1.922 177.751 175.800 0.049 0.000 1.090 115 F CA 1.260 59.337 58.000 0.127 0.000 1.408 115 F CB -0.109 39.045 39.000 0.256 0.000 1.060 115 F HN 0.287 nan 8.300 nan 0.000 0.534 116 E N 0.249 119.872 120.200 -0.962 0.000 2.276 116 E HA 0.071 4.420 4.350 -0.000 0.000 0.193 116 E C 0.826 177.108 176.600 -0.530 0.000 0.983 116 E CA 0.131 56.036 56.400 -0.825 0.000 0.861 116 E CB 0.267 29.319 29.700 -1.079 0.000 0.817 116 E HN 0.414 nan 8.360 nan 0.000 0.485 117 S N -0.701 114.743 115.700 -0.426 0.000 2.607 117 S HA 0.239 4.709 4.470 -0.000 0.000 0.272 117 S C 0.401 174.769 174.600 -0.388 0.000 1.166 117 S CA -0.663 57.273 58.200 -0.440 0.000 1.021 117 S CB 0.334 63.408 63.200 -0.210 0.000 1.113 117 S HN 0.122 nan 8.310 nan 0.000 0.531 118 F N 0.535 120.416 119.950 -0.116 0.000 2.390 118 F HA 0.420 4.947 4.527 -0.001 0.000 0.281 118 F C 1.287 177.031 175.800 -0.094 0.000 1.016 118 F CA 0.191 58.108 58.000 -0.139 0.000 1.286 118 F CB -0.149 38.753 39.000 -0.163 0.000 1.134 118 F HN 0.438 nan 8.300 nan 0.000 0.597 119 S N -0.899 114.910 115.700 0.182 0.000 2.547 119 S HA 0.223 4.693 4.470 -0.000 0.000 0.270 119 S C 0.281 174.977 174.600 0.160 0.000 1.150 119 S CA -0.466 57.842 58.200 0.180 0.000 0.850 119 S CB 1.112 64.424 63.200 0.186 0.000 1.118 119 S HN 0.396 nan 8.310 nan 0.000 0.461 120 E N 1.180 121.499 120.200 0.197 0.000 2.347 120 E HA -0.027 4.323 4.350 -0.000 0.000 0.196 120 E C -0.012 176.619 176.600 0.051 0.000 1.008 120 E CA 0.493 56.967 56.400 0.123 0.000 0.852 120 E CB -0.102 29.699 29.700 0.168 0.000 0.783 120 E HN 0.513 nan 8.360 nan 0.000 0.505 121 D N 1.781 122.237 120.400 0.094 0.000 2.277 121 D HA 0.072 4.711 4.640 -0.000 0.000 0.249 121 D C -1.518 174.836 176.300 0.089 0.000 1.134 121 D CA -2.547 51.485 54.000 0.053 0.000 0.863 121 D CB 1.594 42.420 40.800 0.043 0.000 1.143 121 D HN -0.182 nan 8.370 nan 0.000 0.458 122 P HA -0.132 nan 4.420 nan 0.000 0.225 122 P C 0.954 178.334 177.300 0.133 0.000 1.156 122 P CA 0.659 63.807 63.100 0.079 0.000 0.787 122 P CB 0.076 31.819 31.700 0.071 0.000 0.802 123 Y N 1.241 121.597 120.300 0.094 0.000 2.153 123 Y HA -0.123 4.427 4.550 -0.000 0.000 0.289 123 Y C 2.315 178.293 175.900 0.131 0.000 1.127 123 Y CA 1.042 59.214 58.100 0.120 0.000 1.131 123 Y CB -1.088 37.475 38.460 0.172 0.000 0.995 123 Y HN -0.250 nan 8.280 nan 0.000 0.505 124 L N 0.767 122.056 121.223 0.111 0.000 2.042 124 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 124 L C 2.365 179.107 176.870 -0.213 0.000 1.076 124 L CA 2.278 57.048 54.840 -0.118 0.000 0.749 124 L CB -1.460 40.502 42.059 -0.162 0.000 0.893 124 L HN 0.279 nan 8.230 nan 0.000 0.432 125 A N -0.684 122.084 122.820 -0.086 0.000 1.877 125 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 125 A C 2.347 179.841 177.584 -0.151 0.000 1.186 125 A CA 1.585 53.593 52.037 -0.049 0.000 0.620 125 A CB -1.551 17.482 19.000 0.056 0.000 0.822 125 A HN 0.530 nan 8.150 nan 0.000 0.443 126 G N -1.067 107.640 108.800 -0.156 0.000 2.402 126 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.216 126 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.216 126 G C 1.518 176.259 174.900 -0.265 0.000 1.162 126 G CA 1.189 46.182 45.100 -0.178 0.000 0.777 126 G HN 0.339 nan 8.290 nan 0.000 0.539 127 M N 1.113 120.479 119.600 -0.390 0.000 2.156 127 M HA 0.132 4.612 4.480 -0.000 0.000 0.264 127 M C 3.035 179.116 176.300 -0.365 0.000 1.067 127 M CA 1.150 56.206 55.300 -0.406 0.000 1.131 127 M CB -1.246 31.035 32.600 -0.532 0.000 1.368 127 M HN 0.303 nan 8.290 nan 0.000 0.416 128 A N 0.457 122.986 122.820 -0.486 0.000 1.873 128 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 128 A C 2.347 179.478 177.584 -0.754 0.000 1.193 128 A CA 2.611 54.156 52.037 -0.821 0.000 0.629 128 A CB -1.332 16.742 19.000 -1.542 0.000 0.826 128 A HN 0.479 nan 8.150 nan 0.000 0.447 129 T N -0.505 113.718 114.554 -0.551 0.000 2.759 129 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 129 T C 2.261 176.869 174.700 -0.152 0.000 1.042 129 T CA 1.854 63.866 62.100 -0.146 0.000 1.140 129 T CB -0.336 68.493 68.868 -0.064 0.000 0.864 129 T HN 0.590 nan 8.240 nan 0.000 0.455 130 S N 0.483 116.071 115.700 -0.186 0.000 2.387 130 S HA -0.076 4.394 4.470 -0.000 0.000 0.226 130 S C 2.301 176.825 174.600 -0.127 0.000 1.026 130 S CA 1.417 59.541 58.200 -0.126 0.000 0.972 130 S CB -0.369 62.764 63.200 -0.112 0.000 0.814 130 S HN 0.437 nan 8.310 nan 0.000 0.477 131 S N 1.050 116.643 115.700 -0.179 0.000 2.345 131 S HA -0.053 4.416 4.470 -0.000 0.000 0.220 131 S C 1.937 176.469 174.600 -0.114 0.000 1.031 131 S CA 1.429 59.539 58.200 -0.150 0.000 0.996 131 S CB -0.673 62.421 63.200 -0.176 0.000 0.882 131 S HN 0.425 nan 8.310 nan 0.000 0.445 132 V N 1.747 121.584 119.914 -0.129 0.000 2.332 132 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 132 V C 2.338 178.394 176.094 -0.063 0.000 1.055 132 V CA 1.500 63.751 62.300 -0.082 0.000 1.038 132 V CB -0.807 30.996 31.823 -0.033 0.000 0.651 132 V HN 0.326 nan 8.190 nan 0.000 0.450 133 V N -0.540 119.339 119.914 -0.058 0.000 2.358 133 V HA -0.265 3.854 4.120 -0.000 0.000 0.246 133 V C 2.439 178.516 176.094 -0.029 0.000 1.047 133 V CA 2.004 64.278 62.300 -0.044 0.000 1.035 133 V CB -0.662 31.135 31.823 -0.043 0.000 0.658 133 V HN 0.518 nan 8.190 nan 0.000 0.452 134 K N 0.094 120.474 120.400 -0.033 0.000 2.063 134 K HA -0.141 4.178 4.320 -0.000 0.000 0.208 134 K C 2.236 178.833 176.600 -0.006 0.000 1.048 134 K CA 1.531 57.808 56.287 -0.016 0.000 0.928 134 K CB -0.659 31.822 32.500 -0.031 0.000 0.713 134 K HN 0.564 nan 8.250 nan 0.000 0.442 135 G N 1.034 109.823 108.800 -0.020 0.000 2.418 135 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 135 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 135 G C 1.463 176.365 174.900 0.004 0.000 1.158 135 G CA 0.803 45.898 45.100 -0.009 0.000 0.771 135 G HN 0.141 nan 8.290 nan 0.000 0.545 136 M N 0.007 119.604 119.600 -0.006 0.000 2.067 136 M HA -0.089 4.390 4.480 -0.000 0.000 0.260 136 M C 2.799 179.134 176.300 0.058 0.000 1.069 136 M CA 1.544 56.850 55.300 0.010 0.000 1.117 136 M CB -0.370 32.222 32.600 -0.014 0.000 1.334 136 M HN 0.218 nan 8.290 nan 0.000 0.407 137 Q N -0.213 119.628 119.800 0.069 0.000 2.230 137 Q HA -0.029 4.311 4.340 -0.000 0.000 0.202 137 Q C 2.224 178.320 176.000 0.161 0.000 0.963 137 Q CA 1.135 57.033 55.803 0.160 0.000 0.866 137 Q CB -0.372 28.428 28.738 0.104 0.000 0.931 137 Q HN 0.692 nan 8.270 nan 0.000 0.452 138 G N 1.573 110.424 108.800 0.085 0.000 2.450 138 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.220 138 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.220 138 G C 1.234 176.163 174.900 0.048 0.000 1.130 138 G CA 0.590 45.724 45.100 0.058 0.000 0.760 138 G HN 0.201 nan 8.290 nan 0.000 0.557 139 E N 0.228 120.459 120.200 0.052 0.000 2.502 139 E HA 0.123 4.473 4.350 -0.000 0.000 0.194 139 E C 1.935 178.552 176.600 0.030 0.000 1.062 139 E CA 0.580 57.002 56.400 0.035 0.000 0.867 139 E CB -0.246 29.476 29.700 0.036 0.000 0.888 139 E HN 0.470 nan 8.360 nan 0.000 0.510 140 G N 1.253 110.093 108.800 0.067 0.000 2.143 140 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.249 140 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.249 140 G C 0.217 175.184 174.900 0.111 0.000 0.981 140 G CA 0.009 45.110 45.100 0.001 0.000 0.665 140 G HN 0.168 nan 8.290 nan 0.000 0.528 141 I N 1.360 122.036 120.570 0.176 0.000 2.396 141 I HA 0.648 4.817 4.170 -0.000 0.000 0.292 141 I C 0.972 177.242 176.117 0.255 0.000 0.999 141 I CA -0.948 60.471 61.300 0.198 0.000 1.310 141 I CB 1.006 39.059 38.000 0.088 0.000 1.404 141 I HN 0.345 nan 8.210 nan 0.000 0.496 142 A N 5.354 128.320 122.820 0.242 0.000 2.327 142 A HA 0.744 5.064 4.320 -0.000 0.000 0.283 142 A C 0.194 177.757 177.584 -0.034 0.000 1.127 142 A CA -0.419 51.618 52.037 0.000 0.000 0.810 142 A CB 0.532 19.490 19.000 -0.070 0.000 1.066 142 A HN 0.845 nan 8.150 nan 0.000 0.492 143 A N 1.402 124.172 122.820 -0.084 0.000 2.293 143 A HA 0.704 5.023 4.320 -0.000 0.000 0.302 143 A C 0.154 177.711 177.584 -0.044 0.000 1.119 143 A CA -0.315 51.686 52.037 -0.060 0.000 0.823 143 A CB 0.483 19.449 19.000 -0.057 0.000 1.097 143 A HN 0.809 nan 8.150 nan 0.000 0.491 144 T N 1.823 116.349 114.554 -0.046 0.000 2.934 144 T HA 0.423 4.773 4.350 -0.000 0.000 0.328 144 T C -0.430 174.242 174.700 -0.046 0.000 1.068 144 T CA -0.287 61.798 62.100 -0.025 0.000 1.018 144 T CB 0.617 69.464 68.868 -0.035 0.000 1.009 144 T HN 0.449 nan 8.240 nan 0.000 0.471 145 V N 5.234 125.139 119.914 -0.016 0.000 2.555 145 V HA 0.464 4.584 4.120 -0.000 0.000 0.286 145 V C 0.431 176.573 176.094 0.079 0.000 1.044 145 V CA -0.362 61.926 62.300 -0.021 0.000 1.026 145 V CB 0.330 32.132 31.823 -0.036 0.000 0.981 145 V HN 0.842 nan 8.190 nan 0.000 0.480 146 K N 3.229 123.607 120.400 -0.036 0.000 2.509 146 K HA 0.644 4.964 4.320 -0.000 0.000 0.266 146 K C -1.557 174.989 176.600 -0.091 0.000 0.987 146 K CA -1.052 55.183 56.287 -0.087 0.000 0.868 146 K CB 2.054 34.268 32.500 -0.477 0.000 1.421 146 K HN 0.660 nan 8.250 nan 0.000 0.444 147 H N 0.641 119.892 119.070 0.302 0.000 2.511 147 H HA 0.305 4.861 4.556 -0.000 0.000 0.328 147 H C -1.566 173.905 175.328 0.238 0.000 1.044 147 H CA -0.533 55.641 56.048 0.210 0.000 1.212 147 H CB 0.937 30.733 29.762 0.056 0.000 1.428 147 H HN 0.441 nan 8.280 nan 0.000 0.483 148 F N 4.960 124.895 119.950 -0.025 0.000 2.434 148 F HA 0.422 4.949 4.527 -0.000 0.000 0.358 148 F C -0.567 175.091 175.800 -0.237 0.000 1.136 148 F CA -0.227 57.502 58.000 -0.452 0.000 1.157 148 F CB -0.098 38.516 39.000 -0.644 0.000 1.167 148 F HN 0.349 nan 8.300 nan 0.000 0.539 149 V N 4.834 124.418 119.914 -0.549 0.000 3.232 149 V HA 0.375 4.494 4.120 -0.000 0.000 0.303 149 V C -0.415 175.545 176.094 -0.224 0.000 1.311 149 V CA -0.864 61.148 62.300 -0.479 0.000 1.061 149 V CB 1.941 33.175 31.823 -0.980 0.000 1.085 149 V HN 0.826 nan 8.190 nan 0.000 0.447 150 C N 2.472 121.736 119.300 -0.060 0.000 4.432 150 C HA -0.103 4.357 4.460 -0.000 0.000 0.294 150 C C 0.685 175.669 174.990 -0.011 0.000 1.398 150 C CA 0.889 59.860 59.018 -0.079 0.000 1.988 150 C CB -2.860 24.683 27.740 -0.329 0.000 1.251 150 C HN 1.003 nan 8.230 nan 0.000 0.791 151 N N 1.135 119.871 118.700 0.059 0.000 3.188 151 N HA 0.204 4.944 4.740 -0.000 0.000 0.279 151 N C 0.566 176.127 175.510 0.085 0.000 1.213 151 N CA -0.036 53.046 53.050 0.054 0.000 1.138 151 N CB 0.121 38.636 38.487 0.047 0.000 1.417 151 N HN 0.476 nan 8.380 nan 0.000 0.526 152 D N 0.875 121.315 120.400 0.067 0.000 2.369 152 D HA 0.109 4.748 4.640 -0.000 0.000 0.211 152 D C 0.010 176.308 176.300 -0.003 0.000 1.077 152 D CA 0.150 54.203 54.000 0.089 0.000 0.842 152 D CB 0.506 41.381 40.800 0.125 0.000 0.947 152 D HN 0.413 nan 8.370 nan 0.000 0.509 153 L N -3.022 118.136 121.223 -0.109 0.000 2.491 153 L HA 0.504 4.844 4.340 -0.000 0.000 0.254 153 L C 0.438 177.280 176.870 -0.047 0.000 1.048 153 L CA -0.742 53.995 54.840 -0.172 0.000 0.855 153 L CB 1.371 43.005 42.059 -0.709 0.000 1.466 153 L HN -0.471 nan 8.230 nan 0.000 0.409 154 E N -0.502 119.711 120.200 0.021 0.000 2.276 154 E HA 0.015 4.364 4.350 -0.000 0.000 0.193 154 E C -0.384 176.252 176.600 0.059 0.000 0.983 154 E CA 0.450 56.888 56.400 0.063 0.000 0.861 154 E CB 0.097 29.860 29.700 0.104 0.000 0.817 154 E HN 0.860 nan 8.360 nan 0.000 0.485 155 D N 1.928 122.346 120.400 0.030 0.000 2.426 155 D HA -0.106 4.534 4.640 -0.000 0.000 0.261 155 D C -0.270 176.035 176.300 0.008 0.000 1.245 155 D CA 0.574 54.591 54.000 0.028 0.000 0.917 155 D CB 0.115 40.913 40.800 -0.002 0.000 1.123 155 D HN -0.051 nan 8.370 nan 0.000 0.508 156 Q N 1.499 121.321 119.800 0.037 0.000 2.453 156 Q HA -0.323 4.017 4.340 -0.000 0.000 0.294 156 Q C 1.216 177.264 176.000 0.081 0.000 1.295 156 Q CA 0.935 56.765 55.803 0.043 0.000 0.853 156 Q CB -1.089 27.651 28.738 0.003 0.000 1.193 156 Q HN 0.730 nan 8.270 nan 0.000 0.461 157 R N -0.634 119.932 120.500 0.111 0.000 2.159 157 R HA -0.171 4.168 4.340 -0.000 0.000 0.237 157 R C 1.217 177.598 176.300 0.135 0.000 1.131 157 R CA 1.923 58.082 56.100 0.097 0.000 0.982 157 R CB -0.483 29.867 30.300 0.083 0.000 0.868 157 R HN 0.394 nan 8.270 nan 0.000 0.453 158 F N 1.851 121.778 119.950 -0.039 0.000 2.293 158 F HA -0.108 4.419 4.527 -0.001 0.000 0.300 158 F C 2.472 178.338 175.800 0.110 0.000 1.086 158 F CA 1.445 59.482 58.000 0.063 0.000 1.375 158 F CB 0.211 39.221 39.000 0.018 0.000 1.045 158 F HN 0.258 nan 8.300 nan 0.000 0.516 159 S N -2.642 113.173 115.700 0.191 0.000 2.549 159 S HA 0.096 4.566 4.470 -0.000 0.000 0.225 159 S C 0.813 175.365 174.600 -0.080 0.000 1.039 159 S CA -0.322 57.901 58.200 0.039 0.000 0.942 159 S CB -0.320 62.904 63.200 0.040 0.000 0.881 159 S HN 0.027 nan 8.310 nan 0.000 0.503 160 S N 3.190 118.866 115.700 -0.040 0.000 2.546 160 S HA 0.183 4.652 4.470 -0.000 0.000 0.290 160 S C -0.177 174.343 174.600 -0.134 0.000 1.262 160 S CA -0.289 57.866 58.200 -0.075 0.000 1.083 160 S CB -0.468 62.700 63.200 -0.054 0.000 0.859 160 S HN 0.524 nan 8.310 nan 0.000 0.495 161 N N 3.749 122.362 118.700 -0.145 0.000 2.462 161 N HA 0.216 4.956 4.740 -0.000 0.000 0.242 161 N C -1.071 174.332 175.510 -0.178 0.000 1.010 161 N CA -0.216 52.724 53.050 -0.184 0.000 0.939 161 N CB 0.732 39.117 38.487 -0.170 0.000 1.127 161 N HN 0.392 nan 8.380 nan 0.000 0.509 162 S N 4.120 119.675 115.700 -0.242 0.000 2.448 162 S HA 0.351 4.820 4.470 -0.000 0.000 0.279 162 S C 0.461 174.776 174.600 -0.474 0.000 1.195 162 S CA -0.505 57.476 58.200 -0.366 0.000 1.051 162 S CB 0.014 62.901 63.200 -0.522 0.000 0.948 162 S HN 0.464 nan 8.310 nan 0.000 0.493 163 I N 3.912 124.251 120.570 -0.385 0.000 2.312 163 I HA 0.492 4.662 4.170 -0.000 0.000 0.290 163 I C -0.341 175.554 176.117 -0.371 0.000 1.008 163 I CA -0.507 60.612 61.300 -0.301 0.000 1.226 163 I CB 1.244 39.157 38.000 -0.145 0.000 1.371 163 I HN 0.295 nan 8.210 nan 0.000 0.468 164 V N 6.028 125.717 119.914 -0.375 0.000 2.891 164 V HA 0.407 4.526 4.120 -0.000 0.000 0.304 164 V C 0.051 176.036 176.094 -0.181 0.000 1.171 164 V CA -0.397 61.696 62.300 -0.345 0.000 0.943 164 V CB 2.572 33.958 31.823 -0.727 0.000 1.037 164 V HN 0.859 nan 8.190 nan 0.000 0.427 165 S N 3.521 119.178 115.700 -0.072 0.000 2.580 165 S HA 0.170 4.639 4.470 -0.000 0.000 0.266 165 S C 0.944 175.502 174.600 -0.071 0.000 1.354 165 S CA 0.811 58.985 58.200 -0.045 0.000 1.008 165 S CB 1.088 64.295 63.200 0.011 0.000 0.898 165 S HN 1.007 nan 8.310 nan 0.000 0.555 166 E N 0.703 120.865 120.200 -0.063 0.000 2.150 166 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 166 E C 2.158 178.639 176.600 -0.199 0.000 0.985 166 E CA 1.251 57.572 56.400 -0.131 0.000 0.814 166 E CB -0.152 29.515 29.700 -0.054 0.000 0.752 166 E HN 0.733 nan 8.360 nan 0.000 0.466 167 R N -0.431 120.054 120.500 -0.024 0.000 2.066 167 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 167 R C 2.168 178.452 176.300 -0.026 0.000 1.131 167 R CA 1.361 57.469 56.100 0.014 0.000 0.955 167 R CB -0.355 30.020 30.300 0.125 0.000 0.851 167 R HN 0.234 nan 8.270 nan 0.000 0.432 168 A N 1.099 123.937 122.820 0.031 0.000 1.898 168 A HA -0.155 4.164 4.320 -0.000 0.000 0.216 168 A C 2.024 179.722 177.584 0.190 0.000 1.181 168 A CA 1.132 53.242 52.037 0.121 0.000 0.620 168 A CB -0.638 18.501 19.000 0.231 0.000 0.819 168 A HN 0.376 nan 8.150 nan 0.000 0.442 169 L N -0.156 121.118 121.223 0.086 0.000 2.013 169 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 169 L C 2.464 179.338 176.870 0.005 0.000 1.073 169 L CA 2.003 56.874 54.840 0.053 0.000 0.753 169 L CB -0.516 41.460 42.059 -0.138 0.000 0.890 169 L HN 0.268 nan 8.230 nan 0.000 0.432 170 R N -0.119 120.247 120.500 -0.223 0.000 2.066 170 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 170 R C 2.172 178.527 176.300 0.091 0.000 1.131 170 R CA 1.765 57.711 56.100 -0.257 0.000 0.955 170 R CB -0.617 29.034 30.300 -1.081 0.000 0.851 170 R HN 0.590 nan 8.270 nan 0.000 0.432 171 E N -0.321 119.919 120.200 0.068 0.000 2.230 171 E HA 0.010 4.360 4.350 -0.000 0.000 0.192 171 E C 1.598 178.264 176.600 0.110 0.000 0.987 171 E CA 0.521 57.049 56.400 0.212 0.000 0.841 171 E CB 0.294 30.096 29.700 0.169 0.000 0.783 171 E HN 0.173 nan 8.360 nan 0.000 0.481 172 I N -1.145 119.406 120.570 -0.032 0.000 3.812 172 I HA -0.010 4.160 4.170 -0.000 0.000 0.292 172 I C 1.395 177.314 176.117 -0.330 0.000 1.206 172 I CA 0.778 61.899 61.300 -0.298 0.000 1.370 172 I CB -0.647 36.923 38.000 -0.717 0.000 1.328 172 I HN 0.053 nan 8.210 nan 0.000 0.453 173 Y N 0.652 121.049 120.300 0.161 0.000 2.464 173 Y HA 0.239 4.788 4.550 -0.001 0.000 0.288 173 Y C 2.408 178.481 175.900 0.288 0.000 1.133 173 Y CA 0.397 58.614 58.100 0.194 0.000 1.223 173 Y CB -0.278 38.258 38.460 0.127 0.000 1.187 173 Y HN -0.124 nan 8.280 nan 0.000 0.539 174 L N 0.030 121.482 121.223 0.382 0.000 2.240 174 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 174 L C 2.300 179.514 176.870 0.573 0.000 1.106 174 L CA 1.139 56.282 54.840 0.505 0.000 0.793 174 L CB -0.184 42.122 42.059 0.411 0.000 0.927 174 L HN 0.173 nan 8.230 nan 0.000 0.446 175 E N 0.962 121.389 120.200 0.377 0.000 2.085 175 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 175 E C -0.701 176.006 176.600 0.177 0.000 0.994 175 E CA 1.492 58.058 56.400 0.277 0.000 0.801 175 E CB -0.900 28.943 29.700 0.239 0.000 0.743 175 E HN 0.278 nan 8.360 nan 0.000 0.453 176 P HA -0.110 nan 4.420 nan 0.000 0.221 176 P C 0.885 178.139 177.300 -0.077 0.000 1.150 176 P CA 1.084 64.176 63.100 -0.014 0.000 0.800 176 P CB -0.150 31.494 31.700 -0.092 0.000 0.787 177 F N 0.351 120.379 119.950 0.130 0.000 2.163 177 F HA 0.031 4.557 4.527 -0.000 0.000 0.297 177 F C 2.957 178.686 175.800 -0.117 0.000 1.094 177 F CA 0.985 59.043 58.000 0.097 0.000 1.290 177 F CB -0.738 38.467 39.000 0.341 0.000 1.017 177 F HN -0.221 nan 8.300 nan 0.000 0.483 178 R N 0.715 121.174 120.500 -0.069 0.000 2.083 178 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 178 R C 2.138 178.176 176.300 -0.436 0.000 1.137 178 R CA 1.507 57.152 56.100 -0.757 0.000 0.951 178 R CB -0.553 29.384 30.300 -0.604 0.000 0.851 178 R HN 0.311 nan 8.270 nan 0.000 0.434 179 L N -0.028 121.078 121.223 -0.195 0.000 2.017 179 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 179 L C 2.726 179.538 176.870 -0.097 0.000 1.073 179 L CA 1.342 56.117 54.840 -0.108 0.000 0.745 179 L CB -0.555 41.498 42.059 -0.010 0.000 0.894 179 L HN 0.308 nan 8.230 nan 0.000 0.432 180 A N -0.244 122.508 122.820 -0.114 0.000 1.865 180 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 180 A C 2.352 179.878 177.584 -0.097 0.000 1.191 180 A CA 2.005 53.983 52.037 -0.097 0.000 0.623 180 A CB -1.003 17.921 19.000 -0.127 0.000 0.826 180 A HN 0.168 nan 8.150 nan 0.000 0.444 181 V N 0.573 120.396 119.914 -0.153 0.000 2.282 181 V HA -0.330 3.790 4.120 -0.000 0.000 0.249 181 V C 2.630 178.655 176.094 -0.115 0.000 1.057 181 V CA 2.582 64.816 62.300 -0.110 0.000 1.032 181 V CB -0.677 31.049 31.823 -0.162 0.000 0.645 181 V HN 0.721 nan 8.190 nan 0.000 0.447 182 K N -1.185 119.047 120.400 -0.279 0.000 2.057 182 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 182 K C 2.122 178.484 176.600 -0.396 0.000 1.049 182 K CA 1.766 57.819 56.287 -0.389 0.000 0.931 182 K CB -0.147 31.992 32.500 -0.600 0.000 0.714 182 K HN 0.580 nan 8.250 nan 0.000 0.440 183 H N -1.691 117.317 119.070 -0.102 0.000 2.553 183 H HA 0.185 4.741 4.556 -0.000 0.000 0.276 183 H C 1.138 176.427 175.328 -0.065 0.000 0.979 183 H CA 1.112 57.106 56.048 -0.090 0.000 1.268 183 H CB 0.909 30.601 29.762 -0.116 0.000 1.450 183 H HN 0.342 nan 8.280 nan 0.000 0.527 184 A N 0.277 123.122 122.820 0.042 0.000 2.498 184 A HA 0.069 4.389 4.320 -0.000 0.000 0.238 184 A C 0.566 178.172 177.584 0.035 0.000 1.225 184 A CA 0.145 52.198 52.037 0.025 0.000 0.978 184 A CB 0.207 19.206 19.000 -0.001 0.000 1.142 184 A HN 0.278 nan 8.150 nan 0.000 0.552 185 N N 0.626 119.365 118.700 0.065 0.000 2.650 185 N HA -0.103 4.637 4.740 -0.000 0.000 0.272 185 N C -2.518 173.086 175.510 0.157 0.000 1.058 185 N CA 0.838 53.979 53.050 0.151 0.000 0.765 185 N CB -0.742 37.804 38.487 0.099 0.000 0.902 185 N HN 0.370 nan 8.380 nan 0.000 0.551 186 P HA -0.029 nan 4.420 nan 0.000 0.266 186 P C 1.095 178.521 177.300 0.211 0.000 1.195 186 P CA -0.229 62.955 63.100 0.139 0.000 0.768 186 P CB 0.796 32.562 31.700 0.111 0.000 0.838 187 V N 1.835 121.696 119.914 -0.088 0.000 2.515 187 V HA -0.142 3.978 4.120 -0.000 0.000 0.250 187 V C 1.200 177.297 176.094 0.006 0.000 1.058 187 V CA 1.575 63.736 62.300 -0.232 0.000 1.064 187 V CB -0.373 31.070 31.823 -0.634 0.000 0.675 187 V HN 0.653 nan 8.190 nan 0.000 0.461 188 C N -1.291 118.103 119.300 0.156 0.000 3.080 188 C HA 0.737 5.197 4.460 -0.000 0.000 0.307 188 C C -0.386 174.766 174.990 0.270 0.000 1.311 188 C CA -1.101 58.074 59.018 0.261 0.000 1.533 188 C CB 1.925 29.724 27.740 0.099 0.000 1.970 188 C HN 0.252 nan 8.230 nan 0.000 0.467 189 I N 1.466 122.171 120.570 0.224 0.000 2.656 189 I HA 0.418 4.588 4.170 -0.000 0.000 0.292 189 I C -0.656 175.495 176.117 0.057 0.000 1.144 189 I CA -0.332 60.980 61.300 0.019 0.000 1.038 189 I CB 1.726 39.520 38.000 -0.344 0.000 1.244 189 I HN 0.618 nan 8.210 nan 0.000 0.420 190 M N 5.643 125.280 119.600 0.061 0.000 2.180 190 M HA 0.395 4.875 4.480 -0.000 0.000 0.350 190 M C -0.109 176.259 176.300 0.114 0.000 1.125 190 M CA -0.366 54.984 55.300 0.083 0.000 1.031 190 M CB 1.288 33.932 32.600 0.074 0.000 1.623 190 M HN 0.740 nan 8.290 nan 0.000 0.451 191 T N 2.516 117.127 114.554 0.094 0.000 2.899 191 T HA 0.639 4.989 4.350 -0.000 0.000 0.295 191 T C 0.340 175.066 174.700 0.044 0.000 1.033 191 T CA -0.846 61.315 62.100 0.102 0.000 1.084 191 T CB 1.022 69.936 68.868 0.075 0.000 0.979 191 T HN 0.778 nan 8.240 nan 0.000 0.532 192 A N 1.537 124.379 122.820 0.037 0.000 2.327 192 A HA 0.458 4.777 4.320 -0.000 0.000 0.255 192 A C 0.579 178.143 177.584 -0.033 0.000 1.099 192 A CA -0.598 51.434 52.037 -0.008 0.000 0.801 192 A CB -0.264 18.737 19.000 0.002 0.000 1.062 192 A HN 0.939 nan 8.150 nan 0.000 0.496 193 Y N 0.462 120.736 120.300 -0.043 0.000 2.420 193 Y HA -0.055 4.495 4.550 -0.001 0.000 0.292 193 Y C 1.677 177.635 175.900 0.097 0.000 1.119 193 Y CA 0.889 58.965 58.100 -0.041 0.000 1.229 193 Y CB -0.210 38.080 38.460 -0.284 0.000 1.026 193 Y HN 0.763 nan 8.280 nan 0.000 0.554 194 N N 0.767 119.570 118.700 0.172 0.000 2.418 194 N HA 0.131 4.871 4.740 -0.000 0.000 0.283 194 N C -0.687 174.786 175.510 -0.061 0.000 1.267 194 N CA -0.428 52.646 53.050 0.040 0.000 0.975 194 N CB 1.005 39.474 38.487 -0.031 0.000 1.167 194 N HN 0.018 nan 8.380 nan 0.000 0.581 195 K N -0.445 119.814 120.400 -0.236 0.000 2.123 195 K HA 0.526 4.846 4.320 -0.000 0.000 0.248 195 K C -0.966 175.479 176.600 -0.258 0.000 0.969 195 K CA -0.855 55.249 56.287 -0.305 0.000 0.882 195 K CB 1.994 34.239 32.500 -0.425 0.000 1.080 195 K HN 0.227 nan 8.250 nan 0.000 0.441 196 V N 3.398 123.156 119.914 -0.260 0.000 2.407 196 V HA 0.138 4.258 4.120 -0.000 0.000 0.291 196 V C -0.540 175.402 176.094 -0.255 0.000 1.018 196 V CA -0.907 61.216 62.300 -0.294 0.000 0.842 196 V CB 1.084 32.713 31.823 -0.324 0.000 0.996 196 V HN 0.845 nan 8.190 nan 0.000 0.426 197 N N 4.411 122.958 118.700 -0.254 0.000 2.727 197 N HA -0.214 4.526 4.740 -0.000 0.000 0.249 197 N C 1.083 176.492 175.510 -0.169 0.000 1.048 197 N CA 1.478 54.409 53.050 -0.199 0.000 0.714 197 N CB -1.065 37.312 38.487 -0.183 0.000 0.959 197 N HN 1.502 nan 8.380 nan 0.000 0.544 198 G N -1.349 107.340 108.800 -0.185 0.000 2.176 198 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.232 198 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.232 198 G C -0.262 174.524 174.900 -0.191 0.000 0.986 198 G CA 0.523 45.520 45.100 -0.171 0.000 0.643 198 G HN 0.688 nan 8.290 nan 0.000 0.522 199 E N 0.255 120.333 120.200 -0.203 0.000 2.256 199 E HA 0.611 4.961 4.350 -0.000 0.000 0.268 199 E C -0.172 176.318 176.600 -0.183 0.000 0.877 199 E CA -0.874 55.428 56.400 -0.164 0.000 0.757 199 E CB 0.587 30.220 29.700 -0.112 0.000 1.183 199 E HN 0.393 nan 8.360 nan 0.000 0.418 200 H N 2.884 121.872 119.070 -0.136 0.000 3.034 200 H HA -0.006 4.550 4.556 -0.000 0.000 0.324 200 H C 0.860 176.156 175.328 -0.054 0.000 1.015 200 H CA 0.404 56.379 56.048 -0.122 0.000 1.429 200 H CB 0.616 30.302 29.762 -0.127 0.000 1.429 200 H HN 0.681 nan 8.280 nan 0.000 0.585 201 C N 1.491 120.833 119.300 0.069 0.000 2.403 201 C HA -0.210 4.249 4.460 -0.000 0.000 0.277 201 C C 2.715 177.736 174.990 0.053 0.000 1.248 201 C CA 1.521 60.535 59.018 -0.007 0.000 1.762 201 C CB -1.005 26.692 27.740 -0.071 0.000 2.014 201 C HN 0.954 nan 8.230 nan 0.000 0.486 202 S N 1.109 116.882 115.700 0.122 0.000 2.547 202 S HA -0.139 4.330 4.470 -0.000 0.000 0.235 202 S C 1.236 175.860 174.600 0.040 0.000 0.980 202 S CA 1.084 59.324 58.200 0.067 0.000 0.941 202 S CB -0.570 62.642 63.200 0.020 0.000 0.763 202 S HN 0.927 nan 8.310 nan 0.000 0.532 203 Q N 0.327 120.166 119.800 0.064 0.000 2.088 203 Q HA 0.363 4.703 4.340 -0.000 0.000 0.270 203 Q C -0.335 175.672 176.000 0.011 0.000 0.854 203 Q CA -0.319 55.500 55.803 0.026 0.000 1.104 203 Q CB 0.214 28.964 28.738 0.020 0.000 1.251 203 Q HN 0.269 nan 8.270 nan 0.000 0.436 204 S N 1.014 116.715 115.700 0.001 0.000 2.410 204 S HA 0.207 4.677 4.470 -0.000 0.000 0.304 204 S C 0.744 175.327 174.600 -0.029 0.000 1.095 204 S CA -0.495 57.687 58.200 -0.031 0.000 1.089 204 S CB 1.389 64.548 63.200 -0.068 0.000 0.968 204 S HN 0.492 nan 8.310 nan 0.000 0.480 205 K N 4.712 125.094 120.400 -0.030 0.000 2.057 205 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 205 K C 2.062 178.636 176.600 -0.044 0.000 1.049 205 K CA 1.563 57.833 56.287 -0.028 0.000 0.931 205 K CB -0.193 32.293 32.500 -0.025 0.000 0.714 205 K HN 0.721 nan 8.250 nan 0.000 0.440 206 K N 0.668 121.030 120.400 -0.062 0.000 2.044 206 K HA -0.199 4.121 4.320 -0.000 0.000 0.210 206 K C 1.995 178.535 176.600 -0.101 0.000 1.049 206 K CA 1.860 58.096 56.287 -0.085 0.000 0.927 206 K CB -0.125 32.314 32.500 -0.103 0.000 0.713 206 K HN 0.187 nan 8.250 nan 0.000 0.443 207 L N 0.431 121.599 121.223 -0.093 0.000 2.102 207 L HA -0.054 4.286 4.340 -0.000 0.000 0.202 207 L C 2.367 179.264 176.870 0.044 0.000 1.076 207 L CA 0.591 55.395 54.840 -0.059 0.000 0.761 207 L CB -0.230 41.751 42.059 -0.131 0.000 0.921 207 L HN 0.169 nan 8.230 nan 0.000 0.444 208 L N -0.883 120.363 121.223 0.037 0.000 2.313 208 L HA -0.024 4.315 4.340 -0.000 0.000 0.214 208 L C 1.979 178.858 176.870 0.016 0.000 1.119 208 L CA 0.933 55.802 54.840 0.048 0.000 0.809 208 L CB 0.006 42.097 42.059 0.054 0.000 0.933 208 L HN 0.278 nan 8.230 nan 0.000 0.449 209 I N -1.469 119.095 120.570 -0.011 0.000 3.623 209 I HA -0.017 4.153 4.170 -0.000 0.000 0.253 209 I C 1.700 177.797 176.117 -0.034 0.000 1.144 209 I CA 0.133 61.428 61.300 -0.008 0.000 1.461 209 I CB -0.056 37.943 38.000 -0.002 0.000 1.575 209 I HN -0.007 nan 8.210 nan 0.000 0.445 210 D N 1.821 122.191 120.400 -0.050 0.000 2.116 210 D HA -0.163 4.477 4.640 -0.000 0.000 0.193 210 D C 2.111 178.347 176.300 -0.106 0.000 0.998 210 D CA 1.726 55.691 54.000 -0.059 0.000 0.836 210 D CB -0.052 40.712 40.800 -0.060 0.000 0.951 210 D HN 0.321 nan 8.370 nan 0.000 0.449 211 I N -0.108 120.341 120.570 -0.202 0.000 2.368 211 I HA -0.108 4.062 4.170 -0.000 0.000 0.238 211 I C 2.479 178.229 176.117 -0.612 0.000 1.076 211 I CA 0.305 61.340 61.300 -0.441 0.000 1.397 211 I CB -0.097 37.593 38.000 -0.517 0.000 1.141 211 I HN -0.075 nan 8.210 nan 0.000 0.430 212 L N 0.374 121.331 121.223 -0.443 0.000 2.046 212 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 212 L C 2.815 179.743 176.870 0.097 0.000 1.077 212 L CA 1.252 55.934 54.840 -0.263 0.000 0.747 212 L CB -0.447 41.490 42.059 -0.203 0.000 0.896 212 L HN 0.275 nan 8.230 nan 0.000 0.432 213 R N -0.243 120.297 120.500 0.066 0.000 2.039 213 R HA 0.001 4.340 4.340 -0.000 0.000 0.218 213 R C 1.850 178.205 176.300 0.091 0.000 1.220 213 R CA 0.925 57.089 56.100 0.106 0.000 0.993 213 R CB -1.161 29.178 30.300 0.066 0.000 0.881 213 R HN 0.229 nan 8.270 nan 0.000 0.450 214 D N 0.971 121.399 120.400 0.047 0.000 2.144 214 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 214 D C 1.677 178.035 176.300 0.097 0.000 0.984 214 D CA 1.138 55.172 54.000 0.057 0.000 0.834 214 D CB 0.114 40.933 40.800 0.032 0.000 0.955 214 D HN 0.415 nan 8.370 nan 0.000 0.465 215 E N -0.946 119.312 120.200 0.096 0.000 2.132 215 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 215 E C 1.530 178.376 176.600 0.410 0.000 0.951 215 E CA 0.142 56.664 56.400 0.202 0.000 0.843 215 E CB 0.152 29.944 29.700 0.154 0.000 0.807 215 E HN 0.151 nan 8.360 nan 0.000 0.467 216 W N 1.181 122.562 121.300 0.135 0.000 2.737 216 W HA 0.175 4.834 4.660 -0.000 0.000 0.262 216 W C 0.446 177.052 176.519 0.145 0.000 1.282 216 W CA 0.129 57.558 57.345 0.140 0.000 1.386 216 W CB 0.327 29.862 29.460 0.126 0.000 1.099 216 W HN 0.037 nan 8.180 nan 0.000 0.621 217 K N -1.868 118.740 120.400 0.346 0.000 3.281 217 K HA -0.258 4.061 4.320 -0.000 0.000 0.295 217 K C -0.260 176.493 176.600 0.255 0.000 1.233 217 K CA 1.023 57.447 56.287 0.228 0.000 0.866 217 K CB -2.379 30.221 32.500 0.165 0.000 1.265 217 K HN 0.330 nan 8.250 nan 0.000 0.482 218 W N 1.944 123.325 121.300 0.136 0.000 2.216 218 W HA 0.204 4.863 4.660 -0.000 0.000 0.326 218 W C 0.768 177.308 176.519 0.036 0.000 1.319 218 W CA 0.218 57.615 57.345 0.088 0.000 1.213 218 W CB 0.593 30.128 29.460 0.124 0.000 1.171 218 W HN 0.087 nan 8.180 nan 0.000 0.557 219 D N 3.392 123.381 120.400 -0.686 0.000 2.571 219 D HA 0.225 4.864 4.640 -0.000 0.000 0.239 219 D C 0.668 176.409 176.300 -0.932 0.000 1.267 219 D CA 0.024 53.666 54.000 -0.598 0.000 0.823 219 D CB -0.196 40.426 40.800 -0.297 0.000 1.056 219 D HN 0.394 nan 8.370 nan 0.000 0.494 220 G N -0.081 107.519 108.800 -2.000 0.000 2.510 220 G HA2 0.423 4.383 3.960 -0.000 0.000 0.280 220 G HA3 0.423 4.383 3.960 -0.000 0.000 0.280 220 G C -0.406 173.920 174.900 -0.956 0.000 1.386 220 G CA -0.571 43.627 45.100 -1.505 0.000 1.047 220 G HN 0.209 nan 8.290 nan 0.000 0.527 221 M N 0.210 119.624 119.600 -0.310 0.000 2.311 221 M HA 0.529 5.009 4.480 -0.000 0.000 0.325 221 M C -1.432 174.998 176.300 0.216 0.000 1.061 221 M CA -0.606 54.679 55.300 -0.025 0.000 0.957 221 M CB 1.564 34.165 32.600 0.001 0.000 1.646 221 M HN 0.228 nan 8.290 nan 0.000 0.434 222 L N 6.395 127.734 121.223 0.193 0.000 2.282 222 L HA 0.515 4.854 4.340 -0.000 0.000 0.288 222 L C -0.302 176.643 176.870 0.124 0.000 1.033 222 L CA -0.489 54.460 54.840 0.181 0.000 0.807 222 L CB 1.500 43.652 42.059 0.154 0.000 1.209 222 L HN 0.757 nan 8.230 nan 0.000 0.423 223 M N 1.453 121.121 119.600 0.115 0.000 2.508 223 M HA 0.612 5.091 4.480 -0.000 0.000 0.327 223 M C 0.078 176.420 176.300 0.071 0.000 1.160 223 M CA -0.599 54.768 55.300 0.111 0.000 0.980 223 M CB 1.948 34.601 32.600 0.089 0.000 1.693 223 M HN 0.486 nan 8.290 nan 0.000 0.452 224 S N 0.256 115.975 115.700 0.032 0.000 2.585 224 S HA 0.149 4.619 4.470 -0.000 0.000 0.273 224 S C -0.060 174.555 174.600 0.024 0.000 1.339 224 S CA -0.616 57.566 58.200 -0.031 0.000 1.028 224 S CB 0.671 63.800 63.200 -0.119 0.000 0.906 224 S HN 0.826 nan 8.310 nan 0.000 0.528 225 D N 0.408 120.774 120.400 -0.056 0.000 2.346 225 D HA -0.029 4.611 4.640 -0.000 0.000 0.236 225 D C -0.364 176.000 176.300 0.106 0.000 1.259 225 D CA -0.078 53.880 54.000 -0.069 0.000 0.898 225 D CB 0.351 40.623 40.800 -0.880 0.000 1.178 225 D HN 0.681 nan 8.370 nan 0.000 0.457 226 W N 2.230 123.423 121.300 -0.178 0.000 2.529 226 W HA 0.088 4.747 4.660 -0.001 0.000 0.319 226 W C 0.378 176.995 176.519 0.164 0.000 1.362 226 W CA -0.592 56.689 57.345 -0.108 0.000 1.348 226 W CB -0.179 29.243 29.460 -0.064 0.000 1.403 226 W HN 0.488 nan 8.180 nan 0.000 0.519 227 F N 0.752 120.778 119.950 0.126 0.000 2.748 227 F HA -0.238 4.289 4.527 -0.001 0.000 0.370 227 F C 1.581 177.421 175.800 0.066 0.000 0.620 227 F CA 0.750 58.850 58.000 0.167 0.000 1.233 227 F CB -1.699 37.525 39.000 0.373 0.000 1.708 227 F HN 0.502 nan 8.300 nan 0.000 0.298 228 G N 1.045 109.896 108.800 0.085 0.000 3.471 228 G HA2 0.408 4.367 3.960 -0.000 0.000 0.254 228 G HA3 0.408 4.367 3.960 -0.000 0.000 0.254 228 G C 0.033 174.459 174.900 -0.790 0.000 1.199 228 G CA 0.597 45.548 45.100 -0.249 0.000 1.683 228 G HN 0.216 nan 8.290 nan 0.000 0.625 229 T N -0.371 113.637 114.554 -0.910 0.000 2.856 229 T HA 0.443 4.793 4.350 -0.000 0.000 0.283 229 T C -0.310 173.472 174.700 -1.531 0.000 1.008 229 T CA -0.312 61.196 62.100 -0.986 0.000 0.997 229 T CB 1.664 70.214 68.868 -0.529 0.000 0.992 229 T HN 0.239 nan 8.240 nan 0.000 0.454 230 Y N 0.400 120.123 120.300 -0.961 0.000 2.540 230 Y HA 0.307 4.857 4.550 -0.000 0.000 0.257 230 Y C 1.316 176.369 175.900 -1.411 0.000 1.090 230 Y CA -0.610 56.825 58.100 -1.107 0.000 1.242 230 Y CB 0.654 38.691 38.460 -0.705 0.000 1.325 230 Y HN 0.754 nan 8.280 nan 0.000 0.544 231 T N -4.853 109.044 114.554 -1.094 0.000 2.843 231 T HA 0.379 4.729 4.350 -0.000 0.000 0.302 231 T C 0.427 175.060 174.700 -0.112 0.000 1.232 231 T CA -0.316 61.488 62.100 -0.493 0.000 1.009 231 T CB 2.050 70.832 68.868 -0.144 0.000 1.254 231 T HN -0.176 nan 8.240 nan 0.000 0.504 232 T N 0.740 115.437 114.554 0.239 0.000 2.755 232 T HA 0.238 4.588 4.350 -0.000 0.000 0.251 232 T C 2.298 177.057 174.700 0.099 0.000 1.044 232 T CA 1.188 63.431 62.100 0.239 0.000 1.154 232 T CB -0.726 68.296 68.868 0.258 0.000 0.866 232 T HN 0.821 nan 8.240 nan 0.000 0.416 233 A N 1.196 124.062 122.820 0.077 0.000 1.878 233 A HA 0.438 4.757 4.320 -0.000 0.000 0.213 233 A C 2.568 180.162 177.584 0.017 0.000 1.192 233 A CA 1.456 53.518 52.037 0.042 0.000 0.619 233 A CB -1.129 17.892 19.000 0.036 0.000 0.837 233 A HN 0.460 nan 8.150 nan 0.000 0.446 234 A N 0.201 123.027 122.820 0.009 0.000 1.908 234 A HA 0.103 4.423 4.320 -0.000 0.000 0.218 234 A C 2.488 180.064 177.584 -0.013 0.000 1.181 234 A CA 2.230 54.265 52.037 -0.003 0.000 0.627 234 A CB -1.070 17.928 19.000 -0.004 0.000 0.818 234 A HN 1.084 nan 8.150 nan 0.000 0.445 235 A N -0.107 122.692 122.820 -0.035 0.000 1.908 235 A HA -0.136 4.183 4.320 -0.000 0.000 0.218 235 A C 2.121 179.694 177.584 -0.018 0.000 1.181 235 A CA 1.675 53.686 52.037 -0.042 0.000 0.627 235 A CB -0.614 18.327 19.000 -0.098 0.000 0.818 235 A HN 0.531 nan 8.150 nan 0.000 0.445 236 I N -0.936 119.629 120.570 -0.007 0.000 2.353 236 I HA -0.212 3.957 4.170 -0.000 0.000 0.248 236 I C 2.520 178.639 176.117 0.003 0.000 1.119 236 I CA 1.714 63.015 61.300 0.002 0.000 1.417 236 I CB -0.216 37.790 38.000 0.011 0.000 1.078 236 I HN 0.368 nan 8.210 nan 0.000 0.421 237 K N 0.903 121.304 120.400 0.002 0.000 2.097 237 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 237 K C 1.533 178.133 176.600 0.001 0.000 1.050 237 K CA 1.438 57.726 56.287 0.002 0.000 0.938 237 K CB 0.105 32.606 32.500 0.000 0.000 0.718 237 K HN 0.201 nan 8.250 nan 0.000 0.442 238 N N -0.978 117.722 118.700 -0.000 0.000 2.299 238 N HA 0.084 4.823 4.740 -0.000 0.000 0.187 238 N C 0.305 175.819 175.510 0.006 0.000 1.099 238 N CA 0.950 54.000 53.050 -0.001 0.000 0.867 238 N CB 1.494 39.979 38.487 -0.004 0.000 0.974 238 N HN 0.439 nan 8.380 nan 0.000 0.477 239 G N 0.160 108.966 108.800 0.011 0.000 2.173 239 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.142 239 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.142 239 G C -0.521 174.399 174.900 0.033 0.000 1.019 239 G CA -0.534 44.580 45.100 0.023 0.000 0.699 239 G HN 0.211 nan 8.290 nan 0.000 0.495 240 L N 1.764 122.999 121.223 0.019 0.000 2.295 240 L HA 0.533 4.872 4.340 -0.000 0.000 0.288 240 L C 1.054 177.936 176.870 0.020 0.000 1.079 240 L CA -0.146 54.706 54.840 0.020 0.000 0.830 240 L CB 0.473 42.527 42.059 -0.009 0.000 1.200 240 L HN 0.116 nan 8.230 nan 0.000 0.438 241 D N 4.491 124.915 120.400 0.040 0.000 2.123 241 D HA 0.005 4.645 4.640 -0.000 0.000 0.200 241 D C 0.420 176.736 176.300 0.026 0.000 0.976 241 D CA 1.432 55.452 54.000 0.033 0.000 0.831 241 D CB 0.536 41.360 40.800 0.040 0.000 0.974 241 D HN 0.466 nan 8.370 nan 0.000 0.469 242 I N 0.279 120.873 120.570 0.040 0.000 2.607 242 I HA 0.098 4.268 4.170 -0.000 0.000 0.290 242 I C -1.087 175.028 176.117 -0.004 0.000 1.129 242 I CA -0.780 60.531 61.300 0.018 0.000 1.042 242 I CB 2.695 40.740 38.000 0.076 0.000 1.242 242 I HN -0.287 nan 8.210 nan 0.000 0.421 243 E N 6.872 127.004 120.200 -0.115 0.000 2.200 243 E HA 0.336 4.685 4.350 -0.000 0.000 0.283 243 E C -1.918 174.453 176.600 -0.382 0.000 1.015 243 E CA -0.292 56.003 56.400 -0.175 0.000 0.819 243 E CB 0.948 30.568 29.700 -0.133 0.000 1.081 243 E HN 0.484 nan 8.360 nan 0.000 0.397 244 F N 5.099 124.678 119.950 -0.619 0.000 2.563 244 F HA 0.469 4.996 4.527 -0.001 0.000 0.316 244 F C -2.044 172.962 175.800 -1.324 0.000 1.076 244 F CA -1.907 55.426 58.000 -1.112 0.000 0.921 244 F CB 2.341 40.256 39.000 -1.807 0.000 1.209 244 F HN 0.426 nan 8.300 nan 0.000 0.462 245 P HA 0.323 nan 4.420 nan 0.000 0.281 245 P C -0.619 176.179 177.300 -0.836 0.000 1.281 245 P CA -0.331 61.994 63.100 -1.292 0.000 0.811 245 P CB 1.252 31.919 31.700 -1.722 0.000 1.154 246 G N 0.192 108.618 108.800 -0.622 0.000 2.528 246 G HA2 0.476 4.435 3.960 -0.000 0.000 0.289 246 G HA3 0.476 4.435 3.960 -0.000 0.000 0.289 246 G C -2.411 172.379 174.900 -0.182 0.000 1.192 246 G CA -1.505 43.386 45.100 -0.350 0.000 0.921 246 G HN 0.395 nan 8.290 nan 0.000 0.512 247 P HA 0.128 nan 4.420 nan 0.000 0.271 247 P C 0.360 177.597 177.300 -0.106 0.000 1.216 247 P CA -0.052 62.995 63.100 -0.088 0.000 0.776 247 P CB 0.791 32.473 31.700 -0.031 0.000 0.881 248 T N 2.424 116.902 114.554 -0.126 0.000 2.891 248 T HA -0.051 4.299 4.350 -0.000 0.000 0.296 248 T C 1.516 176.171 174.700 -0.075 0.000 1.025 248 T CA 0.413 62.451 62.100 -0.104 0.000 1.149 248 T CB -0.119 68.697 68.868 -0.086 0.000 1.007 248 T HN 0.349 nan 8.240 nan 0.000 0.528 249 R N 2.736 123.201 120.500 -0.058 0.000 2.064 249 R HA 0.083 4.423 4.340 -0.000 0.000 0.221 249 R C 1.491 177.603 176.300 -0.313 0.000 1.136 249 R CA 1.266 57.243 56.100 -0.206 0.000 0.980 249 R CB 0.035 30.177 30.300 -0.262 0.000 0.876 249 R HN 0.723 nan 8.270 nan 0.000 0.437 250 W N -0.245 121.033 121.300 -0.037 0.000 3.211 250 W HA 0.218 4.877 4.660 -0.000 0.000 0.292 250 W C 0.736 177.236 176.519 -0.031 0.000 1.268 250 W CA -0.169 57.159 57.345 -0.028 0.000 1.702 250 W CB 0.552 29.989 29.460 -0.038 0.000 1.092 250 W HN -0.172 nan 8.180 nan 0.000 0.643 251 R N 0.191 120.755 120.500 0.108 0.000 2.668 251 R HA 0.106 4.445 4.340 -0.000 0.000 0.435 251 R C 0.606 176.911 176.300 0.008 0.000 1.059 251 R CA -0.024 56.112 56.100 0.059 0.000 1.073 251 R CB 0.121 30.442 30.300 0.035 0.000 1.401 251 R HN -0.107 nan 8.270 nan 0.000 0.590 252 T N -2.208 112.340 114.554 -0.010 0.000 2.855 252 T HA -0.063 4.287 4.350 -0.000 0.000 0.322 252 T C 1.312 176.007 174.700 -0.009 0.000 1.088 252 T CA -0.286 61.799 62.100 -0.024 0.000 1.104 252 T CB 1.391 70.236 68.868 -0.039 0.000 0.996 252 T HN 0.311 nan 8.240 nan 0.000 0.549 253 R N 1.079 121.570 120.500 -0.014 0.000 2.117 253 R HA -0.148 4.192 4.340 -0.000 0.000 0.243 253 R C 2.482 178.785 176.300 0.006 0.000 1.143 253 R CA 1.731 57.828 56.100 -0.005 0.000 0.968 253 R CB -0.983 29.311 30.300 -0.011 0.000 0.863 253 R HN 0.847 nan 8.270 nan 0.000 0.444 254 A N 0.555 123.372 122.820 -0.005 0.000 1.897 254 A HA -0.032 4.288 4.320 -0.000 0.000 0.215 254 A C 2.144 179.751 177.584 0.037 0.000 1.181 254 A CA 0.885 52.919 52.037 -0.006 0.000 0.620 254 A CB -0.358 18.615 19.000 -0.046 0.000 0.821 254 A HN 0.318 nan 8.150 nan 0.000 0.443 255 L N -0.527 120.718 121.223 0.036 0.000 1.994 255 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 255 L C 2.566 179.495 176.870 0.100 0.000 1.071 255 L CA 1.269 56.157 54.840 0.080 0.000 0.745 255 L CB -0.740 41.354 42.059 0.059 0.000 0.892 255 L HN 0.234 nan 8.230 nan 0.000 0.431 256 V N 0.013 119.968 119.914 0.068 0.000 2.233 256 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 256 V C 2.715 178.847 176.094 0.062 0.000 1.050 256 V CA 2.237 64.572 62.300 0.059 0.000 1.010 256 V CB -0.836 31.010 31.823 0.038 0.000 0.637 256 V HN 0.656 nan 8.190 nan 0.000 0.444 257 S N -0.597 115.140 115.700 0.061 0.000 2.402 257 S HA -0.290 4.179 4.470 -0.000 0.000 0.229 257 S C 1.956 176.619 174.600 0.104 0.000 1.021 257 S CA 1.704 59.941 58.200 0.061 0.000 0.974 257 S CB -0.724 62.503 63.200 0.045 0.000 0.800 257 S HN 0.725 nan 8.310 nan 0.000 0.484 258 H N 1.934 121.007 119.070 0.006 0.000 2.352 258 H HA 0.068 4.623 4.556 -0.000 0.000 0.299 258 H C 2.161 177.496 175.328 0.012 0.000 1.097 258 H CA 1.736 57.789 56.048 0.007 0.000 1.311 258 H CB -0.674 29.092 29.762 0.007 0.000 1.377 258 H HN 0.438 nan 8.280 nan 0.000 0.504 259 S N -0.258 115.449 115.700 0.012 0.000 2.368 259 S HA -0.085 4.385 4.470 -0.000 0.000 0.224 259 S C 2.371 176.943 174.600 -0.047 0.000 1.029 259 S CA 1.100 59.269 58.200 -0.052 0.000 0.988 259 S CB -0.225 62.980 63.200 0.008 0.000 0.838 259 S HN 0.325 nan 8.310 nan 0.000 0.462 260 L N 1.882 123.100 121.223 -0.009 0.000 1.970 260 L HA -0.162 4.177 4.340 -0.000 0.000 0.212 260 L C 2.149 179.007 176.870 -0.019 0.000 1.071 260 L CA 1.107 55.943 54.840 -0.007 0.000 0.751 260 L CB -0.752 41.311 42.059 0.008 0.000 0.889 260 L HN 0.270 nan 8.230 nan 0.000 0.432 261 N N -0.507 118.187 118.700 -0.010 0.000 2.289 261 N HA -0.113 4.627 4.740 -0.000 0.000 0.184 261 N C 1.598 177.080 175.510 -0.046 0.000 1.016 261 N CA 1.216 54.262 53.050 -0.008 0.000 0.872 261 N CB -0.194 38.315 38.487 0.036 0.000 0.973 261 N HN 0.216 nan 8.380 nan 0.000 0.433 262 S N 0.192 115.821 115.700 -0.118 0.000 2.597 262 S HA 0.206 4.676 4.470 -0.000 0.000 0.224 262 S C 0.333 174.875 174.600 -0.097 0.000 0.955 262 S CA -0.390 57.721 58.200 -0.149 0.000 0.933 262 S CB 0.383 63.384 63.200 -0.332 0.000 0.788 262 S HN 0.231 nan 8.310 nan 0.000 0.488 263 R N 1.183 121.644 120.500 -0.064 0.000 3.502 263 R HA -0.185 4.155 4.340 -0.000 0.000 0.266 263 R C -0.508 175.766 176.300 -0.044 0.000 1.077 263 R CA 0.560 56.634 56.100 -0.043 0.000 0.718 263 R CB -1.395 28.887 30.300 -0.030 0.000 1.120 263 R HN 0.295 nan 8.270 nan 0.000 0.457 264 E N 0.907 121.072 120.200 -0.058 0.000 2.046 264 E HA 0.137 4.487 4.350 -0.000 0.000 0.279 264 E C 0.408 176.994 176.600 -0.022 0.000 0.989 264 E CA -0.029 56.345 56.400 -0.044 0.000 0.798 264 E CB 0.494 30.155 29.700 -0.066 0.000 1.086 264 E HN 0.244 nan 8.360 nan 0.000 0.399 265 Q N 1.301 121.093 119.800 -0.013 0.000 2.755 265 Q HA -0.288 4.052 4.340 -0.000 0.000 0.190 265 Q C 0.291 176.289 176.000 -0.003 0.000 2.840 265 Q CA 2.083 57.883 55.803 -0.004 0.000 0.265 265 Q CB -1.756 26.985 28.738 0.004 0.000 0.240 265 Q HN 0.729 nan 8.270 nan 0.000 0.447 266 I N -1.155 119.413 120.570 -0.003 0.000 2.797 266 I HA 0.778 4.947 4.170 -0.000 0.000 0.307 266 I C 0.147 176.262 176.117 -0.003 0.000 1.033 266 I CA -0.366 60.934 61.300 -0.001 0.000 1.071 266 I CB 2.183 40.186 38.000 0.006 0.000 1.255 266 I HN 0.129 nan 8.210 nan 0.000 0.445 267 T N -1.495 113.058 114.554 -0.002 0.000 2.926 267 T HA 0.354 4.703 4.350 -0.000 0.000 0.289 267 T C 0.991 175.691 174.700 0.000 0.000 1.054 267 T CA 0.053 62.151 62.100 -0.002 0.000 1.015 267 T CB 1.454 70.321 68.868 -0.003 0.000 1.167 267 T HN 0.841 nan 8.240 nan 0.000 0.526 268 T N -2.099 112.455 114.554 -0.000 0.000 2.962 268 T HA -0.040 4.310 4.350 -0.000 0.000 0.270 268 T C 1.466 176.166 174.700 0.000 0.000 1.088 268 T CA 1.088 63.188 62.100 0.001 0.000 1.127 268 T CB -0.491 68.377 68.868 0.000 0.000 0.883 268 T HN 0.730 nan 8.240 nan 0.000 0.493 269 E N 1.116 121.316 120.200 -0.000 0.000 2.077 269 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 269 E C 1.651 178.252 176.600 0.001 0.000 0.989 269 E CA 1.311 57.710 56.400 -0.000 0.000 0.800 269 E CB -0.098 29.602 29.700 -0.001 0.000 0.746 269 E HN 0.531 nan 8.360 nan 0.000 0.452 270 D N 0.127 120.528 120.400 0.001 0.000 2.092 270 D HA -0.159 4.481 4.640 -0.000 0.000 0.193 270 D C 2.124 178.426 176.300 0.004 0.000 0.994 270 D CA 1.043 55.045 54.000 0.003 0.000 0.828 270 D CB -0.382 40.419 40.800 0.003 0.000 0.963 270 D HN 0.090 nan 8.370 nan 0.000 0.450 271 V N 1.936 121.852 119.914 0.004 0.000 2.252 271 V HA -0.262 3.858 4.120 -0.000 0.000 0.249 271 V C 2.009 178.105 176.094 0.003 0.000 1.056 271 V CA 1.986 64.289 62.300 0.004 0.000 1.022 271 V CB -0.549 31.276 31.823 0.005 0.000 0.641 271 V HN 0.056 nan 8.190 nan 0.000 0.445 272 D N 0.040 120.441 120.400 0.002 0.000 2.116 272 D HA -0.190 4.450 4.640 -0.000 0.000 0.193 272 D C 1.936 178.237 176.300 0.001 0.000 0.998 272 D CA 1.631 55.632 54.000 0.001 0.000 0.836 272 D CB -0.484 40.315 40.800 -0.001 0.000 0.951 272 D HN 0.435 nan 8.370 nan 0.000 0.449 273 D N 0.009 120.409 120.400 0.001 0.000 2.123 273 D HA -0.112 4.528 4.640 -0.000 0.000 0.196 273 D C 2.191 178.491 176.300 0.000 0.000 0.992 273 D CA 0.724 54.724 54.000 -0.000 0.000 0.833 273 D CB 0.012 40.812 40.800 0.001 0.000 0.954 273 D HN 0.124 nan 8.370 nan 0.000 0.455 274 R N 0.447 120.949 120.500 0.004 0.000 2.075 274 R HA -0.015 4.325 4.340 -0.000 0.000 0.232 274 R C 2.477 178.782 176.300 0.008 0.000 1.126 274 R CA 0.345 56.449 56.100 0.006 0.000 0.963 274 R CB -1.093 29.211 30.300 0.007 0.000 0.858 274 R HN 0.178 nan 8.270 nan 0.000 0.435 275 V N 1.485 121.405 119.914 0.009 0.000 2.261 275 V HA -0.251 3.868 4.120 -0.000 0.000 0.246 275 V C 2.685 178.792 176.094 0.022 0.000 1.047 275 V CA 1.907 64.216 62.300 0.015 0.000 1.015 275 V CB -0.593 31.237 31.823 0.011 0.000 0.642 275 V HN 0.310 nan 8.190 nan 0.000 0.446 276 R N -0.346 120.162 120.500 0.014 0.000 2.159 276 R HA -0.292 4.048 4.340 -0.000 0.000 0.252 276 R C 2.398 178.703 176.300 0.008 0.000 1.144 276 R CA 2.260 58.368 56.100 0.013 0.000 0.961 276 R CB -0.222 30.078 30.300 0.000 0.000 0.877 276 R HN 0.488 nan 8.270 nan 0.000 0.444 277 Q N -0.345 119.449 119.800 -0.010 0.000 2.119 277 Q HA -0.075 4.265 4.340 -0.000 0.000 0.201 277 Q C 2.257 178.250 176.000 -0.012 0.000 0.972 277 Q CA 1.352 57.131 55.803 -0.039 0.000 0.847 277 Q CB -0.249 28.457 28.738 -0.053 0.000 0.903 277 Q HN 0.289 nan 8.270 nan 0.000 0.433 278 V N 1.256 121.183 119.914 0.022 0.000 2.343 278 V HA -0.241 3.878 4.120 -0.000 0.000 0.247 278 V C 2.429 178.567 176.094 0.074 0.000 1.051 278 V CA 1.400 63.730 62.300 0.050 0.000 1.036 278 V CB -0.739 31.117 31.823 0.056 0.000 0.654 278 V HN 0.251 nan 8.190 nan 0.000 0.451 279 L N -0.513 120.768 121.223 0.098 0.000 2.083 279 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 279 L C 2.582 179.551 176.870 0.166 0.000 1.083 279 L CA 1.702 56.656 54.840 0.190 0.000 0.752 279 L CB -0.581 41.585 42.059 0.178 0.000 0.899 279 L HN 0.305 nan 8.230 nan 0.000 0.433 280 K N -0.664 119.780 120.400 0.074 0.000 2.148 280 K HA -0.148 4.172 4.320 -0.000 0.000 0.204 280 K C 2.108 178.714 176.600 0.009 0.000 1.050 280 K CA 0.994 57.301 56.287 0.034 0.000 0.942 280 K CB -0.104 32.378 32.500 -0.029 0.000 0.724 280 K HN 0.200 nan 8.250 nan 0.000 0.446 281 M N 1.067 120.666 119.600 -0.000 0.000 2.254 281 M HA -0.081 4.398 4.480 -0.000 0.000 0.265 281 M C 1.700 178.014 176.300 0.023 0.000 1.066 281 M CA 1.583 56.890 55.300 0.011 0.000 1.123 281 M CB -0.163 32.447 32.600 0.017 0.000 1.388 281 M HN 0.105 nan 8.290 nan 0.000 0.425 282 I N 0.467 121.013 120.570 -0.039 0.000 2.202 282 I HA -0.316 3.854 4.170 -0.000 0.000 0.242 282 I C 2.442 178.248 176.117 -0.518 0.000 1.091 282 I CA 1.332 62.519 61.300 -0.189 0.000 1.368 282 I CB -0.594 37.347 38.000 -0.098 0.000 1.058 282 I HN 0.312 nan 8.210 nan 0.000 0.410 283 K N 1.094 121.118 120.400 -0.627 0.000 2.089 283 K HA -0.293 4.026 4.320 -0.000 0.000 0.210 283 K C 2.228 178.704 176.600 -0.207 0.000 1.048 283 K CA 2.010 57.980 56.287 -0.529 0.000 0.926 283 K CB -0.385 32.087 32.500 -0.048 0.000 0.714 283 K HN 0.202 nan 8.250 nan 0.000 0.448 284 F N 0.820 120.658 119.950 -0.187 0.000 2.134 284 F HA -0.194 4.332 4.527 -0.000 0.000 0.299 284 F C 1.770 177.499 175.800 -0.118 0.000 1.097 284 F CA 1.371 59.302 58.000 -0.115 0.000 1.264 284 F CB -0.188 38.765 39.000 -0.078 0.000 1.001 284 F HN -0.156 nan 8.300 nan 0.000 0.479 285 V N -0.550 119.341 119.914 -0.038 0.000 2.307 285 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 285 V C 2.361 178.340 176.094 -0.191 0.000 1.045 285 V CA 1.648 63.894 62.300 -0.090 0.000 1.024 285 V CB -0.634 31.189 31.823 0.001 0.000 0.651 285 V HN 0.248 nan 8.190 nan 0.000 0.449 286 V N 0.187 119.958 119.914 -0.239 0.000 2.343 286 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 286 V C 2.201 178.198 176.094 -0.162 0.000 1.051 286 V CA 2.135 64.318 62.300 -0.195 0.000 1.036 286 V CB -0.736 30.920 31.823 -0.279 0.000 0.654 286 V HN 0.538 nan 8.190 nan 0.000 0.451 287 D N 0.183 120.460 120.400 -0.205 0.000 2.311 287 D HA -0.110 4.529 4.640 -0.000 0.000 0.212 287 D C 1.657 177.822 176.300 -0.225 0.000 0.972 287 D CA 0.946 54.838 54.000 -0.180 0.000 0.887 287 D CB -0.247 40.445 40.800 -0.179 0.000 0.915 287 D HN 0.432 nan 8.370 nan 0.000 0.497 288 N N -0.226 118.294 118.700 -0.300 0.000 2.203 288 N HA 0.114 4.854 4.740 -0.000 0.000 0.207 288 N C 1.515 176.930 175.510 -0.159 0.000 1.130 288 N CA -0.107 52.777 53.050 -0.278 0.000 0.861 288 N CB 0.855 39.068 38.487 -0.456 0.000 1.005 288 N HN 0.213 nan 8.380 nan 0.000 0.507 289 L N 0.852 122.004 121.223 -0.120 0.000 2.191 289 L HA -0.143 4.196 4.340 -0.000 0.000 0.212 289 L C 2.434 179.275 176.870 -0.048 0.000 1.103 289 L CA 1.277 56.077 54.840 -0.067 0.000 0.769 289 L CB -0.091 41.940 42.059 -0.046 0.000 0.908 289 L HN 0.234 nan 8.230 nan 0.000 0.438 290 E N 0.820 120.988 120.200 -0.053 0.000 2.072 290 E HA -0.256 4.093 4.350 -0.000 0.000 0.190 290 E C 2.245 178.822 176.600 -0.039 0.000 0.982 290 E CA 1.049 57.426 56.400 -0.038 0.000 0.803 290 E CB 0.074 29.753 29.700 -0.035 0.000 0.755 290 E HN 0.296 nan 8.360 nan 0.000 0.453 291 K N 0.009 120.375 120.400 -0.055 0.000 2.103 291 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 291 K C 2.054 178.633 176.600 -0.035 0.000 1.052 291 K CA 1.797 58.056 56.287 -0.047 0.000 0.945 291 K CB -0.091 32.372 32.500 -0.062 0.000 0.722 291 K HN 0.282 nan 8.250 nan 0.000 0.443 292 T N -3.680 110.850 114.554 -0.040 0.000 3.031 292 T HA 0.163 4.513 4.350 -0.000 0.000 0.254 292 T C 1.439 176.133 174.700 -0.009 0.000 1.060 292 T CA 0.601 62.688 62.100 -0.022 0.000 1.135 292 T CB -0.082 68.771 68.868 -0.025 0.000 0.896 292 T HN 0.358 nan 8.240 nan 0.000 0.472 293 G N 1.544 110.337 108.800 -0.012 0.000 2.179 293 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.257 293 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.257 293 G C -0.004 174.899 174.900 0.006 0.000 1.010 293 G CA 0.147 45.246 45.100 -0.003 0.000 0.736 293 G HN 0.666 nan 8.290 nan 0.000 0.513 294 I N 0.182 120.756 120.570 0.006 0.000 2.683 294 I HA 0.243 4.412 4.170 -0.000 0.000 0.286 294 I C 0.863 176.995 176.117 0.026 0.000 1.175 294 I CA 0.427 61.739 61.300 0.020 0.000 1.429 294 I CB 1.174 39.190 38.000 0.026 0.000 1.371 294 I HN -0.033 nan 8.210 nan 0.000 0.569 295 V N 7.170 127.105 119.914 0.036 0.000 2.370 295 V HA 0.178 4.297 4.120 -0.000 0.000 0.283 295 V C 0.320 176.448 176.094 0.056 0.000 1.023 295 V CA -0.850 61.473 62.300 0.038 0.000 0.857 295 V CB 1.364 33.207 31.823 0.033 0.000 0.985 295 V HN 0.716 nan 8.190 nan 0.000 0.443 296 E N 4.441 124.675 120.200 0.057 0.000 2.568 296 E HA -0.133 4.217 4.350 -0.000 0.000 0.262 296 E C 0.904 177.546 176.600 0.071 0.000 0.961 296 E CA 0.350 56.795 56.400 0.075 0.000 0.945 296 E CB 0.089 29.826 29.700 0.061 0.000 0.924 296 E HN 0.734 nan 8.360 nan 0.000 0.467 297 N N 1.948 120.706 118.700 0.097 0.000 2.677 297 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 297 N C -0.330 175.221 175.510 0.068 0.000 1.073 297 N CA 0.945 54.033 53.050 0.064 0.000 0.737 297 N CB -0.851 37.618 38.487 -0.031 0.000 0.999 297 N HN 0.563 nan 8.380 nan 0.000 0.543 298 G N -0.315 108.535 108.800 0.083 0.000 2.651 298 G HA2 0.381 4.341 3.960 -0.000 0.000 0.260 298 G HA3 0.381 4.341 3.960 -0.000 0.000 0.260 298 G C -2.087 172.851 174.900 0.062 0.000 1.216 298 G CA -0.635 44.502 45.100 0.061 0.000 0.913 298 G HN 0.326 nan 8.290 nan 0.000 0.535 299 P HA 0.268 nan 4.420 nan 0.000 0.276 299 P C -0.800 176.525 177.300 0.041 0.000 1.261 299 P CA -0.288 62.837 63.100 0.043 0.000 0.800 299 P CB 1.390 33.109 31.700 0.032 0.000 1.066 300 E N -0.065 120.157 120.200 0.036 0.000 2.176 300 E HA 0.429 4.779 4.350 -0.000 0.000 0.267 300 E C -0.310 176.308 176.600 0.029 0.000 0.893 300 E CA -0.581 55.835 56.400 0.027 0.000 0.761 300 E CB 1.521 31.230 29.700 0.015 0.000 1.133 300 E HN 0.461 nan 8.360 nan 0.000 0.409 301 S N 0.302 116.023 115.700 0.034 0.000 2.745 301 S HA 0.429 4.899 4.470 -0.000 0.000 0.306 301 S C 0.410 175.053 174.600 0.072 0.000 1.137 301 S CA -0.717 57.508 58.200 0.042 0.000 0.900 301 S CB 1.493 64.712 63.200 0.031 0.000 1.176 301 S HN 0.463 nan 8.310 nan 0.000 0.520 302 T N -1.872 112.726 114.554 0.074 0.000 3.258 302 T HA 0.241 4.591 4.350 -0.000 0.000 0.263 302 T C 1.377 176.076 174.700 -0.002 0.000 0.983 302 T CA 0.199 62.369 62.100 0.117 0.000 0.907 302 T CB -0.601 68.328 68.868 0.101 0.000 1.096 302 T HN 0.734 nan 8.240 nan 0.000 0.556 303 S N 1.573 117.282 115.700 0.016 0.000 2.423 303 S HA -0.130 4.340 4.470 -0.000 0.000 0.231 303 S C 1.791 176.372 174.600 -0.032 0.000 1.014 303 S CA 0.955 59.145 58.200 -0.016 0.000 0.965 303 S CB -0.745 62.457 63.200 0.004 0.000 0.785 303 S HN 0.498 nan 8.310 nan 0.000 0.495 304 N N 2.419 121.127 118.700 0.012 0.000 2.571 304 N HA 0.014 4.754 4.740 -0.000 0.000 0.189 304 N C 0.205 175.661 175.510 -0.089 0.000 1.154 304 N CA 0.118 53.181 53.050 0.021 0.000 0.907 304 N CB -0.720 37.832 38.487 0.108 0.000 0.977 304 N HN 0.433 nan 8.380 nan 0.000 0.449 305 N N 0.628 119.108 118.700 -0.368 0.000 2.819 305 N HA -0.020 4.720 4.740 -0.000 0.000 0.284 305 N C -0.926 174.389 175.510 -0.325 0.000 1.196 305 N CA 0.066 52.648 53.050 -0.779 0.000 1.114 305 N CB -0.472 37.215 38.487 -1.334 0.000 1.437 305 N HN 0.236 nan 8.380 nan 0.000 0.518 306 T N -1.515 112.944 114.554 -0.158 0.000 2.910 306 T HA 0.305 4.655 4.350 -0.000 0.000 0.287 306 T C 1.048 175.729 174.700 -0.032 0.000 1.050 306 T CA -0.829 61.223 62.100 -0.079 0.000 1.011 306 T CB 1.651 70.490 68.868 -0.049 0.000 1.195 306 T HN 0.117 nan 8.240 nan 0.000 0.540 307 K N 0.206 120.592 120.400 -0.024 0.000 2.063 307 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 307 K C 1.955 178.558 176.600 0.004 0.000 1.048 307 K CA 1.780 58.063 56.287 -0.007 0.000 0.928 307 K CB -0.293 32.198 32.500 -0.015 0.000 0.713 307 K HN 0.827 nan 8.250 nan 0.000 0.442 308 E N -0.379 119.820 120.200 -0.001 0.000 2.058 308 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 308 E C 1.698 178.305 176.600 0.012 0.000 0.997 308 E CA 1.905 58.308 56.400 0.006 0.000 0.801 308 E CB 0.054 29.757 29.700 0.005 0.000 0.746 308 E HN 0.285 nan 8.360 nan 0.000 0.450 309 T N 0.064 114.626 114.554 0.013 0.000 2.674 309 T HA -0.135 4.214 4.350 -0.000 0.000 0.265 309 T C 2.070 176.775 174.700 0.008 0.000 1.039 309 T CA 1.382 63.491 62.100 0.014 0.000 1.150 309 T CB -0.283 68.608 68.868 0.040 0.000 0.864 309 T HN 0.098 nan 8.240 nan 0.000 0.427 310 S N 1.452 117.182 115.700 0.050 0.000 2.359 310 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 310 S C 1.885 176.516 174.600 0.051 0.000 1.039 310 S CA 1.376 59.632 58.200 0.093 0.000 1.042 310 S CB -0.553 62.729 63.200 0.137 0.000 0.915 310 S HN 0.485 nan 8.310 nan 0.000 0.439 311 D N 0.855 121.275 120.400 0.032 0.000 2.144 311 D HA -0.054 4.586 4.640 -0.000 0.000 0.199 311 D C 1.885 178.195 176.300 0.017 0.000 0.984 311 D CA 0.605 54.620 54.000 0.024 0.000 0.834 311 D CB -0.377 40.433 40.800 0.017 0.000 0.955 311 D HN 0.193 nan 8.370 nan 0.000 0.465 312 L N 0.675 121.901 121.223 0.006 0.000 2.056 312 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 312 L C 2.202 179.058 176.870 -0.024 0.000 1.078 312 L CA 1.211 56.053 54.840 0.003 0.000 0.749 312 L CB -0.542 41.523 42.059 0.010 0.000 0.901 312 L HN -0.003 nan 8.230 nan 0.000 0.433 313 L N -0.976 120.198 121.223 -0.082 0.000 2.275 313 L HA -0.181 4.159 4.340 -0.000 0.000 0.215 313 L C 2.679 179.529 176.870 -0.035 0.000 1.119 313 L CA 1.000 55.753 54.840 -0.144 0.000 0.790 313 L CB -0.471 41.440 42.059 -0.248 0.000 0.919 313 L HN 0.304 nan 8.230 nan 0.000 0.443 314 R N 0.704 121.209 120.500 0.008 0.000 2.062 314 R HA -0.170 4.169 4.340 -0.000 0.000 0.229 314 R C 2.395 178.723 176.300 0.046 0.000 1.128 314 R CA 1.364 57.489 56.100 0.040 0.000 0.960 314 R CB -0.019 30.310 30.300 0.049 0.000 0.855 314 R HN 0.134 nan 8.270 nan 0.000 0.432 315 K N 0.581 121.004 120.400 0.039 0.000 2.009 315 K HA -0.165 4.155 4.320 -0.000 0.000 0.210 315 K C 2.024 178.658 176.600 0.056 0.000 1.049 315 K CA 1.966 58.281 56.287 0.046 0.000 0.929 315 K CB -0.194 32.329 32.500 0.038 0.000 0.714 315 K HN 0.190 nan 8.250 nan 0.000 0.440 316 I N 0.912 121.517 120.570 0.059 0.000 2.208 316 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 316 I C 2.499 178.670 176.117 0.090 0.000 1.097 316 I CA 1.391 62.740 61.300 0.082 0.000 1.363 316 I CB -0.389 37.680 38.000 0.115 0.000 1.051 316 I HN 0.306 nan 8.210 nan 0.000 0.413 317 A N 0.522 123.392 122.820 0.085 0.000 1.930 317 A HA -0.069 4.250 4.320 -0.000 0.000 0.217 317 A C 2.522 180.175 177.584 0.115 0.000 1.175 317 A CA 1.638 53.741 52.037 0.110 0.000 0.627 317 A CB -0.734 18.327 19.000 0.102 0.000 0.815 317 A HN 0.427 nan 8.150 nan 0.000 0.443 318 A N -0.173 122.701 122.820 0.089 0.000 1.930 318 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 318 A C 1.659 179.286 177.584 0.072 0.000 1.175 318 A CA 1.804 53.889 52.037 0.079 0.000 0.627 318 A CB -0.457 18.583 19.000 0.066 0.000 0.815 318 A HN 0.405 nan 8.150 nan 0.000 0.443 319 D N -0.455 119.988 120.400 0.071 0.000 2.317 319 D HA 0.010 4.650 4.640 -0.000 0.000 0.211 319 D C 2.033 178.383 176.300 0.083 0.000 0.966 319 D CA 1.021 55.059 54.000 0.063 0.000 0.876 319 D CB -0.022 40.813 40.800 0.057 0.000 0.927 319 D HN 0.351 nan 8.370 nan 0.000 0.519 320 S N 0.078 115.846 115.700 0.114 0.000 2.423 320 S HA 0.013 4.482 4.470 -0.000 0.000 0.231 320 S C 1.119 175.912 174.600 0.322 0.000 1.014 320 S CA 0.137 58.430 58.200 0.155 0.000 0.965 320 S CB 0.191 63.469 63.200 0.131 0.000 0.785 320 S HN 0.251 nan 8.310 nan 0.000 0.495 321 I N 2.165 122.878 120.570 0.238 0.000 2.692 321 I HA 0.063 4.233 4.170 -0.000 0.000 0.284 321 I C -0.514 175.660 176.117 0.095 0.000 1.159 321 I CA -0.067 61.344 61.300 0.186 0.000 1.423 321 I CB 0.623 38.669 38.000 0.077 0.000 1.380 321 I HN -0.080 nan 8.210 nan 0.000 0.580 322 V N 7.138 127.059 119.914 0.013 0.000 2.444 322 V HA 0.257 4.377 4.120 -0.000 0.000 0.294 322 V C -0.265 175.710 176.094 -0.199 0.000 1.022 322 V CA -0.699 61.556 62.300 -0.075 0.000 0.850 322 V CB 1.645 33.450 31.823 -0.030 0.000 0.992 322 V HN 0.403 nan 8.190 nan 0.000 0.426 323 L N 5.644 126.741 121.223 -0.210 0.000 2.290 323 L HA 0.454 4.794 4.340 -0.000 0.000 0.284 323 L C 0.404 177.129 176.870 -0.241 0.000 1.078 323 L CA 0.631 55.340 54.840 -0.219 0.000 0.815 323 L CB 0.794 42.732 42.059 -0.201 0.000 1.162 323 L HN 0.621 nan 8.230 nan 0.000 0.435 324 L N 3.441 124.494 121.223 -0.284 0.000 2.537 324 L HA 0.363 4.702 4.340 -0.000 0.000 0.224 324 L C 0.442 177.258 176.870 -0.089 0.000 1.065 324 L CA 0.084 54.701 54.840 -0.371 0.000 0.860 324 L CB 0.081 41.550 42.059 -0.983 0.000 1.086 324 L HN 0.574 nan 8.230 nan 0.000 0.482 325 K N 0.244 120.602 120.400 -0.070 0.000 2.542 325 K HA 0.310 4.630 4.320 -0.000 0.000 0.259 325 K C -1.294 175.310 176.600 0.007 0.000 0.932 325 K CA -0.490 55.821 56.287 0.040 0.000 0.820 325 K CB 2.190 34.727 32.500 0.062 0.000 1.345 325 K HN -0.255 nan 8.250 nan 0.000 0.432 326 N N 2.531 121.250 118.700 0.032 0.000 2.732 326 N HA 0.078 4.818 4.740 -0.000 0.000 0.230 326 N C -1.552 173.966 175.510 0.013 0.000 1.487 326 N CA -0.345 52.715 53.050 0.016 0.000 0.765 326 N CB 0.554 39.065 38.487 0.039 0.000 1.384 326 N HN 0.385 nan 8.380 nan 0.000 0.530 327 K N 0.837 121.244 120.400 0.012 0.000 2.219 327 K HA 0.249 4.569 4.320 -0.000 0.000 0.258 327 K C 0.276 176.870 176.600 -0.010 0.000 1.008 327 K CA -0.513 55.779 56.287 0.008 0.000 0.928 327 K CB 0.424 32.933 32.500 0.015 0.000 0.983 327 K HN 0.301 nan 8.250 nan 0.000 0.484 328 N N 0.812 119.506 118.700 -0.010 0.000 2.828 328 N HA -0.222 4.518 4.740 -0.000 0.000 0.248 328 N C -0.962 174.529 175.510 -0.033 0.000 1.044 328 N CA 1.210 54.249 53.050 -0.019 0.000 0.851 328 N CB -1.857 36.619 38.487 -0.019 0.000 1.136 328 N HN 0.895 nan 8.380 nan 0.000 0.572 329 N N -0.846 117.830 118.700 -0.041 0.000 2.710 329 N HA -0.244 4.495 4.740 -0.000 0.000 0.249 329 N C 1.001 176.454 175.510 -0.095 0.000 1.059 329 N CA 0.923 53.928 53.050 -0.075 0.000 0.720 329 N CB -1.364 37.083 38.487 -0.067 0.000 0.983 329 N HN 0.540 nan 8.380 nan 0.000 0.544 330 I N -0.658 119.863 120.570 -0.081 0.000 2.248 330 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 330 I C 0.967 176.995 176.117 -0.149 0.000 1.107 330 I CA 1.353 62.596 61.300 -0.095 0.000 1.373 330 I CB -0.084 37.869 38.000 -0.077 0.000 1.055 330 I HN 0.249 nan 8.210 nan 0.000 0.418 331 L N 1.154 122.266 121.223 -0.185 0.000 2.331 331 L HA 0.425 4.765 4.340 -0.000 0.000 0.275 331 L C -2.283 174.211 176.870 -0.626 0.000 1.022 331 L CA -2.114 52.533 54.840 -0.322 0.000 0.812 331 L CB 1.063 43.024 42.059 -0.163 0.000 1.257 331 L HN -0.212 nan 8.230 nan 0.000 0.435 332 P HA 0.120 nan 4.420 nan 0.000 0.274 332 P C -0.745 176.360 177.300 -0.325 0.000 1.237 332 P CA -0.634 62.135 63.100 -0.552 0.000 0.793 332 P CB 0.707 32.127 31.700 -0.467 0.000 0.977 333 L N 1.866 122.858 121.223 -0.384 0.000 2.461 333 L HA 0.114 4.453 4.340 -0.000 0.000 0.272 333 L C 1.166 177.944 176.870 -0.153 0.000 1.197 333 L CA 0.560 55.178 54.840 -0.371 0.000 0.836 333 L CB -0.608 41.010 42.059 -0.735 0.000 1.105 333 L HN 0.316 nan 8.230 nan 0.000 0.477 334 K N 2.976 123.375 120.400 -0.000 0.000 2.130 334 K HA 0.193 4.513 4.320 -0.000 0.000 0.268 334 K C 0.735 177.494 176.600 0.264 0.000 0.983 334 K CA -0.706 55.659 56.287 0.129 0.000 0.893 334 K CB 1.024 33.564 32.500 0.068 0.000 1.066 334 K HN 0.301 nan 8.250 nan 0.000 0.450 335 K N 1.484 122.054 120.400 0.283 0.000 2.228 335 K HA -0.207 4.113 4.320 -0.000 0.000 0.205 335 K C 0.914 177.579 176.600 0.109 0.000 1.045 335 K CA 1.683 58.068 56.287 0.164 0.000 0.931 335 K CB 0.126 32.643 32.500 0.029 0.000 0.727 335 K HN 0.470 nan 8.250 nan 0.000 0.458 336 E N 0.610 120.864 120.200 0.090 0.000 2.478 336 E HA -0.005 4.345 4.350 -0.000 0.000 0.194 336 E C -0.554 176.087 176.600 0.068 0.000 1.045 336 E CA 0.234 56.670 56.400 0.061 0.000 0.868 336 E CB 0.078 29.802 29.700 0.040 0.000 0.885 336 E HN 0.218 nan 8.360 nan 0.000 0.505 337 D N 1.390 121.844 120.400 0.089 0.000 2.458 337 D HA -0.055 4.585 4.640 -0.000 0.000 0.243 337 D C 0.050 176.405 176.300 0.092 0.000 1.146 337 D CA 0.110 54.155 54.000 0.075 0.000 0.877 337 D CB 0.332 41.168 40.800 0.059 0.000 1.176 337 D HN -0.015 nan 8.370 nan 0.000 0.461 338 N N 2.367 121.117 118.700 0.084 0.000 2.431 338 N HA 0.178 4.917 4.740 -0.000 0.000 0.265 338 N C -0.695 174.929 175.510 0.190 0.000 1.184 338 N CA -0.088 53.036 53.050 0.124 0.000 0.943 338 N CB 0.035 38.569 38.487 0.078 0.000 1.080 338 N HN 0.407 nan 8.380 nan 0.000 0.477 339 I N 0.456 121.155 120.570 0.217 0.000 2.865 339 I HA 0.594 4.763 4.170 -0.000 0.000 0.302 339 I C -1.033 175.084 176.117 -0.001 0.000 1.140 339 I CA -1.190 60.184 61.300 0.123 0.000 1.021 339 I CB 1.923 39.974 38.000 0.085 0.000 1.233 339 I HN 0.352 nan 8.210 nan 0.000 0.427 340 I N 4.180 124.585 120.570 -0.275 0.000 2.603 340 I HA 0.607 4.777 4.170 -0.000 0.000 0.300 340 I C -1.209 174.850 176.117 -0.098 0.000 1.017 340 I CA -1.009 60.092 61.300 -0.330 0.000 1.098 340 I CB 2.137 39.686 38.000 -0.751 0.000 1.279 340 I HN 0.450 nan 8.210 nan 0.000 0.437 341 V N 7.870 127.811 119.914 0.044 0.000 2.417 341 V HA 0.530 4.649 4.120 -0.000 0.000 0.291 341 V C -0.073 176.044 176.094 0.039 0.000 1.024 341 V CA -0.324 62.061 62.300 0.140 0.000 0.861 341 V CB 1.496 33.559 31.823 0.400 0.000 0.985 341 V HN 0.481 nan 8.190 nan 0.000 0.436 342 I N 2.970 123.521 120.570 -0.032 0.000 2.969 342 I HA 0.917 5.087 4.170 -0.000 0.000 0.307 342 I C 0.264 176.340 176.117 -0.069 0.000 1.149 342 I CA -0.633 60.567 61.300 -0.167 0.000 1.008 342 I CB 2.461 40.356 38.000 -0.174 0.000 1.232 342 I HN 0.841 nan 8.210 nan 0.000 0.435 343 G N 3.979 112.725 108.800 -0.091 0.000 2.592 343 G HA2 -0.038 3.921 3.960 -0.000 0.000 0.685 343 G HA3 -0.038 3.921 3.960 -0.000 0.000 0.685 343 G C -2.642 172.326 174.900 0.114 0.000 1.278 343 G CA -0.726 44.383 45.100 0.014 0.000 0.822 343 G HN 0.414 nan 8.290 nan 0.000 0.652 344 P HA -0.099 nan 4.420 nan 0.000 0.219 344 P C 1.055 178.485 177.300 0.216 0.000 1.146 344 P CA 1.215 64.447 63.100 0.219 0.000 0.808 344 P CB 0.173 32.004 31.700 0.219 0.000 0.779 345 N N -0.788 118.028 118.700 0.193 0.000 2.299 345 N HA 0.130 4.870 4.740 -0.000 0.000 0.187 345 N C 1.691 177.315 175.510 0.190 0.000 1.099 345 N CA 0.517 53.682 53.050 0.192 0.000 0.867 345 N CB -0.582 38.023 38.487 0.196 0.000 0.974 345 N HN 0.023 nan 8.380 nan 0.000 0.477 346 A N 1.162 124.110 122.820 0.213 0.000 1.883 346 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 346 A C 1.774 179.489 177.584 0.220 0.000 1.186 346 A CA 1.444 53.632 52.037 0.252 0.000 0.624 346 A CB -0.118 19.097 19.000 0.358 0.000 0.822 346 A HN 0.152 nan 8.150 nan 0.000 0.444 347 K N -0.785 119.709 120.400 0.156 0.000 2.372 347 K HA 0.408 4.728 4.320 -0.000 0.000 0.200 347 K C 0.431 177.081 176.600 0.083 0.000 1.022 347 K CA 0.313 56.631 56.287 0.051 0.000 1.125 347 K CB 0.358 32.782 32.500 -0.128 0.000 0.855 347 K HN 0.455 nan 8.250 nan 0.000 0.524 348 A N 1.723 124.615 122.820 0.119 0.000 2.287 348 A HA 0.237 4.557 4.320 -0.000 0.000 0.273 348 A C -0.169 177.472 177.584 0.096 0.000 1.091 348 A CA -0.192 51.905 52.037 0.101 0.000 0.817 348 A CB 0.367 19.439 19.000 0.121 0.000 1.069 348 A HN 0.129 nan 8.150 nan 0.000 0.492 349 K N 1.631 122.071 120.400 0.067 0.000 2.602 349 K HA 0.195 4.515 4.320 -0.000 0.000 0.201 349 K C -0.399 176.219 176.600 0.029 0.000 1.070 349 K CA 0.009 56.332 56.287 0.060 0.000 1.026 349 K CB 0.561 33.090 32.500 0.048 0.000 1.534 349 K HN 0.733 nan 8.250 nan 0.000 0.560 350 T N -1.623 112.963 114.554 0.054 0.000 3.766 350 T HA 0.042 4.392 4.350 -0.000 0.000 0.327 350 T C 1.191 175.885 174.700 -0.011 0.000 1.595 350 T CA -0.589 61.500 62.100 -0.019 0.000 1.204 350 T CB 0.204 69.095 68.868 0.039 0.000 1.245 350 T HN 0.239 nan 8.240 nan 0.000 0.875 351 S N 1.443 117.119 115.700 -0.040 0.000 2.461 351 S HA 0.162 4.632 4.470 -0.000 0.000 0.228 351 S C 0.988 175.594 174.600 0.011 0.000 1.005 351 S CA 0.079 58.288 58.200 0.015 0.000 0.942 351 S CB -0.356 62.831 63.200 -0.021 0.000 0.776 351 S HN 1.035 nan 8.310 nan 0.000 0.514 352 S N -0.825 114.766 115.700 -0.183 0.000 2.615 352 S HA 0.723 5.192 4.470 -0.000 0.000 0.269 352 S C -0.099 174.134 174.600 -0.611 0.000 1.161 352 S CA -0.560 57.526 58.200 -0.191 0.000 0.817 352 S CB 0.832 63.993 63.200 -0.066 0.000 1.131 352 S HN 0.503 nan 8.310 nan 0.000 0.467 353 G N -0.342 107.979 108.800 -0.799 0.000 2.580 353 G HA2 0.575 4.534 3.960 -0.000 0.000 0.278 353 G HA3 0.575 4.534 3.960 -0.000 0.000 0.278 353 G C 0.439 174.943 174.900 -0.660 0.000 1.212 353 G CA -0.362 43.849 45.100 -1.482 0.000 0.939 353 G HN 1.099 nan 8.290 nan 0.000 0.513 354 G N -2.002 106.553 108.800 -0.408 0.000 2.562 354 G HA2 0.641 4.600 3.960 -0.000 0.000 0.275 354 G HA3 0.641 4.600 3.960 -0.000 0.000 0.275 354 G C 0.610 175.572 174.900 0.103 0.000 1.196 354 G CA 0.627 45.663 45.100 -0.106 0.000 0.908 354 G HN 1.955 nan 8.290 nan 0.000 0.524 355 G N -0.515 108.356 108.800 0.119 0.000 2.482 355 G HA2 0.037 3.997 3.960 -0.000 0.000 0.214 355 G HA3 0.037 3.997 3.960 -0.000 0.000 0.214 355 G C 1.472 176.560 174.900 0.313 0.000 1.271 355 G CA 0.748 45.974 45.100 0.211 0.000 0.944 355 G HN 1.923 nan 8.290 nan 0.000 0.568 356 S N -0.087 115.804 115.700 0.318 0.000 2.442 356 S HA 0.192 4.661 4.470 -0.000 0.000 0.236 356 S C 2.449 177.113 174.600 0.107 0.000 1.007 356 S CA 2.057 60.429 58.200 0.287 0.000 0.965 356 S CB -0.323 63.009 63.200 0.219 0.000 0.773 356 S HN 2.199 nan 8.310 nan 0.000 0.504 357 A N 1.522 124.425 122.820 0.139 0.000 2.167 357 A HA 0.314 4.633 4.320 -0.000 0.000 0.214 357 A C 1.468 179.081 177.584 0.048 0.000 1.151 357 A CA 0.522 52.613 52.037 0.090 0.000 0.735 357 A CB -0.612 18.506 19.000 0.198 0.000 0.802 357 A HN 0.743 nan 8.150 nan 0.000 0.467 358 S N -0.296 115.429 115.700 0.043 0.000 2.669 358 S HA 0.740 5.210 4.470 -0.000 0.000 0.270 358 S C -0.014 174.504 174.600 -0.136 0.000 1.225 358 S CA 0.016 58.202 58.200 -0.023 0.000 0.991 358 S CB 0.962 64.163 63.200 0.002 0.000 0.987 358 S HN 0.781 nan 8.310 nan 0.000 0.552 359 M N -0.186 119.328 119.600 -0.144 0.000 3.331 359 M HA 0.562 5.041 4.480 -0.000 0.000 0.281 359 M C -1.992 174.213 176.300 -0.158 0.000 1.338 359 M CA -0.884 54.291 55.300 -0.209 0.000 0.827 359 M CB 1.296 33.761 32.600 -0.224 0.000 1.674 359 M HN 0.586 nan 8.290 nan 0.000 0.477 360 N N 0.840 119.437 118.700 -0.172 0.000 2.426 360 N HA 0.473 5.213 4.740 -0.000 0.000 0.275 360 N C -1.658 173.735 175.510 -0.195 0.000 1.019 360 N CA 0.120 53.087 53.050 -0.137 0.000 0.941 360 N CB 1.511 39.936 38.487 -0.104 0.000 1.123 360 N HN 0.649 nan 8.380 nan 0.000 0.486 361 S N 2.599 118.188 115.700 -0.185 0.000 2.585 361 S HA 0.203 4.672 4.470 -0.000 0.000 0.277 361 S C 0.675 175.160 174.600 -0.192 0.000 1.241 361 S CA -0.490 57.537 58.200 -0.289 0.000 1.041 361 S CB 0.377 63.426 63.200 -0.250 0.000 0.987 361 S HN 0.496 nan 8.310 nan 0.000 0.512 362 Y N 1.553 121.751 120.300 -0.169 0.000 2.102 362 Y HA -0.133 4.417 4.550 -0.000 0.000 0.280 362 Y C 0.811 176.736 175.900 0.041 0.000 1.178 362 Y CA 1.093 59.150 58.100 -0.072 0.000 1.146 362 Y CB -0.813 37.599 38.460 -0.080 0.000 0.968 362 Y HN 0.783 nan 8.280 nan 0.000 0.504 363 Y N -5.912 114.462 120.300 0.122 0.000 2.732 363 Y HA 0.596 5.145 4.550 -0.000 0.000 0.342 363 Y C -1.864 174.060 175.900 0.039 0.000 1.203 363 Y CA -2.529 55.612 58.100 0.068 0.000 1.092 363 Y CB 0.731 39.234 38.460 0.071 0.000 1.345 363 Y HN -0.384 nan 8.280 nan 0.000 0.458 364 V N 2.080 122.102 119.914 0.180 0.000 2.577 364 V HA 0.512 4.632 4.120 -0.000 0.000 0.303 364 V C -0.855 175.376 176.094 0.228 0.000 1.042 364 V CA -0.962 61.413 62.300 0.124 0.000 0.872 364 V CB 1.864 33.710 31.823 0.038 0.000 0.998 364 V HN 0.738 nan 8.190 nan 0.000 0.423 365 V N 4.621 124.681 119.914 0.243 0.000 2.389 365 V HA 0.276 4.396 4.120 -0.000 0.000 0.264 365 V C 0.862 177.039 176.094 0.138 0.000 1.049 365 V CA -0.177 62.232 62.300 0.182 0.000 0.932 365 V CB 1.324 33.248 31.823 0.169 0.000 1.011 365 V HN 1.069 nan 8.190 nan 0.000 0.475 366 S N 6.769 122.546 115.700 0.129 0.000 2.580 366 S HA 0.215 4.685 4.470 -0.000 0.000 0.266 366 S C -1.536 173.150 174.600 0.143 0.000 1.354 366 S CA -0.728 57.554 58.200 0.137 0.000 1.008 366 S CB 0.759 64.047 63.200 0.147 0.000 0.898 366 S HN 0.516 nan 8.310 nan 0.000 0.555 367 P HA -0.083 nan 4.420 nan 0.000 0.216 367 P C 1.321 178.721 177.300 0.167 0.000 1.153 367 P CA 1.048 64.241 63.100 0.155 0.000 0.848 367 P CB -0.279 31.519 31.700 0.163 0.000 0.787 368 Y N 1.814 122.161 120.300 0.077 0.000 2.069 368 Y HA -0.282 4.268 4.550 -0.000 0.000 0.278 368 Y C 2.181 178.101 175.900 0.033 0.000 1.175 368 Y CA 1.958 60.091 58.100 0.054 0.000 1.134 368 Y CB -0.955 37.503 38.460 -0.004 0.000 0.965 368 Y HN 0.012 nan 8.280 nan 0.000 0.498 369 E N -0.865 119.353 120.200 0.031 0.000 2.110 369 E HA -0.174 4.175 4.350 -0.000 0.000 0.193 369 E C 2.412 178.958 176.600 -0.091 0.000 0.988 369 E CA 0.855 57.213 56.400 -0.070 0.000 0.804 369 E CB -0.566 29.155 29.700 0.034 0.000 0.745 369 E HN 0.668 nan 8.360 nan 0.000 0.458 370 G N 1.162 109.952 108.800 -0.018 0.000 2.422 370 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 370 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 370 G C 1.578 176.451 174.900 -0.045 0.000 1.146 370 G CA 0.540 45.639 45.100 -0.002 0.000 0.769 370 G HN 0.125 nan 8.290 nan 0.000 0.547 371 I N 0.151 120.681 120.570 -0.066 0.000 2.233 371 I HA -0.106 4.064 4.170 -0.000 0.000 0.243 371 I C 2.767 178.771 176.117 -0.189 0.000 1.093 371 I CA 0.264 61.521 61.300 -0.071 0.000 1.380 371 I CB -0.322 37.682 38.000 0.008 0.000 1.067 371 I HN 0.005 nan 8.210 nan 0.000 0.413 372 V N 1.641 121.364 119.914 -0.319 0.000 2.250 372 V HA -0.342 3.778 4.120 -0.000 0.000 0.250 372 V C 2.191 178.174 176.094 -0.185 0.000 1.060 372 V CA 2.241 64.361 62.300 -0.300 0.000 1.030 372 V CB -0.920 30.659 31.823 -0.406 0.000 0.643 372 V HN 0.474 nan 8.190 nan 0.000 0.445 373 N N -0.058 118.551 118.700 -0.152 0.000 2.205 373 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 373 N C 1.790 177.222 175.510 -0.129 0.000 1.015 373 N CA 1.385 54.367 53.050 -0.115 0.000 0.862 373 N CB -0.399 38.037 38.487 -0.085 0.000 0.986 373 N HN 0.406 nan 8.380 nan 0.000 0.429 374 K N 1.212 121.512 120.400 -0.167 0.000 2.025 374 K HA 0.090 4.409 4.320 -0.000 0.000 0.207 374 K C 1.740 178.178 176.600 -0.269 0.000 1.049 374 K CA 0.978 57.120 56.287 -0.243 0.000 0.933 374 K CB -0.315 31.957 32.500 -0.380 0.000 0.714 374 K HN 0.153 nan 8.250 nan 0.000 0.438 375 L N -0.916 120.156 121.223 -0.252 0.000 2.509 375 L HA 0.217 4.556 4.340 -0.000 0.000 0.222 375 L C 1.040 177.838 176.870 -0.120 0.000 1.123 375 L CA 0.364 55.085 54.840 -0.199 0.000 0.856 375 L CB -0.238 41.730 42.059 -0.153 0.000 0.985 375 L HN 0.518 nan 8.230 nan 0.000 0.456 376 G N 1.738 110.470 108.800 -0.113 0.000 2.225 376 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.267 376 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.267 376 G C 0.109 174.973 174.900 -0.060 0.000 1.024 376 G CA 1.090 46.142 45.100 -0.079 0.000 0.784 376 G HN 0.559 nan 8.290 nan 0.000 0.507 377 K N -1.607 118.755 120.400 -0.064 0.000 2.617 377 K HA 0.630 4.950 4.320 -0.000 0.000 0.293 377 K C -0.360 176.218 176.600 -0.036 0.000 1.034 377 K CA -1.178 55.087 56.287 -0.037 0.000 0.884 377 K CB 0.923 33.412 32.500 -0.019 0.000 1.541 377 K HN 0.125 nan 8.250 nan 0.000 0.409 378 E N 0.555 120.756 120.200 0.001 0.000 2.437 378 E HA 0.221 4.571 4.350 -0.000 0.000 0.263 378 E C -0.677 175.955 176.600 0.053 0.000 1.030 378 E CA -0.495 55.927 56.400 0.036 0.000 0.934 378 E CB 0.672 30.411 29.700 0.066 0.000 0.943 378 E HN 0.240 nan 8.360 nan 0.000 0.444 379 V N 3.162 123.139 119.914 0.105 0.000 2.531 379 V HA 0.092 4.212 4.120 -0.000 0.000 0.301 379 V C -0.546 175.732 176.094 0.307 0.000 1.034 379 V CA -0.992 61.396 62.300 0.147 0.000 0.865 379 V CB 1.953 33.774 31.823 -0.003 0.000 0.995 379 V HN 0.636 nan 8.190 nan 0.000 0.424 380 D N 3.004 123.547 120.400 0.239 0.000 2.423 380 D HA 0.258 4.897 4.640 -0.000 0.000 0.238 380 D C -0.694 175.772 176.300 0.277 0.000 1.142 380 D CA 0.680 54.820 54.000 0.233 0.000 0.884 380 D CB 0.840 41.762 40.800 0.203 0.000 1.199 380 D HN 0.552 nan 8.370 nan 0.000 0.438 381 Y N -0.354 119.975 120.300 0.048 0.000 2.519 381 Y HA 0.394 4.943 4.550 -0.000 0.000 0.336 381 Y C -1.273 174.590 175.900 -0.062 0.000 1.089 381 Y CA -0.516 57.563 58.100 -0.033 0.000 1.025 381 Y CB 2.121 40.462 38.460 -0.198 0.000 1.318 381 Y HN 0.281 nan 8.280 nan 0.000 0.452 382 T N 4.749 118.774 114.554 -0.882 0.000 2.933 382 T HA 0.243 4.592 4.350 -0.000 0.000 0.305 382 T C -0.042 173.967 174.700 -1.152 0.000 1.092 382 T CA -0.133 61.418 62.100 -0.914 0.000 1.008 382 T CB 1.652 70.296 68.868 -0.373 0.000 1.102 382 T HN 0.756 nan 8.240 nan 0.000 0.469 383 V N 4.353 123.790 119.914 -0.796 0.000 2.490 383 V HA 0.134 4.253 4.120 -0.000 0.000 0.250 383 V C 2.127 178.083 176.094 -0.229 0.000 1.061 383 V CA 3.227 65.310 62.300 -0.360 0.000 1.064 383 V CB -1.093 30.720 31.823 -0.017 0.000 0.670 383 V HN 1.375 nan 8.190 nan 0.000 0.461 384 G N -0.235 108.418 108.800 -0.246 0.000 3.078 384 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.227 384 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.227 384 G C 0.438 175.250 174.900 -0.147 0.000 1.306 384 G CA 0.452 45.446 45.100 -0.177 0.000 0.841 384 G HN 2.020 nan 8.290 nan 0.000 0.530 385 A N -1.881 120.874 122.820 -0.109 0.000 2.597 385 A HA 0.651 4.971 4.320 -0.000 0.000 0.292 385 A C -1.175 176.455 177.584 0.077 0.000 1.057 385 A CA -0.445 51.544 52.037 -0.080 0.000 0.674 385 A CB 0.595 19.584 19.000 -0.019 0.000 1.278 385 A HN 1.026 nan 8.150 nan 0.000 0.416 386 Y N 0.892 121.211 120.300 0.032 0.000 2.335 386 Y HA 0.568 5.118 4.550 -0.001 0.000 0.323 386 Y C 1.441 177.327 175.900 -0.022 0.000 1.224 386 Y CA -0.486 57.642 58.100 0.047 0.000 1.241 386 Y CB 1.864 40.363 38.460 0.066 0.000 1.235 386 Y HN 0.937 nan 8.280 nan 0.000 0.492 387 S N -1.006 114.790 115.700 0.160 0.000 3.101 387 S HA 0.134 4.603 4.470 -0.000 0.000 0.252 387 S C -0.722 174.043 174.600 0.276 0.000 0.920 387 S CA -0.708 57.591 58.200 0.165 0.000 1.158 387 S CB -1.328 62.009 63.200 0.229 0.000 1.125 387 S HN 0.743 nan 8.310 nan 0.000 0.608 388 H N 0.649 119.860 119.070 0.235 0.000 2.790 388 H HA 0.507 5.062 4.556 -0.000 0.000 0.358 388 H C 1.115 176.432 175.328 -0.017 0.000 1.103 388 H CA -0.160 55.928 56.048 0.067 0.000 1.426 388 H CB 0.806 30.527 29.762 -0.069 0.000 1.424 388 H HN 0.148 nan 8.280 nan 0.000 0.599 389 K N 1.364 121.547 120.400 -0.362 0.000 2.116 389 K HA -0.012 4.307 4.320 -0.000 0.000 0.203 389 K C -0.146 176.348 176.600 -0.177 0.000 1.052 389 K CA 0.969 56.854 56.287 -0.669 0.000 0.952 389 K CB 0.281 31.977 32.500 -1.340 0.000 0.729 389 K HN 0.788 nan 8.250 nan 0.000 0.446 390 S N -0.581 115.063 115.700 -0.093 0.000 2.595 390 S HA 0.444 4.914 4.470 -0.000 0.000 0.281 390 S C -0.415 174.135 174.600 -0.084 0.000 1.117 390 S CA -1.091 57.090 58.200 -0.031 0.000 0.873 390 S CB 1.362 64.522 63.200 -0.066 0.000 1.108 390 S HN 0.114 nan 8.310 nan 0.000 0.477 391 I N 2.643 123.132 120.570 -0.137 0.000 2.396 391 I HA 0.490 4.660 4.170 -0.000 0.000 0.289 391 I C 1.121 177.140 176.117 -0.163 0.000 1.056 391 I CA 0.145 61.279 61.300 -0.277 0.000 1.365 391 I CB 0.587 38.437 38.000 -0.249 0.000 1.407 391 I HN 0.971 nan 8.210 nan 0.000 0.509 392 G N 2.953 111.644 108.800 -0.180 0.000 3.414 392 G HA2 0.520 4.479 3.960 -0.000 0.000 0.189 392 G HA3 0.520 4.479 3.960 -0.000 0.000 0.189 392 G C 0.818 175.655 174.900 -0.106 0.000 1.329 392 G CA -0.108 44.929 45.100 -0.105 0.000 0.851 392 G HN 0.876 nan 8.290 nan 0.000 0.671 393 G N -0.859 107.897 108.800 -0.074 0.000 2.189 393 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.267 393 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.267 393 G C 1.253 176.134 174.900 -0.031 0.000 0.975 393 G CA 1.242 46.310 45.100 -0.053 0.000 0.644 393 G HN 1.139 nan 8.290 nan 0.000 0.537 394 L N 0.803 122.006 121.223 -0.034 0.000 1.993 394 L HA 0.553 4.892 4.340 -0.000 0.000 0.206 394 L C 3.017 179.913 176.870 0.044 0.000 1.074 394 L CA 2.959 57.782 54.840 -0.027 0.000 0.746 394 L CB -1.126 40.953 42.059 0.033 0.000 0.896 394 L HN 0.640 nan 8.230 nan 0.000 0.435 395 A N -0.417 122.428 122.820 0.043 0.000 1.917 395 A HA -0.265 4.054 4.320 -0.000 0.000 0.219 395 A C 2.014 179.638 177.584 0.066 0.000 1.182 395 A CA 2.020 54.092 52.037 0.057 0.000 0.633 395 A CB -0.884 18.137 19.000 0.036 0.000 0.819 395 A HN 0.615 nan 8.150 nan 0.000 0.448 396 E N 0.195 120.425 120.200 0.050 0.000 2.463 396 E HA -0.062 4.287 4.350 -0.000 0.000 0.201 396 E C 1.274 177.923 176.600 0.081 0.000 1.045 396 E CA 1.083 57.515 56.400 0.054 0.000 0.872 396 E CB -0.125 29.596 29.700 0.034 0.000 0.797 396 E HN 0.712 nan 8.360 nan 0.000 0.538 397 S N -1.826 113.946 115.700 0.120 0.000 3.021 397 S HA 0.394 4.864 4.470 -0.000 0.000 0.252 397 S C 0.066 174.819 174.600 0.255 0.000 0.996 397 S CA -0.701 57.604 58.200 0.176 0.000 1.084 397 S CB 0.465 63.794 63.200 0.216 0.000 1.021 397 S HN -0.072 nan 8.310 nan 0.000 0.566 398 S N 0.749 116.570 115.700 0.201 0.000 2.677 398 S HA 0.840 5.310 4.470 -0.000 0.000 0.304 398 S C -0.947 173.738 174.600 0.141 0.000 1.108 398 S CA -0.715 57.620 58.200 0.225 0.000 0.944 398 S CB 1.404 64.743 63.200 0.231 0.000 1.127 398 S HN 0.485 nan 8.310 nan 0.000 0.511 399 L N 1.329 122.632 121.223 0.133 0.000 2.371 399 L HA 0.529 4.869 4.340 -0.000 0.000 0.262 399 L C 0.311 177.234 176.870 0.089 0.000 1.006 399 L CA -0.678 54.217 54.840 0.093 0.000 0.818 399 L CB 1.476 43.578 42.059 0.072 0.000 1.354 399 L HN 0.595 nan 8.230 nan 0.000 0.415 400 I N 0.412 121.024 120.570 0.069 0.000 2.202 400 I HA -0.138 4.032 4.170 -0.000 0.000 0.242 400 I C 0.395 176.546 176.117 0.056 0.000 1.091 400 I CA 1.533 62.870 61.300 0.062 0.000 1.368 400 I CB 0.091 38.121 38.000 0.050 0.000 1.058 400 I HN 0.580 nan 8.210 nan 0.000 0.410 401 D N -0.759 119.670 120.400 0.048 0.000 2.736 401 D HA 0.447 5.087 4.640 -0.000 0.000 0.243 401 D C 0.553 176.876 176.300 0.037 0.000 1.304 401 D CA -0.149 53.875 54.000 0.040 0.000 0.934 401 D CB 1.511 42.329 40.800 0.031 0.000 1.382 401 D HN 0.085 nan 8.370 nan 0.000 0.571 402 A N 3.450 126.293 122.820 0.037 0.000 1.933 402 A HA 0.091 4.411 4.320 -0.000 0.000 0.218 402 A C 2.024 179.620 177.584 0.020 0.000 1.175 402 A CA 1.651 53.706 52.037 0.030 0.000 0.628 402 A CB -0.605 18.412 19.000 0.028 0.000 0.814 402 A HN 0.700 nan 8.150 nan 0.000 0.444 403 A N -0.897 121.933 122.820 0.017 0.000 2.209 403 A HA 0.093 4.412 4.320 -0.000 0.000 0.212 403 A C 1.071 178.663 177.584 0.014 0.000 1.158 403 A CA 0.537 52.581 52.037 0.012 0.000 0.742 403 A CB -0.169 18.837 19.000 0.009 0.000 0.790 403 A HN 0.487 nan 8.150 nan 0.000 0.472 404 K N 0.976 121.387 120.400 0.018 0.000 2.110 404 K HA 0.367 4.687 4.320 -0.000 0.000 0.263 404 K C -2.573 174.039 176.600 0.019 0.000 0.975 404 K CA -2.260 54.037 56.287 0.018 0.000 0.895 404 K CB 0.906 33.418 32.500 0.020 0.000 1.060 404 K HN 0.091 nan 8.250 nan 0.000 0.448 405 P HA -0.062 nan 4.420 nan 0.000 0.269 405 P C -0.782 176.531 177.300 0.021 0.000 1.217 405 P CA -0.142 62.968 63.100 0.017 0.000 0.783 405 P CB 0.459 32.167 31.700 0.014 0.000 0.898 406 A N 1.236 124.069 122.820 0.022 0.000 3.051 406 A HA 0.067 4.387 4.320 -0.000 0.000 0.257 406 A C 0.597 178.196 177.584 0.025 0.000 1.785 406 A CA -0.044 52.009 52.037 0.027 0.000 1.420 406 A CB -1.550 17.467 19.000 0.028 0.000 1.063 406 A HN 0.446 nan 8.150 nan 0.000 0.630 407 D N 0.646 121.060 120.400 0.024 0.000 2.369 407 D HA 0.385 5.024 4.640 -0.000 0.000 0.241 407 D C 1.446 177.761 176.300 0.025 0.000 1.271 407 D CA 0.585 54.598 54.000 0.022 0.000 0.942 407 D CB 0.865 41.677 40.800 0.020 0.000 1.129 407 D HN 0.233 nan 8.370 nan 0.000 0.476 408 A N 0.982 123.816 122.820 0.023 0.000 1.898 408 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 408 A C 1.925 179.524 177.584 0.027 0.000 1.181 408 A CA 1.568 53.621 52.037 0.026 0.000 0.620 408 A CB -0.627 18.387 19.000 0.024 0.000 0.819 408 A HN 0.767 nan 8.150 nan 0.000 0.442 409 E N -0.534 119.680 120.200 0.024 0.000 2.265 409 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 409 E C 1.396 178.012 176.600 0.028 0.000 0.996 409 E CA 1.289 57.703 56.400 0.024 0.000 0.832 409 E CB -0.061 29.651 29.700 0.020 0.000 0.756 409 E HN 0.605 nan 8.360 nan 0.000 0.491 410 N N -0.611 118.107 118.700 0.030 0.000 2.250 410 N HA 0.009 4.748 4.740 -0.000 0.000 0.190 410 N C -0.636 174.900 175.510 0.043 0.000 1.116 410 N CA -0.035 53.036 53.050 0.035 0.000 0.881 410 N CB 0.794 39.299 38.487 0.031 0.000 1.006 410 N HN -0.156 nan 8.380 nan 0.000 0.491 411 S N -0.548 115.178 115.700 0.043 0.000 2.475 411 S HA 0.672 5.142 4.470 -0.000 0.000 0.281 411 S C 0.267 174.900 174.600 0.055 0.000 1.198 411 S CA 0.326 58.557 58.200 0.052 0.000 1.063 411 S CB 0.307 63.535 63.200 0.048 0.000 0.972 411 S HN 0.640 nan 8.310 nan 0.000 0.486 412 G N 3.474 112.315 108.800 0.068 0.000 2.255 412 G HA2 0.015 3.975 3.960 -0.000 0.000 0.216 412 G HA3 0.015 3.975 3.960 -0.000 0.000 0.216 412 G C -1.811 173.136 174.900 0.079 0.000 1.307 412 G CA -0.549 44.593 45.100 0.069 0.000 1.162 412 G HN 0.805 nan 8.290 nan 0.000 0.494 413 L N -0.134 121.134 121.223 0.075 0.000 2.359 413 L HA 0.702 5.042 4.340 -0.000 0.000 0.256 413 L C -0.557 176.361 176.870 0.079 0.000 1.026 413 L CA -1.232 53.656 54.840 0.079 0.000 0.828 413 L CB 2.067 44.173 42.059 0.079 0.000 1.406 413 L HN 0.466 nan 8.230 nan 0.000 0.413 414 I N 1.575 122.189 120.570 0.074 0.000 2.359 414 I HA 0.463 4.632 4.170 -0.000 0.000 0.294 414 I C 0.224 176.390 176.117 0.081 0.000 0.987 414 I CA -0.436 60.911 61.300 0.078 0.000 1.225 414 I CB 1.502 39.540 38.000 0.063 0.000 1.366 414 I HN 0.598 nan 8.210 nan 0.000 0.466 415 A N 7.587 130.476 122.820 0.115 0.000 2.258 415 A HA 0.565 4.885 4.320 -0.000 0.000 0.316 415 A C -0.094 177.521 177.584 0.052 0.000 1.279 415 A CA -0.663 51.415 52.037 0.069 0.000 0.876 415 A CB 0.349 19.446 19.000 0.162 0.000 1.170 415 A HN 0.662 nan 8.150 nan 0.000 0.520 416 K N 2.449 122.819 120.400 -0.049 0.000 2.339 416 K HA 0.475 4.795 4.320 -0.000 0.000 0.264 416 K C -1.520 174.962 176.600 -0.197 0.000 0.986 416 K CA -0.026 56.231 56.287 -0.051 0.000 0.866 416 K CB 1.410 33.948 32.500 0.063 0.000 1.103 416 K HN 0.629 nan 8.250 nan 0.000 0.441 417 F N 2.325 122.040 119.950 -0.392 0.000 2.385 417 F HA 0.368 4.895 4.527 -0.001 0.000 0.336 417 F C -0.110 175.168 175.800 -0.870 0.000 1.100 417 F CA -0.382 57.304 58.000 -0.523 0.000 1.116 417 F CB 0.773 39.283 39.000 -0.816 0.000 1.166 417 F HN 0.371 nan 8.300 nan 0.000 0.511 418 Y N 0.224 120.564 120.300 0.066 0.000 2.524 418 Y HA 0.203 4.753 4.550 -0.001 0.000 0.347 418 Y C 0.815 177.182 175.900 0.777 0.000 1.005 418 Y CA -0.730 57.576 58.100 0.344 0.000 1.025 418 Y CB 2.206 40.797 38.460 0.218 0.000 1.275 418 Y HN 0.496 nan 8.280 nan 0.000 0.460 419 S N 0.855 117.081 115.700 0.877 0.000 2.402 419 S HA -0.064 4.406 4.470 -0.000 0.000 0.229 419 S C 0.015 174.935 174.600 0.533 0.000 1.021 419 S CA 1.015 59.582 58.200 0.612 0.000 0.974 419 S CB -0.252 63.142 63.200 0.323 0.000 0.800 419 S HN 0.662 nan 8.310 nan 0.000 0.484 420 N N 0.306 119.199 118.700 0.323 0.000 2.265 420 N HA 0.411 5.150 4.740 -0.000 0.000 0.300 420 N C -2.884 172.309 175.510 -0.528 0.000 1.148 420 N CA -1.630 51.359 53.050 -0.102 0.000 0.772 420 N CB 2.143 40.587 38.487 -0.071 0.000 1.434 420 N HN -0.004 nan 8.380 nan 0.000 0.481 426 S N 0.742 116.413 115.700 -0.049 0.000 2.579 426 S HA 0.039 4.509 4.470 -0.000 0.000 0.275 426 S C 0.429 175.010 174.600 -0.031 0.000 1.345 426 S CA 0.382 58.561 58.200 -0.034 0.000 1.031 426 S CB 1.066 64.258 63.200 -0.013 0.000 0.892 426 S HN 0.674 nan 8.310 nan 0.000 0.529 427 D N 0.717 121.101 120.400 -0.027 0.000 2.218 427 D HA -0.163 4.476 4.640 -0.000 0.000 0.194 427 D C 0.720 177.028 176.300 0.014 0.000 1.007 427 D CA 1.971 55.961 54.000 -0.016 0.000 0.879 427 D CB -0.129 40.666 40.800 -0.008 0.000 0.918 427 D HN 0.676 nan 8.370 nan 0.000 0.449 428 D N 0.442 120.857 120.400 0.024 0.000 2.370 428 D HA 0.019 4.658 4.640 -0.000 0.000 0.230 428 D C 0.048 176.395 176.300 0.078 0.000 1.143 428 D CA 0.131 54.160 54.000 0.048 0.000 0.834 428 D CB 0.105 40.926 40.800 0.036 0.000 0.944 428 D HN 0.383 nan 8.370 nan 0.000 0.504 429 E N 0.958 121.219 120.200 0.102 0.000 2.313 429 E HA 0.145 4.495 4.350 -0.000 0.000 0.272 429 E C -0.466 176.294 176.600 0.266 0.000 1.038 429 E CA -0.342 56.165 56.400 0.178 0.000 0.863 429 E CB 1.214 31.035 29.700 0.202 0.000 1.060 429 E HN -0.102 nan 8.360 nan 0.000 0.402 430 E N 2.779 123.122 120.200 0.238 0.000 2.202 430 E HA 0.315 4.665 4.350 -0.000 0.000 0.272 430 E C -2.455 174.150 176.600 0.009 0.000 0.951 430 E CA -2.317 54.179 56.400 0.159 0.000 0.813 430 E CB 1.184 30.950 29.700 0.109 0.000 1.151 430 E HN 0.161 nan 8.360 nan 0.000 0.398 431 P HA 0.028 nan 4.420 nan 0.000 0.271 431 P C 0.004 177.187 177.300 -0.195 0.000 1.220 431 P CA 0.124 62.866 63.100 -0.597 0.000 0.768 431 P CB 0.129 31.526 31.700 -0.506 0.000 0.848 432 F N 0.585 120.462 119.950 -0.122 0.000 2.743 432 F HA 0.306 4.832 4.527 -0.001 0.000 0.297 432 F C 0.577 176.411 175.800 0.057 0.000 1.131 432 F CA -0.107 57.862 58.000 -0.050 0.000 1.426 432 F CB -0.440 38.471 39.000 -0.148 0.000 1.116 432 F HN 0.283 nan 8.300 nan 0.000 0.583 433 H N -0.195 118.678 119.070 -0.328 0.000 2.954 433 H HA 0.674 5.230 4.556 -0.000 0.000 0.361 433 H C -1.795 173.573 175.328 0.066 0.000 1.122 433 H CA -0.969 55.045 56.048 -0.056 0.000 1.217 433 H CB 2.221 31.892 29.762 -0.151 0.000 1.776 433 H HN -0.109 nan 8.280 nan 0.000 0.533 434 V N 4.503 124.255 119.914 -0.271 0.000 2.531 434 V HA 0.507 4.627 4.120 -0.000 0.000 0.301 434 V C -0.702 175.347 176.094 -0.076 0.000 1.034 434 V CA -0.517 61.753 62.300 -0.049 0.000 0.865 434 V CB 1.901 33.696 31.823 -0.047 0.000 0.995 434 V HN 0.972 nan 8.190 nan 0.000 0.424 435 T N 3.423 118.096 114.554 0.198 0.000 2.876 435 T HA 0.443 4.793 4.350 -0.000 0.000 0.289 435 T C -0.568 174.221 174.700 0.149 0.000 1.014 435 T CA -0.856 61.366 62.100 0.204 0.000 0.986 435 T CB 2.064 71.172 68.868 0.401 0.000 1.021 435 T HN 0.388 nan 8.240 nan 0.000 0.458 436 K N 2.322 122.765 120.400 0.071 0.000 2.316 436 K HA 0.382 4.702 4.320 -0.000 0.000 0.289 436 K C -0.850 175.772 176.600 0.038 0.000 1.070 436 K CA -0.258 56.062 56.287 0.054 0.000 0.928 436 K CB 0.743 33.261 32.500 0.030 0.000 1.039 436 K HN 0.408 nan 8.250 nan 0.000 0.480 437 V N 5.091 125.048 119.914 0.072 0.000 2.383 437 V HA 0.073 4.193 4.120 -0.000 0.000 0.275 437 V C 0.768 176.888 176.094 0.042 0.000 1.036 437 V CA -0.364 61.978 62.300 0.069 0.000 0.889 437 V CB 1.334 33.244 31.823 0.145 0.000 0.985 437 V HN 0.723 nan 8.190 nan 0.000 0.459 438 N N 3.260 121.969 118.700 0.015 0.000 2.499 438 N HA 0.172 4.912 4.740 -0.000 0.000 0.182 438 N C 0.545 176.066 175.510 0.019 0.000 1.034 438 N CA 0.571 53.632 53.050 0.018 0.000 0.882 438 N CB 0.316 38.806 38.487 0.006 0.000 1.125 438 N HN 0.568 nan 8.380 nan 0.000 0.436 439 R N -0.182 120.325 120.500 0.012 0.000 2.474 439 R HA 0.418 4.758 4.340 -0.000 0.000 0.295 439 R C 0.879 177.173 176.300 -0.010 0.000 0.980 439 R CA -0.312 55.790 56.100 0.003 0.000 0.934 439 R CB 1.477 31.778 30.300 0.001 0.000 1.101 439 R HN -0.053 nan 8.270 nan 0.000 0.469 440 S N 1.191 116.874 115.700 -0.028 0.000 2.356 440 S HA -0.134 4.336 4.470 -0.000 0.000 0.223 440 S C 0.920 175.442 174.600 -0.131 0.000 1.032 440 S CA 1.062 59.227 58.200 -0.058 0.000 1.005 440 S CB -0.208 62.969 63.200 -0.039 0.000 0.867 440 S HN 0.546 nan 8.310 nan 0.000 0.449 441 N N 2.184 120.824 118.700 -0.101 0.000 2.416 441 N HA 0.094 4.834 4.740 -0.000 0.000 0.265 441 N C -1.321 174.116 175.510 -0.123 0.000 1.195 441 N CA 0.210 53.183 53.050 -0.128 0.000 0.943 441 N CB 0.498 38.947 38.487 -0.064 0.000 1.115 441 N HN -0.086 nan 8.380 nan 0.000 0.481 442 V N 4.589 124.307 119.914 -0.326 0.000 2.333 442 V HA 0.133 4.253 4.120 -0.000 0.000 0.274 442 V C -0.330 175.651 176.094 -0.189 0.000 1.028 442 V CA -0.627 61.498 62.300 -0.292 0.000 0.851 442 V CB 0.383 31.737 31.823 -0.782 0.000 1.000 442 V HN 0.638 nan 8.190 nan 0.000 0.456 443 H N 5.127 124.157 119.070 -0.068 0.000 2.481 443 H HA 0.780 5.335 4.556 -0.001 0.000 0.333 443 H C -0.619 174.707 175.328 -0.004 0.000 1.066 443 H CA -0.206 55.805 56.048 -0.063 0.000 1.209 443 H CB 1.139 30.873 29.762 -0.047 0.000 1.445 443 H HN 0.550 nan 8.280 nan 0.000 0.488 448 K N 5.383 125.338 120.400 -0.742 0.000 2.292 448 K HA 0.565 4.885 4.320 -0.000 0.000 0.257 448 K C -1.405 174.738 176.600 -0.762 0.000 0.940 448 K CA -0.915 55.025 56.287 -0.578 0.000 0.811 448 K CB 2.065 34.414 32.500 -0.251 0.000 1.120 448 K HN 0.576 nan 8.250 nan 0.000 0.428 449 H N 1.725 120.427 119.070 -0.612 0.000 3.046 449 H HA 0.012 4.568 4.556 -0.000 0.000 0.363 449 H C -0.005 175.172 175.328 -0.252 0.000 1.203 449 H CA -0.422 55.371 56.048 -0.424 0.000 1.169 449 H CB 1.981 31.498 29.762 -0.407 0.000 1.851 449 H HN 0.767 nan 8.280 nan 0.000 0.546 450 E N 2.529 122.687 120.200 -0.069 0.000 2.153 450 E HA -0.107 4.242 4.350 -0.000 0.000 0.194 450 E C 0.789 177.396 176.600 0.012 0.000 0.988 450 E CA 1.296 57.686 56.400 -0.017 0.000 0.811 450 E CB 0.125 29.788 29.700 -0.060 0.000 0.746 450 E HN 0.344 nan 8.360 nan 0.000 0.466 451 K N 0.456 120.872 120.400 0.025 0.000 2.525 451 K HA 0.115 4.434 4.320 -0.000 0.000 0.192 451 K C -0.468 175.935 176.600 -0.328 0.000 1.029 451 K CA 0.160 56.242 56.287 -0.341 0.000 1.029 451 K CB 0.500 32.447 32.500 -0.921 0.000 0.814 451 K HN 0.050 nan 8.250 nan 0.000 0.503 452 V N 2.300 122.118 119.914 -0.160 0.000 2.328 452 V HA 0.033 4.153 4.120 -0.000 0.000 0.278 452 V C -0.341 175.773 176.094 0.033 0.000 1.021 452 V CA -1.063 61.220 62.300 -0.028 0.000 0.838 452 V CB 1.252 33.034 31.823 -0.068 0.000 0.999 452 V HN 0.083 nan 8.190 nan 0.000 0.447 453 D N 7.961 128.413 120.400 0.087 0.000 2.426 453 D HA 0.070 4.710 4.640 -0.000 0.000 0.261 453 D C -1.204 175.154 176.300 0.096 0.000 1.245 453 D CA -1.362 52.688 54.000 0.083 0.000 0.917 453 D CB 1.548 42.413 40.800 0.107 0.000 1.123 453 D HN 0.221 nan 8.370 nan 0.000 0.508 454 P HA -0.218 nan 4.420 nan 0.000 0.219 454 P C 0.446 177.806 177.300 0.100 0.000 1.159 454 P CA 2.017 65.160 63.100 0.071 0.000 0.944 454 P CB 0.193 31.925 31.700 0.052 0.000 0.792 455 K N -2.847 117.605 120.400 0.087 0.000 2.438 455 K HA 0.153 4.473 4.320 -0.000 0.000 0.205 455 K C 0.240 176.877 176.600 0.061 0.000 1.033 455 K CA -0.026 56.312 56.287 0.085 0.000 1.089 455 K CB 0.136 32.685 32.500 0.082 0.000 0.857 455 K HN -0.019 nan 8.250 nan 0.000 0.522 456 N N 2.038 120.782 118.700 0.073 0.000 2.813 456 N HA 0.124 4.863 4.740 -0.000 0.000 0.282 456 N C -2.860 172.708 175.510 0.095 0.000 1.748 456 N CA -1.889 51.204 53.050 0.072 0.000 0.860 456 N CB 0.867 39.419 38.487 0.108 0.000 1.204 456 N HN -0.111 nan 8.380 nan 0.000 0.490 457 P HA 0.188 nan 4.420 nan 0.000 0.280 457 P C -1.250 176.028 177.300 -0.037 0.000 1.386 457 P CA -0.060 63.150 63.100 0.183 0.000 0.899 457 P CB -0.148 31.745 31.700 0.321 0.000 1.098 458 Y N 5.036 125.399 120.300 0.106 0.000 2.328 458 Y HA 0.543 5.093 4.550 -0.000 0.000 0.337 458 Y C 0.345 176.314 175.900 0.115 0.000 0.966 458 Y CA -0.123 57.917 58.100 -0.100 0.000 1.136 458 Y CB 1.043 39.477 38.460 -0.043 0.000 1.170 458 Y HN 0.315 nan 8.280 nan 0.000 0.470 459 F N 0.589 120.540 119.950 0.001 0.000 2.741 459 F HA 0.809 5.336 4.527 -0.000 0.000 0.313 459 F C -2.191 173.443 175.800 -0.277 0.000 1.153 459 F CA -2.134 55.966 58.000 0.166 0.000 0.931 459 F CB 1.494 40.802 39.000 0.514 0.000 1.335 459 F HN 0.102 nan 8.300 nan 0.000 0.460 460 F N 0.688 120.903 119.950 0.442 0.000 2.578 460 F HA 0.721 5.248 4.527 -0.000 0.000 0.311 460 F C -0.846 175.076 175.800 0.203 0.000 1.094 460 F CA -1.267 56.840 58.000 0.178 0.000 0.923 460 F CB 2.420 41.476 39.000 0.093 0.000 1.230 460 F HN 0.384 nan 8.300 nan 0.000 0.450 461 V N 1.500 121.552 119.914 0.230 0.000 2.495 461 V HA 0.469 4.589 4.120 -0.000 0.000 0.298 461 V C -0.458 175.643 176.094 0.011 0.000 1.031 461 V CA -0.660 61.632 62.300 -0.015 0.000 0.871 461 V CB 1.988 33.673 31.823 -0.230 0.000 0.988 461 V HN 0.789 nan 8.190 nan 0.000 0.432 462 T N 6.264 120.843 114.554 0.041 0.000 2.781 462 T HA 0.485 4.835 4.350 -0.000 0.000 0.305 462 T C -0.536 174.160 174.700 -0.007 0.000 1.001 462 T CA -0.106 62.003 62.100 0.016 0.000 0.950 462 T CB 0.636 69.548 68.868 0.072 0.000 0.955 462 T HN 0.365 nan 8.240 nan 0.000 0.471 463 L N 5.438 126.640 121.223 -0.035 0.000 2.280 463 L HA 0.651 4.991 4.340 -0.000 0.000 0.287 463 L C 0.237 177.103 176.870 -0.008 0.000 1.023 463 L CA 0.092 54.932 54.840 0.001 0.000 0.819 463 L CB 0.883 42.973 42.059 0.053 0.000 1.212 463 L HN 0.729 nan 8.230 nan 0.000 0.420 464 T N 1.373 115.941 114.554 0.024 0.000 2.906 464 T HA 1.018 5.368 4.350 -0.000 0.000 0.295 464 T C -0.211 174.526 174.700 0.061 0.000 1.075 464 T CA -0.340 61.781 62.100 0.034 0.000 1.005 464 T CB 1.942 70.829 68.868 0.032 0.000 1.136 464 T HN 0.974 nan 8.240 nan 0.000 0.498 465 G N 0.318 109.165 108.800 0.079 0.000 2.315 465 G HA2 0.464 4.424 3.960 -0.000 0.000 0.294 465 G HA3 0.464 4.424 3.960 -0.000 0.000 0.294 465 G C -2.232 172.748 174.900 0.133 0.000 1.300 465 G CA -0.961 44.199 45.100 0.100 0.000 0.843 465 G HN 0.819 nan 8.290 nan 0.000 0.527 466 Q N -0.492 119.396 119.800 0.146 0.000 2.312 466 Q HA 0.497 4.837 4.340 -0.000 0.000 0.263 466 Q C -1.728 174.423 176.000 0.253 0.000 0.995 466 Q CA -0.778 55.131 55.803 0.176 0.000 0.853 466 Q CB 3.005 31.813 28.738 0.117 0.000 1.300 466 Q HN 0.529 nan 8.270 nan 0.000 0.448 467 Y N 1.450 121.847 120.300 0.162 0.000 2.335 467 Y HA 0.403 4.952 4.550 -0.000 0.000 0.338 467 Y C -1.137 174.856 175.900 0.154 0.000 0.977 467 Y CA -0.890 57.303 58.100 0.154 0.000 1.114 467 Y CB 1.258 39.839 38.460 0.201 0.000 1.182 467 Y HN 0.364 nan 8.280 nan 0.000 0.463 468 V N 8.947 128.601 119.914 -0.434 0.000 2.325 468 V HA 0.341 4.461 4.120 -0.000 0.000 0.280 468 V C -2.273 173.456 176.094 -0.609 0.000 1.016 468 V CA -2.097 59.991 62.300 -0.354 0.000 0.818 468 V CB 1.021 32.763 31.823 -0.136 0.000 1.019 468 V HN 0.728 nan 8.190 nan 0.000 0.434 469 P HA 0.047 nan 4.420 nan 0.000 0.262 469 P C 0.442 177.641 177.300 -0.169 0.000 1.182 469 P CA 0.248 63.039 63.100 -0.515 0.000 0.761 469 P CB 0.561 31.997 31.700 -0.440 0.000 0.795 470 Q N 1.187 120.970 119.800 -0.028 0.000 2.384 470 Q HA 0.087 4.427 4.340 -0.000 0.000 0.207 470 Q C 0.171 176.231 176.000 0.100 0.000 0.904 470 Q CA 0.882 56.709 55.803 0.040 0.000 0.933 470 Q CB 0.630 29.399 28.738 0.051 0.000 1.077 470 Q HN 0.644 nan 8.270 nan 0.000 0.522 471 E N 0.272 120.586 120.200 0.190 0.000 2.392 471 E HA 0.293 4.643 4.350 -0.000 0.000 0.269 471 E C -1.054 175.682 176.600 0.226 0.000 0.924 471 E CA -0.727 55.779 56.400 0.176 0.000 0.784 471 E CB 1.511 31.299 29.700 0.147 0.000 1.292 471 E HN -0.052 nan 8.360 nan 0.000 0.447 472 D N 0.429 120.923 120.400 0.156 0.000 2.302 472 D HA 0.476 5.116 4.640 -0.000 0.000 0.248 472 D C 0.340 176.738 176.300 0.163 0.000 1.094 472 D CA 0.486 54.584 54.000 0.162 0.000 0.897 472 D CB 1.681 42.544 40.800 0.105 0.000 1.200 472 D HN 0.659 nan 8.370 nan 0.000 0.429 473 G N 2.095 111.013 108.800 0.198 0.000 2.247 473 G HA2 -0.107 3.852 3.960 -0.000 0.000 0.229 473 G HA3 -0.107 3.852 3.960 -0.000 0.000 0.229 473 G C -1.464 173.534 174.900 0.164 0.000 1.345 473 G CA -0.792 44.382 45.100 0.123 0.000 1.100 473 G HN 0.406 nan 8.290 nan 0.000 0.473 474 D N 0.319 120.747 120.400 0.047 0.000 2.255 474 D HA 0.660 5.300 4.640 -0.000 0.000 0.249 474 D C -0.894 175.355 176.300 -0.085 0.000 1.078 474 D CA 0.664 54.694 54.000 0.051 0.000 0.896 474 D CB 0.948 41.755 40.800 0.012 0.000 1.194 474 D HN 0.344 nan 8.370 nan 0.000 0.429 475 Y N 0.529 120.809 120.300 -0.033 0.000 2.421 475 Y HA 0.438 4.988 4.550 -0.000 0.000 0.339 475 Y C -0.233 175.551 175.900 -0.194 0.000 0.996 475 Y CA -0.815 57.201 58.100 -0.138 0.000 1.046 475 Y CB 1.374 39.705 38.460 -0.214 0.000 1.226 475 Y HN 0.176 nan 8.280 nan 0.000 0.445 476 I N 4.471 124.963 120.570 -0.129 0.000 2.330 476 I HA 0.304 4.473 4.170 -0.000 0.000 0.289 476 I C -0.857 175.094 176.117 -0.277 0.000 1.001 476 I CA -0.378 60.853 61.300 -0.115 0.000 1.193 476 I CB 0.608 38.577 38.000 -0.053 0.000 1.345 476 I HN 0.386 nan 8.210 nan 0.000 0.461 477 F N 3.990 123.854 119.950 -0.144 0.000 2.403 477 F HA 0.567 5.094 4.527 -0.001 0.000 0.326 477 F C 0.711 176.396 175.800 -0.190 0.000 1.081 477 F CA -0.117 57.729 58.000 -0.257 0.000 1.041 477 F CB 1.837 40.505 39.000 -0.554 0.000 1.234 477 F HN 0.464 nan 8.300 nan 0.000 0.503 478 S N 2.016 117.789 115.700 0.121 0.000 2.579 478 S HA 0.822 5.292 4.470 -0.000 0.000 0.272 478 S C -1.860 172.938 174.600 0.330 0.000 1.141 478 S CA -0.778 57.511 58.200 0.149 0.000 0.843 478 S CB 1.960 65.206 63.200 0.076 0.000 1.122 478 S HN 0.643 nan 8.310 nan 0.000 0.468 479 L N 0.846 122.227 121.223 0.263 0.000 2.455 479 L HA 0.644 4.983 4.340 -0.000 0.000 0.264 479 L C -1.346 175.632 176.870 0.180 0.000 0.968 479 L CA -0.078 54.928 54.840 0.277 0.000 0.827 479 L CB 2.189 44.445 42.059 0.329 0.000 1.317 479 L HN 0.957 nan 8.230 nan 0.000 0.407 480 Q N 3.053 122.960 119.800 0.179 0.000 2.356 480 Q HA 0.812 5.152 4.340 -0.000 0.000 0.270 480 Q C -1.458 174.664 176.000 0.203 0.000 1.058 480 Q CA -0.848 55.045 55.803 0.150 0.000 0.802 480 Q CB 2.995 31.799 28.738 0.109 0.000 1.303 480 Q HN 0.590 nan 8.270 nan 0.000 0.444 481 V N -0.701 119.327 119.914 0.191 0.000 3.007 481 V HA 0.598 4.718 4.120 -0.000 0.000 0.311 481 V C -1.708 174.531 176.094 0.242 0.000 1.120 481 V CA -0.927 61.524 62.300 0.252 0.000 0.980 481 V CB 1.812 33.756 31.823 0.201 0.000 1.033 481 V HN 0.785 nan 8.190 nan 0.000 0.429 482 Y N 3.157 123.544 120.300 0.144 0.000 2.402 482 Y HA 0.801 5.350 4.550 -0.000 0.000 0.332 482 Y C 0.438 176.373 175.900 0.057 0.000 0.960 482 Y CA 0.418 58.558 58.100 0.065 0.000 1.228 482 Y CB 0.936 39.416 38.460 0.033 0.000 1.120 482 Y HN 1.643 nan 8.280 nan 0.000 0.491 483 G N 3.120 111.658 108.800 -0.438 0.000 2.713 483 G HA2 0.154 4.114 3.960 -0.000 0.000 0.215 483 G HA3 0.154 4.114 3.960 -0.000 0.000 0.215 483 G C -0.658 174.074 174.900 -0.280 0.000 1.265 483 G CA -0.187 44.638 45.100 -0.457 0.000 1.204 483 G HN 1.520 nan 8.290 nan 0.000 0.545 484 S N -0.510 114.990 115.700 -0.332 0.000 2.550 484 S HA 0.937 5.406 4.470 -0.000 0.000 0.270 484 S C -0.307 174.142 174.600 -0.251 0.000 1.145 484 S CA 0.704 58.760 58.200 -0.240 0.000 0.852 484 S CB 1.622 64.686 63.200 -0.227 0.000 1.119 484 S HN 2.664 nan 8.310 nan 0.000 0.465 485 G N 0.680 109.406 108.800 -0.124 0.000 2.523 485 G HA2 0.592 4.551 3.960 -0.000 0.000 0.291 485 G HA3 0.592 4.551 3.960 -0.000 0.000 0.291 485 G C -2.233 172.647 174.900 -0.034 0.000 1.450 485 G CA -0.839 44.208 45.100 -0.089 0.000 0.790 485 G HN 0.984 nan 8.290 nan 0.000 0.496 486 L N -0.162 121.071 121.223 0.016 0.000 2.422 486 L HA 0.602 4.942 4.340 -0.000 0.000 0.264 486 L C -1.236 175.735 176.870 0.167 0.000 0.984 486 L CA -0.715 54.178 54.840 0.089 0.000 0.819 486 L CB 2.912 45.078 42.059 0.179 0.000 1.330 486 L HN 0.549 nan 8.230 nan 0.000 0.410 487 F N 1.809 121.740 119.950 -0.031 0.000 2.436 487 F HA 0.565 5.092 4.527 -0.001 0.000 0.340 487 F C -1.068 174.647 175.800 -0.143 0.000 1.113 487 F CA -0.433 57.560 58.000 -0.010 0.000 1.022 487 F CB 1.056 40.029 39.000 -0.047 0.000 1.128 487 F HN 0.291 nan 8.300 nan 0.000 0.466 488 Y N 6.178 126.691 120.300 0.354 0.000 2.373 488 Y HA 0.480 5.030 4.550 -0.000 0.000 0.336 488 Y C -1.186 174.811 175.900 0.163 0.000 0.979 488 Y CA -1.076 57.124 58.100 0.166 0.000 1.080 488 Y CB 1.940 40.438 38.460 0.063 0.000 1.190 488 Y HN 0.399 nan 8.280 nan 0.000 0.446 489 L N 5.002 126.315 121.223 0.150 0.000 2.319 489 L HA 0.522 4.862 4.340 -0.000 0.000 0.281 489 L C -0.312 176.627 176.870 0.116 0.000 1.005 489 L CA -0.494 54.380 54.840 0.057 0.000 0.828 489 L CB 0.729 42.656 42.059 -0.221 0.000 1.227 489 L HN 0.732 nan 8.230 nan 0.000 0.415 490 N N 3.855 122.644 118.700 0.148 0.000 2.740 490 N HA -0.235 4.505 4.740 -0.000 0.000 0.248 490 N C -0.305 175.273 175.510 0.113 0.000 1.062 490 N CA 1.255 54.375 53.050 0.116 0.000 0.704 490 N CB -1.011 37.538 38.487 0.105 0.000 0.968 490 N HN 0.875 nan 8.380 nan 0.000 0.547 491 D N -1.564 118.927 120.400 0.152 0.000 2.945 491 D HA -0.225 4.415 4.640 -0.000 0.000 0.225 491 D C -0.102 176.357 176.300 0.264 0.000 1.158 491 D CA 1.235 55.340 54.000 0.174 0.000 0.805 491 D CB -0.603 40.239 40.800 0.070 0.000 1.098 491 D HN 0.725 nan 8.370 nan 0.000 0.426 492 E N 0.746 121.088 120.200 0.236 0.000 2.191 492 E HA 0.323 4.672 4.350 -0.000 0.000 0.263 492 E C -0.262 176.323 176.600 -0.024 0.000 0.881 492 E CA -0.880 55.598 56.400 0.130 0.000 0.757 492 E CB 1.387 31.121 29.700 0.057 0.000 1.147 492 E HN 0.083 nan 8.360 nan 0.000 0.414 493 L N 6.103 127.163 121.223 -0.271 0.000 2.578 493 L HA -0.013 4.326 4.340 -0.000 0.000 0.279 493 L C 0.407 177.095 176.870 -0.302 0.000 1.227 493 L CA 1.097 55.536 54.840 -0.667 0.000 0.900 493 L CB 0.333 42.023 42.059 -0.615 0.000 1.144 493 L HN 0.743 nan 8.230 nan 0.000 0.496 494 I N 2.094 122.501 120.570 -0.272 0.000 4.433 494 I HA 0.449 4.618 4.170 -0.000 0.000 0.322 494 I C 0.030 176.050 176.117 -0.161 0.000 1.284 494 I CA -0.087 61.087 61.300 -0.209 0.000 1.269 494 I CB 0.309 38.123 38.000 -0.311 0.000 1.219 494 I HN 0.373 nan 8.210 nan 0.000 0.436 495 I N 1.840 122.346 120.570 -0.108 0.000 2.571 495 I HA 0.341 4.511 4.170 -0.000 0.000 0.289 495 I C -1.736 174.389 176.117 0.012 0.000 1.115 495 I CA -0.437 60.852 61.300 -0.019 0.000 1.045 495 I CB 2.213 40.230 38.000 0.028 0.000 1.238 495 I HN -0.029 nan 8.210 nan 0.000 0.424 496 D N 5.808 126.213 120.400 0.008 0.000 2.427 496 D HA 0.266 4.906 4.640 -0.000 0.000 0.226 496 D C -0.361 175.949 176.300 0.017 0.000 1.076 496 D CA -0.151 53.854 54.000 0.009 0.000 0.849 496 D CB 1.123 41.956 40.800 0.056 0.000 1.052 496 D HN 0.314 nan 8.370 nan 0.000 0.515 497 Q N 3.391 123.190 119.800 -0.002 0.000 2.211 497 Q HA 0.127 4.467 4.340 -0.000 0.000 0.301 497 Q C 0.355 176.312 176.000 -0.073 0.000 0.884 497 Q CA -0.085 55.714 55.803 -0.006 0.000 1.115 497 Q CB 1.169 29.930 28.738 0.038 0.000 1.217 497 Q HN 0.559 nan 8.270 nan 0.000 0.451 498 K N -0.772 119.533 120.400 -0.158 0.000 2.313 498 K HA 0.042 4.361 4.320 -0.000 0.000 0.215 498 K C 1.135 177.595 176.600 -0.234 0.000 1.109 498 K CA 0.331 56.455 56.287 -0.272 0.000 0.895 498 K CB 0.263 32.464 32.500 -0.498 0.000 1.234 498 K HN 0.203 nan 8.250 nan 0.000 0.463 499 H N 0.276 119.342 119.070 -0.006 0.000 2.321 499 H HA 0.067 4.623 4.556 -0.001 0.000 0.300 499 H C 0.177 175.502 175.328 -0.005 0.000 1.087 499 H CA 1.007 57.051 56.048 -0.006 0.000 1.319 499 H CB 0.142 29.900 29.762 -0.006 0.000 1.379 499 H HN 0.083 nan 8.280 nan 0.000 0.501 500 N N 1.086 119.853 118.700 0.110 0.000 2.352 500 N HA 0.210 4.950 4.740 -0.000 0.000 0.291 500 N C -1.167 174.366 175.510 0.038 0.000 1.040 500 N CA -0.295 52.794 53.050 0.065 0.000 0.864 500 N CB 2.698 41.220 38.487 0.058 0.000 1.440 500 N HN 0.280 nan 8.380 nan 0.000 0.483 501 Q N 0.989 120.805 119.800 0.026 0.000 2.377 501 Q HA 0.435 4.775 4.340 -0.000 0.000 0.271 501 Q C -1.045 174.968 176.000 0.021 0.000 1.077 501 Q CA -0.597 55.218 55.803 0.020 0.000 0.820 501 Q CB 2.732 31.475 28.738 0.008 0.000 1.347 501 Q HN 0.424 nan 8.270 nan 0.000 0.444 502 E N 1.325 121.540 120.200 0.025 0.000 2.256 502 E HA 0.265 4.615 4.350 -0.000 0.000 0.268 502 E C -1.170 175.446 176.600 0.027 0.000 0.877 502 E CA -0.763 55.651 56.400 0.024 0.000 0.757 502 E CB 2.209 31.923 29.700 0.023 0.000 1.183 502 E HN 0.205 nan 8.360 nan 0.000 0.418 503 R N 1.875 122.389 120.500 0.023 0.000 2.490 503 R HA 0.534 4.874 4.340 -0.000 0.000 0.280 503 R C -0.428 175.879 176.300 0.012 0.000 1.077 503 R CA 0.215 56.330 56.100 0.025 0.000 1.065 503 R CB 0.973 31.284 30.300 0.019 0.000 1.003 503 R HN 0.721 nan 8.270 nan 0.000 0.470 510 A N 0.581 123.342 122.820 -0.097 0.000 1.933 510 A HA 0.451 4.771 4.320 -0.000 0.000 0.218 510 A C 1.912 179.517 177.584 0.036 0.000 1.175 510 A CA 2.262 54.216 52.037 -0.139 0.000 0.628 510 A CB -0.574 18.156 19.000 -0.449 0.000 0.814 510 A HN 0.989 nan 8.150 nan 0.000 0.444 511 G N -1.228 107.616 108.800 0.074 0.000 2.582 511 G HA2 0.412 4.371 3.960 -0.000 0.000 0.232 511 G HA3 0.412 4.371 3.960 -0.000 0.000 0.232 511 G C 0.510 175.491 174.900 0.135 0.000 1.458 511 G CA 0.499 45.749 45.100 0.250 0.000 1.062 511 G HN 0.611 nan 8.290 nan 0.000 0.566 512 T N -1.702 112.925 114.554 0.122 0.000 2.810 512 T HA 0.482 4.832 4.350 -0.000 0.000 0.277 512 T C 0.134 174.868 174.700 0.056 0.000 0.973 512 T CA -0.628 61.518 62.100 0.077 0.000 0.949 512 T CB 1.150 70.062 68.868 0.073 0.000 1.075 512 T HN 0.345 nan 8.240 nan 0.000 0.537 513 K N 0.667 121.093 120.400 0.043 0.000 2.126 513 K HA 0.201 4.521 4.320 -0.000 0.000 0.257 513 K C 0.287 176.916 176.600 0.047 0.000 1.007 513 K CA -0.491 55.817 56.287 0.035 0.000 0.928 513 K CB 0.723 33.240 32.500 0.029 0.000 1.013 513 K HN 0.697 nan 8.250 nan 0.000 0.473 514 E N 2.223 122.448 120.200 0.043 0.000 2.415 514 E HA -0.054 4.295 4.350 -0.000 0.000 0.263 514 E C -0.599 176.034 176.600 0.054 0.000 0.995 514 E CA 0.133 56.566 56.400 0.054 0.000 0.915 514 E CB 0.564 30.290 29.700 0.044 0.000 0.951 514 E HN 0.227 nan 8.360 nan 0.000 0.449 515 R N 2.512 123.051 120.500 0.065 0.000 2.589 515 R HA 0.376 4.716 4.340 -0.000 0.000 0.293 515 R C -0.502 175.831 176.300 0.055 0.000 0.963 515 R CA -0.597 55.536 56.100 0.055 0.000 0.905 515 R CB 1.917 32.249 30.300 0.054 0.000 1.144 515 R HN 0.605 nan 8.270 nan 0.000 0.459 516 T N -0.843 113.734 114.554 0.038 0.000 2.906 516 T HA 0.547 4.896 4.350 -0.000 0.000 0.295 516 T C -0.798 173.908 174.700 0.011 0.000 1.075 516 T CA -1.071 61.045 62.100 0.027 0.000 1.005 516 T CB 2.398 71.285 68.868 0.030 0.000 1.136 516 T HN 0.310 nan 8.240 nan 0.000 0.498 517 K N 0.929 121.330 120.400 0.001 0.000 2.507 517 K HA 0.460 4.780 4.320 -0.000 0.000 0.252 517 K C -0.942 175.689 176.600 0.052 0.000 0.943 517 K CA -0.600 55.689 56.287 0.003 0.000 0.808 517 K CB 1.689 34.157 32.500 -0.053 0.000 1.142 517 K HN 0.668 nan 8.250 nan 0.000 0.426 518 K N 4.333 124.762 120.400 0.048 0.000 2.339 518 K HA 0.392 4.712 4.320 -0.000 0.000 0.286 518 K C -0.953 175.699 176.600 0.087 0.000 1.050 518 K CA -0.211 56.115 56.287 0.064 0.000 0.956 518 K CB 0.400 32.927 32.500 0.045 0.000 0.990 518 K HN 0.551 nan 8.250 nan 0.000 0.475 519 L N 2.926 124.230 121.223 0.135 0.000 2.455 519 L HA 0.296 4.636 4.340 -0.000 0.000 0.264 519 L C -0.579 176.383 176.870 0.154 0.000 0.968 519 L CA -0.950 53.973 54.840 0.137 0.000 0.827 519 L CB 2.452 44.603 42.059 0.154 0.000 1.317 519 L HN 0.597 nan 8.230 nan 0.000 0.407 520 T N 3.632 118.261 114.554 0.126 0.000 2.737 520 T HA 0.503 4.853 4.350 -0.000 0.000 0.296 520 T C -0.132 174.656 174.700 0.146 0.000 0.922 520 T CA -0.222 61.962 62.100 0.139 0.000 1.079 520 T CB 0.600 69.533 68.868 0.108 0.000 0.892 520 T HN 0.081 nan 8.240 nan 0.000 0.514 521 L N 3.024 124.344 121.223 0.162 0.000 2.267 521 L HA 0.718 5.058 4.340 -0.000 0.000 0.264 521 L C -0.240 176.736 176.870 0.176 0.000 1.021 521 L CA -0.964 53.927 54.840 0.085 0.000 0.861 521 L CB 1.275 43.188 42.059 -0.243 0.000 1.443 521 L HN 0.453 nan 8.230 nan 0.000 0.475 522 K N 0.098 120.628 120.400 0.216 0.000 2.541 522 K HA 0.400 4.720 4.320 -0.000 0.000 0.250 522 K C -1.163 175.520 176.600 0.138 0.000 0.950 522 K CA -0.878 55.516 56.287 0.178 0.000 0.805 522 K CB 1.557 34.154 32.500 0.162 0.000 1.166 522 K HN 0.254 nan 8.250 nan 0.000 0.430 523 K N 1.354 121.815 120.400 0.102 0.000 2.511 523 K HA 0.019 4.339 4.320 -0.000 0.000 0.277 523 K C 0.973 177.602 176.600 0.048 0.000 1.025 523 K CA 1.978 58.304 56.287 0.065 0.000 1.112 523 K CB -0.379 32.163 32.500 0.070 0.000 0.859 523 K HN 0.717 nan 8.250 nan 0.000 0.485 524 G N 2.452 111.264 108.800 0.020 0.000 2.317 524 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.227 524 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.227 524 G C -0.014 174.894 174.900 0.013 0.000 1.042 524 G CA 0.366 45.473 45.100 0.011 0.000 0.623 524 G HN 0.837 nan 8.290 nan 0.000 0.509 525 Q N 1.019 120.847 119.800 0.047 0.000 2.314 525 Q HA 0.501 4.841 4.340 -0.000 0.000 0.258 525 Q C 0.035 176.061 176.000 0.044 0.000 0.954 525 Q CA -0.361 55.450 55.803 0.013 0.000 0.890 525 Q CB 1.077 29.804 28.738 -0.019 0.000 1.210 525 Q HN 0.279 nan 8.270 nan 0.000 0.410 526 V N 6.032 125.916 119.914 -0.050 0.000 2.389 526 V HA 0.159 4.278 4.120 -0.000 0.000 0.264 526 V C -0.690 175.374 176.094 -0.049 0.000 1.049 526 V CA -0.091 62.214 62.300 0.009 0.000 0.932 526 V CB -0.409 31.411 31.823 -0.005 0.000 1.011 526 V HN 0.646 nan 8.190 nan 0.000 0.475 527 Y N 2.907 123.240 120.300 0.056 0.000 2.457 527 Y HA 0.456 5.006 4.550 -0.000 0.000 0.333 527 Y C 0.721 176.686 175.900 0.108 0.000 1.119 527 Y CA -0.961 57.191 58.100 0.086 0.000 1.143 527 Y CB 1.312 39.847 38.460 0.125 0.000 1.230 527 Y HN 0.456 nan 8.280 nan 0.000 0.469 528 N N 1.807 120.645 118.700 0.230 0.000 2.426 528 N HA 0.281 5.021 4.740 -0.000 0.000 0.257 528 N C -1.242 174.380 175.510 0.186 0.000 1.002 528 N CA -0.295 52.856 53.050 0.168 0.000 0.942 528 N CB 1.492 40.041 38.487 0.103 0.000 1.112 528 N HN 0.431 nan 8.380 nan 0.000 0.499 529 V N 1.140 121.168 119.914 0.190 0.000 2.407 529 V HA 0.623 4.742 4.120 -0.000 0.000 0.278 529 V C 0.270 176.415 176.094 0.085 0.000 1.037 529 V CA -0.863 61.546 62.300 0.182 0.000 0.900 529 V CB 1.135 33.095 31.823 0.229 0.000 0.983 529 V HN 0.591 nan 8.190 nan 0.000 0.459 530 R N 3.396 123.930 120.500 0.057 0.000 2.538 530 R HA 0.784 5.123 4.340 -0.000 0.000 0.292 530 R C -2.314 173.936 176.300 -0.083 0.000 1.008 530 R CA -0.538 55.553 56.100 -0.017 0.000 0.896 530 R CB 2.443 32.729 30.300 -0.024 0.000 1.187 530 R HN 0.645 nan 8.270 nan 0.000 0.440 531 V N 4.230 124.044 119.914 -0.166 0.000 2.483 531 V HA 0.346 4.466 4.120 -0.000 0.000 0.297 531 V C -0.795 175.202 176.094 -0.161 0.000 1.027 531 V CA -0.730 61.432 62.300 -0.230 0.000 0.855 531 V CB 1.887 33.468 31.823 -0.403 0.000 0.995 531 V HN 0.750 nan 8.190 nan 0.000 0.424 532 E N 4.458 124.601 120.200 -0.095 0.000 2.081 532 E HA 0.303 4.653 4.350 -0.000 0.000 0.276 532 E C -1.300 175.247 176.600 -0.088 0.000 0.950 532 E CA -0.330 56.019 56.400 -0.084 0.000 0.776 532 E CB 2.172 31.827 29.700 -0.075 0.000 1.094 532 E HN 0.610 nan 8.360 nan 0.000 0.402 533 Y N 1.118 121.242 120.300 -0.294 0.000 2.487 533 Y HA 0.615 5.165 4.550 -0.001 0.000 0.337 533 Y C -0.016 175.771 175.900 -0.189 0.000 1.076 533 Y CA -0.810 57.038 58.100 -0.419 0.000 1.115 533 Y CB 1.831 39.761 38.460 -0.884 0.000 1.235 533 Y HN 0.440 nan 8.280 nan 0.000 0.468 534 G N 2.761 110.827 108.800 -1.224 0.000 2.513 534 G HA2 0.422 4.382 3.960 -0.000 0.000 0.317 534 G HA3 0.422 4.382 3.960 -0.000 0.000 0.317 534 G C -1.001 172.883 174.900 -1.694 0.000 1.277 534 G CA -0.645 43.769 45.100 -1.144 0.000 0.955 534 G HN 0.813 nan 8.290 nan 0.000 0.484 535 S N 0.946 115.806 115.700 -1.401 0.000 2.580 535 S HA 0.335 4.805 4.470 -0.000 0.000 0.266 535 S C 1.982 176.024 174.600 -0.931 0.000 1.354 535 S CA 0.619 58.081 58.200 -1.230 0.000 1.008 535 S CB 0.837 63.069 63.200 -1.613 0.000 0.898 535 S HN 1.104 nan 8.310 nan 0.000 0.555 536 G N 2.224 110.609 108.800 -0.691 0.000 2.440 536 G HA2 0.013 3.973 3.960 -0.000 0.000 0.218 536 G HA3 0.013 3.973 3.960 -0.000 0.000 0.218 536 G C -1.695 172.800 174.900 -0.675 0.000 1.154 536 G CA 0.452 45.210 45.100 -0.570 0.000 0.767 536 G HN 0.634 nan 8.290 nan 0.000 0.552 548 G N -1.409 107.530 108.800 0.232 0.000 2.292 548 G HA2 0.640 4.600 3.960 -0.000 0.000 0.194 548 G HA3 0.640 4.600 3.960 -0.000 0.000 0.194 548 G C 0.605 175.641 174.900 0.226 0.000 1.329 548 G CA 1.015 46.297 45.100 0.302 0.000 1.100 548 G HN 2.512 nan 8.290 nan 0.000 0.470 549 G N -1.705 107.208 108.800 0.189 0.000 2.362 549 G HA2 0.642 4.602 3.960 -0.000 0.000 0.656 549 G HA3 0.642 4.602 3.960 -0.000 0.000 0.656 549 G C -0.710 174.246 174.900 0.094 0.000 1.376 549 G CA 0.252 45.355 45.100 0.005 0.000 0.971 549 G HN 2.472 nan 8.290 nan 0.000 0.636 550 F N -2.076 117.736 119.950 -0.230 0.000 2.842 550 F HA 0.857 5.383 4.527 -0.001 0.000 0.319 550 F C -1.205 174.528 175.800 -0.112 0.000 1.159 550 F CA -0.900 56.995 58.000 -0.174 0.000 0.902 550 F CB 1.777 40.582 39.000 -0.326 0.000 1.311 550 F HN 0.792 nan 8.300 nan 0.000 0.453 551 Q N 2.069 121.885 119.800 0.027 0.000 2.406 551 Q HA 0.697 5.037 4.340 -0.000 0.000 0.244 551 Q C -1.977 174.106 176.000 0.138 0.000 0.884 551 Q CA -0.724 55.054 55.803 -0.041 0.000 0.813 551 Q CB 1.995 30.715 28.738 -0.030 0.000 1.368 551 Q HN 1.225 nan 8.270 nan 0.000 0.439 552 A N 2.521 125.430 122.820 0.147 0.000 2.260 552 A HA 0.855 5.175 4.320 -0.000 0.000 0.308 552 A C -0.032 177.668 177.584 0.193 0.000 1.254 552 A CA 0.228 52.403 52.037 0.229 0.000 0.874 552 A CB 1.068 20.098 19.000 0.050 0.000 1.153 552 A HN 0.728 nan 8.150 nan 0.000 0.527 553 G N -0.388 108.549 108.800 0.228 0.000 2.714 553 G HA2 0.653 4.613 3.960 -0.000 0.000 0.292 553 G HA3 0.653 4.613 3.960 -0.000 0.000 0.292 553 G C -1.347 173.569 174.900 0.026 0.000 1.308 553 G CA -0.565 44.581 45.100 0.077 0.000 0.964 553 G HN 1.495 nan 8.290 nan 0.000 0.484 554 V N 0.041 119.844 119.914 -0.186 0.000 2.851 554 V HA 0.764 4.884 4.120 -0.000 0.000 0.307 554 V C -1.469 174.428 176.094 -0.328 0.000 1.129 554 V CA -0.778 61.251 62.300 -0.452 0.000 0.932 554 V CB 1.732 32.991 31.823 -0.940 0.000 1.024 554 V HN 0.785 nan 8.190 nan 0.000 0.426 555 I N 4.566 124.954 120.570 -0.303 0.000 2.686 555 I HA 0.534 4.704 4.170 -0.000 0.000 0.295 555 I C -0.371 175.658 176.117 -0.148 0.000 1.114 555 I CA -0.993 60.176 61.300 -0.218 0.000 1.038 555 I CB 2.039 39.819 38.000 -0.367 0.000 1.238 555 I HN 0.816 nan 8.210 nan 0.000 0.420 556 K N 6.039 126.357 120.400 -0.137 0.000 2.416 556 K HA 0.452 4.772 4.320 -0.000 0.000 0.283 556 K C -0.377 176.128 176.600 -0.158 0.000 1.037 556 K CA -0.046 55.966 56.287 -0.460 0.000 0.995 556 K CB 0.940 33.187 32.500 -0.421 0.000 0.938 556 K HN 0.585 nan 8.250 nan 0.000 0.475 557 A N 5.212 127.893 122.820 -0.233 0.000 2.425 557 A HA 0.465 4.784 4.320 -0.000 0.000 0.249 557 A C 0.004 177.554 177.584 -0.057 0.000 1.084 557 A CA -0.546 51.465 52.037 -0.043 0.000 0.781 557 A CB -0.261 18.708 19.000 -0.052 0.000 1.019 557 A HN 0.856 nan 8.150 nan 0.000 0.490 558 I N -1.370 119.184 120.570 -0.027 0.000 2.892 558 I HA 0.552 4.721 4.170 -0.000 0.000 0.306 558 I C -0.853 175.209 176.117 -0.090 0.000 1.078 558 I CA -1.019 60.209 61.300 -0.120 0.000 1.032 558 I CB 2.207 40.026 38.000 -0.303 0.000 1.229 558 I HN 0.432 nan 8.210 nan 0.000 0.435 559 D N 3.382 123.728 120.400 -0.090 0.000 2.393 559 D HA 0.128 4.768 4.640 -0.000 0.000 0.232 559 D C 0.466 176.714 176.300 -0.086 0.000 1.192 559 D CA 0.090 54.051 54.000 -0.066 0.000 0.882 559 D CB 0.876 41.645 40.800 -0.051 0.000 1.038 559 D HN 0.529 nan 8.370 nan 0.000 0.499 560 D N 2.761 123.117 120.400 -0.074 0.000 2.092 560 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 560 D C 1.116 177.376 176.300 -0.067 0.000 0.994 560 D CA 1.029 54.979 54.000 -0.082 0.000 0.828 560 D CB 0.208 40.981 40.800 -0.045 0.000 0.963 560 D HN 0.533 nan 8.370 nan 0.000 0.450 561 D N 0.297 120.671 120.400 -0.044 0.000 2.123 561 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 561 D C 2.002 178.274 176.300 -0.047 0.000 0.992 561 D CA 1.015 54.993 54.000 -0.037 0.000 0.833 561 D CB -0.183 40.603 40.800 -0.024 0.000 0.954 561 D HN 0.236 nan 8.370 nan 0.000 0.455 562 E N 1.091 121.260 120.200 -0.051 0.000 2.106 562 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 562 E C 1.812 178.370 176.600 -0.071 0.000 0.984 562 E CA 1.206 57.574 56.400 -0.052 0.000 0.806 562 E CB -0.106 29.566 29.700 -0.047 0.000 0.750 562 E HN 0.053 nan 8.360 nan 0.000 0.458 563 E N 0.123 120.266 120.200 -0.095 0.000 2.106 563 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 563 E C 1.932 178.464 176.600 -0.113 0.000 0.984 563 E CA 1.159 57.485 56.400 -0.124 0.000 0.806 563 E CB -0.332 29.259 29.700 -0.183 0.000 0.750 563 E HN 0.450 nan 8.360 nan 0.000 0.458 564 I N 0.019 120.533 120.570 -0.093 0.000 2.113 564 I HA -0.279 3.890 4.170 -0.000 0.000 0.238 564 I C 2.665 178.740 176.117 -0.070 0.000 1.070 564 I CA 1.252 62.504 61.300 -0.080 0.000 1.332 564 I CB -0.304 37.660 38.000 -0.060 0.000 1.044 564 I HN 0.067 nan 8.210 nan 0.000 0.402 565 R N 0.546 121.012 120.500 -0.056 0.000 2.159 565 R HA -0.308 4.031 4.340 -0.000 0.000 0.249 565 R C 2.225 178.496 176.300 -0.049 0.000 1.136 565 R CA 2.561 58.633 56.100 -0.046 0.000 0.951 565 R CB -0.534 29.743 30.300 -0.038 0.000 0.876 565 R HN 0.332 nan 8.270 nan 0.000 0.440 566 N N -0.237 118.428 118.700 -0.058 0.000 2.069 566 N HA -0.155 4.585 4.740 -0.000 0.000 0.191 566 N C 1.484 176.954 175.510 -0.068 0.000 1.031 566 N CA 1.963 54.978 53.050 -0.059 0.000 0.852 566 N CB -0.255 38.189 38.487 -0.072 0.000 1.018 566 N HN 0.319 nan 8.380 nan 0.000 0.423 567 A N 0.232 122.996 122.820 -0.094 0.000 1.902 567 A HA 0.086 4.405 4.320 -0.000 0.000 0.217 567 A C 2.361 179.895 177.584 -0.084 0.000 1.181 567 A CA 1.923 53.894 52.037 -0.111 0.000 0.623 567 A CB -1.216 17.701 19.000 -0.137 0.000 0.818 567 A HN 0.439 nan 8.150 nan 0.000 0.443 568 A N -0.187 122.591 122.820 -0.070 0.000 1.851 568 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 568 A C 1.906 179.471 177.584 -0.032 0.000 1.195 568 A CA 1.987 53.992 52.037 -0.054 0.000 0.622 568 A CB -0.756 18.215 19.000 -0.048 0.000 0.831 568 A HN 0.583 nan 8.150 nan 0.000 0.444 569 E N -0.356 119.829 120.200 -0.025 0.000 2.065 569 E HA -0.226 4.124 4.350 -0.000 0.000 0.201 569 E C 1.985 178.595 176.600 0.018 0.000 1.016 569 E CA 1.737 58.133 56.400 -0.007 0.000 0.818 569 E CB -0.345 29.349 29.700 -0.010 0.000 0.749 569 E HN 0.617 nan 8.360 nan 0.000 0.453 570 L N 0.059 121.293 121.223 0.017 0.000 2.012 570 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 570 L C 2.539 179.488 176.870 0.131 0.000 1.073 570 L CA 1.103 55.990 54.840 0.078 0.000 0.748 570 L CB -0.535 41.535 42.059 0.019 0.000 0.891 570 L HN 0.196 nan 8.230 nan 0.000 0.431 571 A N 0.066 122.897 122.820 0.017 0.000 1.948 571 A HA -0.238 4.081 4.320 -0.000 0.000 0.220 571 A C 2.497 180.116 177.584 0.058 0.000 1.177 571 A CA 1.955 53.995 52.037 0.004 0.000 0.636 571 A CB -0.760 18.209 19.000 -0.052 0.000 0.815 571 A HN 0.435 nan 8.150 nan 0.000 0.449 572 A N -0.594 122.251 122.820 0.041 0.000 2.015 572 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 572 A C 1.904 179.514 177.584 0.043 0.000 1.163 572 A CA 1.462 53.517 52.037 0.029 0.000 0.646 572 A CB -0.296 18.709 19.000 0.008 0.000 0.806 572 A HN 0.507 nan 8.150 nan 0.000 0.448 573 K N -0.437 120.009 120.400 0.076 0.000 2.476 573 K HA 0.110 4.430 4.320 -0.000 0.000 0.196 573 K C -0.673 175.860 176.600 -0.112 0.000 1.025 573 K CA 0.136 56.423 56.287 0.001 0.000 1.138 573 K CB -0.066 32.424 32.500 -0.017 0.000 0.860 573 K HN 0.629 nan 8.250 nan 0.000 0.515 574 H N -0.966 118.098 119.070 -0.009 0.000 2.865 574 H HA 0.117 4.673 4.556 -0.000 0.000 0.372 574 H C 0.252 175.575 175.328 -0.008 0.000 1.173 574 H CA -0.756 55.290 56.048 -0.003 0.000 1.147 574 H CB 1.635 31.398 29.762 0.002 0.000 1.805 574 H HN -0.137 nan 8.280 nan 0.000 0.553 575 D N 1.056 121.523 120.400 0.112 0.000 2.084 575 D HA -0.073 4.567 4.640 -0.000 0.000 0.194 575 D C -0.105 176.223 176.300 0.047 0.000 0.990 575 D CA 1.554 55.587 54.000 0.054 0.000 0.826 575 D CB 0.269 41.091 40.800 0.036 0.000 0.971 575 D HN 0.253 nan 8.370 nan 0.000 0.453 576 K N -0.704 119.733 120.400 0.062 0.000 2.375 576 K HA 0.689 5.009 4.320 -0.000 0.000 0.249 576 K C -1.133 175.462 176.600 -0.009 0.000 0.942 576 K CA -0.567 55.726 56.287 0.011 0.000 0.806 576 K CB 2.988 35.481 32.500 -0.010 0.000 1.227 576 K HN -0.013 nan 8.250 nan 0.000 0.430 577 A N 1.626 124.419 122.820 -0.046 0.000 2.350 577 A HA 0.696 5.016 4.320 -0.000 0.000 0.324 577 A C -1.139 176.402 177.584 -0.072 0.000 1.118 577 A CA -0.698 51.291 52.037 -0.079 0.000 0.783 577 A CB 1.140 20.082 19.000 -0.097 0.000 1.236 577 A HN 0.397 nan 8.150 nan 0.000 0.457 578 V N 3.040 122.921 119.914 -0.055 0.000 2.378 578 V HA 0.399 4.518 4.120 -0.000 0.000 0.288 578 V C -0.927 175.150 176.094 -0.029 0.000 1.016 578 V CA -0.397 61.882 62.300 -0.036 0.000 0.840 578 V CB 1.104 32.930 31.823 0.005 0.000 0.994 578 V HN 0.764 nan 8.190 nan 0.000 0.431 579 L N 7.206 128.394 121.223 -0.059 0.000 2.305 579 L HA 0.655 4.995 4.340 -0.000 0.000 0.284 579 L C -0.655 176.200 176.870 -0.024 0.000 1.013 579 L CA -0.122 54.680 54.840 -0.063 0.000 0.819 579 L CB 1.331 43.309 42.059 -0.136 0.000 1.227 579 L HN 0.409 nan 8.230 nan 0.000 0.417 580 I N 7.038 127.627 120.570 0.032 0.000 2.355 580 I HA 0.477 4.647 4.170 -0.000 0.000 0.288 580 I C 0.112 176.289 176.117 0.099 0.000 0.999 580 I CA -0.399 60.947 61.300 0.075 0.000 1.163 580 I CB 0.871 38.946 38.000 0.124 0.000 1.316 580 I HN 0.653 nan 8.210 nan 0.000 0.454 581 I N 2.027 122.668 120.570 0.118 0.000 3.466 581 I HA 1.075 5.245 4.170 -0.000 0.000 0.311 581 I C 0.217 176.459 176.117 0.209 0.000 1.155 581 I CA -0.743 60.653 61.300 0.160 0.000 0.959 581 I CB 2.485 40.585 38.000 0.166 0.000 1.332 581 I HN 0.665 nan 8.210 nan 0.000 0.483 582 G N 0.663 109.603 108.800 0.234 0.000 2.278 582 G HA2 0.141 4.101 3.960 -0.000 0.000 0.265 582 G HA3 0.141 4.101 3.960 -0.000 0.000 0.265 582 G C -1.409 173.632 174.900 0.236 0.000 1.329 582 G CA -0.557 44.693 45.100 0.249 0.000 1.017 582 G HN 0.724 nan 8.290 nan 0.000 0.472 583 L N 0.413 121.814 121.223 0.295 0.000 2.558 583 L HA 0.785 5.124 4.340 -0.000 0.000 0.260 583 L C 0.435 177.608 176.870 0.506 0.000 1.130 583 L CA -0.677 54.384 54.840 0.368 0.000 1.049 583 L CB 1.731 43.973 42.059 0.306 0.000 1.758 583 L HN 1.063 nan 8.230 nan 0.000 0.555 584 N N -2.450 116.559 118.700 0.514 0.000 3.179 584 N HA 0.172 4.912 4.740 -0.000 0.000 0.250 584 N C 0.015 175.489 175.510 -0.060 0.000 1.507 584 N CA -0.215 52.911 53.050 0.128 0.000 0.883 584 N CB 0.699 39.247 38.487 0.102 0.000 1.435 584 N HN 0.462 nan 8.380 nan 0.000 0.532 585 G N -1.200 107.410 108.800 -0.316 0.000 2.708 585 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.210 585 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.210 585 G C 0.444 175.230 174.900 -0.190 0.000 1.141 585 G CA 0.357 45.249 45.100 -0.347 0.000 0.788 585 G HN 0.674 nan 8.290 nan 0.000 0.531 586 E N -1.133 118.977 120.200 -0.149 0.000 2.251 586 E HA 0.037 4.387 4.350 -0.000 0.000 0.194 586 E C 1.684 178.269 176.600 -0.026 0.000 0.964 586 E CA -0.121 56.190 56.400 -0.147 0.000 0.868 586 E CB 0.075 29.595 29.700 -0.301 0.000 0.828 586 E HN 0.702 nan 8.360 nan 0.000 0.481 587 W N 1.599 122.949 121.300 0.085 0.000 2.518 587 W HA 0.061 4.721 4.660 -0.001 0.000 0.273 587 W C 0.439 177.017 176.519 0.099 0.000 1.247 587 W CA 0.036 57.468 57.345 0.143 0.000 1.288 587 W CB 0.589 30.130 29.460 0.135 0.000 1.107 587 W HN -0.183 nan 8.180 nan 0.000 0.586 588 E N 0.597 120.927 120.200 0.216 0.000 2.267 588 E HA 0.285 4.635 4.350 -0.000 0.000 0.248 588 E C -0.736 175.869 176.600 0.008 0.000 0.899 588 E CA -0.157 56.337 56.400 0.158 0.000 0.764 588 E CB 1.839 31.691 29.700 0.252 0.000 1.227 588 E HN -0.334 nan 8.360 nan 0.000 0.421 589 T N 1.465 116.000 114.554 -0.033 0.000 2.982 589 T HA 0.101 4.451 4.350 -0.000 0.000 0.321 589 T C -1.028 173.670 174.700 -0.003 0.000 1.229 589 T CA -0.763 61.315 62.100 -0.037 0.000 1.044 589 T CB 1.478 70.215 68.868 -0.219 0.000 1.184 589 T HN 0.536 nan 8.240 nan 0.000 0.477 590 E N 2.000 122.299 120.200 0.165 0.000 2.534 590 E HA 0.304 4.654 4.350 -0.000 0.000 0.264 590 E C 1.200 177.816 176.600 0.026 0.000 0.981 590 E CA 1.552 58.022 56.400 0.118 0.000 0.948 590 E CB -0.253 29.554 29.700 0.178 0.000 0.934 590 E HN 1.054 nan 8.360 nan 0.000 0.459 591 G N 2.939 111.780 108.800 0.067 0.000 2.376 591 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.208 591 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.208 591 G C -0.627 174.407 174.900 0.225 0.000 1.032 591 G CA 0.109 45.289 45.100 0.134 0.000 0.641 591 G HN 0.881 nan 8.290 nan 0.000 0.503 592 Y N 0.164 120.543 120.300 0.131 0.000 2.609 592 Y HA 0.766 5.316 4.550 -0.001 0.000 0.336 592 Y C -0.994 175.004 175.900 0.163 0.000 1.129 592 Y CA -1.513 56.661 58.100 0.123 0.000 1.040 592 Y CB 0.565 39.087 38.460 0.104 0.000 1.310 592 Y HN 0.030 nan 8.280 nan 0.000 0.460 593 D N 1.241 121.857 120.400 0.360 0.000 2.388 593 D HA 0.331 4.970 4.640 -0.000 0.000 0.254 593 D C -0.404 176.130 176.300 0.390 0.000 1.111 593 D CA -0.656 53.539 54.000 0.325 0.000 0.993 593 D CB 1.137 42.146 40.800 0.347 0.000 1.118 593 D HN 0.520 nan 8.370 nan 0.000 0.502 594 R N 0.559 121.240 120.500 0.302 0.000 2.694 594 R HA 0.054 4.394 4.340 -0.000 0.000 0.268 594 R C 1.121 177.541 176.300 0.200 0.000 1.061 594 R CA 0.006 56.263 56.100 0.262 0.000 1.133 594 R CB 0.806 31.204 30.300 0.164 0.000 1.020 594 R HN 0.491 nan 8.270 nan 0.000 0.475 595 E N 0.844 121.143 120.200 0.164 0.000 2.230 595 E HA -0.096 4.253 4.350 -0.000 0.000 0.192 595 E C -0.109 176.537 176.600 0.078 0.000 0.987 595 E CA 0.787 57.255 56.400 0.114 0.000 0.841 595 E CB 0.149 29.907 29.700 0.096 0.000 0.783 595 E HN 0.601 nan 8.360 nan 0.000 0.481 596 N N -1.699 117.029 118.700 0.047 0.000 3.243 596 N HA 0.193 4.933 4.740 -0.000 0.000 0.280 596 N C -0.521 174.961 175.510 -0.045 0.000 1.545 596 N CA -0.665 52.391 53.050 0.010 0.000 0.854 596 N CB 0.558 39.044 38.487 -0.002 0.000 1.612 596 N HN -0.200 nan 8.380 nan 0.000 0.577 597 M N -0.125 119.426 119.600 -0.082 0.000 2.475 597 M HA 0.266 4.746 4.480 -0.000 0.000 0.283 597 M C -1.086 175.113 176.300 -0.170 0.000 1.165 597 M CA -0.350 54.862 55.300 -0.147 0.000 0.976 597 M CB 0.056 32.548 32.600 -0.179 0.000 1.428 597 M HN 0.460 nan 8.290 nan 0.000 0.495 598 D N 1.336 121.652 120.400 -0.142 0.000 2.304 598 D HA 0.251 4.890 4.640 -0.000 0.000 0.247 598 D C -0.099 176.100 176.300 -0.170 0.000 1.089 598 D CA -0.021 53.896 54.000 -0.139 0.000 0.910 598 D CB 1.403 42.139 40.800 -0.108 0.000 1.199 598 D HN 0.215 nan 8.370 nan 0.000 0.426 599 L N 2.376 123.537 121.223 -0.104 0.000 2.464 599 L HA 0.218 4.557 4.340 -0.000 0.000 0.264 599 L C -1.937 174.848 176.870 -0.141 0.000 1.199 599 L CA -1.408 53.388 54.840 -0.074 0.000 0.818 599 L CB 0.236 42.363 42.059 0.114 0.000 1.102 599 L HN 0.155 nan 8.230 nan 0.000 0.473 600 P HA 0.295 nan 4.420 nan 0.000 0.281 600 P C -0.616 176.652 177.300 -0.054 0.000 1.249 600 P CA -0.528 62.413 63.100 -0.264 0.000 0.810 600 P CB 1.166 32.656 31.700 -0.349 0.000 1.008 601 K N 0.167 120.549 120.400 -0.030 0.000 1.844 601 K HA -0.242 4.078 4.320 -0.000 0.000 0.160 601 K C 1.154 177.774 176.600 0.034 0.000 1.448 601 K CA 1.090 57.394 56.287 0.028 0.000 0.446 601 K CB -1.153 31.381 32.500 0.056 0.000 0.635 601 K HN 0.400 nan 8.250 nan 0.000 0.848 602 R N 1.241 121.766 120.500 0.042 0.000 2.317 602 R HA 0.083 4.423 4.340 -0.000 0.000 0.208 602 R C 1.596 177.927 176.300 0.051 0.000 0.914 602 R CA 0.919 57.043 56.100 0.039 0.000 1.060 602 R CB -0.142 30.169 30.300 0.019 0.000 1.015 602 R HN 0.540 nan 8.270 nan 0.000 0.498 603 T N 2.131 116.727 114.554 0.070 0.000 2.594 603 T HA -0.219 4.131 4.350 -0.000 0.000 0.266 603 T C 1.548 176.326 174.700 0.129 0.000 1.070 603 T CA 1.955 64.114 62.100 0.098 0.000 1.166 603 T CB -0.184 68.766 68.868 0.138 0.000 0.862 603 T HN 0.287 nan 8.240 nan 0.000 0.436 604 N N 0.582 119.401 118.700 0.198 0.000 2.205 604 N HA -0.077 4.663 4.740 -0.000 0.000 0.186 604 N C 1.928 177.544 175.510 0.177 0.000 1.015 604 N CA 0.959 54.200 53.050 0.318 0.000 0.862 604 N CB -0.267 38.415 38.487 0.325 0.000 0.986 604 N HN 0.580 nan 8.380 nan 0.000 0.429 605 E N 0.109 120.364 120.200 0.092 0.000 2.072 605 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 605 E C 1.869 178.460 176.600 -0.016 0.000 0.982 605 E CA 0.221 56.645 56.400 0.040 0.000 0.803 605 E CB -0.012 29.704 29.700 0.028 0.000 0.755 605 E HN 0.080 nan 8.360 nan 0.000 0.453 606 L N 0.732 121.939 121.223 -0.027 0.000 2.013 606 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 606 L C 2.159 178.948 176.870 -0.134 0.000 1.073 606 L CA 1.614 56.411 54.840 -0.072 0.000 0.753 606 L CB -0.623 41.399 42.059 -0.062 0.000 0.890 606 L HN -0.025 nan 8.230 nan 0.000 0.432 607 V N -0.170 119.626 119.914 -0.197 0.000 2.307 607 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 607 V C 2.736 178.607 176.094 -0.371 0.000 1.045 607 V CA 2.031 64.064 62.300 -0.445 0.000 1.024 607 V CB -0.642 30.619 31.823 -0.936 0.000 0.651 607 V HN 0.453 nan 8.190 nan 0.000 0.449 608 R N 0.037 120.410 120.500 -0.211 0.000 2.094 608 R HA -0.235 4.105 4.340 -0.000 0.000 0.239 608 R C 2.452 178.702 176.300 -0.083 0.000 1.137 608 R CA 1.807 57.857 56.100 -0.084 0.000 0.943 608 R CB -0.756 29.563 30.300 0.031 0.000 0.850 608 R HN 0.546 nan 8.270 nan 0.000 0.433 609 A N 0.455 123.230 122.820 -0.076 0.000 1.883 609 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 609 A C 2.378 179.911 177.584 -0.085 0.000 1.186 609 A CA 1.780 53.777 52.037 -0.066 0.000 0.624 609 A CB -0.642 18.322 19.000 -0.060 0.000 0.822 609 A HN 0.164 nan 8.150 nan 0.000 0.444 610 V N 0.096 119.937 119.914 -0.122 0.000 2.295 610 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 610 V C 2.556 178.577 176.094 -0.121 0.000 1.049 610 V CA 1.909 64.133 62.300 -0.127 0.000 1.024 610 V CB -0.777 30.952 31.823 -0.157 0.000 0.648 610 V HN 0.567 nan 8.190 nan 0.000 0.447 611 L N -0.286 120.847 121.223 -0.150 0.000 2.083 611 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 611 L C 2.579 179.409 176.870 -0.066 0.000 1.083 611 L CA 1.749 56.519 54.840 -0.117 0.000 0.752 611 L CB -0.621 41.358 42.059 -0.134 0.000 0.899 611 L HN 0.314 nan 8.230 nan 0.000 0.433 612 K N 0.326 120.693 120.400 -0.055 0.000 2.097 612 K HA -0.178 4.141 4.320 -0.000 0.000 0.206 612 K C 2.060 178.641 176.600 -0.032 0.000 1.049 612 K CA 1.430 57.697 56.287 -0.033 0.000 0.933 612 K CB -0.028 32.457 32.500 -0.025 0.000 0.717 612 K HN 0.293 nan 8.250 nan 0.000 0.442 613 A N 0.391 123.187 122.820 -0.040 0.000 2.021 613 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 613 A C 0.665 178.234 177.584 -0.026 0.000 1.163 613 A CA 0.637 52.656 52.037 -0.031 0.000 0.676 613 A CB 0.096 19.076 19.000 -0.033 0.000 0.818 613 A HN 0.315 nan 8.150 nan 0.000 0.453 614 N N -1.254 117.424 118.700 -0.037 0.000 2.629 614 N HA 0.268 5.008 4.740 -0.000 0.000 0.277 614 N C -2.924 172.560 175.510 -0.044 0.000 1.188 614 N CA -1.232 51.799 53.050 -0.031 0.000 0.835 614 N CB 1.614 40.086 38.487 -0.025 0.000 1.420 614 N HN -0.216 nan 8.380 nan 0.000 0.542 615 P HA 0.075 nan 4.420 nan 0.000 0.226 615 P C -0.020 177.256 177.300 -0.040 0.000 1.153 615 P CA 0.804 63.883 63.100 -0.035 0.000 0.777 615 P CB 0.289 31.976 31.700 -0.022 0.000 0.794 616 N N -0.745 117.931 118.700 -0.039 0.000 2.758 616 N HA 0.077 4.817 4.740 -0.000 0.000 0.293 616 N C -0.465 175.011 175.510 -0.058 0.000 1.273 616 N CA 0.328 53.352 53.050 -0.044 0.000 1.022 616 N CB -0.448 38.019 38.487 -0.034 0.000 1.334 616 N HN -0.029 nan 8.380 nan 0.000 0.519 617 T N 0.128 114.637 114.554 -0.075 0.000 2.771 617 T HA 0.178 4.528 4.350 -0.000 0.000 0.291 617 T C 0.171 174.807 174.700 -0.107 0.000 0.954 617 T CA -0.355 61.687 62.100 -0.096 0.000 1.045 617 T CB 1.875 70.668 68.868 -0.125 0.000 0.917 617 T HN -0.043 nan 8.240 nan 0.000 0.484 618 V N 6.484 126.337 119.914 -0.102 0.000 2.461 618 V HA 0.498 4.618 4.120 -0.000 0.000 0.275 618 V C -0.351 175.671 176.094 -0.120 0.000 1.047 618 V CA -0.543 61.694 62.300 -0.106 0.000 0.955 618 V CB 0.079 31.843 31.823 -0.099 0.000 0.988 618 V HN 0.773 nan 8.190 nan 0.000 0.471 619 I N 7.124 127.607 120.570 -0.144 0.000 2.321 619 I HA 0.429 4.598 4.170 -0.000 0.000 0.291 619 I C -0.545 175.494 176.117 -0.130 0.000 0.998 619 I CA -0.661 60.541 61.300 -0.163 0.000 1.227 619 I CB 1.766 39.619 38.000 -0.245 0.000 1.368 619 I HN 0.334 nan 8.210 nan 0.000 0.466 620 V N 5.558 125.426 119.914 -0.077 0.000 2.448 620 V HA 0.364 4.484 4.120 -0.000 0.000 0.295 620 V C -0.383 175.708 176.094 -0.004 0.000 1.025 620 V CA -0.689 61.580 62.300 -0.052 0.000 0.859 620 V CB 1.826 33.643 31.823 -0.010 0.000 0.988 620 V HN 0.739 nan 8.190 nan 0.000 0.431 621 N N 3.381 122.072 118.700 -0.015 0.000 2.314 621 N HA 0.466 5.206 4.740 -0.000 0.000 0.294 621 N C -0.989 174.550 175.510 0.049 0.000 1.029 621 N CA -0.507 52.593 53.050 0.082 0.000 0.845 621 N CB 1.915 40.518 38.487 0.193 0.000 1.321 621 N HN 0.706 nan 8.380 nan 0.000 0.481 622 Q N 1.697 121.572 119.800 0.125 0.000 2.341 622 Q HA 0.532 4.871 4.340 -0.000 0.000 0.268 622 Q C -1.339 174.714 176.000 0.088 0.000 1.013 622 Q CA -0.693 55.177 55.803 0.113 0.000 0.798 622 Q CB 1.493 30.387 28.738 0.261 0.000 1.253 622 Q HN 0.768 nan 8.270 nan 0.000 0.457 623 S N -0.586 115.006 115.700 -0.181 0.000 2.567 623 S HA 0.513 4.983 4.470 -0.000 0.000 0.270 623 S C 0.325 174.733 174.600 -0.320 0.000 1.152 623 S CA -0.468 57.600 58.200 -0.220 0.000 0.835 623 S CB 0.920 64.159 63.200 0.066 0.000 1.115 623 S HN 0.565 nan 8.310 nan 0.000 0.459 624 G N 0.392 109.111 108.800 -0.134 0.000 2.683 624 G HA2 0.424 4.384 3.960 -0.000 0.000 0.213 624 G HA3 0.424 4.384 3.960 -0.000 0.000 0.213 624 G C 0.506 175.627 174.900 0.368 0.000 1.142 624 G CA 0.829 46.071 45.100 0.237 0.000 0.793 624 G HN 1.446 nan 8.290 nan 0.000 0.534 625 T N -3.331 111.331 114.554 0.180 0.000 2.787 625 T HA 0.573 4.922 4.350 -0.000 0.000 0.297 625 T C -3.480 170.996 174.700 -0.373 0.000 1.221 625 T CA -1.732 60.371 62.100 0.005 0.000 1.006 625 T CB 2.299 71.171 68.868 0.007 0.000 1.328 625 T HN -0.223 nan 8.240 nan 0.000 0.509 626 P HA 0.405 nan 4.420 nan 0.000 0.271 626 P C -0.632 176.141 177.300 -0.879 0.000 1.216 626 P CA -0.431 61.714 63.100 -1.592 0.000 0.776 626 P CB 0.595 31.410 31.700 -1.474 0.000 0.881 627 V N -0.598 118.861 119.914 -0.759 0.000 2.914 627 V HA 0.508 4.627 4.120 -0.000 0.000 0.314 627 V C -0.227 175.507 176.094 -0.600 0.000 1.084 627 V CA -1.239 60.767 62.300 -0.491 0.000 0.963 627 V CB 1.899 33.539 31.823 -0.304 0.000 1.025 627 V HN 0.439 nan 8.190 nan 0.000 0.432 628 E N 1.774 121.712 120.200 -0.437 0.000 2.324 628 E HA 0.290 4.640 4.350 -0.000 0.000 0.271 628 E C -1.446 174.835 176.600 -0.531 0.000 1.028 628 E CA -0.434 55.737 56.400 -0.380 0.000 0.890 628 E CB 0.541 30.111 29.700 -0.217 0.000 1.004 628 E HN 0.610 nan 8.360 nan 0.000 0.431 629 F N 7.324 127.099 119.950 -0.291 0.000 2.318 629 F HA 0.273 4.800 4.527 -0.000 0.000 0.356 629 F C -1.625 173.603 175.800 -0.954 0.000 1.109 629 F CA -2.616 54.811 58.000 -0.955 0.000 1.234 629 F CB 1.067 39.416 39.000 -1.083 0.000 1.545 629 F HN 0.477 nan 8.300 nan 0.000 0.534 630 P HA -0.148 nan 4.420 nan 0.000 0.222 630 P C 1.161 178.357 177.300 -0.173 0.000 1.147 630 P CA 1.298 64.228 63.100 -0.283 0.000 0.790 630 P CB -0.054 31.564 31.700 -0.136 0.000 0.780 631 W N -1.675 119.706 121.300 0.135 0.000 3.316 631 W HA 0.311 4.971 4.660 -0.000 0.000 0.327 631 W C 1.013 177.579 176.519 0.078 0.000 1.232 631 W CA -0.660 56.734 57.345 0.081 0.000 1.805 631 W CB -1.130 28.367 29.460 0.060 0.000 1.090 631 W HN -0.167 nan 8.180 nan 0.000 0.654 632 L N 2.489 123.797 121.223 0.142 0.000 2.085 632 L HA -0.302 4.038 4.340 -0.000 0.000 0.218 632 L C 2.453 179.456 176.870 0.222 0.000 1.080 632 L CA 2.452 57.411 54.840 0.200 0.000 0.776 632 L CB -0.908 41.207 42.059 0.094 0.000 0.891 632 L HN -0.033 nan 8.230 nan 0.000 0.437 633 E N -0.816 119.476 120.200 0.154 0.000 2.204 633 E HA -0.194 4.155 4.350 -0.000 0.000 0.195 633 E C 1.390 178.056 176.600 0.111 0.000 0.990 633 E CA 1.398 57.860 56.400 0.104 0.000 0.821 633 E CB -0.039 29.696 29.700 0.058 0.000 0.750 633 E HN 0.597 nan 8.360 nan 0.000 0.477 634 D N -0.730 119.762 120.400 0.154 0.000 2.349 634 D HA 0.113 4.753 4.640 -0.000 0.000 0.214 634 D C -0.406 175.949 176.300 0.092 0.000 1.063 634 D CA 0.232 54.297 54.000 0.108 0.000 0.847 634 D CB 0.508 41.369 40.800 0.102 0.000 0.933 634 D HN 0.104 nan 8.370 nan 0.000 0.513 635 A N 0.782 123.693 122.820 0.152 0.000 2.260 635 A HA 0.291 4.610 4.320 -0.000 0.000 0.312 635 A C 0.727 178.344 177.584 0.055 0.000 1.321 635 A CA -0.476 51.615 52.037 0.089 0.000 0.928 635 A CB 0.044 19.170 19.000 0.210 0.000 1.158 635 A HN 0.010 nan 8.150 nan 0.000 0.542 636 N N 1.123 119.826 118.700 0.005 0.000 2.424 636 N HA 0.278 5.017 4.740 -0.000 0.000 0.178 636 N C 0.184 175.688 175.510 -0.009 0.000 1.060 636 N CA 0.681 53.733 53.050 0.004 0.000 0.901 636 N CB 0.354 38.836 38.487 -0.009 0.000 0.979 636 N HN 0.726 nan 8.380 nan 0.000 0.451 637 A N 1.055 123.853 122.820 -0.036 0.000 2.437 637 A HA 0.611 4.931 4.320 -0.000 0.000 0.293 637 A C -1.884 175.644 177.584 -0.093 0.000 1.038 637 A CA -0.428 51.576 52.037 -0.055 0.000 0.708 637 A CB 1.239 20.200 19.000 -0.065 0.000 1.251 637 A HN 0.075 nan 8.150 nan 0.000 0.409 638 L N 2.807 123.958 121.223 -0.121 0.000 2.505 638 L HA 0.776 5.115 4.340 -0.000 0.000 0.266 638 L C -1.745 174.977 176.870 -0.247 0.000 0.954 638 L CA -0.316 54.404 54.840 -0.201 0.000 0.852 638 L CB 2.141 44.059 42.059 -0.235 0.000 1.282 638 L HN 0.514 nan 8.230 nan 0.000 0.403 639 V N 3.987 123.755 119.914 -0.243 0.000 2.588 639 V HA 0.518 4.638 4.120 -0.000 0.000 0.304 639 V C -0.653 175.272 176.094 -0.281 0.000 1.042 639 V CA -0.542 61.620 62.300 -0.230 0.000 0.877 639 V CB 1.797 33.538 31.823 -0.136 0.000 0.996 639 V HN 0.805 nan 8.190 nan 0.000 0.425 640 Q N 3.485 123.063 119.800 -0.371 0.000 2.465 640 Q HA 0.583 4.923 4.340 -0.000 0.000 0.237 640 Q C 0.708 176.428 176.000 -0.467 0.000 1.051 640 Q CA 0.351 55.854 55.803 -0.499 0.000 0.874 640 Q CB 1.317 29.582 28.738 -0.788 0.000 1.207 640 Q HN 0.878 nan 8.270 nan 0.000 0.508 641 A N 4.213 126.874 122.820 -0.264 0.000 1.930 641 A HA 0.063 4.383 4.320 -0.000 0.000 0.217 641 A C -0.141 177.500 177.584 0.094 0.000 1.175 641 A CA 1.180 53.183 52.037 -0.057 0.000 0.627 641 A CB -0.755 18.264 19.000 0.031 0.000 0.815 641 A HN 0.955 nan 8.150 nan 0.000 0.443 642 W N -4.352 116.960 121.300 0.021 0.000 3.344 642 W HA -0.221 4.438 4.660 -0.001 0.000 0.320 642 W C -0.658 175.817 176.519 -0.073 0.000 0.081 642 W CA 0.178 57.480 57.345 -0.072 0.000 0.455 642 W CB -1.376 28.092 29.460 0.013 0.000 2.258 642 W HN 0.240 nan 8.180 nan 0.000 0.425 643 Y N 1.497 122.042 120.300 0.409 0.000 2.342 643 Y HA 0.522 5.072 4.550 -0.001 0.000 0.338 643 Y C 1.054 177.078 175.900 0.207 0.000 0.965 643 Y CA -0.954 57.286 58.100 0.233 0.000 1.159 643 Y CB 0.872 39.424 38.460 0.154 0.000 1.157 643 Y HN 0.514 nan 8.280 nan 0.000 0.486 644 G N 1.329 110.318 108.800 0.316 0.000 3.042 644 G HA2 0.402 4.361 3.960 -0.000 0.000 0.212 644 G HA3 0.402 4.361 3.960 -0.000 0.000 0.212 644 G C 0.883 175.870 174.900 0.144 0.000 1.166 644 G CA 0.309 45.541 45.100 0.221 0.000 0.767 644 G HN 1.114 nan 8.290 nan 0.000 0.546 645 G N 0.704 109.578 108.800 0.124 0.000 2.598 645 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.244 645 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.244 645 G C 0.789 175.672 174.900 -0.027 0.000 1.302 645 G CA 0.173 45.290 45.100 0.029 0.000 0.903 645 G HN 0.218 nan 8.290 nan 0.000 0.575 646 N N 0.898 119.519 118.700 -0.130 0.000 2.223 646 N HA 0.004 4.743 4.740 -0.000 0.000 0.185 646 N C 1.615 177.113 175.510 -0.019 0.000 1.016 646 N CA 1.618 54.541 53.050 -0.213 0.000 0.863 646 N CB 0.009 38.197 38.487 -0.498 0.000 0.983 646 N HN 0.542 nan 8.380 nan 0.000 0.429 647 E N 0.413 120.636 120.200 0.038 0.000 2.496 647 E HA 0.073 4.423 4.350 -0.000 0.000 0.200 647 E C 1.423 178.089 176.600 0.110 0.000 1.016 647 E CA -0.178 56.297 56.400 0.125 0.000 0.962 647 E CB 0.128 29.890 29.700 0.103 0.000 1.071 647 E HN 0.344 nan 8.360 nan 0.000 0.457 648 L N -1.879 119.408 121.223 0.107 0.000 2.042 648 L HA 0.008 4.347 4.340 -0.000 0.000 0.210 648 L C 1.978 178.922 176.870 0.123 0.000 1.076 648 L CA 2.425 57.339 54.840 0.124 0.000 0.749 648 L CB -1.250 40.896 42.059 0.144 0.000 0.893 648 L HN 0.038 nan 8.230 nan 0.000 0.432 649 G N -0.400 108.473 108.800 0.122 0.000 2.394 649 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.215 649 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.215 649 G C 1.413 176.370 174.900 0.096 0.000 1.165 649 G CA 0.703 45.870 45.100 0.112 0.000 0.784 649 G HN 0.467 nan 8.290 nan 0.000 0.535 650 N N 1.385 120.140 118.700 0.091 0.000 2.120 650 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 650 N C 2.492 178.052 175.510 0.083 0.000 1.024 650 N CA 1.306 54.399 53.050 0.073 0.000 0.852 650 N CB -0.469 38.056 38.487 0.064 0.000 1.003 650 N HN 0.303 nan 8.380 nan 0.000 0.424 651 A N 1.144 124.018 122.820 0.091 0.000 1.933 651 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 651 A C 2.348 179.989 177.584 0.095 0.000 1.175 651 A CA 0.821 52.913 52.037 0.091 0.000 0.628 651 A CB -0.583 18.475 19.000 0.097 0.000 0.814 651 A HN 0.201 nan 8.150 nan 0.000 0.444 652 I N -0.288 120.343 120.570 0.102 0.000 2.179 652 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 652 I C 3.008 179.197 176.117 0.121 0.000 1.088 652 I CA 0.998 62.358 61.300 0.099 0.000 1.357 652 I CB -0.390 37.670 38.000 0.100 0.000 1.051 652 I HN 0.357 nan 8.210 nan 0.000 0.409 653 A N 0.711 123.614 122.820 0.139 0.000 1.892 653 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 653 A C 1.962 179.692 177.584 0.243 0.000 1.188 653 A CA 2.360 54.524 52.037 0.211 0.000 0.631 653 A CB -0.772 18.296 19.000 0.114 0.000 0.822 653 A HN 0.365 nan 8.150 nan 0.000 0.447 654 D N -0.463 120.028 120.400 0.152 0.000 2.133 654 D HA -0.128 4.512 4.640 -0.000 0.000 0.195 654 D C 2.034 178.426 176.300 0.154 0.000 0.997 654 D CA 1.578 55.663 54.000 0.142 0.000 0.840 654 D CB -0.475 40.383 40.800 0.097 0.000 0.947 654 D HN 0.229 nan 8.370 nan 0.000 0.452 655 V N 0.725 120.708 119.914 0.114 0.000 2.323 655 V HA -0.159 3.961 4.120 -0.000 0.000 0.244 655 V C 2.624 178.795 176.094 0.128 0.000 1.041 655 V CA 0.912 63.257 62.300 0.075 0.000 1.025 655 V CB -0.357 31.474 31.823 0.014 0.000 0.656 655 V HN 0.203 nan 8.190 nan 0.000 0.451 656 L N -1.377 119.899 121.223 0.088 0.000 2.127 656 L HA -0.203 4.137 4.340 -0.000 0.000 0.211 656 L C 2.190 178.922 176.870 -0.229 0.000 1.089 656 L CA 1.847 56.650 54.840 -0.060 0.000 0.757 656 L CB -0.415 41.568 42.059 -0.127 0.000 0.899 656 L HN 0.386 nan 8.230 nan 0.000 0.434 657 Y N -0.939 119.405 120.300 0.072 0.000 2.449 657 Y HA 0.246 4.796 4.550 -0.000 0.000 0.254 657 Y C 1.698 177.658 175.900 0.100 0.000 1.140 657 Y CA 0.384 58.519 58.100 0.058 0.000 1.272 657 Y CB 0.508 38.997 38.460 0.048 0.000 1.114 657 Y HN 0.203 nan 8.280 nan 0.000 0.525 658 G N 0.221 109.177 108.800 0.260 0.000 2.137 658 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.237 658 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.237 658 G C 0.626 175.685 174.900 0.264 0.000 1.002 658 G CA 0.554 45.825 45.100 0.286 0.000 0.702 658 G HN 0.368 nan 8.290 nan 0.000 0.515 659 D N -0.674 119.857 120.400 0.219 0.000 2.224 659 D HA 0.071 4.711 4.640 -0.000 0.000 0.205 659 D C 1.222 177.607 176.300 0.141 0.000 0.965 659 D CA 1.008 55.110 54.000 0.170 0.000 0.852 659 D CB 0.479 41.356 40.800 0.129 0.000 0.947 659 D HN 0.372 nan 8.370 nan 0.000 0.494 660 V N 1.527 121.512 119.914 0.119 0.000 2.459 660 V HA 0.192 4.312 4.120 -0.000 0.000 0.295 660 V C 0.139 176.242 176.094 0.014 0.000 1.029 660 V CA -0.801 61.545 62.300 0.077 0.000 0.874 660 V CB 2.600 34.456 31.823 0.056 0.000 0.985 660 V HN -0.245 nan 8.190 nan 0.000 0.438 661 V N 7.693 127.595 119.914 -0.020 0.000 2.432 661 V HA 0.261 4.381 4.120 -0.000 0.000 0.271 661 V C -2.026 173.900 176.094 -0.279 0.000 1.046 661 V CA -1.802 60.365 62.300 -0.221 0.000 0.945 661 V CB 1.272 33.036 31.823 -0.099 0.000 0.992 661 V HN 0.762 nan 8.190 nan 0.000 0.471 662 P HA 0.025 nan 4.420 nan 0.000 0.261 662 P C -0.129 177.032 177.300 -0.231 0.000 1.173 662 P CA 0.410 63.309 63.100 -0.334 0.000 0.760 662 P CB 0.200 31.630 31.700 -0.451 0.000 0.783 663 N N 0.556 119.175 118.700 -0.134 0.000 2.081 663 N HA 0.175 4.915 4.740 -0.000 0.000 0.230 663 N C 0.477 175.934 175.510 -0.089 0.000 1.351 663 N CA -0.600 52.384 53.050 -0.111 0.000 0.840 663 N CB 0.204 38.658 38.487 -0.054 0.000 1.189 663 N HN 0.363 nan 8.380 nan 0.000 0.503 664 G N 0.358 109.125 108.800 -0.055 0.000 2.476 664 G HA2 0.524 4.484 3.960 -0.000 0.000 0.286 664 G HA3 0.524 4.484 3.960 -0.000 0.000 0.286 664 G C -0.575 174.289 174.900 -0.060 0.000 1.177 664 G CA -0.379 44.728 45.100 0.011 0.000 0.870 664 G HN 0.001 nan 8.290 nan 0.000 0.528 665 K N 0.672 121.049 120.400 -0.038 0.000 2.371 665 K HA 0.342 4.662 4.320 -0.000 0.000 0.251 665 K C -0.167 176.498 176.600 0.108 0.000 0.934 665 K CA -0.847 55.345 56.287 -0.159 0.000 0.798 665 K CB 2.476 34.563 32.500 -0.688 0.000 1.204 665 K HN 0.357 nan 8.250 nan 0.000 0.427 666 L N 2.150 123.443 121.223 0.117 0.000 2.559 666 L HA -0.065 4.275 4.340 -0.000 0.000 0.274 666 L C 1.407 178.416 176.870 0.230 0.000 1.205 666 L CA 0.237 55.259 54.840 0.304 0.000 0.907 666 L CB 0.197 42.455 42.059 0.331 0.000 1.153 666 L HN 0.774 nan 8.230 nan 0.000 0.490 667 S N 3.804 119.702 115.700 0.329 0.000 2.593 667 S HA 0.284 4.753 4.470 -0.000 0.000 0.217 667 S C 0.253 175.154 174.600 0.501 0.000 0.966 667 S CA -0.253 58.105 58.200 0.263 0.000 0.914 667 S CB -0.045 63.190 63.200 0.058 0.000 0.776 667 S HN 0.474 nan 8.310 nan 0.000 0.523 668 L N 0.842 122.390 121.223 0.542 0.000 2.409 668 L HA 0.480 4.820 4.340 -0.000 0.000 0.262 668 L C -0.441 176.764 176.870 0.559 0.000 0.992 668 L CA -0.815 54.349 54.840 0.540 0.000 0.817 668 L CB 2.211 44.520 42.059 0.417 0.000 1.350 668 L HN -0.067 nan 8.230 nan 0.000 0.411 669 S N 0.776 116.785 115.700 0.514 0.000 2.562 669 S HA 0.130 4.600 4.470 -0.000 0.000 0.281 669 S C -0.853 173.922 174.600 0.291 0.000 1.333 669 S CA -0.160 58.288 58.200 0.413 0.000 1.052 669 S CB 0.486 63.972 63.200 0.477 0.000 0.884 669 S HN 0.489 nan 8.310 nan 0.000 0.506 670 W N 6.172 127.478 121.300 0.010 0.000 2.433 670 W HA 0.276 4.935 4.660 -0.000 0.000 0.288 670 W C -2.920 173.434 176.519 -0.275 0.000 0.986 670 W CA -2.446 54.868 57.345 -0.053 0.000 1.680 670 W CB 0.887 30.403 29.460 0.094 0.000 1.615 670 W HN 0.488 nan 8.180 nan 0.000 0.416 671 P HA -0.011 nan 4.420 nan 0.000 0.272 671 P C 0.913 178.057 177.300 -0.261 0.000 1.230 671 P CA 0.166 63.066 63.100 -0.333 0.000 0.788 671 P CB 1.010 32.604 31.700 -0.176 0.000 0.949 672 F N 0.283 120.158 119.950 -0.126 0.000 2.102 672 F HA -0.062 4.464 4.527 -0.001 0.000 0.298 672 F C 1.593 177.315 175.800 -0.131 0.000 1.105 672 F CA 1.868 59.799 58.000 -0.114 0.000 1.239 672 F CB -0.289 38.636 39.000 -0.125 0.000 0.991 672 F HN 0.215 nan 8.300 nan 0.000 0.474 673 K N -0.813 119.620 120.400 0.054 0.000 2.508 673 K HA 0.246 4.566 4.320 -0.000 0.000 0.260 673 K C 0.204 176.744 176.600 -0.100 0.000 0.949 673 K CA -0.812 55.449 56.287 -0.043 0.000 0.834 673 K CB 2.600 35.069 32.500 -0.052 0.000 1.365 673 K HN -0.215 nan 8.250 nan 0.000 0.437 674 L N 2.449 123.592 121.223 -0.134 0.000 2.051 674 L HA -0.266 4.073 4.340 -0.000 0.000 0.214 674 L C 1.686 178.379 176.870 -0.296 0.000 1.076 674 L CA 2.155 56.913 54.840 -0.137 0.000 0.758 674 L CB -0.324 41.701 42.059 -0.057 0.000 0.890 674 L HN 0.657 nan 8.230 nan 0.000 0.433 675 Q N -0.664 118.790 119.800 -0.577 0.000 2.439 675 Q HA -0.161 4.179 4.340 -0.000 0.000 0.211 675 Q C 1.493 177.230 176.000 -0.438 0.000 0.978 675 Q CA 1.357 56.526 55.803 -1.057 0.000 0.897 675 Q CB -0.282 27.988 28.738 -0.781 0.000 0.956 675 Q HN 0.545 nan 8.270 nan 0.000 0.483 676 D N 0.155 120.471 120.400 -0.140 0.000 2.347 676 D HA -0.039 4.600 4.640 -0.000 0.000 0.213 676 D C 0.060 176.521 176.300 0.268 0.000 0.985 676 D CA 0.315 54.379 54.000 0.107 0.000 0.879 676 D CB -0.272 40.631 40.800 0.172 0.000 0.919 676 D HN 0.420 nan 8.370 nan 0.000 0.526 677 N N 0.655 119.429 118.700 0.123 0.000 2.515 677 N HA 0.101 4.841 4.740 -0.000 0.000 0.279 677 N C -1.866 173.548 175.510 -0.161 0.000 1.164 677 N CA -1.173 51.934 53.050 0.095 0.000 0.982 677 N CB 1.587 40.108 38.487 0.057 0.000 1.170 677 N HN -0.280 nan 8.380 nan 0.000 0.474 678 P HA -0.045 nan 4.420 nan 0.000 0.222 678 P C 0.285 177.369 177.300 -0.359 0.000 1.153 678 P CA 0.999 63.493 63.100 -1.009 0.000 0.798 678 P CB -0.009 30.783 31.700 -1.513 0.000 0.796 679 A N -1.325 121.388 122.820 -0.178 0.000 2.411 679 A HA 0.119 4.439 4.320 -0.000 0.000 0.251 679 A C 1.426 179.056 177.584 0.078 0.000 1.317 679 A CA -0.525 51.503 52.037 -0.016 0.000 0.904 679 A CB -1.633 17.424 19.000 0.096 0.000 0.993 679 A HN 0.003 nan 8.150 nan 0.000 0.504 680 F N 0.462 120.367 119.950 -0.075 0.000 2.095 680 F HA -0.176 4.351 4.527 -0.001 0.000 0.298 680 F C 1.533 177.345 175.800 0.020 0.000 1.104 680 F CA 1.949 59.931 58.000 -0.029 0.000 1.232 680 F CB -0.104 38.885 39.000 -0.019 0.000 0.987 680 F HN 0.255 nan 8.300 nan 0.000 0.475 681 L N -0.347 120.788 121.223 -0.146 0.000 2.375 681 L HA -0.008 4.331 4.340 -0.000 0.000 0.215 681 L C -0.123 176.670 176.870 -0.127 0.000 1.108 681 L CA 0.588 55.279 54.840 -0.248 0.000 0.830 681 L CB -0.481 41.531 42.059 -0.078 0.000 0.959 681 L HN 0.167 nan 8.230 nan 0.000 0.457 682 N N -0.661 118.018 118.700 -0.035 0.000 2.818 682 N HA 0.157 4.897 4.740 -0.000 0.000 0.301 682 N C -0.618 174.912 175.510 0.034 0.000 1.821 682 N CA -0.152 52.891 53.050 -0.011 0.000 0.930 682 N CB 0.206 38.696 38.487 0.004 0.000 1.263 682 N HN -0.011 nan 8.380 nan 0.000 0.487 683 F N 0.823 120.706 119.950 -0.112 0.000 2.739 683 F HA 0.468 4.995 4.527 -0.001 0.000 0.345 683 F C -0.373 175.390 175.800 -0.063 0.000 1.373 683 F CA -0.557 57.393 58.000 -0.084 0.000 1.160 683 F CB 0.366 39.326 39.000 -0.067 0.000 1.137 683 F HN -0.083 nan 8.300 nan 0.000 0.524 684 K N 0.104 120.423 120.400 -0.135 0.000 2.557 684 K HA 0.343 4.663 4.320 -0.000 0.000 0.257 684 K C -0.804 175.712 176.600 -0.140 0.000 0.933 684 K CA -0.471 55.750 56.287 -0.111 0.000 0.820 684 K CB 1.814 34.263 32.500 -0.084 0.000 1.330 684 K HN -0.054 nan 8.250 nan 0.000 0.432 685 T N 3.626 118.100 114.554 -0.132 0.000 2.738 685 T HA 0.200 4.549 4.350 -0.000 0.000 0.294 685 T C -0.877 173.723 174.700 -0.167 0.000 0.914 685 T CA -0.271 61.756 62.100 -0.123 0.000 1.052 685 T CB 0.009 68.820 68.868 -0.096 0.000 0.897 685 T HN 0.365 nan 8.240 nan 0.000 0.522 686 E N 2.587 122.667 120.200 -0.201 0.000 2.187 686 E HA 0.396 4.746 4.350 -0.000 0.000 0.268 686 E C -0.490 175.896 176.600 -0.356 0.000 0.896 686 E CA -1.164 54.964 56.400 -0.453 0.000 0.766 686 E CB 1.089 30.456 29.700 -0.556 0.000 1.142 686 E HN 0.524 nan 8.360 nan 0.000 0.408 687 F N 1.804 121.734 119.950 -0.032 0.000 3.093 687 F HA -0.226 4.301 4.527 -0.000 0.000 0.287 687 F C 1.279 177.053 175.800 -0.045 0.000 0.882 687 F CA 0.994 58.973 58.000 -0.034 0.000 1.063 687 F CB -2.257 36.724 39.000 -0.033 0.000 1.097 687 F HN 0.980 nan 8.300 nan 0.000 0.604 688 G N -0.479 108.330 108.800 0.014 0.000 2.155 688 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.257 688 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.257 688 G C 0.147 175.027 174.900 -0.033 0.000 0.983 688 G CA 0.570 45.660 45.100 -0.015 0.000 0.676 688 G HN 0.963 nan 8.290 nan 0.000 0.528 689 R N -1.606 118.885 120.500 -0.015 0.000 2.837 689 R HA 0.817 5.157 4.340 -0.000 0.000 0.271 689 R C -0.999 175.285 176.300 -0.026 0.000 0.993 689 R CA -1.224 54.861 56.100 -0.026 0.000 0.931 689 R CB 1.658 31.958 30.300 -0.000 0.000 1.206 689 R HN 0.421 nan 8.270 nan 0.000 0.474 690 V N 2.977 122.879 119.914 -0.020 0.000 2.447 690 V HA 0.413 4.533 4.120 -0.000 0.000 0.292 690 V C -0.360 175.799 176.094 0.108 0.000 1.021 690 V CA -0.666 61.648 62.300 0.023 0.000 0.850 690 V CB 1.379 33.220 31.823 0.029 0.000 1.005 690 V HN 0.682 nan 8.190 nan 0.000 0.426 691 I N 4.996 125.624 120.570 0.096 0.000 2.337 691 I HA 0.231 4.401 4.170 -0.000 0.000 0.291 691 I C -0.322 175.934 176.117 0.232 0.000 1.046 691 I CA -0.394 60.979 61.300 0.122 0.000 1.324 691 I CB 0.659 38.699 38.000 0.068 0.000 1.409 691 I HN 0.523 nan 8.210 nan 0.000 0.494 692 Y N 6.209 126.480 120.300 -0.048 0.000 2.603 692 Y HA 0.110 4.660 4.550 -0.001 0.000 0.341 692 Y C 1.622 177.538 175.900 0.027 0.000 1.272 692 Y CA -0.866 57.224 58.100 -0.017 0.000 1.891 692 Y CB -0.532 37.899 38.460 -0.049 0.000 1.910 692 Y HN 0.693 nan 8.280 nan 0.000 0.432 693 G N 1.227 110.109 108.800 0.137 0.000 2.448 693 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 693 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 693 G C 1.502 176.482 174.900 0.134 0.000 1.127 693 G CA 0.611 45.778 45.100 0.113 0.000 0.766 693 G HN 0.541 nan 8.290 nan 0.000 0.552 694 E N 0.850 121.122 120.200 0.119 0.000 2.482 694 E HA 0.030 4.380 4.350 -0.000 0.000 0.196 694 E C 0.809 177.570 176.600 0.268 0.000 1.047 694 E CA 0.900 57.404 56.400 0.173 0.000 0.869 694 E CB -0.162 29.551 29.700 0.022 0.000 0.836 694 E HN 0.305 nan 8.360 nan 0.000 0.520 695 D N 0.934 121.463 120.400 0.214 0.000 3.528 695 D HA -0.322 4.318 4.640 -0.000 0.000 0.163 695 D C 1.313 177.671 176.300 0.097 0.000 1.069 695 D CA 2.872 56.977 54.000 0.175 0.000 1.082 695 D CB -1.320 39.573 40.800 0.155 0.000 0.538 695 D HN 0.308 nan 8.370 nan 0.000 0.579 696 I N -1.834 118.671 120.570 -0.108 0.000 2.700 696 I HA 0.004 4.174 4.170 -0.000 0.000 0.261 696 I C 0.756 176.660 176.117 -0.355 0.000 1.219 696 I CA 0.846 61.976 61.300 -0.284 0.000 1.463 696 I CB -0.583 37.152 38.000 -0.442 0.000 1.092 696 I HN 0.077 nan 8.210 nan 0.000 0.452 697 F N 2.893 122.884 119.950 0.068 0.000 2.567 697 F HA 0.408 4.935 4.527 -0.001 0.000 0.352 697 F C 0.050 175.860 175.800 0.017 0.000 1.229 697 F CA -0.342 57.697 58.000 0.065 0.000 1.228 697 F CB -0.093 39.008 39.000 0.170 0.000 1.568 697 F HN -0.213 nan 8.300 nan 0.000 0.634 698 V N 1.700 121.637 119.914 0.038 0.000 2.581 698 V HA 0.810 4.930 4.120 -0.000 0.000 0.303 698 V C 0.764 176.812 176.094 -0.077 0.000 1.041 698 V CA -0.316 61.960 62.300 -0.041 0.000 0.907 698 V CB 0.991 32.767 31.823 -0.077 0.000 0.994 698 V HN 0.897 nan 8.190 nan 0.000 0.442 699 G N 4.011 112.795 108.800 -0.026 0.000 2.574 699 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.286 699 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.286 699 G C 0.606 175.627 174.900 0.202 0.000 1.212 699 G CA 1.294 46.472 45.100 0.129 0.000 0.979 699 G HN 1.475 nan 8.290 nan 0.000 0.557 700 Y N 0.817 121.272 120.300 0.258 0.000 2.315 700 Y HA 0.055 4.605 4.550 -0.000 0.000 0.288 700 Y C 2.888 178.916 175.900 0.213 0.000 1.154 700 Y CA 1.743 60.020 58.100 0.294 0.000 1.229 700 Y CB -0.525 38.069 38.460 0.223 0.000 0.980 700 Y HN 0.458 nan 8.280 nan 0.000 0.540 701 R N -0.707 119.566 120.500 -0.379 0.000 2.105 701 R HA -0.201 4.139 4.340 -0.000 0.000 0.239 701 R C 1.951 178.382 176.300 0.218 0.000 1.135 701 R CA 1.930 57.969 56.100 -0.102 0.000 0.967 701 R CB -0.689 29.508 30.300 -0.172 0.000 0.861 701 R HN 0.502 nan 8.270 nan 0.000 0.442 702 Y N 0.074 120.366 120.300 -0.013 0.000 2.153 702 Y HA -0.200 4.349 4.550 -0.001 0.000 0.289 702 Y C 1.794 177.608 175.900 -0.143 0.000 1.119 702 Y CA 1.275 59.306 58.100 -0.116 0.000 1.116 702 Y CB -0.389 37.867 38.460 -0.340 0.000 1.004 702 Y HN -0.067 nan 8.280 nan 0.000 0.501 703 Y N 0.804 121.180 120.300 0.126 0.000 2.274 703 Y HA -0.168 4.382 4.550 -0.000 0.000 0.290 703 Y C 2.308 178.194 175.900 -0.024 0.000 1.145 703 Y CA 1.707 59.819 58.100 0.020 0.000 1.203 703 Y CB -0.602 37.943 38.460 0.141 0.000 0.984 703 Y HN 0.273 nan 8.280 nan 0.000 0.533 704 E N -0.380 119.923 120.200 0.172 0.000 2.216 704 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 704 E C 1.919 178.520 176.600 0.001 0.000 0.988 704 E CA 0.692 57.158 56.400 0.109 0.000 0.834 704 E CB 0.004 29.805 29.700 0.169 0.000 0.772 704 E HN 0.159 nan 8.360 nan 0.000 0.479 705 K N 0.683 121.033 120.400 -0.083 0.000 2.103 705 K HA -0.058 4.262 4.320 -0.000 0.000 0.204 705 K C 1.529 177.976 176.600 -0.256 0.000 1.052 705 K CA 0.642 56.810 56.287 -0.197 0.000 0.945 705 K CB 0.058 32.315 32.500 -0.405 0.000 0.722 705 K HN -0.020 nan 8.250 nan 0.000 0.443 706 L N 1.616 122.643 121.223 -0.327 0.000 2.554 706 L HA 0.108 4.448 4.340 -0.000 0.000 0.226 706 L C -0.024 176.763 176.870 -0.137 0.000 1.137 706 L CA 0.862 55.529 54.840 -0.288 0.000 0.863 706 L CB -0.522 41.283 42.059 -0.423 0.000 0.985 706 L HN 0.265 nan 8.230 nan 0.000 0.451 707 Q N -0.051 119.701 119.800 -0.080 0.000 2.434 707 Q HA -0.290 4.050 4.340 -0.000 0.000 0.299 707 Q C 0.433 176.435 176.000 0.005 0.000 1.286 707 Q CA 0.564 56.355 55.803 -0.020 0.000 0.872 707 Q CB -1.559 27.163 28.738 -0.027 0.000 1.193 707 Q HN 0.449 nan 8.270 nan 0.000 0.466 708 R N 1.571 122.095 120.500 0.040 0.000 2.298 708 R HA 0.196 4.536 4.340 -0.000 0.000 0.310 708 R C -0.267 176.087 176.300 0.090 0.000 1.068 708 R CA -0.310 55.847 56.100 0.096 0.000 0.957 708 R CB 0.683 31.103 30.300 0.201 0.000 1.003 708 R HN 0.039 nan 8.270 nan 0.000 0.454 709 K N 3.133 123.579 120.400 0.076 0.000 2.401 709 K HA 0.109 4.429 4.320 -0.000 0.000 0.278 709 K C -0.050 176.566 176.600 0.027 0.000 1.018 709 K CA -0.273 56.061 56.287 0.079 0.000 0.981 709 K CB 0.957 33.556 32.500 0.165 0.000 0.933 709 K HN 0.414 nan 8.250 nan 0.000 0.477 710 V N -1.190 118.586 119.914 -0.230 0.000 3.113 710 V HA 0.556 4.676 4.120 -0.000 0.000 0.316 710 V C 0.797 176.216 176.094 -1.124 0.000 1.125 710 V CA -0.552 61.377 62.300 -0.620 0.000 1.026 710 V CB 1.410 32.889 31.823 -0.575 0.000 1.080 710 V HN 0.797 nan 8.190 nan 0.000 0.444 711 A N 0.520 122.467 122.820 -1.454 0.000 1.872 711 A HA 0.380 4.700 4.320 -0.000 0.000 0.214 711 A C 0.617 177.316 177.584 -1.474 0.000 1.187 711 A CA 1.388 52.473 52.037 -1.587 0.000 0.614 711 A CB -0.504 17.908 19.000 -0.981 0.000 0.826 711 A HN 0.842 nan 8.150 nan 0.000 0.442 712 F N -0.996 118.733 119.950 -0.367 0.000 2.581 712 F HA 0.523 5.050 4.527 -0.000 0.000 0.311 712 F C -2.735 172.981 175.800 -0.141 0.000 1.113 712 F CA -2.530 55.259 58.000 -0.353 0.000 0.935 712 F CB 2.221 41.007 39.000 -0.358 0.000 1.232 712 F HN -0.082 nan 8.300 nan 0.000 0.445 713 P HA 0.260 nan 4.420 nan 0.000 0.285 713 P C -0.646 176.825 177.300 0.285 0.000 1.280 713 P CA -0.560 62.627 63.100 0.146 0.000 0.862 713 P CB 1.217 32.966 31.700 0.081 0.000 1.153 714 F N 1.264 121.338 119.950 0.207 0.000 2.635 714 F HA 0.229 4.755 4.527 -0.000 0.000 0.379 714 F C 1.522 177.407 175.800 0.142 0.000 1.094 714 F CA 2.268 60.396 58.000 0.213 0.000 1.300 714 F CB -0.445 38.660 39.000 0.175 0.000 1.035 714 F HN 0.747 nan 8.300 nan 0.000 0.581 715 G N 3.683 112.112 108.800 -0.618 0.000 2.179 715 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.260 715 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.260 715 G C -0.133 174.592 174.900 -0.292 0.000 0.977 715 G CA 0.161 44.877 45.100 -0.641 0.000 0.641 715 G HN 0.954 nan 8.290 nan 0.000 0.533 716 Y N 1.241 121.428 120.300 -0.189 0.000 2.346 716 Y HA 0.489 5.039 4.550 -0.000 0.000 0.330 716 Y C 0.693 176.506 175.900 -0.146 0.000 1.178 716 Y CA 0.875 58.906 58.100 -0.115 0.000 1.331 716 Y CB 1.397 39.860 38.460 0.004 0.000 1.253 716 Y HN 0.788 nan 8.280 nan 0.000 0.529 717 G N 5.525 113.891 108.800 -0.724 0.000 2.498 717 G HA2 0.339 4.299 3.960 -0.000 0.000 0.301 717 G HA3 0.339 4.299 3.960 -0.000 0.000 0.301 717 G C -1.955 172.581 174.900 -0.606 0.000 1.577 717 G CA -0.988 43.769 45.100 -0.572 0.000 0.868 717 G HN 0.781 nan 8.290 nan 0.000 0.599 718 L N 0.563 121.506 121.223 -0.466 0.000 2.567 718 L HA 0.837 5.177 4.340 -0.000 0.000 0.238 718 L C 0.981 177.724 176.870 -0.213 0.000 1.168 718 L CA -0.701 53.961 54.840 -0.297 0.000 0.817 718 L CB 1.552 43.499 42.059 -0.187 0.000 1.409 718 L HN 0.606 nan 8.230 nan 0.000 0.502 719 S N -2.392 113.233 115.700 -0.125 0.000 2.806 719 S HA 0.434 4.904 4.470 -0.000 0.000 0.306 719 S C -0.220 174.314 174.600 -0.111 0.000 1.167 719 S CA -0.502 57.612 58.200 -0.145 0.000 0.847 719 S CB 0.852 64.120 63.200 0.113 0.000 1.216 719 S HN 0.375 nan 8.310 nan 0.000 0.532 720 Y N 0.751 120.942 120.300 -0.182 0.000 2.457 720 Y HA 0.360 4.909 4.550 -0.000 0.000 0.263 720 Y C 1.410 177.231 175.900 -0.131 0.000 1.164 720 Y CA -0.023 57.907 58.100 -0.283 0.000 1.274 720 Y CB -0.269 37.734 38.460 -0.761 0.000 1.097 720 Y HN 0.498 nan 8.280 nan 0.000 0.523 721 T N -0.414 114.138 114.554 -0.003 0.000 2.883 721 T HA 0.572 4.921 4.350 -0.000 0.000 0.284 721 T C -0.159 174.366 174.700 -0.291 0.000 1.041 721 T CA -0.442 61.575 62.100 -0.138 0.000 1.007 721 T CB 1.296 70.016 68.868 -0.245 0.000 1.220 721 T HN 0.095 nan 8.240 nan 0.000 0.552 722 T N 0.225 114.543 114.554 -0.394 0.000 2.918 722 T HA 0.797 5.147 4.350 -0.000 0.000 0.286 722 T C -1.042 173.350 174.700 -0.514 0.000 1.026 722 T CA -0.592 61.334 62.100 -0.290 0.000 1.031 722 T CB 0.889 69.683 68.868 -0.124 0.000 1.046 722 T HN 0.399 nan 8.240 nan 0.000 0.479 723 F N -0.020 119.913 119.950 -0.029 0.000 2.620 723 F HA 0.692 5.219 4.527 -0.000 0.000 0.320 723 F C 0.175 175.962 175.800 -0.022 0.000 1.069 723 F CA -0.933 57.049 58.000 -0.030 0.000 0.953 723 F CB 2.239 41.212 39.000 -0.045 0.000 1.322 723 F HN 0.918 nan 8.300 nan 0.000 0.479 724 E N 1.061 121.376 120.200 0.192 0.000 2.408 724 E HA 0.744 5.094 4.350 -0.000 0.000 0.275 724 E C -2.094 174.558 176.600 0.086 0.000 0.935 724 E CA -1.097 55.365 56.400 0.104 0.000 0.775 724 E CB 2.743 32.479 29.700 0.059 0.000 1.277 724 E HN 0.546 nan 8.360 nan 0.000 0.455 725 L N -0.946 120.309 121.223 0.053 0.000 2.469 725 L HA 0.737 5.077 4.340 -0.000 0.000 0.256 725 L C -1.657 175.228 176.870 0.024 0.000 1.006 725 L CA -0.642 54.219 54.840 0.036 0.000 0.832 725 L CB 2.202 44.273 42.059 0.021 0.000 1.421 725 L HN 0.704 nan 8.230 nan 0.000 0.410 726 D N 0.533 120.946 120.400 0.020 0.000 2.609 726 D HA 0.392 5.031 4.640 -0.000 0.000 0.239 726 D C -0.739 175.570 176.300 0.014 0.000 1.229 726 D CA -0.403 53.605 54.000 0.013 0.000 0.808 726 D CB 2.227 43.034 40.800 0.013 0.000 1.448 726 D HN 0.662 nan 8.370 nan 0.000 0.433 727 I N 1.542 122.116 120.570 0.007 0.000 2.587 727 I HA -0.054 4.115 4.170 -0.000 0.000 0.284 727 I C 1.610 177.746 176.117 0.031 0.000 1.134 727 I CA 0.252 61.563 61.300 0.018 0.000 1.410 727 I CB 0.794 38.789 38.000 -0.008 0.000 1.392 727 I HN 0.469 nan 8.210 nan 0.000 0.545 728 S N 2.853 118.578 115.700 0.041 0.000 2.523 728 S HA 0.198 4.668 4.470 -0.000 0.000 0.217 728 S C 0.141 174.772 174.600 0.051 0.000 0.996 728 S CA -0.309 57.914 58.200 0.038 0.000 0.921 728 S CB 0.317 63.535 63.200 0.029 0.000 0.829 728 S HN 0.719 nan 8.310 nan 0.000 0.495 729 D N -0.676 119.769 120.400 0.076 0.000 2.706 729 D HA 0.502 5.142 4.640 -0.000 0.000 0.227 729 D C -2.252 174.153 176.300 0.175 0.000 1.233 729 D CA -0.439 53.617 54.000 0.093 0.000 0.768 729 D CB 1.785 42.611 40.800 0.045 0.000 1.490 729 D HN 0.103 nan 8.370 nan 0.000 0.458 730 F N 2.232 122.168 119.950 -0.023 0.000 2.605 730 F HA 0.490 5.017 4.527 -0.001 0.000 0.320 730 F C -1.643 174.130 175.800 -0.044 0.000 1.159 730 F CA -0.488 57.488 58.000 -0.040 0.000 0.999 730 F CB 1.321 40.301 39.000 -0.032 0.000 1.258 730 F HN 0.099 nan 8.300 nan 0.000 0.464 731 K N 5.619 125.508 120.400 -0.851 0.000 2.535 731 K HA 0.636 4.956 4.320 -0.000 0.000 0.250 731 K C -1.939 174.208 176.600 -0.755 0.000 0.948 731 K CA -0.639 55.268 56.287 -0.634 0.000 0.796 731 K CB 2.193 34.513 32.500 -0.300 0.000 1.216 731 K HN 0.613 nan 8.250 nan 0.000 0.432 732 V N 1.276 120.874 119.914 -0.526 0.000 2.487 732 V HA 0.597 4.716 4.120 -0.000 0.000 0.298 732 V C 0.046 176.046 176.094 -0.158 0.000 1.028 732 V CA -0.275 61.815 62.300 -0.351 0.000 0.860 732 V CB 1.409 33.069 31.823 -0.272 0.000 0.991 732 V HN 0.886 nan 8.190 nan 0.000 0.427 733 T N 1.832 116.304 114.554 -0.136 0.000 2.814 733 T HA 0.290 4.640 4.350 -0.000 0.000 0.284 733 T C 0.760 175.433 174.700 -0.044 0.000 0.998 733 T CA 0.482 62.536 62.100 -0.076 0.000 0.935 733 T CB 1.216 70.035 68.868 -0.081 0.000 1.167 733 T HN 0.730 nan 8.240 nan 0.000 0.545 734 D N 0.395 120.780 120.400 -0.026 0.000 2.117 734 D HA -0.036 4.604 4.640 -0.000 0.000 0.197 734 D C 1.380 177.653 176.300 -0.044 0.000 0.987 734 D CA 1.423 55.414 54.000 -0.014 0.000 0.829 734 D CB -0.250 40.546 40.800 -0.006 0.000 0.961 734 D HN 0.651 nan 8.370 nan 0.000 0.460 735 D N -0.421 119.938 120.400 -0.068 0.000 2.350 735 D HA 0.132 4.772 4.640 -0.000 0.000 0.213 735 D C 0.304 176.525 176.300 -0.132 0.000 1.031 735 D CA 0.445 54.386 54.000 -0.100 0.000 0.861 735 D CB 0.645 41.386 40.800 -0.098 0.000 0.926 735 D HN 0.085 nan 8.370 nan 0.000 0.520 736 K N -0.080 120.236 120.400 -0.140 0.000 2.556 736 K HA 0.544 4.864 4.320 -0.000 0.000 0.274 736 K C -1.311 175.159 176.600 -0.216 0.000 0.966 736 K CA -0.701 55.484 56.287 -0.170 0.000 0.865 736 K CB 2.643 35.053 32.500 -0.150 0.000 1.444 736 K HN -0.183 nan 8.250 nan 0.000 0.433 737 I N 1.356 121.790 120.570 -0.227 0.000 2.465 737 I HA 0.528 4.697 4.170 -0.000 0.000 0.291 737 I C -0.752 175.230 176.117 -0.225 0.000 1.014 737 I CA -0.847 60.280 61.300 -0.288 0.000 1.093 737 I CB 2.063 39.943 38.000 -0.200 0.000 1.267 737 I HN 0.553 nan 8.210 nan 0.000 0.431 738 A N 7.159 129.799 122.820 -0.300 0.000 2.330 738 A HA 0.891 5.211 4.320 -0.000 0.000 0.313 738 A C -1.007 176.472 177.584 -0.175 0.000 1.124 738 A CA -0.512 51.408 52.037 -0.194 0.000 0.774 738 A CB 1.364 20.258 19.000 -0.176 0.000 1.198 738 A HN 0.793 nan 8.150 nan 0.000 0.465 739 I N 0.859 121.407 120.570 -0.036 0.000 2.686 739 I HA 0.716 4.885 4.170 -0.000 0.000 0.295 739 I C -0.890 175.254 176.117 0.045 0.000 1.114 739 I CA -0.097 61.247 61.300 0.073 0.000 1.038 739 I CB 2.398 40.526 38.000 0.213 0.000 1.238 739 I HN 0.377 nan 8.210 nan 0.000 0.420 740 S N 5.581 121.317 115.700 0.061 0.000 2.478 740 S HA 0.712 5.181 4.470 -0.000 0.000 0.312 740 S C -0.883 173.740 174.600 0.039 0.000 1.094 740 S CA -0.567 57.654 58.200 0.035 0.000 1.081 740 S CB 1.714 64.929 63.200 0.025 0.000 1.007 740 S HN 0.461 nan 8.310 nan 0.000 0.475 741 V N 2.932 122.861 119.914 0.026 0.000 2.604 741 V HA 0.474 4.593 4.120 -0.000 0.000 0.305 741 V C -0.777 175.328 176.094 0.019 0.000 1.043 741 V CA -0.924 61.389 62.300 0.022 0.000 0.888 741 V CB 2.106 33.938 31.823 0.015 0.000 0.995 741 V HN 0.669 nan 8.190 nan 0.000 0.429 742 D N 2.437 122.850 120.400 0.022 0.000 2.193 742 D HA 0.693 5.333 4.640 -0.000 0.000 0.244 742 D C -0.717 175.601 176.300 0.031 0.000 1.064 742 D CA 0.090 54.106 54.000 0.025 0.000 0.845 742 D CB 2.038 42.853 40.800 0.026 0.000 1.148 742 D HN 0.333 nan 8.370 nan 0.000 0.464 743 V N 2.122 122.059 119.914 0.039 0.000 2.841 743 V HA 0.566 4.685 4.120 -0.000 0.000 0.310 743 V C -0.395 175.755 176.094 0.094 0.000 1.090 743 V CA -0.961 61.374 62.300 0.058 0.000 0.930 743 V CB 2.269 34.108 31.823 0.027 0.000 1.014 743 V HN 0.415 nan 8.190 nan 0.000 0.425 744 K N 2.587 123.072 120.400 0.142 0.000 2.535 744 K HA 0.392 4.712 4.320 -0.000 0.000 0.251 744 K C -1.031 175.663 176.600 0.157 0.000 0.942 744 K CA -0.679 55.684 56.287 0.127 0.000 0.798 744 K CB 1.802 34.340 32.500 0.064 0.000 1.267 744 K HN 0.683 nan 8.250 nan 0.000 0.434 745 N N 2.811 121.567 118.700 0.093 0.000 2.406 745 N HA -0.019 4.720 4.740 -0.000 0.000 0.265 745 N C 0.079 175.491 175.510 -0.163 0.000 1.203 745 N CA 0.275 53.211 53.050 -0.191 0.000 0.945 745 N CB 0.941 39.324 38.487 -0.174 0.000 1.165 745 N HN 0.667 nan 8.380 nan 0.000 0.485 746 T N 0.041 114.485 114.554 -0.184 0.000 3.272 746 T HA 0.270 4.620 4.350 -0.000 0.000 0.250 746 T C 0.873 175.500 174.700 -0.121 0.000 1.082 746 T CA -0.530 61.504 62.100 -0.110 0.000 0.968 746 T CB -0.166 68.661 68.868 -0.069 0.000 1.015 746 T HN 0.318 nan 8.240 nan 0.000 0.563 747 G N 1.026 109.726 108.800 -0.167 0.000 2.491 747 G HA2 0.504 4.464 3.960 -0.000 0.000 0.327 747 G HA3 0.504 4.464 3.960 -0.000 0.000 0.327 747 G C -0.188 174.660 174.900 -0.087 0.000 1.189 747 G CA -0.641 44.389 45.100 -0.115 0.000 0.956 747 G HN 0.305 nan 8.290 nan 0.000 0.491 748 D N -1.570 118.789 120.400 -0.069 0.000 2.479 748 D HA 0.104 4.744 4.640 -0.000 0.000 0.218 748 D C 0.970 177.208 176.300 -0.103 0.000 1.177 748 D CA -0.058 53.899 54.000 -0.072 0.000 0.830 748 D CB 0.802 41.565 40.800 -0.061 0.000 1.014 748 D HN 0.428 nan 8.370 nan 0.000 0.503 749 K N -0.786 119.538 120.400 -0.126 0.000 2.363 749 K HA 0.237 4.556 4.320 -0.000 0.000 0.215 749 K C -0.459 175.918 176.600 -0.371 0.000 1.179 749 K CA -0.039 56.071 56.287 -0.295 0.000 0.856 749 K CB 0.503 32.781 32.500 -0.370 0.000 1.371 749 K HN -0.076 nan 8.250 nan 0.000 0.455 750 F N 1.832 121.767 119.950 -0.026 0.000 2.408 750 F HA 0.433 4.960 4.527 -0.000 0.000 0.344 750 F C 0.346 176.122 175.800 -0.041 0.000 1.112 750 F CA -1.148 56.851 58.000 -0.001 0.000 1.096 750 F CB 1.421 40.457 39.000 0.059 0.000 1.129 750 F HN 0.088 nan 8.300 nan 0.000 0.486 751 A N 2.191 125.107 122.820 0.161 0.000 2.425 751 A HA 0.710 5.029 4.320 -0.000 0.000 0.242 751 A C 0.429 178.043 177.584 0.051 0.000 1.077 751 A CA 0.507 52.580 52.037 0.059 0.000 0.781 751 A CB -0.045 19.016 19.000 0.102 0.000 1.020 751 A HN 1.068 nan 8.150 nan 0.000 0.494 752 G N -0.674 108.068 108.800 -0.098 0.000 2.466 752 G HA2 0.506 4.466 3.960 -0.000 0.000 0.291 752 G HA3 0.506 4.466 3.960 -0.000 0.000 0.291 752 G C -1.009 173.909 174.900 0.030 0.000 1.460 752 G CA -0.345 44.769 45.100 0.024 0.000 0.791 752 G HN 0.890 nan 8.290 nan 0.000 0.505 753 S N -0.297 115.423 115.700 0.033 0.000 2.525 753 S HA 0.666 5.136 4.470 -0.000 0.000 0.290 753 S C -0.406 173.947 174.600 -0.411 0.000 1.152 753 S CA -0.433 57.709 58.200 -0.098 0.000 1.072 753 S CB 1.841 65.050 63.200 0.015 0.000 1.027 753 S HN 0.721 nan 8.310 nan 0.000 0.500 754 E N 1.435 121.208 120.200 -0.711 0.000 2.221 754 E HA 0.575 4.925 4.350 -0.000 0.000 0.268 754 E C -1.547 174.793 176.600 -0.433 0.000 0.933 754 E CA -0.778 55.075 56.400 -0.911 0.000 0.809 754 E CB 1.354 30.190 29.700 -1.440 0.000 1.190 754 E HN 0.272 nan 8.360 nan 0.000 0.406 755 V N 3.936 123.631 119.914 -0.365 0.000 2.357 755 V HA 0.325 4.444 4.120 -0.000 0.000 0.284 755 V C -0.472 175.505 176.094 -0.196 0.000 1.018 755 V CA -0.910 61.247 62.300 -0.238 0.000 0.841 755 V CB 1.516 33.116 31.823 -0.372 0.000 0.991 755 V HN 0.565 nan 8.190 nan 0.000 0.437 756 V N 6.036 125.899 119.914 -0.084 0.000 2.461 756 V HA 0.321 4.440 4.120 -0.000 0.000 0.275 756 V C 0.071 176.182 176.094 0.029 0.000 1.047 756 V CA -0.243 62.034 62.300 -0.038 0.000 0.955 756 V CB 1.234 33.050 31.823 -0.012 0.000 0.988 756 V HN 0.919 nan 8.190 nan 0.000 0.471 757 Q N 3.623 123.429 119.800 0.011 0.000 2.331 757 Q HA 0.618 4.957 4.340 -0.000 0.000 0.267 757 Q C -1.275 174.678 176.000 -0.078 0.000 1.006 757 Q CA -0.586 55.213 55.803 -0.007 0.000 0.818 757 Q CB 2.699 31.421 28.738 -0.026 0.000 1.276 757 Q HN 0.574 nan 8.270 nan 0.000 0.450 758 V N 3.559 123.382 119.914 -0.151 0.000 2.357 758 V HA 0.400 4.519 4.120 -0.000 0.000 0.284 758 V C -1.127 174.835 176.094 -0.221 0.000 1.018 758 V CA -0.697 61.534 62.300 -0.116 0.000 0.841 758 V CB 0.243 32.059 31.823 -0.012 0.000 0.991 758 V HN 0.639 nan 8.190 nan 0.000 0.437 759 Y N 3.882 124.196 120.300 0.024 0.000 2.446 759 Y HA 0.698 5.248 4.550 -0.001 0.000 0.338 759 Y C -0.325 175.550 175.900 -0.042 0.000 1.055 759 Y CA -0.842 57.324 58.100 0.109 0.000 1.101 759 Y CB 1.879 40.409 38.460 0.118 0.000 1.221 759 Y HN 0.493 nan 8.280 nan 0.000 0.460 760 F N 0.588 120.725 119.950 0.312 0.000 2.508 760 F HA 0.650 5.177 4.527 -0.001 0.000 0.325 760 F C -0.017 175.952 175.800 0.281 0.000 1.090 760 F CA -0.489 57.682 58.000 0.284 0.000 0.945 760 F CB 2.068 41.213 39.000 0.243 0.000 1.156 760 F HN 0.304 nan 8.300 nan 0.000 0.463 761 S N 1.094 117.046 115.700 0.422 0.000 2.548 761 S HA 0.802 5.271 4.470 -0.000 0.000 0.286 761 S C -0.966 173.816 174.600 0.302 0.000 1.098 761 S CA -0.799 57.580 58.200 0.298 0.000 0.930 761 S CB 1.872 65.171 63.200 0.165 0.000 1.070 761 S HN 0.712 nan 8.310 nan 0.000 0.480 762 A N 2.179 125.104 122.820 0.176 0.000 2.274 762 A HA 0.625 4.945 4.320 -0.000 0.000 0.309 762 A C 0.540 178.010 177.584 -0.191 0.000 1.226 762 A CA -0.532 51.437 52.037 -0.114 0.000 0.853 762 A CB 0.005 18.973 19.000 -0.054 0.000 1.146 762 A HN 0.911 nan 8.150 nan 0.000 0.518 763 L N 1.535 122.560 121.223 -0.330 0.000 2.416 763 L HA 0.084 4.424 4.340 -0.000 0.000 0.216 763 L C 0.650 177.413 176.870 -0.179 0.000 1.098 763 L CA 0.567 55.289 54.840 -0.197 0.000 0.840 763 L CB 0.002 41.953 42.059 -0.179 0.000 0.981 763 L HN 0.929 nan 8.230 nan 0.000 0.462 764 N N -1.252 117.303 118.700 -0.242 0.000 2.651 764 N HA 0.027 4.767 4.740 -0.000 0.000 0.277 764 N C -0.843 174.572 175.510 -0.158 0.000 1.787 764 N CA -0.160 52.792 53.050 -0.162 0.000 0.818 764 N CB 0.382 38.791 38.487 -0.130 0.000 1.316 764 N HN -0.191 nan 8.380 nan 0.000 0.503 765 S N 0.384 115.993 115.700 -0.150 0.000 2.616 765 S HA 0.357 4.827 4.470 -0.000 0.000 0.277 765 S C 1.078 175.627 174.600 -0.085 0.000 1.234 765 S CA -0.438 57.685 58.200 -0.129 0.000 1.028 765 S CB 0.880 63.995 63.200 -0.142 0.000 0.988 765 S HN 0.234 nan 8.310 nan 0.000 0.522 766 K N 1.665 122.029 120.400 -0.060 0.000 2.366 766 K HA 0.164 4.483 4.320 -0.000 0.000 0.198 766 K C 0.285 176.849 176.600 -0.059 0.000 1.044 766 K CA 0.446 56.716 56.287 -0.029 0.000 0.973 766 K CB -0.318 32.197 32.500 0.025 0.000 0.767 766 K HN 0.375 nan 8.250 nan 0.000 0.475 767 V N 1.022 120.854 119.914 -0.138 0.000 2.630 767 V HA 0.156 4.275 4.120 -0.000 0.000 0.305 767 V C 0.127 176.141 176.094 -0.134 0.000 1.046 767 V CA -0.827 61.355 62.300 -0.195 0.000 0.934 767 V CB 2.007 33.520 31.823 -0.517 0.000 1.003 767 V HN 0.086 nan 8.190 nan 0.000 0.451 768 S N 5.020 120.687 115.700 -0.055 0.000 2.549 768 S HA 0.453 4.923 4.470 -0.000 0.000 0.283 768 S C -0.154 174.472 174.600 0.043 0.000 1.320 768 S CA -0.198 58.024 58.200 0.038 0.000 1.058 768 S CB -0.019 63.256 63.200 0.126 0.000 0.882 768 S HN 0.683 nan 8.310 nan 0.000 0.498 769 R N 3.091 123.662 120.500 0.120 0.000 2.799 769 R HA 0.461 4.801 4.340 -0.000 0.000 0.270 769 R C -2.967 173.495 176.300 0.269 0.000 1.010 769 R CA -2.175 53.999 56.100 0.123 0.000 0.916 769 R CB 0.947 31.298 30.300 0.086 0.000 1.228 769 R HN 0.384 nan 8.270 nan 0.000 0.469 770 P HA 0.020 nan 4.420 nan 0.000 0.272 770 P C 0.916 178.353 177.300 0.228 0.000 1.223 770 P CA -0.288 62.988 63.100 0.294 0.000 0.784 770 P CB 0.633 32.425 31.700 0.155 0.000 0.923 771 V N 0.959 120.996 119.914 0.204 0.000 2.282 771 V HA -0.203 3.916 4.120 -0.000 0.000 0.249 771 V C 1.127 177.329 176.094 0.180 0.000 1.057 771 V CA 2.055 64.446 62.300 0.152 0.000 1.032 771 V CB -1.198 30.695 31.823 0.117 0.000 0.645 771 V HN 0.752 nan 8.190 nan 0.000 0.447 772 K N -0.531 120.015 120.400 0.243 0.000 2.575 772 K HA 0.587 4.907 4.320 -0.000 0.000 0.279 772 K C -1.571 175.314 176.600 0.474 0.000 0.969 772 K CA -0.802 55.675 56.287 0.317 0.000 0.868 772 K CB 2.131 34.777 32.500 0.243 0.000 1.457 772 K HN 0.127 nan 8.250 nan 0.000 0.426 773 E N 1.570 122.095 120.200 0.541 0.000 2.224 773 E HA 0.221 4.570 4.350 -0.000 0.000 0.265 773 E C -1.219 175.714 176.600 0.555 0.000 0.878 773 E CA -1.144 55.587 56.400 0.552 0.000 0.759 773 E CB 2.212 32.126 29.700 0.356 0.000 1.164 773 E HN 0.422 nan 8.360 nan 0.000 0.414 774 L N 3.517 125.055 121.223 0.524 0.000 2.513 774 L HA -0.007 4.333 4.340 -0.000 0.000 0.272 774 L C 0.428 177.321 176.870 0.039 0.000 1.187 774 L CA 0.955 55.850 54.840 0.091 0.000 0.895 774 L CB 0.192 42.399 42.059 0.247 0.000 1.147 774 L HN 0.479 nan 8.230 nan 0.000 0.483 775 K N 3.442 123.750 120.400 -0.154 0.000 2.558 775 K HA 0.435 4.754 4.320 -0.000 0.000 0.215 775 K C 0.050 176.140 176.600 -0.850 0.000 1.298 775 K CA 0.438 56.378 56.287 -0.578 0.000 1.008 775 K CB 1.296 33.723 32.500 -0.122 0.000 1.073 775 K HN 0.705 nan 8.250 nan 0.000 0.606 776 G N 1.190 109.839 108.800 -0.252 0.000 2.698 776 G HA2 0.616 4.576 3.960 -0.000 0.000 0.293 776 G HA3 0.616 4.576 3.960 -0.000 0.000 0.293 776 G C -1.541 173.525 174.900 0.277 0.000 1.437 776 G CA -0.744 44.356 45.100 0.000 0.000 0.852 776 G HN 0.005 nan 8.290 nan 0.000 0.499 777 F N -1.297 118.747 119.950 0.157 0.000 2.703 777 F HA 0.840 5.367 4.527 -0.001 0.000 0.308 777 F C -1.127 174.716 175.800 0.072 0.000 1.126 777 F CA -1.237 56.829 58.000 0.110 0.000 0.959 777 F CB 1.804 40.939 39.000 0.225 0.000 1.297 777 F HN 0.394 nan 8.300 nan 0.000 0.441 778 E N 1.541 121.853 120.200 0.187 0.000 2.331 778 E HA 0.333 4.683 4.350 -0.000 0.000 0.275 778 E C -1.794 174.869 176.600 0.105 0.000 0.895 778 E CA -0.946 55.506 56.400 0.087 0.000 0.753 778 E CB 3.169 32.874 29.700 0.008 0.000 1.216 778 E HN 0.751 nan 8.360 nan 0.000 0.434 779 K N 1.150 121.605 120.400 0.092 0.000 2.182 779 K HA 0.556 4.876 4.320 -0.000 0.000 0.262 779 K C -1.243 175.365 176.600 0.014 0.000 0.957 779 K CA -0.701 55.612 56.287 0.045 0.000 0.842 779 K CB 1.641 34.189 32.500 0.079 0.000 1.099 779 K HN 0.246 nan 8.250 nan 0.000 0.438 780 V N 4.890 124.784 119.914 -0.032 0.000 2.623 780 V HA 0.257 4.377 4.120 -0.000 0.000 0.304 780 V C -1.267 174.844 176.094 0.029 0.000 1.054 780 V CA -0.661 61.642 62.300 0.005 0.000 0.882 780 V CB 1.532 33.350 31.823 -0.008 0.000 1.002 780 V HN 0.922 nan 8.190 nan 0.000 0.424 781 H N 6.936 126.014 119.070 0.013 0.000 2.620 781 H HA 0.548 5.104 4.556 -0.000 0.000 0.313 781 H C -1.387 173.996 175.328 0.091 0.000 1.075 781 H CA -0.005 56.075 56.048 0.054 0.000 1.397 781 H CB 1.265 31.055 29.762 0.047 0.000 1.446 781 H HN 0.593 nan 8.280 nan 0.000 0.493 782 L N 5.225 126.328 121.223 -0.199 0.000 2.439 782 L HA 0.187 4.527 4.340 -0.000 0.000 0.270 782 L C 0.081 176.901 176.870 -0.084 0.000 0.972 782 L CA -0.883 53.945 54.840 -0.019 0.000 0.836 782 L CB 2.102 44.236 42.059 0.126 0.000 1.255 782 L HN 0.525 nan 8.230 nan 0.000 0.404 783 E N 2.725 122.929 120.200 0.007 0.000 2.438 783 E HA 0.087 4.437 4.350 -0.000 0.000 0.261 783 E C -2.283 174.311 176.600 -0.010 0.000 1.103 783 E CA -1.521 54.892 56.400 0.022 0.000 0.959 783 E CB 0.022 29.758 29.700 0.060 0.000 0.958 783 E HN 0.231 nan 8.360 nan 0.000 0.447 784 P HA -0.025 nan 4.420 nan 0.000 0.264 784 P C 0.752 178.030 177.300 -0.037 0.000 1.183 784 P CA 1.168 64.238 63.100 -0.051 0.000 0.763 784 P CB 0.331 31.998 31.700 -0.054 0.000 0.807 785 G N 1.557 110.329 108.800 -0.046 0.000 2.220 785 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.269 785 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.269 785 G C 0.284 175.182 174.900 -0.004 0.000 0.977 785 G CA 0.219 45.303 45.100 -0.026 0.000 0.634 785 G HN 0.631 nan 8.290 nan 0.000 0.539 786 E N 0.489 120.693 120.200 0.007 0.000 2.366 786 E HA 0.519 4.869 4.350 -0.000 0.000 0.266 786 E C 0.055 176.680 176.600 0.041 0.000 1.051 786 E CA -0.424 55.993 56.400 0.028 0.000 0.884 786 E CB 0.398 30.123 29.700 0.041 0.000 1.006 786 E HN 0.247 nan 8.360 nan 0.000 0.417 787 K N 3.212 123.636 120.400 0.041 0.000 2.397 787 K HA 0.350 4.670 4.320 -0.000 0.000 0.253 787 K C -1.200 175.425 176.600 0.043 0.000 0.932 787 K CA -0.591 55.723 56.287 0.044 0.000 0.795 787 K CB 1.207 33.727 32.500 0.032 0.000 1.159 787 K HN 0.385 nan 8.250 nan 0.000 0.424 788 K N 0.965 121.392 120.400 0.046 0.000 2.444 788 K HA 0.425 4.745 4.320 -0.000 0.000 0.252 788 K C -1.210 175.407 176.600 0.029 0.000 0.993 788 K CA -0.877 55.432 56.287 0.037 0.000 0.847 788 K CB 2.331 34.856 32.500 0.042 0.000 1.340 788 K HN 0.380 nan 8.250 nan 0.000 0.446 789 T N 1.419 115.986 114.554 0.022 0.000 2.809 789 T HA 0.338 4.688 4.350 -0.000 0.000 0.284 789 T C -0.790 173.916 174.700 0.010 0.000 0.992 789 T CA -0.763 61.347 62.100 0.016 0.000 0.957 789 T CB 0.985 69.861 68.868 0.014 0.000 0.942 789 T HN 0.389 nan 8.240 nan 0.000 0.439 790 V N 2.181 122.100 119.914 0.008 0.000 2.612 790 V HA 0.714 4.834 4.120 -0.000 0.000 0.301 790 V C -0.359 175.733 176.094 -0.003 0.000 1.046 790 V CA -0.921 61.379 62.300 -0.000 0.000 0.946 790 V CB 1.605 33.427 31.823 -0.002 0.000 1.003 790 V HN 0.666 nan 8.190 nan 0.000 0.459 791 N N 3.641 122.334 118.700 -0.013 0.000 2.417 791 N HA 0.683 5.422 4.740 -0.000 0.000 0.300 791 N C -0.925 174.569 175.510 -0.027 0.000 1.102 791 N CA -0.337 52.702 53.050 -0.018 0.000 0.886 791 N CB 2.106 40.578 38.487 -0.026 0.000 1.203 791 N HN 0.784 nan 8.380 nan 0.000 0.496 792 I N 1.292 121.849 120.570 -0.022 0.000 2.529 792 I HA 0.223 4.393 4.170 -0.000 0.000 0.284 792 I C -1.153 174.944 176.117 -0.033 0.000 1.088 792 I CA -0.748 60.536 61.300 -0.027 0.000 1.062 792 I CB 1.806 39.806 38.000 -0.002 0.000 1.218 792 I HN 0.130 nan 8.210 nan 0.000 0.442 793 D N 8.070 128.436 120.400 -0.058 0.000 2.278 793 D HA 0.771 5.411 4.640 -0.000 0.000 0.245 793 D C -0.586 175.662 176.300 -0.088 0.000 1.052 793 D CA -0.234 53.719 54.000 -0.078 0.000 0.834 793 D CB 2.874 43.623 40.800 -0.086 0.000 1.194 793 D HN 0.270 nan 8.370 nan 0.000 0.481 794 L N 0.376 121.535 121.223 -0.108 0.000 2.424 794 L HA 0.363 4.702 4.340 -0.000 0.000 0.258 794 L C 0.069 176.833 176.870 -0.176 0.000 0.995 794 L CA -1.082 53.675 54.840 -0.139 0.000 0.821 794 L CB 2.208 44.170 42.059 -0.161 0.000 1.383 794 L HN 0.091 nan 8.230 nan 0.000 0.410 795 E N 1.925 122.009 120.200 -0.193 0.000 2.338 795 E HA 0.179 4.529 4.350 -0.000 0.000 0.272 795 E C 0.662 177.104 176.600 -0.264 0.000 1.029 795 E CA -0.397 55.871 56.400 -0.221 0.000 0.872 795 E CB 1.480 31.034 29.700 -0.243 0.000 1.015 795 E HN 0.507 nan 8.360 nan 0.000 0.417 796 L N 3.104 124.178 121.223 -0.248 0.000 2.054 796 L HA -0.355 3.985 4.340 -0.000 0.000 0.220 796 L C 2.614 179.314 176.870 -0.282 0.000 1.081 796 L CA 2.145 56.828 54.840 -0.262 0.000 0.780 796 L CB -0.714 41.237 42.059 -0.181 0.000 0.893 796 L HN 0.664 nan 8.230 nan 0.000 0.438 797 K N -0.580 119.642 120.400 -0.296 0.000 2.209 797 K HA -0.202 4.118 4.320 -0.000 0.000 0.204 797 K C 1.335 177.766 176.600 -0.281 0.000 1.048 797 K CA 1.827 57.926 56.287 -0.314 0.000 0.940 797 K CB -0.248 31.840 32.500 -0.686 0.000 0.729 797 K HN 0.334 nan 8.250 nan 0.000 0.451 798 D N 1.172 121.375 120.400 -0.329 0.000 2.183 798 D HA -0.078 4.562 4.640 -0.000 0.000 0.203 798 D C 1.865 178.005 176.300 -0.267 0.000 0.969 798 D CA 1.489 55.329 54.000 -0.266 0.000 0.842 798 D CB 0.063 40.724 40.800 -0.231 0.000 0.957 798 D HN 0.470 nan 8.370 nan 0.000 0.484 799 A N 0.551 123.137 122.820 -0.391 0.000 1.956 799 A HA 0.112 4.432 4.320 -0.000 0.000 0.212 799 A C 1.953 179.220 177.584 -0.529 0.000 1.188 799 A CA 0.503 52.145 52.037 -0.659 0.000 0.675 799 A CB -0.090 18.196 19.000 -1.190 0.000 0.845 799 A HN 0.332 nan 8.150 nan 0.000 0.455 800 I N -4.322 116.051 120.570 -0.328 0.000 4.310 800 I HA 0.338 4.507 4.170 -0.000 0.000 0.328 800 I C -0.122 176.029 176.117 0.056 0.000 1.406 800 I CA -0.346 60.850 61.300 -0.173 0.000 1.174 800 I CB 0.694 38.407 38.000 -0.479 0.000 1.279 800 I HN -0.121 nan 8.210 nan 0.000 0.471 801 S N 1.638 117.415 115.700 0.127 0.000 2.593 801 S HA 0.465 4.934 4.470 -0.000 0.000 0.269 801 S C -0.557 174.305 174.600 0.436 0.000 1.334 801 S CA -0.033 58.342 58.200 0.291 0.000 1.015 801 S CB 0.440 63.899 63.200 0.432 0.000 0.912 801 S HN 0.513 nan 8.310 nan 0.000 0.541 802 Y N -0.960 119.580 120.300 0.401 0.000 2.609 802 Y HA 0.742 5.292 4.550 -0.001 0.000 0.342 802 Y C -1.175 174.932 175.900 0.344 0.000 1.058 802 Y CA -1.813 56.516 58.100 0.381 0.000 1.055 802 Y CB 0.613 39.202 38.460 0.215 0.000 1.292 802 Y HN 0.459 nan 8.280 nan 0.000 0.476 803 F N 3.515 123.399 119.950 -0.109 0.000 2.404 803 F HA 0.344 4.871 4.527 -0.001 0.000 0.358 803 F C 0.104 175.774 175.800 -0.216 0.000 1.120 803 F CA -0.487 57.158 58.000 -0.591 0.000 1.144 803 F CB 0.555 39.011 39.000 -0.908 0.000 1.133 803 F HN 0.687 nan 8.300 nan 0.000 0.495 804 N N 5.579 123.804 118.700 -0.792 0.000 2.415 804 N HA -0.020 4.719 4.740 -0.000 0.000 0.250 804 N C 0.977 176.185 175.510 -0.503 0.000 1.127 804 N CA 0.317 53.171 53.050 -0.326 0.000 0.945 804 N CB 0.543 38.901 38.487 -0.215 0.000 1.196 804 N HN 0.906 nan 8.380 nan 0.000 0.499 805 E N 2.398 122.531 120.200 -0.112 0.000 2.110 805 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 805 E C 1.062 177.632 176.600 -0.051 0.000 0.988 805 E CA 1.125 57.538 56.400 0.023 0.000 0.804 805 E CB 0.265 30.032 29.700 0.110 0.000 0.745 805 E HN 0.708 nan 8.360 nan 0.000 0.458 806 E N -0.153 120.009 120.200 -0.062 0.000 2.107 806 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 806 E C 1.914 178.440 176.600 -0.123 0.000 0.982 806 E CA 0.607 56.969 56.400 -0.064 0.000 0.809 806 E CB 0.139 29.817 29.700 -0.037 0.000 0.756 806 E HN 0.278 nan 8.360 nan 0.000 0.459 807 L N -0.878 120.225 121.223 -0.201 0.000 2.446 807 L HA 0.208 4.547 4.340 -0.000 0.000 0.219 807 L C 1.344 178.046 176.870 -0.280 0.000 1.116 807 L CA 0.397 55.080 54.840 -0.261 0.000 0.844 807 L CB 0.201 42.039 42.059 -0.367 0.000 0.970 807 L HN 0.340 nan 8.230 nan 0.000 0.457 808 G N 1.110 109.709 108.800 -0.335 0.000 2.198 808 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.257 808 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.257 808 G C -0.001 174.638 174.900 -0.435 0.000 1.042 808 G CA 0.183 45.121 45.100 -0.269 0.000 0.791 808 G HN 0.388 nan 8.290 nan 0.000 0.502 809 K N -1.685 118.153 120.400 -0.938 0.000 2.551 809 K HA 0.424 4.743 4.320 -0.000 0.000 0.269 809 K C -0.664 175.323 176.600 -1.022 0.000 0.949 809 K CA -1.058 54.802 56.287 -0.711 0.000 0.849 809 K CB 1.558 33.861 32.500 -0.328 0.000 1.411 809 K HN 0.100 nan 8.250 nan 0.000 0.432 810 W N 1.554 122.398 121.300 -0.759 0.000 2.184 810 W HA 0.241 4.901 4.660 -0.000 0.000 0.338 810 W C 0.520 176.720 176.519 -0.531 0.000 1.257 810 W CA 0.172 57.017 57.345 -0.833 0.000 1.243 810 W CB 0.487 28.976 29.460 -1.617 0.000 1.122 810 W HN 0.422 nan 8.180 nan 0.000 0.585 811 H N 0.865 119.749 119.070 -0.310 0.000 2.840 811 H HA 0.389 4.944 4.556 -0.000 0.000 0.340 811 H C -1.405 173.870 175.328 -0.089 0.000 1.004 811 H CA -0.805 55.048 56.048 -0.326 0.000 1.288 811 H CB 1.358 30.817 29.762 -0.506 0.000 1.607 811 H HN 0.177 nan 8.280 nan 0.000 0.522 812 V N 5.695 125.654 119.914 0.075 0.000 2.353 812 V HA 0.043 4.162 4.120 -0.000 0.000 0.264 812 V C 0.402 176.331 176.094 -0.276 0.000 1.049 812 V CA -0.096 62.184 62.300 -0.034 0.000 0.896 812 V CB 0.822 32.666 31.823 0.034 0.000 1.025 812 V HN 0.726 nan 8.190 nan 0.000 0.475 813 E N 3.969 123.953 120.200 -0.361 0.000 2.283 813 E HA 0.581 4.930 4.350 -0.000 0.000 0.278 813 E C 0.272 176.906 176.600 0.057 0.000 1.027 813 E CA -0.609 55.571 56.400 -0.366 0.000 0.843 813 E CB 1.320 30.903 29.700 -0.195 0.000 1.062 813 E HN 0.796 nan 8.360 nan 0.000 0.401 814 A N 3.109 125.967 122.820 0.064 0.000 2.498 814 A HA 0.541 4.860 4.320 -0.000 0.000 0.239 814 A C 0.566 178.207 177.584 0.094 0.000 1.068 814 A CA 0.792 52.902 52.037 0.121 0.000 0.766 814 A CB 0.231 19.287 19.000 0.092 0.000 1.003 814 A HN 0.817 nan 8.150 nan 0.000 0.497 815 G N 0.780 109.638 108.800 0.096 0.000 2.345 815 G HA2 0.420 4.380 3.960 -0.000 0.000 0.285 815 G HA3 0.420 4.380 3.960 -0.000 0.000 0.285 815 G C -1.595 173.227 174.900 -0.131 0.000 1.297 815 G CA -0.808 44.237 45.100 -0.090 0.000 0.875 815 G HN 0.671 nan 8.290 nan 0.000 0.506 816 E N -0.201 119.811 120.200 -0.314 0.000 2.179 816 E HA 0.646 4.996 4.350 -0.000 0.000 0.275 816 E C -1.333 174.932 176.600 -0.559 0.000 0.945 816 E CA -0.266 55.963 56.400 -0.284 0.000 0.792 816 E CB 1.947 31.542 29.700 -0.175 0.000 1.125 816 E HN 0.431 nan 8.360 nan 0.000 0.397 817 Y N 0.516 120.543 120.300 -0.455 0.000 2.576 817 Y HA 0.498 5.048 4.550 -0.000 0.000 0.346 817 Y C -0.498 175.110 175.900 -0.487 0.000 1.018 817 Y CA -1.160 56.643 58.100 -0.495 0.000 1.050 817 Y CB 1.791 39.830 38.460 -0.701 0.000 1.280 817 Y HN 0.331 nan 8.280 nan 0.000 0.474 818 L N 2.010 123.247 121.223 0.023 0.000 2.381 818 L HA 0.727 5.067 4.340 -0.000 0.000 0.274 818 L C -1.446 175.491 176.870 0.112 0.000 0.988 818 L CA -0.756 54.121 54.840 0.062 0.000 0.824 818 L CB 1.764 43.837 42.059 0.022 0.000 1.263 818 L HN 0.504 nan 8.230 nan 0.000 0.410 819 V N 4.701 124.633 119.914 0.030 0.000 2.439 819 V HA 0.689 4.809 4.120 -0.000 0.000 0.282 819 V C -0.381 175.596 176.094 -0.196 0.000 1.039 819 V CA 0.078 62.170 62.300 -0.347 0.000 0.913 819 V CB 1.666 33.134 31.823 -0.592 0.000 0.983 819 V HN 0.926 nan 8.190 nan 0.000 0.460 820 S N 5.344 120.964 115.700 -0.134 0.000 2.478 820 S HA 0.671 5.141 4.470 -0.000 0.000 0.312 820 S C -0.724 173.904 174.600 0.047 0.000 1.094 820 S CA -0.521 57.673 58.200 -0.011 0.000 1.081 820 S CB 1.686 64.918 63.200 0.053 0.000 1.007 820 S HN 0.658 nan 8.310 nan 0.000 0.475 821 V N 2.698 122.628 119.914 0.026 0.000 2.417 821 V HA 0.919 5.038 4.120 -0.000 0.000 0.291 821 V C 0.573 176.708 176.094 0.069 0.000 1.024 821 V CA -0.207 62.121 62.300 0.047 0.000 0.861 821 V CB 1.365 33.188 31.823 0.000 0.000 0.985 821 V HN 1.026 nan 8.190 nan 0.000 0.436 822 G N 1.940 110.804 108.800 0.107 0.000 2.645 822 G HA2 0.500 4.459 3.960 -0.000 0.000 0.292 822 G HA3 0.500 4.459 3.960 -0.000 0.000 0.292 822 G C 0.323 175.249 174.900 0.044 0.000 1.415 822 G CA 0.317 45.465 45.100 0.080 0.000 0.785 822 G HN 0.657 nan 8.290 nan 0.000 0.483 823 T N -2.763 111.790 114.554 -0.001 0.000 3.107 823 T HA 0.426 4.775 4.350 -0.000 0.000 0.249 823 T C 0.969 175.610 174.700 -0.099 0.000 1.096 823 T CA 1.086 63.138 62.100 -0.081 0.000 1.012 823 T CB -0.327 68.478 68.868 -0.107 0.000 0.977 823 T HN 1.621 nan 8.240 nan 0.000 0.527 824 S N -0.032 115.667 115.700 -0.001 0.000 2.672 824 S HA 0.461 4.931 4.470 -0.000 0.000 0.271 824 S C 1.028 175.666 174.600 0.064 0.000 1.171 824 S CA -0.040 58.173 58.200 0.022 0.000 0.817 824 S CB 1.067 64.315 63.200 0.079 0.000 1.150 824 S HN 0.237 nan 8.310 nan 0.000 0.478 825 S N 0.194 115.910 115.700 0.028 0.000 2.419 825 S HA -0.107 4.363 4.470 -0.000 0.000 0.233 825 S C 0.801 175.272 174.600 -0.215 0.000 1.016 825 S CA 1.614 59.644 58.200 -0.284 0.000 0.974 825 S CB -0.764 62.307 63.200 -0.214 0.000 0.786 825 S HN 0.683 nan 8.310 nan 0.000 0.492 826 D N 2.063 122.435 120.400 -0.045 0.000 2.197 826 D HA 0.071 4.711 4.640 -0.000 0.000 0.212 826 D C -0.087 176.210 176.300 -0.004 0.000 0.963 826 D CA 0.851 54.840 54.000 -0.018 0.000 0.864 826 D CB -0.650 40.164 40.800 0.022 0.000 1.009 826 D HN 0.456 nan 8.370 nan 0.000 0.479 827 D N 1.137 121.555 120.400 0.031 0.000 2.671 827 D HA 0.052 4.692 4.640 -0.000 0.000 0.228 827 D C -0.154 176.161 176.300 0.025 0.000 1.102 827 D CA 0.029 54.052 54.000 0.039 0.000 1.044 827 D CB 0.066 40.902 40.800 0.060 0.000 1.113 827 D HN 0.025 nan 8.370 nan 0.000 0.480 828 I N 1.529 122.106 120.570 0.012 0.000 2.416 828 I HA 0.078 4.248 4.170 -0.000 0.000 0.288 828 I C 1.075 177.202 176.117 0.016 0.000 1.051 828 I CA -0.038 61.273 61.300 0.017 0.000 1.375 828 I CB 1.192 39.191 38.000 -0.000 0.000 1.407 828 I HN 0.350 nan 8.210 nan 0.000 0.516 829 L N 3.992 125.226 121.223 0.019 0.000 2.878 829 L HA 0.230 4.570 4.340 -0.000 0.000 0.253 829 L C 0.429 177.302 176.870 0.006 0.000 1.135 829 L CA 0.286 55.135 54.840 0.014 0.000 0.943 829 L CB 0.564 42.635 42.059 0.020 0.000 1.307 829 L HN 0.640 nan 8.230 nan 0.000 0.545 830 S N 0.144 115.844 115.700 -0.001 0.000 2.563 830 S HA 0.554 5.023 4.470 -0.000 0.000 0.279 830 S C -1.123 173.456 174.600 -0.037 0.000 1.155 830 S CA -0.577 57.613 58.200 -0.016 0.000 0.928 830 S CB 1.542 64.735 63.200 -0.012 0.000 1.107 830 S HN -0.010 nan 8.310 nan 0.000 0.462 831 V N 1.917 121.799 119.914 -0.053 0.000 3.001 831 V HA 0.925 5.045 4.120 -0.000 0.000 0.314 831 V C -1.009 175.005 176.094 -0.134 0.000 1.099 831 V CA -0.815 61.436 62.300 -0.082 0.000 0.989 831 V CB 1.947 33.739 31.823 -0.052 0.000 1.040 831 V HN 0.950 nan 8.190 nan 0.000 0.434 832 K N 1.300 121.581 120.400 -0.199 0.000 2.501 832 K HA 0.541 4.860 4.320 -0.000 0.000 0.252 832 K C -1.091 175.434 176.600 -0.126 0.000 0.934 832 K CA -0.469 55.657 56.287 -0.269 0.000 0.797 832 K CB 2.237 34.350 32.500 -0.645 0.000 1.270 832 K HN 1.076 nan 8.250 nan 0.000 0.431 833 E N 3.761 123.942 120.200 -0.032 0.000 2.283 833 E HA 0.446 4.796 4.350 -0.000 0.000 0.278 833 E C -1.246 175.503 176.600 0.249 0.000 1.027 833 E CA -0.340 56.098 56.400 0.063 0.000 0.843 833 E CB 0.485 30.195 29.700 0.017 0.000 1.062 833 E HN 0.384 nan 8.360 nan 0.000 0.401 834 F N 0.946 120.977 119.950 0.135 0.000 2.662 834 F HA 0.599 5.126 4.527 -0.000 0.000 0.312 834 F C -1.085 174.860 175.800 0.241 0.000 1.113 834 F CA -1.364 56.776 58.000 0.233 0.000 0.951 834 F CB 1.281 40.528 39.000 0.411 0.000 1.344 834 F HN 0.407 nan 8.300 nan 0.000 0.462 835 K N 1.378 121.982 120.400 0.340 0.000 2.203 835 K HA 0.787 5.107 4.320 -0.000 0.000 0.251 835 K C -2.100 174.679 176.600 0.299 0.000 0.944 835 K CA -0.832 55.579 56.287 0.208 0.000 0.829 835 K CB 2.282 34.873 32.500 0.152 0.000 1.125 835 K HN 0.708 nan 8.250 nan 0.000 0.430 836 V N 4.830 124.897 119.914 0.255 0.000 2.376 836 V HA 0.170 4.290 4.120 -0.000 0.000 0.287 836 V C 0.380 176.570 176.094 0.159 0.000 1.015 836 V CA -0.526 61.913 62.300 0.231 0.000 0.834 836 V CB 1.295 33.270 31.823 0.253 0.000 1.001 836 V HN 0.987 nan 8.190 nan 0.000 0.428 837 E N 3.247 123.518 120.200 0.119 0.000 2.307 837 E HA 0.070 4.420 4.350 -0.000 0.000 0.195 837 E C 0.689 177.336 176.600 0.077 0.000 0.975 837 E CA -0.150 56.304 56.400 0.090 0.000 0.878 837 E CB 0.902 30.647 29.700 0.075 0.000 0.845 837 E HN 0.480 nan 8.360 nan 0.000 0.488 838 K N 2.807 123.249 120.400 0.069 0.000 2.273 838 K HA 0.056 4.376 4.320 -0.000 0.000 0.287 838 K C -0.227 176.405 176.600 0.052 0.000 1.089 838 K CA -0.135 56.185 56.287 0.054 0.000 0.909 838 K CB 0.645 33.166 32.500 0.036 0.000 1.123 838 K HN 0.066 nan 8.250 nan 0.000 0.473 839 E N 4.434 124.672 120.200 0.062 0.000 2.366 839 E HA 0.201 4.551 4.350 -0.000 0.000 0.266 839 E C -1.281 175.343 176.600 0.041 0.000 1.051 839 E CA -0.650 55.781 56.400 0.053 0.000 0.884 839 E CB 0.806 30.565 29.700 0.098 0.000 1.006 839 E HN 0.397 nan 8.360 nan 0.000 0.417 840 L N 3.809 125.043 121.223 0.018 0.000 2.526 840 L HA 0.400 4.739 4.340 -0.000 0.000 0.263 840 L C -2.173 174.750 176.870 0.089 0.000 0.943 840 L CA -0.497 54.392 54.840 0.082 0.000 0.859 840 L CB 1.516 43.640 42.059 0.110 0.000 1.313 840 L HN 0.577 nan 8.230 nan 0.000 0.406 841 Y N 4.755 125.216 120.300 0.269 0.000 2.360 841 Y HA 0.778 5.328 4.550 -0.000 0.000 0.337 841 Y C -0.459 175.633 175.900 0.320 0.000 1.039 841 Y CA -0.063 58.151 58.100 0.190 0.000 1.109 841 Y CB 1.470 39.932 38.460 0.003 0.000 1.201 841 Y HN 0.679 nan 8.280 nan 0.000 0.458 842 W N 1.416 122.879 121.300 0.272 0.000 3.005 842 W HA 0.728 5.387 4.660 -0.000 0.000 0.343 842 W C -2.112 174.620 176.519 0.354 0.000 1.243 842 W CA -1.224 56.262 57.345 0.236 0.000 1.186 842 W CB 1.366 30.917 29.460 0.152 0.000 1.453 842 W HN 0.432 nan 8.180 nan 0.000 0.575 843 K N 0.354 121.078 120.400 0.539 0.000 2.283 843 K HA 0.648 4.968 4.320 -0.000 0.000 0.257 843 K C 0.189 177.174 176.600 0.641 0.000 1.066 843 K CA -0.222 56.357 56.287 0.488 0.000 0.891 843 K CB 2.138 34.828 32.500 0.317 0.000 1.438 843 K HN 0.953 nan 8.250 nan 0.000 0.464 844 G N 0.215 109.371 108.800 0.594 0.000 2.553 844 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.242 844 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.242 844 G C -0.959 174.172 174.900 0.384 0.000 1.277 844 G CA -0.496 44.917 45.100 0.521 0.000 0.910 844 G HN 0.222 nan 8.290 nan 0.000 0.576 845 L N 0.000 121.308 121.223 0.142 0.000 2.949 845 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 845 L CA 0.000 54.780 54.840 -0.100 0.000 0.813 845 L CB 0.000 41.959 42.059 -0.167 0.000 0.961 845 L HN 0.000 nan 8.230 nan 0.000 0.502