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 3cia_1_B DATA FIRST_RESID 38 DATA SEQUENCE LTDAYTYANY DQVKATHVYL DLNVDFDKKS LSGFAELSLD WFTDNKAPLI DATA SEQUENCE LDTRDLVIHR VMAKNSQGQW VKVNYDLAKR DDVLGSKLTI NTPLNAKKVR DATA SEQUENCE VYYNSTEKAT GLQWLSAEQT AGKEKPFLFS QNQAIHARSW IPIQDTPSVR DATA SEQUENCE VTYTARITTD KDLLAVMSAN NXXXXXRDGD YFFSMPQAIP PYLIAIGVGD DATA SEQUENCE LEFKAMSHQT GIYAESYILD AAVAEFDDTQ AMIDKAEQMY GKYRWGRYDL DATA SEQUENCE LMLPPSFPFG GMENPRLSFI TPTVVAGDKS LVNLIAHELA HSWSGNLVTN DATA SEQUENCE ESWRDLWLNE GFTSYVENRI MEAVFGTDRA VMEQALGAQD LNAEILELDA DATA SEQUENCE SDTQLYIDLK GRDPDDAFSG VPYVKGQLFL MYLEEKFGRE RFDAFVLEYF DATA SEQUENCE DSHAFQSLGT DNFVKYLKAN LTDKYPNIVS DNEINEWIFK AGLPSYAPQP DATA SEQUENCE TSNAFKVIDK QINQLVTDEL TLEQLPTAQW TLHEWLHFIN NLPVDXXXXX DATA SEQUENCE XVNLDKAFDL TNSSNAEIAH AWYLLSVRAD YKEVYPAMAK YLKSIGRRKL DATA SEQUENCE IVPLYKELAK NAESKAWAVE VYKQARPGYH GLAQGTVDGV LK 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 38 L HA 0.000 nan 4.340 nan 0.000 0.249 38 L C 0.000 176.865 176.870 -0.009 0.000 1.165 38 L CA 0.000 54.721 54.840 -0.198 0.000 0.813 38 L CB 0.000 41.903 42.059 -0.259 0.000 0.961 39 T N -3.364 111.241 114.554 0.086 0.000 3.160 39 T HA 0.097 4.447 4.350 -0.000 0.000 0.257 39 T C 0.510 175.286 174.700 0.126 0.000 1.147 39 T CA 0.191 62.353 62.100 0.104 0.000 1.064 39 T CB -0.005 68.931 68.868 0.113 0.000 0.949 39 T HN 0.253 nan 8.240 nan 0.000 0.526 40 D N 1.280 121.780 120.400 0.167 0.000 2.349 40 D HA 0.615 5.255 4.640 -0.000 0.000 0.232 40 D C 0.126 176.528 176.300 0.170 0.000 1.071 40 D CA -0.529 53.572 54.000 0.167 0.000 0.832 40 D CB 1.169 42.054 40.800 0.141 0.000 1.086 40 D HN 0.225 nan 8.370 nan 0.000 0.504 41 A N 3.009 125.925 122.820 0.160 0.000 2.267 41 A HA 0.322 4.642 4.320 -0.000 0.000 0.276 41 A C 0.148 177.856 177.584 0.205 0.000 1.336 41 A CA 0.157 52.247 52.037 0.089 0.000 0.815 41 A CB -0.196 18.774 19.000 -0.050 0.000 1.256 41 A HN 0.833 nan 8.150 nan 0.000 0.512 42 Y N -2.815 117.463 120.300 -0.037 0.000 4.897 42 Y HA -0.205 4.345 4.550 -0.000 0.000 0.263 42 Y C 0.914 176.730 175.900 -0.141 0.000 0.945 42 Y CA 1.569 59.625 58.100 -0.074 0.000 1.858 42 Y CB -1.702 36.798 38.460 0.067 0.000 1.296 42 Y HN 0.871 nan 8.280 nan 0.000 0.490 43 T N -0.918 113.646 114.554 0.016 0.000 2.812 43 T HA 0.510 4.860 4.350 -0.000 0.000 0.282 43 T C 0.189 174.904 174.700 0.025 0.000 0.990 43 T CA -0.446 61.674 62.100 0.033 0.000 0.960 43 T CB 0.611 69.574 68.868 0.160 0.000 0.948 43 T HN 0.112 nan 8.240 nan 0.000 0.438 44 Y N 3.010 123.362 120.300 0.087 0.000 2.523 44 Y HA 0.433 4.983 4.550 -0.000 0.000 0.279 44 Y C 1.869 177.811 175.900 0.069 0.000 1.139 44 Y CA -0.125 58.011 58.100 0.061 0.000 1.296 44 Y CB -0.338 38.151 38.460 0.048 0.000 1.045 44 Y HN 0.821 nan 8.280 nan 0.000 0.538 45 A N 2.209 125.174 122.820 0.242 0.000 2.537 45 A HA -0.023 4.297 4.320 -0.000 0.000 0.260 45 A C 0.582 178.277 177.584 0.185 0.000 1.082 45 A CA -0.131 52.025 52.037 0.197 0.000 0.765 45 A CB -0.495 18.613 19.000 0.180 0.000 1.019 45 A HN 0.486 nan 8.150 nan 0.000 0.507 46 N N 3.387 122.151 118.700 0.107 0.000 3.254 46 N HA -0.034 4.706 4.740 -0.000 0.000 0.308 46 N C 0.180 175.693 175.510 0.005 0.000 1.281 46 N CA -0.050 53.014 53.050 0.023 0.000 1.212 46 N CB -0.585 37.929 38.487 0.045 0.000 1.478 46 N HN 0.790 nan 8.380 nan 0.000 0.548 47 Y N -1.828 118.465 120.300 -0.013 0.000 2.688 47 Y HA 0.045 4.594 4.550 -0.000 0.000 0.311 47 Y C 1.428 177.284 175.900 -0.074 0.000 1.185 47 Y CA -0.280 57.796 58.100 -0.041 0.000 1.336 47 Y CB -0.285 38.145 38.460 -0.050 0.000 1.015 47 Y HN 0.142 nan 8.280 nan 0.000 0.522 48 D N 1.158 121.435 120.400 -0.205 0.000 2.117 48 D HA -0.203 4.437 4.640 -0.000 0.000 0.198 48 D C 1.873 178.143 176.300 -0.050 0.000 0.982 48 D CA 2.152 56.042 54.000 -0.182 0.000 0.828 48 D CB 0.050 40.760 40.800 -0.150 0.000 0.967 48 D HN 0.740 nan 8.370 nan 0.000 0.464 49 Q N -1.035 118.822 119.800 0.094 0.000 2.288 49 Q HA 0.231 4.571 4.340 -0.000 0.000 0.256 49 Q C 0.028 176.250 176.000 0.369 0.000 0.835 49 Q CA -0.137 55.844 55.803 0.296 0.000 0.958 49 Q CB 1.299 30.194 28.738 0.262 0.000 1.125 49 Q HN 0.091 nan 8.270 nan 0.000 0.513 50 V N 1.236 121.185 119.914 0.058 0.000 2.656 50 V HA 0.531 4.651 4.120 -0.000 0.000 0.307 50 V C -1.690 174.379 176.094 -0.042 0.000 1.051 50 V CA -0.562 61.501 62.300 -0.396 0.000 0.893 50 V CB 2.068 33.235 31.823 -1.092 0.000 0.999 50 V HN 0.157 nan 8.190 nan 0.000 0.426 51 K N 4.829 125.216 120.400 -0.022 0.000 2.541 51 K HA 0.732 5.052 4.320 -0.000 0.000 0.250 51 K C -0.514 176.045 176.600 -0.069 0.000 0.950 51 K CA -0.421 55.905 56.287 0.065 0.000 0.805 51 K CB 1.995 34.692 32.500 0.329 0.000 1.166 51 K HN 0.876 nan 8.250 nan 0.000 0.430 52 A N 1.529 124.308 122.820 -0.069 0.000 2.488 52 A HA 0.129 4.449 4.320 -0.000 0.000 0.249 52 A C 1.040 178.619 177.584 -0.009 0.000 1.083 52 A CA 0.237 52.244 52.037 -0.049 0.000 0.768 52 A CB 0.065 19.036 19.000 -0.048 0.000 1.017 52 A HN 0.850 nan 8.150 nan 0.000 0.496 53 T N -0.698 113.871 114.554 0.025 0.000 3.001 53 T HA 0.309 4.659 4.350 -0.000 0.000 0.251 53 T C 0.347 175.126 174.700 0.132 0.000 1.040 53 T CA 0.757 62.890 62.100 0.055 0.000 0.985 53 T CB -0.274 68.619 68.868 0.042 0.000 1.011 53 T HN 0.878 nan 8.240 nan 0.000 0.509 54 H N -0.705 118.379 119.070 0.024 0.000 3.017 54 H HA 0.683 5.239 4.556 -0.000 0.000 0.346 54 H C -2.140 173.231 175.328 0.072 0.000 1.286 54 H CA -0.713 55.369 56.048 0.058 0.000 1.120 54 H CB 2.249 32.058 29.762 0.078 0.000 1.860 54 H HN 0.026 nan 8.280 nan 0.000 0.542 55 V N 3.620 123.176 119.914 -0.596 0.000 2.532 55 V HA 0.150 4.270 4.120 -0.000 0.000 0.294 55 V C -1.349 174.551 176.094 -0.323 0.000 1.036 55 V CA -0.728 61.389 62.300 -0.305 0.000 0.876 55 V CB 1.180 32.856 31.823 -0.245 0.000 1.012 55 V HN 0.740 nan 8.190 nan 0.000 0.432 56 Y N 6.118 126.343 120.300 -0.124 0.000 2.367 56 Y HA 0.628 5.178 4.550 -0.000 0.000 0.342 56 Y C -0.743 175.105 175.900 -0.088 0.000 0.979 56 Y CA -0.676 57.408 58.100 -0.026 0.000 1.161 56 Y CB 0.904 39.467 38.460 0.172 0.000 1.155 56 Y HN 0.433 nan 8.280 nan 0.000 0.503 57 L N 6.728 127.507 121.223 -0.741 0.000 2.282 57 L HA 0.256 4.596 4.340 -0.000 0.000 0.288 57 L C -0.355 175.908 176.870 -1.011 0.000 1.033 57 L CA -0.276 54.160 54.840 -0.674 0.000 0.807 57 L CB 1.414 43.273 42.059 -0.334 0.000 1.209 57 L HN 0.727 nan 8.230 nan 0.000 0.423 58 D N 4.446 124.207 120.400 -1.063 0.000 2.505 58 D HA 0.274 4.914 4.640 -0.000 0.000 0.242 58 D C -0.852 175.189 176.300 -0.432 0.000 1.136 58 D CA -0.327 53.181 54.000 -0.819 0.000 0.954 58 D CB 0.812 40.959 40.800 -1.089 0.000 1.002 58 D HN 0.144 nan 8.370 nan 0.000 0.512 59 L N 2.125 123.203 121.223 -0.242 0.000 2.333 59 L HA 0.439 4.779 4.340 -0.000 0.000 0.269 59 L C 0.275 177.119 176.870 -0.044 0.000 1.010 59 L CA -0.860 53.903 54.840 -0.128 0.000 0.818 59 L CB 1.531 43.552 42.059 -0.062 0.000 1.306 59 L HN 0.229 nan 8.230 nan 0.000 0.430 60 N N 0.167 118.853 118.700 -0.023 0.000 2.392 60 N HA 0.410 5.150 4.740 -0.000 0.000 0.283 60 N C -1.113 174.399 175.510 0.004 0.000 1.003 60 N CA -0.416 52.639 53.050 0.008 0.000 0.892 60 N CB 1.697 40.194 38.487 0.016 0.000 1.193 60 N HN 0.274 nan 8.380 nan 0.000 0.487 61 V N 3.289 123.203 119.914 -0.000 0.000 2.322 61 V HA 0.153 4.273 4.120 -0.000 0.000 0.258 61 V C -0.004 176.046 176.094 -0.073 0.000 1.074 61 V CA -0.522 61.744 62.300 -0.057 0.000 0.909 61 V CB 0.190 31.922 31.823 -0.152 0.000 1.090 61 V HN 0.672 nan 8.190 nan 0.000 0.486 62 D N 3.922 124.287 120.400 -0.058 0.000 2.428 62 D HA 0.209 4.849 4.640 -0.000 0.000 0.221 62 D C 0.572 176.766 176.300 -0.178 0.000 1.123 62 D CA -0.388 53.567 54.000 -0.075 0.000 0.869 62 D CB 0.947 41.702 40.800 -0.074 0.000 1.032 62 D HN 0.358 nan 8.370 nan 0.000 0.506 63 F N 1.619 121.624 119.950 0.091 0.000 2.604 63 F HA -0.030 4.497 4.527 -0.000 0.000 0.298 63 F C 1.871 177.625 175.800 -0.077 0.000 1.131 63 F CA 0.360 58.410 58.000 0.083 0.000 1.457 63 F CB 0.266 39.376 39.000 0.182 0.000 1.095 63 F HN 0.320 nan 8.300 nan 0.000 0.574 64 D N -0.211 120.224 120.400 0.060 0.000 2.183 64 D HA -0.045 4.595 4.640 -0.000 0.000 0.205 64 D C 1.854 178.087 176.300 -0.112 0.000 0.962 64 D CA 0.951 54.946 54.000 -0.007 0.000 0.849 64 D CB -0.070 40.735 40.800 0.007 0.000 0.978 64 D HN 0.224 nan 8.370 nan 0.000 0.488 65 K N 0.699 120.990 120.400 -0.182 0.000 2.374 65 K HA 0.109 4.429 4.320 -0.000 0.000 0.196 65 K C -0.011 176.316 176.600 -0.454 0.000 1.023 65 K CA -0.106 56.040 56.287 -0.235 0.000 1.103 65 K CB 0.819 33.223 32.500 -0.160 0.000 0.848 65 K HN 0.030 nan 8.250 nan 0.000 0.528 66 K N 2.046 121.993 120.400 -0.756 0.000 3.278 66 K HA -0.166 4.154 4.320 -0.000 0.000 0.270 66 K C -0.416 175.286 176.600 -1.497 0.000 0.955 66 K CA 0.700 55.901 56.287 -1.810 0.000 0.723 66 K CB -1.801 29.787 32.500 -1.521 0.000 1.382 66 K HN 0.426 nan 8.250 nan 0.000 0.461 67 S N -0.431 114.782 115.700 -0.811 0.000 2.546 67 S HA 0.699 5.169 4.470 -0.000 0.000 0.274 67 S C -0.549 174.072 174.600 0.036 0.000 1.121 67 S CA -1.254 56.820 58.200 -0.211 0.000 0.887 67 S CB 1.754 64.870 63.200 -0.139 0.000 1.094 67 S HN 0.227 nan 8.310 nan 0.000 0.474 68 L N 3.096 124.413 121.223 0.156 0.000 2.282 68 L HA 0.691 5.031 4.340 -0.000 0.000 0.288 68 L C -0.239 176.634 176.870 0.004 0.000 1.033 68 L CA -0.575 54.323 54.840 0.097 0.000 0.807 68 L CB 1.706 43.849 42.059 0.140 0.000 1.209 68 L HN 0.932 nan 8.230 nan 0.000 0.423 69 S N 1.189 116.861 115.700 -0.047 0.000 2.614 69 S HA 0.937 5.407 4.470 -0.000 0.000 0.288 69 S C -0.140 174.406 174.600 -0.090 0.000 1.137 69 S CA -0.083 58.064 58.200 -0.089 0.000 0.992 69 S CB 2.449 65.662 63.200 0.022 0.000 1.026 69 S HN 0.925 nan 8.310 nan 0.000 0.486 70 G N 1.779 110.484 108.800 -0.158 0.000 2.483 70 G HA2 0.483 4.443 3.960 -0.000 0.000 0.090 70 G HA3 0.483 4.443 3.960 -0.000 0.000 0.090 70 G C -1.239 173.691 174.900 0.049 0.000 0.984 70 G CA 0.115 45.197 45.100 -0.030 0.000 1.325 70 G HN 1.686 nan 8.290 nan 0.000 0.561 71 F N -0.638 119.203 119.950 -0.182 0.000 2.725 71 F HA 0.849 5.376 4.527 -0.000 0.000 0.309 71 F C -0.795 175.007 175.800 0.003 0.000 1.132 71 F CA -1.105 56.814 58.000 -0.136 0.000 0.957 71 F CB 1.098 39.813 39.000 -0.474 0.000 1.286 71 F HN 1.142 nan 8.300 nan 0.000 0.440 72 A N 1.907 124.943 122.820 0.361 0.000 2.303 72 A HA 0.655 4.975 4.320 -0.000 0.000 0.320 72 A C -0.975 176.764 177.584 0.259 0.000 1.192 72 A CA -0.521 51.627 52.037 0.186 0.000 0.821 72 A CB 1.128 20.179 19.000 0.085 0.000 1.188 72 A HN 0.881 nan 8.150 nan 0.000 0.492 73 E N 3.673 124.046 120.200 0.289 0.000 2.183 73 E HA 0.416 4.766 4.350 -0.000 0.000 0.250 73 E C -1.018 175.737 176.600 0.260 0.000 0.901 73 E CA -0.544 56.066 56.400 0.351 0.000 0.741 73 E CB 0.478 30.498 29.700 0.532 0.000 1.182 73 E HN 0.575 nan 8.360 nan 0.000 0.425 74 L N 2.438 123.774 121.223 0.189 0.000 2.395 74 L HA 0.386 4.726 4.340 -0.000 0.000 0.269 74 L C 0.111 177.084 176.870 0.172 0.000 1.133 74 L CA -0.261 54.654 54.840 0.125 0.000 0.812 74 L CB 1.350 43.446 42.059 0.063 0.000 1.125 74 L HN 0.499 nan 8.230 nan 0.000 0.452 75 S N 3.648 119.436 115.700 0.147 0.000 2.478 75 S HA 0.718 5.188 4.470 -0.000 0.000 0.312 75 S C -0.209 174.432 174.600 0.068 0.000 1.094 75 S CA -0.580 57.705 58.200 0.141 0.000 1.081 75 S CB 1.671 64.980 63.200 0.181 0.000 1.007 75 S HN 0.343 nan 8.310 nan 0.000 0.475 76 L N 2.011 123.262 121.223 0.047 0.000 2.313 76 L HA 0.695 5.035 4.340 -0.000 0.000 0.268 76 L C -0.864 175.945 176.870 -0.103 0.000 1.010 76 L CA -1.014 53.780 54.840 -0.077 0.000 0.814 76 L CB 1.408 43.385 42.059 -0.137 0.000 1.304 76 L HN 0.402 nan 8.230 nan 0.000 0.441 77 D N 0.250 120.468 120.400 -0.304 0.000 2.505 77 D HA 0.409 5.049 4.640 -0.000 0.000 0.250 77 D C -1.425 174.393 176.300 -0.805 0.000 1.164 77 D CA -0.074 53.694 54.000 -0.385 0.000 0.870 77 D CB 1.112 41.720 40.800 -0.321 0.000 1.160 77 D HN 0.173 nan 8.370 nan 0.000 0.549 78 W N 2.849 123.818 121.300 -0.552 0.000 2.449 78 W HA 0.389 5.049 4.660 -0.000 0.000 0.331 78 W C 0.482 176.582 176.519 -0.698 0.000 1.119 78 W CA -0.747 56.294 57.345 -0.508 0.000 1.240 78 W CB 0.541 29.885 29.460 -0.193 0.000 1.251 78 W HN 0.434 nan 8.180 nan 0.000 0.576 79 F N -0.485 119.596 119.950 0.218 0.000 2.637 79 F HA 0.098 4.625 4.527 -0.000 0.000 0.284 79 F C 1.396 177.276 175.800 0.133 0.000 1.105 79 F CA -0.219 57.858 58.000 0.129 0.000 1.356 79 F CB -0.562 38.478 39.000 0.068 0.000 1.096 79 F HN 0.046 nan 8.300 nan 0.000 0.616 80 T N -1.272 113.478 114.554 0.327 0.000 2.806 80 T HA 0.166 4.516 4.350 -0.000 0.000 0.290 80 T C 0.572 175.355 174.700 0.139 0.000 0.966 80 T CA -0.590 61.640 62.100 0.216 0.000 1.060 80 T CB 1.332 70.329 68.868 0.216 0.000 0.927 80 T HN 0.097 nan 8.240 nan 0.000 0.485 81 D N 1.925 122.374 120.400 0.081 0.000 2.264 81 D HA -0.065 4.575 4.640 -0.000 0.000 0.208 81 D C 0.747 177.043 176.300 -0.007 0.000 0.966 81 D CA 0.797 54.814 54.000 0.027 0.000 0.864 81 D CB 0.198 41.010 40.800 0.021 0.000 0.933 81 D HN 0.697 nan 8.370 nan 0.000 0.499 82 N N 1.101 119.808 118.700 0.012 0.000 2.472 82 N HA 0.117 4.857 4.740 -0.000 0.000 0.289 82 N C -0.081 175.411 175.510 -0.030 0.000 1.156 82 N CA -0.449 52.595 53.050 -0.011 0.000 0.940 82 N CB 1.642 40.135 38.487 0.010 0.000 1.200 82 N HN -0.210 nan 8.380 nan 0.000 0.511 83 K N 0.078 120.442 120.400 -0.060 0.000 2.485 83 K HA 0.294 4.614 4.320 -0.000 0.000 0.277 83 K C -0.414 176.175 176.600 -0.018 0.000 0.990 83 K CA 0.210 56.441 56.287 -0.093 0.000 0.994 83 K CB 0.366 32.821 32.500 -0.075 0.000 0.906 83 K HN 0.778 nan 8.250 nan 0.000 0.488 84 A N 4.214 127.031 122.820 -0.006 0.000 2.594 84 A HA 0.568 4.888 4.320 -0.000 0.000 0.295 84 A C -2.766 174.955 177.584 0.229 0.000 1.071 84 A CA -1.369 50.767 52.037 0.166 0.000 0.685 84 A CB 1.507 20.706 19.000 0.330 0.000 1.285 84 A HN 0.400 nan 8.150 nan 0.000 0.405 85 P HA 0.429 nan 4.420 nan 0.000 0.278 85 P C -0.829 176.690 177.300 0.365 0.000 1.266 85 P CA -0.612 62.638 63.100 0.248 0.000 0.807 85 P CB 0.677 32.469 31.700 0.153 0.000 1.094 86 L N 2.563 123.976 121.223 0.317 0.000 2.262 86 L HA 0.444 4.784 4.340 -0.000 0.000 0.288 86 L C -0.844 176.107 176.870 0.134 0.000 1.035 86 L CA -0.504 54.470 54.840 0.222 0.000 0.820 86 L CB -0.189 42.007 42.059 0.228 0.000 1.204 86 L HN 0.299 nan 8.230 nan 0.000 0.424 87 I N 6.086 126.716 120.570 0.099 0.000 2.336 87 I HA 0.382 4.552 4.170 -0.000 0.000 0.292 87 I C -0.299 175.866 176.117 0.079 0.000 0.991 87 I CA -0.500 60.853 61.300 0.089 0.000 1.227 87 I CB 1.637 39.697 38.000 0.100 0.000 1.366 87 I HN 0.493 nan 8.210 nan 0.000 0.466 88 L N 4.716 125.981 121.223 0.069 0.000 2.333 88 L HA 0.543 4.883 4.340 -0.000 0.000 0.263 88 L C -0.657 176.268 176.870 0.092 0.000 1.014 88 L CA -0.994 53.876 54.840 0.050 0.000 0.820 88 L CB 2.245 44.300 42.059 -0.007 0.000 1.352 88 L HN 0.481 nan 8.230 nan 0.000 0.421 89 D N 0.369 120.814 120.400 0.076 0.000 2.225 89 D HA 0.493 5.133 4.640 -0.000 0.000 0.249 89 D C -0.499 175.826 176.300 0.042 0.000 1.052 89 D CA 0.187 54.259 54.000 0.119 0.000 0.909 89 D CB 2.411 43.257 40.800 0.077 0.000 1.186 89 D HN 0.387 nan 8.370 nan 0.000 0.431 90 T N 0.257 114.859 114.554 0.081 0.000 2.792 90 T HA 0.367 4.716 4.350 -0.000 0.000 0.303 90 T C 0.206 174.955 174.700 0.081 0.000 1.310 90 T CA -0.495 61.623 62.100 0.030 0.000 1.007 90 T CB 2.810 71.680 68.868 0.002 0.000 1.335 90 T HN 0.433 nan 8.240 nan 0.000 0.504 91 R N -0.086 120.460 120.500 0.076 0.000 3.815 91 R HA 0.354 4.694 4.340 -0.000 0.000 0.133 91 R C -0.745 175.615 176.300 0.100 0.000 1.740 91 R CA -0.096 56.067 56.100 0.106 0.000 1.270 91 R CB 0.535 30.913 30.300 0.129 0.000 1.340 91 R HN 0.471 nan 8.270 nan 0.000 0.449 92 D N 1.622 122.085 120.400 0.105 0.000 2.886 92 D HA 0.238 4.878 4.640 -0.000 0.000 0.355 92 D C -1.242 175.114 176.300 0.094 0.000 1.274 92 D CA -0.137 53.918 54.000 0.092 0.000 0.836 92 D CB 1.139 41.997 40.800 0.096 0.000 1.109 92 D HN -0.010 nan 8.370 nan 0.000 0.488 93 L N 0.688 121.958 121.223 0.079 0.000 2.309 93 L HA 0.355 4.695 4.340 -0.000 0.000 0.282 93 L C -0.081 176.816 176.870 0.045 0.000 1.036 93 L CA -0.819 54.069 54.840 0.079 0.000 0.806 93 L CB 2.044 44.114 42.059 0.018 0.000 1.220 93 L HN -0.131 nan 8.230 nan 0.000 0.429 94 V N 4.981 124.912 119.914 0.028 0.000 2.350 94 V HA 0.397 4.517 4.120 -0.000 0.000 0.276 94 V C 0.034 175.999 176.094 -0.214 0.000 1.028 94 V CA -0.702 61.574 62.300 -0.041 0.000 0.860 94 V CB 1.263 33.083 31.823 -0.005 0.000 0.990 94 V HN 0.378 nan 8.190 nan 0.000 0.453 95 I N 4.605 125.100 120.570 -0.125 0.000 2.396 95 I HA 0.388 4.558 4.170 -0.000 0.000 0.292 95 I C 0.852 176.958 176.117 -0.019 0.000 0.999 95 I CA 0.092 61.293 61.300 -0.165 0.000 1.310 95 I CB 0.710 38.560 38.000 -0.250 0.000 1.404 95 I HN 0.706 nan 8.210 nan 0.000 0.496 96 H N 4.255 123.417 119.070 0.153 0.000 2.594 96 H HA 0.347 4.903 4.556 -0.000 0.000 0.274 96 H C 0.518 175.947 175.328 0.168 0.000 0.982 96 H CA -0.205 55.935 56.048 0.153 0.000 1.228 96 H CB 1.194 31.039 29.762 0.139 0.000 1.447 96 H HN 0.524 nan 8.280 nan 0.000 0.485 97 R N 0.614 121.295 120.500 0.301 0.000 2.858 97 R HA 0.318 4.658 4.340 -0.000 0.000 0.252 97 R C -2.537 173.936 176.300 0.287 0.000 1.063 97 R CA -0.401 55.865 56.100 0.276 0.000 0.955 97 R CB 1.203 31.584 30.300 0.134 0.000 1.259 97 R HN -0.037 nan 8.270 nan 0.000 0.477 98 V N 4.791 124.863 119.914 0.263 0.000 2.588 98 V HA 0.624 4.744 4.120 -0.000 0.000 0.304 98 V C -0.269 175.986 176.094 0.267 0.000 1.042 98 V CA -0.807 61.633 62.300 0.234 0.000 0.877 98 V CB 1.827 33.740 31.823 0.150 0.000 0.996 98 V HN 0.652 nan 8.190 nan 0.000 0.425 99 M N 3.188 122.971 119.600 0.304 0.000 2.644 99 M HA 0.910 5.389 4.480 -0.000 0.000 0.304 99 M C -0.371 176.192 176.300 0.438 0.000 1.215 99 M CA -0.550 54.970 55.300 0.367 0.000 0.871 99 M CB 2.231 35.087 32.600 0.426 0.000 1.740 99 M HN 0.754 nan 8.290 nan 0.000 0.464 100 A N 1.164 124.178 122.820 0.324 0.000 2.498 100 A HA 0.697 5.017 4.320 -0.000 0.000 0.298 100 A C -1.053 176.417 177.584 -0.191 0.000 1.075 100 A CA -0.834 51.268 52.037 0.109 0.000 0.714 100 A CB 1.646 20.694 19.000 0.080 0.000 1.299 100 A HN 0.784 nan 8.150 nan 0.000 0.407 101 K N 2.026 122.085 120.400 -0.569 0.000 2.273 101 K HA 0.171 4.491 4.320 -0.000 0.000 0.287 101 K C 0.138 176.549 176.600 -0.316 0.000 1.089 101 K CA -0.320 55.571 56.287 -0.660 0.000 0.909 101 K CB 0.393 32.356 32.500 -0.896 0.000 1.123 101 K HN 0.817 nan 8.250 nan 0.000 0.473 102 N N 0.294 118.860 118.700 -0.223 0.000 2.285 102 N HA -0.100 4.640 4.740 -0.000 0.000 0.262 102 N C 0.702 176.125 175.510 -0.145 0.000 1.299 102 N CA -0.098 52.861 53.050 -0.152 0.000 0.930 102 N CB 0.237 38.663 38.487 -0.103 0.000 1.157 102 N HN 0.319 nan 8.380 nan 0.000 0.532 103 S N -2.597 113.033 115.700 -0.117 0.000 2.571 103 S HA -0.159 4.311 4.470 -0.000 0.000 0.245 103 S C 0.399 174.948 174.600 -0.085 0.000 0.976 103 S CA 0.752 58.891 58.200 -0.101 0.000 0.954 103 S CB -0.732 62.414 63.200 -0.089 0.000 0.756 103 S HN 0.707 nan 8.310 nan 0.000 0.535 104 Q N 0.105 119.851 119.800 -0.090 0.000 2.089 104 Q HA 0.392 4.732 4.340 -0.000 0.000 0.248 104 Q C 0.650 176.598 176.000 -0.086 0.000 0.828 104 Q CA -0.095 55.665 55.803 -0.072 0.000 1.102 104 Q CB 0.801 29.508 28.738 -0.052 0.000 1.221 104 Q HN 0.516 nan 8.270 nan 0.000 0.455 105 G N 1.941 110.661 108.800 -0.133 0.000 2.390 105 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.299 105 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.299 105 G C -0.266 174.523 174.900 -0.185 0.000 1.002 105 G CA 0.496 45.483 45.100 -0.190 0.000 0.979 105 G HN 0.385 nan 8.290 nan 0.000 0.513 106 Q N -1.337 118.368 119.800 -0.158 0.000 2.325 106 Q HA 0.414 4.753 4.340 -0.000 0.000 0.262 106 Q C -0.453 175.506 176.000 -0.067 0.000 0.968 106 Q CA -0.891 54.875 55.803 -0.062 0.000 0.877 106 Q CB 1.211 29.941 28.738 -0.013 0.000 1.253 106 Q HN 0.434 nan 8.270 nan 0.000 0.448 107 W N 3.973 125.284 121.300 0.017 0.000 2.598 107 W HA 0.230 4.890 4.660 -0.000 0.000 0.396 107 W C 0.312 176.848 176.519 0.028 0.000 1.142 107 W CA -0.444 56.917 57.345 0.026 0.000 1.568 107 W CB 0.108 29.585 29.460 0.027 0.000 1.637 107 W HN 0.357 nan 8.180 nan 0.000 0.417 108 V N 0.972 121.009 119.914 0.205 0.000 2.975 108 V HA 0.515 4.635 4.120 -0.000 0.000 0.318 108 V C -0.009 176.181 176.094 0.160 0.000 1.077 108 V CA -1.806 60.575 62.300 0.136 0.000 1.000 108 V CB 1.760 33.622 31.823 0.066 0.000 1.066 108 V HN 0.321 nan 8.190 nan 0.000 0.452 109 K N 2.150 122.624 120.400 0.124 0.000 2.258 109 K HA 0.602 4.922 4.320 -0.000 0.000 0.284 109 K C -0.486 176.185 176.600 0.118 0.000 1.051 109 K CA -0.431 55.935 56.287 0.132 0.000 0.923 109 K CB 1.372 33.934 32.500 0.103 0.000 1.046 109 K HN 1.003 nan 8.250 nan 0.000 0.474 110 V N 1.280 121.283 119.914 0.148 0.000 2.994 110 V HA 0.554 4.674 4.120 -0.000 0.000 0.318 110 V C -0.802 175.394 176.094 0.169 0.000 1.085 110 V CA -1.091 61.289 62.300 0.134 0.000 0.998 110 V CB 1.616 33.520 31.823 0.136 0.000 1.063 110 V HN 0.948 nan 8.190 nan 0.000 0.447 111 N N 1.191 119.969 118.700 0.130 0.000 2.443 111 N HA 0.625 5.365 4.740 -0.000 0.000 0.293 111 N C -0.943 174.666 175.510 0.165 0.000 1.159 111 N CA -0.672 52.442 53.050 0.106 0.000 0.904 111 N CB 1.429 39.912 38.487 -0.007 0.000 1.214 111 N HN 1.009 nan 8.380 nan 0.000 0.513 112 Y N -2.779 117.551 120.300 0.050 0.000 2.576 112 Y HA 0.685 5.235 4.550 -0.000 0.000 0.346 112 Y C -1.399 174.519 175.900 0.030 0.000 1.018 112 Y CA -1.387 56.740 58.100 0.045 0.000 1.050 112 Y CB 1.467 39.959 38.460 0.054 0.000 1.280 112 Y HN 0.466 nan 8.280 nan 0.000 0.474 113 D N 1.698 122.192 120.400 0.158 0.000 2.375 113 D HA 0.370 5.010 4.640 -0.000 0.000 0.247 113 D C -1.920 174.479 176.300 0.166 0.000 1.061 113 D CA -0.395 53.651 54.000 0.076 0.000 0.834 113 D CB 1.960 42.777 40.800 0.028 0.000 1.247 113 D HN 0.686 nan 8.370 nan 0.000 0.489 114 L N 3.803 125.116 121.223 0.151 0.000 2.277 114 L HA 0.697 5.037 4.340 -0.000 0.000 0.284 114 L C 0.001 176.894 176.870 0.039 0.000 1.028 114 L CA -0.415 54.502 54.840 0.128 0.000 0.835 114 L CB 0.629 42.803 42.059 0.192 0.000 1.215 114 L HN 0.538 nan 8.230 nan 0.000 0.425 115 A N 4.213 127.018 122.820 -0.025 0.000 2.366 115 A HA 0.249 4.568 4.320 -0.000 0.000 0.250 115 A C 0.241 177.809 177.584 -0.027 0.000 1.099 115 A CA -0.310 51.691 52.037 -0.060 0.000 0.794 115 A CB 0.145 19.044 19.000 -0.168 0.000 1.056 115 A HN 0.619 nan 8.150 nan 0.000 0.499 116 K N 0.618 121.008 120.400 -0.017 0.000 2.436 116 K HA -0.007 4.313 4.320 -0.000 0.000 0.275 116 K C 0.300 176.921 176.600 0.036 0.000 0.999 116 K CA 0.167 56.463 56.287 0.015 0.000 0.980 116 K CB 0.193 32.702 32.500 0.015 0.000 0.919 116 K HN 0.709 nan 8.250 nan 0.000 0.484 117 R N 3.105 123.638 120.500 0.056 0.000 2.421 117 R HA -0.053 4.287 4.340 -0.000 0.000 0.305 117 R C -0.300 176.061 176.300 0.100 0.000 1.039 117 R CA -0.001 56.151 56.100 0.087 0.000 1.003 117 R CB 0.278 30.626 30.300 0.080 0.000 0.959 117 R HN 0.624 nan 8.270 nan 0.000 0.427 118 D N 1.684 122.173 120.400 0.148 0.000 2.358 118 D HA 0.001 4.641 4.640 -0.000 0.000 0.244 118 D C 0.178 176.538 176.300 0.100 0.000 1.163 118 D CA -0.275 53.805 54.000 0.134 0.000 0.945 118 D CB 1.087 41.998 40.800 0.184 0.000 1.152 118 D HN 0.447 nan 8.370 nan 0.000 0.451 119 D N 0.369 120.815 120.400 0.076 0.000 2.305 119 D HA -0.035 4.604 4.640 -0.000 0.000 0.206 119 D C 1.280 177.626 176.300 0.077 0.000 0.974 119 D CA 0.352 54.395 54.000 0.071 0.000 0.871 119 D CB 0.522 41.356 40.800 0.057 0.000 0.947 119 D HN 0.162 nan 8.370 nan 0.000 0.516 120 V N -0.587 119.370 119.914 0.070 0.000 3.013 120 V HA 0.124 4.244 4.120 -0.000 0.000 0.238 120 V C 1.537 177.676 176.094 0.075 0.000 1.161 120 V CA 0.216 62.566 62.300 0.083 0.000 1.170 120 V CB 0.157 32.042 31.823 0.104 0.000 0.917 120 V HN 0.039 nan 8.190 nan 0.000 0.478 121 L N 1.179 122.419 121.223 0.028 0.000 2.509 121 L HA 0.469 4.809 4.340 -0.000 0.000 0.222 121 L C 1.458 178.378 176.870 0.082 0.000 1.123 121 L CA 0.815 55.631 54.840 -0.039 0.000 0.856 121 L CB -0.982 40.857 42.059 -0.365 0.000 0.985 121 L HN 0.603 nan 8.230 nan 0.000 0.456 122 G N 0.391 109.278 108.800 0.146 0.000 2.553 122 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.242 122 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.242 122 G C -0.263 174.801 174.900 0.273 0.000 1.277 122 G CA -0.232 44.981 45.100 0.188 0.000 0.910 122 G HN 0.233 nan 8.290 nan 0.000 0.576 123 S N 0.420 116.243 115.700 0.205 0.000 2.438 123 S HA 0.506 4.976 4.470 -0.000 0.000 0.293 123 S C 0.239 174.877 174.600 0.064 0.000 1.141 123 S CA -0.271 58.003 58.200 0.123 0.000 1.080 123 S CB 1.684 64.928 63.200 0.073 0.000 0.978 123 S HN 0.753 nan 8.310 nan 0.000 0.479 124 K N 2.935 123.179 120.400 -0.260 0.000 2.349 124 K HA 0.236 4.556 4.320 -0.000 0.000 0.288 124 K C -0.782 175.730 176.600 -0.146 0.000 1.058 124 K CA -0.617 55.406 56.287 -0.441 0.000 0.953 124 K CB 0.273 32.084 32.500 -1.148 0.000 0.997 124 K HN 0.474 nan 8.250 nan 0.000 0.477 125 L N 5.011 126.220 121.223 -0.025 0.000 2.259 125 L HA 0.279 4.619 4.340 -0.000 0.000 0.288 125 L C -1.073 175.822 176.870 0.042 0.000 1.051 125 L CA 0.336 55.187 54.840 0.019 0.000 0.824 125 L CB 1.105 43.162 42.059 -0.004 0.000 1.206 125 L HN 0.601 nan 8.230 nan 0.000 0.429 126 T N 6.615 121.207 114.554 0.063 0.000 2.753 126 T HA 0.564 4.914 4.350 -0.000 0.000 0.297 126 T C 0.067 174.849 174.700 0.136 0.000 0.981 126 T CA -0.063 62.086 62.100 0.081 0.000 0.956 126 T CB 0.376 69.276 68.868 0.053 0.000 0.936 126 T HN 0.401 nan 8.240 nan 0.000 0.463 127 I N 3.370 124.028 120.570 0.147 0.000 2.562 127 I HA 0.381 4.551 4.170 -0.000 0.000 0.301 127 I C 0.127 176.337 176.117 0.155 0.000 1.003 127 I CA -0.950 60.456 61.300 0.178 0.000 1.127 127 I CB 1.733 39.830 38.000 0.163 0.000 1.304 127 I HN 0.432 nan 8.210 nan 0.000 0.446 128 N N 3.529 122.312 118.700 0.138 0.000 2.527 128 N HA 0.264 5.004 4.740 -0.000 0.000 0.236 128 N C -1.054 174.504 175.510 0.081 0.000 0.999 128 N CA -0.032 53.075 53.050 0.096 0.000 0.935 128 N CB 0.880 39.407 38.487 0.068 0.000 1.132 128 N HN 0.508 nan 8.380 nan 0.000 0.511 129 T N 3.590 118.185 114.554 0.069 0.000 2.895 129 T HA 0.489 4.839 4.350 -0.000 0.000 0.283 129 T C -2.504 172.157 174.700 -0.066 0.000 1.014 129 T CA -1.467 60.662 62.100 0.049 0.000 1.037 129 T CB 1.176 70.137 68.868 0.155 0.000 1.006 129 T HN 0.364 nan 8.240 nan 0.000 0.468 130 P HA -0.033 nan 4.420 nan 0.000 0.264 130 P C -0.134 177.002 177.300 -0.274 0.000 1.179 130 P CA -0.383 62.630 63.100 -0.145 0.000 0.763 130 P CB 0.298 31.921 31.700 -0.128 0.000 0.806 131 L N 4.941 126.004 121.223 -0.267 0.000 2.737 131 L HA -0.159 4.181 4.340 -0.000 0.000 0.279 131 L C 0.511 177.089 176.870 -0.487 0.000 1.200 131 L CA 1.407 56.026 54.840 -0.370 0.000 0.952 131 L CB -1.767 40.151 42.059 -0.236 0.000 1.240 131 L HN 0.714 nan 8.230 nan 0.000 0.486 132 N N 1.735 119.893 118.700 -0.904 0.000 2.741 132 N HA -0.197 4.543 4.740 -0.000 0.000 0.251 132 N C 0.484 175.659 175.510 -0.558 0.000 1.112 132 N CA 0.410 52.856 53.050 -1.007 0.000 0.750 132 N CB -0.736 37.484 38.487 -0.445 0.000 1.119 132 N HN 0.852 nan 8.380 nan 0.000 0.561 133 A N 0.962 123.536 122.820 -0.411 0.000 2.581 133 A HA -0.130 4.190 4.320 -0.000 0.000 0.257 133 A C 1.217 178.888 177.584 0.145 0.000 1.022 133 A CA 0.772 52.761 52.037 -0.080 0.000 0.812 133 A CB 0.190 19.207 19.000 0.027 0.000 0.918 133 A HN 0.330 nan 8.150 nan 0.000 0.516 134 K N 1.101 121.517 120.400 0.027 0.000 2.418 134 K HA 0.038 4.357 4.320 -0.000 0.000 0.195 134 K C 0.276 176.906 176.600 0.050 0.000 1.035 134 K CA 0.917 57.242 56.287 0.063 0.000 1.003 134 K CB 0.079 32.566 32.500 -0.022 0.000 0.793 134 K HN 0.705 nan 8.250 nan 0.000 0.494 135 K N -0.063 120.333 120.400 -0.005 0.000 2.579 135 K HA 0.405 4.725 4.320 -0.000 0.000 0.284 135 K C -1.671 174.988 176.600 0.099 0.000 0.990 135 K CA -0.701 55.620 56.287 0.056 0.000 0.880 135 K CB 2.853 35.373 32.500 0.034 0.000 1.488 135 K HN -0.284 nan 8.250 nan 0.000 0.425 136 V N 1.284 121.367 119.914 0.282 0.000 2.851 136 V HA 0.461 4.581 4.120 -0.000 0.000 0.307 136 V C -1.304 175.021 176.094 0.386 0.000 1.129 136 V CA -0.833 61.667 62.300 0.333 0.000 0.932 136 V CB 2.217 34.171 31.823 0.219 0.000 1.024 136 V HN 0.727 nan 8.190 nan 0.000 0.426 137 R N 3.093 123.817 120.500 0.374 0.000 2.439 137 R HA 0.810 5.150 4.340 -0.000 0.000 0.310 137 R C -1.978 174.352 176.300 0.050 0.000 0.955 137 R CA -0.333 55.831 56.100 0.106 0.000 0.853 137 R CB 1.919 32.062 30.300 -0.262 0.000 1.171 137 R HN 0.507 nan 8.270 nan 0.000 0.449 138 V N 5.595 125.531 119.914 0.036 0.000 2.417 138 V HA 0.376 4.496 4.120 -0.000 0.000 0.291 138 V C -0.991 175.184 176.094 0.136 0.000 1.024 138 V CA -0.699 61.646 62.300 0.075 0.000 0.861 138 V CB 1.321 33.147 31.823 0.005 0.000 0.985 138 V HN 0.668 nan 8.190 nan 0.000 0.436 139 Y N 5.957 126.386 120.300 0.214 0.000 2.326 139 Y HA 0.673 5.223 4.550 -0.000 0.000 0.337 139 Y C -0.037 176.008 175.900 0.241 0.000 1.023 139 Y CA -0.350 57.920 58.100 0.283 0.000 1.143 139 Y CB 1.228 39.825 38.460 0.228 0.000 1.183 139 Y HN 0.749 nan 8.280 nan 0.000 0.485 140 Y N 0.688 121.085 120.300 0.161 0.000 2.689 140 Y HA 0.561 5.111 4.550 -0.000 0.000 0.333 140 Y C -1.766 174.113 175.900 -0.035 0.000 1.208 140 Y CA -1.900 56.097 58.100 -0.172 0.000 1.055 140 Y CB 1.283 39.679 38.460 -0.108 0.000 1.304 140 Y HN 0.558 nan 8.280 nan 0.000 0.455 141 N N 0.722 119.385 118.700 -0.061 0.000 2.229 141 N HA 0.449 5.189 4.740 -0.000 0.000 0.298 141 N C -1.270 174.339 175.510 0.166 0.000 1.114 141 N CA -0.369 52.696 53.050 0.025 0.000 0.776 141 N CB 2.350 40.911 38.487 0.124 0.000 1.501 141 N HN 0.992 nan 8.380 nan 0.000 0.474 142 S N 0.459 116.270 115.700 0.186 0.000 2.603 142 S HA 0.489 4.959 4.470 -0.000 0.000 0.268 142 S C 0.350 175.013 174.600 0.104 0.000 1.317 142 S CA -0.107 58.220 58.200 0.211 0.000 1.012 142 S CB 0.656 64.034 63.200 0.298 0.000 0.926 142 S HN 0.844 nan 8.310 nan 0.000 0.539 143 T N -1.100 113.507 114.554 0.088 0.000 2.926 143 T HA 0.492 4.842 4.350 -0.000 0.000 0.289 143 T C 0.774 175.461 174.700 -0.022 0.000 1.054 143 T CA -0.610 61.491 62.100 0.002 0.000 1.015 143 T CB 1.427 70.305 68.868 0.017 0.000 1.167 143 T HN 0.674 nan 8.240 nan 0.000 0.526 144 E N 1.121 121.246 120.200 -0.124 0.000 2.409 144 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 144 E C 1.290 177.878 176.600 -0.021 0.000 1.024 144 E CA 0.855 57.146 56.400 -0.181 0.000 0.861 144 E CB -0.524 29.031 29.700 -0.241 0.000 0.788 144 E HN 0.943 nan 8.360 nan 0.000 0.521 145 K N 0.795 121.203 120.400 0.012 0.000 2.487 145 K HA 0.371 4.691 4.320 -0.000 0.000 0.192 145 K C 0.607 177.256 176.600 0.082 0.000 1.027 145 K CA 0.308 56.621 56.287 0.044 0.000 1.054 145 K CB 0.087 32.612 32.500 0.041 0.000 0.824 145 K HN 0.040 nan 8.250 nan 0.000 0.510 146 A N 2.403 125.294 122.820 0.118 0.000 2.548 146 A HA 0.036 4.356 4.320 -0.000 0.000 0.247 146 A C 1.337 178.991 177.584 0.116 0.000 1.067 146 A CA 0.230 52.362 52.037 0.158 0.000 0.757 146 A CB 0.146 19.279 19.000 0.222 0.000 0.996 146 A HN 0.465 nan 8.150 nan 0.000 0.504 147 T N 0.097 114.727 114.554 0.127 0.000 3.085 147 T HA 0.081 4.431 4.350 -0.000 0.000 0.263 147 T C 1.163 175.787 174.700 -0.126 0.000 1.127 147 T CA 1.115 63.231 62.100 0.027 0.000 1.103 147 T CB 0.033 68.966 68.868 0.108 0.000 0.921 147 T HN 0.885 nan 8.240 nan 0.000 0.510 148 G N 0.857 109.695 108.800 0.063 0.000 3.502 148 G HA2 0.556 4.516 3.960 -0.000 0.000 0.267 148 G HA3 0.556 4.516 3.960 -0.000 0.000 0.267 148 G C -0.127 174.725 174.900 -0.080 0.000 1.090 148 G CA -0.492 44.660 45.100 0.086 0.000 0.795 148 G HN 0.503 nan 8.290 nan 0.000 0.535 149 L N 0.026 121.134 121.223 -0.190 0.000 2.455 149 L HA 0.475 4.815 4.340 -0.000 0.000 0.264 149 L C -1.052 175.516 176.870 -0.503 0.000 0.968 149 L CA -1.054 53.517 54.840 -0.448 0.000 0.827 149 L CB 2.672 44.423 42.059 -0.513 0.000 1.317 149 L HN -0.039 nan 8.230 nan 0.000 0.407 150 Q N 1.841 121.147 119.800 -0.823 0.000 2.348 150 Q HA 0.373 4.713 4.340 -0.000 0.000 0.265 150 Q C -1.957 173.683 176.000 -0.599 0.000 0.998 150 Q CA -0.140 55.187 55.803 -0.795 0.000 0.831 150 Q CB 1.102 29.113 28.738 -1.212 0.000 1.251 150 Q HN 0.403 nan 8.270 nan 0.000 0.456 151 W N 5.824 127.010 121.300 -0.190 0.000 2.283 151 W HA 0.470 5.130 4.660 -0.000 0.000 0.317 151 W C -0.958 175.592 176.519 0.053 0.000 1.042 151 W CA -0.461 56.884 57.345 0.001 0.000 1.348 151 W CB 0.719 30.183 29.460 0.007 0.000 1.216 151 W HN 0.470 nan 8.180 nan 0.000 0.404 152 L N 4.257 125.650 121.223 0.284 0.000 2.272 152 L HA 0.387 4.727 4.340 -0.000 0.000 0.289 152 L C 0.941 177.914 176.870 0.171 0.000 1.032 152 L CA -0.751 54.212 54.840 0.206 0.000 0.810 152 L CB 1.005 43.185 42.059 0.203 0.000 1.205 152 L HN 0.397 nan 8.230 nan 0.000 0.422 153 S N 2.031 117.802 115.700 0.118 0.000 2.584 153 S HA 0.230 4.699 4.470 -0.000 0.000 0.270 153 S C 1.353 175.968 174.600 0.025 0.000 1.346 153 S CA -0.112 58.126 58.200 0.064 0.000 1.018 153 S CB 1.460 64.689 63.200 0.047 0.000 0.899 153 S HN 0.719 nan 8.310 nan 0.000 0.542 154 A N 1.309 124.120 122.820 -0.016 0.000 2.032 154 A HA -0.178 4.142 4.320 -0.000 0.000 0.221 154 A C 2.205 179.785 177.584 -0.005 0.000 1.165 154 A CA 1.745 53.769 52.037 -0.023 0.000 0.645 154 A CB -1.059 17.917 19.000 -0.039 0.000 0.807 154 A HN 1.034 nan 8.150 nan 0.000 0.453 155 E N -0.373 119.826 120.200 -0.001 0.000 2.158 155 E HA -0.172 4.177 4.350 -0.000 0.000 0.191 155 E C 1.290 177.887 176.600 -0.006 0.000 0.982 155 E CA 0.921 57.318 56.400 -0.006 0.000 0.823 155 E CB -0.389 29.308 29.700 -0.006 0.000 0.766 155 E HN 0.756 nan 8.360 nan 0.000 0.468 156 Q N 1.722 121.529 119.800 0.012 0.000 2.291 156 Q HA 0.058 4.398 4.340 -0.000 0.000 0.211 156 Q C 0.133 176.137 176.000 0.006 0.000 0.925 156 Q CA 0.686 56.499 55.803 0.017 0.000 0.949 156 Q CB 0.348 29.114 28.738 0.047 0.000 1.015 156 Q HN 0.339 nan 8.270 nan 0.000 0.477 157 T N -5.339 109.210 114.554 -0.009 0.000 2.926 157 T HA 0.640 4.989 4.350 -0.000 0.000 0.289 157 T C 0.809 175.461 174.700 -0.081 0.000 1.054 157 T CA -0.353 61.733 62.100 -0.024 0.000 1.015 157 T CB 1.787 70.686 68.868 0.053 0.000 1.167 157 T HN -0.031 nan 8.240 nan 0.000 0.526 158 A N 0.794 123.536 122.820 -0.129 0.000 1.930 158 A HA 0.311 4.631 4.320 -0.000 0.000 0.215 158 A C 2.330 179.834 177.584 -0.133 0.000 1.176 158 A CA 1.469 53.337 52.037 -0.281 0.000 0.632 158 A CB -1.489 17.162 19.000 -0.581 0.000 0.819 158 A HN 1.143 nan 8.150 nan 0.000 0.445 159 G N -1.288 107.500 108.800 -0.020 0.000 2.432 159 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.219 159 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.219 159 G C 1.036 175.932 174.900 -0.007 0.000 1.135 159 G CA 1.269 46.377 45.100 0.014 0.000 0.767 159 G HN 0.327 nan 8.290 nan 0.000 0.550 160 K N -1.078 119.312 120.400 -0.016 0.000 3.572 160 K HA -0.206 4.114 4.320 -0.000 0.000 0.306 160 K C 1.286 177.880 176.600 -0.011 0.000 1.286 160 K CA 1.907 58.183 56.287 -0.018 0.000 1.010 160 K CB -1.333 31.152 32.500 -0.025 0.000 1.268 160 K HN 0.606 nan 8.250 nan 0.000 0.438 161 E N 0.062 120.259 120.200 -0.004 0.000 2.389 161 E HA 0.114 4.464 4.350 -0.000 0.000 0.199 161 E C -0.157 176.430 176.600 -0.021 0.000 0.978 161 E CA 0.328 56.724 56.400 -0.006 0.000 0.912 161 E CB 0.471 30.173 29.700 0.004 0.000 0.907 161 E HN 0.186 nan 8.360 nan 0.000 0.494 162 K N 0.997 121.382 120.400 -0.026 0.000 2.469 162 K HA 0.337 4.657 4.320 -0.000 0.000 0.254 162 K C -2.720 173.814 176.600 -0.110 0.000 0.939 162 K CA -2.177 54.064 56.287 -0.078 0.000 0.812 162 K CB 2.403 34.864 32.500 -0.064 0.000 1.301 162 K HN -0.149 nan 8.250 nan 0.000 0.433 163 P HA 0.207 nan 4.420 nan 0.000 0.277 163 P C -1.099 176.052 177.300 -0.249 0.000 1.276 163 P CA -0.240 62.667 63.100 -0.322 0.000 0.788 163 P CB 0.610 31.902 31.700 -0.679 0.000 1.114 164 F N -0.163 119.682 119.950 -0.174 0.000 2.596 164 F HA 0.550 5.077 4.527 -0.000 0.000 0.311 164 F C -1.653 174.232 175.800 0.142 0.000 1.116 164 F CA -0.991 57.012 58.000 0.005 0.000 0.957 164 F CB 1.567 40.595 39.000 0.047 0.000 1.250 164 F HN 0.130 nan 8.300 nan 0.000 0.444 165 L N 7.002 128.327 121.223 0.169 0.000 2.401 165 L HA 0.859 5.199 4.340 -0.000 0.000 0.266 165 L C -1.821 175.093 176.870 0.073 0.000 0.991 165 L CA -0.644 54.163 54.840 -0.054 0.000 0.818 165 L CB 1.844 43.606 42.059 -0.495 0.000 1.321 165 L HN 0.511 nan 8.230 nan 0.000 0.413 166 F N 1.399 121.293 119.950 -0.093 0.000 2.654 166 F HA 0.795 5.322 4.527 -0.000 0.000 0.308 166 F C -0.905 174.833 175.800 -0.104 0.000 1.108 166 F CA -0.620 57.412 58.000 0.054 0.000 0.957 166 F CB 0.945 40.153 39.000 0.346 0.000 1.309 166 F HN 0.585 nan 8.300 nan 0.000 0.446 167 S N 1.697 117.450 115.700 0.087 0.000 2.617 167 S HA 0.648 5.118 4.470 -0.000 0.000 0.283 167 S C -0.756 173.904 174.600 0.100 0.000 1.189 167 S CA -0.462 57.665 58.200 -0.121 0.000 1.036 167 S CB 1.727 64.711 63.200 -0.359 0.000 1.014 167 S HN 0.957 nan 8.310 nan 0.000 0.522 168 Q N 1.467 121.312 119.800 0.076 0.000 2.695 168 Q HA 0.410 4.750 4.340 -0.000 0.000 0.246 168 Q C -0.931 175.112 176.000 0.071 0.000 0.961 168 Q CA -0.269 55.554 55.803 0.034 0.000 0.708 168 Q CB 0.429 29.198 28.738 0.052 0.000 1.282 168 Q HN 0.749 nan 8.270 nan 0.000 0.482 169 N N 2.237 121.002 118.700 0.109 0.000 2.370 169 N HA -0.003 4.737 4.740 -0.000 0.000 0.198 169 N C -0.705 174.904 175.510 0.164 0.000 1.156 169 N CA 0.199 53.380 53.050 0.220 0.000 0.839 169 N CB 0.520 39.131 38.487 0.206 0.000 0.989 169 N HN 0.598 nan 8.380 nan 0.000 0.468 170 Q N 0.044 119.881 119.800 0.063 0.000 2.347 170 Q HA 0.560 4.900 4.340 -0.000 0.000 0.262 170 Q C -0.091 175.812 176.000 -0.161 0.000 0.980 170 Q CA -0.525 55.208 55.803 -0.117 0.000 0.867 170 Q CB 1.324 29.947 28.738 -0.192 0.000 1.242 170 Q HN 0.102 nan 8.270 nan 0.000 0.453 171 A N 4.941 127.515 122.820 -0.410 0.000 1.970 171 A HA 0.238 4.558 4.320 -0.000 0.000 0.204 171 A C 0.779 178.120 177.584 -0.404 0.000 1.325 171 A CA 0.236 51.797 52.037 -0.792 0.000 0.767 171 A CB 0.235 18.354 19.000 -1.468 0.000 0.949 171 A HN 0.806 nan 8.150 nan 0.000 0.481 172 I N -3.918 116.338 120.570 -0.523 0.000 2.905 172 I HA 0.507 4.677 4.170 -0.000 0.000 0.297 172 I C -0.230 175.631 176.117 -0.427 0.000 1.358 172 I CA -0.442 60.678 61.300 -0.300 0.000 0.975 172 I CB 0.324 38.210 38.000 -0.190 0.000 1.857 172 I HN 0.088 nan 8.210 nan 0.000 0.612 173 H N 2.266 121.356 119.070 0.033 0.000 2.893 173 H HA 0.417 4.973 4.556 -0.000 0.000 0.270 173 H C 1.809 177.218 175.328 0.136 0.000 1.095 173 H CA 0.564 56.666 56.048 0.090 0.000 1.186 173 H CB 1.194 31.018 29.762 0.103 0.000 1.562 173 H HN 0.672 nan 8.280 nan 0.000 0.536 174 A N 1.834 124.716 122.820 0.104 0.000 1.930 174 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 174 A C 2.411 179.843 177.584 -0.254 0.000 1.175 174 A CA 1.126 53.074 52.037 -0.147 0.000 0.627 174 A CB -0.323 18.544 19.000 -0.220 0.000 0.815 174 A HN 0.429 nan 8.150 nan 0.000 0.443 175 R N 0.544 120.989 120.500 -0.092 0.000 2.237 175 R HA -0.068 4.272 4.340 -0.000 0.000 0.219 175 R C 1.701 178.007 176.300 0.010 0.000 1.080 175 R CA 1.652 57.702 56.100 -0.083 0.000 0.995 175 R CB -0.784 29.503 30.300 -0.021 0.000 0.875 175 R HN 0.499 nan 8.270 nan 0.000 0.462 176 S N 0.501 116.291 115.700 0.151 0.000 2.555 176 S HA -0.045 4.425 4.470 -0.000 0.000 0.230 176 S C 1.050 175.855 174.600 0.342 0.000 0.978 176 S CA 0.232 58.581 58.200 0.249 0.000 0.934 176 S CB -0.457 62.928 63.200 0.309 0.000 0.766 176 S HN 0.787 nan 8.310 nan 0.000 0.533 177 W N -0.079 121.251 121.300 0.050 0.000 1.460 177 W HA 0.564 5.224 4.660 -0.000 0.000 0.226 177 W C -1.065 175.498 176.519 0.073 0.000 0.808 177 W CA -0.975 56.429 57.345 0.099 0.000 1.278 177 W CB -0.552 28.954 29.460 0.077 0.000 0.927 177 W HN 0.071 nan 8.180 nan 0.000 0.442 178 I N 3.900 124.275 120.570 -0.324 0.000 2.611 178 I HA 0.250 4.420 4.170 -0.000 0.000 0.287 178 I C -2.534 173.305 176.117 -0.464 0.000 1.184 178 I CA -1.765 59.230 61.300 -0.509 0.000 1.054 178 I CB 3.091 40.645 38.000 -0.743 0.000 1.257 178 I HN -0.397 nan 8.210 nan 0.000 0.435 179 P HA 0.444 nan 4.420 nan 0.000 0.281 179 P C -0.707 176.437 177.300 -0.260 0.000 1.286 179 P CA 0.116 62.992 63.100 -0.374 0.000 0.772 179 P CB 1.864 33.306 31.700 -0.430 0.000 0.862 180 I N 2.026 122.483 120.570 -0.188 0.000 3.363 180 I HA 0.172 4.342 4.170 -0.000 0.000 0.320 180 I C -1.015 175.049 176.117 -0.089 0.000 1.293 180 I CA -1.030 60.180 61.300 -0.150 0.000 0.905 180 I CB 2.206 40.079 38.000 -0.212 0.000 1.311 180 I HN 0.073 nan 8.210 nan 0.000 0.485 181 Q N 2.133 121.885 119.800 -0.080 0.000 2.571 181 Q HA 0.208 4.548 4.340 -0.000 0.000 0.222 181 Q C -1.369 174.586 176.000 -0.075 0.000 1.167 181 Q CA -0.235 55.542 55.803 -0.043 0.000 0.966 181 Q CB 0.232 28.946 28.738 -0.039 0.000 1.274 181 Q HN 0.288 nan 8.270 nan 0.000 0.552 182 D N 2.211 122.582 120.400 -0.049 0.000 2.367 182 D HA 0.057 4.697 4.640 -0.000 0.000 0.255 182 D C -0.912 175.379 176.300 -0.014 0.000 1.300 182 D CA 0.621 54.600 54.000 -0.034 0.000 0.959 182 D CB 0.407 41.196 40.800 -0.018 0.000 1.064 182 D HN 0.199 nan 8.370 nan 0.000 0.509 183 T N 3.885 118.393 114.554 -0.076 0.000 3.012 183 T HA 0.241 4.591 4.350 -0.000 0.000 0.330 183 T C -2.253 172.322 174.700 -0.208 0.000 1.321 183 T CA -1.014 60.977 62.100 -0.182 0.000 1.067 183 T CB 2.037 70.671 68.868 -0.390 0.000 1.235 183 T HN 0.001 nan 8.240 nan 0.000 0.479 184 P HA 0.111 nan 4.420 nan 0.000 0.237 184 P C 0.993 178.138 177.300 -0.258 0.000 1.178 184 P CA 0.399 63.348 63.100 -0.252 0.000 0.766 184 P CB 0.202 31.575 31.700 -0.545 0.000 0.876 185 S N -1.407 114.083 115.700 -0.350 0.000 2.528 185 S HA 0.071 4.541 4.470 -0.000 0.000 0.219 185 S C 0.808 175.225 174.600 -0.306 0.000 0.985 185 S CA 0.227 58.229 58.200 -0.330 0.000 0.914 185 S CB -0.006 62.920 63.200 -0.456 0.000 0.776 185 S HN -0.051 nan 8.310 nan 0.000 0.526 186 V N 3.033 122.760 119.914 -0.311 0.000 2.357 186 V HA 0.389 4.509 4.120 -0.000 0.000 0.284 186 V C -0.135 175.880 176.094 -0.133 0.000 1.018 186 V CA -0.661 61.516 62.300 -0.205 0.000 0.841 186 V CB 1.266 32.960 31.823 -0.215 0.000 0.991 186 V HN 0.197 nan 8.190 nan 0.000 0.437 187 R N 3.375 123.825 120.500 -0.083 0.000 2.407 187 R HA 0.803 5.143 4.340 -0.000 0.000 0.303 187 R C -0.766 175.517 176.300 -0.028 0.000 0.981 187 R CA -0.504 55.566 56.100 -0.051 0.000 0.905 187 R CB 2.067 32.360 30.300 -0.012 0.000 1.099 187 R HN 0.650 nan 8.270 nan 0.000 0.459 188 V N -1.315 118.585 119.914 -0.024 0.000 3.007 188 V HA 0.643 4.763 4.120 -0.000 0.000 0.311 188 V C -0.029 176.100 176.094 0.058 0.000 1.120 188 V CA -0.952 61.352 62.300 0.006 0.000 0.980 188 V CB 1.940 33.736 31.823 -0.044 0.000 1.033 188 V HN 0.880 nan 8.190 nan 0.000 0.429 189 T N 0.864 115.504 114.554 0.144 0.000 2.902 189 T HA 0.814 5.164 4.350 -0.000 0.000 0.280 189 T C -0.637 174.187 174.700 0.206 0.000 0.992 189 T CA -0.205 62.033 62.100 0.230 0.000 1.015 189 T CB 1.483 70.519 68.868 0.279 0.000 1.044 189 T HN 1.844 nan 8.240 nan 0.000 0.520 190 Y N -1.278 119.001 120.300 -0.035 0.000 2.562 190 Y HA 0.731 5.281 4.550 -0.000 0.000 0.345 190 Y C -0.761 175.124 175.900 -0.025 0.000 1.045 190 Y CA -1.158 56.783 58.100 -0.265 0.000 1.028 190 Y CB 1.324 39.628 38.460 -0.260 0.000 1.297 190 Y HN 1.015 nan 8.280 nan 0.000 0.463 191 T N 0.364 114.902 114.554 -0.027 0.000 2.900 191 T HA 0.943 5.293 4.350 -0.000 0.000 0.295 191 T C -0.964 173.558 174.700 -0.298 0.000 1.044 191 T CA -0.399 61.632 62.100 -0.116 0.000 0.995 191 T CB 1.562 70.589 68.868 0.265 0.000 1.072 191 T HN 1.613 nan 8.240 nan 0.000 0.473 192 A N 2.271 124.752 122.820 -0.564 0.000 2.437 192 A HA 0.754 5.074 4.320 -0.000 0.000 0.293 192 A C -0.581 176.720 177.584 -0.471 0.000 1.038 192 A CA -0.896 50.872 52.037 -0.447 0.000 0.708 192 A CB 1.555 20.500 19.000 -0.091 0.000 1.251 192 A HN 0.653 nan 8.150 nan 0.000 0.409 193 R N 3.182 123.445 120.500 -0.396 0.000 2.204 193 R HA 0.406 4.746 4.340 -0.000 0.000 0.341 193 R C -1.002 175.315 176.300 0.027 0.000 1.035 193 R CA -0.660 55.430 56.100 -0.017 0.000 0.887 193 R CB -0.123 30.306 30.300 0.214 0.000 1.114 193 R HN 0.610 nan 8.270 nan 0.000 0.473 194 I N 3.387 124.072 120.570 0.192 0.000 2.377 194 I HA 0.296 4.466 4.170 -0.000 0.000 0.293 194 I C 0.345 176.606 176.117 0.239 0.000 0.987 194 I CA -0.583 60.839 61.300 0.204 0.000 1.185 194 I CB 1.657 39.833 38.000 0.293 0.000 1.341 194 I HN 0.291 nan 8.210 nan 0.000 0.455 195 T N 5.267 119.907 114.554 0.144 0.000 2.779 195 T HA 0.634 4.984 4.350 -0.000 0.000 0.280 195 T C 0.370 175.155 174.700 0.141 0.000 0.987 195 T CA -0.448 61.724 62.100 0.120 0.000 0.966 195 T CB 1.559 70.467 68.868 0.066 0.000 0.933 195 T HN 0.847 nan 8.240 nan 0.000 0.442 196 T N -0.113 114.552 114.554 0.186 0.000 2.742 196 T HA 0.536 4.886 4.350 -0.000 0.000 0.282 196 T C -0.810 173.996 174.700 0.177 0.000 1.025 196 T CA -1.030 61.197 62.100 0.212 0.000 1.020 196 T CB 1.109 70.165 68.868 0.312 0.000 1.317 196 T HN 0.286 nan 8.240 nan 0.000 0.538 197 D N 1.354 121.873 120.400 0.199 0.000 2.390 197 D HA 0.175 4.815 4.640 -0.000 0.000 0.236 197 D C 0.298 176.676 176.300 0.128 0.000 1.189 197 D CA 0.047 54.137 54.000 0.150 0.000 0.887 197 D CB 0.481 41.377 40.800 0.159 0.000 1.198 197 D HN 0.609 nan 8.370 nan 0.000 0.444 198 K N 0.839 121.289 120.400 0.084 0.000 2.440 198 K HA 0.033 4.353 4.320 -0.000 0.000 0.270 198 K C 0.166 176.820 176.600 0.090 0.000 0.980 198 K CA -0.207 56.123 56.287 0.071 0.000 0.953 198 K CB 0.526 33.052 32.500 0.045 0.000 0.925 198 K HN 0.255 nan 8.250 nan 0.000 0.497 199 D N -1.143 119.316 120.400 0.098 0.000 2.876 199 D HA -0.146 4.494 4.640 -0.000 0.000 0.196 199 D C -0.801 175.554 176.300 0.091 0.000 1.014 199 D CA 1.001 55.052 54.000 0.086 0.000 1.012 199 D CB -0.607 40.229 40.800 0.060 0.000 1.080 199 D HN 0.220 nan 8.370 nan 0.000 0.438 200 L N 0.433 121.734 121.223 0.130 0.000 2.341 200 L HA 0.641 4.981 4.340 -0.000 0.000 0.267 200 L C -0.452 176.494 176.870 0.125 0.000 1.009 200 L CA -0.906 53.989 54.840 0.091 0.000 0.819 200 L CB 1.697 43.821 42.059 0.108 0.000 1.323 200 L HN 0.037 nan 8.230 nan 0.000 0.425 201 L N 2.202 123.414 121.223 -0.019 0.000 2.317 201 L HA 0.894 5.234 4.340 -0.000 0.000 0.281 201 L C -0.429 176.200 176.870 -0.401 0.000 1.024 201 L CA -0.231 54.496 54.840 -0.189 0.000 0.810 201 L CB 1.495 43.498 42.059 -0.093 0.000 1.240 201 L HN 0.691 nan 8.230 nan 0.000 0.427 202 A N 4.451 126.780 122.820 -0.818 0.000 2.312 202 A HA 0.833 5.153 4.320 -0.000 0.000 0.326 202 A C -1.261 176.186 177.584 -0.229 0.000 1.172 202 A CA -0.511 51.242 52.037 -0.474 0.000 0.821 202 A CB 1.379 20.203 19.000 -0.293 0.000 1.166 202 A HN 0.593 nan 8.150 nan 0.000 0.493 203 V N 3.412 123.118 119.914 -0.347 0.000 2.711 203 V HA 0.476 4.596 4.120 -0.000 0.000 0.304 203 V C -0.307 175.469 176.094 -0.531 0.000 1.097 203 V CA -0.194 61.883 62.300 -0.371 0.000 0.906 203 V CB 1.677 33.188 31.823 -0.519 0.000 1.015 203 V HN 1.062 nan 8.190 nan 0.000 0.427 204 M N 2.104 121.336 119.600 -0.613 0.000 2.752 204 M HA 0.468 4.948 4.480 -0.000 0.000 0.285 204 M C 0.132 176.369 176.300 -0.105 0.000 1.140 204 M CA -0.728 54.330 55.300 -0.402 0.000 0.767 204 M CB 2.465 34.681 32.600 -0.639 0.000 1.736 204 M HN 0.540 nan 8.290 nan 0.000 0.452 205 S N -0.065 115.662 115.700 0.044 0.000 3.266 205 S HA 0.726 5.196 4.470 -0.000 0.000 0.209 205 S C -0.457 174.198 174.600 0.091 0.000 1.409 205 S CA -0.465 57.781 58.200 0.076 0.000 1.179 205 S CB -0.579 62.654 63.200 0.054 0.000 1.218 205 S HN 0.686 nan 8.310 nan 0.000 0.514 206 A N 1.615 124.451 122.820 0.027 0.000 2.594 206 A HA 0.713 5.033 4.320 -0.000 0.000 0.307 206 A C -1.419 176.212 177.584 0.079 0.000 1.203 206 A CA -1.143 50.875 52.037 -0.032 0.000 0.644 206 A CB 0.398 19.218 19.000 -0.299 0.000 1.349 206 A HN 0.396 nan 8.150 nan 0.000 0.510 207 N N 2.028 120.769 118.700 0.067 0.000 2.422 207 N HA 0.357 5.097 4.740 -0.000 0.000 0.264 207 N C -0.594 174.974 175.510 0.098 0.000 1.063 207 N CA -0.198 52.903 53.050 0.085 0.000 0.959 207 N CB 0.611 39.132 38.487 0.057 0.000 1.087 207 N HN 0.732 nan 8.380 nan 0.000 0.483 215 D N -0.395 119.979 120.400 -0.043 0.000 2.097 215 D HA 0.085 4.725 4.640 -0.000 0.000 0.197 215 D C 1.118 177.338 176.300 -0.133 0.000 0.984 215 D CA 1.574 55.510 54.000 -0.107 0.000 0.826 215 D CB -0.020 40.681 40.800 -0.166 0.000 0.973 215 D HN 0.838 nan 8.370 nan 0.000 0.460 216 G N -0.491 108.098 108.800 -0.351 0.000 2.164 216 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.154 216 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.154 216 G C -0.596 174.053 174.900 -0.417 0.000 1.014 216 G CA 0.039 45.008 45.100 -0.217 0.000 0.683 216 G HN 0.536 nan 8.290 nan 0.000 0.500 217 D N 0.321 120.258 120.400 -0.770 0.000 2.389 217 D HA 0.540 5.180 4.640 -0.000 0.000 0.256 217 D C -0.737 175.186 176.300 -0.628 0.000 1.239 217 D CA -0.320 53.404 54.000 -0.460 0.000 0.925 217 D CB 0.696 41.366 40.800 -0.216 0.000 1.145 217 D HN 0.184 nan 8.370 nan 0.000 0.542 218 Y N 1.710 122.021 120.300 0.019 0.000 2.549 218 Y HA 0.618 5.168 4.550 -0.000 0.000 0.339 218 Y C -0.514 175.348 175.900 -0.062 0.000 1.053 218 Y CA -1.173 56.841 58.100 -0.143 0.000 1.105 218 Y CB 1.937 40.266 38.460 -0.218 0.000 1.258 218 Y HN 0.238 nan 8.280 nan 0.000 0.478 219 F N 1.884 121.669 119.950 -0.275 0.000 2.581 219 F HA 0.702 5.229 4.527 -0.000 0.000 0.311 219 F C -2.185 173.432 175.800 -0.305 0.000 1.113 219 F CA -1.370 56.583 58.000 -0.078 0.000 0.935 219 F CB 1.016 39.991 39.000 -0.041 0.000 1.232 219 F HN 0.291 nan 8.300 nan 0.000 0.445 220 F N 2.683 122.440 119.950 -0.323 0.000 2.556 220 F HA 0.698 5.225 4.527 -0.000 0.000 0.327 220 F C -0.080 175.503 175.800 -0.362 0.000 1.059 220 F CA -1.184 56.684 58.000 -0.221 0.000 0.953 220 F CB 2.063 40.946 39.000 -0.195 0.000 1.227 220 F HN 0.371 nan 8.300 nan 0.000 0.478 221 S N 2.355 118.023 115.700 -0.055 0.000 2.736 221 S HA 0.606 5.076 4.470 -0.000 0.000 0.285 221 S C -1.348 173.144 174.600 -0.180 0.000 1.163 221 S CA -0.522 57.608 58.200 -0.118 0.000 1.025 221 S CB 0.760 64.000 63.200 0.066 0.000 1.030 221 S HN 0.640 nan 8.310 nan 0.000 0.486 222 M N 8.299 127.698 119.600 -0.335 0.000 2.036 222 M HA 0.543 5.023 4.480 -0.000 0.000 0.337 222 M C -2.307 173.967 176.300 -0.043 0.000 1.012 222 M CA -2.038 53.147 55.300 -0.192 0.000 0.962 222 M CB 1.709 34.120 32.600 -0.315 0.000 1.423 222 M HN 0.327 nan 8.290 nan 0.000 0.405 223 P HA 0.027 nan 4.420 nan 0.000 0.253 223 P C -0.861 176.374 177.300 -0.109 0.000 1.260 223 P CA 0.504 63.580 63.100 -0.040 0.000 0.800 223 P CB 0.170 31.838 31.700 -0.053 0.000 1.162 224 Q N 0.645 120.397 119.800 -0.080 0.000 2.314 224 Q HA 0.513 4.853 4.340 -0.000 0.000 0.259 224 Q C -0.044 175.922 176.000 -0.057 0.000 0.951 224 Q CA -0.683 54.990 55.803 -0.215 0.000 0.909 224 Q CB 2.065 30.762 28.738 -0.068 0.000 1.236 224 Q HN 0.014 nan 8.270 nan 0.000 0.444 225 A N 4.570 127.280 122.820 -0.183 0.000 2.522 225 A HA 0.397 4.717 4.320 -0.000 0.000 0.256 225 A C 0.234 177.890 177.584 0.121 0.000 1.086 225 A CA -0.026 52.000 52.037 -0.019 0.000 0.763 225 A CB -0.474 18.493 19.000 -0.056 0.000 1.024 225 A HN 0.746 nan 8.150 nan 0.000 0.502 226 I N 0.442 121.071 120.570 0.097 0.000 2.828 226 I HA 0.703 4.873 4.170 -0.000 0.000 0.302 226 I C -2.811 173.248 176.117 -0.096 0.000 1.101 226 I CA -3.014 58.316 61.300 0.049 0.000 1.031 226 I CB 2.799 40.816 38.000 0.029 0.000 1.231 226 I HN 0.309 nan 8.210 nan 0.000 0.427 227 P HA 0.266 nan 4.420 nan 0.000 0.275 227 P C -2.328 174.783 177.300 -0.315 0.000 1.227 227 P CA -1.466 61.503 63.100 -0.219 0.000 0.781 227 P CB 0.502 32.084 31.700 -0.197 0.000 0.906 228 P HA -0.210 nan 4.420 nan 0.000 0.218 228 P C 1.298 178.480 177.300 -0.197 0.000 1.150 228 P CA 1.727 64.677 63.100 -0.250 0.000 0.841 228 P CB -0.783 30.794 31.700 -0.206 0.000 0.784 229 Y N -2.206 118.036 120.300 -0.096 0.000 2.639 229 Y HA 0.073 4.623 4.550 -0.000 0.000 0.297 229 Y C 1.516 177.347 175.900 -0.115 0.000 1.151 229 Y CA 0.426 58.490 58.100 -0.061 0.000 1.335 229 Y CB -1.363 37.122 38.460 0.041 0.000 0.994 229 Y HN -0.065 nan 8.280 nan 0.000 0.548 230 L N 0.578 121.486 121.223 -0.526 0.000 2.590 230 L HA 0.239 4.579 4.340 -0.000 0.000 0.227 230 L C 0.513 177.193 176.870 -0.317 0.000 1.099 230 L CA -0.140 54.410 54.840 -0.484 0.000 0.872 230 L CB 0.164 41.864 42.059 -0.599 0.000 1.088 230 L HN 0.136 nan 8.230 nan 0.000 0.479 231 I N 1.423 121.785 120.570 -0.347 0.000 2.587 231 I HA 0.141 4.310 4.170 -0.000 0.000 0.284 231 I C 0.400 176.446 176.117 -0.119 0.000 1.134 231 I CA 0.128 61.174 61.300 -0.422 0.000 1.410 231 I CB 0.496 38.062 38.000 -0.723 0.000 1.392 231 I HN 0.039 nan 8.210 nan 0.000 0.545 232 A N 8.025 130.819 122.820 -0.042 0.000 2.515 232 A HA 0.886 5.206 4.320 -0.000 0.000 0.296 232 A C -1.031 176.587 177.584 0.056 0.000 1.094 232 A CA -0.556 51.483 52.037 0.004 0.000 0.718 232 A CB 2.179 21.031 19.000 -0.247 0.000 1.307 232 A HN 0.691 nan 8.150 nan 0.000 0.408 233 I N 0.480 121.063 120.570 0.023 0.000 2.692 233 I HA 0.672 4.841 4.170 -0.000 0.000 0.293 233 I C -0.306 175.794 176.117 -0.030 0.000 1.200 233 I CA -0.378 60.848 61.300 -0.124 0.000 1.036 233 I CB 2.204 40.008 38.000 -0.327 0.000 1.258 233 I HN 0.894 nan 8.210 nan 0.000 0.421 234 G N 6.293 114.997 108.800 -0.160 0.000 2.643 234 G HA2 0.650 4.610 3.960 -0.000 0.000 0.305 234 G HA3 0.650 4.610 3.960 -0.000 0.000 0.305 234 G C -1.887 172.784 174.900 -0.382 0.000 1.387 234 G CA -0.378 44.589 45.100 -0.221 0.000 0.982 234 G HN 0.388 nan 8.290 nan 0.000 0.501 235 V N 1.195 120.833 119.914 -0.460 0.000 2.525 235 V HA 0.977 5.097 4.120 -0.000 0.000 0.299 235 V C 0.525 176.241 176.094 -0.631 0.000 1.034 235 V CA 0.282 62.346 62.300 -0.393 0.000 0.863 235 V CB 1.108 32.840 31.823 -0.152 0.000 0.999 235 V HN 1.390 nan 8.190 nan 0.000 0.423 236 G N 2.557 111.020 108.800 -0.561 0.000 2.427 236 G HA2 0.369 4.329 3.960 -0.000 0.000 0.306 236 G HA3 0.369 4.329 3.960 -0.000 0.000 0.306 236 G C -1.640 173.144 174.900 -0.193 0.000 1.280 236 G CA -0.578 44.218 45.100 -0.508 0.000 0.837 236 G HN 0.448 nan 8.290 nan 0.000 0.482 237 D N 0.976 121.347 120.400 -0.048 0.000 2.600 237 D HA 0.312 4.952 4.640 -0.000 0.000 0.226 237 D C 0.442 176.798 176.300 0.093 0.000 1.119 237 D CA 0.115 54.139 54.000 0.039 0.000 1.051 237 D CB -0.618 40.222 40.800 0.067 0.000 1.106 237 D HN 0.301 nan 8.370 nan 0.000 0.491 238 L N 2.176 123.443 121.223 0.073 0.000 2.325 238 L HA 0.414 4.754 4.340 -0.000 0.000 0.279 238 L C 0.781 177.753 176.870 0.169 0.000 1.054 238 L CA -0.729 54.198 54.840 0.145 0.000 0.804 238 L CB 1.306 43.450 42.059 0.141 0.000 1.200 238 L HN 0.037 nan 8.230 nan 0.000 0.436 239 E N 1.994 122.296 120.200 0.171 0.000 2.320 239 E HA 0.497 4.847 4.350 -0.000 0.000 0.264 239 E C -1.485 175.188 176.600 0.121 0.000 0.923 239 E CA -0.595 55.884 56.400 0.132 0.000 0.796 239 E CB 3.167 32.909 29.700 0.070 0.000 1.262 239 E HN 0.336 nan 8.360 nan 0.000 0.428 240 F N 0.811 120.680 119.950 -0.136 0.000 2.557 240 F HA 0.424 4.951 4.527 -0.000 0.000 0.316 240 F C -0.999 174.664 175.800 -0.228 0.000 1.141 240 F CA -0.510 57.280 58.000 -0.350 0.000 0.922 240 F CB 1.240 39.890 39.000 -0.583 0.000 1.194 240 F HN 0.141 nan 8.300 nan 0.000 0.443 241 K N 4.831 124.635 120.400 -0.994 0.000 2.371 241 K HA 0.815 5.134 4.320 -0.000 0.000 0.251 241 K C -0.793 175.120 176.600 -1.145 0.000 0.934 241 K CA -1.054 54.792 56.287 -0.736 0.000 0.798 241 K CB 2.236 34.517 32.500 -0.365 0.000 1.204 241 K HN 0.673 nan 8.250 nan 0.000 0.427 242 A N 1.896 124.314 122.820 -0.669 0.000 2.274 242 A HA 0.559 4.879 4.320 -0.000 0.000 0.297 242 A C 0.438 177.881 177.584 -0.234 0.000 1.191 242 A CA -0.176 51.619 52.037 -0.403 0.000 0.889 242 A CB 0.540 19.520 19.000 -0.033 0.000 1.294 242 A HN 0.870 nan 8.150 nan 0.000 0.506 243 M N -1.091 118.438 119.600 -0.119 0.000 2.227 243 M HA 0.112 4.592 4.480 -0.000 0.000 0.226 243 M C 0.745 177.036 176.300 -0.016 0.000 1.423 243 M CA 0.747 56.009 55.300 -0.063 0.000 1.055 243 M CB 0.416 32.991 32.600 -0.042 0.000 1.572 243 M HN 0.827 nan 8.290 nan 0.000 0.567 244 S N -0.935 114.757 115.700 -0.013 0.000 2.921 244 S HA 0.331 4.801 4.470 -0.000 0.000 0.315 244 S C 0.744 175.360 174.600 0.027 0.000 1.087 244 S CA -0.577 57.627 58.200 0.008 0.000 0.877 244 S CB 0.126 63.287 63.200 -0.066 0.000 1.340 244 S HN 0.461 nan 8.310 nan 0.000 0.622 245 H N 0.263 119.370 119.070 0.061 0.000 2.470 245 H HA 0.108 4.664 4.556 -0.000 0.000 0.289 245 H C 1.000 176.387 175.328 0.098 0.000 1.033 245 H CA 1.288 57.380 56.048 0.073 0.000 1.331 245 H CB -0.142 29.657 29.762 0.061 0.000 1.414 245 H HN 0.819 nan 8.280 nan 0.000 0.545 246 Q N 1.264 120.819 119.800 -0.408 0.000 2.110 246 Q HA 0.217 4.557 4.340 -0.000 0.000 0.232 246 Q C -0.473 175.507 176.000 -0.033 0.000 0.810 246 Q CA -0.205 55.522 55.803 -0.128 0.000 1.083 246 Q CB 0.825 29.488 28.738 -0.125 0.000 1.193 246 Q HN 0.287 nan 8.270 nan 0.000 0.471 247 T N -2.735 111.799 114.554 -0.033 0.000 2.921 247 T HA 0.819 5.169 4.350 -0.000 0.000 0.297 247 T C -0.105 174.599 174.700 0.007 0.000 1.013 247 T CA -0.228 61.885 62.100 0.021 0.000 0.990 247 T CB 1.928 70.812 68.868 0.027 0.000 1.023 247 T HN 0.280 nan 8.240 nan 0.000 0.447 248 G N 1.548 110.347 108.800 -0.001 0.000 2.788 248 G HA2 0.753 4.713 3.960 -0.000 0.000 0.293 248 G HA3 0.753 4.713 3.960 -0.000 0.000 0.293 248 G C -1.741 173.011 174.900 -0.246 0.000 1.392 248 G CA -1.049 43.926 45.100 -0.208 0.000 0.810 248 G HN 0.907 nan 8.290 nan 0.000 0.508 249 I N -0.634 119.611 120.570 -0.542 0.000 2.730 249 I HA 0.462 4.632 4.170 -0.000 0.000 0.298 249 I C -1.554 174.328 176.117 -0.392 0.000 1.089 249 I CA -0.836 60.285 61.300 -0.298 0.000 1.041 249 I CB 2.688 40.580 38.000 -0.180 0.000 1.235 249 I HN 0.407 nan 8.210 nan 0.000 0.423 250 Y N 3.350 123.626 120.300 -0.040 0.000 2.376 250 Y HA 0.836 5.386 4.550 -0.000 0.000 0.340 250 Y C 0.195 176.075 175.900 -0.032 0.000 0.965 250 Y CA -0.450 57.669 58.100 0.032 0.000 1.078 250 Y CB 2.135 40.621 38.460 0.044 0.000 1.193 250 Y HN 0.688 nan 8.280 nan 0.000 0.452 251 A N 1.519 124.414 122.820 0.125 0.000 2.467 251 A HA 0.498 4.818 4.320 -0.000 0.000 0.301 251 A C -0.758 176.889 177.584 0.105 0.000 1.126 251 A CA -0.930 51.145 52.037 0.064 0.000 0.632 251 A CB 0.943 19.906 19.000 -0.062 0.000 1.331 251 A HN 0.707 nan 8.150 nan 0.000 0.482 252 E N 0.775 121.056 120.200 0.136 0.000 2.311 252 E HA 0.347 4.697 4.350 -0.000 0.000 0.198 252 E C 0.258 176.998 176.600 0.233 0.000 1.115 252 E CA 0.448 56.994 56.400 0.244 0.000 1.140 252 E CB -0.075 29.857 29.700 0.388 0.000 1.204 252 E HN 0.663 nan 8.360 nan 0.000 0.446 253 S N -0.668 115.080 115.700 0.080 0.000 1.539 253 S HA -0.376 4.094 4.470 -0.000 0.000 0.239 253 S C 1.325 175.949 174.600 0.039 0.000 0.755 253 S CA 1.951 60.185 58.200 0.057 0.000 1.322 253 S CB -1.419 61.838 63.200 0.096 0.000 1.628 253 S HN 0.672 nan 8.310 nan 0.000 0.515 254 Y N 1.337 121.643 120.300 0.010 0.000 2.181 254 Y HA 0.212 4.762 4.550 -0.000 0.000 0.288 254 Y C 2.053 177.953 175.900 0.001 0.000 1.146 254 Y CA 1.646 59.749 58.100 0.006 0.000 1.164 254 Y CB -0.464 38.001 38.460 0.008 0.000 0.982 254 Y HN 0.494 nan 8.280 nan 0.000 0.515 255 I N -0.373 119.498 120.570 -1.165 0.000 3.860 255 I HA -0.024 4.146 4.170 -0.000 0.000 0.319 255 I C 1.804 177.680 176.117 -0.402 0.000 1.279 255 I CA 0.223 60.990 61.300 -0.887 0.000 1.220 255 I CB 0.001 37.233 38.000 -1.279 0.000 1.027 255 I HN 0.361 nan 8.210 nan 0.000 0.428 256 L N 1.158 122.208 121.223 -0.289 0.000 1.955 256 L HA -0.262 4.078 4.340 -0.000 0.000 0.213 256 L C 1.873 178.653 176.870 -0.149 0.000 1.072 256 L CA 2.155 56.892 54.840 -0.173 0.000 0.755 256 L CB -0.934 41.056 42.059 -0.115 0.000 0.888 256 L HN 0.214 nan 8.230 nan 0.000 0.432 257 D N -0.652 119.673 120.400 -0.125 0.000 2.264 257 D HA -0.052 4.588 4.640 -0.000 0.000 0.208 257 D C 2.032 178.262 176.300 -0.116 0.000 0.966 257 D CA 1.156 55.092 54.000 -0.108 0.000 0.864 257 D CB 0.124 40.878 40.800 -0.077 0.000 0.933 257 D HN 0.529 nan 8.370 nan 0.000 0.499 258 A N 0.825 123.565 122.820 -0.133 0.000 1.930 258 A HA 0.109 4.429 4.320 -0.000 0.000 0.215 258 A C 2.280 179.751 177.584 -0.189 0.000 1.176 258 A CA 1.448 53.402 52.037 -0.138 0.000 0.632 258 A CB -0.285 18.639 19.000 -0.127 0.000 0.819 258 A HN 0.203 nan 8.150 nan 0.000 0.445 259 A N -0.518 122.200 122.820 -0.170 0.000 1.929 259 A HA 0.053 4.373 4.320 -0.000 0.000 0.216 259 A C 2.128 179.627 177.584 -0.142 0.000 1.176 259 A CA 1.608 53.562 52.037 -0.138 0.000 0.628 259 A CB -0.761 18.261 19.000 0.037 0.000 0.816 259 A HN 0.342 nan 8.150 nan 0.000 0.444 260 V N -0.241 119.610 119.914 -0.106 0.000 2.626 260 V HA -0.176 3.944 4.120 -0.000 0.000 0.252 260 V C 2.880 178.909 176.094 -0.108 0.000 1.067 260 V CA 1.679 63.926 62.300 -0.088 0.000 1.081 260 V CB -0.855 30.898 31.823 -0.117 0.000 0.686 260 V HN 0.592 nan 8.190 nan 0.000 0.468 261 A N -0.497 122.236 122.820 -0.146 0.000 2.067 261 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 261 A C 2.134 179.601 177.584 -0.196 0.000 1.156 261 A CA 1.483 53.438 52.037 -0.137 0.000 0.683 261 A CB -0.219 18.711 19.000 -0.117 0.000 0.808 261 A HN 0.508 nan 8.150 nan 0.000 0.455 262 E N -1.258 118.711 120.200 -0.384 0.000 2.190 262 E HA 0.082 4.432 4.350 -0.000 0.000 0.191 262 E C 0.138 176.371 176.600 -0.612 0.000 0.978 262 E CA 0.753 56.782 56.400 -0.619 0.000 0.839 262 E CB -0.027 28.991 29.700 -1.138 0.000 0.787 262 E HN 0.555 nan 8.360 nan 0.000 0.473 263 F N 0.426 120.393 119.950 0.028 0.000 2.764 263 F HA 0.209 4.736 4.527 -0.000 0.000 0.310 263 F C 0.360 176.187 175.800 0.045 0.000 1.124 263 F CA -0.568 57.467 58.000 0.057 0.000 1.252 263 F CB 0.322 39.353 39.000 0.052 0.000 1.010 263 F HN -0.070 nan 8.300 nan 0.000 0.518 264 D N -1.149 119.313 120.400 0.103 0.000 2.346 264 D HA -0.078 4.562 4.640 -0.000 0.000 0.248 264 D C 0.609 176.950 176.300 0.069 0.000 1.173 264 D CA 0.463 54.502 54.000 0.064 0.000 0.878 264 D CB -0.268 40.535 40.800 0.007 0.000 0.919 264 D HN 0.261 nan 8.370 nan 0.000 0.513 265 D N -0.324 120.149 120.400 0.122 0.000 2.449 265 D HA -0.066 4.574 4.640 -0.000 0.000 0.210 265 D C 1.923 178.295 176.300 0.121 0.000 1.094 265 D CA 0.659 54.717 54.000 0.096 0.000 0.846 265 D CB 0.452 41.336 40.800 0.141 0.000 1.003 265 D HN 0.377 nan 8.370 nan 0.000 0.504 266 T N -0.629 114.026 114.554 0.168 0.000 2.881 266 T HA -0.219 4.131 4.350 -0.000 0.000 0.270 266 T C 1.918 176.672 174.700 0.090 0.000 1.068 266 T CA 1.113 63.313 62.100 0.167 0.000 1.131 266 T CB 0.077 69.088 68.868 0.239 0.000 0.871 266 T HN -0.148 nan 8.240 nan 0.000 0.479 267 Q N 1.723 121.558 119.800 0.059 0.000 2.124 267 Q HA 0.137 4.477 4.340 -0.000 0.000 0.202 267 Q C 2.379 178.392 176.000 0.020 0.000 0.977 267 Q CA 1.906 57.717 55.803 0.014 0.000 0.850 267 Q CB -1.036 27.706 28.738 0.008 0.000 0.901 267 Q HN 0.707 nan 8.270 nan 0.000 0.429 268 A N -0.038 122.796 122.820 0.023 0.000 1.873 268 A HA -0.177 4.143 4.320 -0.000 0.000 0.215 268 A C 2.121 179.712 177.584 0.011 0.000 1.186 268 A CA 1.707 53.746 52.037 0.004 0.000 0.616 268 A CB -0.585 18.395 19.000 -0.032 0.000 0.823 268 A HN 0.503 nan 8.150 nan 0.000 0.442 269 M N -0.571 119.053 119.600 0.040 0.000 2.106 269 M HA -0.178 4.302 4.480 -0.000 0.000 0.259 269 M C 1.970 178.274 176.300 0.007 0.000 1.068 269 M CA 1.743 57.068 55.300 0.042 0.000 1.100 269 M CB -0.593 32.054 32.600 0.078 0.000 1.351 269 M HN 0.396 nan 8.290 nan 0.000 0.404 270 I N -0.394 120.171 120.570 -0.008 0.000 2.546 270 I HA -0.229 3.941 4.170 -0.000 0.000 0.255 270 I C 1.599 177.744 176.117 0.046 0.000 1.163 270 I CA 0.784 62.082 61.300 -0.003 0.000 1.457 270 I CB -0.472 37.461 38.000 -0.113 0.000 1.092 270 I HN 0.272 nan 8.210 nan 0.000 0.434 271 D N 0.759 121.177 120.400 0.029 0.000 2.201 271 D HA -0.069 4.571 4.640 -0.000 0.000 0.209 271 D C 2.112 178.413 176.300 0.001 0.000 0.961 271 D CA 0.736 54.759 54.000 0.038 0.000 0.861 271 D CB -0.048 40.776 40.800 0.040 0.000 0.997 271 D HN 0.100 nan 8.370 nan 0.000 0.486 272 K N 1.194 121.579 120.400 -0.025 0.000 2.148 272 K HA 0.032 4.352 4.320 -0.000 0.000 0.204 272 K C 1.943 178.466 176.600 -0.127 0.000 1.050 272 K CA 0.590 56.837 56.287 -0.066 0.000 0.942 272 K CB -0.276 32.188 32.500 -0.061 0.000 0.724 272 K HN 0.043 nan 8.250 nan 0.000 0.446 273 A N 1.033 123.781 122.820 -0.120 0.000 1.968 273 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 273 A C 2.002 179.432 177.584 -0.257 0.000 1.169 273 A CA 1.137 53.022 52.037 -0.252 0.000 0.638 273 A CB -0.214 18.645 19.000 -0.236 0.000 0.812 273 A HN 0.320 nan 8.150 nan 0.000 0.446 274 E N -0.556 119.624 120.200 -0.034 0.000 2.216 274 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 274 E C 2.128 178.737 176.600 0.016 0.000 0.988 274 E CA 0.620 57.083 56.400 0.104 0.000 0.834 274 E CB -0.054 29.767 29.700 0.201 0.000 0.772 274 E HN 0.702 nan 8.360 nan 0.000 0.479 275 Q N -0.269 119.498 119.800 -0.054 0.000 2.119 275 Q HA -0.155 4.184 4.340 -0.000 0.000 0.201 275 Q C 2.215 178.152 176.000 -0.105 0.000 0.972 275 Q CA 1.647 57.414 55.803 -0.059 0.000 0.847 275 Q CB 0.039 28.734 28.738 -0.071 0.000 0.903 275 Q HN 0.424 nan 8.270 nan 0.000 0.433 276 M N -3.059 116.387 119.600 -0.256 0.000 2.657 276 M HA 0.064 4.544 4.480 -0.000 0.000 0.262 276 M C 0.924 177.081 176.300 -0.238 0.000 1.213 276 M CA 1.140 56.211 55.300 -0.381 0.000 1.182 276 M CB -0.072 32.133 32.600 -0.659 0.000 1.303 276 M HN 0.026 nan 8.290 nan 0.000 0.501 277 Y N 1.969 122.206 120.300 -0.105 0.000 2.457 277 Y HA 0.516 5.066 4.550 -0.000 0.000 0.263 277 Y C 1.263 177.219 175.900 0.094 0.000 1.164 277 Y CA -0.157 57.867 58.100 -0.126 0.000 1.274 277 Y CB 0.431 38.612 38.460 -0.464 0.000 1.097 277 Y HN 0.530 nan 8.280 nan 0.000 0.523 278 G N 1.515 110.479 108.800 0.274 0.000 2.592 278 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.684 278 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.684 278 G C -1.099 174.074 174.900 0.455 0.000 1.291 278 G CA -0.882 44.425 45.100 0.344 0.000 0.891 278 G HN 0.187 nan 8.290 nan 0.000 0.544 279 K N -0.689 119.903 120.400 0.321 0.000 2.355 279 K HA 0.399 4.719 4.320 -0.000 0.000 0.270 279 K C -0.085 176.700 176.600 0.308 0.000 1.003 279 K CA -0.520 55.942 56.287 0.292 0.000 0.957 279 K CB 0.351 32.937 32.500 0.143 0.000 0.939 279 K HN 0.789 nan 8.250 nan 0.000 0.482 280 Y N 4.549 124.960 120.300 0.185 0.000 2.616 280 Y HA 0.121 4.671 4.550 -0.000 0.000 0.350 280 Y C 0.223 176.046 175.900 -0.129 0.000 1.119 280 Y CA -0.018 58.041 58.100 -0.069 0.000 1.467 280 Y CB 0.234 38.760 38.460 0.111 0.000 1.287 280 Y HN 0.644 nan 8.280 nan 0.000 0.504 281 R N 3.195 123.334 120.500 -0.602 0.000 2.369 281 R HA -0.119 4.221 4.340 -0.000 0.000 0.200 281 R C -0.095 175.756 176.300 -0.748 0.000 1.046 281 R CA 0.971 56.694 56.100 -0.628 0.000 1.057 281 R CB -0.076 29.779 30.300 -0.742 0.000 0.888 281 R HN 0.749 nan 8.270 nan 0.000 0.474 282 W N -1.153 119.803 121.300 -0.573 0.000 3.127 282 W HA 0.346 5.006 4.660 -0.000 0.000 0.344 282 W C 1.513 178.004 176.519 -0.047 0.000 1.151 282 W CA 0.270 57.407 57.345 -0.346 0.000 1.765 282 W CB 0.432 29.600 29.460 -0.486 0.000 1.085 282 W HN 0.191 nan 8.180 nan 0.000 0.596 283 G N 1.287 110.258 108.800 0.284 0.000 4.039 283 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.220 283 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.220 283 G C 0.596 175.752 174.900 0.426 0.000 1.391 283 G CA 0.690 45.989 45.100 0.332 0.000 0.920 283 G HN 0.328 nan 8.290 nan 0.000 0.599 284 R N -0.877 119.887 120.500 0.441 0.000 2.854 284 R HA 0.700 5.040 4.340 -0.000 0.000 0.271 284 R C -1.562 175.029 176.300 0.485 0.000 0.996 284 R CA -0.933 55.379 56.100 0.354 0.000 0.961 284 R CB 1.411 31.853 30.300 0.235 0.000 1.182 284 R HN 0.625 nan 8.270 nan 0.000 0.479 285 Y N 2.552 122.966 120.300 0.190 0.000 2.317 285 Y HA 0.402 4.952 4.550 -0.000 0.000 0.325 285 Y C -1.687 174.284 175.900 0.119 0.000 1.066 285 Y CA -0.899 57.296 58.100 0.160 0.000 1.203 285 Y CB 1.221 39.673 38.460 -0.013 0.000 1.127 285 Y HN 0.739 nan 8.280 nan 0.000 0.451 286 D N 3.854 124.019 120.400 -0.392 0.000 2.449 286 D HA 0.555 5.195 4.640 -0.000 0.000 0.250 286 D C -1.382 174.678 176.300 -0.400 0.000 1.050 286 D CA -0.367 53.501 54.000 -0.219 0.000 1.024 286 D CB 2.305 43.215 40.800 0.184 0.000 1.218 286 D HN 0.367 nan 8.370 nan 0.000 0.566 287 L N 0.837 121.954 121.223 -0.177 0.000 2.386 287 L HA 0.413 4.753 4.340 -0.000 0.000 0.271 287 L C -1.080 175.742 176.870 -0.080 0.000 0.993 287 L CA -0.815 53.900 54.840 -0.208 0.000 0.819 287 L CB 1.659 43.559 42.059 -0.265 0.000 1.294 287 L HN 0.197 nan 8.230 nan 0.000 0.414 288 L N 4.523 125.637 121.223 -0.181 0.000 2.345 288 L HA 0.600 4.940 4.340 -0.000 0.000 0.274 288 L C -0.954 175.732 176.870 -0.307 0.000 0.999 288 L CA -0.498 54.198 54.840 -0.241 0.000 0.849 288 L CB 1.139 42.875 42.059 -0.538 0.000 1.220 288 L HN 0.409 nan 8.230 nan 0.000 0.422 289 M N 5.437 124.925 119.600 -0.186 0.000 2.184 289 M HA 0.278 4.757 4.480 -0.000 0.000 0.351 289 M C -0.452 175.680 176.300 -0.280 0.000 1.395 289 M CA -0.077 55.106 55.300 -0.196 0.000 1.117 289 M CB 0.570 33.108 32.600 -0.104 0.000 1.708 289 M HN 0.456 nan 8.290 nan 0.000 0.468 290 L N 6.384 127.350 121.223 -0.428 0.000 2.400 290 L HA 0.608 4.948 4.340 -0.000 0.000 0.264 290 L C -1.783 174.845 176.870 -0.403 0.000 1.061 290 L CA -1.447 53.020 54.840 -0.621 0.000 0.799 290 L CB 0.129 41.594 42.059 -0.989 0.000 1.240 290 L HN 0.477 nan 8.230 nan 0.000 0.461 291 P HA 0.173 nan 4.420 nan 0.000 0.274 291 P C -2.322 174.962 177.300 -0.026 0.000 1.237 291 P CA -1.544 61.443 63.100 -0.189 0.000 0.793 291 P CB -0.028 31.531 31.700 -0.234 0.000 0.977 292 P HA -0.179 nan 4.420 nan 0.000 0.222 292 P C 1.596 178.963 177.300 0.111 0.000 1.139 292 P CA 1.526 64.669 63.100 0.073 0.000 0.790 292 P CB -0.202 31.529 31.700 0.052 0.000 0.757 293 S N -1.888 113.902 115.700 0.150 0.000 2.489 293 S HA -0.061 4.409 4.470 -0.000 0.000 0.228 293 S C 0.644 175.446 174.600 0.337 0.000 0.995 293 S CA -0.389 57.954 58.200 0.238 0.000 0.934 293 S CB -0.939 62.419 63.200 0.263 0.000 0.771 293 S HN -0.038 nan 8.310 nan 0.000 0.522 294 F N 4.563 124.583 119.950 0.117 0.000 2.593 294 F HA 0.203 4.730 4.527 -0.000 0.000 0.393 294 F C -1.148 174.735 175.800 0.138 0.000 1.037 294 F CA -2.359 55.716 58.000 0.125 0.000 1.195 294 F CB 0.777 39.733 39.000 -0.073 0.000 1.034 294 F HN 0.120 nan 8.300 nan 0.000 0.552 295 P HA -0.179 nan 4.420 nan 0.000 0.217 295 P C 0.351 177.373 177.300 -0.463 0.000 1.150 295 P CA 1.542 64.480 63.100 -0.269 0.000 0.832 295 P CB 0.098 31.677 31.700 -0.202 0.000 0.787 296 F N -0.663 118.679 119.950 -1.014 0.000 2.476 296 F HA 0.562 5.089 4.527 -0.000 0.000 0.358 296 F C 2.334 177.944 175.800 -0.317 0.000 1.091 296 F CA -0.155 57.467 58.000 -0.631 0.000 1.131 296 F CB -0.777 37.885 39.000 -0.562 0.000 1.653 296 F HN -0.259 nan 8.300 nan 0.000 0.518 297 G N -1.388 107.533 108.800 0.202 0.000 2.656 297 G HA2 0.460 4.420 3.960 -0.000 0.000 0.211 297 G HA3 0.460 4.420 3.960 -0.000 0.000 0.211 297 G C 0.120 175.282 174.900 0.437 0.000 1.137 297 G CA 0.424 45.682 45.100 0.262 0.000 0.802 297 G HN 0.980 nan 8.290 nan 0.000 0.527 298 G N -0.599 108.534 108.800 0.554 0.000 2.402 298 G HA2 0.391 4.351 3.960 -0.000 0.000 0.301 298 G HA3 0.391 4.351 3.960 -0.000 0.000 0.301 298 G C -1.612 173.505 174.900 0.362 0.000 1.615 298 G CA -0.712 44.705 45.100 0.530 0.000 0.889 298 G HN 0.050 nan 8.290 nan 0.000 0.647 299 M N 2.193 121.942 119.600 0.247 0.000 2.268 299 M HA 0.329 4.809 4.480 -0.000 0.000 0.344 299 M C 0.734 177.040 176.300 0.010 0.000 1.106 299 M CA -1.283 54.040 55.300 0.038 0.000 1.010 299 M CB 1.482 34.002 32.600 -0.133 0.000 1.649 299 M HN 0.711 nan 8.290 nan 0.000 0.443 300 E N 3.114 123.296 120.200 -0.030 0.000 2.676 300 E HA 0.027 4.377 4.350 -0.000 0.000 0.318 300 E C -0.996 175.520 176.600 -0.140 0.000 1.514 300 E CA 0.017 56.399 56.400 -0.030 0.000 1.667 300 E CB -1.204 28.448 29.700 -0.081 0.000 1.336 300 E HN 0.556 nan 8.360 nan 0.000 0.492 301 N N 3.964 122.583 118.700 -0.136 0.000 2.452 301 N HA 0.081 4.821 4.740 -0.000 0.000 0.266 301 N C -2.329 173.073 175.510 -0.180 0.000 1.175 301 N CA -1.286 51.645 53.050 -0.197 0.000 0.945 301 N CB 0.592 38.962 38.487 -0.195 0.000 1.063 301 N HN 0.258 nan 8.380 nan 0.000 0.472 302 P HA -0.164 nan 4.420 nan 0.000 0.259 302 P C -0.258 176.927 177.300 -0.192 0.000 1.163 302 P CA 0.644 63.441 63.100 -0.505 0.000 0.760 302 P CB 0.518 31.742 31.700 -0.793 0.000 0.762 303 R N -0.615 119.847 120.500 -0.064 0.000 3.943 303 R HA -0.173 4.167 4.340 -0.000 0.000 0.459 303 R C 0.345 176.666 176.300 0.036 0.000 0.939 303 R CA 1.146 57.311 56.100 0.107 0.000 1.515 303 R CB -1.329 29.041 30.300 0.118 0.000 2.164 303 R HN 0.438 nan 8.270 nan 0.000 0.516 304 L N 1.272 122.492 121.223 -0.005 0.000 2.595 304 L HA 0.350 4.689 4.340 -0.000 0.000 0.259 304 L C -0.926 175.983 176.870 0.065 0.000 1.033 304 L CA -0.015 54.814 54.840 -0.018 0.000 0.901 304 L CB 1.842 43.901 42.059 -0.001 0.000 1.151 304 L HN 0.013 nan 8.230 nan 0.000 0.453 305 S N 3.909 119.588 115.700 -0.034 0.000 2.499 305 S HA 0.486 4.956 4.470 -0.000 0.000 0.275 305 S C -0.301 174.362 174.600 0.105 0.000 1.257 305 S CA -0.200 58.046 58.200 0.077 0.000 1.050 305 S CB 0.341 63.596 63.200 0.092 0.000 0.937 305 S HN 0.319 nan 8.310 nan 0.000 0.490 306 F N 3.969 123.792 119.950 -0.213 0.000 2.438 306 F HA 0.363 4.890 4.527 -0.000 0.000 0.360 306 F C 0.363 175.905 175.800 -0.430 0.000 1.118 306 F CA -1.007 56.750 58.000 -0.406 0.000 1.164 306 F CB 0.103 38.758 39.000 -0.575 0.000 1.131 306 F HN 0.281 nan 8.300 nan 0.000 0.527 307 I N 2.190 122.596 120.570 -0.273 0.000 2.493 307 I HA 0.172 4.342 4.170 -0.000 0.000 0.298 307 I C 0.524 176.552 176.117 -0.147 0.000 0.998 307 I CA -0.600 60.607 61.300 -0.155 0.000 1.137 307 I CB 1.698 39.587 38.000 -0.185 0.000 1.310 307 I HN 0.331 nan 8.210 nan 0.000 0.445 308 T N 6.797 121.402 114.554 0.085 0.000 2.919 308 T HA 0.209 4.559 4.350 -0.000 0.000 0.302 308 T C -1.217 173.541 174.700 0.097 0.000 1.031 308 T CA -1.261 60.933 62.100 0.157 0.000 1.127 308 T CB 0.942 69.978 68.868 0.280 0.000 0.952 308 T HN 0.469 nan 8.240 nan 0.000 0.540 309 P HA -0.058 nan 4.420 nan 0.000 0.226 309 P C 1.337 178.705 177.300 0.114 0.000 1.153 309 P CA 0.988 64.146 63.100 0.098 0.000 0.777 309 P CB -0.323 31.449 31.700 0.121 0.000 0.794 310 T N -2.280 112.339 114.554 0.109 0.000 3.051 310 T HA -0.051 4.299 4.350 -0.000 0.000 0.269 310 T C 1.590 176.354 174.700 0.106 0.000 1.127 310 T CA 1.111 63.269 62.100 0.095 0.000 1.107 310 T CB -1.265 67.644 68.868 0.069 0.000 0.898 310 T HN 0.099 nan 8.240 nan 0.000 0.517 311 V N -1.749 118.251 119.914 0.143 0.000 3.650 311 V HA 0.410 4.530 4.120 -0.000 0.000 0.271 311 V C 0.998 177.196 176.094 0.174 0.000 1.281 311 V CA -0.489 61.917 62.300 0.177 0.000 1.120 311 V CB -0.397 31.573 31.823 0.244 0.000 0.856 311 V HN 0.286 nan 8.190 nan 0.000 0.443 312 V N 2.213 122.206 119.914 0.133 0.000 2.229 312 V HA 0.544 4.664 4.120 -0.000 0.000 0.245 312 V C 1.582 177.674 176.094 -0.004 0.000 1.243 312 V CA 0.844 63.147 62.300 0.005 0.000 1.176 312 V CB -0.290 31.526 31.823 -0.013 0.000 1.323 312 V HN 0.497 nan 8.190 nan 0.000 0.499 313 A N 2.957 125.769 122.820 -0.013 0.000 1.997 313 A HA 0.494 4.814 4.320 -0.000 0.000 0.212 313 A C 2.005 179.574 177.584 -0.025 0.000 1.178 313 A CA 1.066 53.100 52.037 -0.005 0.000 0.698 313 A CB -0.045 18.959 19.000 0.007 0.000 0.842 313 A HN 1.428 nan 8.150 nan 0.000 0.458 314 G N -0.317 108.452 108.800 -0.052 0.000 2.211 314 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.201 314 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.201 314 G C 0.207 175.088 174.900 -0.032 0.000 0.997 314 G CA 0.939 46.010 45.100 -0.049 0.000 0.652 314 G HN 0.824 nan 8.290 nan 0.000 0.500 315 D N -0.740 119.650 120.400 -0.016 0.000 2.520 315 D HA 0.297 4.937 4.640 -0.000 0.000 0.223 315 D C 1.044 177.367 176.300 0.038 0.000 1.186 315 D CA 0.317 54.326 54.000 0.015 0.000 0.821 315 D CB -0.038 40.779 40.800 0.030 0.000 1.072 315 D HN 0.364 nan 8.370 nan 0.000 0.518 316 K N -0.154 120.255 120.400 0.015 0.000 3.339 316 K HA -0.218 4.102 4.320 -0.000 0.000 0.299 316 K C 1.066 177.690 176.600 0.040 0.000 1.270 316 K CA 0.858 57.171 56.287 0.044 0.000 0.875 316 K CB -2.051 30.526 32.500 0.128 0.000 1.298 316 K HN 0.393 nan 8.250 nan 0.000 0.485 317 S N 0.004 115.737 115.700 0.054 0.000 2.371 317 S HA -0.050 4.420 4.470 -0.000 0.000 0.224 317 S C 1.353 175.998 174.600 0.075 0.000 1.029 317 S CA 0.508 58.768 58.200 0.100 0.000 0.978 317 S CB 0.067 63.321 63.200 0.089 0.000 0.833 317 S HN 0.201 nan 8.310 nan 0.000 0.466 318 L N 2.023 123.275 121.223 0.050 0.000 2.627 318 L HA 0.341 4.681 4.340 -0.000 0.000 0.232 318 L C 1.806 178.744 176.870 0.114 0.000 1.150 318 L CA -0.013 54.861 54.840 0.057 0.000 0.917 318 L CB -1.429 40.669 42.059 0.064 0.000 1.104 318 L HN 0.213 nan 8.230 nan 0.000 0.445 319 V N 1.546 121.525 119.914 0.110 0.000 2.759 319 V HA -0.224 3.896 4.120 -0.000 0.000 0.256 319 V C 2.288 178.455 176.094 0.121 0.000 1.080 319 V CA 1.348 63.751 62.300 0.172 0.000 1.101 319 V CB -0.601 31.309 31.823 0.145 0.000 0.698 319 V HN 0.677 nan 8.190 nan 0.000 0.477 320 N N 0.996 119.726 118.700 0.050 0.000 2.430 320 N HA -0.214 4.526 4.740 -0.000 0.000 0.186 320 N C 1.820 177.413 175.510 0.139 0.000 1.032 320 N CA 1.511 54.604 53.050 0.071 0.000 0.893 320 N CB -0.486 38.030 38.487 0.048 0.000 0.957 320 N HN 0.496 nan 8.380 nan 0.000 0.442 321 L N 1.095 122.403 121.223 0.143 0.000 2.012 321 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 321 L C 2.093 179.093 176.870 0.216 0.000 1.073 321 L CA 1.523 56.474 54.840 0.185 0.000 0.748 321 L CB -0.489 41.664 42.059 0.156 0.000 0.891 321 L HN 0.010 nan 8.230 nan 0.000 0.431 322 I N 0.187 120.852 120.570 0.159 0.000 2.493 322 I HA -0.171 3.999 4.170 -0.000 0.000 0.254 322 I C 2.590 178.810 176.117 0.172 0.000 1.160 322 I CA 1.239 62.621 61.300 0.137 0.000 1.445 322 I CB -1.886 36.163 38.000 0.082 0.000 1.086 322 I HN 0.427 nan 8.210 nan 0.000 0.433 323 A N 0.199 123.126 122.820 0.179 0.000 1.970 323 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 323 A C 2.245 179.928 177.584 0.166 0.000 1.170 323 A CA 1.397 53.527 52.037 0.155 0.000 0.645 323 A CB -0.850 18.242 19.000 0.154 0.000 0.816 323 A HN 0.477 nan 8.150 nan 0.000 0.447 324 H N 0.001 119.131 119.070 0.100 0.000 2.428 324 H HA 0.008 4.564 4.556 -0.000 0.000 0.296 324 H C 1.683 177.066 175.328 0.092 0.000 1.062 324 H CA 1.724 57.825 56.048 0.088 0.000 1.350 324 H CB 0.157 29.985 29.762 0.110 0.000 1.403 324 H HN 0.382 nan 8.280 nan 0.000 0.533 325 E N 0.133 120.369 120.200 0.060 0.000 2.230 325 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 325 E C 2.268 178.930 176.600 0.103 0.000 0.987 325 E CA 0.218 56.677 56.400 0.099 0.000 0.841 325 E CB -0.049 29.787 29.700 0.227 0.000 0.783 325 E HN 0.494 nan 8.360 nan 0.000 0.481 326 L N 0.538 121.777 121.223 0.027 0.000 2.291 326 L HA -0.018 4.322 4.340 -0.000 0.000 0.214 326 L C 2.129 179.124 176.870 0.208 0.000 1.120 326 L CA 0.722 55.498 54.840 -0.107 0.000 0.799 326 L CB -0.148 41.782 42.059 -0.214 0.000 0.925 326 L HN 0.012 nan 8.230 nan 0.000 0.446 327 A N -1.163 121.746 122.820 0.148 0.000 1.969 327 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 327 A C 1.952 179.671 177.584 0.224 0.000 1.169 327 A CA 1.072 53.234 52.037 0.208 0.000 0.635 327 A CB -0.690 18.354 19.000 0.074 0.000 0.810 327 A HN 0.505 nan 8.150 nan 0.000 0.445 328 H N 0.437 119.560 119.070 0.088 0.000 2.421 328 H HA -0.059 4.497 4.556 -0.000 0.000 0.298 328 H C 2.324 177.637 175.328 -0.024 0.000 1.087 328 H CA 1.359 57.419 56.048 0.020 0.000 1.330 328 H CB -0.289 29.443 29.762 -0.050 0.000 1.388 328 H HN 0.479 nan 8.280 nan 0.000 0.526 329 S N -0.223 115.525 115.700 0.079 0.000 2.441 329 S HA -0.194 4.276 4.470 -0.000 0.000 0.242 329 S C 1.739 176.133 174.600 -0.343 0.000 1.018 329 S CA 0.993 59.063 58.200 -0.217 0.000 0.988 329 S CB -0.132 62.851 63.200 -0.362 0.000 0.778 329 S HN 0.568 nan 8.310 nan 0.000 0.498 330 W N 1.107 122.274 121.300 -0.222 0.000 2.780 330 W HA 0.232 4.892 4.660 -0.000 0.000 0.272 330 W C 0.426 176.496 176.519 -0.748 0.000 1.116 330 W CA -0.013 56.895 57.345 -0.728 0.000 1.600 330 W CB -0.552 28.192 29.460 -1.192 0.000 1.086 330 W HN 0.146 nan 8.180 nan 0.000 0.584 331 S N 0.100 115.744 115.700 -0.092 0.000 2.461 331 S HA 0.600 5.070 4.470 -0.000 0.000 0.322 331 S C 0.493 175.216 174.600 0.205 0.000 1.063 331 S CA 0.184 58.446 58.200 0.103 0.000 1.120 331 S CB 1.166 64.563 63.200 0.328 0.000 0.968 331 S HN 0.471 nan 8.310 nan 0.000 0.467 332 G N 3.031 111.891 108.800 0.100 0.000 2.184 332 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.206 332 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.206 332 G C 0.370 175.292 174.900 0.037 0.000 0.995 332 G CA 0.168 45.342 45.100 0.123 0.000 0.651 332 G HN 0.618 nan 8.290 nan 0.000 0.511 333 N N -1.175 117.510 118.700 -0.025 0.000 2.509 333 N HA 0.314 5.054 4.740 -0.000 0.000 0.254 333 N C 1.692 177.260 175.510 0.096 0.000 1.064 333 N CA 0.491 53.498 53.050 -0.071 0.000 0.865 333 N CB -0.068 38.290 38.487 -0.214 0.000 1.659 333 N HN 0.194 nan 8.380 nan 0.000 0.495 334 L N 0.496 121.700 121.223 -0.033 0.000 2.102 334 L HA 0.305 4.645 4.340 -0.000 0.000 0.202 334 L C -0.505 176.178 176.870 -0.311 0.000 1.076 334 L CA 0.966 55.621 54.840 -0.307 0.000 0.761 334 L CB 0.362 42.072 42.059 -0.581 0.000 0.921 334 L HN -0.159 nan 8.230 nan 0.000 0.444 335 V N 0.519 120.293 119.914 -0.232 0.000 2.407 335 V HA 0.338 4.458 4.120 -0.000 0.000 0.291 335 V C -0.392 175.622 176.094 -0.132 0.000 1.018 335 V CA -0.582 61.602 62.300 -0.194 0.000 0.842 335 V CB 1.277 32.925 31.823 -0.293 0.000 0.996 335 V HN 0.355 nan 8.190 nan 0.000 0.426 336 T N 1.017 115.510 114.554 -0.102 0.000 2.863 336 T HA 0.434 4.784 4.350 -0.000 0.000 0.285 336 T C -0.183 174.443 174.700 -0.123 0.000 1.009 336 T CA -0.932 61.125 62.100 -0.072 0.000 0.989 336 T CB 1.416 70.274 68.868 -0.015 0.000 1.004 336 T HN 0.721 nan 8.240 nan 0.000 0.455 337 N N 2.372 120.981 118.700 -0.153 0.000 2.357 337 N HA -0.102 4.638 4.740 -0.000 0.000 0.257 337 N C 0.900 176.253 175.510 -0.262 0.000 1.250 337 N CA -0.006 52.916 53.050 -0.213 0.000 0.862 337 N CB 1.133 39.484 38.487 -0.226 0.000 1.066 337 N HN 0.968 nan 8.380 nan 0.000 0.468 338 E N 1.065 121.148 120.200 -0.194 0.000 2.152 338 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 338 E C 0.325 176.743 176.600 -0.302 0.000 0.983 338 E CA 0.530 56.806 56.400 -0.205 0.000 0.818 338 E CB -0.008 29.637 29.700 -0.091 0.000 0.758 338 E HN 0.724 nan 8.360 nan 0.000 0.467 339 S N -1.153 114.375 115.700 -0.286 0.000 2.810 339 S HA 0.288 4.758 4.470 -0.000 0.000 0.315 339 S C -0.441 173.884 174.600 -0.459 0.000 1.138 339 S CA -1.045 56.933 58.200 -0.370 0.000 0.889 339 S CB 0.076 63.243 63.200 -0.055 0.000 1.236 339 S HN 0.350 nan 8.310 nan 0.000 0.548 340 W N 0.435 121.722 121.300 -0.022 0.000 3.345 340 W HA 0.333 4.993 4.660 -0.000 0.000 0.282 340 W C 2.044 178.569 176.519 0.010 0.000 1.302 340 W CA -0.716 56.583 57.345 -0.076 0.000 1.724 340 W CB 0.136 29.465 29.460 -0.218 0.000 1.104 340 W HN 0.401 nan 8.180 nan 0.000 0.694 341 R N -0.025 120.622 120.500 0.245 0.000 2.290 341 R HA 0.024 4.364 4.340 -0.000 0.000 0.197 341 R C 0.251 176.819 176.300 0.448 0.000 0.913 341 R CA 0.660 56.911 56.100 0.252 0.000 1.040 341 R CB 0.074 30.457 30.300 0.138 0.000 0.992 341 R HN 0.264 nan 8.270 nan 0.000 0.500 342 D N 1.038 121.629 120.400 0.318 0.000 2.368 342 D HA -0.010 4.630 4.640 -0.000 0.000 0.218 342 D C 1.502 177.808 176.300 0.009 0.000 1.112 342 D CA -0.111 54.014 54.000 0.208 0.000 0.834 342 D CB 0.555 41.384 40.800 0.048 0.000 0.953 342 D HN 0.017 nan 8.370 nan 0.000 0.505 343 L N 1.606 122.943 121.223 0.191 0.000 2.261 343 L HA -0.097 4.242 4.340 -0.000 0.000 0.216 343 L C 1.865 178.810 176.870 0.124 0.000 1.114 343 L CA 1.280 56.227 54.840 0.178 0.000 0.777 343 L CB -0.658 41.566 42.059 0.275 0.000 0.910 343 L HN 0.371 nan 8.230 nan 0.000 0.440 344 W N -0.596 120.749 121.300 0.074 0.000 2.678 344 W HA -0.073 4.587 4.660 -0.000 0.000 0.256 344 W C 1.584 178.139 176.519 0.060 0.000 1.280 344 W CA -0.087 57.288 57.345 0.049 0.000 1.345 344 W CB -1.129 28.374 29.460 0.071 0.000 1.118 344 W HN 0.090 nan 8.180 nan 0.000 0.629 345 L N 1.058 121.731 121.223 -0.917 0.000 2.465 345 L HA -0.111 4.229 4.340 -0.000 0.000 0.224 345 L C 1.985 178.663 176.870 -0.320 0.000 1.145 345 L CA 1.009 55.216 54.840 -1.055 0.000 0.834 345 L CB -0.588 40.804 42.059 -1.110 0.000 0.944 345 L HN 0.021 nan 8.230 nan 0.000 0.451 346 N N -0.794 117.824 118.700 -0.137 0.000 2.324 346 N HA -0.091 4.649 4.740 -0.000 0.000 0.192 346 N C 1.719 177.315 175.510 0.144 0.000 1.046 346 N CA 0.660 53.744 53.050 0.057 0.000 0.898 346 N CB 0.235 38.767 38.487 0.075 0.000 1.079 346 N HN -0.010 nan 8.380 nan 0.000 0.456 347 E N 0.193 120.413 120.200 0.034 0.000 2.106 347 E HA -0.008 4.342 4.350 -0.000 0.000 0.192 347 E C 1.871 178.522 176.600 0.084 0.000 0.984 347 E CA 0.856 57.178 56.400 -0.130 0.000 0.806 347 E CB -0.823 28.274 29.700 -1.005 0.000 0.750 347 E HN 0.437 nan 8.360 nan 0.000 0.458 348 G N 1.088 110.002 108.800 0.190 0.000 2.639 348 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 348 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 348 G C 1.410 176.471 174.900 0.268 0.000 1.267 348 G CA 0.851 46.129 45.100 0.297 0.000 0.801 348 G HN 0.179 nan 8.290 nan 0.000 0.592 349 F N 1.228 121.251 119.950 0.121 0.000 2.154 349 F HA -0.091 4.436 4.527 -0.000 0.000 0.301 349 F C 3.203 179.148 175.800 0.241 0.000 1.087 349 F CA 1.808 59.908 58.000 0.166 0.000 1.274 349 F CB -0.688 38.403 39.000 0.151 0.000 1.009 349 F HN 0.074 nan 8.300 nan 0.000 0.485 350 T N -1.479 113.297 114.554 0.370 0.000 2.867 350 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 350 T C 2.241 177.126 174.700 0.309 0.000 1.057 350 T CA 1.482 63.700 62.100 0.197 0.000 1.136 350 T CB -0.270 68.498 68.868 -0.168 0.000 0.874 350 T HN 0.160 nan 8.240 nan 0.000 0.466 351 S N 0.175 116.097 115.700 0.369 0.000 2.387 351 S HA -0.029 4.441 4.470 -0.000 0.000 0.226 351 S C 1.651 176.412 174.600 0.268 0.000 1.026 351 S CA 0.624 59.029 58.200 0.342 0.000 0.972 351 S CB -0.363 63.046 63.200 0.347 0.000 0.814 351 S HN 0.635 nan 8.310 nan 0.000 0.477 352 Y N 2.270 122.656 120.300 0.145 0.000 2.114 352 Y HA -0.162 4.388 4.550 -0.000 0.000 0.284 352 Y C 2.178 178.175 175.900 0.161 0.000 1.143 352 Y CA 1.367 59.527 58.100 0.101 0.000 1.135 352 Y CB -0.446 38.007 38.460 -0.012 0.000 0.980 352 Y HN 0.012 nan 8.280 nan 0.000 0.499 353 V N 1.077 121.139 119.914 0.248 0.000 2.515 353 V HA -0.275 3.845 4.120 -0.000 0.000 0.250 353 V C 2.340 178.536 176.094 0.170 0.000 1.058 353 V CA 2.095 64.556 62.300 0.269 0.000 1.064 353 V CB -0.743 31.251 31.823 0.284 0.000 0.675 353 V HN 0.534 nan 8.190 nan 0.000 0.461 354 E N 0.782 121.086 120.200 0.173 0.000 2.049 354 E HA -0.322 4.028 4.350 -0.000 0.000 0.198 354 E C 2.196 178.847 176.600 0.084 0.000 1.007 354 E CA 1.994 58.492 56.400 0.164 0.000 0.809 354 E CB -0.328 29.524 29.700 0.253 0.000 0.749 354 E HN 0.700 nan 8.360 nan 0.000 0.450 355 N N -0.199 118.517 118.700 0.025 0.000 2.106 355 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 355 N C 1.992 177.470 175.510 -0.054 0.000 1.029 355 N CA 0.732 53.768 53.050 -0.024 0.000 0.848 355 N CB 0.025 38.474 38.487 -0.063 0.000 1.007 355 N HN 0.065 nan 8.380 nan 0.000 0.423 356 R N 1.283 121.714 120.500 -0.115 0.000 2.094 356 R HA -0.087 4.253 4.340 -0.000 0.000 0.239 356 R C 2.316 178.588 176.300 -0.048 0.000 1.137 356 R CA 0.836 56.874 56.100 -0.104 0.000 0.943 356 R CB -1.249 29.002 30.300 -0.082 0.000 0.850 356 R HN 0.428 nan 8.270 nan 0.000 0.433 357 I N 0.763 121.327 120.570 -0.009 0.000 2.423 357 I HA -0.288 3.881 4.170 -0.000 0.000 0.254 357 I C 2.128 178.291 176.117 0.076 0.000 1.151 357 I CA 1.002 62.308 61.300 0.011 0.000 1.421 357 I CB -0.178 37.850 38.000 0.048 0.000 1.079 357 I HN 0.095 nan 8.210 nan 0.000 0.431 358 M N -0.464 119.184 119.600 0.080 0.000 2.236 358 M HA -0.140 4.340 4.480 -0.000 0.000 0.266 358 M C 2.154 178.533 176.300 0.132 0.000 1.070 358 M CA 1.427 56.806 55.300 0.132 0.000 1.137 358 M CB -1.112 31.509 32.600 0.035 0.000 1.378 358 M HN 0.259 nan 8.290 nan 0.000 0.426 359 E N 0.432 120.658 120.200 0.043 0.000 2.047 359 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 359 E C 2.032 178.645 176.600 0.022 0.000 0.987 359 E CA 1.271 57.683 56.400 0.019 0.000 0.799 359 E CB 0.144 29.830 29.700 -0.024 0.000 0.752 359 E HN 0.409 nan 8.360 nan 0.000 0.449 360 A N 0.733 123.552 122.820 -0.000 0.000 1.883 360 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 360 A C 2.392 179.963 177.584 -0.021 0.000 1.186 360 A CA 2.223 54.245 52.037 -0.024 0.000 0.624 360 A CB -0.864 18.104 19.000 -0.053 0.000 0.822 360 A HN 0.336 nan 8.150 nan 0.000 0.444 361 V N -5.315 114.605 119.914 0.010 0.000 2.725 361 V HA 0.171 4.291 4.120 -0.000 0.000 0.247 361 V C 1.900 177.858 176.094 -0.227 0.000 1.058 361 V CA 1.435 63.676 62.300 -0.098 0.000 1.080 361 V CB -0.603 31.159 31.823 -0.102 0.000 0.713 361 V HN 0.324 nan 8.190 nan 0.000 0.465 362 F N 1.725 121.661 119.950 -0.024 0.000 2.724 362 F HA 0.734 5.260 4.527 -0.000 0.000 0.306 362 F C 1.329 177.101 175.800 -0.047 0.000 1.100 362 F CA 0.472 58.454 58.000 -0.031 0.000 1.255 362 F CB 0.648 39.629 39.000 -0.031 0.000 1.072 362 F HN 0.516 nan 8.300 nan 0.000 0.589 363 G N 0.360 109.225 108.800 0.109 0.000 2.697 363 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.686 363 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.686 363 G C 0.586 175.492 174.900 0.010 0.000 1.179 363 G CA -0.292 44.831 45.100 0.037 0.000 0.765 363 G HN 0.258 nan 8.290 nan 0.000 0.649 364 T N -2.077 112.465 114.554 -0.019 0.000 3.072 364 T HA 0.011 4.361 4.350 -0.000 0.000 0.266 364 T C 1.455 176.112 174.700 -0.071 0.000 1.127 364 T CA 2.234 64.309 62.100 -0.041 0.000 1.107 364 T CB -0.062 68.783 68.868 -0.039 0.000 0.910 364 T HN 0.396 nan 8.240 nan 0.000 0.513 365 D N 0.895 121.249 120.400 -0.075 0.000 2.249 365 D HA 0.077 4.716 4.640 -0.000 0.000 0.205 365 D C 2.231 178.426 176.300 -0.174 0.000 0.962 365 D CA 0.516 54.444 54.000 -0.119 0.000 0.860 365 D CB -0.215 40.528 40.800 -0.096 0.000 0.955 365 D HN 0.337 nan 8.370 nan 0.000 0.505 366 R N 1.020 121.430 120.500 -0.149 0.000 2.115 366 R HA 0.110 4.450 4.340 -0.000 0.000 0.226 366 R C 1.709 177.871 176.300 -0.230 0.000 1.100 366 R CA 1.406 57.363 56.100 -0.238 0.000 0.980 366 R CB -0.487 29.712 30.300 -0.168 0.000 0.875 366 R HN 0.033 nan 8.270 nan 0.000 0.445 367 A N -0.504 122.235 122.820 -0.135 0.000 1.930 367 A HA 0.047 4.367 4.320 -0.000 0.000 0.215 367 A C 1.985 179.507 177.584 -0.103 0.000 1.176 367 A CA 1.249 53.230 52.037 -0.093 0.000 0.632 367 A CB -0.183 18.782 19.000 -0.058 0.000 0.819 367 A HN 0.171 nan 8.150 nan 0.000 0.445 368 V N -0.513 119.318 119.914 -0.138 0.000 3.608 368 V HA 0.049 4.169 4.120 -0.000 0.000 0.269 368 V C 2.047 177.988 176.094 -0.254 0.000 1.245 368 V CA 1.017 63.229 62.300 -0.147 0.000 1.138 368 V CB -0.145 31.595 31.823 -0.139 0.000 0.841 368 V HN 0.641 nan 8.190 nan 0.000 0.451 369 M N -0.899 118.494 119.600 -0.346 0.000 2.514 369 M HA 0.041 4.521 4.480 -0.000 0.000 0.258 369 M C 1.666 177.830 176.300 -0.225 0.000 1.119 369 M CA 1.237 56.171 55.300 -0.610 0.000 1.111 369 M CB 0.312 32.572 32.600 -0.566 0.000 1.390 369 M HN 0.305 nan 8.290 nan 0.000 0.475 370 E N -0.935 119.231 120.200 -0.058 0.000 2.460 370 E HA -0.050 4.300 4.350 -0.000 0.000 0.200 370 E C 1.532 178.171 176.600 0.065 0.000 1.011 370 E CA 0.208 56.667 56.400 0.099 0.000 0.912 370 E CB 0.443 30.192 29.700 0.082 0.000 0.953 370 E HN 0.551 nan 8.360 nan 0.000 0.494 371 Q N 0.083 119.893 119.800 0.017 0.000 2.259 371 Q HA 0.078 4.418 4.340 -0.000 0.000 0.201 371 Q C 2.006 178.048 176.000 0.071 0.000 0.938 371 Q CA 0.817 56.643 55.803 0.038 0.000 0.872 371 Q CB 0.244 28.988 28.738 0.009 0.000 0.971 371 Q HN 0.162 nan 8.270 nan 0.000 0.494 372 A N 0.528 123.387 122.820 0.065 0.000 1.840 372 A HA -0.156 4.164 4.320 -0.000 0.000 0.214 372 A C 1.849 179.581 177.584 0.247 0.000 1.198 372 A CA 0.935 53.063 52.037 0.152 0.000 0.608 372 A CB -0.806 18.285 19.000 0.152 0.000 0.839 372 A HN 0.331 nan 8.150 nan 0.000 0.443 373 L N 0.030 121.462 121.223 0.350 0.000 2.197 373 L HA -0.176 4.163 4.340 -0.000 0.000 0.215 373 L C 2.342 179.313 176.870 0.168 0.000 1.095 373 L CA 1.968 57.001 54.840 0.320 0.000 0.764 373 L CB -0.790 41.462 42.059 0.322 0.000 0.897 373 L HN 0.452 nan 8.230 nan 0.000 0.436 374 G N -2.783 106.097 108.800 0.133 0.000 2.559 374 G HA2 0.045 4.005 3.960 -0.000 0.000 0.209 374 G HA3 0.045 4.005 3.960 -0.000 0.000 0.209 374 G C 1.577 176.528 174.900 0.085 0.000 1.151 374 G CA 0.409 45.559 45.100 0.084 0.000 0.824 374 G HN 0.453 nan 8.290 nan 0.000 0.543 375 A N 0.872 123.753 122.820 0.103 0.000 2.019 375 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 375 A C 2.239 179.875 177.584 0.087 0.000 1.164 375 A CA 1.761 53.858 52.037 0.100 0.000 0.644 375 A CB -0.370 18.695 19.000 0.109 0.000 0.805 375 A HN 0.458 nan 8.150 nan 0.000 0.449 376 Q N -0.480 119.376 119.800 0.094 0.000 2.226 376 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 376 Q C 1.124 177.148 176.000 0.040 0.000 0.975 376 Q CA 1.603 57.446 55.803 0.066 0.000 0.866 376 Q CB -0.242 28.538 28.738 0.070 0.000 0.915 376 Q HN 0.740 nan 8.270 nan 0.000 0.440 377 D N 0.352 120.779 120.400 0.045 0.000 2.183 377 D HA -0.092 4.548 4.640 -0.000 0.000 0.205 377 D C 1.601 177.920 176.300 0.030 0.000 0.962 377 D CA 0.264 54.282 54.000 0.029 0.000 0.849 377 D CB 0.012 40.825 40.800 0.022 0.000 0.978 377 D HN 0.021 nan 8.370 nan 0.000 0.488 378 L N 1.113 122.364 121.223 0.046 0.000 1.989 378 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 378 L C 1.520 178.413 176.870 0.038 0.000 1.071 378 L CA 1.709 56.583 54.840 0.055 0.000 0.749 378 L CB -0.551 41.556 42.059 0.080 0.000 0.890 378 L HN -0.036 nan 8.230 nan 0.000 0.431 379 N N 0.100 118.820 118.700 0.034 0.000 2.104 379 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 379 N C 1.817 177.332 175.510 0.008 0.000 1.024 379 N CA 1.667 54.727 53.050 0.017 0.000 0.853 379 N CB -0.607 37.890 38.487 0.018 0.000 1.008 379 N HN 0.557 nan 8.380 nan 0.000 0.424 380 A N 1.172 123.997 122.820 0.009 0.000 1.902 380 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 380 A C 2.140 179.726 177.584 0.004 0.000 1.181 380 A CA 1.300 53.338 52.037 0.001 0.000 0.623 380 A CB -0.465 18.535 19.000 -0.001 0.000 0.818 380 A HN 0.306 nan 8.150 nan 0.000 0.443 381 E N -0.420 119.787 120.200 0.011 0.000 2.106 381 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 381 E C 1.863 178.470 176.600 0.011 0.000 0.984 381 E CA 0.875 57.283 56.400 0.013 0.000 0.806 381 E CB -0.159 29.554 29.700 0.022 0.000 0.750 381 E HN 0.527 nan 8.360 nan 0.000 0.458 382 I N 0.901 121.477 120.570 0.010 0.000 2.264 382 I HA -0.259 3.910 4.170 -0.000 0.000 0.248 382 I C 2.286 178.400 176.117 -0.005 0.000 1.111 382 I CA 0.999 62.300 61.300 0.002 0.000 1.382 382 I CB -0.784 37.212 38.000 -0.006 0.000 1.060 382 I HN 0.188 nan 8.210 nan 0.000 0.418 383 L N 0.558 121.777 121.223 -0.006 0.000 2.017 383 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 383 L C 2.192 179.059 176.870 -0.006 0.000 1.073 383 L CA 1.712 56.547 54.840 -0.009 0.000 0.745 383 L CB -0.933 41.121 42.059 -0.010 0.000 0.894 383 L HN 0.136 nan 8.230 nan 0.000 0.432 384 E N -1.209 118.990 120.200 -0.002 0.000 2.502 384 E HA 0.066 4.415 4.350 -0.000 0.000 0.194 384 E C -0.093 176.508 176.600 0.001 0.000 1.062 384 E CA 0.070 56.470 56.400 -0.001 0.000 0.867 384 E CB 0.001 29.702 29.700 0.001 0.000 0.888 384 E HN 0.059 nan 8.360 nan 0.000 0.510 385 L N 0.612 121.835 121.223 0.001 0.000 2.334 385 L HA 0.262 4.602 4.340 -0.000 0.000 0.272 385 L C -0.178 176.692 176.870 0.000 0.000 1.020 385 L CA -0.637 54.206 54.840 0.004 0.000 0.812 385 L CB 1.464 43.529 42.059 0.009 0.000 1.264 385 L HN -0.149 nan 8.230 nan 0.000 0.439 386 D N 2.375 122.777 120.400 0.002 0.000 2.383 386 D HA 0.089 4.729 4.640 -0.000 0.000 0.252 386 D C -0.075 176.224 176.300 -0.002 0.000 1.166 386 D CA -0.047 53.954 54.000 0.000 0.000 0.879 386 D CB 1.510 42.312 40.800 0.004 0.000 1.164 386 D HN 0.651 nan 8.370 nan 0.000 0.462 387 A N 3.477 126.292 122.820 -0.007 0.000 2.863 387 A HA 0.124 4.444 4.320 -0.000 0.000 0.246 387 A C 1.184 178.763 177.584 -0.009 0.000 1.772 387 A CA 0.472 52.501 52.037 -0.013 0.000 1.456 387 A CB -0.393 18.596 19.000 -0.018 0.000 0.930 387 A HN 0.452 nan 8.150 nan 0.000 0.630 388 S N -1.236 114.462 115.700 -0.003 0.000 2.597 388 S HA 0.024 4.494 4.470 -0.000 0.000 0.275 388 S C 0.765 175.369 174.600 0.006 0.000 1.040 388 S CA 0.478 58.679 58.200 0.001 0.000 1.187 388 S CB 0.154 63.355 63.200 0.002 0.000 0.988 388 S HN 0.482 nan 8.310 nan 0.000 0.490 389 D N 2.113 122.519 120.400 0.010 0.000 2.323 389 D HA 0.058 4.698 4.640 -0.000 0.000 0.209 389 D C 1.789 178.104 176.300 0.024 0.000 0.973 389 D CA 1.509 55.521 54.000 0.020 0.000 0.874 389 D CB -0.264 40.550 40.800 0.023 0.000 0.930 389 D HN 0.661 nan 8.370 nan 0.000 0.521 390 T N -1.600 112.960 114.554 0.011 0.000 3.163 390 T HA -0.019 4.331 4.350 -0.000 0.000 0.260 390 T C 0.823 175.519 174.700 -0.008 0.000 1.156 390 T CA 0.031 62.134 62.100 0.006 0.000 1.072 390 T CB -0.119 68.743 68.868 -0.010 0.000 0.937 390 T HN 0.074 nan 8.240 nan 0.000 0.528 391 Q N -0.152 119.645 119.800 -0.005 0.000 2.260 391 Q HA 0.454 4.794 4.340 -0.000 0.000 0.242 391 Q C 0.529 176.506 176.000 -0.038 0.000 0.932 391 Q CA -0.906 54.885 55.803 -0.021 0.000 0.891 391 Q CB 1.186 29.937 28.738 0.022 0.000 1.222 391 Q HN 0.020 nan 8.270 nan 0.000 0.453 392 L N 0.904 122.036 121.223 -0.151 0.000 2.068 392 L HA -0.089 4.251 4.340 -0.000 0.000 0.204 392 L C 0.817 177.609 176.870 -0.131 0.000 1.076 392 L CA 1.521 56.184 54.840 -0.294 0.000 0.753 392 L CB -0.366 41.211 42.059 -0.802 0.000 0.910 392 L HN 0.633 nan 8.230 nan 0.000 0.439 393 Y N 0.942 121.111 120.300 -0.218 0.000 2.667 393 Y HA 0.260 4.810 4.550 -0.000 0.000 0.340 393 Y C 0.434 176.433 175.900 0.165 0.000 1.303 393 Y CA -1.372 56.796 58.100 0.113 0.000 1.769 393 Y CB -0.661 37.943 38.460 0.239 0.000 1.804 393 Y HN 0.020 nan 8.280 nan 0.000 0.451 394 I N 3.088 123.674 120.570 0.027 0.000 2.754 394 I HA -0.003 4.167 4.170 -0.000 0.000 0.285 394 I C -0.096 175.939 176.117 -0.136 0.000 1.166 394 I CA 0.146 61.429 61.300 -0.028 0.000 1.417 394 I CB 0.605 38.636 38.000 0.051 0.000 1.382 394 I HN 0.445 nan 8.210 nan 0.000 0.588 395 D N 5.819 126.163 120.400 -0.094 0.000 2.249 395 D HA 0.209 4.849 4.640 -0.000 0.000 0.246 395 D C 0.737 177.039 176.300 0.003 0.000 1.114 395 D CA -0.167 53.791 54.000 -0.070 0.000 0.854 395 D CB 1.246 42.014 40.800 -0.054 0.000 1.132 395 D HN 0.467 nan 8.370 nan 0.000 0.461 396 L N 3.118 124.369 121.223 0.046 0.000 2.313 396 L HA 0.038 4.378 4.340 -0.000 0.000 0.214 396 L C 1.264 178.187 176.870 0.088 0.000 1.119 396 L CA 0.294 55.192 54.840 0.098 0.000 0.809 396 L CB -0.297 41.883 42.059 0.201 0.000 0.933 396 L HN 0.633 nan 8.230 nan 0.000 0.449 397 K N -0.613 119.822 120.400 0.059 0.000 3.274 397 K HA -0.235 4.085 4.320 -0.000 0.000 0.300 397 K C 0.905 177.529 176.600 0.041 0.000 1.230 397 K CA 0.279 56.589 56.287 0.039 0.000 0.884 397 K CB -1.883 30.635 32.500 0.030 0.000 1.242 397 K HN 0.570 nan 8.250 nan 0.000 0.467 398 G N 0.245 109.080 108.800 0.057 0.000 2.159 398 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.256 398 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.256 398 G C 0.130 175.070 174.900 0.066 0.000 0.977 398 G CA 0.583 45.686 45.100 0.005 0.000 0.652 398 G HN 0.348 nan 8.290 nan 0.000 0.531 399 R N 0.297 120.880 120.500 0.139 0.000 2.774 399 R HA 0.311 4.651 4.340 -0.000 0.000 0.269 399 R C 0.434 176.895 176.300 0.267 0.000 1.068 399 R CA -0.208 55.983 56.100 0.152 0.000 1.180 399 R CB 0.241 30.599 30.300 0.095 0.000 1.077 399 R HN 0.252 nan 8.270 nan 0.000 0.513 400 D N 1.121 121.612 120.400 0.151 0.000 2.525 400 D HA -0.036 4.604 4.640 -0.000 0.000 0.235 400 D C -1.785 174.473 176.300 -0.071 0.000 1.137 400 D CA -1.251 52.788 54.000 0.065 0.000 0.868 400 D CB 0.914 41.736 40.800 0.037 0.000 1.180 400 D HN 0.169 nan 8.370 nan 0.000 0.465 401 P HA 0.131 nan 4.420 nan 0.000 0.253 401 P C -0.102 176.995 177.300 -0.337 0.000 1.260 401 P CA 0.357 63.185 63.100 -0.453 0.000 0.800 401 P CB 0.509 31.641 31.700 -0.946 0.000 1.162 402 D N -1.768 118.518 120.400 -0.189 0.000 2.448 402 D HA 0.000 4.640 4.640 -0.000 0.000 0.256 402 D C 0.751 177.026 176.300 -0.043 0.000 1.108 402 D CA 0.201 54.145 54.000 -0.094 0.000 0.848 402 D CB 0.057 40.849 40.800 -0.013 0.000 1.281 402 D HN -0.033 nan 8.370 nan 0.000 0.509 403 D N 1.495 121.877 120.400 -0.029 0.000 2.384 403 D HA -0.044 4.596 4.640 -0.000 0.000 0.222 403 D C 1.968 178.259 176.300 -0.014 0.000 0.976 403 D CA 0.411 54.402 54.000 -0.015 0.000 0.915 403 D CB 0.068 40.870 40.800 0.003 0.000 0.896 403 D HN 0.134 nan 8.370 nan 0.000 0.523 404 A N 0.492 123.289 122.820 -0.037 0.000 1.903 404 A HA -0.049 4.271 4.320 -0.000 0.000 0.219 404 A C 1.370 178.959 177.584 0.008 0.000 1.191 404 A CA 1.729 53.754 52.037 -0.020 0.000 0.638 404 A CB -0.988 17.972 19.000 -0.066 0.000 0.823 404 A HN 0.243 nan 8.150 nan 0.000 0.451 405 F N 0.454 120.407 119.950 0.005 0.000 2.415 405 F HA 0.626 5.153 4.527 -0.000 0.000 0.348 405 F C 0.625 176.458 175.800 0.055 0.000 1.119 405 F CA -0.618 57.405 58.000 0.039 0.000 1.069 405 F CB 0.580 39.604 39.000 0.041 0.000 1.124 405 F HN 0.459 nan 8.300 nan 0.000 0.472 406 S N 1.402 117.162 115.700 0.100 0.000 2.721 406 S HA 0.713 5.183 4.470 -0.000 0.000 0.296 406 S C 1.366 176.071 174.600 0.175 0.000 1.093 406 S CA 0.137 58.399 58.200 0.103 0.000 0.959 406 S CB 1.115 64.368 63.200 0.089 0.000 1.301 406 S HN 1.365 nan 8.310 nan 0.000 0.550 407 G N -0.253 108.626 108.800 0.131 0.000 2.939 407 G HA2 0.188 4.148 3.960 -0.000 0.000 0.210 407 G HA3 0.188 4.148 3.960 -0.000 0.000 0.210 407 G C 1.002 176.066 174.900 0.274 0.000 1.160 407 G CA 0.161 45.358 45.100 0.162 0.000 0.770 407 G HN 0.394 nan 8.290 nan 0.000 0.543 408 V N 2.708 122.747 119.914 0.208 0.000 2.218 408 V HA -0.195 3.925 4.120 -0.000 0.000 0.251 408 V C 0.819 177.055 176.094 0.235 0.000 1.057 408 V CA 2.655 65.066 62.300 0.184 0.000 1.022 408 V CB -1.281 30.616 31.823 0.122 0.000 0.645 408 V HN 0.325 nan 8.190 nan 0.000 0.451 409 P HA -0.209 nan 4.420 nan 0.000 0.216 409 P C 1.285 178.727 177.300 0.238 0.000 1.150 409 P CA 2.031 65.277 63.100 0.243 0.000 0.843 409 P CB -0.146 31.677 31.700 0.205 0.000 0.787 410 Y N 0.219 120.651 120.300 0.219 0.000 2.084 410 Y HA -0.137 4.413 4.550 -0.000 0.000 0.279 410 Y C 2.781 178.783 175.900 0.171 0.000 1.119 410 Y CA 1.190 59.409 58.100 0.199 0.000 1.101 410 Y CB -1.535 37.005 38.460 0.134 0.000 0.989 410 Y HN -0.285 nan 8.280 nan 0.000 0.484 411 V N 0.006 120.126 119.914 0.344 0.000 2.488 411 V HA -0.191 3.928 4.120 -0.000 0.000 0.246 411 V C 2.181 178.406 176.094 0.219 0.000 1.046 411 V CA 1.827 64.265 62.300 0.229 0.000 1.053 411 V CB -0.515 31.410 31.823 0.170 0.000 0.679 411 V HN 0.295 nan 8.190 nan 0.000 0.458 412 K N 0.589 121.125 120.400 0.226 0.000 2.155 412 K HA -0.057 4.263 4.320 -0.000 0.000 0.203 412 K C 2.065 178.804 176.600 0.233 0.000 1.052 412 K CA 1.222 57.655 56.287 0.244 0.000 0.948 412 K CB -0.341 32.280 32.500 0.202 0.000 0.728 412 K HN 0.488 nan 8.250 nan 0.000 0.448 413 G N 0.694 109.641 108.800 0.245 0.000 2.484 413 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 413 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 413 G C 1.272 176.295 174.900 0.204 0.000 1.130 413 G CA 0.251 45.535 45.100 0.306 0.000 0.784 413 G HN 0.391 nan 8.290 nan 0.000 0.543 414 Q N -0.188 119.724 119.800 0.186 0.000 2.123 414 Q HA 0.103 4.443 4.340 -0.000 0.000 0.196 414 Q C 2.392 178.452 176.000 0.100 0.000 0.958 414 Q CA 0.437 56.340 55.803 0.166 0.000 0.841 414 Q CB -0.161 28.710 28.738 0.222 0.000 0.915 414 Q HN 0.471 nan 8.270 nan 0.000 0.455 415 L N 0.352 121.638 121.223 0.106 0.000 2.201 415 L HA -0.107 4.232 4.340 -0.000 0.000 0.212 415 L C 2.386 179.158 176.870 -0.163 0.000 1.105 415 L CA 0.519 55.416 54.840 0.095 0.000 0.775 415 L CB -0.527 41.680 42.059 0.246 0.000 0.913 415 L HN 0.272 nan 8.230 nan 0.000 0.440 416 F N 1.337 120.896 119.950 -0.651 0.000 2.102 416 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 416 F C 2.023 177.400 175.800 -0.705 0.000 1.105 416 F CA 1.481 58.720 58.000 -1.268 0.000 1.239 416 F CB -0.422 38.008 39.000 -0.950 0.000 0.991 416 F HN -0.099 nan 8.300 nan 0.000 0.474 417 L N -0.570 120.202 121.223 -0.752 0.000 2.240 417 L HA -0.148 4.192 4.340 -0.000 0.000 0.211 417 L C 2.489 178.889 176.870 -0.783 0.000 1.106 417 L CA 0.814 55.089 54.840 -0.943 0.000 0.793 417 L CB -0.648 40.801 42.059 -1.017 0.000 0.927 417 L HN 0.155 nan 8.230 nan 0.000 0.446 418 M N -1.449 117.967 119.600 -0.307 0.000 2.296 418 M HA -0.203 4.277 4.480 -0.000 0.000 0.265 418 M C 2.276 178.481 176.300 -0.158 0.000 1.064 418 M CA 1.644 56.898 55.300 -0.077 0.000 1.109 418 M CB -0.312 32.345 32.600 0.095 0.000 1.396 418 M HN 0.208 nan 8.290 nan 0.000 0.430 419 Y N 1.327 121.444 120.300 -0.305 0.000 2.184 419 Y HA -0.115 4.435 4.550 -0.000 0.000 0.290 419 Y C 1.816 177.552 175.900 -0.272 0.000 1.129 419 Y CA 1.509 59.506 58.100 -0.173 0.000 1.144 419 Y CB -0.192 38.222 38.460 -0.077 0.000 0.995 419 Y HN 0.072 nan 8.280 nan 0.000 0.513 420 L N -0.055 120.858 121.223 -0.516 0.000 2.291 420 L HA -0.094 4.246 4.340 -0.000 0.000 0.214 420 L C 2.389 178.841 176.870 -0.697 0.000 1.120 420 L CA 1.325 55.856 54.840 -0.514 0.000 0.799 420 L CB -0.555 41.099 42.059 -0.675 0.000 0.925 420 L HN 0.291 nan 8.230 nan 0.000 0.446 421 E N 1.158 120.758 120.200 -1.000 0.000 2.001 421 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 421 E C 1.919 178.341 176.600 -0.296 0.000 0.994 421 E CA 1.443 57.438 56.400 -0.674 0.000 0.815 421 E CB 0.031 29.540 29.700 -0.319 0.000 0.770 421 E HN 0.487 nan 8.360 nan 0.000 0.453 422 E N 0.382 120.426 120.200 -0.260 0.000 2.147 422 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 422 E C 2.152 178.583 176.600 -0.282 0.000 1.005 422 E CA 0.981 57.256 56.400 -0.208 0.000 0.810 422 E CB -0.041 29.557 29.700 -0.169 0.000 0.736 422 E HN 0.115 nan 8.360 nan 0.000 0.460 423 K N -0.014 120.137 120.400 -0.415 0.000 2.103 423 K HA -0.046 4.274 4.320 -0.000 0.000 0.204 423 K C 1.776 178.008 176.600 -0.615 0.000 1.052 423 K CA 1.075 57.025 56.287 -0.563 0.000 0.945 423 K CB -0.063 31.995 32.500 -0.738 0.000 0.722 423 K HN 0.194 nan 8.250 nan 0.000 0.443 424 F N -0.327 119.463 119.950 -0.267 0.000 2.694 424 F HA 0.243 4.769 4.527 -0.000 0.000 0.292 424 F C 1.082 176.783 175.800 -0.165 0.000 1.121 424 F CA 0.341 58.214 58.000 -0.211 0.000 1.352 424 F CB 0.606 39.494 39.000 -0.187 0.000 1.107 424 F HN 0.103 nan 8.300 nan 0.000 0.597 425 G N 0.663 109.481 108.800 0.030 0.000 2.662 425 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.686 425 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.686 425 G C 0.338 175.319 174.900 0.135 0.000 1.271 425 G CA -0.704 44.416 45.100 0.034 0.000 0.816 425 G HN 0.024 nan 8.290 nan 0.000 0.608 426 R N 0.520 121.104 120.500 0.139 0.000 2.073 426 R HA -0.019 4.321 4.340 -0.000 0.000 0.229 426 R C 2.318 178.724 176.300 0.175 0.000 1.120 426 R CA 1.730 57.963 56.100 0.221 0.000 0.967 426 R CB -0.557 29.836 30.300 0.155 0.000 0.862 426 R HN 0.723 nan 8.270 nan 0.000 0.436 427 E N 1.307 121.565 120.200 0.097 0.000 2.035 427 E HA -0.249 4.100 4.350 -0.000 0.000 0.204 427 E C 2.032 178.678 176.600 0.076 0.000 1.025 427 E CA 1.796 58.236 56.400 0.067 0.000 0.835 427 E CB -0.008 29.709 29.700 0.028 0.000 0.764 427 E HN -0.008 nan 8.360 nan 0.000 0.457 428 R N -0.997 119.528 120.500 0.042 0.000 2.073 428 R HA 0.053 4.393 4.340 -0.000 0.000 0.229 428 R C 2.159 178.538 176.300 0.133 0.000 1.120 428 R CA 1.236 57.332 56.100 -0.007 0.000 0.967 428 R CB -0.976 29.154 30.300 -0.283 0.000 0.862 428 R HN 0.305 nan 8.270 nan 0.000 0.436 429 F N 1.595 121.556 119.950 0.018 0.000 2.075 429 F HA -0.191 4.336 4.527 -0.000 0.000 0.297 429 F C 1.391 177.317 175.800 0.209 0.000 1.113 429 F CA 1.838 59.870 58.000 0.053 0.000 1.218 429 F CB -0.414 38.606 39.000 0.034 0.000 0.984 429 F HN 0.018 nan 8.300 nan 0.000 0.472 430 D N 0.204 120.679 120.400 0.126 0.000 2.178 430 D HA -0.096 4.544 4.640 -0.000 0.000 0.201 430 D C 2.316 178.663 176.300 0.079 0.000 0.980 430 D CA 1.282 55.339 54.000 0.095 0.000 0.842 430 D CB -0.585 40.327 40.800 0.186 0.000 0.948 430 D HN 0.368 nan 8.370 nan 0.000 0.472 431 A N 0.278 123.159 122.820 0.100 0.000 1.873 431 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 431 A C 2.072 179.708 177.584 0.086 0.000 1.186 431 A CA 1.005 53.102 52.037 0.101 0.000 0.616 431 A CB -0.959 18.114 19.000 0.122 0.000 0.823 431 A HN 0.299 nan 8.150 nan 0.000 0.442 432 F N 1.080 121.004 119.950 -0.042 0.000 2.051 432 F HA -0.167 4.360 4.527 -0.000 0.000 0.296 432 F C 2.118 177.868 175.800 -0.083 0.000 1.122 432 F CA 2.207 60.166 58.000 -0.068 0.000 1.201 432 F CB -0.666 38.248 39.000 -0.142 0.000 0.978 432 F HN 0.009 nan 8.300 nan 0.000 0.472 433 V N 1.043 120.669 119.914 -0.480 0.000 2.324 433 V HA -0.310 3.810 4.120 -0.000 0.000 0.250 433 V C 2.442 178.290 176.094 -0.411 0.000 1.060 433 V CA 1.891 63.820 62.300 -0.617 0.000 1.042 433 V CB -1.077 30.405 31.823 -0.568 0.000 0.650 433 V HN 0.532 nan 8.190 nan 0.000 0.450 434 L N 0.627 121.785 121.223 -0.108 0.000 2.012 434 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 434 L C 2.399 179.282 176.870 0.021 0.000 1.073 434 L CA 2.088 56.970 54.840 0.070 0.000 0.748 434 L CB -0.819 41.317 42.059 0.129 0.000 0.891 434 L HN 0.407 nan 8.230 nan 0.000 0.431 435 E N -1.685 118.499 120.200 -0.027 0.000 2.110 435 E HA -0.286 4.064 4.350 -0.000 0.000 0.193 435 E C 2.041 178.654 176.600 0.021 0.000 0.988 435 E CA 1.566 57.980 56.400 0.023 0.000 0.804 435 E CB -0.562 29.179 29.700 0.068 0.000 0.745 435 E HN 0.623 nan 8.360 nan 0.000 0.458 436 Y N 0.690 120.814 120.300 -0.293 0.000 2.081 436 Y HA -0.285 4.265 4.550 -0.000 0.000 0.280 436 Y C 1.715 177.482 175.900 -0.222 0.000 1.163 436 Y CA 1.661 59.524 58.100 -0.396 0.000 1.135 436 Y CB -0.586 37.369 38.460 -0.841 0.000 0.970 436 Y HN 0.029 nan 8.280 nan 0.000 0.498 437 F N 0.044 119.775 119.950 -0.364 0.000 2.186 437 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 437 F C 2.227 177.888 175.800 -0.231 0.000 1.090 437 F CA 0.674 58.453 58.000 -0.369 0.000 1.307 437 F CB -0.175 38.792 39.000 -0.056 0.000 1.019 437 F HN 0.075 nan 8.300 nan 0.000 0.489 438 D N 0.100 120.541 120.400 0.068 0.000 2.097 438 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 438 D C 2.331 178.582 176.300 -0.080 0.000 0.989 438 D CA 1.857 55.858 54.000 0.002 0.000 0.827 438 D CB -0.491 40.329 40.800 0.032 0.000 0.966 438 D HN 0.206 nan 8.370 nan 0.000 0.456 439 S N -0.631 115.005 115.700 -0.106 0.000 2.481 439 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 439 S C 1.065 175.367 174.600 -0.497 0.000 0.996 439 S CA 0.716 58.771 58.200 -0.242 0.000 0.942 439 S CB -0.397 62.679 63.200 -0.207 0.000 0.768 439 S HN 0.316 nan 8.310 nan 0.000 0.520 440 H N 1.278 120.150 119.070 -0.331 0.000 2.486 440 H HA 0.631 5.187 4.556 -0.000 0.000 0.284 440 H C 0.515 175.667 175.328 -0.294 0.000 1.103 440 H CA -0.214 55.633 56.048 -0.335 0.000 1.089 440 H CB -0.120 29.342 29.762 -0.501 0.000 1.603 440 H HN 0.494 nan 8.280 nan 0.000 0.557 441 A N 0.526 123.218 122.820 -0.214 0.000 2.553 441 A HA 0.138 4.458 4.320 -0.000 0.000 0.258 441 A C -0.227 177.239 177.584 -0.196 0.000 1.069 441 A CA 0.150 51.987 52.037 -0.334 0.000 0.767 441 A CB -1.181 17.674 19.000 -0.242 0.000 0.997 441 A HN 0.552 nan 8.150 nan 0.000 0.512 442 F N -0.775 119.074 119.950 -0.168 0.000 3.058 442 F HA -0.211 4.316 4.527 -0.000 0.000 0.295 442 F C 0.665 176.405 175.800 -0.099 0.000 0.875 442 F CA 1.579 59.496 58.000 -0.137 0.000 1.150 442 F CB -2.171 36.727 39.000 -0.171 0.000 1.175 442 F HN 0.766 nan 8.300 nan 0.000 0.599 443 Q N -1.013 118.779 119.800 -0.013 0.000 2.495 443 Q HA 0.771 5.111 4.340 -0.000 0.000 0.283 443 Q C -0.278 175.699 176.000 -0.037 0.000 1.097 443 Q CA -0.958 54.833 55.803 -0.020 0.000 0.836 443 Q CB 2.615 31.328 28.738 -0.041 0.000 1.426 443 Q HN 0.149 nan 8.270 nan 0.000 0.459 444 S N 0.163 115.843 115.700 -0.034 0.000 2.568 444 S HA 0.773 5.243 4.470 -0.000 0.000 0.302 444 S C -1.711 172.870 174.600 -0.031 0.000 1.082 444 S CA -0.490 57.675 58.200 -0.058 0.000 1.009 444 S CB 0.900 64.053 63.200 -0.078 0.000 1.069 444 S HN 0.358 nan 8.310 nan 0.000 0.500 445 L N 2.336 123.523 121.223 -0.060 0.000 2.505 445 L HA 0.783 5.123 4.340 -0.000 0.000 0.259 445 L C -0.045 176.803 176.870 -0.037 0.000 0.952 445 L CA -0.008 54.818 54.840 -0.024 0.000 0.840 445 L CB 1.738 43.764 42.059 -0.054 0.000 1.358 445 L HN 0.787 nan 8.230 nan 0.000 0.409 446 G N 0.863 109.680 108.800 0.028 0.000 2.441 446 G HA2 0.465 4.425 3.960 -0.000 0.000 0.334 446 G HA3 0.465 4.425 3.960 -0.000 0.000 0.334 446 G C 0.379 175.342 174.900 0.106 0.000 1.161 446 G CA 0.196 45.330 45.100 0.057 0.000 0.935 446 G HN 0.663 nan 8.290 nan 0.000 0.488 447 T N 0.748 115.375 114.554 0.121 0.000 2.635 447 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 447 T C 1.929 176.774 174.700 0.240 0.000 1.040 447 T CA 1.976 64.213 62.100 0.229 0.000 1.156 447 T CB -0.245 68.643 68.868 0.035 0.000 0.863 447 T HN 0.509 nan 8.240 nan 0.000 0.430 448 D N 0.975 121.436 120.400 0.101 0.000 2.158 448 D HA -0.092 4.547 4.640 -0.000 0.000 0.197 448 D C 2.141 178.546 176.300 0.175 0.000 0.995 448 D CA 0.930 55.015 54.000 0.141 0.000 0.846 448 D CB -0.366 40.484 40.800 0.084 0.000 0.941 448 D HN 0.365 nan 8.370 nan 0.000 0.456 449 N N -0.257 118.550 118.700 0.178 0.000 2.290 449 N HA -0.100 4.640 4.740 -0.000 0.000 0.179 449 N C 1.749 177.410 175.510 0.251 0.000 1.016 449 N CA 0.093 53.255 53.050 0.188 0.000 0.871 449 N CB -0.415 38.170 38.487 0.163 0.000 0.987 449 N HN 0.169 nan 8.380 nan 0.000 0.431 450 F N 2.672 122.704 119.950 0.137 0.000 2.087 450 F HA -0.215 4.312 4.527 -0.000 0.000 0.299 450 F C 2.151 178.104 175.800 0.255 0.000 1.100 450 F CA 1.076 59.170 58.000 0.156 0.000 1.226 450 F CB -0.553 38.508 39.000 0.101 0.000 0.983 450 F HN -0.245 nan 8.300 nan 0.000 0.479 451 V N 0.563 120.540 119.914 0.107 0.000 2.295 451 V HA -0.324 3.796 4.120 -0.000 0.000 0.246 451 V C 2.492 178.581 176.094 -0.008 0.000 1.049 451 V CA 2.300 64.608 62.300 0.013 0.000 1.024 451 V CB -0.765 31.165 31.823 0.179 0.000 0.648 451 V HN 0.300 nan 8.190 nan 0.000 0.447 452 K N -0.053 120.393 120.400 0.077 0.000 2.059 452 K HA -0.277 4.043 4.320 -0.000 0.000 0.212 452 K C 2.077 178.718 176.600 0.068 0.000 1.050 452 K CA 2.218 58.553 56.287 0.081 0.000 0.927 452 K CB -0.839 31.732 32.500 0.118 0.000 0.714 452 K HN 0.530 nan 8.250 nan 0.000 0.447 453 Y N 0.186 120.479 120.300 -0.011 0.000 2.314 453 Y HA -0.022 4.528 4.550 -0.000 0.000 0.293 453 Y C 1.902 177.796 175.900 -0.011 0.000 1.129 453 Y CA 1.422 59.538 58.100 0.026 0.000 1.201 453 Y CB 0.012 38.545 38.460 0.122 0.000 0.999 453 Y HN 0.126 nan 8.280 nan 0.000 0.541 454 L N -0.198 120.911 121.223 -0.190 0.000 2.217 454 L HA -0.155 4.185 4.340 -0.000 0.000 0.211 454 L C 1.876 178.558 176.870 -0.314 0.000 1.107 454 L CA 1.325 55.957 54.840 -0.347 0.000 0.783 454 L CB -0.209 41.492 42.059 -0.596 0.000 0.919 454 L HN 0.226 nan 8.230 nan 0.000 0.442 455 K N -0.376 119.910 120.400 -0.190 0.000 2.078 455 K HA 0.043 4.363 4.320 -0.000 0.000 0.203 455 K C 2.054 178.560 176.600 -0.158 0.000 1.043 455 K CA 0.961 57.169 56.287 -0.133 0.000 0.960 455 K CB -0.171 32.299 32.500 -0.051 0.000 0.761 455 K HN 0.257 nan 8.250 nan 0.000 0.448 456 A N 1.868 124.600 122.820 -0.146 0.000 2.070 456 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 456 A C 1.377 178.822 177.584 -0.233 0.000 1.159 456 A CA 1.413 53.358 52.037 -0.153 0.000 0.656 456 A CB -0.230 18.709 19.000 -0.101 0.000 0.800 456 A HN 0.294 nan 8.150 nan 0.000 0.453 457 N N -1.823 116.689 118.700 -0.313 0.000 2.159 457 N HA 0.298 5.037 4.740 -0.000 0.000 0.217 457 N C 0.704 176.072 175.510 -0.238 0.000 1.223 457 N CA 0.116 53.004 53.050 -0.269 0.000 0.896 457 N CB 1.020 39.258 38.487 -0.416 0.000 1.064 457 N HN 0.439 nan 8.380 nan 0.000 0.518 458 L N -0.663 120.309 121.223 -0.418 0.000 2.923 458 L HA 0.116 4.456 4.340 -0.000 0.000 0.161 458 L C 1.361 177.982 176.870 -0.416 0.000 1.202 458 L CA 0.374 54.851 54.840 -0.605 0.000 0.920 458 L CB -0.174 41.175 42.059 -1.184 0.000 1.773 458 L HN -0.182 nan 8.230 nan 0.000 0.532 459 T N 0.023 114.387 114.554 -0.317 0.000 2.929 459 T HA -0.128 4.221 4.350 -0.000 0.000 0.271 459 T C 0.601 175.322 174.700 0.034 0.000 1.085 459 T CA 1.756 63.859 62.100 0.005 0.000 1.125 459 T CB -0.083 68.791 68.868 0.010 0.000 0.874 459 T HN 0.269 nan 8.240 nan 0.000 0.494 460 D N -0.430 119.925 120.400 -0.075 0.000 2.454 460 D HA 0.151 4.791 4.640 -0.000 0.000 0.214 460 D C 1.852 178.073 176.300 -0.132 0.000 1.088 460 D CA 0.245 54.207 54.000 -0.064 0.000 0.855 460 D CB 0.144 40.902 40.800 -0.069 0.000 1.025 460 D HN 0.257 nan 8.370 nan 0.000 0.502 461 K N -0.079 120.165 120.400 -0.260 0.000 2.062 461 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 461 K C -0.290 175.958 176.600 -0.586 0.000 1.051 461 K CA 0.954 56.943 56.287 -0.496 0.000 0.941 461 K CB 0.097 32.145 32.500 -0.753 0.000 0.719 461 K HN 0.043 nan 8.250 nan 0.000 0.440 462 Y N 2.365 122.692 120.300 0.044 0.000 2.919 462 Y HA 0.368 4.918 4.550 -0.000 0.000 0.341 462 Y C -2.403 173.618 175.900 0.202 0.000 1.045 462 Y CA -3.317 54.875 58.100 0.152 0.000 1.218 462 Y CB 0.707 39.345 38.460 0.298 0.000 1.137 462 Y HN 0.109 nan 8.280 nan 0.000 0.577 463 P HA 0.107 nan 4.420 nan 0.000 0.274 463 P C -0.367 176.984 177.300 0.085 0.000 1.231 463 P CA -0.023 63.140 63.100 0.106 0.000 0.790 463 P CB 1.082 32.810 31.700 0.047 0.000 0.951 464 N N -0.586 118.147 118.700 0.055 0.000 2.850 464 N HA -0.169 4.571 4.740 -0.000 0.000 0.249 464 N C 0.357 175.843 175.510 -0.040 0.000 1.060 464 N CA 0.967 54.023 53.050 0.011 0.000 0.825 464 N CB -2.012 36.478 38.487 0.004 0.000 1.132 464 N HN 0.323 nan 8.380 nan 0.000 0.564 465 I N -1.215 119.315 120.570 -0.066 0.000 2.899 465 I HA 0.158 4.328 4.170 -0.000 0.000 0.257 465 I C 0.601 176.597 176.117 -0.202 0.000 1.115 465 I CA 0.735 61.877 61.300 -0.263 0.000 1.451 465 I CB 0.229 37.805 38.000 -0.707 0.000 1.251 465 I HN -0.059 nan 8.210 nan 0.000 0.456 466 V N 1.353 121.245 119.914 -0.037 0.000 2.555 466 V HA 0.516 4.636 4.120 -0.000 0.000 0.302 466 V C -0.276 175.900 176.094 0.137 0.000 1.038 466 V CA -0.831 61.532 62.300 0.105 0.000 0.887 466 V CB 1.611 33.598 31.823 0.274 0.000 0.991 466 V HN 0.329 nan 8.190 nan 0.000 0.434 467 S N 1.314 117.086 115.700 0.120 0.000 2.565 467 S HA 0.360 4.830 4.470 -0.000 0.000 0.290 467 S C 0.302 174.979 174.600 0.129 0.000 1.150 467 S CA -0.747 57.512 58.200 0.098 0.000 1.058 467 S CB 1.474 64.710 63.200 0.059 0.000 1.032 467 S HN 0.653 nan 8.310 nan 0.000 0.510 468 D N 1.571 122.036 120.400 0.109 0.000 2.411 468 D HA -0.067 4.573 4.640 -0.000 0.000 0.226 468 D C 0.947 177.326 176.300 0.132 0.000 0.988 468 D CA 0.975 55.050 54.000 0.124 0.000 0.938 468 D CB -0.520 40.340 40.800 0.100 0.000 0.883 468 D HN 0.654 nan 8.370 nan 0.000 0.525 469 N N 0.009 118.777 118.700 0.114 0.000 2.368 469 N HA -0.020 4.720 4.740 -0.000 0.000 0.176 469 N C 1.378 176.963 175.510 0.124 0.000 1.021 469 N CA 0.426 53.537 53.050 0.101 0.000 0.888 469 N CB 0.293 38.821 38.487 0.069 0.000 0.995 469 N HN 0.183 nan 8.380 nan 0.000 0.437 470 E N 0.163 120.461 120.200 0.162 0.000 2.158 470 E HA 0.003 4.353 4.350 -0.000 0.000 0.191 470 E C 1.450 178.259 176.600 0.348 0.000 0.982 470 E CA 0.553 57.099 56.400 0.243 0.000 0.823 470 E CB 0.170 30.033 29.700 0.271 0.000 0.766 470 E HN 0.379 nan 8.360 nan 0.000 0.468 471 I N 1.508 122.253 120.570 0.291 0.000 2.193 471 I HA -0.230 3.940 4.170 -0.000 0.000 0.240 471 I C 2.061 178.231 176.117 0.089 0.000 1.084 471 I CA 0.751 62.201 61.300 0.250 0.000 1.365 471 I CB -0.251 37.891 38.000 0.237 0.000 1.064 471 I HN 0.088 nan 8.210 nan 0.000 0.410 472 N N 0.594 119.390 118.700 0.159 0.000 2.166 472 N HA -0.227 4.513 4.740 -0.000 0.000 0.186 472 N C 1.805 177.413 175.510 0.163 0.000 1.019 472 N CA 1.332 54.550 53.050 0.280 0.000 0.856 472 N CB -0.191 38.498 38.487 0.337 0.000 0.993 472 N HN 0.365 nan 8.380 nan 0.000 0.426 473 E N 0.350 120.579 120.200 0.049 0.000 2.047 473 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 473 E C 1.870 178.329 176.600 -0.236 0.000 0.987 473 E CA 1.216 57.569 56.400 -0.079 0.000 0.799 473 E CB -0.410 29.226 29.700 -0.107 0.000 0.752 473 E HN 0.337 nan 8.360 nan 0.000 0.449 474 W N 0.982 122.074 121.300 -0.346 0.000 2.335 474 W HA -0.136 4.524 4.660 -0.000 0.000 0.311 474 W C 2.168 178.221 176.519 -0.777 0.000 1.213 474 W CA 1.713 58.687 57.345 -0.620 0.000 1.274 474 W CB -0.139 28.731 29.460 -0.983 0.000 1.148 474 W HN 0.209 nan 8.180 nan 0.000 0.498 475 I N -4.172 116.009 120.570 -0.649 0.000 3.226 475 I HA 0.014 4.183 4.170 -0.000 0.000 0.277 475 I C 1.233 176.900 176.117 -0.751 0.000 1.243 475 I CA 0.883 61.611 61.300 -0.954 0.000 1.459 475 I CB -0.671 36.541 38.000 -1.312 0.000 1.093 475 I HN -0.122 nan 8.210 nan 0.000 0.453 476 F N 1.404 121.285 119.950 -0.115 0.000 2.712 476 F HA 0.370 4.897 4.527 -0.000 0.000 0.297 476 F C 0.860 176.630 175.800 -0.050 0.000 1.114 476 F CA -0.276 57.712 58.000 -0.020 0.000 1.305 476 F CB -0.068 38.946 39.000 0.023 0.000 1.086 476 F HN -0.154 nan 8.300 nan 0.000 0.599 477 K N 0.623 121.052 120.400 0.048 0.000 2.098 477 K HA 0.651 4.971 4.320 -0.000 0.000 0.258 477 K C 0.130 176.686 176.600 -0.074 0.000 0.973 477 K CA -0.344 55.930 56.287 -0.022 0.000 0.898 477 K CB 1.042 33.496 32.500 -0.077 0.000 1.057 477 K HN 0.009 nan 8.250 nan 0.000 0.447 478 A N 1.148 123.931 122.820 -0.062 0.000 2.327 478 A HA 0.627 4.947 4.320 -0.000 0.000 0.255 478 A C 0.581 178.099 177.584 -0.109 0.000 1.099 478 A CA 0.363 52.361 52.037 -0.066 0.000 0.801 478 A CB -0.667 18.306 19.000 -0.045 0.000 1.062 478 A HN 0.780 nan 8.150 nan 0.000 0.496 479 G N -1.484 107.261 108.800 -0.093 0.000 2.726 479 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.261 479 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.261 479 G C -0.202 174.586 174.900 -0.187 0.000 1.352 479 G CA 0.237 45.268 45.100 -0.114 0.000 0.906 479 G HN 1.101 nan 8.290 nan 0.000 0.566 480 L N 0.501 121.594 121.223 -0.216 0.000 2.334 480 L HA 0.374 4.714 4.340 -0.000 0.000 0.275 480 L C -1.218 175.333 176.870 -0.531 0.000 1.036 480 L CA -1.768 52.864 54.840 -0.346 0.000 0.807 480 L CB 1.966 43.904 42.059 -0.202 0.000 1.231 480 L HN 0.365 nan 8.230 nan 0.000 0.438 481 P HA -0.119 nan 4.420 nan 0.000 0.236 481 P C 0.966 177.650 177.300 -1.026 0.000 1.172 481 P CA 0.931 63.293 63.100 -1.229 0.000 0.759 481 P CB 0.245 30.679 31.700 -2.110 0.000 0.843 482 S N -1.323 114.039 115.700 -0.563 0.000 1.799 482 S HA -0.331 4.139 4.470 -0.000 0.000 0.230 482 S C 1.281 175.782 174.600 -0.165 0.000 0.932 482 S CA 1.654 59.680 58.200 -0.290 0.000 1.516 482 S CB -2.675 60.398 63.200 -0.212 0.000 1.962 482 S HN 0.326 nan 8.310 nan 0.000 0.542 483 Y N 2.403 122.641 120.300 -0.104 0.000 2.462 483 Y HA 0.821 5.371 4.550 -0.000 0.000 0.293 483 Y C 0.971 176.932 175.900 0.102 0.000 1.195 483 Y CA -0.706 57.403 58.100 0.015 0.000 1.276 483 Y CB -0.919 37.567 38.460 0.043 0.000 1.082 483 Y HN 0.762 nan 8.280 nan 0.000 0.514 484 A N 2.043 124.871 122.820 0.013 0.000 2.454 484 A HA 0.357 4.676 4.320 -0.000 0.000 0.260 484 A C -2.233 175.542 177.584 0.318 0.000 1.106 484 A CA -1.512 50.688 52.037 0.272 0.000 0.780 484 A CB -0.312 18.735 19.000 0.078 0.000 1.044 484 A HN 0.214 nan 8.150 nan 0.000 0.498 485 P HA 0.033 nan 4.420 nan 0.000 0.264 485 P C -0.405 177.009 177.300 0.190 0.000 1.173 485 P CA 0.733 63.993 63.100 0.267 0.000 0.761 485 P CB 0.337 32.185 31.700 0.246 0.000 0.794 486 Q N 3.397 123.279 119.800 0.137 0.000 3.122 486 Q HA 0.332 4.672 4.340 -0.000 0.000 0.282 486 Q C -2.446 173.605 176.000 0.085 0.000 0.947 486 Q CA -1.901 53.967 55.803 0.107 0.000 0.812 486 Q CB -0.217 28.575 28.738 0.088 0.000 1.333 486 Q HN 0.263 nan 8.270 nan 0.000 0.430 487 P HA -0.006 nan 4.420 nan 0.000 0.263 487 P C -0.775 176.550 177.300 0.042 0.000 1.168 487 P CA 0.409 63.537 63.100 0.047 0.000 0.759 487 P CB 0.765 32.491 31.700 0.043 0.000 0.782 488 T N 1.383 115.944 114.554 0.010 0.000 2.916 488 T HA 0.481 4.831 4.350 -0.000 0.000 0.298 488 T C -1.168 173.499 174.700 -0.055 0.000 1.031 488 T CA -0.506 61.600 62.100 0.010 0.000 0.993 488 T CB 0.759 69.638 68.868 0.019 0.000 1.045 488 T HN 0.202 nan 8.240 nan 0.000 0.454 489 S N 3.430 119.072 115.700 -0.097 0.000 2.596 489 S HA 0.332 4.802 4.470 -0.000 0.000 0.318 489 S C 1.113 175.643 174.600 -0.117 0.000 1.097 489 S CA -0.623 57.452 58.200 -0.208 0.000 1.080 489 S CB 0.785 63.669 63.200 -0.526 0.000 0.991 489 S HN 0.762 nan 8.310 nan 0.000 0.471 490 N N 4.267 122.915 118.700 -0.088 0.000 2.064 490 N HA -0.219 4.521 4.740 -0.000 0.000 0.200 490 N C 1.967 177.454 175.510 -0.037 0.000 1.028 490 N CA 2.444 55.465 53.050 -0.050 0.000 0.880 490 N CB -0.362 38.100 38.487 -0.042 0.000 1.062 490 N HN 0.797 nan 8.380 nan 0.000 0.454 491 A N -0.747 122.034 122.820 -0.066 0.000 1.986 491 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 491 A C 1.943 179.542 177.584 0.025 0.000 1.171 491 A CA 1.140 53.159 52.037 -0.030 0.000 0.640 491 A CB -0.834 18.129 19.000 -0.062 0.000 0.811 491 A HN 0.336 nan 8.150 nan 0.000 0.451 492 F N -0.363 119.419 119.950 -0.280 0.000 2.325 492 F HA 0.020 4.547 4.527 -0.000 0.000 0.299 492 F C 2.229 177.863 175.800 -0.276 0.000 1.090 492 F CA 1.406 59.107 58.000 -0.498 0.000 1.392 492 F CB -0.078 38.456 39.000 -0.776 0.000 1.053 492 F HN 0.280 nan 8.300 nan 0.000 0.521 493 K N -0.426 119.995 120.400 0.034 0.000 2.365 493 K HA 0.062 4.382 4.320 -0.000 0.000 0.195 493 K C 1.917 178.549 176.600 0.053 0.000 1.079 493 K CA 0.414 56.737 56.287 0.060 0.000 0.979 493 K CB 0.293 32.822 32.500 0.047 0.000 0.929 493 K HN -0.029 nan 8.250 nan 0.000 0.523 494 V N 1.925 121.861 119.914 0.038 0.000 2.527 494 V HA -0.281 3.839 4.120 -0.000 0.000 0.255 494 V C 2.108 178.243 176.094 0.067 0.000 1.081 494 V CA 1.645 63.974 62.300 0.048 0.000 1.092 494 V CB -0.365 31.486 31.823 0.046 0.000 0.673 494 V HN 0.315 nan 8.190 nan 0.000 0.470 495 I N -0.860 119.742 120.570 0.053 0.000 2.429 495 I HA -0.102 4.068 4.170 -0.000 0.000 0.247 495 I C 2.211 178.395 176.117 0.111 0.000 1.099 495 I CA 0.931 62.267 61.300 0.061 0.000 1.422 495 I CB -0.294 37.641 38.000 -0.108 0.000 1.112 495 I HN 0.212 nan 8.210 nan 0.000 0.430 496 D N 1.108 121.578 120.400 0.116 0.000 2.244 496 D HA -0.252 4.388 4.640 -0.000 0.000 0.197 496 D C 2.042 178.386 176.300 0.074 0.000 1.006 496 D CA 1.513 55.569 54.000 0.093 0.000 0.888 496 D CB 0.021 40.889 40.800 0.112 0.000 0.912 496 D HN 0.167 nan 8.370 nan 0.000 0.452 497 K N -0.199 120.248 120.400 0.079 0.000 2.099 497 K HA 0.063 4.383 4.320 -0.000 0.000 0.203 497 K C 2.248 178.898 176.600 0.082 0.000 1.047 497 K CA 0.514 56.841 56.287 0.067 0.000 0.963 497 K CB 0.003 32.539 32.500 0.060 0.000 0.759 497 K HN 0.150 nan 8.250 nan 0.000 0.451 498 Q N 0.810 120.675 119.800 0.108 0.000 2.096 498 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 498 Q C 2.046 178.158 176.000 0.188 0.000 0.982 498 Q CA 1.824 57.713 55.803 0.143 0.000 0.850 498 Q CB -0.706 28.137 28.738 0.176 0.000 0.901 498 Q HN 0.515 nan 8.270 nan 0.000 0.422 499 I N -0.862 119.835 120.570 0.212 0.000 2.623 499 I HA -0.230 3.940 4.170 -0.000 0.000 0.261 499 I C 0.787 176.981 176.117 0.129 0.000 1.204 499 I CA 1.169 62.602 61.300 0.223 0.000 1.444 499 I CB -0.591 37.454 38.000 0.076 0.000 1.094 499 I HN 0.124 nan 8.210 nan 0.000 0.451 500 N N 2.378 121.136 118.700 0.097 0.000 2.648 500 N HA -0.105 4.635 4.740 -0.000 0.000 0.210 500 N C 0.676 176.229 175.510 0.071 0.000 1.464 500 N CA 0.087 53.176 53.050 0.065 0.000 0.890 500 N CB -0.187 38.331 38.487 0.052 0.000 1.179 500 N HN 0.658 nan 8.380 nan 0.000 0.476 501 Q N 0.405 120.264 119.800 0.097 0.000 2.615 501 Q HA -0.070 4.269 4.340 -0.000 0.000 0.220 501 Q C 0.883 176.919 176.000 0.060 0.000 0.981 501 Q CA 0.304 56.163 55.803 0.093 0.000 0.939 501 Q CB 0.031 28.850 28.738 0.135 0.000 0.982 501 Q HN 0.495 nan 8.270 nan 0.000 0.550 502 L N -2.757 118.493 121.223 0.046 0.000 5.414 502 L HA -0.408 3.932 4.340 -0.000 0.000 0.053 502 L C 1.098 177.984 176.870 0.025 0.000 3.270 502 L CA 1.603 56.461 54.840 0.030 0.000 1.296 502 L CB -1.553 40.523 42.059 0.027 0.000 3.113 502 L HN 0.211 nan 8.230 nan 0.000 1.031 503 V N -3.764 116.165 119.914 0.025 0.000 3.528 503 V HA 0.348 4.468 4.120 -0.000 0.000 0.294 503 V C 0.530 176.640 176.094 0.026 0.000 1.404 503 V CA 0.772 63.084 62.300 0.020 0.000 1.065 503 V CB 0.875 32.706 31.823 0.014 0.000 0.904 503 V HN 0.786 nan 8.190 nan 0.000 0.435 504 T N 1.226 115.802 114.554 0.037 0.000 3.640 504 T HA -0.002 4.348 4.350 -0.000 0.000 0.392 504 T C 0.056 174.777 174.700 0.035 0.000 0.762 504 T CA 0.739 62.866 62.100 0.045 0.000 2.076 504 T CB -1.512 67.377 68.868 0.036 0.000 1.767 504 T HN 0.854 nan 8.240 nan 0.000 0.840 505 D N 0.441 120.864 120.400 0.039 0.000 2.603 505 D HA -0.148 4.492 4.640 -0.000 0.000 0.180 505 D C 0.876 177.188 176.300 0.020 0.000 0.972 505 D CA 2.024 56.039 54.000 0.025 0.000 1.022 505 D CB -0.668 40.140 40.800 0.014 0.000 1.079 505 D HN 0.616 nan 8.370 nan 0.000 0.455 506 E N 0.185 120.399 120.200 0.022 0.000 2.049 506 E HA -0.091 4.259 4.350 -0.000 0.000 0.198 506 E C 1.939 178.549 176.600 0.017 0.000 1.007 506 E CA 1.532 57.942 56.400 0.018 0.000 0.809 506 E CB -0.096 29.615 29.700 0.018 0.000 0.749 506 E HN 0.626 nan 8.360 nan 0.000 0.450 507 L N -1.315 119.921 121.223 0.022 0.000 2.208 507 L HA 0.117 4.457 4.340 -0.000 0.000 0.196 507 L C 0.739 177.621 176.870 0.020 0.000 1.130 507 L CA 0.876 55.729 54.840 0.021 0.000 0.791 507 L CB 0.250 42.324 42.059 0.026 0.000 0.969 507 L HN 0.078 nan 8.230 nan 0.000 0.468 508 T N 0.487 115.057 114.554 0.027 0.000 2.855 508 T HA 0.374 4.724 4.350 -0.000 0.000 0.281 508 T C 0.359 175.072 174.700 0.021 0.000 1.007 508 T CA -0.826 61.287 62.100 0.021 0.000 1.009 508 T CB 0.878 69.761 68.868 0.025 0.000 0.983 508 T HN 0.295 nan 8.240 nan 0.000 0.455 509 L N 3.166 124.394 121.223 0.007 0.000 2.361 509 L HA 0.462 4.802 4.340 -0.000 0.000 0.161 509 L C 1.312 178.182 176.870 -0.000 0.000 0.893 509 L CA -0.062 54.778 54.840 -0.001 0.000 1.513 509 L CB -0.250 41.800 42.059 -0.015 0.000 1.826 509 L HN 0.551 nan 8.230 nan 0.000 0.453 510 E N -1.061 119.125 120.200 -0.023 0.000 2.451 510 E HA -0.006 4.344 4.350 -0.000 0.000 0.194 510 E C 0.658 177.232 176.600 -0.044 0.000 1.027 510 E CA -0.081 56.304 56.400 -0.025 0.000 0.914 510 E CB -0.252 29.401 29.700 -0.079 0.000 1.054 510 E HN 0.528 nan 8.360 nan 0.000 0.461 511 Q N 1.012 120.784 119.800 -0.047 0.000 3.151 511 Q HA 0.231 4.571 4.340 -0.000 0.000 0.277 511 Q C -0.331 175.612 176.000 -0.095 0.000 1.343 511 Q CA 0.030 55.796 55.803 -0.062 0.000 0.925 511 Q CB -1.373 27.340 28.738 -0.042 0.000 1.771 511 Q HN 0.321 nan 8.270 nan 0.000 0.514 512 L N 0.370 121.490 121.223 -0.171 0.000 2.331 512 L HA 0.504 4.844 4.340 -0.000 0.000 0.268 512 L C -1.533 175.085 176.870 -0.419 0.000 1.015 512 L CA -2.379 52.292 54.840 -0.282 0.000 0.807 512 L CB 1.052 42.861 42.059 -0.417 0.000 1.293 512 L HN 0.074 nan 8.230 nan 0.000 0.451 513 P HA -0.013 nan 4.420 nan 0.000 0.263 513 P C 1.060 177.808 177.300 -0.921 0.000 1.386 513 P CA 0.252 63.087 63.100 -0.442 0.000 0.797 513 P CB -0.270 31.355 31.700 -0.126 0.000 1.381 514 T N -2.142 111.592 114.554 -1.366 0.000 2.653 514 T HA -0.294 4.056 4.350 -0.000 0.000 0.268 514 T C 1.801 176.190 174.700 -0.519 0.000 1.035 514 T CA 1.394 62.576 62.100 -1.530 0.000 1.154 514 T CB -1.183 66.962 68.868 -1.204 0.000 0.862 514 T HN 0.114 nan 8.240 nan 0.000 0.441 515 A N 0.981 123.635 122.820 -0.276 0.000 2.272 515 A HA -0.030 4.290 4.320 -0.000 0.000 0.213 515 A C 2.036 179.606 177.584 -0.023 0.000 1.183 515 A CA 1.260 53.257 52.037 -0.068 0.000 0.719 515 A CB -0.664 18.306 19.000 -0.050 0.000 0.771 515 A HN 0.804 nan 8.150 nan 0.000 0.484 516 Q N -2.473 117.291 119.800 -0.060 0.000 2.140 516 Q HA 0.070 4.409 4.340 -0.000 0.000 0.227 516 Q C -0.802 175.329 176.000 0.219 0.000 0.798 516 Q CA -0.610 55.231 55.803 0.063 0.000 0.987 516 Q CB 0.482 29.241 28.738 0.035 0.000 1.161 516 Q HN 0.710 nan 8.270 nan 0.000 0.480 517 W N 3.625 124.883 121.300 -0.071 0.000 2.368 517 W HA 0.127 4.787 4.660 -0.000 0.000 0.316 517 W C 0.964 177.617 176.519 0.223 0.000 1.375 517 W CA -0.530 56.719 57.345 -0.159 0.000 1.261 517 W CB 0.060 28.960 29.460 -0.933 0.000 1.298 517 W HN -0.032 nan 8.180 nan 0.000 0.539 518 T N 1.637 116.404 114.554 0.354 0.000 2.788 518 T HA 0.086 4.435 4.350 -0.000 0.000 0.287 518 T C 1.359 176.387 174.700 0.547 0.000 1.007 518 T CA -0.893 61.429 62.100 0.370 0.000 1.005 518 T CB 1.018 70.025 68.868 0.231 0.000 1.012 518 T HN 0.396 nan 8.240 nan 0.000 0.530 519 L N 1.161 122.644 121.223 0.433 0.000 1.997 519 L HA -0.200 4.140 4.340 -0.000 0.000 0.216 519 L C 2.296 179.345 176.870 0.299 0.000 1.074 519 L CA 2.399 57.426 54.840 0.310 0.000 0.763 519 L CB -1.615 40.520 42.059 0.128 0.000 0.890 519 L HN 0.840 nan 8.230 nan 0.000 0.434 520 H N -0.202 118.986 119.070 0.197 0.000 2.543 520 H HA -0.070 4.486 4.556 -0.000 0.000 0.286 520 H C 1.736 177.239 175.328 0.292 0.000 1.037 520 H CA 0.962 57.158 56.048 0.246 0.000 1.250 520 H CB -0.215 29.669 29.762 0.205 0.000 1.373 520 H HN 0.508 nan 8.280 nan 0.000 0.580 521 E N -1.317 119.030 120.200 0.246 0.000 2.479 521 E HA -0.000 4.349 4.350 -0.000 0.000 0.193 521 E C 0.506 176.776 176.600 -0.550 0.000 1.049 521 E CA -0.010 56.264 56.400 -0.209 0.000 0.870 521 E CB 0.153 29.546 29.700 -0.512 0.000 0.944 521 E HN 0.553 nan 8.360 nan 0.000 0.492 522 W N -1.111 120.091 121.300 -0.163 0.000 2.865 522 W HA 0.263 4.923 4.660 -0.000 0.000 0.300 522 W C 1.349 177.845 176.519 -0.039 0.000 1.096 522 W CA -0.238 57.063 57.345 -0.073 0.000 1.524 522 W CB 0.557 30.032 29.460 0.024 0.000 0.991 522 W HN 0.006 nan 8.180 nan 0.000 0.571 523 L N -0.795 120.510 121.223 0.137 0.000 2.249 523 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 523 L C 2.486 179.307 176.870 -0.081 0.000 1.090 523 L CA 0.814 55.684 54.840 0.051 0.000 0.802 523 L CB -0.736 41.349 42.059 0.044 0.000 0.947 523 L HN 0.122 nan 8.230 nan 0.000 0.453 524 H N 0.114 118.960 119.070 -0.372 0.000 2.270 524 H HA -0.265 4.291 4.556 -0.000 0.000 0.299 524 H C 2.248 177.362 175.328 -0.356 0.000 1.077 524 H CA 2.435 58.141 56.048 -0.571 0.000 1.294 524 H CB -0.155 28.863 29.762 -1.239 0.000 1.371 524 H HN 0.276 nan 8.280 nan 0.000 0.491 525 F N 1.752 121.447 119.950 -0.425 0.000 2.085 525 F HA -0.288 4.239 4.527 -0.000 0.000 0.299 525 F C 2.548 178.241 175.800 -0.178 0.000 1.096 525 F CA 2.339 60.118 58.000 -0.367 0.000 1.227 525 F CB -0.181 38.557 39.000 -0.438 0.000 0.983 525 F HN 0.225 nan 8.300 nan 0.000 0.482 526 I N -2.606 117.824 120.570 -0.234 0.000 3.526 526 I HA -0.014 4.156 4.170 -0.000 0.000 0.294 526 I C 1.743 177.742 176.117 -0.196 0.000 1.229 526 I CA 0.608 61.756 61.300 -0.252 0.000 1.408 526 I CB -0.803 37.264 38.000 0.111 0.000 1.127 526 I HN 0.084 nan 8.210 nan 0.000 0.439 527 N N 2.658 121.247 118.700 -0.184 0.000 2.223 527 N HA -0.147 4.593 4.740 -0.000 0.000 0.185 527 N C 0.680 176.042 175.510 -0.246 0.000 1.016 527 N CA 1.507 54.444 53.050 -0.188 0.000 0.863 527 N CB -0.296 38.089 38.487 -0.169 0.000 0.983 527 N HN 0.638 nan 8.380 nan 0.000 0.429 528 N N -0.191 118.294 118.700 -0.358 0.000 2.234 528 N HA 0.157 4.897 4.740 -0.000 0.000 0.227 528 N C -0.283 175.046 175.510 -0.303 0.000 1.151 528 N CA -0.211 52.632 53.050 -0.345 0.000 0.865 528 N CB 1.191 39.374 38.487 -0.507 0.000 1.066 528 N HN 0.105 nan 8.380 nan 0.000 0.515 529 L N 2.092 123.114 121.223 -0.335 0.000 2.380 529 L HA 0.361 4.701 4.340 -0.000 0.000 0.273 529 L C -2.186 174.566 176.870 -0.197 0.000 1.138 529 L CA -1.535 53.107 54.840 -0.330 0.000 0.832 529 L CB 0.677 42.452 42.059 -0.473 0.000 1.124 529 L HN -0.121 nan 8.230 nan 0.000 0.454 530 P HA -0.046 nan 4.420 nan 0.000 0.265 530 P C 0.241 177.489 177.300 -0.087 0.000 1.193 530 P CA -0.267 62.776 63.100 -0.096 0.000 0.765 530 P CB 0.596 32.257 31.700 -0.065 0.000 0.823 531 V N 1.372 121.241 119.914 -0.076 0.000 3.564 531 V HA 0.003 4.123 4.120 -0.000 0.000 0.283 531 V C 0.365 176.430 176.094 -0.049 0.000 1.227 531 V CA 1.160 63.420 62.300 -0.067 0.000 1.217 531 V CB -1.494 30.293 31.823 -0.061 0.000 0.994 531 V HN 0.535 nan 8.190 nan 0.000 0.446 540 N N 1.494 120.187 118.700 -0.011 0.000 2.218 540 N HA -0.306 4.434 4.740 -0.000 0.000 0.166 540 N C 1.144 176.584 175.510 -0.117 0.000 0.703 540 N CA 3.113 56.133 53.050 -0.051 0.000 0.906 540 N CB -0.772 37.712 38.487 -0.005 0.000 0.967 540 N HN 0.626 nan 8.380 nan 0.000 1.113 541 L N -1.391 119.808 121.223 -0.039 0.000 2.488 541 L HA 0.087 4.427 4.340 -0.000 0.000 0.186 541 L C 2.069 178.890 176.870 -0.082 0.000 1.124 541 L CA 0.909 55.756 54.840 0.012 0.000 0.838 541 L CB -0.534 41.657 42.059 0.220 0.000 1.107 541 L HN 0.112 nan 8.230 nan 0.000 0.494 542 D N 0.475 120.868 120.400 -0.011 0.000 2.104 542 D HA -0.274 4.365 4.640 -0.000 0.000 0.194 542 D C 1.990 178.287 176.300 -0.006 0.000 0.994 542 D CA 1.488 55.496 54.000 0.013 0.000 0.830 542 D CB 0.223 41.274 40.800 0.419 0.000 0.959 542 D HN -0.141 nan 8.370 nan 0.000 0.452 543 K N 0.327 120.730 120.400 0.005 0.000 2.148 543 K HA 0.077 4.397 4.320 -0.000 0.000 0.204 543 K C 1.700 178.223 176.600 -0.129 0.000 1.050 543 K CA 1.347 57.618 56.287 -0.027 0.000 0.942 543 K CB -0.738 31.763 32.500 0.001 0.000 0.724 543 K HN 0.160 nan 8.250 nan 0.000 0.446 544 A N -0.269 122.383 122.820 -0.281 0.000 1.832 544 A HA -0.035 4.285 4.320 -0.000 0.000 0.214 544 A C 1.815 179.168 177.584 -0.384 0.000 1.200 544 A CA 1.538 53.292 52.037 -0.470 0.000 0.610 544 A CB -0.722 17.762 19.000 -0.861 0.000 0.842 544 A HN 0.299 nan 8.150 nan 0.000 0.444 545 F N -0.329 119.577 119.950 -0.075 0.000 2.754 545 F HA 0.180 4.707 4.527 -0.000 0.000 0.297 545 F C 0.616 176.292 175.800 -0.207 0.000 1.122 545 F CA -0.249 57.676 58.000 -0.124 0.000 1.400 545 F CB -0.352 38.597 39.000 -0.086 0.000 1.117 545 F HN 0.345 nan 8.300 nan 0.000 0.587 546 D N 1.547 121.912 120.400 -0.060 0.000 3.038 546 D HA -0.184 4.456 4.640 -0.000 0.000 0.229 546 D C 0.420 176.577 176.300 -0.238 0.000 1.182 546 D CA 0.157 54.099 54.000 -0.096 0.000 0.852 546 D CB -0.559 40.219 40.800 -0.037 0.000 0.932 546 D HN 0.183 nan 8.370 nan 0.000 0.406 547 L N 1.933 122.828 121.223 -0.548 0.000 2.492 547 L HA 0.046 4.386 4.340 -0.000 0.000 0.223 547 L C 2.691 179.168 176.870 -0.656 0.000 1.132 547 L CA 0.930 55.245 54.840 -0.875 0.000 0.850 547 L CB -0.506 40.563 42.059 -1.651 0.000 0.966 547 L HN 0.199 nan 8.230 nan 0.000 0.454 548 T N -0.134 114.318 114.554 -0.171 0.000 2.643 548 T HA -0.178 4.172 4.350 -0.000 0.000 0.264 548 T C 1.377 176.209 174.700 0.220 0.000 1.045 548 T CA 1.830 64.164 62.100 0.390 0.000 1.155 548 T CB -0.378 68.797 68.868 0.512 0.000 0.863 548 T HN 0.449 nan 8.240 nan 0.000 0.420 549 N N 1.685 120.451 118.700 0.110 0.000 2.313 549 N HA 0.109 4.849 4.740 -0.000 0.000 0.207 549 N C -0.031 175.487 175.510 0.012 0.000 1.141 549 N CA -0.452 52.651 53.050 0.089 0.000 0.830 549 N CB 0.144 38.679 38.487 0.079 0.000 1.008 549 N HN 0.341 nan 8.380 nan 0.000 0.481 550 S N -0.434 115.226 115.700 -0.068 0.000 2.558 550 S HA -0.039 4.430 4.470 -0.000 0.000 0.293 550 S C 1.339 175.901 174.600 -0.063 0.000 1.292 550 S CA -0.519 57.601 58.200 -0.133 0.000 1.063 550 S CB 1.723 64.776 63.200 -0.245 0.000 0.831 550 S HN 0.150 nan 8.310 nan 0.000 0.499 551 S N 2.569 118.229 115.700 -0.067 0.000 2.343 551 S HA -0.131 4.339 4.470 -0.000 0.000 0.212 551 S C 1.064 175.661 174.600 -0.005 0.000 1.033 551 S CA 0.671 58.859 58.200 -0.019 0.000 1.004 551 S CB -0.778 62.402 63.200 -0.033 0.000 0.977 551 S HN 0.900 nan 8.310 nan 0.000 0.427 552 N N 1.335 120.008 118.700 -0.046 0.000 2.359 552 N HA 0.016 4.756 4.740 -0.000 0.000 0.261 552 N C 0.920 176.437 175.510 0.011 0.000 1.267 552 N CA 0.698 53.735 53.050 -0.022 0.000 0.864 552 N CB 1.087 39.536 38.487 -0.063 0.000 1.063 552 N HN 0.415 nan 8.380 nan 0.000 0.474 553 A N 5.113 127.982 122.820 0.081 0.000 1.908 553 A HA -0.155 4.164 4.320 -0.000 0.000 0.218 553 A C 1.865 179.532 177.584 0.138 0.000 1.181 553 A CA 1.159 53.306 52.037 0.183 0.000 0.627 553 A CB -0.312 18.817 19.000 0.215 0.000 0.818 553 A HN 0.813 nan 8.150 nan 0.000 0.445 554 E N -0.099 120.145 120.200 0.073 0.000 2.058 554 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 554 E C 2.044 178.671 176.600 0.045 0.000 0.997 554 E CA 1.125 57.565 56.400 0.066 0.000 0.801 554 E CB -0.403 29.303 29.700 0.010 0.000 0.746 554 E HN 0.543 nan 8.360 nan 0.000 0.450 555 I N 1.203 121.755 120.570 -0.030 0.000 2.099 555 I HA -0.249 3.921 4.170 -0.000 0.000 0.239 555 I C 2.541 178.567 176.117 -0.151 0.000 1.066 555 I CA 1.274 62.520 61.300 -0.091 0.000 1.324 555 I CB -1.593 36.291 38.000 -0.194 0.000 1.037 555 I HN -0.028 nan 8.210 nan 0.000 0.401 556 A N -0.184 122.492 122.820 -0.239 0.000 1.948 556 A HA -0.318 4.002 4.320 -0.000 0.000 0.220 556 A C 2.280 179.367 177.584 -0.830 0.000 1.177 556 A CA 2.406 54.090 52.037 -0.588 0.000 0.636 556 A CB -1.105 17.570 19.000 -0.542 0.000 0.815 556 A HN 0.622 nan 8.150 nan 0.000 0.449 557 H N -0.135 118.676 119.070 -0.431 0.000 2.256 557 H HA 0.065 4.621 4.556 -0.000 0.000 0.299 557 H C 2.241 177.491 175.328 -0.130 0.000 1.071 557 H CA 2.238 58.163 56.048 -0.206 0.000 1.280 557 H CB -0.563 29.217 29.762 0.031 0.000 1.370 557 H HN 0.351 nan 8.280 nan 0.000 0.490 558 A N 1.166 123.882 122.820 -0.174 0.000 1.986 558 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 558 A C 2.526 180.062 177.584 -0.081 0.000 1.171 558 A CA 1.686 53.629 52.037 -0.156 0.000 0.640 558 A CB -1.609 17.390 19.000 -0.001 0.000 0.811 558 A HN 0.839 nan 8.150 nan 0.000 0.451 559 W N -0.510 120.599 121.300 -0.318 0.000 2.380 559 W HA -0.221 4.439 4.660 -0.000 0.000 0.317 559 W C 1.856 178.271 176.519 -0.174 0.000 1.196 559 W CA 1.712 58.902 57.345 -0.257 0.000 1.307 559 W CB -0.349 28.907 29.460 -0.341 0.000 1.157 559 W HN 0.464 nan 8.180 nan 0.000 0.483 560 Y N 0.778 120.949 120.300 -0.215 0.000 2.207 560 Y HA -0.260 4.290 4.550 -0.000 0.000 0.287 560 Y C 2.470 178.165 175.900 -0.340 0.000 1.156 560 Y CA 1.124 59.010 58.100 -0.357 0.000 1.182 560 Y CB -1.760 36.536 38.460 -0.272 0.000 0.979 560 Y HN -0.032 nan 8.280 nan 0.000 0.521 561 L N -0.207 120.902 121.223 -0.190 0.000 1.990 561 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 561 L C 2.318 179.083 176.870 -0.175 0.000 1.072 561 L CA 1.586 56.297 54.840 -0.216 0.000 0.755 561 L CB -1.125 40.729 42.059 -0.342 0.000 0.889 561 L HN 0.277 nan 8.230 nan 0.000 0.432 562 L N -1.487 119.622 121.223 -0.191 0.000 2.056 562 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 562 L C 2.446 179.174 176.870 -0.236 0.000 1.078 562 L CA 1.844 56.576 54.840 -0.181 0.000 0.749 562 L CB -0.719 41.257 42.059 -0.138 0.000 0.901 562 L HN 0.283 nan 8.230 nan 0.000 0.433 563 S N -0.787 114.686 115.700 -0.379 0.000 2.398 563 S HA -0.270 4.200 4.470 -0.000 0.000 0.220 563 S C 1.923 176.440 174.600 -0.138 0.000 1.038 563 S CA 1.764 59.764 58.200 -0.334 0.000 1.080 563 S CB -1.023 61.917 63.200 -0.432 0.000 1.039 563 S HN 0.406 nan 8.310 nan 0.000 0.419 564 V N 2.487 122.311 119.914 -0.150 0.000 2.370 564 V HA -0.309 3.811 4.120 -0.000 0.000 0.252 564 V C 2.376 178.451 176.094 -0.031 0.000 1.068 564 V CA 1.988 64.243 62.300 -0.074 0.000 1.061 564 V CB -0.529 31.211 31.823 -0.138 0.000 0.656 564 V HN 0.364 nan 8.190 nan 0.000 0.455 565 R N 0.071 120.534 120.500 -0.062 0.000 2.075 565 R HA -0.074 4.266 4.340 -0.000 0.000 0.230 565 R C 2.232 178.510 176.300 -0.038 0.000 1.140 565 R CA 1.651 57.723 56.100 -0.048 0.000 0.928 565 R CB -0.756 29.503 30.300 -0.067 0.000 0.834 565 R HN 0.550 nan 8.270 nan 0.000 0.429 566 A N 1.070 123.859 122.820 -0.052 0.000 2.239 566 A HA -0.030 4.290 4.320 -0.000 0.000 0.209 566 A C -0.472 177.110 177.584 -0.002 0.000 1.171 566 A CA 0.550 52.566 52.037 -0.034 0.000 0.768 566 A CB -0.332 18.636 19.000 -0.054 0.000 0.790 566 A HN 0.498 nan 8.150 nan 0.000 0.478 567 D N -2.786 117.617 120.400 0.005 0.000 2.828 567 D HA -0.218 4.422 4.640 -0.000 0.000 0.241 567 D C -0.476 175.860 176.300 0.060 0.000 1.142 567 D CA 0.739 54.755 54.000 0.025 0.000 0.755 567 D CB -1.650 39.148 40.800 -0.004 0.000 1.014 567 D HN 0.566 nan 8.370 nan 0.000 0.420 568 Y N 0.970 121.220 120.300 -0.083 0.000 2.888 568 Y HA 0.268 4.818 4.550 -0.000 0.000 0.341 568 Y C 1.151 177.036 175.900 -0.026 0.000 1.241 568 Y CA -1.111 56.933 58.100 -0.094 0.000 1.440 568 Y CB -0.011 38.327 38.460 -0.204 0.000 1.517 568 Y HN -0.018 nan 8.280 nan 0.000 0.518 569 K N -0.107 120.187 120.400 -0.176 0.000 2.293 569 K HA -0.259 4.061 4.320 -0.000 0.000 0.204 569 K C 1.436 177.875 176.600 -0.268 0.000 1.045 569 K CA 1.814 57.964 56.287 -0.229 0.000 0.933 569 K CB -0.224 32.024 32.500 -0.420 0.000 0.736 569 K HN 0.418 nan 8.250 nan 0.000 0.463 570 E N 1.078 120.917 120.200 -0.601 0.000 2.219 570 E HA -0.130 4.220 4.350 -0.000 0.000 0.198 570 E C 1.341 177.773 176.600 -0.279 0.000 0.998 570 E CA 1.251 57.323 56.400 -0.548 0.000 0.818 570 E CB -0.072 29.139 29.700 -0.815 0.000 0.741 570 E HN 0.370 nan 8.360 nan 0.000 0.477 571 V N -1.511 118.263 119.914 -0.233 0.000 3.577 571 V HA 0.103 4.223 4.120 -0.000 0.000 0.294 571 V C 1.233 177.230 176.094 -0.161 0.000 1.317 571 V CA 0.075 62.365 62.300 -0.016 0.000 1.169 571 V CB -1.037 30.867 31.823 0.135 0.000 1.011 571 V HN 0.065 nan 8.190 nan 0.000 0.426 572 Y N 2.063 122.172 120.300 -0.318 0.000 2.200 572 Y HA 0.046 4.596 4.550 -0.000 0.000 0.290 572 Y C 0.569 176.438 175.900 -0.051 0.000 1.137 572 Y CA 2.192 60.041 58.100 -0.418 0.000 1.163 572 Y CB -1.554 36.455 38.460 -0.752 0.000 0.988 572 Y HN 0.363 nan 8.280 nan 0.000 0.518 573 P HA -0.200 nan 4.420 nan 0.000 0.214 573 P C 1.343 178.717 177.300 0.124 0.000 1.162 573 P CA 2.309 65.512 63.100 0.171 0.000 0.879 573 P CB -0.121 31.646 31.700 0.111 0.000 0.786 574 A N -0.069 122.793 122.820 0.069 0.000 1.933 574 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 574 A C 2.448 179.992 177.584 -0.067 0.000 1.175 574 A CA 1.947 54.038 52.037 0.091 0.000 0.628 574 A CB -1.518 17.609 19.000 0.212 0.000 0.814 574 A HN 0.164 nan 8.150 nan 0.000 0.444 575 M N -0.653 118.682 119.600 -0.442 0.000 2.229 575 M HA -0.063 4.417 4.480 -0.000 0.000 0.264 575 M C 2.240 178.499 176.300 -0.068 0.000 1.063 575 M CA 1.302 56.141 55.300 -0.768 0.000 1.114 575 M CB -0.271 31.798 32.600 -0.885 0.000 1.387 575 M HN 0.456 nan 8.290 nan 0.000 0.420 576 A N 0.816 123.714 122.820 0.130 0.000 1.841 576 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 576 A C 2.131 179.762 177.584 0.079 0.000 1.199 576 A CA 2.165 54.268 52.037 0.109 0.000 0.621 576 A CB -0.868 18.268 19.000 0.227 0.000 0.835 576 A HN 0.547 nan 8.150 nan 0.000 0.445 577 K N -1.970 118.498 120.400 0.114 0.000 2.103 577 K HA -0.227 4.093 4.320 -0.000 0.000 0.207 577 K C 1.920 178.615 176.600 0.158 0.000 1.048 577 K CA 1.880 58.238 56.287 0.118 0.000 0.930 577 K CB -0.360 32.217 32.500 0.128 0.000 0.716 577 K HN 0.573 nan 8.250 nan 0.000 0.444 578 Y N 1.257 121.599 120.300 0.070 0.000 2.145 578 Y HA -0.205 4.345 4.550 -0.000 0.000 0.286 578 Y C 1.748 177.705 175.900 0.095 0.000 1.145 578 Y CA 1.563 59.736 58.100 0.122 0.000 1.148 578 Y CB -0.133 38.459 38.460 0.221 0.000 0.981 578 Y HN -0.003 nan 8.280 nan 0.000 0.507 579 L N -0.174 121.128 121.223 0.133 0.000 2.056 579 L HA -0.219 4.121 4.340 -0.000 0.000 0.207 579 L C 2.334 179.294 176.870 0.150 0.000 1.078 579 L CA 1.702 56.571 54.840 0.048 0.000 0.749 579 L CB -0.477 41.552 42.059 -0.050 0.000 0.901 579 L HN 0.130 nan 8.230 nan 0.000 0.433 580 K N -0.505 119.951 120.400 0.093 0.000 2.057 580 K HA -0.085 4.234 4.320 -0.000 0.000 0.206 580 K C 2.255 178.903 176.600 0.081 0.000 1.050 580 K CA 1.433 57.757 56.287 0.062 0.000 0.935 580 K CB -0.141 32.365 32.500 0.010 0.000 0.715 580 K HN 0.141 nan 8.250 nan 0.000 0.439 581 S N 1.228 116.964 115.700 0.060 0.000 2.343 581 S HA -0.045 4.424 4.470 -0.000 0.000 0.212 581 S C 1.128 175.754 174.600 0.044 0.000 1.033 581 S CA 0.643 58.868 58.200 0.042 0.000 1.004 581 S CB -0.205 63.013 63.200 0.031 0.000 0.977 581 S HN 0.329 nan 8.310 nan 0.000 0.427 582 I N 0.566 121.099 120.570 -0.061 0.000 2.532 582 I HA 0.502 4.672 4.170 -0.000 0.000 0.292 582 I C 0.722 176.803 176.117 -0.059 0.000 1.014 582 I CA -0.184 61.062 61.300 -0.091 0.000 1.340 582 I CB 1.363 39.213 38.000 -0.249 0.000 1.422 582 I HN 0.319 nan 8.210 nan 0.000 0.528 583 G N 6.403 115.157 108.800 -0.077 0.000 3.695 583 G HA2 0.118 4.078 3.960 -0.000 0.000 0.277 583 G HA3 0.118 4.078 3.960 -0.000 0.000 0.277 583 G C 0.483 175.208 174.900 -0.292 0.000 1.001 583 G CA -0.499 44.436 45.100 -0.275 0.000 0.837 583 G HN 0.668 nan 8.290 nan 0.000 0.492 584 R N 0.979 121.356 120.500 -0.205 0.000 2.484 584 R HA 0.218 4.557 4.340 -0.000 0.000 0.293 584 R C 1.419 177.542 176.300 -0.294 0.000 1.023 584 R CA -0.224 55.746 56.100 -0.216 0.000 1.037 584 R CB 0.440 30.659 30.300 -0.134 0.000 0.951 584 R HN 0.177 nan 8.270 nan 0.000 0.418 585 R N 2.477 122.762 120.500 -0.360 0.000 2.075 585 R HA -0.119 4.221 4.340 -0.000 0.000 0.230 585 R C 1.105 177.237 176.300 -0.281 0.000 1.140 585 R CA 1.465 57.358 56.100 -0.345 0.000 0.928 585 R CB -0.265 29.762 30.300 -0.455 0.000 0.834 585 R HN 0.491 nan 8.270 nan 0.000 0.429 586 K N 1.457 121.678 120.400 -0.298 0.000 3.414 586 K HA -0.104 4.216 4.320 -0.000 0.000 0.297 586 K C -0.111 176.297 176.600 -0.320 0.000 0.885 586 K CA 0.587 56.715 56.287 -0.265 0.000 1.051 586 K CB -0.026 32.331 32.500 -0.238 0.000 1.158 586 K HN 0.062 nan 8.250 nan 0.000 0.365 587 L N 0.699 121.727 121.223 -0.326 0.000 4.368 587 L HA 0.155 4.495 4.340 -0.000 0.000 0.430 587 L C 0.536 177.348 176.870 -0.097 0.000 1.098 587 L CA 0.254 54.863 54.840 -0.385 0.000 1.557 587 L CB 0.546 42.475 42.059 -0.217 0.000 1.638 587 L HN 0.390 nan 8.230 nan 0.000 0.622 588 I N -7.130 113.370 120.570 -0.116 0.000 4.866 588 I HA 0.213 4.383 4.170 -0.000 0.000 0.325 588 I C 1.405 177.471 176.117 -0.085 0.000 1.240 588 I CA 0.107 61.340 61.300 -0.112 0.000 1.355 588 I CB 0.041 37.922 38.000 -0.200 0.000 1.395 588 I HN -0.224 nan 8.210 nan 0.000 0.479 589 V N 3.611 123.495 119.914 -0.050 0.000 2.214 589 V HA -0.139 3.981 4.120 -0.000 0.000 0.247 589 V C -0.027 176.102 176.094 0.058 0.000 1.051 589 V CA 3.156 65.463 62.300 0.011 0.000 1.003 589 V CB -2.025 29.755 31.823 -0.071 0.000 0.635 589 V HN 0.333 nan 8.190 nan 0.000 0.447 590 P HA -0.181 nan 4.420 nan 0.000 0.217 590 P C 1.859 179.225 177.300 0.111 0.000 1.148 590 P CA 1.483 64.644 63.100 0.102 0.000 0.828 590 P CB -0.036 31.763 31.700 0.165 0.000 0.783 591 L N -1.366 119.938 121.223 0.134 0.000 1.994 591 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 591 L C 2.718 179.608 176.870 0.033 0.000 1.071 591 L CA 1.862 56.733 54.840 0.052 0.000 0.745 591 L CB -1.742 40.345 42.059 0.048 0.000 0.892 591 L HN -0.138 nan 8.230 nan 0.000 0.431 592 Y N 0.030 120.365 120.300 0.059 0.000 2.333 592 Y HA -0.215 4.335 4.550 -0.000 0.000 0.290 592 Y C 2.337 178.241 175.900 0.007 0.000 1.144 592 Y CA 0.895 59.004 58.100 0.014 0.000 1.228 592 Y CB -0.566 37.855 38.460 -0.064 0.000 0.985 592 Y HN 0.236 nan 8.280 nan 0.000 0.542 593 K N -0.218 120.275 120.400 0.156 0.000 1.973 593 K HA -0.140 4.180 4.320 -0.000 0.000 0.210 593 K C 1.939 178.585 176.600 0.077 0.000 1.045 593 K CA 1.307 57.646 56.287 0.087 0.000 0.937 593 K CB -0.218 32.315 32.500 0.056 0.000 0.721 593 K HN 0.107 nan 8.250 nan 0.000 0.438 594 E N 1.133 121.371 120.200 0.063 0.000 2.130 594 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 594 E C 2.054 178.699 176.600 0.074 0.000 0.998 594 E CA 0.958 57.386 56.400 0.046 0.000 0.806 594 E CB -0.231 29.478 29.700 0.014 0.000 0.738 594 E HN 0.115 nan 8.360 nan 0.000 0.459 595 L N 0.612 121.905 121.223 0.116 0.000 2.027 595 L HA -0.029 4.311 4.340 -0.000 0.000 0.206 595 L C 1.311 178.292 176.870 0.185 0.000 1.074 595 L CA 1.531 56.482 54.840 0.186 0.000 0.745 595 L CB -0.605 41.621 42.059 0.278 0.000 0.898 595 L HN -0.042 nan 8.230 nan 0.000 0.433 596 A N -0.554 122.358 122.820 0.155 0.000 3.118 596 A HA 0.260 4.580 4.320 -0.000 0.000 0.256 596 A C 0.774 178.401 177.584 0.072 0.000 1.667 596 A CA 0.034 52.135 52.037 0.106 0.000 1.338 596 A CB -0.708 18.333 19.000 0.069 0.000 1.127 596 A HN 0.449 nan 8.150 nan 0.000 0.634 597 K N -0.141 120.302 120.400 0.072 0.000 2.637 597 K HA 0.104 4.424 4.320 -0.000 0.000 0.184 597 K C -0.643 175.983 176.600 0.044 0.000 1.200 597 K CA -0.106 56.210 56.287 0.048 0.000 1.122 597 K CB 0.406 32.929 32.500 0.039 0.000 0.926 597 K HN 0.449 nan 8.250 nan 0.000 0.535 598 N N 0.185 118.918 118.700 0.056 0.000 2.664 598 N HA 0.241 4.980 4.740 -0.000 0.000 0.268 598 N C 0.236 175.780 175.510 0.058 0.000 1.222 598 N CA 0.037 53.114 53.050 0.046 0.000 0.805 598 N CB 1.251 39.768 38.487 0.049 0.000 1.399 598 N HN 0.038 nan 8.380 nan 0.000 0.547 599 A N 2.207 125.054 122.820 0.045 0.000 2.023 599 A HA -0.280 4.040 4.320 -0.000 0.000 0.223 599 A C 1.788 179.408 177.584 0.060 0.000 1.180 599 A CA 2.204 54.270 52.037 0.048 0.000 0.659 599 A CB -0.469 18.550 19.000 0.032 0.000 0.817 599 A HN 0.819 nan 8.150 nan 0.000 0.466 600 E N -1.166 119.065 120.200 0.052 0.000 2.076 600 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 600 E C 2.216 178.872 176.600 0.094 0.000 0.979 600 E CA 1.040 57.471 56.400 0.050 0.000 0.807 600 E CB -0.139 29.569 29.700 0.013 0.000 0.761 600 E HN 0.579 nan 8.360 nan 0.000 0.454 601 S N 0.470 116.235 115.700 0.109 0.000 2.345 601 S HA -0.139 4.331 4.470 -0.000 0.000 0.219 601 S C 1.966 176.728 174.600 0.270 0.000 1.031 601 S CA 1.392 59.712 58.200 0.199 0.000 0.984 601 S CB -0.209 63.096 63.200 0.175 0.000 0.874 601 S HN 0.232 nan 8.310 nan 0.000 0.451 602 K N 0.529 121.038 120.400 0.181 0.000 2.286 602 K HA -0.100 4.220 4.320 -0.000 0.000 0.203 602 K C 1.777 178.467 176.600 0.149 0.000 1.045 602 K CA 1.236 57.617 56.287 0.155 0.000 0.935 602 K CB -0.360 32.196 32.500 0.093 0.000 0.737 602 K HN 0.422 nan 8.250 nan 0.000 0.460 603 A N -0.057 122.860 122.820 0.162 0.000 1.935 603 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 603 A C 1.756 179.459 177.584 0.199 0.000 1.178 603 A CA 0.722 52.843 52.037 0.140 0.000 0.640 603 A CB -0.812 18.256 19.000 0.114 0.000 0.825 603 A HN 0.674 nan 8.150 nan 0.000 0.447 604 W N 1.225 122.581 121.300 0.093 0.000 2.374 604 W HA -0.110 4.550 4.660 -0.000 0.000 0.288 604 W C 2.225 178.838 176.519 0.157 0.000 1.218 604 W CA 1.591 59.011 57.345 0.125 0.000 1.245 604 W CB -0.149 29.422 29.460 0.185 0.000 1.126 604 W HN 0.371 nan 8.180 nan 0.000 0.545 605 A N 0.064 123.006 122.820 0.204 0.000 1.834 605 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 605 A C 2.088 179.661 177.584 -0.019 0.000 1.203 605 A CA 2.871 54.963 52.037 0.091 0.000 0.621 605 A CB -1.397 17.710 19.000 0.178 0.000 0.841 605 A HN 0.153 nan 8.150 nan 0.000 0.446 606 V N 0.512 120.430 119.914 0.008 0.000 2.363 606 V HA -0.310 3.810 4.120 -0.000 0.000 0.254 606 V C 2.591 178.671 176.094 -0.023 0.000 1.074 606 V CA 2.421 64.733 62.300 0.020 0.000 1.069 606 V CB -0.915 30.924 31.823 0.027 0.000 0.659 606 V HN 0.527 nan 8.190 nan 0.000 0.455 607 E N 0.008 120.172 120.200 -0.059 0.000 2.106 607 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 607 E C 2.287 178.791 176.600 -0.161 0.000 0.984 607 E CA 1.718 58.061 56.400 -0.094 0.000 0.806 607 E CB -0.452 29.209 29.700 -0.065 0.000 0.750 607 E HN 0.702 nan 8.360 nan 0.000 0.458 608 V N -1.180 118.579 119.914 -0.258 0.000 2.379 608 V HA -0.099 4.021 4.120 -0.000 0.000 0.243 608 V C 2.209 178.257 176.094 -0.077 0.000 1.035 608 V CA 1.144 63.303 62.300 -0.234 0.000 1.035 608 V CB -1.099 30.458 31.823 -0.445 0.000 0.673 608 V HN 0.097 nan 8.190 nan 0.000 0.457 609 Y N 2.015 122.220 120.300 -0.159 0.000 2.651 609 Y HA -0.046 4.504 4.550 -0.000 0.000 0.293 609 Y C 2.019 177.796 175.900 -0.205 0.000 1.151 609 Y CA 1.484 59.463 58.100 -0.202 0.000 1.362 609 Y CB -0.358 37.856 38.460 -0.411 0.000 0.973 609 Y HN 0.252 nan 8.280 nan 0.000 0.561 610 K N -0.522 119.715 120.400 -0.271 0.000 2.356 610 K HA 0.035 4.355 4.320 -0.000 0.000 0.195 610 K C 1.823 178.256 176.600 -0.279 0.000 1.037 610 K CA 0.537 56.638 56.287 -0.310 0.000 1.014 610 K CB 0.160 32.555 32.500 -0.175 0.000 0.815 610 K HN 0.285 nan 8.250 nan 0.000 0.507 611 Q N -0.994 118.662 119.800 -0.240 0.000 2.304 611 Q HA 0.232 4.572 4.340 -0.000 0.000 0.204 611 Q C 1.813 177.658 176.000 -0.259 0.000 0.936 611 Q CA 1.207 56.892 55.803 -0.198 0.000 0.878 611 Q CB 0.020 28.678 28.738 -0.132 0.000 0.983 611 Q HN 0.202 nan 8.270 nan 0.000 0.516 612 A N 1.083 123.714 122.820 -0.316 0.000 2.169 612 A HA -0.045 4.274 4.320 -0.000 0.000 0.212 612 A C 2.012 178.986 177.584 -1.017 0.000 1.153 612 A CA 0.395 52.132 52.037 -0.501 0.000 0.756 612 A CB -0.125 18.708 19.000 -0.279 0.000 0.813 612 A HN 0.004 nan 8.150 nan 0.000 0.471 613 R N 0.825 120.812 120.500 -0.855 0.000 2.097 613 R HA -0.064 4.276 4.340 -0.000 0.000 0.236 613 R C -1.733 174.272 176.300 -0.492 0.000 1.135 613 R CA 1.331 56.908 56.100 -0.872 0.000 0.934 613 R CB -1.731 28.016 30.300 -0.922 0.000 0.846 613 R HN 0.346 nan 8.270 nan 0.000 0.431 614 P HA 0.144 nan 4.420 nan 0.000 0.276 614 P C 0.234 177.450 177.300 -0.139 0.000 1.243 614 P CA 1.109 64.100 63.100 -0.183 0.000 0.768 614 P CB 1.043 32.654 31.700 -0.149 0.000 0.856 615 G N 2.631 111.413 108.800 -0.030 0.000 2.436 615 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.204 615 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.204 615 G C -0.192 174.833 174.900 0.209 0.000 1.026 615 G CA -0.505 44.626 45.100 0.052 0.000 0.658 615 G HN 0.375 nan 8.290 nan 0.000 0.499 616 Y N 2.852 123.193 120.300 0.068 0.000 2.550 616 Y HA 0.410 4.960 4.550 -0.000 0.000 0.343 616 Y C 1.294 177.283 175.900 0.148 0.000 1.245 616 Y CA -0.789 57.384 58.100 0.122 0.000 1.462 616 Y CB 0.115 38.662 38.460 0.145 0.000 1.340 616 Y HN 0.328 nan 8.280 nan 0.000 0.604 617 H N 1.152 120.365 119.070 0.239 0.000 2.690 617 H HA 0.079 4.635 4.556 -0.000 0.000 0.365 617 H C 1.239 176.647 175.328 0.133 0.000 1.142 617 H CA 0.482 56.634 56.048 0.172 0.000 1.417 617 H CB 1.144 31.024 29.762 0.197 0.000 1.446 617 H HN 0.837 nan 8.280 nan 0.000 0.599 618 G N 3.890 112.836 108.800 0.244 0.000 2.513 618 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 618 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 618 G C 1.873 176.943 174.900 0.283 0.000 1.160 618 G CA 0.909 46.145 45.100 0.226 0.000 0.767 618 G HN 0.652 nan 8.290 nan 0.000 0.571 619 L N 0.463 121.933 121.223 0.412 0.000 2.351 619 L HA -0.091 4.249 4.340 -0.000 0.000 0.220 619 L C 3.124 180.006 176.870 0.020 0.000 1.127 619 L CA 0.878 55.791 54.840 0.122 0.000 0.786 619 L CB -0.310 41.760 42.059 0.018 0.000 0.914 619 L HN 0.388 nan 8.230 nan 0.000 0.443 620 A N -0.598 122.258 122.820 0.060 0.000 1.919 620 A HA -0.078 4.242 4.320 -0.000 0.000 0.211 620 A C 2.122 179.748 177.584 0.070 0.000 1.310 620 A CA 0.318 52.330 52.037 -0.041 0.000 0.651 620 A CB -0.374 18.539 19.000 -0.146 0.000 0.996 620 A HN 0.296 nan 8.150 nan 0.000 0.479 621 Q N -0.058 119.887 119.800 0.242 0.000 2.103 621 Q HA -0.252 4.088 4.340 -0.000 0.000 0.213 621 Q C 2.048 178.165 176.000 0.195 0.000 1.008 621 Q CA 1.700 57.716 55.803 0.355 0.000 0.879 621 Q CB -0.731 28.196 28.738 0.314 0.000 0.946 621 Q HN 0.686 nan 8.270 nan 0.000 0.413 622 G N 0.507 109.384 108.800 0.128 0.000 2.599 622 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.219 622 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.219 622 G C 1.398 176.314 174.900 0.027 0.000 1.193 622 G CA 1.710 46.856 45.100 0.077 0.000 0.778 622 G HN 0.361 nan 8.290 nan 0.000 0.589 623 T N 0.799 115.349 114.554 -0.007 0.000 2.652 623 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 623 T C 2.508 177.158 174.700 -0.084 0.000 1.039 623 T CA 1.510 63.579 62.100 -0.051 0.000 1.153 623 T CB -0.499 68.316 68.868 -0.088 0.000 0.863 623 T HN 0.069 nan 8.240 nan 0.000 0.428 624 V N 2.245 122.083 119.914 -0.126 0.000 2.594 624 V HA -0.148 3.972 4.120 -0.000 0.000 0.253 624 V C 2.245 178.089 176.094 -0.418 0.000 1.069 624 V CA 1.443 63.546 62.300 -0.329 0.000 1.082 624 V CB -0.607 30.894 31.823 -0.537 0.000 0.680 624 V HN 0.458 nan 8.190 nan 0.000 0.469 625 D N 0.674 120.972 120.400 -0.169 0.000 2.264 625 D HA -0.083 4.557 4.640 -0.000 0.000 0.208 625 D C 2.105 178.369 176.300 -0.058 0.000 0.966 625 D CA 1.547 55.519 54.000 -0.047 0.000 0.864 625 D CB 0.046 40.895 40.800 0.082 0.000 0.933 625 D HN 0.538 nan 8.370 nan 0.000 0.499 626 G N 0.748 109.508 108.800 -0.066 0.000 2.437 626 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.212 626 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.212 626 G C 1.668 176.532 174.900 -0.059 0.000 1.174 626 G CA 0.613 45.686 45.100 -0.045 0.000 0.811 626 G HN 0.299 nan 8.290 nan 0.000 0.537 627 V N -1.286 118.579 119.914 -0.082 0.000 3.444 627 V HA 0.258 4.377 4.120 -0.000 0.000 0.271 627 V C 1.438 177.481 176.094 -0.086 0.000 1.188 627 V CA 0.729 62.990 62.300 -0.064 0.000 1.168 627 V CB -0.090 31.705 31.823 -0.045 0.000 0.810 627 V HN 0.096 nan 8.190 nan 0.000 0.500 628 L N 0.895 122.035 121.223 -0.138 0.000 3.141 628 L HA 0.497 4.837 4.340 -0.000 0.000 0.267 628 L C 0.560 177.392 176.870 -0.064 0.000 1.281 628 L CA -0.248 54.508 54.840 -0.140 0.000 1.037 628 L CB -1.003 40.879 42.059 -0.294 0.000 1.407 628 L HN 0.588 nan 8.230 nan 0.000 0.566 629 K N 0.000 120.377 120.400 -0.038 0.000 2.780 629 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 629 K CA 0.000 56.279 56.287 -0.014 0.000 0.838 629 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 629 K HN 0.000 nan 8.250 nan 0.000 0.543