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 3bz1_1_C DATA FIRST_RESID 27 DATA SEQUENCE DQESSGFAWW AGNARLINLS GKLLGAHVAH AGLIVFWAGA MTLFELAHFI DATA SEQUENCE PEKPMYEQGL ILIPHIATLG WGVGPGGEVV DTFPFFVVGV VHLISSAVLG DATA SEQUENCE FGGVYHAIRG PETLEEYSSF FGYDWKDKNK MTTILGFHLI VLGIGALLLV DATA SEQUENCE AKAMFFGGLY DTWAPGGGDV RVITNPTLDP RVIFGYLLKS PFGGEGWIVS DATA SEQUENCE VNNLEDVVGG HIWIGLICIA GGIWHILTTP FGWARRAFIW SGEAYLSYSL DATA SEQUENCE GALSMMGFIA TCFVWFNNTV YPSEFYGPTG PEASQAQAMT FLIRDQKLGA DATA SEQUENCE NVGSAQGPTG LGKYLMRSPT GEIIFGGETM RFWDFRGPWL EPLRGPNGLD DATA SEQUENCE LNKIKNDIQP WQERRAAEYM THAPLGSLNS VGGVATEINS VNFVSPRSWL DATA SEQUENCE ATSHFVLAFF FLVGHLWHAG RARAAAAGFE KGIDRESEPV LSMPSLD 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 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.299 176.300 -0.001 0.000 2.045 27 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 27 D CB 0.000 40.797 40.800 -0.004 0.000 0.688 28 Q N 1.129 120.932 119.800 0.006 0.000 2.333 28 Q HA 0.498 4.837 4.340 -0.001 0.000 0.267 28 Q C -0.658 175.353 176.000 0.017 0.000 1.012 28 Q CA -0.065 55.746 55.803 0.012 0.000 0.824 28 Q CB 2.340 31.094 28.738 0.026 0.000 1.290 28 Q HN 0.399 nan 8.270 nan 0.000 0.449 29 E N -0.299 119.909 120.200 0.014 0.000 2.296 29 E HA 0.274 4.624 4.350 -0.001 0.000 0.224 29 E C 0.470 177.080 176.600 0.015 0.000 0.949 29 E CA -0.655 55.757 56.400 0.019 0.000 0.879 29 E CB -0.361 29.346 29.700 0.012 0.000 1.922 29 E HN 0.221 nan 8.360 nan 0.000 0.437 30 S N -0.743 114.967 115.700 0.018 0.000 2.420 30 S HA -0.104 4.365 4.470 -0.001 0.000 0.237 30 S C 0.671 175.258 174.600 -0.022 0.000 1.023 30 S CA 1.402 59.608 58.200 0.010 0.000 0.991 30 S CB -0.573 62.643 63.200 0.027 0.000 0.792 30 S HN 0.385 nan 8.310 nan 0.000 0.488 31 S N 0.662 116.344 115.700 -0.029 0.000 3.324 31 S HA 0.505 4.975 4.470 -0.001 0.000 0.229 31 S C 0.666 175.214 174.600 -0.088 0.000 1.417 31 S CA 0.007 58.174 58.200 -0.056 0.000 1.211 31 S CB 0.280 63.456 63.200 -0.040 0.000 1.157 31 S HN 0.661 nan 8.310 nan 0.000 0.491 32 G N 0.393 109.121 108.800 -0.119 0.000 2.704 32 G HA2 0.488 4.448 3.960 -0.001 0.000 0.151 32 G HA3 0.488 4.448 3.960 -0.001 0.000 0.151 32 G C -0.472 174.201 174.900 -0.377 0.000 1.372 32 G CA -0.068 44.921 45.100 -0.185 0.000 0.765 32 G HN 0.406 nan 8.290 nan 0.000 0.680 33 F N 0.251 120.135 119.950 -0.110 0.000 2.726 33 F HA 0.792 5.318 4.527 -0.001 0.000 0.324 33 F C 0.414 176.053 175.800 -0.269 0.000 1.140 33 F CA -0.653 57.231 58.000 -0.192 0.000 0.964 33 F CB 1.538 40.406 39.000 -0.220 0.000 1.399 33 F HN 0.401 nan 8.300 nan 0.000 0.491 34 A N 1.338 124.011 122.820 -0.246 0.000 2.313 34 A HA 0.249 4.569 4.320 -0.001 0.000 0.261 34 A C 0.885 178.119 177.584 -0.584 0.000 1.090 34 A CA -0.193 51.529 52.037 -0.524 0.000 0.807 34 A CB -0.097 18.259 19.000 -1.073 0.000 1.055 34 A HN 0.995 nan 8.150 nan 0.000 0.492 35 W N 1.399 122.456 121.300 -0.405 0.000 2.317 35 W HA -0.221 4.439 4.660 -0.001 0.000 0.318 35 W C 1.539 177.945 176.519 -0.187 0.000 1.227 35 W CA 1.796 59.017 57.345 -0.206 0.000 1.269 35 W CB -1.101 28.334 29.460 -0.043 0.000 1.155 35 W HN 0.859 nan 8.180 nan 0.000 0.484 36 W N 0.427 120.959 121.300 -1.279 0.000 2.848 36 W HA 0.395 5.054 4.660 -0.000 0.000 0.241 36 W C 0.995 177.178 176.519 -0.560 0.000 1.289 36 W CA 0.665 57.226 57.345 -1.305 0.000 1.396 36 W CB -1.373 27.023 29.460 -1.773 0.000 1.138 36 W HN 0.070 nan 8.180 nan 0.000 0.677 37 A N 0.696 123.144 122.820 -0.619 0.000 2.609 37 A HA 0.458 4.777 4.320 -0.001 0.000 0.286 37 A C 1.893 179.259 177.584 -0.363 0.000 1.138 37 A CA 0.301 52.064 52.037 -0.457 0.000 0.960 37 A CB -0.698 17.847 19.000 -0.759 0.000 1.208 37 A HN 0.220 nan 8.150 nan 0.000 0.541 38 G N 1.660 110.328 108.800 -0.219 0.000 2.624 38 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.221 38 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.221 38 G C 1.211 176.075 174.900 -0.061 0.000 1.169 38 G CA 1.347 46.402 45.100 -0.075 0.000 0.771 38 G HN 0.559 nan 8.290 nan 0.000 0.598 39 N N 1.271 119.927 118.700 -0.072 0.000 2.513 39 N HA -0.045 4.694 4.740 -0.001 0.000 0.187 39 N C 2.123 177.587 175.510 -0.077 0.000 1.056 39 N CA 0.924 53.943 53.050 -0.051 0.000 0.907 39 N CB -0.177 38.280 38.487 -0.050 0.000 0.954 39 N HN 0.406 nan 8.380 nan 0.000 0.445 40 A N 0.619 123.317 122.820 -0.204 0.000 2.208 40 A HA 0.055 4.375 4.320 -0.001 0.000 0.209 40 A C 2.017 179.630 177.584 0.048 0.000 1.161 40 A CA 0.188 52.053 52.037 -0.286 0.000 0.782 40 A CB -0.049 18.387 19.000 -0.939 0.000 0.816 40 A HN 0.150 nan 8.150 nan 0.000 0.477 41 R N -0.640 119.949 120.500 0.149 0.000 2.307 41 R HA 0.167 4.507 4.340 -0.001 0.000 0.199 41 R C 0.606 176.999 176.300 0.154 0.000 1.000 41 R CA 0.484 56.739 56.100 0.258 0.000 1.023 41 R CB -0.167 30.236 30.300 0.173 0.000 0.908 41 R HN 0.458 nan 8.270 nan 0.000 0.473 42 L N -0.018 121.278 121.223 0.123 0.000 2.667 42 L HA 0.168 4.508 4.340 -0.001 0.000 0.232 42 L C 1.538 178.517 176.870 0.181 0.000 1.138 42 L CA -0.051 54.862 54.840 0.122 0.000 0.921 42 L CB 0.144 42.265 42.059 0.104 0.000 1.180 42 L HN 0.113 nan 8.230 nan 0.000 0.487 43 I N 0.594 121.284 120.570 0.200 0.000 2.423 43 I HA -0.251 3.919 4.170 -0.001 0.000 0.254 43 I C 0.670 177.023 176.117 0.394 0.000 1.151 43 I CA 1.298 62.767 61.300 0.282 0.000 1.421 43 I CB -0.054 38.064 38.000 0.197 0.000 1.079 43 I HN 0.437 nan 8.210 nan 0.000 0.431 44 N N 0.848 119.683 118.700 0.224 0.000 2.599 44 N HA 0.286 5.026 4.740 -0.001 0.000 0.309 44 N C -0.735 174.782 175.510 0.012 0.000 1.743 44 N CA -0.008 53.117 53.050 0.125 0.000 0.918 44 N CB 1.470 40.019 38.487 0.104 0.000 1.339 44 N HN 0.085 nan 8.380 nan 0.000 0.493 45 L N 0.738 121.965 121.223 0.007 0.000 2.804 45 L HA 0.142 4.482 4.340 -0.001 0.000 0.294 45 L C 1.607 178.438 176.870 -0.065 0.000 1.355 45 L CA -0.043 54.775 54.840 -0.036 0.000 0.749 45 L CB 0.590 42.653 42.059 0.006 0.000 1.103 45 L HN 0.062 nan 8.230 nan 0.000 0.542 46 S N -0.553 115.027 115.700 -0.200 0.000 2.502 46 S HA -0.361 4.109 4.470 -0.001 0.000 0.288 46 S C 2.034 176.601 174.600 -0.054 0.000 1.186 46 S CA 2.169 60.234 58.200 -0.224 0.000 1.182 46 S CB -1.195 61.630 63.200 -0.625 0.000 1.135 46 S HN 0.557 nan 8.310 nan 0.000 0.442 47 G N 2.131 110.876 108.800 -0.093 0.000 2.545 47 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.217 47 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.217 47 G C 1.465 176.324 174.900 -0.068 0.000 1.218 47 G CA 1.166 46.207 45.100 -0.098 0.000 0.787 47 G HN 0.633 nan 8.290 nan 0.000 0.571 48 K N -0.400 119.984 120.400 -0.027 0.000 2.097 48 K HA -0.002 4.318 4.320 -0.001 0.000 0.206 48 K C 2.292 178.928 176.600 0.060 0.000 1.049 48 K CA 0.781 57.070 56.287 0.004 0.000 0.933 48 K CB -0.288 32.215 32.500 0.007 0.000 0.717 48 K HN 0.247 nan 8.250 nan 0.000 0.442 49 L N 1.204 122.486 121.223 0.098 0.000 2.549 49 L HA -0.077 4.263 4.340 -0.001 0.000 0.229 49 L C 1.640 178.675 176.870 0.275 0.000 1.158 49 L CA 1.022 55.989 54.840 0.212 0.000 0.842 49 L CB -0.193 42.021 42.059 0.258 0.000 0.952 49 L HN 0.093 nan 8.230 nan 0.000 0.452 50 L N -1.448 119.844 121.223 0.116 0.000 2.253 50 L HA 0.323 4.662 4.340 -0.001 0.000 0.205 50 L C 2.271 179.203 176.870 0.103 0.000 1.078 50 L CA 1.477 56.351 54.840 0.056 0.000 0.805 50 L CB -0.991 40.968 42.059 -0.166 0.000 0.963 50 L HN 0.152 nan 8.230 nan 0.000 0.459 51 G N -0.303 108.548 108.800 0.085 0.000 2.446 51 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.217 51 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.217 51 G C 1.598 176.564 174.900 0.110 0.000 1.168 51 G CA 1.037 46.206 45.100 0.114 0.000 0.771 51 G HN 0.601 nan 8.290 nan 0.000 0.551 52 A N 0.979 123.860 122.820 0.101 0.000 1.859 52 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 52 A C 2.143 179.741 177.584 0.024 0.000 1.209 52 A CA 2.266 54.326 52.037 0.039 0.000 0.639 52 A CB -1.089 17.901 19.000 -0.017 0.000 0.835 52 A HN 0.500 nan 8.150 nan 0.000 0.450 53 H N -1.185 117.926 119.070 0.068 0.000 2.457 53 H HA -0.023 4.532 4.556 -0.001 0.000 0.297 53 H C 1.837 177.223 175.328 0.096 0.000 1.092 53 H CA 1.445 57.530 56.048 0.061 0.000 1.309 53 H CB -0.188 29.591 29.762 0.028 0.000 1.382 53 H HN 0.273 nan 8.280 nan 0.000 0.535 54 V N -0.193 119.840 119.914 0.199 0.000 2.878 54 V HA -0.013 4.107 4.120 -0.001 0.000 0.250 54 V C 2.345 178.527 176.094 0.146 0.000 1.075 54 V CA 1.154 63.555 62.300 0.169 0.000 1.096 54 V CB -0.409 31.523 31.823 0.181 0.000 0.724 54 V HN 0.544 nan 8.190 nan 0.000 0.467 55 A N -0.773 122.122 122.820 0.125 0.000 1.898 55 A HA -0.174 4.146 4.320 -0.001 0.000 0.214 55 A C 2.228 179.859 177.584 0.079 0.000 1.183 55 A CA 1.392 53.480 52.037 0.085 0.000 0.622 55 A CB -0.707 18.325 19.000 0.054 0.000 0.824 55 A HN 0.607 nan 8.150 nan 0.000 0.444 56 H N 0.521 119.594 119.070 0.006 0.000 2.270 56 H HA -0.058 4.498 4.556 -0.001 0.000 0.299 56 H C 2.248 177.597 175.328 0.035 0.000 1.077 56 H CA 1.850 57.894 56.048 -0.007 0.000 1.294 56 H CB -0.425 29.302 29.762 -0.059 0.000 1.371 56 H HN 0.362 nan 8.280 nan 0.000 0.491 57 A N 0.419 123.412 122.820 0.288 0.000 2.139 57 A HA -0.146 4.174 4.320 -0.001 0.000 0.221 57 A C 2.675 180.347 177.584 0.147 0.000 1.159 57 A CA 1.549 53.721 52.037 0.224 0.000 0.662 57 A CB -1.175 17.930 19.000 0.174 0.000 0.796 57 A HN 0.621 nan 8.150 nan 0.000 0.463 58 G N -0.323 108.544 108.800 0.111 0.000 2.396 58 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.214 58 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.214 58 G C 1.462 176.433 174.900 0.118 0.000 1.166 58 G CA 0.781 45.946 45.100 0.109 0.000 0.793 58 G HN 0.447 nan 8.290 nan 0.000 0.533 59 L N 0.311 121.540 121.223 0.010 0.000 2.127 59 L HA -0.047 4.293 4.340 -0.001 0.000 0.211 59 L C 2.767 179.721 176.870 0.142 0.000 1.089 59 L CA 0.699 55.537 54.840 -0.003 0.000 0.757 59 L CB -0.338 41.589 42.059 -0.221 0.000 0.899 59 L HN 0.217 nan 8.230 nan 0.000 0.434 60 I N -1.262 119.373 120.570 0.107 0.000 2.286 60 I HA -0.202 3.968 4.170 -0.001 0.000 0.245 60 I C 2.405 178.710 176.117 0.314 0.000 1.104 60 I CA 0.778 62.199 61.300 0.202 0.000 1.397 60 I CB -0.249 37.855 38.000 0.173 0.000 1.072 60 I HN 0.004 nan 8.210 nan 0.000 0.417 61 V N 0.832 120.908 119.914 0.269 0.000 2.358 61 V HA -0.289 3.830 4.120 -0.001 0.000 0.246 61 V C 2.310 178.570 176.094 0.276 0.000 1.047 61 V CA 1.805 64.279 62.300 0.290 0.000 1.035 61 V CB -0.710 31.220 31.823 0.179 0.000 0.658 61 V HN 0.333 nan 8.190 nan 0.000 0.452 62 F N -0.038 119.988 119.950 0.126 0.000 2.065 62 F HA -0.293 4.233 4.527 -0.001 0.000 0.298 62 F C 2.159 178.016 175.800 0.094 0.000 1.112 62 F CA 2.365 60.418 58.000 0.088 0.000 1.212 62 F CB -0.482 38.561 39.000 0.072 0.000 0.975 62 F HN 0.297 nan 8.300 nan 0.000 0.476 63 W N 1.108 122.518 121.300 0.184 0.000 2.322 63 W HA -0.231 4.428 4.660 -0.000 0.000 0.326 63 W C 2.539 179.016 176.519 -0.071 0.000 1.224 63 W CA 2.992 60.363 57.345 0.044 0.000 1.257 63 W CB -1.198 28.299 29.460 0.062 0.000 1.174 63 W HN 0.144 nan 8.180 nan 0.000 0.460 64 A N 0.848 123.704 122.820 0.060 0.000 1.915 64 A HA -0.238 4.082 4.320 -0.001 0.000 0.220 64 A C 2.206 179.523 177.584 -0.446 0.000 1.198 64 A CA 2.971 54.841 52.037 -0.279 0.000 0.647 64 A CB -1.806 17.178 19.000 -0.026 0.000 0.825 64 A HN 0.543 nan 8.150 nan 0.000 0.456 65 G N -1.177 107.464 108.800 -0.266 0.000 2.434 65 G HA2 0.062 4.021 3.960 -0.001 0.000 0.214 65 G HA3 0.062 4.021 3.960 -0.001 0.000 0.214 65 G C 1.808 176.478 174.900 -0.384 0.000 1.202 65 G CA 1.523 46.456 45.100 -0.278 0.000 0.788 65 G HN 0.997 nan 8.290 nan 0.000 0.539 66 A N -0.077 122.444 122.820 -0.498 0.000 2.024 66 A HA -0.050 4.270 4.320 -0.001 0.000 0.220 66 A C 2.306 179.661 177.584 -0.382 0.000 1.164 66 A CA 2.324 54.058 52.037 -0.504 0.000 0.643 66 A CB -0.329 18.207 19.000 -0.773 0.000 0.806 66 A HN 0.420 nan 8.150 nan 0.000 0.451 67 M N -0.701 118.566 119.600 -0.554 0.000 2.193 67 M HA -0.023 4.457 4.480 -0.001 0.000 0.265 67 M C 2.020 178.141 176.300 -0.299 0.000 1.071 67 M CA 2.219 57.200 55.300 -0.532 0.000 1.140 67 M CB -0.765 31.164 32.600 -1.119 0.000 1.369 67 M HN 0.319 nan 8.290 nan 0.000 0.423 68 T N 1.163 115.496 114.554 -0.369 0.000 2.665 68 T HA -0.169 4.181 4.350 -0.001 0.000 0.268 68 T C 1.767 176.384 174.700 -0.138 0.000 1.035 68 T CA 1.968 63.911 62.100 -0.263 0.000 1.151 68 T CB -0.586 68.108 68.868 -0.291 0.000 0.862 68 T HN 0.397 nan 8.240 nan 0.000 0.438 69 L N -0.358 120.795 121.223 -0.116 0.000 2.131 69 L HA -0.017 4.323 4.340 -0.001 0.000 0.210 69 L C 2.273 179.180 176.870 0.062 0.000 1.092 69 L CA 1.097 55.928 54.840 -0.015 0.000 0.759 69 L CB -0.567 41.469 42.059 -0.038 0.000 0.903 69 L HN 0.188 nan 8.230 nan 0.000 0.435 70 F N 1.061 120.967 119.950 -0.073 0.000 2.113 70 F HA -0.183 4.344 4.527 -0.001 0.000 0.297 70 F C 2.440 178.316 175.800 0.126 0.000 1.103 70 F CA 1.574 59.593 58.000 0.032 0.000 1.248 70 F CB -0.083 38.879 39.000 -0.063 0.000 0.999 70 F HN 0.032 nan 8.300 nan 0.000 0.475 71 E N 0.086 120.331 120.200 0.075 0.000 2.017 71 E HA -0.264 4.086 4.350 -0.001 0.000 0.193 71 E C 2.144 178.754 176.600 0.018 0.000 0.997 71 E CA 1.552 57.945 56.400 -0.012 0.000 0.804 71 E CB -0.605 29.050 29.700 -0.075 0.000 0.757 71 E HN 0.367 nan 8.360 nan 0.000 0.448 72 L N 1.074 122.288 121.223 -0.014 0.000 2.042 72 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 72 L C 2.231 179.139 176.870 0.062 0.000 1.076 72 L CA 2.002 56.865 54.840 0.039 0.000 0.749 72 L CB -0.518 41.572 42.059 0.052 0.000 0.893 72 L HN 0.067 nan 8.230 nan 0.000 0.432 73 A N -1.580 121.233 122.820 -0.011 0.000 2.024 73 A HA -0.255 4.064 4.320 -0.001 0.000 0.220 73 A C 1.835 179.238 177.584 -0.301 0.000 1.164 73 A CA 2.130 54.075 52.037 -0.154 0.000 0.643 73 A CB -0.879 17.980 19.000 -0.235 0.000 0.806 73 A HN 0.729 nan 8.150 nan 0.000 0.451 74 H N -3.394 115.558 119.070 -0.198 0.000 2.654 74 H HA 0.274 4.830 4.556 -0.000 0.000 0.264 74 H C 0.203 175.473 175.328 -0.097 0.000 0.954 74 H CA -0.346 55.588 56.048 -0.189 0.000 1.199 74 H CB -0.001 29.585 29.762 -0.292 0.000 1.446 74 H HN 0.447 nan 8.280 nan 0.000 0.516 75 F N 2.433 122.355 119.950 -0.047 0.000 2.612 75 F HA 0.054 4.581 4.527 -0.001 0.000 0.389 75 F C -0.122 175.646 175.800 -0.053 0.000 1.055 75 F CA -0.105 57.855 58.000 -0.066 0.000 1.232 75 F CB 0.131 39.070 39.000 -0.103 0.000 1.044 75 F HN -0.016 nan 8.300 nan 0.000 0.560 76 I N 9.890 129.865 120.570 -0.990 0.000 2.371 76 I HA 0.179 4.349 4.170 -0.001 0.000 0.282 76 I C -1.373 174.140 176.117 -1.006 0.000 1.031 76 I CA -1.876 58.999 61.300 -0.708 0.000 1.180 76 I CB 1.366 39.126 38.000 -0.399 0.000 1.336 76 I HN 0.497 nan 8.210 nan 0.000 0.467 77 P HA -0.261 nan 4.420 nan 0.000 0.218 77 P C 0.490 177.707 177.300 -0.138 0.000 1.165 77 P CA 1.705 64.700 63.100 -0.175 0.000 0.922 77 P CB -0.056 31.686 31.700 0.071 0.000 0.794 78 E N 1.453 121.572 120.200 -0.134 0.000 2.515 78 E HA 0.148 4.497 4.350 -0.001 0.000 0.315 78 E C 0.122 176.640 176.600 -0.137 0.000 1.523 78 E CA 0.020 56.365 56.400 -0.091 0.000 1.704 78 E CB -0.449 29.213 29.700 -0.064 0.000 1.395 78 E HN 0.324 nan 8.360 nan 0.000 0.490 79 K N 1.194 121.487 120.400 -0.179 0.000 2.600 79 K HA 0.280 4.599 4.320 -0.001 0.000 0.262 79 K C -3.070 173.392 176.600 -0.230 0.000 0.935 79 K CA -1.591 54.570 56.287 -0.210 0.000 0.866 79 K CB 1.662 34.018 32.500 -0.241 0.000 1.354 79 K HN -0.128 nan 8.250 nan 0.000 0.419 80 P HA -0.033 nan 4.420 nan 0.000 0.264 80 P C 0.428 177.534 177.300 -0.323 0.000 1.173 80 P CA 0.398 63.212 63.100 -0.476 0.000 0.761 80 P CB 0.438 31.429 31.700 -1.181 0.000 0.794 81 M N 2.114 121.671 119.600 -0.072 0.000 2.132 81 M HA -0.141 4.339 4.480 -0.001 0.000 0.263 81 M C 1.744 178.108 176.300 0.105 0.000 1.065 81 M CA 1.829 57.199 55.300 0.117 0.000 1.122 81 M CB -0.768 31.947 32.600 0.191 0.000 1.365 81 M HN 0.468 nan 8.290 nan 0.000 0.411 82 Y N 0.383 120.764 120.300 0.135 0.000 2.384 82 Y HA -0.074 4.475 4.550 -0.000 0.000 0.289 82 Y C 1.220 177.327 175.900 0.346 0.000 1.152 82 Y CA 0.734 58.971 58.100 0.228 0.000 1.258 82 Y CB -1.326 37.276 38.460 0.236 0.000 0.979 82 Y HN 0.277 nan 8.280 nan 0.000 0.549 83 E N 0.465 120.654 120.200 -0.018 0.000 2.403 83 E HA 0.030 4.380 4.350 -0.001 0.000 0.188 83 E C 0.548 177.219 176.600 0.120 0.000 1.056 83 E CA 0.072 56.537 56.400 0.110 0.000 0.892 83 E CB 0.012 29.598 29.700 -0.191 0.000 1.049 83 E HN 0.711 nan 8.360 nan 0.000 0.465 84 Q N -0.740 119.134 119.800 0.124 0.000 2.103 84 Q HA 0.160 4.500 4.340 -0.001 0.000 0.219 84 Q C 0.496 176.553 176.000 0.096 0.000 0.784 84 Q CA 0.076 55.928 55.803 0.080 0.000 1.014 84 Q CB 1.680 30.432 28.738 0.023 0.000 1.183 84 Q HN 0.319 nan 8.270 nan 0.000 0.469 85 G N 1.746 110.638 108.800 0.154 0.000 2.246 85 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.273 85 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.273 85 G C -0.413 174.530 174.900 0.071 0.000 1.055 85 G CA 0.003 45.167 45.100 0.107 0.000 0.851 85 G HN 0.106 nan 8.290 nan 0.000 0.500 86 L N -0.196 121.090 121.223 0.104 0.000 2.343 86 L HA 0.753 5.093 4.340 -0.001 0.000 0.275 86 L C 1.416 178.341 176.870 0.093 0.000 1.056 86 L CA -0.335 54.539 54.840 0.056 0.000 0.804 86 L CB 1.526 43.598 42.059 0.021 0.000 1.203 86 L HN 0.434 nan 8.230 nan 0.000 0.440 87 I N -1.734 118.885 120.570 0.083 0.000 4.620 87 I HA 0.197 4.367 4.170 -0.001 0.000 0.347 87 I C 0.401 176.638 176.117 0.199 0.000 1.302 87 I CA 0.193 61.619 61.300 0.209 0.000 1.277 87 I CB 0.290 38.454 38.000 0.273 0.000 1.566 87 I HN 0.418 nan 8.210 nan 0.000 0.547 88 L N 0.527 121.759 121.223 0.015 0.000 2.515 88 L HA 0.334 4.674 4.340 -0.001 0.000 0.202 88 L C 2.383 179.200 176.870 -0.089 0.000 1.056 88 L CA 0.408 55.214 54.840 -0.058 0.000 0.847 88 L CB -0.008 41.926 42.059 -0.208 0.000 1.131 88 L HN 0.106 nan 8.230 nan 0.000 0.484 89 I N 1.704 122.116 120.570 -0.264 0.000 2.264 89 I HA -0.190 3.979 4.170 -0.001 0.000 0.248 89 I C -0.364 175.502 176.117 -0.419 0.000 1.111 89 I CA 1.454 62.420 61.300 -0.556 0.000 1.382 89 I CB -1.452 35.972 38.000 -0.961 0.000 1.060 89 I HN 0.246 nan 8.210 nan 0.000 0.418 90 P HA -0.149 nan 4.420 nan 0.000 0.226 90 P C 1.078 178.255 177.300 -0.205 0.000 1.153 90 P CA 1.670 64.537 63.100 -0.387 0.000 0.777 90 P CB -0.130 31.239 31.700 -0.552 0.000 0.794 91 H N -0.573 118.455 119.070 -0.069 0.000 2.436 91 H HA 0.119 4.674 4.556 -0.001 0.000 0.294 91 H C 2.110 177.477 175.328 0.064 0.000 1.048 91 H CA 1.070 57.169 56.048 0.084 0.000 1.353 91 H CB -0.497 29.341 29.762 0.126 0.000 1.414 91 H HN 0.053 nan 8.280 nan 0.000 0.536 92 I N -0.417 120.267 120.570 0.190 0.000 2.277 92 I HA -0.158 4.012 4.170 -0.001 0.000 0.243 92 I C 2.588 178.840 176.117 0.224 0.000 1.094 92 I CA 0.812 62.299 61.300 0.311 0.000 1.393 92 I CB -0.350 37.899 38.000 0.415 0.000 1.078 92 I HN 0.248 nan 8.210 nan 0.000 0.417 93 A N 1.363 124.195 122.820 0.019 0.000 1.917 93 A HA -0.294 4.026 4.320 -0.001 0.000 0.219 93 A C 2.454 179.873 177.584 -0.275 0.000 1.182 93 A CA 2.877 54.719 52.037 -0.324 0.000 0.633 93 A CB -1.426 16.855 19.000 -1.199 0.000 0.819 93 A HN 0.561 nan 8.150 nan 0.000 0.448 94 T N -1.396 113.065 114.554 -0.155 0.000 2.803 94 T HA -0.070 4.280 4.350 -0.001 0.000 0.269 94 T C 1.454 176.198 174.700 0.073 0.000 1.052 94 T CA 1.440 63.610 62.100 0.118 0.000 1.136 94 T CB -0.580 68.358 68.868 0.117 0.000 0.864 94 T HN 0.312 nan 8.240 nan 0.000 0.467 95 L N 1.366 122.572 121.223 -0.029 0.000 2.675 95 L HA 0.310 4.650 4.340 -0.001 0.000 0.239 95 L C 1.413 178.085 176.870 -0.329 0.000 1.151 95 L CA 0.174 54.893 54.840 -0.202 0.000 0.905 95 L CB -1.077 40.793 42.059 -0.315 0.000 1.057 95 L HN 0.626 nan 8.230 nan 0.000 0.435 96 G N -0.378 108.364 108.800 -0.096 0.000 2.462 96 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.283 96 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.283 96 G C -0.842 173.998 174.900 -0.100 0.000 1.043 96 G CA -0.526 44.540 45.100 -0.056 0.000 1.300 96 G HN 0.252 nan 8.290 nan 0.000 0.518 97 W N 0.119 121.395 121.300 -0.040 0.000 2.934 97 W HA 0.535 5.195 4.660 -0.001 0.000 0.333 97 W C 0.820 177.140 176.519 -0.333 0.000 1.035 97 W CA -0.576 56.676 57.345 -0.155 0.000 1.256 97 W CB 1.241 30.594 29.460 -0.179 0.000 1.306 97 W HN 1.649 nan 8.180 nan 0.000 0.430 98 G N 1.220 109.991 108.800 -0.047 0.000 2.143 98 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.249 98 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.249 98 G C -0.405 174.501 174.900 0.010 0.000 0.981 98 G CA 0.403 45.379 45.100 -0.207 0.000 0.665 98 G HN 1.110 nan 8.290 nan 0.000 0.528 99 V N -3.142 116.830 119.914 0.097 0.000 3.141 99 V HA 1.099 5.219 4.120 -0.001 0.000 0.312 99 V C 0.540 176.764 176.094 0.217 0.000 1.157 99 V CA 0.264 62.673 62.300 0.182 0.000 1.041 99 V CB 1.786 33.731 31.823 0.203 0.000 1.071 99 V HN 1.496 nan 8.190 nan 0.000 0.441 100 G N -0.219 108.735 108.800 0.256 0.000 3.039 100 G HA2 0.660 4.620 3.960 -0.001 0.000 0.202 100 G HA3 0.660 4.620 3.960 -0.001 0.000 0.202 100 G C -3.202 171.858 174.900 0.268 0.000 1.151 100 G CA -1.261 43.973 45.100 0.223 0.000 0.836 100 G HN 0.678 nan 8.290 nan 0.000 0.598 101 P HA 0.164 nan 4.420 nan 0.000 0.259 101 P C 0.877 178.288 177.300 0.185 0.000 1.163 101 P CA 1.958 65.138 63.100 0.133 0.000 0.760 101 P CB 0.375 32.117 31.700 0.070 0.000 0.762 102 G N 3.398 112.325 108.800 0.212 0.000 2.212 102 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.267 102 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.267 102 G C 0.883 175.917 174.900 0.225 0.000 1.002 102 G CA 0.656 45.890 45.100 0.223 0.000 0.729 102 G HN 1.085 nan 8.290 nan 0.000 0.517 103 G N -1.587 107.420 108.800 0.345 0.000 2.137 103 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.237 103 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.237 103 G C 0.049 175.130 174.900 0.301 0.000 1.002 103 G CA 0.693 45.909 45.100 0.193 0.000 0.702 103 G HN 0.887 nan 8.290 nan 0.000 0.515 104 E N 0.200 120.547 120.200 0.245 0.000 2.344 104 E HA 0.324 4.673 4.350 -0.001 0.000 0.270 104 E C 0.563 177.295 176.600 0.220 0.000 1.021 104 E CA -0.228 56.290 56.400 0.196 0.000 0.887 104 E CB 1.354 31.141 29.700 0.145 0.000 0.997 104 E HN 0.120 nan 8.360 nan 0.000 0.429 105 V N 5.897 125.950 119.914 0.232 0.000 2.427 105 V HA -0.023 4.096 4.120 -0.001 0.000 0.268 105 V C 1.272 177.480 176.094 0.189 0.000 1.046 105 V CA -0.009 62.440 62.300 0.248 0.000 0.970 105 V CB 1.081 33.125 31.823 0.369 0.000 1.001 105 V HN 0.538 nan 8.190 nan 0.000 0.476 106 V N 3.592 123.593 119.914 0.144 0.000 2.403 106 V HA 0.125 4.244 4.120 -0.001 0.000 0.239 106 V C 0.588 176.730 176.094 0.080 0.000 1.041 106 V CA 0.808 63.169 62.300 0.101 0.000 1.051 106 V CB 0.046 31.919 31.823 0.083 0.000 0.704 106 V HN 0.908 nan 8.190 nan 0.000 0.472 107 D N -0.426 120.000 120.400 0.043 0.000 2.593 107 D HA 0.311 4.951 4.640 -0.001 0.000 0.251 107 D C 0.791 177.063 176.300 -0.047 0.000 1.140 107 D CA 0.249 54.262 54.000 0.021 0.000 0.855 107 D CB 1.863 42.672 40.800 0.014 0.000 1.267 107 D HN 0.264 nan 8.370 nan 0.000 0.532 108 T N 1.190 115.781 114.554 0.062 0.000 3.148 108 T HA -0.031 4.319 4.350 -0.001 0.000 0.253 108 T C 1.599 176.333 174.700 0.056 0.000 1.134 108 T CA -0.116 62.056 62.100 0.122 0.000 1.051 108 T CB -0.404 68.614 68.868 0.250 0.000 0.959 108 T HN 0.362 nan 8.240 nan 0.000 0.525 109 F N 3.614 123.490 119.950 -0.125 0.000 2.075 109 F HA 0.145 4.672 4.527 -0.000 0.000 0.297 109 F C -1.034 174.661 175.800 -0.174 0.000 1.113 109 F CA 0.461 58.413 58.000 -0.080 0.000 1.218 109 F CB -1.110 37.840 39.000 -0.083 0.000 0.984 109 F HN 0.159 nan 8.300 nan 0.000 0.472 110 P HA -0.194 nan 4.420 nan 0.000 0.217 110 P C 1.509 178.425 177.300 -0.640 0.000 1.148 110 P CA 1.629 64.293 63.100 -0.727 0.000 0.828 110 P CB -0.278 30.916 31.700 -0.845 0.000 0.783 111 F N -1.855 117.916 119.950 -0.297 0.000 2.084 111 F HA -0.075 4.452 4.527 -0.000 0.000 0.296 111 F C 2.236 177.886 175.800 -0.250 0.000 1.111 111 F CA 0.690 58.530 58.000 -0.265 0.000 1.224 111 F CB -1.832 37.032 39.000 -0.228 0.000 0.991 111 F HN -0.139 nan 8.300 nan 0.000 0.471 112 F N 0.789 120.648 119.950 -0.153 0.000 2.120 112 F HA -0.225 4.302 4.527 -0.001 0.000 0.300 112 F C 2.232 177.834 175.800 -0.330 0.000 1.095 112 F CA 1.254 59.128 58.000 -0.210 0.000 1.249 112 F CB -0.789 38.102 39.000 -0.181 0.000 0.995 112 F HN -0.190 nan 8.300 nan 0.000 0.480 113 V N -0.073 119.485 119.914 -0.593 0.000 2.214 113 V HA -0.351 3.769 4.120 -0.001 0.000 0.245 113 V C 2.451 178.255 176.094 -0.483 0.000 1.047 113 V CA 2.019 63.916 62.300 -0.671 0.000 0.998 113 V CB -1.095 30.264 31.823 -0.774 0.000 0.633 113 V HN 0.254 nan 8.190 nan 0.000 0.446 114 V N 0.877 120.538 119.914 -0.421 0.000 2.370 114 V HA -0.301 3.819 4.120 -0.001 0.000 0.252 114 V C 2.519 178.474 176.094 -0.230 0.000 1.068 114 V CA 2.368 64.504 62.300 -0.274 0.000 1.061 114 V CB -1.594 30.062 31.823 -0.278 0.000 0.656 114 V HN 0.667 nan 8.190 nan 0.000 0.455 115 G N 0.196 108.809 108.800 -0.310 0.000 2.414 115 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.215 115 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.215 115 G C 1.759 176.471 174.900 -0.314 0.000 1.188 115 G CA 1.471 46.383 45.100 -0.313 0.000 0.783 115 G HN 0.595 nan 8.290 nan 0.000 0.537 116 V N -0.496 119.138 119.914 -0.466 0.000 2.343 116 V HA -0.157 3.963 4.120 -0.001 0.000 0.247 116 V C 2.709 178.655 176.094 -0.247 0.000 1.051 116 V CA 1.904 63.950 62.300 -0.423 0.000 1.036 116 V CB -1.011 30.423 31.823 -0.649 0.000 0.654 116 V HN 0.150 nan 8.190 nan 0.000 0.451 117 V N 0.987 120.770 119.914 -0.218 0.000 2.231 117 V HA -0.338 3.782 4.120 -0.001 0.000 0.248 117 V C 2.588 178.635 176.094 -0.078 0.000 1.054 117 V CA 2.919 65.139 62.300 -0.132 0.000 1.015 117 V CB -1.273 30.480 31.823 -0.116 0.000 0.638 117 V HN 0.646 nan 8.190 nan 0.000 0.444 118 H N -0.808 118.173 119.070 -0.149 0.000 2.265 118 H HA -0.200 4.356 4.556 -0.001 0.000 0.295 118 H C 1.957 177.229 175.328 -0.092 0.000 1.084 118 H CA 2.161 58.150 56.048 -0.098 0.000 1.261 118 H CB -0.641 29.058 29.762 -0.104 0.000 1.360 118 H HN 0.264 nan 8.280 nan 0.000 0.487 119 L N 0.241 121.449 121.223 -0.025 0.000 2.103 119 L HA -0.211 4.129 4.340 -0.001 0.000 0.215 119 L C 1.782 178.631 176.870 -0.035 0.000 1.080 119 L CA 1.498 56.273 54.840 -0.108 0.000 0.764 119 L CB -0.594 41.342 42.059 -0.206 0.000 0.890 119 L HN 0.278 nan 8.230 nan 0.000 0.435 120 I N -1.066 119.475 120.570 -0.048 0.000 2.162 120 I HA -0.191 3.979 4.170 -0.001 0.000 0.238 120 I C 2.441 178.555 176.117 -0.004 0.000 1.076 120 I CA 1.503 62.785 61.300 -0.030 0.000 1.353 120 I CB -1.465 36.500 38.000 -0.059 0.000 1.063 120 I HN 0.232 nan 8.210 nan 0.000 0.408 121 S N 1.304 116.988 115.700 -0.027 0.000 2.440 121 S HA -0.186 4.284 4.470 -0.001 0.000 0.240 121 S C 2.089 176.714 174.600 0.040 0.000 1.014 121 S CA 1.518 59.708 58.200 -0.018 0.000 0.980 121 S CB -0.562 62.591 63.200 -0.079 0.000 0.775 121 S HN 0.657 nan 8.310 nan 0.000 0.499 122 S N 2.171 117.921 115.700 0.084 0.000 2.383 122 S HA 0.045 4.515 4.470 -0.001 0.000 0.227 122 S C 1.998 176.693 174.600 0.158 0.000 1.026 122 S CA 0.734 59.034 58.200 0.166 0.000 0.981 122 S CB -0.485 62.897 63.200 0.303 0.000 0.818 122 S HN 0.536 nan 8.310 nan 0.000 0.472 123 A N 1.558 124.456 122.820 0.129 0.000 1.897 123 A HA 0.138 4.458 4.320 -0.001 0.000 0.215 123 A C 2.413 180.059 177.584 0.104 0.000 1.181 123 A CA 1.474 53.577 52.037 0.111 0.000 0.620 123 A CB -1.112 17.928 19.000 0.066 0.000 0.821 123 A HN 0.455 nan 8.150 nan 0.000 0.443 124 V N 0.212 120.165 119.914 0.064 0.000 2.255 124 V HA -0.290 3.830 4.120 -0.001 0.000 0.247 124 V C 2.582 178.766 176.094 0.150 0.000 1.051 124 V CA 2.102 64.442 62.300 0.066 0.000 1.018 124 V CB -0.938 30.901 31.823 0.026 0.000 0.641 124 V HN 0.559 nan 8.190 nan 0.000 0.445 125 L N 0.406 121.704 121.223 0.125 0.000 1.989 125 L HA -0.126 4.214 4.340 -0.001 0.000 0.211 125 L C 2.717 179.684 176.870 0.161 0.000 1.071 125 L CA 1.936 56.859 54.840 0.139 0.000 0.749 125 L CB -1.256 40.872 42.059 0.115 0.000 0.890 125 L HN 0.492 nan 8.230 nan 0.000 0.431 126 G N -0.621 108.268 108.800 0.148 0.000 2.469 126 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.220 126 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.220 126 G C 1.427 176.430 174.900 0.171 0.000 1.136 126 G CA 0.823 45.999 45.100 0.128 0.000 0.759 126 G HN 0.239 nan 8.290 nan 0.000 0.562 127 F N 2.212 122.189 119.950 0.045 0.000 2.026 127 F HA -0.008 4.518 4.527 -0.001 0.000 0.296 127 F C 2.733 178.580 175.800 0.077 0.000 1.133 127 F CA 1.857 59.883 58.000 0.043 0.000 1.188 127 F CB -0.810 38.201 39.000 0.018 0.000 0.968 127 F HN 0.129 nan 8.300 nan 0.000 0.476 128 G N -0.598 108.322 108.800 0.200 0.000 2.505 128 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.220 128 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.220 128 G C 1.908 176.878 174.900 0.118 0.000 1.145 128 G CA 0.992 46.173 45.100 0.134 0.000 0.761 128 G HN 0.712 nan 8.290 nan 0.000 0.571 129 G N 0.563 109.435 108.800 0.121 0.000 2.552 129 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.216 129 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.216 129 G C 1.816 176.731 174.900 0.026 0.000 1.240 129 G CA 1.733 46.892 45.100 0.099 0.000 0.796 129 G HN 0.346 nan 8.290 nan 0.000 0.568 130 V N 0.460 120.368 119.914 -0.011 0.000 2.278 130 V HA -0.300 3.820 4.120 -0.001 0.000 0.251 130 V C 2.335 178.363 176.094 -0.111 0.000 1.062 130 V CA 2.239 64.505 62.300 -0.057 0.000 1.038 130 V CB -0.915 30.870 31.823 -0.063 0.000 0.646 130 V HN 0.510 nan 8.190 nan 0.000 0.447 131 Y N 1.066 121.194 120.300 -0.286 0.000 2.049 131 Y HA -0.294 4.255 4.550 -0.000 0.000 0.277 131 Y C 2.720 178.497 175.900 -0.206 0.000 1.143 131 Y CA 2.171 60.061 58.100 -0.349 0.000 1.115 131 Y CB -0.962 37.166 38.460 -0.552 0.000 0.975 131 Y HN 0.332 nan 8.280 nan 0.000 0.487 132 H N -0.216 118.470 119.070 -0.640 0.000 2.518 132 H HA -0.014 4.542 4.556 -0.000 0.000 0.292 132 H C 1.962 177.087 175.328 -0.337 0.000 1.068 132 H CA 1.092 56.789 56.048 -0.586 0.000 1.275 132 H CB -0.400 29.219 29.762 -0.239 0.000 1.375 132 H HN 0.530 nan 8.280 nan 0.000 0.563 133 A N 0.218 122.963 122.820 -0.124 0.000 2.252 133 A HA 0.180 4.500 4.320 -0.001 0.000 0.213 133 A C 1.929 179.460 177.584 -0.088 0.000 1.188 133 A CA 0.335 52.330 52.037 -0.070 0.000 0.863 133 A CB 0.135 19.122 19.000 -0.022 0.000 0.893 133 A HN 0.441 nan 8.150 nan 0.000 0.495 134 I N -6.823 113.667 120.570 -0.134 0.000 4.670 134 I HA 0.426 4.596 4.170 -0.001 0.000 0.339 134 I C 1.294 177.354 176.117 -0.096 0.000 1.310 134 I CA -0.097 61.148 61.300 -0.092 0.000 1.288 134 I CB 0.451 38.416 38.000 -0.059 0.000 1.427 134 I HN 0.042 nan 8.210 nan 0.000 0.494 135 R N 2.354 122.753 120.500 -0.168 0.000 3.007 135 R HA 0.400 4.739 4.340 -0.001 0.000 0.162 135 R C 1.257 177.474 176.300 -0.138 0.000 1.083 135 R CA 1.083 57.132 56.100 -0.085 0.000 1.093 135 R CB -0.444 29.903 30.300 0.078 0.000 1.305 135 R HN 0.288 nan 8.270 nan 0.000 0.511 136 G N 2.915 111.433 108.800 -0.470 0.000 2.846 136 G HA2 0.012 3.972 3.960 -0.001 0.000 0.257 136 G HA3 0.012 3.972 3.960 -0.001 0.000 0.257 136 G C -2.039 172.780 174.900 -0.135 0.000 1.253 136 G CA -0.471 44.423 45.100 -0.342 0.000 0.918 136 G HN 0.279 nan 8.290 nan 0.000 0.597 137 P HA 0.013 nan 4.420 nan 0.000 0.262 137 P C 0.207 177.482 177.300 -0.042 0.000 1.182 137 P CA 0.310 63.401 63.100 -0.014 0.000 0.761 137 P CB 1.043 32.754 31.700 0.019 0.000 0.795 138 E N 1.352 121.529 120.200 -0.039 0.000 2.358 138 E HA -0.048 4.301 4.350 -0.001 0.000 0.195 138 E C 0.277 176.848 176.600 -0.048 0.000 1.010 138 E CA 0.486 56.861 56.400 -0.041 0.000 0.856 138 E CB 0.395 30.076 29.700 -0.031 0.000 0.795 138 E HN 0.473 nan 8.360 nan 0.000 0.504 139 T N -1.491 113.031 114.554 -0.053 0.000 2.883 139 T HA 0.390 4.740 4.350 -0.001 0.000 0.296 139 T C 0.330 174.988 174.700 -0.071 0.000 1.117 139 T CA -0.794 61.258 62.100 -0.080 0.000 1.006 139 T CB 1.399 70.220 68.868 -0.077 0.000 1.191 139 T HN 0.061 nan 8.240 nan 0.000 0.508 140 L N 1.101 122.263 121.223 -0.103 0.000 2.526 140 L HA 0.229 4.568 4.340 -0.001 0.000 0.210 140 L C 2.309 179.164 176.870 -0.025 0.000 1.048 140 L CA 0.203 55.016 54.840 -0.047 0.000 0.852 140 L CB -0.400 41.640 42.059 -0.031 0.000 1.128 140 L HN 0.598 nan 8.230 nan 0.000 0.482 141 E N 0.827 120.975 120.200 -0.086 0.000 2.245 141 E HA -0.351 3.999 4.350 -0.001 0.000 0.217 141 E C 1.782 178.375 176.600 -0.012 0.000 1.069 141 E CA 2.262 58.624 56.400 -0.063 0.000 0.877 141 E CB -0.158 29.480 29.700 -0.103 0.000 0.757 141 E HN 0.488 nan 8.360 nan 0.000 0.464 142 E N -1.491 118.704 120.200 -0.008 0.000 2.102 142 E HA -0.094 4.255 4.350 -0.001 0.000 0.190 142 E C 1.962 178.585 176.600 0.038 0.000 0.971 142 E CA 0.713 57.120 56.400 0.011 0.000 0.821 142 E CB -0.102 29.598 29.700 0.001 0.000 0.777 142 E HN 0.517 nan 8.360 nan 0.000 0.460 143 Y N 0.227 120.555 120.300 0.046 0.000 2.584 143 Y HA 0.280 4.830 4.550 -0.001 0.000 0.317 143 Y C 0.542 176.516 175.900 0.122 0.000 1.208 143 Y CA 0.817 58.961 58.100 0.073 0.000 1.299 143 Y CB -0.218 38.284 38.460 0.069 0.000 1.047 143 Y HN 0.070 nan 8.280 nan 0.000 0.506 144 S N -1.462 114.317 115.700 0.132 0.000 2.885 144 S HA 0.092 4.562 4.470 -0.001 0.000 0.297 144 S C 0.477 175.181 174.600 0.174 0.000 0.528 144 S CA 0.086 58.407 58.200 0.202 0.000 0.597 144 S CB -0.294 63.132 63.200 0.376 0.000 0.841 144 S HN 0.883 nan 8.310 nan 0.000 0.641 145 S N 3.327 119.101 115.700 0.122 0.000 2.481 145 S HA 0.033 4.503 4.470 -0.001 0.000 0.231 145 S C 1.417 176.072 174.600 0.092 0.000 0.996 145 S CA 1.287 59.535 58.200 0.079 0.000 0.942 145 S CB -0.377 62.855 63.200 0.053 0.000 0.768 145 S HN 0.751 nan 8.310 nan 0.000 0.520 146 F N 1.252 121.149 119.950 -0.088 0.000 2.163 146 F HA 0.116 4.642 4.527 -0.000 0.000 0.297 146 F C 1.250 176.844 175.800 -0.344 0.000 1.094 146 F CA 1.196 59.034 58.000 -0.270 0.000 1.290 146 F CB -0.507 38.203 39.000 -0.483 0.000 1.017 146 F HN 0.276 nan 8.300 nan 0.000 0.483 147 F N 0.575 120.469 119.950 -0.094 0.000 2.262 147 F HA 0.279 4.806 4.527 -0.001 0.000 0.292 147 F C 2.028 177.795 175.800 -0.055 0.000 1.081 147 F CA 0.418 58.304 58.000 -0.190 0.000 1.355 147 F CB -1.410 37.547 39.000 -0.071 0.000 1.069 147 F HN -0.088 nan 8.300 nan 0.000 0.506 148 G N -0.360 108.513 108.800 0.122 0.000 2.562 148 G HA2 0.234 4.193 3.960 -0.001 0.000 0.233 148 G HA3 0.234 4.193 3.960 -0.001 0.000 0.233 148 G C -1.170 173.714 174.900 -0.027 0.000 1.266 148 G CA 0.137 45.223 45.100 -0.023 0.000 0.852 148 G HN 0.379 nan 8.290 nan 0.000 0.581 149 Y N -1.639 118.541 120.300 -0.200 0.000 2.638 149 Y HA 0.661 5.211 4.550 -0.001 0.000 0.335 149 Y C -1.197 174.530 175.900 -0.288 0.000 1.155 149 Y CA -1.830 56.119 58.100 -0.251 0.000 1.046 149 Y CB 1.743 40.004 38.460 -0.332 0.000 1.303 149 Y HN 0.431 nan 8.280 nan 0.000 0.460 150 D N 1.174 121.537 120.400 -0.063 0.000 2.481 150 D HA 0.153 4.793 4.640 -0.001 0.000 0.246 150 D C -0.190 176.193 176.300 0.137 0.000 1.109 150 D CA -0.549 53.414 54.000 -0.061 0.000 0.845 150 D CB 0.913 41.707 40.800 -0.011 0.000 1.160 150 D HN 0.856 nan 8.370 nan 0.000 0.534 151 W N 3.273 124.735 121.300 0.270 0.000 2.290 151 W HA -0.207 4.452 4.660 -0.000 0.000 0.323 151 W C 2.053 178.809 176.519 0.394 0.000 1.260 151 W CA 0.579 58.153 57.345 0.381 0.000 1.266 151 W CB 0.070 29.732 29.460 0.335 0.000 1.149 151 W HN 0.337 nan 8.180 nan 0.000 0.482 152 K N -0.080 120.617 120.400 0.495 0.000 2.555 152 K HA -0.099 4.221 4.320 -0.001 0.000 0.193 152 K C 0.331 177.038 176.600 0.179 0.000 1.032 152 K CA 0.455 56.955 56.287 0.355 0.000 1.004 152 K CB -0.299 32.336 32.500 0.224 0.000 0.804 152 K HN -0.064 nan 8.250 nan 0.000 0.496 153 D N 2.266 122.758 120.400 0.155 0.000 2.545 153 D HA 0.006 4.646 4.640 -0.001 0.000 0.227 153 D C 0.409 176.710 176.300 0.002 0.000 1.150 153 D CA 0.189 54.214 54.000 0.040 0.000 1.046 153 D CB 0.199 41.014 40.800 0.026 0.000 1.098 153 D HN 0.020 nan 8.370 nan 0.000 0.502 154 K N 1.221 121.574 120.400 -0.077 0.000 2.259 154 K HA -0.238 4.081 4.320 -0.001 0.000 0.206 154 K C 1.293 177.831 176.600 -0.102 0.000 1.044 154 K CA 1.371 57.565 56.287 -0.155 0.000 0.931 154 K CB 0.075 32.326 32.500 -0.416 0.000 0.726 154 K HN 0.478 nan 8.250 nan 0.000 0.467 155 N N 0.202 118.844 118.700 -0.098 0.000 2.278 155 N HA -0.058 4.682 4.740 -0.001 0.000 0.181 155 N C 1.659 177.100 175.510 -0.114 0.000 1.023 155 N CA 0.383 53.374 53.050 -0.099 0.000 0.862 155 N CB 0.099 38.530 38.487 -0.093 0.000 1.003 155 N HN 0.077 nan 8.380 nan 0.000 0.431 156 K N 0.494 120.837 120.400 -0.095 0.000 2.063 156 K HA -0.104 4.216 4.320 -0.001 0.000 0.208 156 K C 1.947 178.444 176.600 -0.171 0.000 1.048 156 K CA 1.186 57.403 56.287 -0.118 0.000 0.928 156 K CB 0.058 32.520 32.500 -0.064 0.000 0.713 156 K HN 0.123 nan 8.250 nan 0.000 0.442 157 M N -0.087 119.432 119.600 -0.134 0.000 2.084 157 M HA -0.180 4.300 4.480 -0.001 0.000 0.259 157 M C 2.466 178.634 176.300 -0.220 0.000 1.072 157 M CA 1.848 57.039 55.300 -0.180 0.000 1.107 157 M CB -1.561 30.943 32.600 -0.159 0.000 1.299 157 M HN 0.167 nan 8.290 nan 0.000 0.413 158 T N 0.164 114.615 114.554 -0.172 0.000 2.822 158 T HA -0.144 4.206 4.350 -0.001 0.000 0.270 158 T C 1.607 176.177 174.700 -0.216 0.000 1.064 158 T CA 2.137 64.126 62.100 -0.185 0.000 1.131 158 T CB -0.118 68.720 68.868 -0.049 0.000 0.858 158 T HN 0.461 nan 8.240 nan 0.000 0.483 159 T N 1.382 115.763 114.554 -0.288 0.000 2.814 159 T HA 0.191 4.541 4.350 -0.001 0.000 0.254 159 T C 1.890 176.100 174.700 -0.818 0.000 1.037 159 T CA 1.061 62.859 62.100 -0.504 0.000 1.143 159 T CB -0.225 68.357 68.868 -0.476 0.000 0.866 159 T HN 0.390 nan 8.240 nan 0.000 0.431 160 I N 1.461 121.684 120.570 -0.579 0.000 2.208 160 I HA -0.162 4.007 4.170 -0.001 0.000 0.245 160 I C 2.414 178.252 176.117 -0.464 0.000 1.097 160 I CA 0.976 62.005 61.300 -0.451 0.000 1.363 160 I CB -0.540 37.264 38.000 -0.327 0.000 1.051 160 I HN 0.158 nan 8.210 nan 0.000 0.413 161 L N 1.555 122.585 121.223 -0.322 0.000 2.042 161 L HA -0.118 4.222 4.340 -0.001 0.000 0.210 161 L C 2.314 179.118 176.870 -0.110 0.000 1.076 161 L CA 2.358 57.091 54.840 -0.179 0.000 0.749 161 L CB -1.245 40.669 42.059 -0.240 0.000 0.893 161 L HN 0.177 nan 8.230 nan 0.000 0.432 162 G N -1.193 107.499 108.800 -0.180 0.000 2.422 162 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.218 162 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.218 162 G C 1.309 176.214 174.900 0.009 0.000 1.146 162 G CA 0.900 45.973 45.100 -0.046 0.000 0.769 162 G HN 0.423 nan 8.290 nan 0.000 0.547 163 F N 0.861 120.774 119.950 -0.062 0.000 2.075 163 F HA 0.036 4.563 4.527 -0.000 0.000 0.297 163 F C 2.623 178.458 175.800 0.058 0.000 1.113 163 F CA 1.232 59.205 58.000 -0.045 0.000 1.218 163 F CB -1.262 37.636 39.000 -0.170 0.000 0.984 163 F HN 0.282 nan 8.300 nan 0.000 0.472 164 H N -0.749 118.470 119.070 0.249 0.000 2.387 164 H HA -0.121 4.434 4.556 -0.001 0.000 0.299 164 H C 2.221 177.628 175.328 0.131 0.000 1.090 164 H CA 0.846 56.985 56.048 0.152 0.000 1.332 164 H CB -0.322 29.501 29.762 0.101 0.000 1.386 164 H HN 0.171 nan 8.280 nan 0.000 0.516 165 L N 0.377 121.745 121.223 0.241 0.000 2.353 165 L HA -0.153 4.186 4.340 -0.001 0.000 0.220 165 L C 1.784 178.761 176.870 0.179 0.000 1.133 165 L CA 0.795 55.749 54.840 0.191 0.000 0.798 165 L CB -0.016 42.160 42.059 0.193 0.000 0.922 165 L HN 0.359 nan 8.230 nan 0.000 0.445 166 I N -2.611 118.076 120.570 0.195 0.000 2.628 166 I HA -0.138 4.032 4.170 -0.001 0.000 0.255 166 I C 2.253 178.465 176.117 0.158 0.000 1.119 166 I CA 0.234 61.637 61.300 0.172 0.000 1.448 166 I CB -0.099 38.014 38.000 0.189 0.000 1.133 166 I HN -0.125 nan 8.210 nan 0.000 0.438 167 V N 1.523 121.546 119.914 0.181 0.000 2.332 167 V HA -0.282 3.837 4.120 -0.001 0.000 0.248 167 V C 2.426 178.595 176.094 0.125 0.000 1.055 167 V CA 1.870 64.261 62.300 0.151 0.000 1.038 167 V CB -0.398 31.530 31.823 0.175 0.000 0.651 167 V HN 0.364 nan 8.190 nan 0.000 0.450 168 L N -0.136 121.168 121.223 0.134 0.000 2.093 168 L HA -0.048 4.292 4.340 -0.001 0.000 0.208 168 L C 2.564 179.502 176.870 0.114 0.000 1.085 168 L CA 1.513 56.422 54.840 0.115 0.000 0.755 168 L CB -0.956 41.174 42.059 0.117 0.000 0.904 168 L HN 0.473 nan 8.230 nan 0.000 0.435 169 G N 0.335 109.207 108.800 0.120 0.000 2.402 169 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.216 169 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.216 169 G C 1.551 176.512 174.900 0.101 0.000 1.162 169 G CA 0.571 45.739 45.100 0.114 0.000 0.777 169 G HN 0.290 nan 8.290 nan 0.000 0.539 170 I N 1.352 121.979 120.570 0.096 0.000 2.179 170 I HA -0.095 4.075 4.170 -0.001 0.000 0.242 170 I C 3.115 179.274 176.117 0.071 0.000 1.088 170 I CA 1.006 62.354 61.300 0.081 0.000 1.357 170 I CB -0.714 37.333 38.000 0.077 0.000 1.051 170 I HN 0.221 nan 8.210 nan 0.000 0.409 171 G N 0.915 109.761 108.800 0.075 0.000 2.476 171 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.218 171 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.218 171 G C 1.871 176.810 174.900 0.065 0.000 1.164 171 G CA 1.009 46.148 45.100 0.065 0.000 0.768 171 G HN 0.513 nan 8.290 nan 0.000 0.560 172 A N 0.238 123.117 122.820 0.099 0.000 2.024 172 A HA 0.078 4.397 4.320 -0.001 0.000 0.220 172 A C 2.392 180.032 177.584 0.094 0.000 1.164 172 A CA 1.399 53.523 52.037 0.143 0.000 0.643 172 A CB -0.287 18.822 19.000 0.181 0.000 0.806 172 A HN 0.403 nan 8.150 nan 0.000 0.451 173 L N -1.236 120.029 121.223 0.070 0.000 2.307 173 L HA 0.078 4.418 4.340 -0.001 0.000 0.211 173 L C 2.319 179.200 176.870 0.018 0.000 1.099 173 L CA 0.241 55.112 54.840 0.052 0.000 0.816 173 L CB -0.325 41.774 42.059 0.067 0.000 0.952 173 L HN 0.372 nan 8.230 nan 0.000 0.455 174 L N 0.088 121.315 121.223 0.008 0.000 2.265 174 L HA -0.219 4.120 4.340 -0.001 0.000 0.215 174 L C 2.362 179.187 176.870 -0.075 0.000 1.117 174 L CA 0.984 55.807 54.840 -0.029 0.000 0.782 174 L CB 0.120 42.170 42.059 -0.015 0.000 0.914 174 L HN 0.313 nan 8.230 nan 0.000 0.441 175 L N -1.261 119.909 121.223 -0.089 0.000 2.084 175 L HA -0.061 4.278 4.340 -0.001 0.000 0.202 175 L C 2.296 179.068 176.870 -0.164 0.000 1.074 175 L CA 1.396 56.136 54.840 -0.166 0.000 0.757 175 L CB -0.440 41.449 42.059 -0.283 0.000 0.918 175 L HN -0.081 nan 8.230 nan 0.000 0.444 176 V N 0.848 120.690 119.914 -0.121 0.000 2.439 176 V HA -0.348 3.771 4.120 -0.001 0.000 0.253 176 V C 2.789 178.772 176.094 -0.185 0.000 1.074 176 V CA 1.722 63.950 62.300 -0.119 0.000 1.076 176 V CB -1.780 30.016 31.823 -0.046 0.000 0.664 176 V HN 0.618 nan 8.190 nan 0.000 0.461 177 A N 0.343 123.105 122.820 -0.096 0.000 1.854 177 A HA -0.190 4.129 4.320 -0.001 0.000 0.214 177 A C 2.238 179.837 177.584 0.026 0.000 1.192 177 A CA 1.917 53.956 52.037 0.003 0.000 0.611 177 A CB -0.530 18.556 19.000 0.143 0.000 0.832 177 A HN 0.459 nan 8.150 nan 0.000 0.442 178 K N 0.500 120.863 120.400 -0.061 0.000 2.113 178 K HA -0.102 4.218 4.320 -0.001 0.000 0.208 178 K C 1.829 178.379 176.600 -0.083 0.000 1.047 178 K CA 1.998 58.246 56.287 -0.065 0.000 0.928 178 K CB -0.552 31.807 32.500 -0.234 0.000 0.716 178 K HN 0.351 nan 8.250 nan 0.000 0.446 179 A N -0.006 122.720 122.820 -0.156 0.000 1.898 179 A HA 0.007 4.327 4.320 -0.001 0.000 0.214 179 A C 2.143 179.613 177.584 -0.191 0.000 1.183 179 A CA 1.553 53.490 52.037 -0.166 0.000 0.622 179 A CB -0.308 18.591 19.000 -0.167 0.000 0.824 179 A HN 0.373 nan 8.150 nan 0.000 0.444 180 M N -2.176 117.212 119.600 -0.354 0.000 2.394 180 M HA 0.144 4.623 4.480 -0.001 0.000 0.266 180 M C 1.306 177.335 176.300 -0.452 0.000 1.098 180 M CA 1.041 56.025 55.300 -0.527 0.000 1.149 180 M CB -0.008 32.039 32.600 -0.921 0.000 1.369 180 M HN 0.448 nan 8.290 nan 0.000 0.450 181 F N -1.478 118.528 119.950 0.094 0.000 2.532 181 F HA 0.241 4.768 4.527 -0.000 0.000 0.278 181 F C 1.569 177.347 175.800 -0.037 0.000 0.975 181 F CA -0.230 57.791 58.000 0.036 0.000 1.292 181 F CB -0.892 38.157 39.000 0.081 0.000 1.112 181 F HN -0.137 nan 8.300 nan 0.000 0.703 182 F N 0.249 120.282 119.950 0.138 0.000 2.802 182 F HA 0.328 4.855 4.527 -0.000 0.000 0.300 182 F C 1.779 177.583 175.800 0.007 0.000 1.168 182 F CA 0.992 59.038 58.000 0.078 0.000 1.433 182 F CB -0.181 38.867 39.000 0.080 0.000 1.115 182 F HN 0.218 nan 8.300 nan 0.000 0.582 183 G N -1.312 107.536 108.800 0.080 0.000 3.819 183 G HA2 0.315 4.275 3.960 -0.001 0.000 0.210 183 G HA3 0.315 4.275 3.960 -0.001 0.000 0.210 183 G C 0.481 175.354 174.900 -0.045 0.000 1.018 183 G CA -0.128 44.975 45.100 0.007 0.000 0.882 183 G HN 0.777 nan 8.290 nan 0.000 0.377 184 G N -0.675 108.072 108.800 -0.088 0.000 2.342 184 G HA2 0.392 4.352 3.960 -0.001 0.000 0.220 184 G HA3 0.392 4.352 3.960 -0.001 0.000 0.220 184 G C -1.070 173.753 174.900 -0.130 0.000 1.243 184 G CA -0.218 44.825 45.100 -0.094 0.000 1.083 184 G HN 1.202 nan 8.290 nan 0.000 0.500 185 L N -1.426 119.752 121.223 -0.076 0.000 2.491 185 L HA 0.570 4.909 4.340 -0.001 0.000 0.254 185 L C -0.938 175.965 176.870 0.055 0.000 1.048 185 L CA -1.075 53.743 54.840 -0.037 0.000 0.855 185 L CB 2.240 44.275 42.059 -0.039 0.000 1.466 185 L HN 0.719 nan 8.230 nan 0.000 0.409 186 Y N 1.480 121.818 120.300 0.062 0.000 2.486 186 Y HA 0.224 4.774 4.550 -0.001 0.000 0.348 186 Y C -0.341 175.636 175.900 0.129 0.000 1.000 186 Y CA -0.231 57.961 58.100 0.153 0.000 1.253 186 Y CB 0.619 39.295 38.460 0.359 0.000 1.140 186 Y HN 0.459 nan 8.280 nan 0.000 0.526 187 D N 3.875 124.058 120.400 -0.362 0.000 2.392 187 D HA 0.104 4.744 4.640 -0.001 0.000 0.228 187 D C 0.913 176.986 176.300 -0.378 0.000 1.074 187 D CA -0.168 53.729 54.000 -0.172 0.000 0.838 187 D CB 1.227 41.988 40.800 -0.066 0.000 1.067 187 D HN 0.655 nan 8.370 nan 0.000 0.511 188 T N 0.547 115.005 114.554 -0.160 0.000 3.023 188 T HA -0.075 4.275 4.350 -0.001 0.000 0.266 188 T C 1.342 175.944 174.700 -0.163 0.000 1.093 188 T CA 0.358 62.373 62.100 -0.142 0.000 1.129 188 T CB -0.351 68.445 68.868 -0.120 0.000 0.899 188 T HN 0.536 nan 8.240 nan 0.000 0.491 189 W N 2.235 123.534 121.300 -0.002 0.000 3.180 189 W HA 0.637 5.297 4.660 -0.001 0.000 0.254 189 W C 1.297 177.797 176.519 -0.032 0.000 1.318 189 W CA -0.679 56.668 57.345 0.003 0.000 1.608 189 W CB -0.307 29.154 29.460 0.001 0.000 1.124 189 W HN 0.281 nan 8.180 nan 0.000 0.694 190 A N 1.836 124.712 122.820 0.093 0.000 2.608 190 A HA -0.128 4.192 4.320 -0.001 0.000 0.246 190 A C -1.193 176.413 177.584 0.037 0.000 0.998 190 A CA -0.300 51.744 52.037 0.011 0.000 0.796 190 A CB -0.100 18.841 19.000 -0.097 0.000 0.895 190 A HN 0.110 nan 8.150 nan 0.000 0.508 191 P HA -0.173 nan 4.420 nan 0.000 0.215 191 P C 1.533 178.834 177.300 0.003 0.000 1.163 191 P CA 2.088 65.206 63.100 0.030 0.000 0.894 191 P CB 0.071 31.781 31.700 0.016 0.000 0.791 192 G N -1.983 106.803 108.800 -0.023 0.000 2.956 192 G HA2 0.362 4.322 3.960 -0.001 0.000 0.207 192 G HA3 0.362 4.322 3.960 -0.001 0.000 0.207 192 G C 0.405 175.245 174.900 -0.099 0.000 1.162 192 G CA 0.365 45.434 45.100 -0.052 0.000 0.796 192 G HN 0.596 nan 8.290 nan 0.000 0.527 193 G N -1.318 107.430 108.800 -0.087 0.000 3.067 193 G HA2 0.447 4.407 3.960 -0.001 0.000 0.686 193 G HA3 0.447 4.407 3.960 -0.001 0.000 0.686 193 G C 0.423 175.267 174.900 -0.093 0.000 1.119 193 G CA -0.411 44.611 45.100 -0.130 0.000 0.790 193 G HN 1.398 nan 8.290 nan 0.000 0.605 194 G N 0.694 109.450 108.800 -0.073 0.000 2.909 194 G HA2 0.415 4.374 3.960 -0.001 0.000 0.290 194 G HA3 0.415 4.374 3.960 -0.001 0.000 0.290 194 G C 0.150 174.938 174.900 -0.187 0.000 0.323 194 G CA 1.785 46.809 45.100 -0.128 0.000 1.187 194 G HN 1.916 nan 8.290 nan 0.000 0.193 195 D N 0.110 120.204 120.400 -0.511 0.000 2.783 195 D HA 0.199 4.839 4.640 -0.001 0.000 0.253 195 D C -0.395 175.700 176.300 -0.341 0.000 1.206 195 D CA -0.599 53.235 54.000 -0.276 0.000 0.740 195 D CB 0.849 41.592 40.800 -0.094 0.000 1.313 195 D HN 0.464 nan 8.370 nan 0.000 0.427 196 V N 2.685 122.555 119.914 -0.074 0.000 2.485 196 V HA 0.320 4.439 4.120 -0.001 0.000 0.287 196 V C 0.620 176.685 176.094 -0.049 0.000 1.022 196 V CA 0.462 62.752 62.300 -0.016 0.000 1.067 196 V CB 0.504 32.372 31.823 0.076 0.000 0.967 196 V HN 0.412 nan 8.190 nan 0.000 0.479 197 R N 3.344 123.807 120.500 -0.062 0.000 2.686 197 R HA 0.601 4.941 4.340 -0.001 0.000 0.283 197 R C -1.501 174.774 176.300 -0.042 0.000 0.978 197 R CA -0.719 55.352 56.100 -0.048 0.000 0.897 197 R CB 2.296 32.564 30.300 -0.054 0.000 1.192 197 R HN 0.508 nan 8.270 nan 0.000 0.457 198 V N 5.674 125.568 119.914 -0.034 0.000 2.408 198 V HA 0.198 4.317 4.120 -0.001 0.000 0.267 198 V C 0.157 176.224 176.094 -0.045 0.000 1.047 198 V CA -0.438 61.837 62.300 -0.041 0.000 0.937 198 V CB 0.903 32.712 31.823 -0.024 0.000 0.999 198 V HN 0.542 nan 8.190 nan 0.000 0.472 199 I N 5.447 125.978 120.570 -0.065 0.000 2.379 199 I HA 0.215 4.385 4.170 -0.001 0.000 0.290 199 I C 1.061 177.134 176.117 -0.073 0.000 1.063 199 I CA 0.681 61.944 61.300 -0.061 0.000 1.351 199 I CB 1.224 39.184 38.000 -0.065 0.000 1.410 199 I HN 0.761 nan 8.210 nan 0.000 0.505 200 T N 1.448 115.977 114.554 -0.041 0.000 3.516 200 T HA 0.401 4.751 4.350 -0.001 0.000 0.245 200 T C 0.193 174.886 174.700 -0.010 0.000 1.077 200 T CA -0.519 61.565 62.100 -0.027 0.000 1.222 200 T CB -0.432 68.436 68.868 -0.001 0.000 1.045 200 T HN 0.529 nan 8.240 nan 0.000 0.585 201 N N 2.156 120.846 118.700 -0.016 0.000 2.971 201 N HA 0.129 4.869 4.740 -0.001 0.000 0.193 201 N C -3.215 172.296 175.510 0.001 0.000 1.259 201 N CA -0.471 52.578 53.050 -0.001 0.000 1.656 201 N CB 1.436 39.924 38.487 0.001 0.000 1.566 201 N HN 0.343 nan 8.380 nan 0.000 0.631 202 P HA 0.054 nan 4.420 nan 0.000 0.263 202 P C -0.176 177.146 177.300 0.037 0.000 1.195 202 P CA 0.364 63.471 63.100 0.012 0.000 0.762 202 P CB 0.405 32.106 31.700 0.002 0.000 0.799 203 T N 4.402 118.984 114.554 0.047 0.000 2.793 203 T HA 0.070 4.420 4.350 -0.001 0.000 0.289 203 T C 1.370 176.140 174.700 0.115 0.000 0.956 203 T CA 0.330 62.469 62.100 0.064 0.000 1.177 203 T CB -0.140 68.761 68.868 0.054 0.000 0.897 203 T HN 0.360 nan 8.240 nan 0.000 0.533 204 L N 1.895 123.205 121.223 0.144 0.000 2.731 204 L HA 0.204 4.544 4.340 -0.001 0.000 0.240 204 L C 1.219 178.322 176.870 0.388 0.000 1.120 204 L CA -0.130 54.872 54.840 0.269 0.000 0.913 204 L CB 0.367 42.503 42.059 0.129 0.000 1.213 204 L HN 0.546 nan 8.230 nan 0.000 0.515 205 D N 2.510 123.031 120.400 0.201 0.000 2.402 205 D HA -0.033 4.607 4.640 -0.001 0.000 0.268 205 D C -1.360 175.003 176.300 0.105 0.000 1.294 205 D CA -1.173 52.922 54.000 0.158 0.000 0.945 205 D CB 1.284 42.129 40.800 0.075 0.000 1.112 205 D HN 0.063 nan 8.370 nan 0.000 0.517 206 P HA -0.222 nan 4.420 nan 0.000 0.216 206 P C 1.538 178.847 177.300 0.015 0.000 1.153 206 P CA 0.789 63.865 63.100 -0.040 0.000 0.858 206 P CB 0.204 32.004 31.700 0.167 0.000 0.789 207 R N 0.131 120.661 120.500 0.050 0.000 2.119 207 R HA -0.138 4.202 4.340 -0.001 0.000 0.246 207 R C 2.007 178.290 176.300 -0.027 0.000 1.146 207 R CA 1.889 58.002 56.100 0.022 0.000 0.962 207 R CB -0.673 29.637 30.300 0.017 0.000 0.863 207 R HN 0.078 nan 8.270 nan 0.000 0.442 208 V N 1.053 120.934 119.914 -0.055 0.000 2.283 208 V HA -0.200 3.919 4.120 -0.001 0.000 0.239 208 V C 2.503 178.521 176.094 -0.126 0.000 1.035 208 V CA 1.214 63.450 62.300 -0.107 0.000 1.018 208 V CB -0.395 31.385 31.823 -0.071 0.000 0.658 208 V HN 0.219 nan 8.190 nan 0.000 0.459 209 I N 0.431 120.904 120.570 -0.161 0.000 2.109 209 I HA -0.315 3.855 4.170 -0.001 0.000 0.233 209 I C 2.349 178.299 176.117 -0.277 0.000 1.005 209 I CA 2.353 63.483 61.300 -0.284 0.000 1.294 209 I CB -1.465 36.079 38.000 -0.760 0.000 1.005 209 I HN 0.270 nan 8.210 nan 0.000 0.392 210 F N 1.219 121.048 119.950 -0.203 0.000 2.583 210 F HA -0.046 4.481 4.527 -0.001 0.000 0.297 210 F C 2.467 178.224 175.800 -0.073 0.000 1.131 210 F CA 0.838 58.743 58.000 -0.159 0.000 1.467 210 F CB -1.478 37.375 39.000 -0.245 0.000 1.097 210 F HN 0.134 nan 8.300 nan 0.000 0.586 211 G N -0.670 108.144 108.800 0.023 0.000 2.440 211 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.218 211 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.218 211 G C 1.447 176.326 174.900 -0.035 0.000 1.154 211 G CA 0.745 45.814 45.100 -0.051 0.000 0.767 211 G HN 0.303 nan 8.290 nan 0.000 0.552 212 Y N 0.310 120.588 120.300 -0.036 0.000 2.139 212 Y HA -0.131 4.418 4.550 -0.001 0.000 0.282 212 Y C 2.714 178.608 175.900 -0.009 0.000 1.179 212 Y CA 1.074 59.136 58.100 -0.064 0.000 1.161 212 Y CB -0.442 37.919 38.460 -0.164 0.000 0.970 212 Y HN 0.093 nan 8.280 nan 0.000 0.511 213 L N -1.354 119.984 121.223 0.192 0.000 2.275 213 L HA -0.165 4.175 4.340 -0.001 0.000 0.215 213 L C 1.495 178.629 176.870 0.440 0.000 1.119 213 L CA 1.229 56.267 54.840 0.330 0.000 0.790 213 L CB -0.701 41.522 42.059 0.272 0.000 0.919 213 L HN 0.172 nan 8.230 nan 0.000 0.443 214 L N -1.245 120.132 121.223 0.256 0.000 2.628 214 L HA 0.140 4.480 4.340 -0.001 0.000 0.229 214 L C 0.887 177.856 176.870 0.166 0.000 1.137 214 L CA 0.381 55.325 54.840 0.174 0.000 0.909 214 L CB -0.705 41.407 42.059 0.088 0.000 1.137 214 L HN 0.029 nan 8.230 nan 0.000 0.470 215 K N -0.277 120.285 120.400 0.270 0.000 2.218 215 K HA 0.258 4.577 4.320 -0.001 0.000 0.276 215 K C 0.574 177.300 176.600 0.209 0.000 1.022 215 K CA -0.137 56.281 56.287 0.219 0.000 0.946 215 K CB 0.978 33.619 32.500 0.234 0.000 1.000 215 K HN -0.001 nan 8.250 nan 0.000 0.468 216 S N 2.845 118.614 115.700 0.114 0.000 2.573 216 S HA 0.122 4.592 4.470 -0.001 0.000 0.277 216 S C -1.708 172.907 174.600 0.025 0.000 1.346 216 S CA -1.141 57.106 58.200 0.078 0.000 1.034 216 S CB 0.537 63.823 63.200 0.143 0.000 0.879 216 S HN 0.543 nan 8.310 nan 0.000 0.528 217 P HA 0.226 nan 4.420 nan 0.000 0.268 217 P C -0.259 176.790 177.300 -0.418 0.000 1.329 217 P CA -0.029 62.891 63.100 -0.300 0.000 0.899 217 P CB 0.031 31.400 31.700 -0.552 0.000 1.378 218 F N 1.073 120.981 119.950 -0.069 0.000 2.294 218 F HA 0.523 5.050 4.527 -0.000 0.000 0.319 218 F C 1.911 177.658 175.800 -0.088 0.000 1.107 218 F CA -0.203 57.756 58.000 -0.069 0.000 1.094 218 F CB -0.622 38.350 39.000 -0.047 0.000 1.508 218 F HN -0.213 nan 8.300 nan 0.000 0.506 219 G N -0.098 108.807 108.800 0.175 0.000 2.321 219 G HA2 0.369 4.329 3.960 -0.001 0.000 0.237 219 G HA3 0.369 4.329 3.960 -0.001 0.000 0.237 219 G C 0.640 175.522 174.900 -0.029 0.000 1.282 219 G CA 0.276 45.394 45.100 0.030 0.000 0.886 219 G HN 1.192 nan 8.290 nan 0.000 0.528 220 G N 2.032 110.754 108.800 -0.130 0.000 3.594 220 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.285 220 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.285 220 G C 0.344 175.186 174.900 -0.096 0.000 1.551 220 G CA 0.174 45.174 45.100 -0.166 0.000 1.061 220 G HN 0.868 nan 8.290 nan 0.000 0.624 221 E N 2.881 123.059 120.200 -0.035 0.000 2.383 221 E HA 0.369 4.719 4.350 -0.001 0.000 0.257 221 E C 1.061 177.668 176.600 0.011 0.000 1.079 221 E CA 0.724 57.125 56.400 0.001 0.000 0.934 221 E CB 0.508 30.230 29.700 0.037 0.000 0.978 221 E HN 0.897 nan 8.360 nan 0.000 0.462 222 G N 2.496 111.300 108.800 0.007 0.000 3.277 222 G HA2 0.069 4.029 3.960 -0.001 0.000 0.243 222 G HA3 0.069 4.029 3.960 -0.001 0.000 0.243 222 G C 0.137 175.124 174.900 0.144 0.000 1.107 222 G CA -0.171 44.921 45.100 -0.014 0.000 0.771 222 G HN 0.620 nan 8.290 nan 0.000 0.544 223 W N -0.531 120.751 121.300 -0.030 0.000 3.684 223 W HA -0.333 4.327 4.660 -0.000 0.000 0.320 223 W C 1.523 178.082 176.519 0.066 0.000 0.077 223 W CA 0.407 57.767 57.345 0.026 0.000 0.450 223 W CB -1.236 28.211 29.460 -0.021 0.000 0.897 223 W HN 0.080 nan 8.180 nan 0.000 0.437 224 I N 0.630 120.907 120.570 -0.488 0.000 2.185 224 I HA -0.343 3.826 4.170 -0.001 0.000 0.246 224 I C 1.807 177.707 176.117 -0.361 0.000 1.088 224 I CA 2.177 63.166 61.300 -0.519 0.000 1.347 224 I CB -1.294 36.325 38.000 -0.635 0.000 1.041 224 I HN 0.321 nan 8.210 nan 0.000 0.415 225 V N 0.981 120.611 119.914 -0.473 0.000 3.241 225 V HA -0.164 3.956 4.120 -0.001 0.000 0.269 225 V C 2.272 178.145 176.094 -0.367 0.000 1.151 225 V CA 1.726 63.508 62.300 -0.863 0.000 1.158 225 V CB -1.042 30.388 31.823 -0.654 0.000 0.764 225 V HN 0.604 nan 8.190 nan 0.000 0.508 226 S N -0.789 114.829 115.700 -0.137 0.000 2.603 226 S HA 0.096 4.566 4.470 -0.001 0.000 0.220 226 S C 0.667 175.320 174.600 0.088 0.000 0.967 226 S CA -0.257 57.948 58.200 0.008 0.000 0.920 226 S CB -0.628 62.624 63.200 0.087 0.000 0.773 226 S HN 0.286 nan 8.310 nan 0.000 0.529 227 V N 4.070 123.952 119.914 -0.053 0.000 2.584 227 V HA 0.056 4.176 4.120 -0.001 0.000 0.303 227 V C 0.909 177.044 176.094 0.067 0.000 1.035 227 V CA 0.654 62.892 62.300 -0.103 0.000 1.172 227 V CB -0.550 31.156 31.823 -0.194 0.000 0.896 227 V HN 0.863 nan 8.190 nan 0.000 0.486 228 N N 2.007 120.753 118.700 0.078 0.000 2.305 228 N HA 0.148 4.888 4.740 -0.001 0.000 0.248 228 N C -0.424 175.046 175.510 -0.066 0.000 1.290 228 N CA -0.580 52.504 53.050 0.057 0.000 0.873 228 N CB 0.467 38.911 38.487 -0.072 0.000 1.261 228 N HN 0.750 nan 8.380 nan 0.000 0.504 229 N N -0.017 118.691 118.700 0.013 0.000 2.636 229 N HA 0.115 4.855 4.740 -0.001 0.000 0.261 229 N C -0.291 175.251 175.510 0.053 0.000 1.195 229 N CA -0.701 52.346 53.050 -0.006 0.000 0.902 229 N CB 0.909 39.334 38.487 -0.102 0.000 1.627 229 N HN -0.061 nan 8.380 nan 0.000 0.491 230 L N 0.490 121.756 121.223 0.070 0.000 2.201 230 L HA -0.111 4.229 4.340 -0.001 0.000 0.212 230 L C 1.774 178.657 176.870 0.023 0.000 1.105 230 L CA 1.309 56.178 54.840 0.049 0.000 0.775 230 L CB -0.287 41.797 42.059 0.042 0.000 0.913 230 L HN 0.598 nan 8.230 nan 0.000 0.440 231 E N 0.568 120.777 120.200 0.015 0.000 2.038 231 E HA -0.227 4.123 4.350 -0.001 0.000 0.195 231 E C 1.723 178.340 176.600 0.028 0.000 1.000 231 E CA 1.637 58.045 56.400 0.013 0.000 0.803 231 E CB -0.263 29.442 29.700 0.008 0.000 0.750 231 E HN 0.439 nan 8.360 nan 0.000 0.448 232 D N -0.528 119.894 120.400 0.036 0.000 2.097 232 D HA -0.125 4.515 4.640 -0.001 0.000 0.195 232 D C 1.949 178.253 176.300 0.008 0.000 0.989 232 D CA 1.097 55.123 54.000 0.043 0.000 0.827 232 D CB -0.269 40.588 40.800 0.095 0.000 0.966 232 D HN -0.006 nan 8.370 nan 0.000 0.456 233 V N 0.479 120.402 119.914 0.015 0.000 2.231 233 V HA -0.262 3.858 4.120 -0.001 0.000 0.248 233 V C 2.524 178.715 176.094 0.162 0.000 1.054 233 V CA 1.410 63.752 62.300 0.069 0.000 1.015 233 V CB -0.731 31.130 31.823 0.064 0.000 0.638 233 V HN 0.105 nan 8.190 nan 0.000 0.444 234 V N 0.790 120.749 119.914 0.074 0.000 2.261 234 V HA -0.202 3.917 4.120 -0.001 0.000 0.246 234 V C 2.658 178.800 176.094 0.079 0.000 1.047 234 V CA 2.306 64.634 62.300 0.048 0.000 1.015 234 V CB -1.609 30.200 31.823 -0.025 0.000 0.642 234 V HN 0.629 nan 8.190 nan 0.000 0.446 235 G N 0.182 109.019 108.800 0.062 0.000 2.514 235 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.217 235 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.217 235 G C 1.673 176.648 174.900 0.126 0.000 1.198 235 G CA 1.122 46.274 45.100 0.087 0.000 0.780 235 G HN 0.607 nan 8.290 nan 0.000 0.565 236 G N -0.134 108.697 108.800 0.053 0.000 2.469 236 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.220 236 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.220 236 G C 1.591 176.481 174.900 -0.018 0.000 1.136 236 G CA 1.377 46.454 45.100 -0.039 0.000 0.759 236 G HN 0.589 nan 8.290 nan 0.000 0.562 237 H N -0.180 118.896 119.070 0.010 0.000 2.423 237 H HA 0.130 4.686 4.556 -0.000 0.000 0.297 237 H C 2.555 177.912 175.328 0.049 0.000 1.075 237 H CA 0.940 56.999 56.048 0.018 0.000 1.342 237 H CB 0.010 29.763 29.762 -0.015 0.000 1.395 237 H HN 0.329 nan 8.280 nan 0.000 0.530 238 I N -0.862 119.800 120.570 0.153 0.000 2.127 238 I HA -0.331 3.838 4.170 -0.001 0.000 0.241 238 I C 1.783 177.946 176.117 0.077 0.000 1.075 238 I CA 1.322 62.667 61.300 0.075 0.000 1.334 238 I CB -0.289 37.719 38.000 0.012 0.000 1.040 238 I HN 0.386 nan 8.210 nan 0.000 0.405 239 W N 0.512 121.802 121.300 -0.017 0.000 2.335 239 W HA -0.238 4.421 4.660 -0.000 0.000 0.311 239 W C 2.503 179.043 176.519 0.034 0.000 1.213 239 W CA 0.842 58.185 57.345 -0.003 0.000 1.274 239 W CB -0.189 29.200 29.460 -0.118 0.000 1.148 239 W HN 0.031 nan 8.180 nan 0.000 0.498 240 I N 0.057 120.773 120.570 0.243 0.000 2.179 240 I HA -0.182 3.987 4.170 -0.001 0.000 0.242 240 I C 2.569 178.775 176.117 0.149 0.000 1.088 240 I CA 1.972 63.369 61.300 0.162 0.000 1.357 240 I CB -1.943 36.079 38.000 0.037 0.000 1.051 240 I HN 0.084 nan 8.210 nan 0.000 0.409 241 G N 1.160 110.039 108.800 0.132 0.000 2.476 241 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.218 241 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.218 241 G C 1.773 176.732 174.900 0.099 0.000 1.164 241 G CA 0.721 45.888 45.100 0.112 0.000 0.768 241 G HN 0.305 nan 8.290 nan 0.000 0.560 242 L N 0.037 121.308 121.223 0.080 0.000 1.961 242 L HA 0.022 4.362 4.340 -0.001 0.000 0.209 242 L C 2.874 179.806 176.870 0.103 0.000 1.075 242 L CA 0.866 55.740 54.840 0.056 0.000 0.749 242 L CB -0.737 41.303 42.059 -0.032 0.000 0.890 242 L HN 0.128 nan 8.230 nan 0.000 0.433 243 I N -0.370 120.301 120.570 0.169 0.000 2.227 243 I HA -0.454 3.716 4.170 -0.001 0.000 0.250 243 I C 2.817 179.017 176.117 0.138 0.000 1.087 243 I CA 1.412 62.830 61.300 0.197 0.000 1.352 243 I CB -0.459 37.727 38.000 0.310 0.000 1.043 243 I HN 0.500 nan 8.210 nan 0.000 0.425 244 C N 0.765 120.148 119.300 0.137 0.000 2.462 244 C HA -0.097 4.363 4.460 -0.001 0.000 0.278 244 C C 2.712 177.776 174.990 0.123 0.000 1.253 244 C CA 0.698 59.791 59.018 0.125 0.000 1.713 244 C CB -0.682 27.133 27.740 0.124 0.000 2.049 244 C HN 0.407 nan 8.230 nan 0.000 0.477 245 I N 1.291 121.931 120.570 0.117 0.000 2.361 245 I HA -0.147 4.022 4.170 -0.001 0.000 0.251 245 I C 2.736 178.922 176.117 0.116 0.000 1.133 245 I CA 1.394 62.765 61.300 0.118 0.000 1.413 245 I CB -0.709 37.353 38.000 0.103 0.000 1.073 245 I HN 0.313 nan 8.210 nan 0.000 0.424 246 A N 1.423 124.305 122.820 0.104 0.000 1.883 246 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 246 A C 2.453 180.106 177.584 0.115 0.000 1.186 246 A CA 2.112 54.211 52.037 0.103 0.000 0.624 246 A CB -1.477 17.575 19.000 0.086 0.000 0.822 246 A HN 0.461 nan 8.150 nan 0.000 0.444 247 G N -1.145 107.703 108.800 0.080 0.000 2.471 247 G HA2 0.133 4.093 3.960 -0.001 0.000 0.219 247 G HA3 0.133 4.093 3.960 -0.001 0.000 0.219 247 G C 1.374 176.362 174.900 0.146 0.000 1.125 247 G CA 1.162 46.282 45.100 0.035 0.000 0.775 247 G HN 0.712 nan 8.290 nan 0.000 0.548 248 G N 1.206 110.108 108.800 0.170 0.000 2.402 248 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.216 248 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.216 248 G C 1.606 176.601 174.900 0.158 0.000 1.162 248 G CA 0.878 46.089 45.100 0.185 0.000 0.777 248 G HN 0.304 nan 8.290 nan 0.000 0.539 249 I N 0.194 120.853 120.570 0.148 0.000 2.193 249 I HA -0.071 4.099 4.170 -0.001 0.000 0.240 249 I C 2.456 178.643 176.117 0.117 0.000 1.084 249 I CA 0.312 61.684 61.300 0.119 0.000 1.365 249 I CB -1.586 36.482 38.000 0.113 0.000 1.064 249 I HN 0.420 nan 8.210 nan 0.000 0.410 250 W N 2.889 124.158 121.300 -0.051 0.000 2.308 250 W HA -0.272 4.388 4.660 -0.000 0.000 0.301 250 W C 2.448 178.898 176.519 -0.116 0.000 1.220 250 W CA 1.933 59.215 57.345 -0.104 0.000 1.240 250 W CB -0.762 28.587 29.460 -0.184 0.000 1.142 250 W HN 0.322 nan 8.180 nan 0.000 0.521 251 H N -0.203 119.030 119.070 0.271 0.000 2.436 251 H HA -0.062 4.493 4.556 -0.001 0.000 0.294 251 H C 2.368 177.636 175.328 -0.100 0.000 1.048 251 H CA 1.415 57.530 56.048 0.111 0.000 1.353 251 H CB -0.316 29.515 29.762 0.115 0.000 1.414 251 H HN 0.118 nan 8.280 nan 0.000 0.536 252 I N 0.977 121.543 120.570 -0.007 0.000 2.226 252 I HA -0.206 3.964 4.170 -0.001 0.000 0.245 252 I C 1.586 177.632 176.117 -0.119 0.000 1.100 252 I CA 1.107 62.327 61.300 -0.132 0.000 1.374 252 I CB -0.710 37.244 38.000 -0.077 0.000 1.057 252 I HN 0.136 nan 8.210 nan 0.000 0.413 253 L N 0.588 121.733 121.223 -0.130 0.000 2.805 253 L HA 0.149 4.488 4.340 -0.001 0.000 0.237 253 L C -0.078 176.618 176.870 -0.290 0.000 1.252 253 L CA 0.022 54.752 54.840 -0.183 0.000 1.064 253 L CB -0.778 41.176 42.059 -0.175 0.000 1.361 253 L HN 0.189 nan 8.230 nan 0.000 0.474 254 T N -2.978 111.427 114.554 -0.248 0.000 2.661 254 T HA 0.329 4.679 4.350 -0.001 0.000 0.305 254 T C -0.723 173.907 174.700 -0.117 0.000 1.441 254 T CA -0.573 61.370 62.100 -0.262 0.000 0.999 254 T CB 2.530 71.113 68.868 -0.475 0.000 1.650 254 T HN -0.064 nan 8.240 nan 0.000 0.489 255 T N 1.105 115.612 114.554 -0.077 0.000 2.903 255 T HA 0.648 4.998 4.350 -0.001 0.000 0.299 255 T C -2.914 171.834 174.700 0.079 0.000 1.093 255 T CA -1.701 60.377 62.100 -0.036 0.000 1.002 255 T CB 1.234 70.041 68.868 -0.102 0.000 1.127 255 T HN 0.274 nan 8.240 nan 0.000 0.488 256 P HA 0.205 nan 4.420 nan 0.000 0.266 256 P C -0.032 177.364 177.300 0.159 0.000 1.195 256 P CA -0.218 62.969 63.100 0.146 0.000 0.768 256 P CB 0.192 31.960 31.700 0.112 0.000 0.838 257 F N 1.313 121.161 119.950 -0.170 0.000 1.951 257 F HA 0.096 4.623 4.527 -0.000 0.000 0.206 257 F C 2.249 177.948 175.800 -0.169 0.000 0.871 257 F CA 1.345 59.254 58.000 -0.150 0.000 1.173 257 F CB -1.361 37.562 39.000 -0.129 0.000 2.060 257 F HN 0.359 nan 8.300 nan 0.000 0.568 258 G N -0.689 108.203 108.800 0.153 0.000 2.564 258 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.212 258 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.212 258 G C 1.340 176.338 174.900 0.162 0.000 1.199 258 G CA 0.483 45.675 45.100 0.153 0.000 0.832 258 G HN 0.654 nan 8.290 nan 0.000 0.565 259 W N 1.598 123.041 121.300 0.237 0.000 2.333 259 W HA 0.019 4.679 4.660 -0.001 0.000 0.316 259 W C 2.326 179.020 176.519 0.292 0.000 1.215 259 W CA 1.327 58.794 57.345 0.204 0.000 1.278 259 W CB -1.560 27.989 29.460 0.149 0.000 1.154 259 W HN 0.324 nan 8.180 nan 0.000 0.486 260 A N 1.614 124.069 122.820 -0.609 0.000 2.054 260 A HA -0.249 4.071 4.320 -0.001 0.000 0.223 260 A C 2.246 180.103 177.584 0.455 0.000 1.169 260 A CA 2.462 54.340 52.037 -0.266 0.000 0.655 260 A CB -0.786 17.819 19.000 -0.659 0.000 0.812 260 A HN 0.475 nan 8.150 nan 0.000 0.462 261 R N -1.686 119.023 120.500 0.348 0.000 2.123 261 R HA 0.125 4.464 4.340 -0.001 0.000 0.209 261 R C 1.945 178.563 176.300 0.530 0.000 1.078 261 R CA 0.631 57.056 56.100 0.543 0.000 1.028 261 R CB -0.098 30.259 30.300 0.095 0.000 0.939 261 R HN 0.404 nan 8.270 nan 0.000 0.463 262 R N 0.399 121.097 120.500 0.330 0.000 2.323 262 R HA 0.127 4.466 4.340 -0.001 0.000 0.198 262 R C 1.466 177.895 176.300 0.215 0.000 0.988 262 R CA 0.600 56.855 56.100 0.258 0.000 1.041 262 R CB 0.284 30.707 30.300 0.204 0.000 0.926 262 R HN 0.160 nan 8.270 nan 0.000 0.476 263 A N 0.408 123.363 122.820 0.225 0.000 1.944 263 A HA 0.223 4.542 4.320 -0.001 0.000 0.207 263 A C 0.525 177.972 177.584 -0.229 0.000 1.265 263 A CA 0.124 52.148 52.037 -0.020 0.000 0.712 263 A CB 0.134 19.086 19.000 -0.080 0.000 0.915 263 A HN 0.044 nan 8.150 nan 0.000 0.470 264 F N 0.001 119.957 119.950 0.010 0.000 2.362 264 F HA 0.479 5.005 4.527 -0.000 0.000 0.311 264 F C 0.457 176.103 175.800 -0.257 0.000 1.161 264 F CA -0.645 57.211 58.000 -0.240 0.000 1.085 264 F CB 0.524 39.153 39.000 -0.620 0.000 1.311 264 F HN -0.040 nan 8.300 nan 0.000 0.524 265 I N 0.739 121.269 120.570 -0.067 0.000 2.377 265 I HA 0.111 4.281 4.170 -0.001 0.000 0.293 265 I C -1.279 174.634 176.117 -0.341 0.000 0.987 265 I CA -1.078 60.170 61.300 -0.087 0.000 1.185 265 I CB 1.218 39.197 38.000 -0.034 0.000 1.341 265 I HN 0.562 nan 8.210 nan 0.000 0.455 266 W N 6.199 127.545 121.300 0.077 0.000 2.298 266 W HA 0.538 5.197 4.660 -0.000 0.000 0.327 266 W C 0.133 176.537 176.519 -0.192 0.000 0.988 266 W CA -0.329 57.061 57.345 0.074 0.000 1.448 266 W CB 0.895 30.520 29.460 0.276 0.000 1.243 266 W HN 0.516 nan 8.180 nan 0.000 0.388 267 S N -0.376 114.889 115.700 -0.725 0.000 2.611 267 S HA 0.583 5.052 4.470 -0.001 0.000 0.268 267 S C 0.700 174.630 174.600 -1.117 0.000 1.156 267 S CA -0.449 57.395 58.200 -0.594 0.000 0.817 267 S CB 1.138 64.100 63.200 -0.397 0.000 1.122 267 S HN 0.475 nan 8.310 nan 0.000 0.466 268 G N 0.277 108.466 108.800 -1.017 0.000 2.422 268 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.218 268 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.218 268 G C 0.947 175.236 174.900 -1.019 0.000 1.146 268 G CA 1.226 45.345 45.100 -1.635 0.000 0.769 268 G HN 0.834 nan 8.290 nan 0.000 0.547 269 E N 0.119 119.884 120.200 -0.724 0.000 2.021 269 E HA 0.081 4.431 4.350 -0.001 0.000 0.189 269 E C 2.935 179.150 176.600 -0.642 0.000 0.980 269 E CA 0.671 56.724 56.400 -0.579 0.000 0.803 269 E CB -0.197 29.265 29.700 -0.397 0.000 0.766 269 E HN 0.271 nan 8.360 nan 0.000 0.449 270 A N 0.585 122.971 122.820 -0.722 0.000 1.940 270 A HA -0.256 4.063 4.320 -0.001 0.000 0.221 270 A C 1.987 178.746 177.584 -1.375 0.000 1.190 270 A CA 1.983 53.463 52.037 -0.928 0.000 0.647 270 A CB -1.117 17.401 19.000 -0.804 0.000 0.821 270 A HN 0.411 nan 8.150 nan 0.000 0.457 271 Y N -0.892 118.912 120.300 -0.826 0.000 2.181 271 Y HA -0.106 4.444 4.550 -0.000 0.000 0.288 271 Y C 2.233 177.850 175.900 -0.472 0.000 1.146 271 Y CA 0.703 58.434 58.100 -0.614 0.000 1.164 271 Y CB -1.272 36.991 38.460 -0.328 0.000 0.982 271 Y HN 0.342 nan 8.280 nan 0.000 0.515 272 L N 0.494 121.511 121.223 -0.343 0.000 1.944 272 L HA -0.282 4.058 4.340 -0.001 0.000 0.218 272 L C 2.686 179.445 176.870 -0.184 0.000 1.075 272 L CA 2.534 57.219 54.840 -0.259 0.000 0.767 272 L CB -1.515 40.302 42.059 -0.403 0.000 0.890 272 L HN 0.347 nan 8.230 nan 0.000 0.434 273 S N -0.847 114.716 115.700 -0.229 0.000 2.393 273 S HA -0.365 4.104 4.470 -0.001 0.000 0.235 273 S C 2.066 176.764 174.600 0.163 0.000 1.061 273 S CA 2.104 60.318 58.200 0.023 0.000 1.129 273 S CB -1.503 61.694 63.200 -0.004 0.000 1.011 273 S HN 0.571 nan 8.310 nan 0.000 0.436 274 Y N 2.083 122.428 120.300 0.075 0.000 2.193 274 Y HA -0.028 4.522 4.550 -0.001 0.000 0.285 274 Y C 3.178 179.071 175.900 -0.011 0.000 1.166 274 Y CA 0.523 58.642 58.100 0.032 0.000 1.181 274 Y CB -1.480 37.006 38.460 0.043 0.000 0.976 274 Y HN 0.335 nan 8.280 nan 0.000 0.520 275 S N -0.392 115.391 115.700 0.138 0.000 2.461 275 S HA -0.003 4.467 4.470 -0.001 0.000 0.228 275 S C 2.087 176.736 174.600 0.081 0.000 1.005 275 S CA 0.354 58.609 58.200 0.092 0.000 0.942 275 S CB -0.302 62.939 63.200 0.068 0.000 0.776 275 S HN 0.327 nan 8.310 nan 0.000 0.514 276 L N 0.796 122.053 121.223 0.057 0.000 2.044 276 L HA 0.001 4.341 4.340 -0.001 0.000 0.205 276 L C 2.733 179.645 176.870 0.069 0.000 1.075 276 L CA 1.229 56.099 54.840 0.050 0.000 0.747 276 L CB -0.957 41.112 42.059 0.017 0.000 0.903 276 L HN 0.405 nan 8.230 nan 0.000 0.435 277 G N -0.663 108.080 108.800 -0.095 0.000 2.432 277 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.219 277 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.219 277 G C 1.714 176.576 174.900 -0.062 0.000 1.135 277 G CA 0.802 45.738 45.100 -0.273 0.000 0.767 277 G HN 0.470 nan 8.290 nan 0.000 0.550 278 A N 0.635 123.454 122.820 -0.001 0.000 1.873 278 A HA 0.126 4.446 4.320 -0.001 0.000 0.215 278 A C 2.414 180.047 177.584 0.082 0.000 1.186 278 A CA 1.123 53.193 52.037 0.054 0.000 0.616 278 A CB -0.364 18.678 19.000 0.070 0.000 0.823 278 A HN 0.338 nan 8.150 nan 0.000 0.442 279 L N -0.763 120.528 121.223 0.113 0.000 2.027 279 L HA -0.153 4.187 4.340 -0.001 0.000 0.206 279 L C 2.915 179.793 176.870 0.013 0.000 1.074 279 L CA 1.481 56.378 54.840 0.095 0.000 0.745 279 L CB -0.729 41.452 42.059 0.203 0.000 0.898 279 L HN 0.542 nan 8.230 nan 0.000 0.433 280 S N 0.345 116.082 115.700 0.063 0.000 2.377 280 S HA -0.354 4.116 4.470 -0.001 0.000 0.224 280 S C 2.119 176.632 174.600 -0.146 0.000 1.042 280 S CA 2.357 60.495 58.200 -0.104 0.000 1.086 280 S CB -0.331 62.883 63.200 0.023 0.000 0.995 280 S HN 0.404 nan 8.310 nan 0.000 0.428 281 M N 0.091 119.743 119.600 0.086 0.000 2.106 281 M HA -0.150 4.330 4.480 -0.001 0.000 0.259 281 M C 2.135 178.558 176.300 0.205 0.000 1.068 281 M CA 2.020 57.459 55.300 0.231 0.000 1.100 281 M CB -0.253 32.466 32.600 0.197 0.000 1.351 281 M HN 0.446 nan 8.290 nan 0.000 0.404 282 M N -0.648 119.025 119.600 0.121 0.000 2.319 282 M HA -0.040 4.439 4.480 -0.001 0.000 0.265 282 M C 2.096 178.460 176.300 0.107 0.000 1.068 282 M CA 1.322 56.701 55.300 0.132 0.000 1.118 282 M CB -0.618 32.037 32.600 0.092 0.000 1.395 282 M HN 0.535 nan 8.290 nan 0.000 0.435 283 G N -0.117 108.665 108.800 -0.031 0.000 2.408 283 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.217 283 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.217 283 G C 1.131 176.029 174.900 -0.004 0.000 1.150 283 G CA 0.493 45.528 45.100 -0.108 0.000 0.776 283 G HN 0.279 nan 8.290 nan 0.000 0.542 284 F N 0.842 120.860 119.950 0.113 0.000 2.163 284 F HA 0.190 4.717 4.527 -0.000 0.000 0.297 284 F C 2.610 178.556 175.800 0.243 0.000 1.094 284 F CA 0.186 58.284 58.000 0.163 0.000 1.290 284 F CB -0.446 38.630 39.000 0.128 0.000 1.017 284 F HN 0.043 nan 8.300 nan 0.000 0.483 285 I N -0.205 120.635 120.570 0.451 0.000 2.286 285 I HA -0.305 3.865 4.170 -0.001 0.000 0.248 285 I C 2.547 178.949 176.117 0.475 0.000 1.115 285 I CA 1.188 62.768 61.300 0.467 0.000 1.392 285 I CB -0.736 37.541 38.000 0.461 0.000 1.065 285 I HN 0.096 nan 8.210 nan 0.000 0.418 286 A N 0.358 123.394 122.820 0.360 0.000 1.930 286 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 286 A C 2.373 180.126 177.584 0.282 0.000 1.175 286 A CA 2.150 54.375 52.037 0.313 0.000 0.627 286 A CB -0.966 18.171 19.000 0.227 0.000 0.815 286 A HN 0.348 nan 8.150 nan 0.000 0.443 287 T N -0.621 114.109 114.554 0.293 0.000 2.684 287 T HA -0.211 4.139 4.350 -0.001 0.000 0.267 287 T C 1.860 176.721 174.700 0.269 0.000 1.036 287 T CA 1.771 64.026 62.100 0.259 0.000 1.148 287 T CB -0.643 68.440 68.868 0.358 0.000 0.863 287 T HN 0.578 nan 8.240 nan 0.000 0.436 288 C N 0.156 119.676 119.300 0.367 0.000 2.446 288 C HA 0.149 4.609 4.460 -0.001 0.000 0.279 288 C C 2.300 177.553 174.990 0.439 0.000 1.366 288 C CA -0.302 58.993 59.018 0.461 0.000 1.763 288 C CB -1.499 26.516 27.740 0.458 0.000 1.929 288 C HN 0.495 nan 8.230 nan 0.000 0.509 289 F N 0.289 120.392 119.950 0.254 0.000 2.113 289 F HA -0.115 4.412 4.527 -0.000 0.000 0.297 289 F C 2.445 178.221 175.800 -0.041 0.000 1.103 289 F CA 1.673 59.799 58.000 0.211 0.000 1.248 289 F CB -0.332 38.837 39.000 0.281 0.000 0.999 289 F HN 0.009 nan 8.300 nan 0.000 0.475 290 V N -0.337 119.483 119.914 -0.156 0.000 2.809 290 V HA -0.251 3.869 4.120 -0.001 0.000 0.256 290 V C 1.738 177.682 176.094 -0.250 0.000 1.080 290 V CA 1.404 63.274 62.300 -0.718 0.000 1.102 290 V CB -0.319 31.094 31.823 -0.682 0.000 0.705 290 V HN 0.607 nan 8.190 nan 0.000 0.475 291 W N -1.149 120.000 121.300 -0.252 0.000 2.539 291 W HA -0.055 4.604 4.660 -0.000 0.000 0.281 291 W C 1.822 178.102 176.519 -0.398 0.000 1.220 291 W CA 0.861 57.997 57.345 -0.349 0.000 1.332 291 W CB 0.065 29.264 29.460 -0.434 0.000 1.095 291 W HN 0.374 nan 8.180 nan 0.000 0.571 292 F N 0.032 120.002 119.950 0.033 0.000 2.419 292 F HA 0.129 4.656 4.527 -0.001 0.000 0.283 292 F C 1.294 177.089 175.800 -0.009 0.000 1.044 292 F CA 0.379 58.364 58.000 -0.025 0.000 1.376 292 F CB -1.186 37.840 39.000 0.042 0.000 1.131 292 F HN -0.372 nan 8.300 nan 0.000 0.585 293 N N 1.586 120.418 118.700 0.221 0.000 2.458 293 N HA -0.105 4.634 4.740 -0.001 0.000 0.258 293 N C 0.532 176.187 175.510 0.242 0.000 1.219 293 N CA 0.324 53.517 53.050 0.238 0.000 0.902 293 N CB 0.615 39.330 38.487 0.379 0.000 1.076 293 N HN 0.112 nan 8.380 nan 0.000 0.455 294 N N 1.623 120.468 118.700 0.241 0.000 2.454 294 N HA 0.018 4.758 4.740 -0.001 0.000 0.177 294 N C 0.939 176.562 175.510 0.188 0.000 1.049 294 N CA 0.711 53.874 53.050 0.189 0.000 0.887 294 N CB 0.190 38.779 38.487 0.170 0.000 1.095 294 N HN 0.505 nan 8.380 nan 0.000 0.446 295 T N 0.783 115.508 114.554 0.286 0.000 2.643 295 T HA -0.072 4.277 4.350 -0.001 0.000 0.256 295 T C 1.852 176.681 174.700 0.215 0.000 1.061 295 T CA 1.876 64.156 62.100 0.299 0.000 1.163 295 T CB -0.524 68.579 68.868 0.391 0.000 0.865 295 T HN 0.163 nan 8.240 nan 0.000 0.407 296 V N -1.901 118.112 119.914 0.165 0.000 3.510 296 V HA 0.175 4.295 4.120 -0.001 0.000 0.270 296 V C -0.092 175.817 176.094 -0.308 0.000 1.201 296 V CA 0.544 62.802 62.300 -0.070 0.000 1.166 296 V CB -1.289 30.424 31.823 -0.184 0.000 0.825 296 V HN 0.447 nan 8.190 nan 0.000 0.484 297 Y N 0.413 120.795 120.300 0.136 0.000 2.628 297 Y HA 0.565 5.115 4.550 -0.000 0.000 0.354 297 Y C -2.816 173.202 175.900 0.197 0.000 1.061 297 Y CA -3.150 54.974 58.100 0.040 0.000 1.251 297 Y CB 1.376 39.661 38.460 -0.291 0.000 1.098 297 Y HN 0.149 nan 8.280 nan 0.000 0.626 298 P HA 0.072 nan 4.420 nan 0.000 0.266 298 P C 0.708 178.078 177.300 0.117 0.000 1.215 298 P CA 0.544 63.758 63.100 0.189 0.000 0.763 298 P CB 1.143 32.860 31.700 0.028 0.000 0.806 299 S N 2.091 117.793 115.700 0.002 0.000 2.493 299 S HA -0.160 4.309 4.470 -0.001 0.000 0.243 299 S C 1.338 175.846 174.600 -0.153 0.000 0.991 299 S CA 1.242 59.361 58.200 -0.136 0.000 0.957 299 S CB -0.469 62.563 63.200 -0.280 0.000 0.756 299 S HN 0.557 nan 8.310 nan 0.000 0.521 300 E N 0.248 120.316 120.200 -0.221 0.000 2.158 300 E HA 0.014 4.364 4.350 -0.001 0.000 0.191 300 E C 1.150 177.601 176.600 -0.249 0.000 0.982 300 E CA 0.965 57.178 56.400 -0.312 0.000 0.823 300 E CB -0.067 29.199 29.700 -0.722 0.000 0.766 300 E HN 0.548 nan 8.360 nan 0.000 0.468 301 F N -1.524 118.446 119.950 0.034 0.000 2.419 301 F HA 0.204 4.731 4.527 -0.001 0.000 0.283 301 F C 0.806 176.597 175.800 -0.016 0.000 1.044 301 F CA -0.116 57.850 58.000 -0.058 0.000 1.376 301 F CB -0.719 38.112 39.000 -0.282 0.000 1.131 301 F HN -0.109 nan 8.300 nan 0.000 0.585 302 Y N -0.056 120.404 120.300 0.266 0.000 2.488 302 Y HA 0.555 5.105 4.550 -0.000 0.000 0.385 302 Y C 1.367 177.230 175.900 -0.061 0.000 1.371 302 Y CA -0.677 57.532 58.100 0.182 0.000 1.712 302 Y CB -0.622 37.913 38.460 0.125 0.000 1.715 302 Y HN -0.075 nan 8.280 nan 0.000 0.607 303 G N -0.272 108.512 108.800 -0.025 0.000 2.568 303 G HA2 0.480 4.440 3.960 -0.001 0.000 0.293 303 G HA3 0.480 4.440 3.960 -0.001 0.000 0.293 303 G C -2.765 171.785 174.900 -0.585 0.000 1.347 303 G CA -1.643 43.121 45.100 -0.561 0.000 1.039 303 G HN 0.303 nan 8.290 nan 0.000 0.523 304 P HA 0.183 nan 4.420 nan 0.000 0.278 304 P C 0.131 177.095 177.300 -0.559 0.000 1.238 304 P CA -0.033 62.551 63.100 -0.860 0.000 0.794 304 P CB 1.190 32.259 31.700 -1.052 0.000 0.955 305 T N 1.407 115.670 114.554 -0.486 0.000 2.795 305 T HA 0.179 4.529 4.350 -0.001 0.000 0.314 305 T C 1.964 176.255 174.700 -0.681 0.000 1.069 305 T CA 0.757 62.532 62.100 -0.543 0.000 1.071 305 T CB -0.095 68.580 68.868 -0.322 0.000 0.988 305 T HN 0.522 nan 8.240 nan 0.000 0.543 306 G N 2.822 111.043 108.800 -0.964 0.000 2.514 306 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.217 306 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.217 306 G C -0.984 173.400 174.900 -0.859 0.000 1.198 306 G CA 0.822 45.410 45.100 -0.854 0.000 0.780 306 G HN 0.564 nan 8.290 nan 0.000 0.565 307 P HA -0.013 nan 4.420 nan 0.000 0.217 307 P C 1.601 178.411 177.300 -0.816 0.000 1.150 307 P CA 1.417 63.795 63.100 -1.203 0.000 0.832 307 P CB 0.012 31.474 31.700 -0.397 0.000 0.787 308 E N -0.265 119.426 120.200 -0.849 0.000 2.118 308 E HA -0.219 4.131 4.350 -0.001 0.000 0.195 308 E C 1.836 178.119 176.600 -0.529 0.000 0.992 308 E CA 1.334 57.048 56.400 -1.144 0.000 0.804 308 E CB -0.461 28.782 29.700 -0.761 0.000 0.741 308 E HN 0.088 nan 8.360 nan 0.000 0.458 309 A N 0.151 122.700 122.820 -0.452 0.000 1.929 309 A HA -0.105 4.214 4.320 -0.001 0.000 0.216 309 A C 2.271 179.744 177.584 -0.185 0.000 1.176 309 A CA 1.480 53.352 52.037 -0.277 0.000 0.628 309 A CB -0.598 18.250 19.000 -0.255 0.000 0.816 309 A HN 0.311 nan 8.150 nan 0.000 0.444 310 S N -1.057 114.507 115.700 -0.227 0.000 2.402 310 S HA -0.162 4.308 4.470 -0.001 0.000 0.229 310 S C 2.136 176.770 174.600 0.056 0.000 1.021 310 S CA 1.363 59.549 58.200 -0.023 0.000 0.974 310 S CB -0.352 62.932 63.200 0.139 0.000 0.800 310 S HN 0.550 nan 8.310 nan 0.000 0.484 311 Q N 0.954 120.771 119.800 0.029 0.000 2.050 311 Q HA 0.010 4.350 4.340 -0.001 0.000 0.202 311 Q C 2.583 178.662 176.000 0.131 0.000 0.980 311 Q CA 1.553 57.484 55.803 0.214 0.000 0.840 311 Q CB -1.019 27.897 28.738 0.297 0.000 0.898 311 Q HN 0.658 nan 8.270 nan 0.000 0.424 312 A N 1.002 123.877 122.820 0.091 0.000 1.986 312 A HA -0.277 4.042 4.320 -0.001 0.000 0.220 312 A C 2.079 179.596 177.584 -0.113 0.000 1.171 312 A CA 1.896 53.882 52.037 -0.085 0.000 0.640 312 A CB -0.600 18.225 19.000 -0.292 0.000 0.811 312 A HN 0.453 nan 8.150 nan 0.000 0.451 313 Q N -0.734 119.034 119.800 -0.052 0.000 2.050 313 Q HA -0.114 4.226 4.340 -0.001 0.000 0.202 313 Q C 2.282 178.302 176.000 0.034 0.000 0.980 313 Q CA 1.553 57.380 55.803 0.039 0.000 0.840 313 Q CB -0.354 28.445 28.738 0.101 0.000 0.898 313 Q HN 0.632 nan 8.270 nan 0.000 0.424 314 A N 0.620 123.358 122.820 -0.137 0.000 1.883 314 A HA -0.263 4.057 4.320 -0.001 0.000 0.217 314 A C 2.028 179.306 177.584 -0.509 0.000 1.186 314 A CA 1.836 53.669 52.037 -0.340 0.000 0.624 314 A CB -0.729 17.862 19.000 -0.681 0.000 0.822 314 A HN 0.564 nan 8.150 nan 0.000 0.444 315 M N 0.052 119.258 119.600 -0.657 0.000 2.082 315 M HA -0.148 4.332 4.480 -0.001 0.000 0.258 315 M C 2.047 178.267 176.300 -0.133 0.000 1.071 315 M CA 2.761 57.901 55.300 -0.267 0.000 1.103 315 M CB -1.280 31.373 32.600 0.088 0.000 1.307 315 M HN 0.377 nan 8.290 nan 0.000 0.409 316 T N 0.320 114.762 114.554 -0.187 0.000 2.624 316 T HA -0.188 4.162 4.350 -0.001 0.000 0.268 316 T C 1.499 175.963 174.700 -0.393 0.000 1.041 316 T CA 2.253 64.163 62.100 -0.316 0.000 1.159 316 T CB -0.644 67.961 68.868 -0.438 0.000 0.863 316 T HN 0.389 nan 8.240 nan 0.000 0.434 317 F N 0.468 120.403 119.950 -0.025 0.000 2.367 317 F HA 0.238 4.765 4.527 -0.000 0.000 0.298 317 F C 2.068 177.928 175.800 0.101 0.000 1.094 317 F CA 0.074 58.106 58.000 0.053 0.000 1.409 317 F CB -0.471 38.580 39.000 0.085 0.000 1.064 317 F HN 0.075 nan 8.300 nan 0.000 0.528 318 L N -0.193 121.156 121.223 0.210 0.000 2.093 318 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 318 L C 2.155 178.990 176.870 -0.058 0.000 1.085 318 L CA 1.452 56.334 54.840 0.071 0.000 0.755 318 L CB -0.317 41.859 42.059 0.196 0.000 0.904 318 L HN 0.084 nan 8.230 nan 0.000 0.435 319 I N -0.278 120.272 120.570 -0.033 0.000 2.179 319 I HA -0.309 3.861 4.170 -0.001 0.000 0.242 319 I C 2.784 178.850 176.117 -0.085 0.000 1.088 319 I CA 1.388 62.649 61.300 -0.064 0.000 1.357 319 I CB -0.394 37.554 38.000 -0.086 0.000 1.051 319 I HN 0.340 nan 8.210 nan 0.000 0.409 320 R N 1.357 121.796 120.500 -0.102 0.000 2.109 320 R HA -0.218 4.122 4.340 -0.001 0.000 0.227 320 R C 1.980 178.265 176.300 -0.025 0.000 1.132 320 R CA 2.472 58.527 56.100 -0.075 0.000 0.907 320 R CB -0.379 29.869 30.300 -0.087 0.000 0.825 320 R HN 0.209 nan 8.270 nan 0.000 0.432 321 D N 0.241 120.657 120.400 0.028 0.000 2.203 321 D HA -0.260 4.379 4.640 -0.001 0.000 0.199 321 D C 1.859 178.109 176.300 -0.084 0.000 0.997 321 D CA 1.594 55.599 54.000 0.009 0.000 0.863 321 D CB -0.383 40.463 40.800 0.076 0.000 0.928 321 D HN 0.494 nan 8.370 nan 0.000 0.458 322 Q N 0.690 120.404 119.800 -0.144 0.000 2.170 322 Q HA -0.151 4.189 4.340 -0.001 0.000 0.203 322 Q C 1.684 177.643 176.000 -0.068 0.000 0.976 322 Q CA 1.286 57.011 55.803 -0.130 0.000 0.858 322 Q CB 0.139 28.802 28.738 -0.124 0.000 0.907 322 Q HN 0.172 nan 8.270 nan 0.000 0.433 323 K N -0.270 120.099 120.400 -0.052 0.000 2.217 323 K HA -0.027 4.293 4.320 -0.001 0.000 0.202 323 K C 1.357 177.945 176.600 -0.021 0.000 1.051 323 K CA 0.374 56.641 56.287 -0.034 0.000 0.952 323 K CB 0.219 32.698 32.500 -0.034 0.000 0.736 323 K HN 0.264 nan 8.250 nan 0.000 0.453 324 L N 0.072 121.286 121.223 -0.016 0.000 2.599 324 L HA 0.065 4.404 4.340 -0.001 0.000 0.230 324 L C 1.104 177.973 176.870 -0.003 0.000 1.141 324 L CA 1.090 55.930 54.840 -0.001 0.000 0.877 324 L CB -0.825 41.244 42.059 0.017 0.000 1.009 324 L HN 0.470 nan 8.230 nan 0.000 0.447 325 G N -0.434 108.357 108.800 -0.015 0.000 2.134 325 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.209 325 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.209 325 G C 0.429 175.321 174.900 -0.014 0.000 0.993 325 G CA 0.071 45.164 45.100 -0.012 0.000 0.669 325 G HN 0.586 nan 8.290 nan 0.000 0.519 326 A N 0.055 122.855 122.820 -0.033 0.000 2.309 326 A HA 0.674 4.994 4.320 -0.001 0.000 0.298 326 A C 0.304 177.849 177.584 -0.065 0.000 1.165 326 A CA -0.505 51.511 52.037 -0.035 0.000 0.821 326 A CB 0.407 19.377 19.000 -0.049 0.000 1.102 326 A HN 0.257 nan 8.150 nan 0.000 0.500 327 N N 2.648 121.334 118.700 -0.023 0.000 2.602 327 N HA 0.149 4.889 4.740 -0.001 0.000 0.238 327 N C 1.645 177.148 175.510 -0.012 0.000 1.084 327 N CA 0.168 53.207 53.050 -0.018 0.000 0.952 327 N CB 1.211 39.705 38.487 0.010 0.000 1.244 327 N HN 0.587 nan 8.380 nan 0.000 0.512 328 V N 1.040 120.899 119.914 -0.093 0.000 2.317 328 V HA -0.218 3.902 4.120 -0.001 0.000 0.251 328 V C 2.149 178.307 176.094 0.106 0.000 1.065 328 V CA 2.236 64.492 62.300 -0.073 0.000 1.049 328 V CB -1.330 30.412 31.823 -0.136 0.000 0.651 328 V HN 0.476 nan 8.190 nan 0.000 0.450 329 G N 0.621 109.457 108.800 0.061 0.000 2.469 329 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.220 329 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.220 329 G C 1.504 176.450 174.900 0.077 0.000 1.136 329 G CA 1.497 46.638 45.100 0.068 0.000 0.759 329 G HN 0.935 nan 8.290 nan 0.000 0.562 330 S N -0.492 115.254 115.700 0.076 0.000 2.593 330 S HA 0.663 5.133 4.470 -0.001 0.000 0.236 330 S C 0.795 175.450 174.600 0.092 0.000 0.991 330 S CA 0.158 58.399 58.200 0.070 0.000 0.963 330 S CB 0.719 63.946 63.200 0.046 0.000 0.865 330 S HN 0.568 nan 8.310 nan 0.000 0.488 331 A N 1.846 124.760 122.820 0.155 0.000 2.492 331 A HA 0.377 4.697 4.320 -0.001 0.000 0.254 331 A C 0.194 177.838 177.584 0.101 0.000 1.091 331 A CA -0.138 52.010 52.037 0.184 0.000 0.768 331 A CB 0.150 19.401 19.000 0.419 0.000 1.028 331 A HN 0.529 nan 8.150 nan 0.000 0.498 332 Q N 2.344 122.177 119.800 0.055 0.000 2.325 332 Q HA 0.486 4.826 4.340 -0.001 0.000 0.262 332 Q C 0.325 176.315 176.000 -0.016 0.000 0.968 332 Q CA -0.339 55.473 55.803 0.016 0.000 0.877 332 Q CB 1.270 30.017 28.738 0.015 0.000 1.253 332 Q HN 0.894 nan 8.270 nan 0.000 0.448 333 G N 3.668 112.441 108.800 -0.045 0.000 2.528 333 G HA2 0.246 4.206 3.960 -0.001 0.000 0.289 333 G HA3 0.246 4.206 3.960 -0.001 0.000 0.289 333 G C -1.797 173.074 174.900 -0.048 0.000 1.192 333 G CA -1.263 43.794 45.100 -0.072 0.000 0.921 333 G HN 0.558 nan 8.290 nan 0.000 0.512 334 P HA -0.251 nan 4.420 nan 0.000 0.222 334 P C 2.070 179.351 177.300 -0.031 0.000 1.157 334 P CA 2.792 65.869 63.100 -0.038 0.000 0.905 334 P CB 0.029 31.702 31.700 -0.044 0.000 0.792 335 T N -5.916 108.618 114.554 -0.033 0.000 3.088 335 T HA 0.281 4.630 4.350 -0.001 0.000 0.259 335 T C 1.360 176.047 174.700 -0.022 0.000 1.122 335 T CA 0.498 62.582 62.100 -0.026 0.000 1.095 335 T CB -0.719 68.133 68.868 -0.027 0.000 0.930 335 T HN 0.316 nan 8.240 nan 0.000 0.508 336 G N 0.669 109.456 108.800 -0.022 0.000 2.165 336 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.226 336 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.226 336 G C 0.203 175.094 174.900 -0.016 0.000 1.035 336 G CA 0.186 45.277 45.100 -0.016 0.000 0.744 336 G HN 0.469 nan 8.290 nan 0.000 0.501 337 L N -0.403 120.808 121.223 -0.020 0.000 2.577 337 L HA 0.637 4.977 4.340 -0.001 0.000 0.225 337 L C 1.420 178.284 176.870 -0.010 0.000 1.053 337 L CA 1.865 56.694 54.840 -0.018 0.000 0.866 337 L CB 0.445 42.490 42.059 -0.023 0.000 1.132 337 L HN 1.584 nan 8.230 nan 0.000 0.486 338 G N 0.357 109.149 108.800 -0.014 0.000 2.314 338 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.286 338 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.286 338 G C 0.428 175.308 174.900 -0.034 0.000 1.270 338 G CA 0.129 45.232 45.100 0.005 0.000 1.277 338 G HN 0.106 nan 8.290 nan 0.000 0.635 339 K N 0.068 120.391 120.400 -0.127 0.000 2.066 339 K HA -0.267 4.053 4.320 -0.001 0.000 0.221 339 K C 1.767 178.103 176.600 -0.441 0.000 1.056 339 K CA 3.137 59.194 56.287 -0.383 0.000 0.950 339 K CB -0.227 31.878 32.500 -0.658 0.000 0.726 339 K HN 0.696 nan 8.250 nan 0.000 0.456 340 Y N -1.339 119.020 120.300 0.098 0.000 2.464 340 Y HA 0.312 4.862 4.550 -0.000 0.000 0.288 340 Y C 0.368 176.405 175.900 0.228 0.000 1.133 340 Y CA -0.263 57.933 58.100 0.160 0.000 1.223 340 Y CB 0.474 39.029 38.460 0.158 0.000 1.187 340 Y HN -0.134 nan 8.280 nan 0.000 0.539 341 L N 1.453 122.858 121.223 0.303 0.000 2.386 341 L HA 0.561 4.900 4.340 -0.001 0.000 0.271 341 L C -0.449 176.483 176.870 0.104 0.000 0.993 341 L CA -0.805 54.157 54.840 0.203 0.000 0.819 341 L CB 2.093 44.246 42.059 0.157 0.000 1.294 341 L HN 0.146 nan 8.230 nan 0.000 0.414 342 M N 0.676 120.311 119.600 0.059 0.000 3.053 342 M HA 0.689 5.169 4.480 -0.001 0.000 0.281 342 M C -1.303 174.965 176.300 -0.052 0.000 1.304 342 M CA -0.996 54.306 55.300 0.004 0.000 0.767 342 M CB 2.238 34.838 32.600 -0.000 0.000 1.730 342 M HN 0.283 nan 8.290 nan 0.000 0.437 343 R N 0.676 121.120 120.500 -0.094 0.000 2.711 343 R HA 0.646 4.986 4.340 -0.001 0.000 0.284 343 R C -0.501 175.641 176.300 -0.264 0.000 0.968 343 R CA -0.617 55.385 56.100 -0.164 0.000 0.924 343 R CB 2.228 32.450 30.300 -0.130 0.000 1.162 343 R HN 0.921 nan 8.270 nan 0.000 0.465 344 S N 1.554 116.980 115.700 -0.456 0.000 2.661 344 S HA 0.264 4.734 4.470 -0.001 0.000 0.265 344 S C -1.719 172.618 174.600 -0.438 0.000 1.225 344 S CA -1.042 56.724 58.200 -0.724 0.000 0.986 344 S CB 0.945 63.135 63.200 -1.683 0.000 1.008 344 S HN 0.352 nan 8.310 nan 0.000 0.565 345 P HA 0.014 nan 4.420 nan 0.000 0.222 345 P C 0.987 178.213 177.300 -0.122 0.000 1.147 345 P CA 1.233 64.238 63.100 -0.158 0.000 0.790 345 P CB -0.223 31.440 31.700 -0.061 0.000 0.780 346 T N -5.878 108.584 114.554 -0.153 0.000 3.186 346 T HA 0.484 4.833 4.350 -0.001 0.000 0.257 346 T C 1.363 176.004 174.700 -0.098 0.000 1.029 346 T CA 0.229 62.286 62.100 -0.072 0.000 0.916 346 T CB -0.298 68.587 68.868 0.029 0.000 1.041 346 T HN 0.207 nan 8.240 nan 0.000 0.562 347 G N 1.088 109.793 108.800 -0.158 0.000 2.234 347 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.235 347 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.235 347 G C -0.181 174.633 174.900 -0.144 0.000 0.997 347 G CA -0.222 44.801 45.100 -0.129 0.000 0.623 347 G HN 0.613 nan 8.290 nan 0.000 0.514 348 E N 0.956 121.036 120.200 -0.200 0.000 2.383 348 E HA 0.477 4.826 4.350 -0.001 0.000 0.264 348 E C 0.839 177.334 176.600 -0.174 0.000 1.050 348 E CA -0.375 55.936 56.400 -0.148 0.000 0.896 348 E CB 0.827 30.486 29.700 -0.067 0.000 0.982 348 E HN 0.252 nan 8.360 nan 0.000 0.424 349 I N 4.722 125.236 120.570 -0.094 0.000 2.396 349 I HA 0.184 4.354 4.170 -0.001 0.000 0.289 349 I C 0.469 176.534 176.117 -0.087 0.000 1.056 349 I CA 0.133 61.382 61.300 -0.086 0.000 1.365 349 I CB -1.147 36.818 38.000 -0.058 0.000 1.407 349 I HN 0.500 nan 8.210 nan 0.000 0.509 350 I N 1.798 122.318 120.570 -0.083 0.000 3.294 350 I HA 0.579 4.749 4.170 -0.001 0.000 0.311 350 I C -0.779 175.345 176.117 0.012 0.000 1.111 350 I CA -0.973 60.302 61.300 -0.041 0.000 0.976 350 I CB 1.810 39.838 38.000 0.048 0.000 1.260 350 I HN -0.018 nan 8.210 nan 0.000 0.474 351 F N 1.391 121.442 119.950 0.169 0.000 2.418 351 F HA 0.590 5.117 4.527 -0.001 0.000 0.341 351 F C 1.196 177.073 175.800 0.129 0.000 1.120 351 F CA 0.016 58.117 58.000 0.168 0.000 1.232 351 F CB 1.101 40.229 39.000 0.214 0.000 1.175 351 F HN 0.615 nan 8.300 nan 0.000 0.569 352 G N -0.038 108.965 108.800 0.339 0.000 2.531 352 G HA2 0.577 4.536 3.960 -0.001 0.000 0.313 352 G HA3 0.577 4.536 3.960 -0.001 0.000 0.313 352 G C -0.048 174.922 174.900 0.116 0.000 1.238 352 G CA -0.076 45.122 45.100 0.163 0.000 0.994 352 G HN 1.153 nan 8.290 nan 0.000 0.493 353 G N -1.153 107.675 108.800 0.047 0.000 2.610 353 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.304 353 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.304 353 G C 0.631 175.554 174.900 0.038 0.000 1.309 353 G CA 0.277 45.389 45.100 0.020 0.000 0.906 353 G HN 0.635 nan 8.290 nan 0.000 0.521 354 E N -0.324 119.892 120.200 0.026 0.000 2.331 354 E HA -0.107 4.243 4.350 -0.001 0.000 0.199 354 E C 2.304 178.920 176.600 0.027 0.000 1.008 354 E CA 1.426 57.834 56.400 0.013 0.000 0.843 354 E CB -0.257 29.451 29.700 0.014 0.000 0.761 354 E HN 0.527 nan 8.360 nan 0.000 0.507 355 T N 1.273 115.900 114.554 0.122 0.000 3.155 355 T HA -0.109 4.241 4.350 -0.001 0.000 0.264 355 T C 1.693 176.534 174.700 0.235 0.000 1.160 355 T CA 0.592 62.842 62.100 0.251 0.000 1.075 355 T CB -0.324 68.740 68.868 0.327 0.000 0.921 355 T HN 0.374 nan 8.240 nan 0.000 0.533 356 M N 1.375 121.053 119.600 0.131 0.000 2.460 356 M HA 0.020 4.499 4.480 -0.001 0.000 0.263 356 M C 2.092 178.498 176.300 0.176 0.000 1.071 356 M CA 1.209 56.596 55.300 0.145 0.000 1.096 356 M CB -0.618 32.016 32.600 0.056 0.000 1.408 356 M HN 0.176 nan 8.290 nan 0.000 0.463 357 R N -0.150 120.345 120.500 -0.009 0.000 2.240 357 R HA 0.067 4.407 4.340 -0.001 0.000 0.203 357 R C 0.144 176.410 176.300 -0.058 0.000 1.011 357 R CA 0.682 56.712 56.100 -0.117 0.000 1.007 357 R CB -0.408 29.630 30.300 -0.436 0.000 0.911 357 R HN 0.352 nan 8.270 nan 0.000 0.468 358 F N 1.291 121.414 119.950 0.288 0.000 2.684 358 F HA 0.232 4.759 4.527 -0.000 0.000 0.298 358 F C 1.123 177.113 175.800 0.317 0.000 1.120 358 F CA -2.055 56.105 58.000 0.266 0.000 1.332 358 F CB -0.170 38.971 39.000 0.234 0.000 0.986 358 F HN 0.191 nan 8.300 nan 0.000 0.524 359 W N 0.096 121.573 121.300 0.296 0.000 2.848 359 W HA -0.021 4.639 4.660 -0.001 0.000 0.241 359 W C -0.255 176.378 176.519 0.189 0.000 1.289 359 W CA 0.406 57.885 57.345 0.223 0.000 1.396 359 W CB -0.438 29.100 29.460 0.130 0.000 1.138 359 W HN 0.079 nan 8.180 nan 0.000 0.677 360 D N 0.487 120.755 120.400 -0.220 0.000 2.340 360 D HA 0.010 4.650 4.640 -0.001 0.000 0.217 360 D C -0.090 176.183 176.300 -0.046 0.000 1.081 360 D CA -0.109 53.670 54.000 -0.368 0.000 0.842 360 D CB -0.316 40.258 40.800 -0.377 0.000 0.934 360 D HN 0.052 nan 8.370 nan 0.000 0.511 361 F N 2.730 122.707 119.950 0.045 0.000 2.427 361 F HA 0.277 4.804 4.527 -0.001 0.000 0.352 361 F C 0.124 175.954 175.800 0.050 0.000 1.100 361 F CA -0.362 57.686 58.000 0.079 0.000 1.191 361 F CB 0.488 39.567 39.000 0.132 0.000 1.128 361 F HN -0.364 nan 8.300 nan 0.000 0.533 362 R N 4.195 123.993 120.500 -1.169 0.000 2.686 362 R HA 0.771 5.111 4.340 -0.001 0.000 0.286 362 R C -0.682 174.972 176.300 -1.078 0.000 0.969 362 R CA -1.078 54.532 56.100 -0.818 0.000 0.898 362 R CB 1.431 31.571 30.300 -0.267 0.000 1.183 362 R HN 0.929 nan 8.270 nan 0.000 0.456 363 G N 1.853 110.309 108.800 -0.574 0.000 2.733 363 G HA2 0.358 4.317 3.960 -0.001 0.000 0.297 363 G HA3 0.358 4.317 3.960 -0.001 0.000 0.297 363 G C -2.303 172.440 174.900 -0.262 0.000 1.452 363 G CA -0.974 43.873 45.100 -0.422 0.000 0.940 363 G HN 0.175 nan 8.290 nan 0.000 0.547 364 P HA -0.217 nan 4.420 nan 0.000 0.218 364 P C 1.927 179.375 177.300 0.248 0.000 1.165 364 P CA 2.489 65.623 63.100 0.057 0.000 0.922 364 P CB -0.180 31.497 31.700 -0.038 0.000 0.794 365 W N 0.651 122.138 121.300 0.312 0.000 2.350 365 W HA -0.122 4.538 4.660 -0.001 0.000 0.289 365 W C 1.641 178.247 176.519 0.144 0.000 1.215 365 W CA 0.477 57.992 57.345 0.284 0.000 1.236 365 W CB -1.702 27.872 29.460 0.192 0.000 1.130 365 W HN -0.075 nan 8.180 nan 0.000 0.541 366 L N 1.316 122.157 121.223 -0.637 0.000 2.463 366 L HA 0.125 4.465 4.340 -0.001 0.000 0.219 366 L C 2.425 179.182 176.870 -0.189 0.000 1.088 366 L CA 1.428 55.949 54.840 -0.531 0.000 0.849 366 L CB -0.576 40.857 42.059 -1.044 0.000 1.012 366 L HN -0.327 nan 8.230 nan 0.000 0.468 367 E N 0.740 120.878 120.200 -0.104 0.000 2.070 367 E HA -0.178 4.172 4.350 -0.001 0.000 0.197 367 E C -0.411 176.204 176.600 0.026 0.000 1.004 367 E CA 1.702 58.097 56.400 -0.008 0.000 0.805 367 E CB -1.881 27.874 29.700 0.092 0.000 0.744 367 E HN 0.401 nan 8.360 nan 0.000 0.451 368 P HA -0.099 nan 4.420 nan 0.000 0.227 368 P C 1.079 178.407 177.300 0.046 0.000 1.145 368 P CA 0.924 64.077 63.100 0.088 0.000 0.769 368 P CB -0.044 31.753 31.700 0.162 0.000 0.769 369 L N -2.531 118.703 121.223 0.017 0.000 2.590 369 L HA 0.140 4.480 4.340 -0.001 0.000 0.227 369 L C 1.410 178.268 176.870 -0.020 0.000 1.099 369 L CA -0.186 54.657 54.840 0.004 0.000 0.872 369 L CB 0.037 42.103 42.059 0.012 0.000 1.088 369 L HN -0.134 nan 8.230 nan 0.000 0.479 370 R N 0.341 120.825 120.500 -0.026 0.000 2.490 370 R HA 0.378 4.718 4.340 -0.001 0.000 0.280 370 R C 0.188 176.478 176.300 -0.017 0.000 1.077 370 R CA 0.180 56.260 56.100 -0.034 0.000 1.065 370 R CB 1.101 31.378 30.300 -0.039 0.000 1.003 370 R HN 0.056 nan 8.270 nan 0.000 0.470 371 G N 2.010 110.800 108.800 -0.017 0.000 2.971 371 G HA2 0.297 4.256 3.960 -0.001 0.000 0.235 371 G HA3 0.297 4.256 3.960 -0.001 0.000 0.235 371 G C -1.890 173.005 174.900 -0.008 0.000 1.351 371 G CA -0.741 44.353 45.100 -0.009 0.000 1.039 371 G HN 0.540 nan 8.290 nan 0.000 0.563 372 P HA 0.057 nan 4.420 nan 0.000 0.236 372 P C 0.198 177.499 177.300 0.001 0.000 1.177 372 P CA 0.698 63.796 63.100 -0.004 0.000 0.773 372 P CB 0.444 32.141 31.700 -0.005 0.000 0.878 373 N N -0.393 118.306 118.700 -0.001 0.000 2.200 373 N HA 0.318 5.057 4.740 -0.001 0.000 0.224 373 N C 0.552 176.061 175.510 -0.001 0.000 1.179 373 N CA 0.763 53.812 53.050 -0.001 0.000 0.877 373 N CB 0.948 39.429 38.487 -0.010 0.000 1.072 373 N HN 0.152 nan 8.380 nan 0.000 0.519 374 G N 0.192 108.994 108.800 0.003 0.000 2.661 374 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.685 374 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.685 374 G C -0.696 174.181 174.900 -0.038 0.000 1.298 374 G CA -0.964 44.135 45.100 -0.002 0.000 0.855 374 G HN 0.181 nan 8.290 nan 0.000 0.560 375 L N 0.219 121.394 121.223 -0.080 0.000 3.544 375 L HA -0.124 4.216 4.340 -0.001 0.000 0.404 375 L C 0.640 177.476 176.870 -0.058 0.000 1.080 375 L CA 0.914 55.688 54.840 -0.110 0.000 0.763 375 L CB -0.165 41.762 42.059 -0.221 0.000 1.168 375 L HN 0.782 nan 8.230 nan 0.000 0.723 376 D N 3.108 123.487 120.400 -0.035 0.000 2.280 376 D HA 0.189 4.829 4.640 -0.001 0.000 0.243 376 D C 0.681 176.978 176.300 -0.006 0.000 1.129 376 D CA -0.584 53.406 54.000 -0.015 0.000 0.848 376 D CB 1.310 42.106 40.800 -0.007 0.000 1.107 376 D HN 0.369 nan 8.370 nan 0.000 0.471 377 L N 4.431 125.653 121.223 -0.001 0.000 2.349 377 L HA -0.066 4.274 4.340 -0.001 0.000 0.220 377 L C 1.284 178.159 176.870 0.008 0.000 1.130 377 L CA 1.491 56.336 54.840 0.008 0.000 0.791 377 L CB -0.460 41.605 42.059 0.010 0.000 0.918 377 L HN 0.501 nan 8.230 nan 0.000 0.444 378 N N -0.726 117.978 118.700 0.006 0.000 2.305 378 N HA -0.085 4.655 4.740 -0.001 0.000 0.179 378 N C 1.622 177.138 175.510 0.010 0.000 1.019 378 N CA 0.902 53.957 53.050 0.008 0.000 0.869 378 N CB 0.045 38.537 38.487 0.007 0.000 1.000 378 N HN 0.423 nan 8.380 nan 0.000 0.431 379 K N 1.140 121.547 120.400 0.011 0.000 2.057 379 K HA 0.079 4.399 4.320 -0.001 0.000 0.206 379 K C 2.085 178.695 176.600 0.017 0.000 1.050 379 K CA 0.675 56.972 56.287 0.015 0.000 0.935 379 K CB -0.024 32.486 32.500 0.016 0.000 0.715 379 K HN 0.086 nan 8.250 nan 0.000 0.439 380 I N 1.330 121.913 120.570 0.020 0.000 2.335 380 I HA -0.282 3.887 4.170 -0.001 0.000 0.251 380 I C 2.313 178.442 176.117 0.020 0.000 1.129 380 I CA 1.268 62.589 61.300 0.034 0.000 1.402 380 I CB -0.099 37.931 38.000 0.050 0.000 1.069 380 I HN 0.152 nan 8.210 nan 0.000 0.424 381 K N 0.866 121.272 120.400 0.011 0.000 2.366 381 K HA -0.043 4.276 4.320 -0.001 0.000 0.198 381 K C 0.758 177.358 176.600 -0.000 0.000 1.044 381 K CA 1.083 57.371 56.287 0.001 0.000 0.973 381 K CB 0.213 32.714 32.500 0.001 0.000 0.767 381 K HN 0.523 nan 8.250 nan 0.000 0.475 382 N N -1.945 116.758 118.700 0.005 0.000 2.002 382 N HA -0.016 4.724 4.740 -0.001 0.000 0.222 382 N C -0.720 174.796 175.510 0.011 0.000 1.396 382 N CA -0.025 53.029 53.050 0.005 0.000 0.725 382 N CB 0.442 38.933 38.487 0.007 0.000 1.183 382 N HN -0.095 nan 8.380 nan 0.000 0.540 383 D N 0.844 121.251 120.400 0.012 0.000 2.469 383 D HA 0.287 4.926 4.640 -0.001 0.000 0.213 383 D C 0.399 176.702 176.300 0.005 0.000 1.135 383 D CA -0.183 53.829 54.000 0.020 0.000 0.834 383 D CB 1.106 41.924 40.800 0.029 0.000 1.009 383 D HN 0.252 nan 8.370 nan 0.000 0.507 384 I N 1.956 122.518 120.570 -0.013 0.000 2.598 384 I HA 0.010 4.180 4.170 -0.001 0.000 0.284 384 I C 0.788 176.856 176.117 -0.081 0.000 1.140 384 I CA 0.274 61.542 61.300 -0.053 0.000 1.420 384 I CB 0.197 38.173 38.000 -0.040 0.000 1.387 384 I HN -0.173 nan 8.210 nan 0.000 0.553 385 Q N 7.829 127.521 119.800 -0.181 0.000 2.226 385 Q HA 0.324 4.664 4.340 -0.001 0.000 0.256 385 Q C -1.667 174.188 176.000 -0.243 0.000 0.962 385 Q CA -1.751 53.953 55.803 -0.165 0.000 0.887 385 Q CB 1.416 30.076 28.738 -0.130 0.000 1.282 385 Q HN 0.283 nan 8.270 nan 0.000 0.449 386 P HA -0.188 nan 4.420 nan 0.000 0.216 386 P C 1.216 178.495 177.300 -0.034 0.000 1.153 386 P CA 1.598 64.675 63.100 -0.037 0.000 0.858 386 P CB -0.179 31.547 31.700 0.043 0.000 0.789 387 W N 0.086 121.386 121.300 0.000 0.000 2.387 387 W HA -0.121 4.539 4.660 -0.000 0.000 0.272 387 W C 1.236 177.745 176.519 -0.017 0.000 1.224 387 W CA 0.845 58.183 57.345 -0.011 0.000 1.210 387 W CB -1.472 27.993 29.460 0.009 0.000 1.125 387 W HN 0.137 nan 8.180 nan 0.000 0.572 388 Q N 0.796 120.131 119.800 -0.775 0.000 2.123 388 Q HA -0.145 4.195 4.340 -0.001 0.000 0.196 388 Q C 2.312 178.119 176.000 -0.323 0.000 0.958 388 Q CA 1.490 56.874 55.803 -0.697 0.000 0.841 388 Q CB -0.352 27.908 28.738 -0.796 0.000 0.915 388 Q HN 0.374 nan 8.270 nan 0.000 0.455 389 E N 1.372 121.419 120.200 -0.255 0.000 2.085 389 E HA -0.238 4.112 4.350 -0.001 0.000 0.194 389 E C 1.930 178.412 176.600 -0.197 0.000 0.994 389 E CA 1.374 57.662 56.400 -0.187 0.000 0.801 389 E CB 0.108 29.723 29.700 -0.142 0.000 0.743 389 E HN 0.299 nan 8.360 nan 0.000 0.453 390 R N -0.194 120.210 120.500 -0.160 0.000 2.193 390 R HA -0.000 4.339 4.340 -0.001 0.000 0.213 390 R C 2.247 178.405 176.300 -0.237 0.000 1.055 390 R CA 0.865 56.873 56.100 -0.152 0.000 0.995 390 R CB -0.217 30.037 30.300 -0.076 0.000 0.893 390 R HN -0.062 nan 8.270 nan 0.000 0.459 391 R N 1.942 122.261 120.500 -0.301 0.000 2.057 391 R HA 0.058 4.398 4.340 -0.001 0.000 0.229 391 R C 2.235 178.059 176.300 -0.793 0.000 1.136 391 R CA 1.889 57.650 56.100 -0.564 0.000 0.952 391 R CB -0.815 29.214 30.300 -0.453 0.000 0.848 391 R HN 0.275 nan 8.270 nan 0.000 0.430 392 A N 0.438 122.864 122.820 -0.656 0.000 1.908 392 A HA -0.086 4.234 4.320 -0.001 0.000 0.218 392 A C 2.384 179.733 177.584 -0.391 0.000 1.181 392 A CA 1.989 53.653 52.037 -0.622 0.000 0.627 392 A CB -1.119 17.656 19.000 -0.374 0.000 0.818 392 A HN 0.526 nan 8.150 nan 0.000 0.445 393 A N -0.366 122.270 122.820 -0.307 0.000 1.873 393 A HA -0.101 4.219 4.320 -0.001 0.000 0.215 393 A C 1.972 179.462 177.584 -0.157 0.000 1.186 393 A CA 2.083 53.989 52.037 -0.217 0.000 0.616 393 A CB -0.527 18.362 19.000 -0.186 0.000 0.823 393 A HN 0.554 nan 8.150 nan 0.000 0.442 394 E N -0.514 119.581 120.200 -0.174 0.000 2.012 394 E HA -0.220 4.129 4.350 -0.001 0.000 0.197 394 E C 1.788 178.466 176.600 0.130 0.000 1.007 394 E CA 1.901 58.288 56.400 -0.021 0.000 0.816 394 E CB -0.582 29.039 29.700 -0.133 0.000 0.762 394 E HN 0.597 nan 8.360 nan 0.000 0.451 395 Y N 0.194 120.380 120.300 -0.190 0.000 2.315 395 Y HA -0.144 4.406 4.550 -0.001 0.000 0.288 395 Y C 2.434 178.218 175.900 -0.194 0.000 1.154 395 Y CA 1.287 59.243 58.100 -0.239 0.000 1.229 395 Y CB -0.923 37.269 38.460 -0.447 0.000 0.980 395 Y HN 0.256 nan 8.280 nan 0.000 0.540 396 M N -0.002 119.570 119.600 -0.047 0.000 2.132 396 M HA -0.149 4.331 4.480 -0.001 0.000 0.263 396 M C 1.646 177.913 176.300 -0.055 0.000 1.065 396 M CA 2.283 57.543 55.300 -0.067 0.000 1.122 396 M CB -0.221 32.325 32.600 -0.089 0.000 1.365 396 M HN 0.310 nan 8.290 nan 0.000 0.411 397 T N -2.998 111.506 114.554 -0.082 0.000 3.272 397 T HA 0.058 4.407 4.350 -0.001 0.000 0.250 397 T C 0.461 174.902 174.700 -0.432 0.000 1.082 397 T CA 0.055 62.033 62.100 -0.204 0.000 0.968 397 T CB -0.463 68.260 68.868 -0.243 0.000 1.015 397 T HN 0.480 nan 8.240 nan 0.000 0.563 398 H N 0.136 119.166 119.070 -0.065 0.000 2.885 398 H HA 0.565 5.121 4.556 -0.000 0.000 0.237 398 H C 0.725 176.068 175.328 0.025 0.000 1.229 398 H CA -0.591 55.397 56.048 -0.100 0.000 0.947 398 H CB 0.327 30.026 29.762 -0.105 0.000 2.223 398 H HN 0.517 nan 8.280 nan 0.000 0.628 399 A N 2.540 125.406 122.820 0.076 0.000 2.448 399 A HA 0.175 4.494 4.320 -0.001 0.000 0.239 399 A C -1.620 176.030 177.584 0.109 0.000 1.080 399 A CA -0.808 51.235 52.037 0.011 0.000 0.779 399 A CB 0.006 18.993 19.000 -0.023 0.000 1.026 399 A HN 0.088 nan 8.150 nan 0.000 0.499 400 P HA 0.212 nan 4.420 nan 0.000 0.220 400 P C -1.166 176.148 177.300 0.024 0.000 1.806 400 P CA 0.332 63.426 63.100 -0.010 0.000 0.976 400 P CB -0.246 31.370 31.700 -0.139 0.000 1.952 401 L N 1.270 122.515 121.223 0.036 0.000 2.381 401 L HA 0.808 5.148 4.340 -0.001 0.000 0.274 401 L C 0.644 177.504 176.870 -0.018 0.000 0.988 401 L CA -0.155 54.693 54.840 0.013 0.000 0.824 401 L CB 1.973 44.054 42.059 0.037 0.000 1.263 401 L HN 0.272 nan 8.230 nan 0.000 0.410 402 G N 1.312 110.063 108.800 -0.083 0.000 2.506 402 G HA2 0.523 4.482 3.960 -0.001 0.000 0.292 402 G HA3 0.523 4.482 3.960 -0.001 0.000 0.292 402 G C -1.255 173.574 174.900 -0.118 0.000 1.425 402 G CA -0.265 44.776 45.100 -0.098 0.000 0.788 402 G HN 0.563 nan 8.290 nan 0.000 0.490 403 S N -0.692 114.963 115.700 -0.076 0.000 2.718 403 S HA 0.564 5.034 4.470 -0.001 0.000 0.300 403 S C 1.166 175.738 174.600 -0.047 0.000 1.117 403 S CA -0.584 57.583 58.200 -0.056 0.000 1.002 403 S CB 1.800 64.997 63.200 -0.006 0.000 1.092 403 S HN 0.894 nan 8.310 nan 0.000 0.542 404 L N 1.617 122.832 121.223 -0.013 0.000 2.043 404 L HA -0.146 4.194 4.340 -0.001 0.000 0.212 404 L C 1.958 178.922 176.870 0.157 0.000 1.075 404 L CA 2.052 56.933 54.840 0.067 0.000 0.752 404 L CB -1.102 40.998 42.059 0.069 0.000 0.891 404 L HN 0.933 nan 8.230 nan 0.000 0.432 405 N N -1.339 117.425 118.700 0.106 0.000 2.485 405 N HA -0.070 4.670 4.740 -0.001 0.000 0.199 405 N C 0.016 175.606 175.510 0.134 0.000 1.236 405 N CA 0.802 53.922 53.050 0.117 0.000 0.852 405 N CB -0.287 38.248 38.487 0.079 0.000 1.018 405 N HN 0.248 nan 8.380 nan 0.000 0.457 406 S N -0.784 115.009 115.700 0.155 0.000 3.667 406 S HA -0.104 4.366 4.470 -0.001 0.000 0.405 406 S C -0.543 174.127 174.600 0.117 0.000 0.913 406 S CA 0.334 58.629 58.200 0.159 0.000 1.288 406 S CB -1.552 61.793 63.200 0.242 0.000 0.905 406 S HN 0.345 nan 8.310 nan 0.000 0.550 407 V N 1.722 121.683 119.914 0.078 0.000 2.289 407 V HA 0.546 4.666 4.120 -0.001 0.000 0.272 407 V C 1.126 177.270 176.094 0.083 0.000 1.026 407 V CA -0.216 62.135 62.300 0.084 0.000 0.807 407 V CB 1.115 32.974 31.823 0.060 0.000 1.044 407 V HN 0.760 nan 8.190 nan 0.000 0.443 408 G N 2.778 111.668 108.800 0.151 0.000 2.321 408 G HA2 0.480 4.440 3.960 -0.001 0.000 0.237 408 G HA3 0.480 4.440 3.960 -0.001 0.000 0.237 408 G C 0.552 175.531 174.900 0.133 0.000 1.282 408 G CA 0.993 46.220 45.100 0.212 0.000 0.886 408 G HN 1.484 nan 8.290 nan 0.000 0.528 409 G N -0.191 108.671 108.800 0.104 0.000 2.318 409 G HA2 0.206 4.166 3.960 -0.001 0.000 0.367 409 G HA3 0.206 4.166 3.960 -0.001 0.000 0.367 409 G C -0.654 174.266 174.900 0.033 0.000 1.260 409 G CA -0.319 44.817 45.100 0.060 0.000 1.055 409 G HN 1.226 nan 8.290 nan 0.000 0.484 410 V N 1.445 121.373 119.914 0.023 0.000 2.686 410 V HA 0.507 4.627 4.120 -0.001 0.000 0.295 410 V C 2.079 178.178 176.094 0.009 0.000 1.057 410 V CA 0.842 63.150 62.300 0.014 0.000 1.012 410 V CB 1.102 32.932 31.823 0.012 0.000 1.006 410 V HN 2.082 nan 8.190 nan 0.000 0.477 411 A N 2.920 125.741 122.820 0.002 0.000 2.148 411 A HA -0.183 4.137 4.320 -0.001 0.000 0.222 411 A C 1.905 179.491 177.584 0.003 0.000 1.161 411 A CA 2.397 54.434 52.037 -0.000 0.000 0.662 411 A CB -0.705 18.291 19.000 -0.006 0.000 0.799 411 A HN 1.056 nan 8.150 nan 0.000 0.466 412 T N -3.207 111.350 114.554 0.004 0.000 3.086 412 T HA 0.281 4.631 4.350 -0.001 0.000 0.250 412 T C 0.572 175.277 174.700 0.007 0.000 1.074 412 T CA 0.324 62.426 62.100 0.004 0.000 0.988 412 T CB 0.022 68.891 68.868 0.002 0.000 0.988 412 T HN 0.388 nan 8.240 nan 0.000 0.530 413 E N 0.823 121.030 120.200 0.011 0.000 2.416 413 E HA 0.294 4.644 4.350 -0.001 0.000 0.254 413 E C -0.055 176.555 176.600 0.016 0.000 1.241 413 E CA -0.563 55.846 56.400 0.014 0.000 0.969 413 E CB 0.225 29.937 29.700 0.020 0.000 0.999 413 E HN 0.141 nan 8.360 nan 0.000 0.481 414 I N 2.024 122.604 120.570 0.017 0.000 2.676 414 I HA 0.220 4.390 4.170 -0.001 0.000 0.309 414 I C 0.360 176.492 176.117 0.026 0.000 0.990 414 I CA -0.655 60.656 61.300 0.019 0.000 1.168 414 I CB 1.103 39.111 38.000 0.014 0.000 1.343 414 I HN 0.507 nan 8.210 nan 0.000 0.482 415 N N 2.257 120.973 118.700 0.028 0.000 2.479 415 N HA 0.186 4.925 4.740 -0.001 0.000 0.257 415 N C 0.570 176.100 175.510 0.033 0.000 1.232 415 N CA 0.757 53.828 53.050 0.035 0.000 0.920 415 N CB 1.357 39.864 38.487 0.034 0.000 1.105 415 N HN 0.812 nan 8.380 nan 0.000 0.444 416 S N -0.797 114.928 115.700 0.042 0.000 6.924 416 S HA -0.151 4.319 4.470 -0.001 0.000 0.057 416 S C -0.201 174.428 174.600 0.049 0.000 1.385 416 S CA -0.392 57.830 58.200 0.037 0.000 1.160 416 S CB -0.482 62.732 63.200 0.024 0.000 1.302 416 S HN 0.299 nan 8.310 nan 0.000 0.521 417 V N 4.443 124.392 119.914 0.057 0.000 2.322 417 V HA 0.643 4.763 4.120 -0.001 0.000 0.258 417 V C -0.226 175.955 176.094 0.146 0.000 1.074 417 V CA -0.114 62.234 62.300 0.081 0.000 0.909 417 V CB -0.036 31.815 31.823 0.046 0.000 1.090 417 V HN 0.576 nan 8.190 nan 0.000 0.486 418 N N 6.683 125.475 118.700 0.154 0.000 2.402 418 N HA 0.335 5.075 4.740 -0.001 0.000 0.259 418 N C -1.116 174.580 175.510 0.310 0.000 1.167 418 N CA 0.029 53.191 53.050 0.186 0.000 0.949 418 N CB 0.094 38.664 38.487 0.139 0.000 1.212 418 N HN 0.704 nan 8.380 nan 0.000 0.493 419 F N 2.958 122.985 119.950 0.128 0.000 2.690 419 F HA 0.509 5.036 4.527 -0.001 0.000 0.311 419 F C -2.057 173.842 175.800 0.164 0.000 1.111 419 F CA -0.730 57.373 58.000 0.171 0.000 1.003 419 F CB 0.971 40.080 39.000 0.181 0.000 1.283 419 F HN 0.005 nan 8.300 nan 0.000 0.442 420 V N 4.421 123.847 119.914 -0.814 0.000 2.577 420 V HA 0.306 4.426 4.120 -0.001 0.000 0.294 420 V C -0.173 175.401 176.094 -0.867 0.000 1.052 420 V CA -0.895 60.919 62.300 -0.810 0.000 0.891 420 V CB 1.459 33.017 31.823 -0.441 0.000 1.017 420 V HN 0.951 nan 8.190 nan 0.000 0.436 421 S N 6.222 121.349 115.700 -0.956 0.000 2.642 421 S HA 0.047 4.517 4.470 -0.001 0.000 0.308 421 S C -1.127 173.490 174.600 0.028 0.000 1.255 421 S CA -0.088 57.945 58.200 -0.278 0.000 1.057 421 S CB 0.908 64.072 63.200 -0.060 0.000 0.785 421 S HN 0.617 nan 8.310 nan 0.000 0.500 422 P HA -0.092 nan 4.420 nan 0.000 0.217 422 P C 1.168 178.663 177.300 0.325 0.000 1.148 422 P CA 1.206 64.557 63.100 0.418 0.000 0.828 422 P CB 0.105 32.080 31.700 0.459 0.000 0.783 423 R N -1.159 119.459 120.500 0.197 0.000 2.115 423 R HA -0.020 4.319 4.340 -0.001 0.000 0.230 423 R C 2.355 178.794 176.300 0.232 0.000 1.111 423 R CA 1.303 57.470 56.100 0.112 0.000 0.976 423 R CB -0.624 29.636 30.300 -0.067 0.000 0.870 423 R HN 0.166 nan 8.270 nan 0.000 0.445 424 S N -0.421 115.374 115.700 0.158 0.000 2.362 424 S HA -0.092 4.378 4.470 -0.001 0.000 0.221 424 S C 1.385 175.964 174.600 -0.035 0.000 1.032 424 S CA 0.771 59.010 58.200 0.065 0.000 0.973 424 S CB -0.140 62.949 63.200 -0.185 0.000 0.849 424 S HN 0.380 nan 8.310 nan 0.000 0.465 425 W N 1.910 123.253 121.300 0.072 0.000 2.329 425 W HA -0.099 4.561 4.660 -0.000 0.000 0.324 425 W C 2.084 178.659 176.519 0.093 0.000 1.222 425 W CA 0.566 57.955 57.345 0.073 0.000 1.270 425 W CB -0.749 28.762 29.460 0.084 0.000 1.167 425 W HN 0.219 nan 8.180 nan 0.000 0.467 426 L N 0.151 121.583 121.223 0.349 0.000 1.963 426 L HA -0.339 4.000 4.340 -0.001 0.000 0.220 426 L C 2.685 179.627 176.870 0.119 0.000 1.076 426 L CA 1.745 56.686 54.840 0.169 0.000 0.772 426 L CB -1.536 40.559 42.059 0.060 0.000 0.892 426 L HN 0.084 nan 8.230 nan 0.000 0.435 427 A N -0.104 122.773 122.820 0.095 0.000 1.927 427 A HA -0.292 4.028 4.320 -0.001 0.000 0.220 427 A C 2.414 180.049 177.584 0.085 0.000 1.185 427 A CA 2.851 54.925 52.037 0.062 0.000 0.639 427 A CB -1.155 17.829 19.000 -0.027 0.000 0.820 427 A HN 0.626 nan 8.150 nan 0.000 0.451 428 T N -1.833 112.761 114.554 0.066 0.000 2.732 428 T HA -0.159 4.191 4.350 -0.001 0.000 0.261 428 T C 2.155 176.978 174.700 0.205 0.000 1.040 428 T CA 2.058 64.208 62.100 0.083 0.000 1.145 428 T CB -1.110 67.768 68.868 0.017 0.000 0.866 428 T HN 0.794 nan 8.240 nan 0.000 0.427 429 S N 2.100 117.956 115.700 0.259 0.000 2.372 429 S HA -0.299 4.170 4.470 -0.001 0.000 0.227 429 S C 1.951 176.667 174.600 0.194 0.000 1.044 429 S CA 1.807 60.159 58.200 0.253 0.000 1.050 429 S CB -1.221 62.174 63.200 0.325 0.000 0.901 429 S HN 0.695 nan 8.310 nan 0.000 0.447 430 H N -0.328 118.790 119.070 0.080 0.000 2.524 430 H HA 0.273 4.829 4.556 -0.001 0.000 0.282 430 H C 1.478 176.813 175.328 0.012 0.000 1.016 430 H CA 0.769 56.828 56.048 0.019 0.000 1.270 430 H CB -0.429 29.355 29.762 0.036 0.000 1.394 430 H HN 0.578 nan 8.280 nan 0.000 0.568 431 F N 0.003 120.012 119.950 0.098 0.000 2.270 431 F HA -0.074 4.453 4.527 -0.001 0.000 0.295 431 F C 1.940 177.778 175.800 0.063 0.000 1.087 431 F CA 0.478 58.537 58.000 0.099 0.000 1.365 431 F CB -0.237 38.823 39.000 0.100 0.000 1.056 431 F HN -0.085 nan 8.300 nan 0.000 0.506 432 V N 0.959 120.975 119.914 0.170 0.000 2.261 432 V HA -0.322 3.797 4.120 -0.001 0.000 0.246 432 V C 2.447 178.583 176.094 0.071 0.000 1.047 432 V CA 2.133 64.503 62.300 0.117 0.000 1.015 432 V CB -0.887 31.045 31.823 0.182 0.000 0.642 432 V HN 0.338 nan 8.190 nan 0.000 0.446 433 L N 0.146 121.353 121.223 -0.027 0.000 1.989 433 L HA -0.195 4.144 4.340 -0.001 0.000 0.211 433 L C 2.820 179.512 176.870 -0.297 0.000 1.071 433 L CA 1.776 56.522 54.840 -0.157 0.000 0.749 433 L CB -0.965 40.847 42.059 -0.411 0.000 0.890 433 L HN 0.364 nan 8.230 nan 0.000 0.431 434 A N -0.096 122.442 122.820 -0.471 0.000 1.903 434 A HA -0.311 4.009 4.320 -0.001 0.000 0.219 434 A C 2.153 179.326 177.584 -0.686 0.000 1.191 434 A CA 2.140 53.717 52.037 -0.767 0.000 0.638 434 A CB -0.963 17.289 19.000 -1.247 0.000 0.823 434 A HN 0.417 nan 8.150 nan 0.000 0.451 435 F N -0.518 119.039 119.950 -0.655 0.000 2.014 435 F HA -0.130 4.397 4.527 -0.001 0.000 0.295 435 F C 1.956 177.701 175.800 -0.092 0.000 1.145 435 F CA 1.836 59.635 58.000 -0.335 0.000 1.178 435 F CB -0.809 37.946 39.000 -0.410 0.000 0.972 435 F HN 0.198 nan 8.300 nan 0.000 0.476 436 F N 0.100 119.991 119.950 -0.099 0.000 2.176 436 F HA -0.273 4.254 4.527 -0.001 0.000 0.301 436 F C 2.364 178.101 175.800 -0.104 0.000 1.071 436 F CA 1.610 59.523 58.000 -0.146 0.000 1.289 436 F CB -1.460 37.588 39.000 0.080 0.000 1.028 436 F HN 0.048 nan 8.300 nan 0.000 0.494 437 F N -1.194 118.700 119.950 -0.095 0.000 2.234 437 F HA -0.186 4.340 4.527 -0.001 0.000 0.299 437 F C 2.247 177.995 175.800 -0.086 0.000 1.087 437 F CA 0.268 58.213 58.000 -0.092 0.000 1.340 437 F CB -0.289 38.640 39.000 -0.118 0.000 1.031 437 F HN -0.054 nan 8.300 nan 0.000 0.500 438 L N -0.523 120.693 121.223 -0.012 0.000 2.201 438 L HA -0.100 4.239 4.340 -0.001 0.000 0.212 438 L C 1.889 178.728 176.870 -0.052 0.000 1.105 438 L CA 1.220 56.069 54.840 0.015 0.000 0.775 438 L CB -0.463 41.609 42.059 0.022 0.000 0.913 438 L HN -0.086 nan 8.230 nan 0.000 0.440 439 V N -0.197 119.583 119.914 -0.222 0.000 2.346 439 V HA -0.094 4.026 4.120 -0.001 0.000 0.244 439 V C 2.607 178.659 176.094 -0.070 0.000 1.037 439 V CA 1.577 63.775 62.300 -0.169 0.000 1.029 439 V CB -1.318 30.386 31.823 -0.197 0.000 0.663 439 V HN 0.582 nan 8.190 nan 0.000 0.454 440 G N -0.534 108.200 108.800 -0.111 0.000 2.469 440 G HA2 -0.394 3.566 3.960 -0.001 0.000 0.219 440 G HA3 -0.394 3.566 3.960 -0.001 0.000 0.219 440 G C 1.409 176.312 174.900 0.006 0.000 1.150 440 G CA 1.640 46.647 45.100 -0.155 0.000 0.763 440 G HN 0.649 nan 8.290 nan 0.000 0.561 441 H N 0.927 119.974 119.070 -0.039 0.000 2.253 441 H HA -0.005 4.551 4.556 -0.000 0.000 0.296 441 H C 2.616 177.973 175.328 0.049 0.000 1.067 441 H CA 1.850 57.915 56.048 0.028 0.000 1.245 441 H CB -0.804 28.985 29.762 0.045 0.000 1.364 441 H HN 0.229 nan 8.280 nan 0.000 0.494 442 L N -0.716 120.350 121.223 -0.262 0.000 2.010 442 L HA -0.310 4.030 4.340 -0.001 0.000 0.219 442 L C 2.785 179.574 176.870 -0.135 0.000 1.077 442 L CA 1.898 56.575 54.840 -0.272 0.000 0.773 442 L CB -0.810 41.192 42.059 -0.096 0.000 0.892 442 L HN 0.527 nan 8.230 nan 0.000 0.436 443 W N 0.636 121.795 121.300 -0.235 0.000 2.333 443 W HA -0.229 4.431 4.660 -0.001 0.000 0.316 443 W C 2.634 179.008 176.519 -0.243 0.000 1.215 443 W CA 1.775 58.968 57.345 -0.254 0.000 1.278 443 W CB -0.554 28.704 29.460 -0.338 0.000 1.154 443 W HN 0.295 nan 8.180 nan 0.000 0.486 444 H N 0.198 119.308 119.070 0.066 0.000 2.495 444 H HA 0.001 4.556 4.556 -0.000 0.000 0.287 444 H C 2.285 177.493 175.328 -0.201 0.000 1.033 444 H CA 1.604 57.603 56.048 -0.082 0.000 1.307 444 H CB -0.703 29.039 29.762 -0.032 0.000 1.401 444 H HN 0.237 nan 8.280 nan 0.000 0.555 445 A N 0.194 122.960 122.820 -0.091 0.000 1.930 445 A HA 0.041 4.360 4.320 -0.001 0.000 0.215 445 A C 2.762 180.243 177.584 -0.173 0.000 1.176 445 A CA 1.100 53.056 52.037 -0.134 0.000 0.632 445 A CB -0.731 18.147 19.000 -0.203 0.000 0.819 445 A HN 0.420 nan 8.150 nan 0.000 0.445 446 G N -0.326 108.341 108.800 -0.221 0.000 2.408 446 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.217 446 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.217 446 G C 1.696 176.431 174.900 -0.275 0.000 1.150 446 G CA 1.138 46.100 45.100 -0.229 0.000 0.776 446 G HN 0.507 nan 8.290 nan 0.000 0.542 447 R N 0.862 121.154 120.500 -0.348 0.000 2.073 447 R HA 0.182 4.522 4.340 -0.001 0.000 0.229 447 R C 2.775 178.918 176.300 -0.262 0.000 1.120 447 R CA 1.666 57.562 56.100 -0.340 0.000 0.967 447 R CB -0.677 29.408 30.300 -0.358 0.000 0.862 447 R HN 0.207 nan 8.270 nan 0.000 0.436 448 A N 0.722 123.400 122.820 -0.236 0.000 1.902 448 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 448 A C 2.072 179.520 177.584 -0.226 0.000 1.181 448 A CA 1.337 53.230 52.037 -0.241 0.000 0.623 448 A CB -0.455 18.383 19.000 -0.270 0.000 0.818 448 A HN 0.196 nan 8.150 nan 0.000 0.443 449 R N -0.564 119.816 120.500 -0.201 0.000 2.115 449 R HA -0.006 4.334 4.340 -0.001 0.000 0.230 449 R C 2.254 178.355 176.300 -0.332 0.000 1.111 449 R CA 1.299 57.288 56.100 -0.185 0.000 0.976 449 R CB -0.792 29.442 30.300 -0.110 0.000 0.870 449 R HN 0.545 nan 8.270 nan 0.000 0.445 450 A N 0.438 123.002 122.820 -0.427 0.000 1.975 450 A HA 0.141 4.460 4.320 -0.001 0.000 0.215 450 A C 2.279 179.424 177.584 -0.732 0.000 1.170 450 A CA 1.086 52.624 52.037 -0.832 0.000 0.656 450 A CB -0.271 18.430 19.000 -0.498 0.000 0.821 450 A HN 0.278 nan 8.150 nan 0.000 0.449 451 A N 0.465 123.043 122.820 -0.405 0.000 1.845 451 A HA 0.180 4.500 4.320 -0.001 0.000 0.215 451 A C 2.475 179.909 177.584 -0.250 0.000 1.195 451 A CA 2.153 54.026 52.037 -0.274 0.000 0.616 451 A CB -1.284 17.598 19.000 -0.198 0.000 0.832 451 A HN 0.995 nan 8.150 nan 0.000 0.443 452 A N -0.020 122.664 122.820 -0.227 0.000 1.908 452 A HA 0.042 4.362 4.320 -0.001 0.000 0.211 452 A C 2.546 180.040 177.584 -0.151 0.000 1.225 452 A CA 2.933 54.884 52.037 -0.143 0.000 0.689 452 A CB -1.572 17.366 19.000 -0.102 0.000 0.843 452 A HN 1.462 nan 8.150 nan 0.000 0.472 453 A N -1.796 120.916 122.820 -0.179 0.000 2.054 453 A HA 0.210 4.529 4.320 -0.001 0.000 0.223 453 A C 2.024 179.555 177.584 -0.087 0.000 1.169 453 A CA 2.079 54.073 52.037 -0.072 0.000 0.655 453 A CB -1.506 17.534 19.000 0.066 0.000 0.812 453 A HN 2.605 nan 8.150 nan 0.000 0.462 454 G N -2.218 106.384 108.800 -0.330 0.000 2.545 454 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.279 454 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.279 454 G C 0.005 174.895 174.900 -0.017 0.000 1.131 454 G CA 0.204 45.200 45.100 -0.173 0.000 1.100 454 G HN 1.456 nan 8.290 nan 0.000 0.525 455 F N -1.673 118.259 119.950 -0.029 0.000 2.993 455 F HA 0.333 4.859 4.527 -0.000 0.000 0.338 455 F C 1.327 177.104 175.800 -0.038 0.000 1.199 455 F CA -0.121 57.861 58.000 -0.029 0.000 1.069 455 F CB -0.096 38.887 39.000 -0.027 0.000 1.294 455 F HN 0.212 nan 8.300 nan 0.000 0.513 456 E N 2.379 122.523 120.200 -0.094 0.000 2.495 456 E HA -0.116 4.233 4.350 -0.001 0.000 0.204 456 E C 0.151 176.743 176.600 -0.012 0.000 1.163 456 E CA 0.666 57.017 56.400 -0.082 0.000 0.922 456 E CB -0.321 29.282 29.700 -0.162 0.000 0.918 456 E HN 0.655 nan 8.360 nan 0.000 0.537 457 K N -0.325 120.094 120.400 0.032 0.000 2.553 457 K HA 0.338 4.658 4.320 -0.001 0.000 0.205 457 K C 0.044 176.673 176.600 0.049 0.000 1.168 457 K CA 0.270 56.578 56.287 0.035 0.000 1.043 457 K CB 1.676 34.188 32.500 0.020 0.000 0.967 457 K HN 0.226 nan 8.250 nan 0.000 0.585 458 G N 1.212 110.055 108.800 0.072 0.000 2.334 458 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.566 458 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.566 458 G C -1.275 173.665 174.900 0.065 0.000 1.413 458 G CA -1.203 43.933 45.100 0.061 0.000 0.993 458 G HN 0.024 nan 8.290 nan 0.000 0.642 459 I N 1.188 121.776 120.570 0.030 0.000 2.441 459 I HA 0.152 4.322 4.170 -0.001 0.000 0.287 459 I C 0.456 176.575 176.117 0.004 0.000 1.049 459 I CA -0.429 60.870 61.300 -0.002 0.000 1.381 459 I CB 1.181 39.164 38.000 -0.029 0.000 1.409 459 I HN 0.493 nan 8.210 nan 0.000 0.523 460 D N 7.078 127.478 120.400 -0.000 0.000 2.368 460 D HA -0.056 4.584 4.640 -0.001 0.000 0.268 460 D C 1.368 177.665 176.300 -0.005 0.000 1.298 460 D CA 0.160 54.163 54.000 0.004 0.000 0.938 460 D CB 0.665 41.467 40.800 0.004 0.000 1.101 460 D HN 0.416 nan 8.370 nan 0.000 0.509 461 R N 3.019 123.519 120.500 0.000 0.000 2.134 461 R HA -0.275 4.064 4.340 -0.001 0.000 0.248 461 R C 1.988 178.285 176.300 -0.006 0.000 1.143 461 R CA 2.274 58.372 56.100 -0.002 0.000 0.957 461 R CB -0.801 29.500 30.300 0.002 0.000 0.867 461 R HN 0.742 nan 8.270 nan 0.000 0.441 462 E N 0.862 121.060 120.200 -0.004 0.000 1.996 462 E HA -0.106 4.244 4.350 -0.001 0.000 0.197 462 E C 1.038 177.632 176.600 -0.010 0.000 1.002 462 E CA 1.304 57.701 56.400 -0.005 0.000 0.840 462 E CB -0.781 28.918 29.700 -0.002 0.000 0.786 462 E HN 0.513 nan 8.360 nan 0.000 0.469 463 S N 0.933 116.626 115.700 -0.011 0.000 3.530 463 S HA 0.305 4.775 4.470 -0.001 0.000 0.279 463 S C -0.135 174.446 174.600 -0.031 0.000 1.280 463 S CA 0.130 58.319 58.200 -0.018 0.000 0.946 463 S CB 0.086 63.278 63.200 -0.014 0.000 1.501 463 S HN 0.472 nan 8.310 nan 0.000 0.498 464 E N 4.921 125.102 120.200 -0.033 0.000 1.941 464 E HA 0.208 4.558 4.350 -0.001 0.000 0.275 464 E C -1.160 175.405 176.600 -0.057 0.000 1.113 464 E CA -2.451 53.922 56.400 -0.046 0.000 0.878 464 E CB 0.602 30.280 29.700 -0.035 0.000 1.070 464 E HN 0.407 nan 8.360 nan 0.000 0.399 465 P HA -0.329 nan 4.420 nan 0.000 0.221 465 P C 1.391 178.649 177.300 -0.070 0.000 1.160 465 P CA 1.362 64.408 63.100 -0.089 0.000 0.933 465 P CB 0.047 31.659 31.700 -0.147 0.000 0.793 466 V N 0.085 119.955 119.914 -0.073 0.000 2.370 466 V HA -0.225 3.895 4.120 -0.001 0.000 0.252 466 V C 2.786 178.856 176.094 -0.040 0.000 1.068 466 V CA 1.659 63.926 62.300 -0.055 0.000 1.061 466 V CB -1.297 30.496 31.823 -0.051 0.000 0.656 466 V HN 0.067 nan 8.190 nan 0.000 0.455 467 L N -0.134 121.067 121.223 -0.037 0.000 2.549 467 L HA -0.064 4.276 4.340 -0.001 0.000 0.229 467 L C 1.826 178.682 176.870 -0.024 0.000 1.158 467 L CA 0.879 55.703 54.840 -0.027 0.000 0.842 467 L CB -0.155 41.889 42.059 -0.024 0.000 0.952 467 L HN 0.314 nan 8.230 nan 0.000 0.452 468 S N -0.973 114.711 115.700 -0.028 0.000 2.539 468 S HA 0.309 4.779 4.470 -0.001 0.000 0.221 468 S C 0.465 175.052 174.600 -0.022 0.000 0.987 468 S CA -0.168 58.019 58.200 -0.023 0.000 0.929 468 S CB 0.210 63.396 63.200 -0.025 0.000 0.832 468 S HN 0.203 nan 8.310 nan 0.000 0.492 469 M N 2.991 122.576 119.600 -0.024 0.000 2.363 469 M HA 0.422 4.901 4.480 -0.001 0.000 0.343 469 M C -2.490 173.800 176.300 -0.017 0.000 1.165 469 M CA -2.130 53.157 55.300 -0.022 0.000 1.046 469 M CB 0.230 32.814 32.600 -0.027 0.000 1.648 469 M HN -0.137 nan 8.290 nan 0.000 0.452 470 P HA 0.014 nan 4.420 nan 0.000 0.267 470 P C -0.490 176.803 177.300 -0.012 0.000 1.200 470 P CA -0.094 62.999 63.100 -0.011 0.000 0.772 470 P CB 0.709 32.403 31.700 -0.009 0.000 0.855 471 S N 0.931 116.625 115.700 -0.010 0.000 2.505 471 S HA 0.148 4.618 4.470 -0.001 0.000 0.276 471 S C 1.344 175.939 174.600 -0.009 0.000 1.274 471 S CA -0.769 57.425 58.200 -0.010 0.000 1.053 471 S CB -0.288 62.906 63.200 -0.009 0.000 0.919 471 S HN 0.314 nan 8.310 nan 0.000 0.490 472 L N 4.222 125.439 121.223 -0.009 0.000 2.202 472 L HA 0.256 4.596 4.340 -0.001 0.000 0.205 472 L C 1.044 177.910 176.870 -0.007 0.000 1.083 472 L CA 0.373 55.208 54.840 -0.008 0.000 0.790 472 L CB -1.728 40.326 42.059 -0.008 0.000 0.942 472 L HN 0.830 nan 8.230 nan 0.000 0.452 473 D N 0.000 120.396 120.400 -0.007 0.000 6.856 473 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 473 D CA 0.000 53.996 54.000 -0.006 0.000 0.868 473 D CB 0.000 40.797 40.800 -0.006 0.000 0.688 473 D HN 0.000 nan 8.370 nan 0.000 0.683