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 1dnv_1_A DATA FIRST_RESID 22 DATA SEQUENCE VYIIPRPFSN FGKKLSTYTK SHKFMIFGLA NNVIGPTGTG TTAVNRLLTT DATA SEQUENCE CLAEIPWQKL PLYMNQSEFD LLPPGSRVVE CNVKVIFRTN RIAFETSSTV DATA SEQUENCE TKQATLNQIS NVQTAIGLNK LGWGINRAFT AFQSDQPMIP TATTAPKYEP DATA SEQUENCE VTGDTGYRGM IADYYGADST NDTAFGNAGN YPHHQVSSFT FLQNYYCMYQ DATA SEQUENCE QTNQGTGGWP CLAEHLQQFD SKTVNNQCLI DVTYKPKMGL IKSPLNYKII DATA SEQUENCE GQPTVKGTIS VGDNLVNMRG AVVTNPPEAT QNVAESTHNL TRNFPADLFN DATA SEQUENCE IYSDIEKSQV LHKGPWGHEN PQIQPSVHIG IQAVPALTTG ALLINSSPLN DATA SEQUENCE SWTDSMGYID VMSSCTVMEA QPTHFPFSTE ANTNPGNTIY RINLTPNSLT DATA SEQUENCE SAFNGLYGNG ATLGN 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 22 V HA 0.000 nan 4.120 nan 0.000 0.244 22 V C 0.000 176.199 176.094 0.176 0.000 1.182 22 V CA 0.000 62.352 62.300 0.087 0.000 1.235 22 V CB 0.000 31.855 31.823 0.054 0.000 1.184 23 Y N 1.946 122.245 120.300 -0.002 0.000 2.252 23 Y HA 0.582 5.131 4.550 -0.000 0.000 0.321 23 Y C -1.353 174.546 175.900 -0.001 0.000 1.208 23 Y CA -0.766 57.333 58.100 -0.002 0.000 1.258 23 Y CB 0.641 39.101 38.460 -0.001 0.000 1.235 23 Y HN 0.573 nan 8.280 nan 0.000 0.408 24 I N 6.582 126.977 120.570 -0.293 0.000 2.385 24 I HA 0.380 4.550 4.170 -0.000 0.000 0.294 24 I C -0.012 175.761 176.117 -0.573 0.000 0.988 24 I CA -0.825 60.270 61.300 -0.342 0.000 1.265 24 I CB 1.390 39.293 38.000 -0.161 0.000 1.388 24 I HN 0.540 nan 8.210 nan 0.000 0.480 25 I N 7.998 128.261 120.570 -0.512 0.000 2.352 25 I HA 0.183 4.353 4.170 -0.000 0.000 0.290 25 I C -1.745 174.255 176.117 -0.195 0.000 1.036 25 I CA -1.664 59.393 61.300 -0.405 0.000 1.336 25 I CB 0.780 38.615 38.000 -0.275 0.000 1.407 25 I HN 0.313 nan 8.210 nan 0.000 0.497 26 P HA 0.085 nan 4.420 nan 0.000 0.271 26 P C -0.419 176.856 177.300 -0.041 0.000 1.226 26 P CA -0.348 62.712 63.100 -0.068 0.000 0.765 26 P CB 0.453 32.132 31.700 -0.034 0.000 0.835 27 R N 3.871 124.348 120.500 -0.037 0.000 2.726 27 R HA 0.399 4.739 4.340 -0.000 0.000 0.272 27 R C -2.226 174.086 176.300 0.019 0.000 1.097 27 R CA -1.172 54.920 56.100 -0.013 0.000 1.198 27 R CB -1.616 28.674 30.300 -0.018 0.000 1.114 27 R HN 0.279 nan 8.270 nan 0.000 0.550 28 P HA 0.329 nan 4.420 nan 0.000 0.279 28 P C -1.258 176.151 177.300 0.181 0.000 1.282 28 P CA -0.316 62.830 63.100 0.077 0.000 0.788 28 P CB 0.288 32.016 31.700 0.046 0.000 1.139 29 F N -1.078 118.831 119.950 -0.068 0.000 2.680 29 F HA 0.391 4.918 4.527 -0.000 0.000 0.315 29 F C -1.829 173.880 175.800 -0.151 0.000 1.099 29 F CA -0.660 57.292 58.000 -0.080 0.000 1.033 29 F CB 0.760 39.719 39.000 -0.067 0.000 1.285 29 F HN 0.163 nan 8.300 nan 0.000 0.457 30 S N 5.096 120.586 115.700 -0.349 0.000 2.746 30 S HA 0.315 4.785 4.470 -0.000 0.000 0.273 30 S C -1.016 172.928 174.600 -1.093 0.000 1.172 30 S CA -0.758 56.959 58.200 -0.804 0.000 1.116 30 S CB 0.943 63.795 63.200 -0.580 0.000 1.057 30 S HN 0.636 nan 8.310 nan 0.000 0.483 31 N N 3.125 120.936 118.700 -1.481 0.000 2.439 31 N HA 0.319 5.059 4.740 -0.000 0.000 0.249 31 N C -1.412 173.671 175.510 -0.712 0.000 1.003 31 N CA -0.260 52.202 53.050 -0.981 0.000 0.942 31 N CB 0.403 38.325 38.487 -0.942 0.000 1.115 31 N HN 0.281 nan 8.380 nan 0.000 0.505 32 F N 1.763 121.630 119.950 -0.137 0.000 2.411 32 F HA 0.338 4.865 4.527 -0.000 0.000 0.355 32 F C 1.518 177.283 175.800 -0.059 0.000 1.117 32 F CA -0.460 57.486 58.000 -0.091 0.000 1.139 32 F CB 1.054 40.026 39.000 -0.047 0.000 1.120 32 F HN 0.337 nan 8.300 nan 0.000 0.493 33 G N 2.500 111.334 108.800 0.055 0.000 2.634 33 G HA2 0.264 4.223 3.960 -0.000 0.000 0.255 33 G HA3 0.264 4.223 3.960 -0.000 0.000 0.255 33 G C -1.020 173.913 174.900 0.056 0.000 1.205 33 G CA -0.678 44.442 45.100 0.034 0.000 0.884 33 G HN 0.571 nan 8.290 nan 0.000 0.549 34 K N 0.317 120.736 120.400 0.031 0.000 2.394 34 K HA 0.277 4.597 4.320 -0.000 0.000 0.260 34 K C -0.180 176.427 176.600 0.010 0.000 0.967 34 K CA -0.553 55.748 56.287 0.023 0.000 0.855 34 K CB 0.878 33.389 32.500 0.019 0.000 1.101 34 K HN 0.332 nan 8.250 nan 0.000 0.433 35 K N 3.542 123.948 120.400 0.010 0.000 2.298 35 K HA 0.223 4.543 4.320 -0.000 0.000 0.280 35 K C -0.829 175.771 176.600 -0.001 0.000 1.032 35 K CA -0.255 56.034 56.287 0.003 0.000 0.958 35 K CB 0.681 33.187 32.500 0.009 0.000 0.978 35 K HN 0.397 nan 8.250 nan 0.000 0.472 36 L N 2.705 123.920 121.223 -0.013 0.000 2.491 36 L HA 0.313 4.653 4.340 -0.000 0.000 0.267 36 L C -1.160 175.677 176.870 -0.056 0.000 0.971 36 L CA -0.119 54.708 54.840 -0.022 0.000 0.857 36 L CB 1.660 43.706 42.059 -0.021 0.000 1.226 36 L HN 0.638 nan 8.230 nan 0.000 0.408 37 S N 2.096 117.746 115.700 -0.083 0.000 2.768 37 S HA 0.893 5.363 4.470 -0.000 0.000 0.300 37 S C -0.196 174.206 174.600 -0.329 0.000 1.122 37 S CA -0.390 57.673 58.200 -0.227 0.000 0.995 37 S CB 2.045 65.078 63.200 -0.278 0.000 1.195 37 S HN 0.756 nan 8.310 nan 0.000 0.547 38 T N -0.794 113.390 114.554 -0.616 0.000 2.889 38 T HA 0.702 5.052 4.350 -0.000 0.000 0.315 38 T C -1.970 172.323 174.700 -0.677 0.000 1.291 38 T CA -0.611 61.219 62.100 -0.449 0.000 1.028 38 T CB 0.721 69.479 68.868 -0.183 0.000 1.235 38 T HN 0.455 nan 8.240 nan 0.000 0.491 39 Y N -0.040 120.316 120.300 0.094 0.000 2.562 39 Y HA 0.803 5.353 4.550 -0.000 0.000 0.345 39 Y C 0.325 176.292 175.900 0.112 0.000 1.045 39 Y CA -0.693 57.469 58.100 0.104 0.000 1.028 39 Y CB 2.673 41.217 38.460 0.140 0.000 1.297 39 Y HN 1.157 nan 8.280 nan 0.000 0.463 40 T N 0.810 115.503 114.554 0.231 0.000 2.889 40 T HA 0.834 5.183 4.350 -0.000 0.000 0.315 40 T C -2.007 172.729 174.700 0.060 0.000 1.291 40 T CA -0.933 61.238 62.100 0.119 0.000 1.028 40 T CB 1.757 70.666 68.868 0.068 0.000 1.235 40 T HN 0.638 nan 8.240 nan 0.000 0.491 41 K N 1.521 121.892 120.400 -0.049 0.000 2.580 41 K HA 0.354 4.674 4.320 -0.000 0.000 0.258 41 K C -1.295 175.109 176.600 -0.327 0.000 0.936 41 K CA -0.812 55.417 56.287 -0.097 0.000 0.852 41 K CB 1.881 34.126 32.500 -0.425 0.000 1.329 41 K HN 0.540 nan 8.250 nan 0.000 0.430 42 S N 2.494 118.097 115.700 -0.161 0.000 2.485 42 S HA 0.187 4.657 4.470 -0.000 0.000 0.312 42 S C -0.704 173.682 174.600 -0.358 0.000 1.102 42 S CA -0.324 57.716 58.200 -0.267 0.000 1.066 42 S CB -0.330 62.746 63.200 -0.206 0.000 1.102 42 S HN 0.482 nan 8.310 nan 0.000 0.519 43 H N 2.993 121.839 119.070 -0.373 0.000 2.472 43 H HA 0.418 4.973 4.556 -0.000 0.000 0.335 43 H C -0.054 174.775 175.328 -0.831 0.000 1.136 43 H CA -0.739 54.860 56.048 -0.748 0.000 1.264 43 H CB 0.989 29.930 29.762 -1.369 0.000 1.486 43 H HN 0.359 nan 8.280 nan 0.000 0.517 44 K N 3.707 123.749 120.400 -0.596 0.000 2.527 44 K HA 0.207 4.527 4.320 -0.000 0.000 0.240 44 K C -1.289 175.192 176.600 -0.199 0.000 0.989 44 K CA -0.453 55.623 56.287 -0.352 0.000 0.985 44 K CB 0.795 32.963 32.500 -0.554 0.000 1.221 44 K HN 0.257 nan 8.250 nan 0.000 0.458 45 F N 1.961 121.970 119.950 0.099 0.000 2.399 45 F HA 0.500 5.027 4.527 -0.000 0.000 0.328 45 F C 0.576 176.410 175.800 0.055 0.000 1.084 45 F CA -0.894 57.140 58.000 0.057 0.000 1.053 45 F CB 0.980 40.026 39.000 0.078 0.000 1.209 45 F HN 0.148 nan 8.300 nan 0.000 0.502 46 M N 3.914 123.604 119.600 0.151 0.000 2.393 46 M HA 0.502 4.982 4.480 -0.000 0.000 0.299 46 M C -1.369 174.933 176.300 0.002 0.000 1.103 46 M CA -0.667 54.597 55.300 -0.060 0.000 0.910 46 M CB 2.562 34.897 32.600 -0.441 0.000 1.659 46 M HN 0.214 nan 8.290 nan 0.000 0.445 47 I N 1.569 122.112 120.570 -0.045 0.000 2.957 47 I HA 0.615 4.785 4.170 -0.000 0.000 0.310 47 I C -0.768 175.273 176.117 -0.126 0.000 1.063 47 I CA -0.888 60.445 61.300 0.055 0.000 1.033 47 I CB 1.813 39.804 38.000 -0.015 0.000 1.230 47 I HN 0.536 nan 8.210 nan 0.000 0.447 48 F N 0.416 120.590 119.950 0.373 0.000 2.556 48 F HA 0.625 5.152 4.527 -0.000 0.000 0.327 48 F C 1.005 176.910 175.800 0.175 0.000 1.059 48 F CA -0.800 57.364 58.000 0.273 0.000 0.953 48 F CB 1.694 40.871 39.000 0.295 0.000 1.227 48 F HN 0.469 nan 8.300 nan 0.000 0.478 49 G N 3.594 112.572 108.800 0.296 0.000 2.915 49 G HA2 0.313 4.273 3.960 -0.000 0.000 0.298 49 G HA3 0.313 4.273 3.960 -0.000 0.000 0.298 49 G C -0.314 174.616 174.900 0.051 0.000 0.837 49 G CA -0.385 44.779 45.100 0.107 0.000 1.752 49 G HN 0.361 nan 8.290 nan 0.000 0.526 50 L N 2.166 123.433 121.223 0.072 0.000 2.477 50 L HA 0.153 4.493 4.340 -0.000 0.000 0.272 50 L C 1.236 177.929 176.870 -0.295 0.000 1.157 50 L CA -0.033 54.762 54.840 -0.075 0.000 0.889 50 L CB 0.299 42.353 42.059 -0.009 0.000 1.158 50 L HN 0.510 nan 8.230 nan 0.000 0.473 51 A N 4.844 127.368 122.820 -0.494 0.000 2.548 51 A HA -0.065 4.255 4.320 -0.000 0.000 0.247 51 A C 1.032 178.200 177.584 -0.693 0.000 1.067 51 A CA -0.157 51.241 52.037 -1.066 0.000 0.757 51 A CB -0.291 17.799 19.000 -1.517 0.000 0.996 51 A HN 0.826 nan 8.150 nan 0.000 0.504 52 N N 2.537 120.846 118.700 -0.651 0.000 2.210 52 N HA -0.113 4.627 4.740 -0.000 0.000 0.285 52 N C -0.388 175.000 175.510 -0.204 0.000 1.277 52 N CA 0.435 53.302 53.050 -0.305 0.000 1.131 52 N CB -0.628 37.746 38.487 -0.188 0.000 1.495 52 N HN 0.685 nan 8.380 nan 0.000 0.483 53 N N 0.694 119.259 118.700 -0.225 0.000 2.090 53 N HA -0.121 4.618 4.740 -0.000 0.000 0.287 53 N C -0.029 175.403 175.510 -0.129 0.000 1.383 53 N CA -0.136 52.804 53.050 -0.184 0.000 0.899 53 N CB 0.300 38.661 38.487 -0.209 0.000 1.251 53 N HN 0.100 nan 8.380 nan 0.000 0.492 54 V N 4.182 124.057 119.914 -0.066 0.000 2.621 54 V HA -0.141 3.979 4.120 -0.000 0.000 0.300 54 V C 1.191 177.266 176.094 -0.032 0.000 1.031 54 V CA 0.107 62.401 62.300 -0.010 0.000 1.210 54 V CB -0.669 31.175 31.823 0.036 0.000 0.864 54 V HN 0.553 nan 8.190 nan 0.000 0.477 55 I N 4.673 125.231 120.570 -0.020 0.000 2.683 55 I HA 0.316 4.486 4.170 -0.000 0.000 0.286 55 I C 0.652 176.797 176.117 0.047 0.000 1.175 55 I CA 0.462 61.768 61.300 0.010 0.000 1.429 55 I CB 0.235 38.290 38.000 0.092 0.000 1.371 55 I HN 0.570 nan 8.210 nan 0.000 0.569 56 G N 6.909 115.734 108.800 0.043 0.000 2.338 56 G HA2 0.575 4.534 3.960 -0.000 0.000 0.298 56 G HA3 0.575 4.534 3.960 -0.000 0.000 0.298 56 G C -2.755 172.197 174.900 0.088 0.000 1.140 56 G CA -1.166 43.964 45.100 0.050 0.000 0.860 56 G HN 0.538 nan 8.290 nan 0.000 0.470 57 P HA 0.153 nan 4.420 nan 0.000 0.274 57 P C 0.514 177.863 177.300 0.080 0.000 1.260 57 P CA -0.237 62.901 63.100 0.062 0.000 0.793 57 P CB 0.292 32.013 31.700 0.035 0.000 1.048 58 T N 1.279 115.870 114.554 0.061 0.000 2.466 58 T HA -0.060 4.290 4.350 -0.000 0.000 0.234 58 T C 1.792 176.554 174.700 0.104 0.000 1.069 58 T CA 1.216 63.374 62.100 0.097 0.000 1.271 58 T CB -0.689 68.201 68.868 0.035 0.000 1.048 58 T HN 0.615 nan 8.240 nan 0.000 0.487 59 G N 3.194 112.084 108.800 0.150 0.000 2.499 59 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.221 59 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.221 59 G C 0.759 175.694 174.900 0.059 0.000 1.109 59 G CA 0.962 46.113 45.100 0.085 0.000 0.749 59 G HN 0.739 nan 8.290 nan 0.000 0.568 60 T N -2.024 112.574 114.554 0.073 0.000 2.908 60 T HA 0.532 4.882 4.350 -0.000 0.000 0.290 60 T C 1.278 175.996 174.700 0.031 0.000 1.034 60 T CA 0.236 62.362 62.100 0.043 0.000 1.010 60 T CB 1.688 70.582 68.868 0.043 0.000 1.068 60 T HN 0.038 nan 8.240 nan 0.000 0.481 61 G N 1.066 109.876 108.800 0.016 0.000 2.882 61 G HA2 0.038 3.998 3.960 -0.000 0.000 0.206 61 G HA3 0.038 3.998 3.960 -0.000 0.000 0.206 61 G C 1.263 176.166 174.900 0.005 0.000 1.155 61 G CA 0.969 46.074 45.100 0.008 0.000 0.800 61 G HN 0.882 nan 8.290 nan 0.000 0.524 62 T N -3.231 111.329 114.554 0.011 0.000 3.034 62 T HA -0.021 4.329 4.350 -0.000 0.000 0.248 62 T C 2.077 176.779 174.700 0.003 0.000 1.040 62 T CA 1.406 63.508 62.100 0.005 0.000 1.107 62 T CB -0.035 68.836 68.868 0.005 0.000 0.932 62 T HN 0.125 nan 8.240 nan 0.000 0.474 63 T N -0.874 113.689 114.554 0.016 0.000 3.054 63 T HA 0.656 5.006 4.350 -0.000 0.000 0.255 63 T C 2.103 176.786 174.700 -0.028 0.000 1.035 63 T CA 0.468 62.565 62.100 -0.005 0.000 0.941 63 T CB -0.041 68.839 68.868 0.020 0.000 1.026 63 T HN 0.485 nan 8.240 nan 0.000 0.533 64 A N 2.260 125.075 122.820 -0.008 0.000 1.780 64 A HA -0.259 4.060 4.320 -0.000 0.000 0.296 64 A C 1.610 179.175 177.584 -0.031 0.000 3.276 64 A CA 2.508 54.538 52.037 -0.012 0.000 0.836 64 A CB -1.999 16.994 19.000 -0.011 0.000 0.792 64 A HN 1.277 nan 8.150 nan 0.000 0.586 65 V N -1.907 117.974 119.914 -0.054 0.000 2.224 65 V HA 0.577 4.697 4.120 -0.000 0.000 0.289 65 V C -0.243 175.777 176.094 -0.123 0.000 1.518 65 V CA 0.044 62.301 62.300 -0.072 0.000 1.533 65 V CB -0.817 30.967 31.823 -0.064 0.000 1.460 65 V HN 0.851 nan 8.190 nan 0.000 0.515 66 N N 2.094 120.710 118.700 -0.141 0.000 2.823 66 N HA 0.568 5.308 4.740 -0.000 0.000 0.251 66 N C -1.304 174.105 175.510 -0.169 0.000 1.392 66 N CA -0.666 52.229 53.050 -0.258 0.000 0.864 66 N CB 2.638 40.842 38.487 -0.472 0.000 1.481 66 N HN 0.558 nan 8.380 nan 0.000 0.508 67 R N 0.490 120.905 120.500 -0.143 0.000 2.781 67 R HA 0.581 4.921 4.340 -0.000 0.000 0.269 67 R C -1.117 175.404 176.300 0.368 0.000 1.025 67 R CA -0.934 55.240 56.100 0.124 0.000 0.914 67 R CB 1.240 31.643 30.300 0.171 0.000 1.236 67 R HN 0.420 nan 8.270 nan 0.000 0.465 68 L N 1.883 123.325 121.223 0.366 0.000 2.345 68 L HA 0.410 4.750 4.340 -0.000 0.000 0.274 68 L C -0.242 176.654 176.870 0.044 0.000 0.999 68 L CA -0.667 54.358 54.840 0.308 0.000 0.849 68 L CB 1.803 43.980 42.059 0.196 0.000 1.220 68 L HN 0.386 nan 8.230 nan 0.000 0.422 69 L N 3.800 124.866 121.223 -0.261 0.000 2.418 69 L HA 0.313 4.652 4.340 -0.000 0.000 0.274 69 L C -0.083 176.550 176.870 -0.396 0.000 1.135 69 L CA 0.142 54.555 54.840 -0.712 0.000 0.870 69 L CB 1.022 42.024 42.059 -1.761 0.000 1.154 69 L HN 0.617 nan 8.230 nan 0.000 0.462 70 T N 0.823 115.209 114.554 -0.280 0.000 2.895 70 T HA 0.552 4.902 4.350 -0.000 0.000 0.283 70 T C 0.128 174.739 174.700 -0.149 0.000 1.014 70 T CA -0.696 61.286 62.100 -0.195 0.000 1.037 70 T CB 1.793 70.562 68.868 -0.166 0.000 1.006 70 T HN 0.687 nan 8.240 nan 0.000 0.468 71 T N -2.443 112.074 114.554 -0.062 0.000 2.927 71 T HA 0.387 4.737 4.350 -0.000 0.000 0.286 71 T C 1.297 175.991 174.700 -0.010 0.000 1.040 71 T CA -0.616 61.472 62.100 -0.020 0.000 1.010 71 T CB 0.908 69.841 68.868 0.108 0.000 1.177 71 T HN 0.923 nan 8.240 nan 0.000 0.546 72 C N -0.019 119.238 119.300 -0.072 0.000 2.780 72 C HA 0.459 4.919 4.460 -0.000 0.000 0.267 72 C C 0.881 175.623 174.990 -0.413 0.000 1.266 72 C CA -0.722 58.211 59.018 -0.142 0.000 1.709 72 C CB -1.834 25.816 27.740 -0.151 0.000 1.975 72 C HN 0.712 nan 8.230 nan 0.000 0.582 73 L N 2.923 124.026 121.223 -0.200 0.000 2.894 73 L HA 0.155 4.495 4.340 -0.000 0.000 0.286 73 L C 1.096 177.803 176.870 -0.271 0.000 1.077 73 L CA 0.581 55.300 54.840 -0.203 0.000 1.070 73 L CB -1.607 40.392 42.059 -0.100 0.000 1.470 73 L HN 0.496 nan 8.230 nan 0.000 0.452 74 A N 4.125 126.657 122.820 -0.480 0.000 2.407 74 A HA 0.324 4.644 4.320 -0.000 0.000 0.248 74 A C 0.495 178.026 177.584 -0.088 0.000 1.082 74 A CA -0.483 51.328 52.037 -0.377 0.000 0.785 74 A CB 0.242 19.003 19.000 -0.399 0.000 1.020 74 A HN 0.652 nan 8.150 nan 0.000 0.489 75 E N 2.343 122.574 120.200 0.050 0.000 2.134 75 E HA 0.406 4.755 4.350 -0.000 0.000 0.278 75 E C -1.221 175.374 176.600 -0.007 0.000 0.959 75 E CA -0.359 56.069 56.400 0.047 0.000 0.783 75 E CB 0.598 30.385 29.700 0.145 0.000 1.095 75 E HN 0.548 nan 8.360 nan 0.000 0.399 76 I N 6.674 127.223 120.570 -0.035 0.000 2.312 76 I HA 0.169 4.339 4.170 -0.000 0.000 0.291 76 I C -1.942 174.211 176.117 0.059 0.000 1.031 76 I CA -2.282 58.985 61.300 -0.055 0.000 1.293 76 I CB 1.231 39.213 38.000 -0.031 0.000 1.403 76 I HN 0.342 nan 8.210 nan 0.000 0.484 77 P HA -0.083 nan 4.420 nan 0.000 0.246 77 P C -0.406 177.014 177.300 0.199 0.000 1.675 77 P CA 0.020 63.149 63.100 0.048 0.000 0.908 77 P CB -0.619 31.080 31.700 -0.002 0.000 1.890 78 W N 2.990 124.293 121.300 0.004 0.000 1.438 78 W HA 0.175 4.835 4.660 -0.000 0.000 0.455 78 W C 0.495 177.052 176.519 0.062 0.000 0.656 78 W CA -0.241 57.231 57.345 0.211 0.000 2.049 78 W CB 0.084 29.673 29.460 0.215 0.000 1.683 78 W HN 0.231 nan 8.180 nan 0.000 0.228 79 Q N 1.291 121.146 119.800 0.092 0.000 1.466 79 Q HA 0.001 4.341 4.340 -0.000 0.000 0.156 79 Q C -0.718 175.257 176.000 -0.042 0.000 0.637 79 Q CA -0.131 55.536 55.803 -0.227 0.000 0.669 79 Q CB -0.336 28.030 28.738 -0.621 0.000 1.155 79 Q HN 0.139 nan 8.270 nan 0.000 0.356 80 K N 2.047 122.467 120.400 0.034 0.000 2.234 80 K HA 0.288 4.608 4.320 -0.000 0.000 0.277 80 K C 1.134 177.844 176.600 0.184 0.000 1.038 80 K CA -0.363 55.930 56.287 0.010 0.000 0.888 80 K CB 1.520 33.974 32.500 -0.076 0.000 1.091 80 K HN 0.074 nan 8.250 nan 0.000 0.467 81 L N 5.861 127.131 121.223 0.079 0.000 2.064 81 L HA -0.207 4.133 4.340 -0.000 0.000 0.216 81 L C -0.721 176.318 176.870 0.282 0.000 1.077 81 L CA 2.201 57.103 54.840 0.102 0.000 0.766 81 L CB -0.912 41.087 42.059 -0.100 0.000 0.890 81 L HN 0.604 nan 8.230 nan 0.000 0.435 82 P HA -0.196 nan 4.420 nan 0.000 0.223 82 P C 1.923 179.511 177.300 0.481 0.000 1.144 82 P CA 0.979 64.282 63.100 0.338 0.000 0.783 82 P CB 0.008 31.863 31.700 0.258 0.000 0.771 83 L N -1.286 120.194 121.223 0.427 0.000 2.131 83 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 83 L C 2.279 179.236 176.870 0.146 0.000 1.092 83 L CA 1.893 56.885 54.840 0.253 0.000 0.759 83 L CB -1.100 40.974 42.059 0.024 0.000 0.903 83 L HN -0.125 nan 8.230 nan 0.000 0.435 84 Y N -1.086 119.382 120.300 0.279 0.000 2.186 84 Y HA 0.182 4.732 4.550 -0.000 0.000 0.286 84 Y C 1.346 177.320 175.900 0.125 0.000 1.109 84 Y CA 0.519 58.743 58.100 0.208 0.000 1.099 84 Y CB -0.641 37.934 38.460 0.192 0.000 1.030 84 Y HN 0.074 nan 8.280 nan 0.000 0.495 85 M N 1.370 121.112 119.600 0.238 0.000 2.662 85 M HA 0.436 4.916 4.480 -0.000 0.000 0.310 85 M C -1.030 175.269 176.300 -0.001 0.000 1.204 85 M CA -1.059 54.219 55.300 -0.036 0.000 0.891 85 M CB 1.553 33.851 32.600 -0.504 0.000 1.732 85 M HN 0.321 nan 8.290 nan 0.000 0.467 86 N N 1.353 119.901 118.700 -0.254 0.000 2.374 86 N HA 0.137 4.877 4.740 -0.000 0.000 0.284 86 N C 0.622 176.073 175.510 -0.097 0.000 1.280 86 N CA -0.210 52.588 53.050 -0.420 0.000 0.963 86 N CB 0.215 38.052 38.487 -1.083 0.000 1.141 86 N HN 0.617 nan 8.380 nan 0.000 0.565 87 Q N -0.038 119.742 119.800 -0.034 0.000 1.935 87 Q HA -0.162 4.178 4.340 -0.000 0.000 0.212 87 Q C 1.944 178.008 176.000 0.106 0.000 1.008 87 Q CA 2.203 58.063 55.803 0.095 0.000 0.868 87 Q CB -0.997 27.799 28.738 0.098 0.000 0.946 87 Q HN 0.745 nan 8.270 nan 0.000 0.418 88 S N 1.629 117.351 115.700 0.036 0.000 2.427 88 S HA -0.250 4.219 4.470 -0.000 0.000 0.231 88 S C 1.695 176.307 174.600 0.020 0.000 1.045 88 S CA 1.930 60.148 58.200 0.030 0.000 1.154 88 S CB -0.739 62.471 63.200 0.018 0.000 1.093 88 S HN 0.515 nan 8.310 nan 0.000 0.422 89 E N 0.810 121.002 120.200 -0.015 0.000 2.136 89 E HA -0.294 4.056 4.350 -0.000 0.000 0.208 89 E C 1.885 178.455 176.600 -0.050 0.000 1.035 89 E CA 1.731 58.101 56.400 -0.051 0.000 0.838 89 E CB -0.666 28.885 29.700 -0.248 0.000 0.748 89 E HN 0.572 nan 8.360 nan 0.000 0.459 90 F N 2.754 122.613 119.950 -0.152 0.000 2.014 90 F HA -0.166 4.360 4.527 -0.000 0.000 0.295 90 F C 1.921 177.706 175.800 -0.025 0.000 1.145 90 F CA 2.042 59.990 58.000 -0.088 0.000 1.178 90 F CB -0.649 38.321 39.000 -0.050 0.000 0.972 90 F HN -0.176 nan 8.300 nan 0.000 0.476 91 D N 0.553 120.884 120.400 -0.114 0.000 2.339 91 D HA -0.237 4.403 4.640 -0.000 0.000 0.189 91 D C 1.835 177.998 176.300 -0.228 0.000 1.022 91 D CA 2.044 55.923 54.000 -0.201 0.000 0.884 91 D CB -0.464 40.345 40.800 0.015 0.000 0.916 91 D HN 0.283 nan 8.370 nan 0.000 0.453 92 L N 0.051 121.198 121.223 -0.127 0.000 2.627 92 L HA 0.117 4.457 4.340 -0.000 0.000 0.233 92 L C 0.319 177.140 176.870 -0.081 0.000 1.144 92 L CA 0.158 54.952 54.840 -0.076 0.000 0.892 92 L CB -0.447 41.605 42.059 -0.011 0.000 1.039 92 L HN 0.023 nan 8.230 nan 0.000 0.442 93 L N 0.849 121.979 121.223 -0.157 0.000 2.360 93 L HA 0.244 4.583 4.340 -0.000 0.000 0.276 93 L C -1.898 174.912 176.870 -0.099 0.000 1.121 93 L CA -1.876 52.903 54.840 -0.102 0.000 0.845 93 L CB 0.026 42.020 42.059 -0.109 0.000 1.143 93 L HN -0.075 nan 8.230 nan 0.000 0.452 94 P HA 0.147 nan 4.420 nan 0.000 0.271 94 P C -2.477 174.796 177.300 -0.045 0.000 1.233 94 P CA -1.002 62.073 63.100 -0.042 0.000 0.789 94 P CB -0.049 31.635 31.700 -0.027 0.000 0.951 95 P HA 0.103 nan 4.420 nan 0.000 0.270 95 P C 0.784 178.055 177.300 -0.047 0.000 1.223 95 P CA 0.876 63.953 63.100 -0.038 0.000 0.785 95 P CB 0.137 31.814 31.700 -0.038 0.000 0.923 96 G N 0.482 109.252 108.800 -0.050 0.000 2.162 96 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.260 96 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.260 96 G C 0.268 175.145 174.900 -0.038 0.000 0.976 96 G CA -0.022 45.044 45.100 -0.057 0.000 0.655 96 G HN 0.562 nan 8.290 nan 0.000 0.533 97 S N 1.123 116.809 115.700 -0.024 0.000 2.498 97 S HA 0.476 4.946 4.470 -0.000 0.000 0.281 97 S C 0.700 175.303 174.600 0.005 0.000 1.265 97 S CA 0.168 58.365 58.200 -0.005 0.000 1.071 97 S CB 0.352 63.552 63.200 -0.000 0.000 0.894 97 S HN 0.716 nan 8.310 nan 0.000 0.491 98 R N 1.497 121.999 120.500 0.003 0.000 2.686 98 R HA 0.573 4.912 4.340 -0.000 0.000 0.286 98 R C -1.403 174.899 176.300 0.004 0.000 0.969 98 R CA -0.999 55.099 56.100 -0.005 0.000 0.898 98 R CB 0.662 30.944 30.300 -0.031 0.000 1.183 98 R HN 0.276 nan 8.270 nan 0.000 0.456 99 V N 3.298 123.210 119.914 -0.003 0.000 2.508 99 V HA -0.015 4.104 4.120 -0.000 0.000 0.281 99 V C 1.348 177.410 176.094 -0.053 0.000 1.041 99 V CA -0.093 62.197 62.300 -0.016 0.000 1.016 99 V CB 1.298 33.089 31.823 -0.053 0.000 0.984 99 V HN 0.717 nan 8.190 nan 0.000 0.478 100 V N 3.363 123.252 119.914 -0.041 0.000 2.379 100 V HA 0.107 4.227 4.120 -0.000 0.000 0.243 100 V C 0.738 176.768 176.094 -0.107 0.000 1.035 100 V CA 1.245 63.503 62.300 -0.069 0.000 1.035 100 V CB -0.182 31.616 31.823 -0.042 0.000 0.673 100 V HN 0.984 nan 8.190 nan 0.000 0.457 101 E N -1.074 119.086 120.200 -0.067 0.000 2.423 101 E HA 0.517 4.867 4.350 -0.000 0.000 0.280 101 E C -1.932 174.681 176.600 0.022 0.000 1.030 101 E CA -0.330 56.032 56.400 -0.062 0.000 0.812 101 E CB 2.478 32.160 29.700 -0.031 0.000 1.313 101 E HN 0.423 nan 8.360 nan 0.000 0.456 102 C N 1.642 121.007 119.300 0.110 0.000 3.113 102 C HA 0.793 5.252 4.460 -0.000 0.000 0.376 102 C C -1.346 173.933 174.990 0.482 0.000 1.077 102 C CA -0.824 58.355 59.018 0.269 0.000 1.253 102 C CB 0.211 28.018 27.740 0.111 0.000 1.637 102 C HN 0.878 nan 8.230 nan 0.000 0.535 103 N N 1.023 120.020 118.700 0.494 0.000 2.321 103 N HA 0.870 5.610 4.740 -0.000 0.000 0.290 103 N C -1.586 174.120 175.510 0.327 0.000 1.212 103 N CA -0.490 52.817 53.050 0.429 0.000 0.767 103 N CB 2.367 40.999 38.487 0.241 0.000 1.494 103 N HN 0.812 nan 8.380 nan 0.000 0.479 104 V N 1.387 121.387 119.914 0.143 0.000 2.709 104 V HA 0.540 4.660 4.120 -0.000 0.000 0.308 104 V C -1.094 174.962 176.094 -0.064 0.000 1.062 104 V CA -0.743 61.550 62.300 -0.013 0.000 0.901 104 V CB 1.797 33.512 31.823 -0.180 0.000 1.003 104 V HN 0.744 nan 8.190 nan 0.000 0.425 105 K N 3.624 123.996 120.400 -0.046 0.000 2.468 105 K HA 0.865 5.185 4.320 -0.000 0.000 0.252 105 K C -1.178 175.390 176.600 -0.055 0.000 0.932 105 K CA -0.882 55.372 56.287 -0.055 0.000 0.794 105 K CB 2.802 35.279 32.500 -0.038 0.000 1.241 105 K HN 0.565 nan 8.250 nan 0.000 0.428 106 V N -0.406 119.472 119.914 -0.060 0.000 2.823 106 V HA 0.708 4.828 4.120 -0.000 0.000 0.312 106 V C -1.294 174.767 176.094 -0.054 0.000 1.072 106 V CA -0.920 61.355 62.300 -0.042 0.000 0.937 106 V CB 1.389 33.207 31.823 -0.009 0.000 1.013 106 V HN 0.673 nan 8.190 nan 0.000 0.430 107 I N 4.617 125.148 120.570 -0.065 0.000 2.406 107 I HA 0.412 4.582 4.170 -0.000 0.000 0.290 107 I C -0.407 175.668 176.117 -0.070 0.000 0.999 107 I CA -0.469 60.779 61.300 -0.087 0.000 1.124 107 I CB 1.563 39.475 38.000 -0.147 0.000 1.289 107 I HN 0.713 nan 8.210 nan 0.000 0.441 108 F N 6.451 126.302 119.950 -0.165 0.000 2.613 108 F HA 0.229 4.755 4.527 -0.000 0.000 0.341 108 F C 1.543 177.230 175.800 -0.188 0.000 1.288 108 F CA -0.469 57.439 58.000 -0.154 0.000 1.103 108 F CB 0.036 38.953 39.000 -0.139 0.000 1.423 108 F HN 0.492 nan 8.300 nan 0.000 0.651 109 R N 2.578 122.706 120.500 -0.620 0.000 2.189 109 R HA 0.065 4.405 4.340 -0.000 0.000 0.223 109 R C 0.133 175.887 176.300 -0.910 0.000 1.092 109 R CA 1.298 56.939 56.100 -0.765 0.000 0.989 109 R CB -0.270 29.400 30.300 -1.051 0.000 0.876 109 R HN 0.756 nan 8.270 nan 0.000 0.457 110 T N -1.827 111.910 114.554 -1.362 0.000 2.722 110 T HA 0.073 4.423 4.350 -0.000 0.000 0.266 110 T C -2.346 172.180 174.700 -0.291 0.000 1.806 110 T CA -0.252 61.171 62.100 -1.128 0.000 0.998 110 T CB -0.772 67.835 68.868 -0.436 0.000 2.150 110 T HN 0.469 nan 8.240 nan 0.000 0.501 111 N N 1.234 120.008 118.700 0.124 0.000 2.455 111 N HA 0.677 5.417 4.740 -0.000 0.000 0.278 111 N C -1.411 174.179 175.510 0.133 0.000 1.291 111 N CA -0.891 52.303 53.050 0.240 0.000 0.780 111 N CB 1.955 40.655 38.487 0.356 0.000 1.520 111 N HN 0.810 nan 8.380 nan 0.000 0.486 112 R N 0.580 121.145 120.500 0.108 0.000 2.628 112 R HA 0.602 4.942 4.340 -0.000 0.000 0.288 112 R C -0.686 175.682 176.300 0.112 0.000 0.980 112 R CA -0.706 55.446 56.100 0.086 0.000 0.891 112 R CB 1.959 32.289 30.300 0.050 0.000 1.188 112 R HN 0.559 nan 8.270 nan 0.000 0.450 113 I N 1.601 122.242 120.570 0.117 0.000 2.569 113 I HA 0.434 4.604 4.170 -0.000 0.000 0.296 113 I C 0.578 176.786 176.117 0.152 0.000 1.028 113 I CA -0.939 60.445 61.300 0.140 0.000 1.082 113 I CB 2.050 40.135 38.000 0.140 0.000 1.264 113 I HN 0.691 nan 8.210 nan 0.000 0.429 114 A N 4.737 127.657 122.820 0.165 0.000 2.364 114 A HA 0.348 4.668 4.320 -0.000 0.000 0.258 114 A C -0.851 176.886 177.584 0.255 0.000 1.131 114 A CA 0.489 52.634 52.037 0.180 0.000 0.800 114 A CB 0.181 19.271 19.000 0.150 0.000 1.086 114 A HN 0.578 nan 8.150 nan 0.000 0.508 115 F N -0.180 119.803 119.950 0.054 0.000 2.659 115 F HA 0.339 4.866 4.527 -0.000 0.000 0.342 115 F C -0.483 175.340 175.800 0.039 0.000 1.168 115 F CA -0.810 57.216 58.000 0.043 0.000 1.003 115 F CB 1.288 40.310 39.000 0.036 0.000 1.267 115 F HN 0.531 nan 8.300 nan 0.000 0.463 116 E N 3.878 123.843 120.200 -0.392 0.000 2.351 116 E HA 0.134 4.484 4.350 -0.000 0.000 0.266 116 E C 0.635 176.922 176.600 -0.522 0.000 1.031 116 E CA 0.381 56.584 56.400 -0.328 0.000 0.911 116 E CB 1.039 30.606 29.700 -0.221 0.000 0.986 116 E HN 0.738 nan 8.360 nan 0.000 0.446 117 T N -1.317 113.082 114.554 -0.260 0.000 3.056 117 T HA -0.045 4.305 4.350 -0.000 0.000 0.241 117 T C 0.869 175.505 174.700 -0.107 0.000 1.006 117 T CA -0.037 61.959 62.100 -0.173 0.000 1.115 117 T CB -0.019 68.839 68.868 -0.016 0.000 0.939 117 T HN 0.414 nan 8.240 nan 0.000 0.462 118 S N 2.712 118.362 115.700 -0.083 0.000 2.887 118 S HA 0.095 4.565 4.470 -0.000 0.000 0.337 118 S C 1.353 175.908 174.600 -0.074 0.000 1.209 118 S CA -0.012 58.154 58.200 -0.056 0.000 1.186 118 S CB 0.634 63.812 63.200 -0.035 0.000 0.925 118 S HN 0.291 nan 8.310 nan 0.000 0.522 119 S N 4.560 120.223 115.700 -0.061 0.000 2.354 119 S HA -0.131 4.339 4.470 -0.000 0.000 0.219 119 S C 1.581 176.147 174.600 -0.057 0.000 1.035 119 S CA 1.825 59.983 58.200 -0.070 0.000 1.037 119 S CB -1.424 61.743 63.200 -0.054 0.000 0.956 119 S HN 1.192 nan 8.310 nan 0.000 0.428 120 T N 0.569 115.098 114.554 -0.041 0.000 5.178 120 T HA -0.277 4.073 4.350 -0.000 0.000 0.162 120 T C 1.033 175.711 174.700 -0.036 0.000 1.670 120 T CA 2.150 64.230 62.100 -0.033 0.000 1.037 120 T CB -1.469 67.382 68.868 -0.028 0.000 1.208 120 T HN 0.847 nan 8.240 nan 0.000 0.400 121 V N 0.511 120.404 119.914 -0.034 0.000 3.159 121 V HA 0.379 4.499 4.120 -0.000 0.000 0.333 121 V C 1.401 177.471 176.094 -0.039 0.000 1.424 121 V CA 0.415 62.694 62.300 -0.035 0.000 1.125 121 V CB 0.230 32.035 31.823 -0.029 0.000 1.075 121 V HN 0.997 nan 8.190 nan 0.000 0.482 122 T N -1.988 112.540 114.554 -0.044 0.000 2.980 122 T HA 0.138 4.488 4.350 -0.000 0.000 0.252 122 T C 0.935 175.603 174.700 -0.053 0.000 0.962 122 T CA -0.296 61.775 62.100 -0.049 0.000 0.932 122 T CB 0.215 69.048 68.868 -0.059 0.000 1.188 122 T HN 0.177 nan 8.240 nan 0.000 0.500 123 K N 3.129 123.496 120.400 -0.054 0.000 3.233 123 K HA 0.267 4.587 4.320 -0.000 0.000 0.283 123 K C -0.124 176.434 176.600 -0.070 0.000 1.209 123 K CA -0.043 56.209 56.287 -0.057 0.000 1.197 123 K CB -0.902 31.571 32.500 -0.044 0.000 1.431 123 K HN 0.454 nan 8.250 nan 0.000 0.326 124 Q N 0.509 120.269 119.800 -0.067 0.000 3.464 124 Q HA -0.154 4.186 4.340 -0.000 0.000 0.397 124 Q C 0.118 176.056 176.000 -0.103 0.000 1.094 124 Q CA 0.642 56.401 55.803 -0.074 0.000 1.107 124 Q CB -0.285 28.425 28.738 -0.047 0.000 1.235 124 Q HN 0.448 nan 8.270 nan 0.000 0.547 125 A N 3.132 125.850 122.820 -0.170 0.000 2.520 125 A HA 0.458 4.778 4.320 -0.000 0.000 0.245 125 A C 0.291 177.791 177.584 -0.140 0.000 1.072 125 A CA 0.457 52.290 52.037 -0.340 0.000 0.761 125 A CB 0.685 19.429 19.000 -0.426 0.000 1.004 125 A HN 0.564 nan 8.150 nan 0.000 0.499 126 T N 1.610 116.154 114.554 -0.016 0.000 3.012 126 T HA 0.428 4.778 4.350 -0.000 0.000 0.330 126 T C -0.129 174.842 174.700 0.453 0.000 1.321 126 T CA -0.529 61.719 62.100 0.247 0.000 1.067 126 T CB 0.455 69.395 68.868 0.120 0.000 1.235 126 T HN 0.607 nan 8.240 nan 0.000 0.479 127 L N 3.073 124.486 121.223 0.316 0.000 2.629 127 L HA 0.453 4.793 4.340 -0.000 0.000 0.230 127 L C 1.596 178.529 176.870 0.105 0.000 1.151 127 L CA -0.097 54.836 54.840 0.155 0.000 0.924 127 L CB -1.182 40.910 42.059 0.054 0.000 1.137 127 L HN 0.425 nan 8.230 nan 0.000 0.457 128 N N 1.383 120.156 118.700 0.121 0.000 2.179 128 N HA 0.181 4.921 4.740 -0.000 0.000 0.247 128 N C -0.166 175.392 175.510 0.079 0.000 1.293 128 N CA 0.355 53.455 53.050 0.084 0.000 0.943 128 N CB 0.096 38.626 38.487 0.072 0.000 1.064 128 N HN 0.307 nan 8.380 nan 0.000 0.416 129 Q N -0.183 119.664 119.800 0.078 0.000 3.004 129 Q HA 0.245 4.585 4.340 -0.000 0.000 0.201 129 Q C -1.886 174.159 176.000 0.076 0.000 0.932 129 Q CA -0.255 55.599 55.803 0.086 0.000 1.222 129 Q CB 0.803 29.592 28.738 0.085 0.000 1.718 129 Q HN 0.323 nan 8.270 nan 0.000 0.591 130 I N 2.182 122.799 120.570 0.078 0.000 2.466 130 I HA 0.530 4.700 4.170 -0.000 0.000 0.279 130 I C -1.041 175.121 176.117 0.075 0.000 1.033 130 I CA 0.015 61.357 61.300 0.070 0.000 1.123 130 I CB 1.538 39.574 38.000 0.060 0.000 1.237 130 I HN 0.525 nan 8.210 nan 0.000 0.460 131 S N 6.711 122.451 115.700 0.067 0.000 2.632 131 S HA 0.776 5.245 4.470 -0.000 0.000 0.289 131 S C -1.304 173.307 174.600 0.018 0.000 1.115 131 S CA -0.668 57.565 58.200 0.055 0.000 0.889 131 S CB 1.534 64.777 63.200 0.072 0.000 1.116 131 S HN 0.695 nan 8.310 nan 0.000 0.486 132 N N 1.359 120.045 118.700 -0.022 0.000 2.503 132 N HA 0.366 5.106 4.740 -0.000 0.000 0.287 132 N C -1.214 174.224 175.510 -0.119 0.000 1.096 132 N CA -0.825 52.189 53.050 -0.061 0.000 0.936 132 N CB 1.240 39.711 38.487 -0.026 0.000 1.570 132 N HN 0.332 nan 8.380 nan 0.000 0.504 133 V N 1.497 121.287 119.914 -0.207 0.000 3.139 133 V HA 0.049 4.169 4.120 -0.000 0.000 0.307 133 V C 0.259 176.335 176.094 -0.030 0.000 1.095 133 V CA 0.369 62.528 62.300 -0.235 0.000 1.160 133 V CB 0.858 32.433 31.823 -0.414 0.000 1.003 133 V HN 0.890 nan 8.190 nan 0.000 0.489 134 Q N 1.409 121.191 119.800 -0.030 0.000 2.313 134 Q HA 0.600 4.940 4.340 -0.000 0.000 0.255 134 Q C -0.970 175.030 176.000 -0.001 0.000 0.944 134 Q CA -0.814 54.979 55.803 -0.016 0.000 0.881 134 Q CB 1.930 30.617 28.738 -0.085 0.000 1.375 134 Q HN 0.749 nan 8.270 nan 0.000 0.422 135 T N -0.687 113.911 114.554 0.074 0.000 2.926 135 T HA 0.985 5.335 4.350 -0.000 0.000 0.289 135 T C -0.446 174.240 174.700 -0.022 0.000 1.054 135 T CA -0.401 61.716 62.100 0.028 0.000 1.015 135 T CB 2.042 70.957 68.868 0.080 0.000 1.167 135 T HN 1.082 nan 8.240 nan 0.000 0.526 136 A N 0.725 123.504 122.820 -0.068 0.000 2.594 136 A HA 0.641 4.961 4.320 -0.000 0.000 0.296 136 A C -0.522 176.994 177.584 -0.113 0.000 1.056 136 A CA -0.842 51.138 52.037 -0.095 0.000 0.693 136 A CB 0.807 19.720 19.000 -0.146 0.000 1.278 136 A HN 0.638 nan 8.150 nan 0.000 0.408 137 I N 0.807 121.323 120.570 -0.090 0.000 5.802 137 I HA 0.273 4.443 4.170 -0.000 0.000 0.233 137 I C 2.558 178.637 176.117 -0.062 0.000 0.873 137 I CA 1.110 62.368 61.300 -0.070 0.000 1.955 137 I CB -1.395 36.590 38.000 -0.025 0.000 1.439 137 I HN 0.845 nan 8.210 nan 0.000 0.475 138 G N 2.641 111.426 108.800 -0.026 0.000 2.550 138 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.222 138 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.222 138 G C 1.712 176.530 174.900 -0.137 0.000 1.113 138 G CA 1.524 46.599 45.100 -0.042 0.000 0.748 138 G HN 0.610 nan 8.290 nan 0.000 0.585 139 L N 0.931 122.031 121.223 -0.205 0.000 2.107 139 L HA -0.421 3.919 4.340 -0.000 0.000 0.240 139 L C 2.322 179.037 176.870 -0.258 0.000 1.115 139 L CA 3.105 57.751 54.840 -0.324 0.000 0.840 139 L CB -1.912 39.903 42.059 -0.408 0.000 0.935 139 L HN 0.435 nan 8.230 nan 0.000 0.449 140 N N 1.170 119.737 118.700 -0.223 0.000 2.067 140 N HA -0.304 4.436 4.740 -0.000 0.000 0.181 140 N C 1.442 176.925 175.510 -0.046 0.000 0.943 140 N CA 2.444 55.457 53.050 -0.062 0.000 0.885 140 N CB -0.673 37.790 38.487 -0.040 0.000 1.036 140 N HN 0.426 nan 8.380 nan 0.000 0.799 141 K N -0.111 120.242 120.400 -0.079 0.000 1.985 141 K HA 0.021 4.341 4.320 -0.000 0.000 0.210 141 K C 2.166 178.639 176.600 -0.213 0.000 1.047 141 K CA 1.048 57.270 56.287 -0.108 0.000 0.932 141 K CB -0.848 31.607 32.500 -0.075 0.000 0.716 141 K HN 0.271 nan 8.250 nan 0.000 0.439 142 L N 0.272 121.335 121.223 -0.267 0.000 2.044 142 L HA -0.006 4.334 4.340 -0.000 0.000 0.205 142 L C 2.092 178.694 176.870 -0.447 0.000 1.075 142 L CA 1.526 56.092 54.840 -0.457 0.000 0.747 142 L CB -2.125 39.709 42.059 -0.375 0.000 0.903 142 L HN 0.199 nan 8.230 nan 0.000 0.435 143 G N -0.373 108.165 108.800 -0.436 0.000 2.466 143 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.204 143 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.204 143 G C -0.220 174.496 174.900 -0.307 0.000 1.600 143 G CA -0.010 44.697 45.100 -0.654 0.000 1.038 143 G HN 0.481 nan 8.290 nan 0.000 0.515 144 W N -0.191 121.105 121.300 -0.008 0.000 2.104 144 W HA 0.628 5.288 4.660 -0.000 0.000 0.291 144 W C -0.102 176.487 176.519 0.117 0.000 0.936 144 W CA -0.846 56.531 57.345 0.053 0.000 1.856 144 W CB -0.110 29.381 29.460 0.052 0.000 2.036 144 W HN 0.728 nan 8.180 nan 0.000 0.393 145 G N 1.229 110.258 108.800 0.382 0.000 2.731 145 G HA2 0.749 4.709 3.960 -0.000 0.000 0.309 145 G HA3 0.749 4.709 3.960 -0.000 0.000 0.309 145 G C -1.953 173.037 174.900 0.150 0.000 1.273 145 G CA -0.864 44.411 45.100 0.292 0.000 0.798 145 G HN 0.314 nan 8.290 nan 0.000 0.509 146 I N -0.630 119.914 120.570 -0.043 0.000 2.743 146 I HA 0.307 4.477 4.170 -0.000 0.000 0.292 146 I C -0.559 175.511 176.117 -0.079 0.000 1.343 146 I CA -0.835 60.449 61.300 -0.028 0.000 1.038 146 I CB 2.154 40.101 38.000 -0.088 0.000 1.311 146 I HN 0.575 nan 8.210 nan 0.000 0.426 147 N N 3.181 121.922 118.700 0.068 0.000 2.571 147 N HA -0.050 4.689 4.740 -0.000 0.000 0.189 147 N C 0.285 175.811 175.510 0.027 0.000 1.154 147 N CA -0.149 52.972 53.050 0.119 0.000 0.907 147 N CB -0.078 38.525 38.487 0.194 0.000 0.977 147 N HN 0.265 nan 8.380 nan 0.000 0.449 148 R N 1.294 121.757 120.500 -0.063 0.000 4.662 148 R HA -0.142 4.198 4.340 -0.000 0.000 0.189 148 R C -0.483 175.773 176.300 -0.073 0.000 0.345 148 R CA 0.111 56.151 56.100 -0.101 0.000 0.933 148 R CB -1.172 29.016 30.300 -0.188 0.000 0.923 148 R HN 0.239 nan 8.270 nan 0.000 0.272 149 A N 3.834 126.626 122.820 -0.047 0.000 3.891 149 A HA 0.693 5.013 4.320 -0.000 0.000 0.173 149 A C -0.366 177.222 177.584 0.006 0.000 0.735 149 A CA -0.248 51.760 52.037 -0.048 0.000 0.892 149 A CB -0.233 18.753 19.000 -0.023 0.000 1.601 149 A HN 0.572 nan 8.150 nan 0.000 0.796 150 F N -0.662 119.195 119.950 -0.155 0.000 1.408 150 F HA -0.162 4.364 4.527 -0.000 0.000 0.094 150 F C 0.813 176.526 175.800 -0.146 0.000 0.204 150 F CA 1.602 59.506 58.000 -0.160 0.000 0.334 150 F CB -0.307 38.604 39.000 -0.149 0.000 0.737 150 F HN 1.164 nan 8.300 nan 0.000 0.661 151 T N 0.565 115.143 114.554 0.040 0.000 2.589 151 T HA 0.891 5.241 4.350 -0.000 0.000 0.261 151 T C -0.647 174.166 174.700 0.187 0.000 0.936 151 T CA -0.480 61.642 62.100 0.036 0.000 1.202 151 T CB 1.448 70.184 68.868 -0.220 0.000 1.576 151 T HN 1.803 nan 8.240 nan 0.000 0.464 152 A N 0.876 123.823 122.820 0.212 0.000 2.480 152 A HA 0.609 4.929 4.320 -0.000 0.000 0.302 152 A C -1.116 176.620 177.584 0.254 0.000 1.151 152 A CA -0.980 51.167 52.037 0.184 0.000 0.907 152 A CB -0.297 18.749 19.000 0.077 0.000 1.487 152 A HN 1.358 nan 8.150 nan 0.000 0.396 153 F N -0.334 119.553 119.950 -0.106 0.000 2.745 153 F HA 0.735 5.262 4.527 -0.000 0.000 0.316 153 F C 0.021 175.768 175.800 -0.088 0.000 1.155 153 F CA -1.045 56.897 58.000 -0.096 0.000 0.937 153 F CB 0.335 39.267 39.000 -0.113 0.000 1.361 153 F HN 0.806 nan 8.300 nan 0.000 0.472 154 Q N 1.076 120.984 119.800 0.181 0.000 2.601 154 Q HA 0.171 4.511 4.340 -0.000 0.000 0.394 154 Q C -0.144 175.843 176.000 -0.023 0.000 1.420 154 Q CA 0.731 56.585 55.803 0.085 0.000 1.045 154 Q CB -0.239 28.605 28.738 0.176 0.000 1.254 154 Q HN 0.941 nan 8.270 nan 0.000 0.501 155 S N 0.391 116.091 115.700 0.000 0.000 2.655 155 S HA 0.172 4.642 4.470 -0.000 0.000 0.265 155 S C -0.004 174.607 174.600 0.017 0.000 1.240 155 S CA -0.619 57.571 58.200 -0.015 0.000 0.986 155 S CB 0.852 64.048 63.200 -0.008 0.000 0.985 155 S HN 0.723 nan 8.310 nan 0.000 0.562 156 D N 1.574 121.980 120.400 0.010 0.000 2.703 156 D HA -0.069 4.571 4.640 -0.000 0.000 0.225 156 D C 0.030 176.368 176.300 0.063 0.000 1.119 156 D CA 1.381 55.401 54.000 0.034 0.000 0.845 156 D CB 0.114 40.927 40.800 0.021 0.000 1.182 156 D HN 0.586 nan 8.370 nan 0.000 0.493 157 Q N -0.009 119.851 119.800 0.101 0.000 2.470 157 Q HA -0.138 4.202 4.340 -0.000 0.000 0.281 157 Q C -2.176 173.952 176.000 0.213 0.000 1.260 157 Q CA 0.282 56.184 55.803 0.164 0.000 0.815 157 Q CB -2.015 26.779 28.738 0.093 0.000 1.204 157 Q HN 0.508 nan 8.270 nan 0.000 0.444 158 P HA 0.177 nan 4.420 nan 0.000 0.227 158 P C 0.759 178.217 177.300 0.263 0.000 1.801 158 P CA -0.078 63.125 63.100 0.172 0.000 0.971 158 P CB 0.064 31.795 31.700 0.052 0.000 1.653 159 M N -1.477 118.255 119.600 0.220 0.000 2.571 159 M HA 0.188 4.668 4.480 -0.000 0.000 0.259 159 M C 1.007 177.252 176.300 -0.092 0.000 1.205 159 M CA 0.120 55.494 55.300 0.123 0.000 1.138 159 M CB 0.010 32.636 32.600 0.044 0.000 1.329 159 M HN -0.052 nan 8.290 nan 0.000 0.503 160 I N 2.711 123.231 120.570 -0.082 0.000 2.836 160 I HA 0.120 4.290 4.170 -0.000 0.000 0.285 160 I C -2.100 173.844 176.117 -0.288 0.000 1.174 160 I CA -0.827 60.358 61.300 -0.192 0.000 1.405 160 I CB 0.153 38.138 38.000 -0.026 0.000 1.385 160 I HN 0.006 nan 8.210 nan 0.000 0.594 161 P HA 0.550 nan 4.420 nan 0.000 0.332 161 P C -1.528 175.666 177.300 -0.177 0.000 1.233 161 P CA -0.455 62.182 63.100 -0.772 0.000 0.836 161 P CB 1.721 32.559 31.700 -1.436 0.000 1.369 162 T N -1.887 112.654 114.554 -0.022 0.000 4.209 162 T HA 0.670 5.019 4.350 -0.000 0.000 0.319 162 T C -1.383 173.355 174.700 0.062 0.000 0.730 162 T CA -0.389 61.733 62.100 0.036 0.000 0.949 162 T CB -0.346 68.568 68.868 0.077 0.000 1.110 162 T HN 0.666 nan 8.240 nan 0.000 0.470 163 A N 1.644 124.483 122.820 0.031 0.000 2.319 163 A HA 0.609 4.928 4.320 -0.000 0.000 0.298 163 A C 0.770 178.355 177.584 0.001 0.000 1.003 163 A CA -0.242 51.808 52.037 0.021 0.000 0.901 163 A CB -0.164 18.853 19.000 0.027 0.000 1.042 163 A HN 0.981 nan 8.150 nan 0.000 0.352 164 T N 0.348 114.898 114.554 -0.007 0.000 2.453 164 T HA 0.381 4.731 4.350 -0.000 0.000 0.243 164 T C 1.220 175.905 174.700 -0.025 0.000 1.254 164 T CA 2.408 64.490 62.100 -0.030 0.000 1.327 164 T CB -1.000 67.858 68.868 -0.016 0.000 0.885 164 T HN 3.084 nan 8.240 nan 0.000 0.391 165 T N -1.022 113.517 114.554 -0.027 0.000 0.541 165 T HA 0.152 4.502 4.350 -0.000 0.000 0.774 165 T C -0.283 174.389 174.700 -0.046 0.000 0.992 165 T CA -0.364 61.720 62.100 -0.026 0.000 4.077 165 T CB -1.631 67.241 68.868 0.006 0.000 2.303 165 T HN 1.883 nan 8.240 nan 0.000 0.398 166 A N 3.782 126.569 122.820 -0.055 0.000 2.522 166 A HA 0.569 4.889 4.320 -0.000 0.000 0.256 166 A C -1.694 175.823 177.584 -0.111 0.000 1.086 166 A CA -0.676 51.319 52.037 -0.069 0.000 0.763 166 A CB -0.592 18.373 19.000 -0.057 0.000 1.024 166 A HN 0.853 nan 8.150 nan 0.000 0.502 167 P HA 0.057 nan 4.420 nan 0.000 0.264 167 P C -0.613 176.367 177.300 -0.533 0.000 1.183 167 P CA 0.507 63.425 63.100 -0.305 0.000 0.763 167 P CB 0.368 31.863 31.700 -0.341 0.000 0.807 168 K N 3.084 123.231 120.400 -0.423 0.000 2.265 168 K HA 0.314 4.634 4.320 -0.000 0.000 0.267 168 K C -0.393 176.015 176.600 -0.320 0.000 0.994 168 K CA -0.276 55.807 56.287 -0.340 0.000 0.860 168 K CB 1.094 33.517 32.500 -0.128 0.000 1.099 168 K HN 0.445 nan 8.250 nan 0.000 0.448 169 Y N 0.267 120.579 120.300 0.021 0.000 2.784 169 Y HA -0.018 4.532 4.550 -0.000 0.000 0.267 169 Y C 1.193 177.078 175.900 -0.024 0.000 1.117 169 Y CA -0.391 57.711 58.100 0.003 0.000 1.231 169 Y CB -0.070 38.399 38.460 0.015 0.000 1.441 169 Y HN 0.571 nan 8.280 nan 0.000 0.469 170 E N 3.782 124.072 120.200 0.151 0.000 3.218 170 E HA 0.244 4.594 4.350 -0.000 0.000 0.265 170 E C -2.614 173.993 176.600 0.012 0.000 1.393 170 E CA -1.667 54.769 56.400 0.060 0.000 1.160 170 E CB -0.456 29.276 29.700 0.054 0.000 1.272 170 E HN 0.018 nan 8.360 nan 0.000 0.720 171 P HA 0.263 nan 4.420 nan 0.000 0.293 171 P C -0.551 176.729 177.300 -0.033 0.000 1.291 171 P CA -0.638 62.442 63.100 -0.033 0.000 0.867 171 P CB 1.748 33.419 31.700 -0.049 0.000 1.074 172 V N -0.377 119.528 119.914 -0.015 0.000 2.919 172 V HA 0.930 5.050 4.120 -0.000 0.000 0.316 172 V C -0.259 175.822 176.094 -0.022 0.000 1.077 172 V CA -0.560 61.770 62.300 0.049 0.000 0.977 172 V CB 1.669 33.571 31.823 0.131 0.000 1.039 172 V HN 0.624 nan 8.190 nan 0.000 0.441 173 T N 1.352 115.935 114.554 0.047 0.000 3.225 173 T HA 0.599 4.949 4.350 -0.000 0.000 0.356 173 T C -0.032 174.701 174.700 0.055 0.000 1.460 173 T CA 0.026 62.044 62.100 -0.138 0.000 1.126 173 T CB 1.665 70.395 68.868 -0.230 0.000 1.321 173 T HN 1.288 nan 8.240 nan 0.000 0.478 174 G N 1.018 109.892 108.800 0.122 0.000 4.975 174 G HA2 0.504 4.464 3.960 -0.000 0.000 0.312 174 G HA3 0.504 4.464 3.960 -0.000 0.000 0.312 174 G C 0.308 175.225 174.900 0.028 0.000 1.425 174 G CA 0.159 45.318 45.100 0.098 0.000 1.076 174 G HN 0.995 nan 8.290 nan 0.000 0.586 175 D N -0.304 120.077 120.400 -0.031 0.000 2.394 175 D HA -0.303 4.337 4.640 -0.000 0.000 0.169 175 D C 1.829 178.072 176.300 -0.095 0.000 1.214 175 D CA 3.236 57.204 54.000 -0.054 0.000 1.131 175 D CB -1.075 39.709 40.800 -0.026 0.000 1.157 175 D HN 0.487 nan 8.370 nan 0.000 0.455 176 T N -2.444 112.030 114.554 -0.132 0.000 3.021 176 T HA 0.503 4.853 4.350 -0.000 0.000 0.245 176 T C 1.504 175.957 174.700 -0.413 0.000 1.028 176 T CA 0.727 62.718 62.100 -0.182 0.000 1.139 176 T CB 0.256 69.080 68.868 -0.073 0.000 0.884 176 T HN 1.363 nan 8.240 nan 0.000 0.457 177 G N 1.445 109.739 108.800 -0.844 0.000 2.764 177 G HA2 0.097 4.057 3.960 -0.000 0.000 0.686 177 G HA3 0.097 4.057 3.960 -0.000 0.000 0.686 177 G C -1.013 173.039 174.900 -1.414 0.000 1.258 177 G CA -0.645 43.765 45.100 -1.149 0.000 0.846 177 G HN 0.754 nan 8.290 nan 0.000 0.596 178 Y N 0.425 120.657 120.300 -0.112 0.000 2.544 178 Y HA 0.926 5.475 4.550 -0.000 0.000 0.342 178 Y C 0.554 176.376 175.900 -0.130 0.000 1.062 178 Y CA -1.083 56.938 58.100 -0.133 0.000 1.023 178 Y CB 1.412 39.738 38.460 -0.224 0.000 1.308 178 Y HN 1.090 nan 8.280 nan 0.000 0.457 179 R N 0.038 120.545 120.500 0.013 0.000 4.183 179 R HA 0.215 4.555 4.340 -0.000 0.000 0.290 179 R C -0.276 176.008 176.300 -0.027 0.000 0.241 179 R CA 0.299 56.399 56.100 -0.000 0.000 0.985 179 R CB -1.647 28.646 30.300 -0.011 0.000 1.166 179 R HN 1.994 nan 8.270 nan 0.000 0.474 180 G N -0.399 108.380 108.800 -0.035 0.000 2.594 180 G HA2 0.037 3.997 3.960 -0.000 0.000 0.422 180 G HA3 0.037 3.997 3.960 -0.000 0.000 0.422 180 G C 0.377 175.203 174.900 -0.123 0.000 1.190 180 G CA 0.502 45.572 45.100 -0.050 0.000 1.234 180 G HN 0.517 nan 8.290 nan 0.000 0.584 181 M N 2.636 122.140 119.600 -0.159 0.000 2.082 181 M HA -0.078 4.402 4.480 -0.000 0.000 0.258 181 M C 2.694 178.641 176.300 -0.588 0.000 1.071 181 M CA 2.720 57.777 55.300 -0.405 0.000 1.103 181 M CB -0.202 32.268 32.600 -0.217 0.000 1.307 181 M HN 0.884 nan 8.290 nan 0.000 0.409 182 I N -0.025 120.414 120.570 -0.217 0.000 2.065 182 I HA -0.335 3.835 4.170 -0.000 0.000 0.236 182 I C 2.191 178.296 176.117 -0.020 0.000 1.028 182 I CA 2.397 63.694 61.300 -0.005 0.000 1.299 182 I CB -0.828 37.236 38.000 0.108 0.000 1.015 182 I HN 0.345 nan 8.210 nan 0.000 0.396 183 A N -0.030 122.796 122.820 0.010 0.000 2.070 183 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 183 A C 1.953 179.552 177.584 0.025 0.000 1.159 183 A CA 1.928 54.003 52.037 0.064 0.000 0.656 183 A CB -0.885 18.152 19.000 0.063 0.000 0.800 183 A HN 0.728 nan 8.150 nan 0.000 0.453 184 D N -1.358 118.984 120.400 -0.097 0.000 2.144 184 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 184 D C 1.434 177.859 176.300 0.207 0.000 0.984 184 D CA 1.309 55.328 54.000 0.032 0.000 0.834 184 D CB -0.146 40.561 40.800 -0.156 0.000 0.955 184 D HN 0.505 nan 8.370 nan 0.000 0.465 185 Y N -1.238 118.954 120.300 -0.180 0.000 2.397 185 Y HA 0.015 4.565 4.550 -0.000 0.000 0.292 185 Y C 1.328 176.982 175.900 -0.411 0.000 1.115 185 Y CA 0.524 58.352 58.100 -0.454 0.000 1.208 185 Y CB -0.559 37.202 38.460 -1.165 0.000 1.046 185 Y HN 0.099 nan 8.280 nan 0.000 0.552 186 Y N -1.103 119.402 120.300 0.342 0.000 2.453 186 Y HA 0.515 5.065 4.550 -0.000 0.000 0.247 186 Y C 1.560 177.569 175.900 0.181 0.000 1.124 186 Y CA -0.417 57.832 58.100 0.248 0.000 1.243 186 Y CB 0.070 38.657 38.460 0.212 0.000 1.213 186 Y HN 0.053 nan 8.280 nan 0.000 0.523 187 G N 0.808 109.759 108.800 0.252 0.000 2.681 187 G HA2 0.111 4.071 3.960 -0.000 0.000 0.220 187 G HA3 0.111 4.071 3.960 -0.000 0.000 0.220 187 G C -0.069 174.971 174.900 0.234 0.000 1.353 187 G CA -0.452 44.765 45.100 0.196 0.000 0.872 187 G HN 0.635 nan 8.290 nan 0.000 0.557 188 A N -0.864 122.136 122.820 0.300 0.000 2.869 188 A HA 0.813 5.133 4.320 -0.000 0.000 0.244 188 A C -0.064 177.757 177.584 0.396 0.000 1.374 188 A CA 0.585 52.819 52.037 0.328 0.000 0.913 188 A CB 0.407 19.611 19.000 0.340 0.000 1.589 188 A HN 1.001 nan 8.150 nan 0.000 0.485 189 D N -0.474 120.066 120.400 0.234 0.000 2.253 189 D HA 0.458 5.097 4.640 -0.000 0.000 0.249 189 D C 0.786 176.967 176.300 -0.198 0.000 1.049 189 D CA -0.053 54.009 54.000 0.103 0.000 0.929 189 D CB 1.298 42.111 40.800 0.021 0.000 1.176 189 D HN 0.243 nan 8.370 nan 0.000 0.437 190 S N 0.023 115.589 115.700 -0.224 0.000 2.441 190 S HA -0.188 4.282 4.470 -0.000 0.000 0.242 190 S C 1.715 175.738 174.600 -0.962 0.000 1.018 190 S CA 1.750 59.522 58.200 -0.714 0.000 0.988 190 S CB -0.379 62.730 63.200 -0.153 0.000 0.778 190 S HN 0.735 nan 8.310 nan 0.000 0.498 191 T N -0.915 113.326 114.554 -0.522 0.000 3.018 191 T HA 0.136 4.486 4.350 -0.000 0.000 0.246 191 T C 0.547 175.084 174.700 -0.270 0.000 1.026 191 T CA -0.129 61.762 62.100 -0.349 0.000 1.081 191 T CB -0.605 68.160 68.868 -0.172 0.000 0.970 191 T HN 0.348 nan 8.240 nan 0.000 0.475 192 N N 3.360 121.939 118.700 -0.202 0.000 2.365 192 N HA -0.066 4.674 4.740 -0.000 0.000 0.265 192 N C 1.113 176.608 175.510 -0.025 0.000 1.288 192 N CA 0.418 53.426 53.050 -0.070 0.000 0.869 192 N CB 0.513 39.004 38.487 0.007 0.000 1.071 192 N HN 0.356 nan 8.380 nan 0.000 0.480 193 D N 2.272 122.664 120.400 -0.013 0.000 2.078 193 D HA -0.240 4.400 4.640 -0.000 0.000 0.193 193 D C 1.373 177.698 176.300 0.042 0.000 0.990 193 D CA 2.185 56.194 54.000 0.015 0.000 0.827 193 D CB -1.421 39.379 40.800 -0.000 0.000 0.975 193 D HN 0.693 nan 8.370 nan 0.000 0.451 194 T N -1.242 113.326 114.554 0.022 0.000 2.882 194 T HA 0.044 4.394 4.350 -0.000 0.000 0.268 194 T C 1.002 175.715 174.700 0.023 0.000 1.104 194 T CA 1.279 63.384 62.100 0.009 0.000 1.118 194 T CB -0.326 68.534 68.868 -0.014 0.000 0.831 194 T HN 0.554 nan 8.240 nan 0.000 0.529 195 A N -0.395 122.474 122.820 0.082 0.000 2.504 195 A HA 0.721 5.041 4.320 -0.000 0.000 0.285 195 A C -0.783 176.976 177.584 0.291 0.000 1.261 195 A CA -1.053 51.058 52.037 0.123 0.000 0.741 195 A CB 0.642 19.733 19.000 0.151 0.000 1.327 195 A HN 0.417 nan 8.150 nan 0.000 0.441 196 F N -2.350 117.651 119.950 0.085 0.000 2.183 196 F HA 0.227 4.753 4.527 -0.000 0.000 0.321 196 F C 1.017 176.904 175.800 0.144 0.000 1.291 196 F CA 1.575 59.654 58.000 0.132 0.000 0.923 196 F CB -0.400 38.649 39.000 0.081 0.000 4.122 196 F HN 1.963 nan 8.300 nan 0.000 0.155 197 G N 2.512 111.476 108.800 0.273 0.000 2.834 197 G HA2 0.029 3.988 3.960 -0.000 0.000 0.217 197 G HA3 0.029 3.988 3.960 -0.000 0.000 0.217 197 G C -0.186 174.813 174.900 0.164 0.000 0.974 197 G CA -0.092 45.122 45.100 0.190 0.000 0.826 197 G HN 1.698 nan 8.290 nan 0.000 0.584 198 N N -0.383 118.457 118.700 0.233 0.000 2.537 198 N HA 0.067 4.807 4.740 -0.000 0.000 0.286 198 N C 0.834 176.414 175.510 0.117 0.000 1.245 198 N CA 2.185 55.347 53.050 0.187 0.000 0.704 198 N CB -1.033 37.517 38.487 0.106 0.000 0.910 198 N HN 2.305 nan 8.380 nan 0.000 0.542 199 A N -0.288 122.585 122.820 0.089 0.000 3.974 199 A HA 0.021 4.341 4.320 -0.000 0.000 0.197 199 A C 0.580 178.006 177.584 -0.263 0.000 1.204 199 A CA 0.996 52.978 52.037 -0.091 0.000 1.540 199 A CB -1.459 17.533 19.000 -0.013 0.000 0.900 199 A HN 1.577 nan 8.150 nan 0.000 0.773 200 G N -0.075 108.481 108.800 -0.407 0.000 2.617 200 G HA2 0.573 4.533 3.960 -0.000 0.000 0.306 200 G HA3 0.573 4.533 3.960 -0.000 0.000 0.306 200 G C -0.455 174.181 174.900 -0.439 0.000 1.360 200 G CA -0.064 44.843 45.100 -0.322 0.000 0.983 200 G HN 0.857 nan 8.290 nan 0.000 0.496 201 N N 0.418 118.950 118.700 -0.281 0.000 2.789 201 N HA -0.183 4.556 4.740 -0.000 0.000 0.309 201 N C -0.799 174.638 175.510 -0.121 0.000 1.174 201 N CA 0.990 53.947 53.050 -0.155 0.000 0.740 201 N CB -0.476 38.001 38.487 -0.016 0.000 1.019 201 N HN 0.393 nan 8.380 nan 0.000 0.571 202 Y N 2.356 122.542 120.300 -0.191 0.000 2.335 202 Y HA 0.245 4.795 4.550 -0.000 0.000 0.323 202 Y C -1.027 174.714 175.900 -0.264 0.000 1.224 202 Y CA -2.379 55.544 58.100 -0.296 0.000 1.241 202 Y CB 0.352 38.568 38.460 -0.407 0.000 1.235 202 Y HN 0.314 nan 8.280 nan 0.000 0.492 203 P HA -0.178 nan 4.420 nan 0.000 0.234 203 P C 0.276 177.684 177.300 0.180 0.000 1.162 203 P CA 1.453 64.615 63.100 0.102 0.000 0.759 203 P CB 0.039 31.755 31.700 0.027 0.000 0.813 204 H N -0.527 118.639 119.070 0.159 0.000 1.452 204 H HA -0.339 4.217 4.556 -0.000 0.000 0.090 204 H C 2.064 177.437 175.328 0.075 0.000 1.234 204 H CA 2.263 58.383 56.048 0.120 0.000 1.901 204 H CB -1.684 28.182 29.762 0.173 0.000 2.257 204 H HN 0.284 nan 8.280 nan 0.000 0.961 205 H N 0.993 120.198 119.070 0.225 0.000 2.289 205 H HA -0.172 4.384 4.556 -0.000 0.000 0.294 205 H C 1.899 177.286 175.328 0.099 0.000 1.095 205 H CA 2.035 58.152 56.048 0.114 0.000 1.256 205 H CB -0.040 29.829 29.762 0.178 0.000 1.359 205 H HN 0.505 nan 8.280 nan 0.000 0.487 206 Q N 0.353 120.288 119.800 0.224 0.000 2.443 206 Q HA -0.056 4.284 4.340 -0.000 0.000 0.213 206 Q C 1.056 177.026 176.000 -0.050 0.000 0.982 206 Q CA 1.134 57.005 55.803 0.114 0.000 0.894 206 Q CB -0.016 28.858 28.738 0.227 0.000 0.947 206 Q HN 0.570 nan 8.270 nan 0.000 0.480 207 V N -4.311 115.563 119.914 -0.066 0.000 3.535 207 V HA 0.271 4.391 4.120 -0.000 0.000 0.439 207 V C -0.114 175.919 176.094 -0.101 0.000 1.462 207 V CA -0.773 61.471 62.300 -0.093 0.000 1.966 207 V CB 0.547 32.322 31.823 -0.080 0.000 1.026 207 V HN 0.046 nan 8.190 nan 0.000 0.579 208 S N 1.387 116.983 115.700 -0.174 0.000 4.344 208 S HA -0.116 4.354 4.470 -0.000 0.000 0.220 208 S C 0.300 174.720 174.600 -0.299 0.000 0.655 208 S CA 1.567 59.606 58.200 -0.268 0.000 1.293 208 S CB -0.480 62.550 63.200 -0.283 0.000 2.077 208 S HN 1.294 nan 8.310 nan 0.000 0.348 209 S N 3.527 119.039 115.700 -0.314 0.000 2.540 209 S HA 0.671 5.141 4.470 -0.000 0.000 0.275 209 S C -0.604 173.725 174.600 -0.453 0.000 1.123 209 S CA -0.750 57.289 58.200 -0.267 0.000 0.907 209 S CB 0.752 64.153 63.200 0.336 0.000 1.081 209 S HN 0.502 nan 8.310 nan 0.000 0.476 210 F N 1.653 121.455 119.950 -0.248 0.000 2.410 210 F HA 0.636 5.163 4.527 -0.000 0.000 0.334 210 F C 1.264 176.808 175.800 -0.427 0.000 1.134 210 F CA -0.220 57.562 58.000 -0.364 0.000 1.227 210 F CB 0.734 39.454 39.000 -0.467 0.000 1.194 210 F HN 0.452 nan 8.300 nan 0.000 0.571 211 T N 1.301 115.743 114.554 -0.185 0.000 2.853 211 T HA 0.626 4.976 4.350 -0.000 0.000 0.311 211 T C -1.074 173.609 174.700 -0.029 0.000 1.307 211 T CA -0.742 61.285 62.100 -0.122 0.000 1.019 211 T CB 0.487 69.338 68.868 -0.028 0.000 1.264 211 T HN 0.216 nan 8.240 nan 0.000 0.497 212 F N 1.420 121.491 119.950 0.202 0.000 2.380 212 F HA 0.583 5.110 4.527 -0.000 0.000 0.321 212 F C 0.543 176.433 175.800 0.151 0.000 1.103 212 F CA -1.202 56.917 58.000 0.198 0.000 1.067 212 F CB 0.688 39.809 39.000 0.201 0.000 1.265 212 F HN 0.276 nan 8.300 nan 0.000 0.517 213 L N 2.624 124.021 121.223 0.290 0.000 2.314 213 L HA 0.245 4.585 4.340 -0.000 0.000 0.275 213 L C -0.355 176.662 176.870 0.246 0.000 1.068 213 L CA -0.500 54.377 54.840 0.061 0.000 0.894 213 L CB 0.268 42.300 42.059 -0.044 0.000 1.275 213 L HN 0.534 nan 8.230 nan 0.000 0.432 214 Q N 4.237 124.147 119.800 0.184 0.000 2.641 214 Q HA 0.251 4.590 4.340 -0.000 0.000 0.225 214 Q C -0.932 175.144 176.000 0.126 0.000 1.309 214 Q CA 0.060 55.940 55.803 0.127 0.000 0.935 214 Q CB 0.077 28.982 28.738 0.277 0.000 1.557 214 Q HN 0.485 nan 8.270 nan 0.000 0.563 215 N N 1.723 120.504 118.700 0.135 0.000 3.126 215 N HA 0.181 4.921 4.740 -0.000 0.000 0.233 215 N C -1.708 174.064 175.510 0.437 0.000 1.069 215 N CA -0.398 52.745 53.050 0.154 0.000 1.071 215 N CB 1.086 39.680 38.487 0.178 0.000 1.683 215 N HN 0.176 nan 8.380 nan 0.000 0.586 216 Y N 0.776 121.078 120.300 0.003 0.000 2.602 216 Y HA 0.525 5.074 4.550 -0.000 0.000 0.330 216 Y C -0.019 175.928 175.900 0.079 0.000 1.114 216 Y CA -0.896 57.217 58.100 0.023 0.000 1.182 216 Y CB 0.696 39.133 38.460 -0.039 0.000 1.305 216 Y HN 0.512 nan 8.280 nan 0.000 0.502 217 Y N 1.434 121.792 120.300 0.097 0.000 2.524 217 Y HA 0.726 5.276 4.550 -0.000 0.000 0.344 217 Y C -0.778 175.131 175.900 0.015 0.000 1.012 217 Y CA -1.470 56.655 58.100 0.041 0.000 1.068 217 Y CB 1.386 39.859 38.460 0.021 0.000 1.249 217 Y HN 0.762 nan 8.280 nan 0.000 0.468 218 C N 3.777 122.512 119.300 -0.941 0.000 3.336 218 C HA 0.769 5.229 4.460 -0.000 0.000 0.339 218 C C -0.844 173.702 174.990 -0.740 0.000 1.468 218 C CA -1.411 57.143 59.018 -0.773 0.000 1.287 218 C CB 1.194 28.745 27.740 -0.315 0.000 1.682 218 C HN 1.016 nan 8.230 nan 0.000 0.451 219 M N 0.891 120.313 119.600 -0.296 0.000 2.436 219 M HA 0.572 5.052 4.480 -0.000 0.000 0.331 219 M C -1.512 174.988 176.300 0.334 0.000 1.135 219 M CA -0.129 55.200 55.300 0.048 0.000 0.987 219 M CB 1.242 33.978 32.600 0.227 0.000 1.687 219 M HN 0.780 nan 8.290 nan 0.000 0.445 220 Y N 1.690 122.107 120.300 0.195 0.000 2.458 220 Y HA 0.670 5.219 4.550 -0.000 0.000 0.322 220 Y C -0.247 175.746 175.900 0.156 0.000 1.259 220 Y CA -0.458 57.752 58.100 0.184 0.000 1.302 220 Y CB 1.643 40.164 38.460 0.102 0.000 1.314 220 Y HN 0.829 nan 8.280 nan 0.000 0.509 221 Q N 1.563 121.340 119.800 -0.039 0.000 2.898 221 Q HA 0.171 4.511 4.340 -0.000 0.000 0.228 221 Q C -1.473 174.327 176.000 -0.334 0.000 1.012 221 Q CA -0.653 54.997 55.803 -0.255 0.000 0.972 221 Q CB 0.496 28.919 28.738 -0.524 0.000 2.038 221 Q HN 0.648 nan 8.270 nan 0.000 0.497 222 Q N 1.356 120.975 119.800 -0.302 0.000 2.997 222 Q HA 0.753 5.093 4.340 -0.000 0.000 0.195 222 Q C -0.822 175.050 176.000 -0.214 0.000 1.138 222 Q CA 0.062 55.709 55.803 -0.260 0.000 0.552 222 Q CB 0.701 29.299 28.738 -0.232 0.000 4.881 222 Q HN 0.702 nan 8.270 nan 0.000 0.330 223 T N 2.006 116.463 114.554 -0.161 0.000 3.335 223 T HA 0.287 4.637 4.350 -0.000 0.000 0.321 223 T C -0.188 174.452 174.700 -0.100 0.000 0.960 223 T CA 0.103 62.124 62.100 -0.132 0.000 1.034 223 T CB 0.510 69.313 68.868 -0.108 0.000 1.040 223 T HN 0.817 nan 8.240 nan 0.000 0.454 224 N N 2.021 120.664 118.700 -0.095 0.000 2.921 224 N HA -0.176 4.564 4.740 -0.000 0.000 0.205 224 N C -0.116 175.355 175.510 -0.066 0.000 0.945 224 N CA 1.404 54.410 53.050 -0.074 0.000 1.048 224 N CB -0.699 37.754 38.487 -0.057 0.000 0.981 224 N HN 0.500 nan 8.380 nan 0.000 0.590 225 Q N 1.798 121.557 119.800 -0.068 0.000 3.006 225 Q HA 0.654 4.994 4.340 -0.000 0.000 0.260 225 Q C 0.174 176.140 176.000 -0.058 0.000 1.356 225 Q CA 0.900 56.671 55.803 -0.053 0.000 1.070 225 Q CB -0.227 28.485 28.738 -0.044 0.000 1.507 225 Q HN 0.654 nan 8.270 nan 0.000 0.568 226 G N 0.545 109.307 108.800 -0.063 0.000 2.885 226 G HA2 0.116 4.076 3.960 -0.000 0.000 0.685 226 G HA3 0.116 4.076 3.960 -0.000 0.000 0.685 226 G C -0.801 174.039 174.900 -0.099 0.000 1.216 226 G CA -0.674 44.386 45.100 -0.068 0.000 0.790 226 G HN 0.320 nan 8.290 nan 0.000 0.631 227 T N 0.066 114.560 114.554 -0.099 0.000 3.128 227 T HA 0.698 5.048 4.350 -0.000 0.000 0.363 227 T C 0.697 175.325 174.700 -0.121 0.000 1.610 227 T CA 0.397 62.418 62.100 -0.131 0.000 1.126 227 T CB 1.362 70.153 68.868 -0.128 0.000 1.416 227 T HN 2.184 nan 8.240 nan 0.000 0.480 228 G N 0.359 109.065 108.800 -0.157 0.000 4.225 228 G HA2 0.536 4.496 3.960 -0.000 0.000 0.177 228 G HA3 0.536 4.496 3.960 -0.000 0.000 0.177 228 G C 0.430 175.237 174.900 -0.154 0.000 0.949 228 G CA 0.614 45.635 45.100 -0.132 0.000 0.796 228 G HN 1.485 nan 8.290 nan 0.000 0.504 229 G N -1.242 107.413 108.800 -0.243 0.000 2.381 229 G HA2 0.062 4.022 3.960 -0.000 0.000 0.672 229 G HA3 0.062 4.022 3.960 -0.000 0.000 0.672 229 G C -1.241 173.475 174.900 -0.306 0.000 1.324 229 G CA -0.731 44.219 45.100 -0.249 0.000 0.975 229 G HN 0.482 nan 8.290 nan 0.000 0.593 230 W N 2.677 123.905 121.300 -0.120 0.000 2.388 230 W HA 0.482 5.142 4.660 -0.000 0.000 0.308 230 W C -0.564 175.819 176.519 -0.225 0.000 1.263 230 W CA -1.041 56.204 57.345 -0.168 0.000 1.286 230 W CB 0.754 30.153 29.460 -0.101 0.000 1.294 230 W HN 0.623 nan 8.180 nan 0.000 0.493 231 P HA -0.077 nan 4.420 nan 0.000 0.278 231 P C -0.647 176.602 177.300 -0.085 0.000 1.270 231 P CA -0.301 62.597 63.100 -0.338 0.000 0.800 231 P CB 0.817 31.800 31.700 -1.195 0.000 1.142 232 C N 1.426 120.823 119.300 0.163 0.000 2.146 232 C HA 0.225 4.684 4.460 -0.000 0.000 0.338 232 C C 2.066 177.414 174.990 0.597 0.000 1.074 232 C CA -0.680 58.532 59.018 0.324 0.000 1.527 232 C CB -2.346 25.544 27.740 0.250 0.000 1.915 232 C HN 0.525 nan 8.230 nan 0.000 0.453 233 L N 4.517 126.054 121.223 0.523 0.000 1.989 233 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 233 L C 2.700 179.761 176.870 0.319 0.000 1.071 233 L CA 2.213 57.358 54.840 0.509 0.000 0.749 233 L CB -0.552 41.704 42.059 0.329 0.000 0.890 233 L HN 0.846 nan 8.230 nan 0.000 0.431 234 A N 0.494 123.423 122.820 0.182 0.000 2.038 234 A HA -0.277 4.043 4.320 -0.000 0.000 0.224 234 A C 1.591 179.188 177.584 0.021 0.000 1.190 234 A CA 2.291 54.371 52.037 0.071 0.000 0.668 234 A CB -0.769 18.258 19.000 0.045 0.000 0.820 234 A HN 0.785 nan 8.150 nan 0.000 0.474 235 E N -1.808 118.410 120.200 0.030 0.000 2.411 235 E HA 0.246 4.596 4.350 -0.000 0.000 0.204 235 E C -0.299 175.983 176.600 -0.530 0.000 1.059 235 E CA -0.042 56.242 56.400 -0.193 0.000 1.112 235 E CB -0.287 29.295 29.700 -0.197 0.000 1.168 235 E HN 0.769 nan 8.360 nan 0.000 0.445 236 H N 0.165 119.223 119.070 -0.021 0.000 3.109 236 H HA 0.292 4.848 4.556 -0.000 0.000 0.248 236 H C -1.084 174.180 175.328 -0.106 0.000 1.177 236 H CA -0.383 55.615 56.048 -0.084 0.000 0.977 236 H CB 0.711 30.377 29.762 -0.160 0.000 2.165 236 H HN 0.234 nan 8.280 nan 0.000 0.693 237 L N -1.910 119.294 121.223 -0.031 0.000 2.591 237 L HA 0.623 4.963 4.340 -0.000 0.000 0.257 237 L C -1.487 175.310 176.870 -0.123 0.000 0.935 237 L CA -1.302 53.497 54.840 -0.068 0.000 0.873 237 L CB 1.755 43.776 42.059 -0.063 0.000 1.397 237 L HN -0.228 nan 8.230 nan 0.000 0.414 238 Q N 1.103 120.802 119.800 -0.168 0.000 2.215 238 Q HA 0.785 5.124 4.340 -0.000 0.000 0.256 238 Q C -1.278 174.430 176.000 -0.487 0.000 0.972 238 Q CA -0.557 55.028 55.803 -0.364 0.000 0.889 238 Q CB 1.420 29.861 28.738 -0.494 0.000 1.281 238 Q HN 0.654 nan 8.270 nan 0.000 0.456 239 Q N 0.879 120.281 119.800 -0.664 0.000 2.337 239 Q HA 0.681 5.021 4.340 -0.000 0.000 0.270 239 Q C -1.166 174.418 176.000 -0.693 0.000 1.043 239 Q CA -0.436 55.067 55.803 -0.499 0.000 0.794 239 Q CB 1.606 30.193 28.738 -0.253 0.000 1.281 239 Q HN 0.482 nan 8.270 nan 0.000 0.446 240 F N -0.099 119.789 119.950 -0.103 0.000 2.598 240 F HA 0.245 4.772 4.527 -0.000 0.000 0.327 240 F C 0.616 176.358 175.800 -0.096 0.000 1.057 240 F CA -1.202 56.743 58.000 -0.090 0.000 0.957 240 F CB 1.016 39.956 39.000 -0.100 0.000 1.278 240 F HN 0.455 nan 8.300 nan 0.000 0.484 241 D N 0.639 121.118 120.400 0.131 0.000 3.032 241 D HA 0.092 4.731 4.640 -0.000 0.000 0.241 241 D C 1.313 177.642 176.300 0.048 0.000 1.196 241 D CA 0.762 54.799 54.000 0.061 0.000 0.927 241 D CB -0.446 40.388 40.800 0.057 0.000 1.129 241 D HN 0.671 nan 8.370 nan 0.000 0.458 242 S N 1.476 117.160 115.700 -0.027 0.000 2.746 242 S HA -0.511 3.959 4.470 -0.000 0.000 0.526 242 S C 1.906 176.606 174.600 0.167 0.000 0.959 242 S CA 2.371 60.481 58.200 -0.150 0.000 3.281 242 S CB -1.301 61.800 63.200 -0.166 0.000 2.286 242 S HN 0.648 nan 8.310 nan 0.000 0.525 243 K N 1.988 122.501 120.400 0.189 0.000 2.144 243 K HA -0.248 4.072 4.320 -0.000 0.000 0.209 243 K C 2.263 178.937 176.600 0.124 0.000 1.047 243 K CA 2.367 58.758 56.287 0.173 0.000 0.927 243 K CB -1.657 30.907 32.500 0.106 0.000 0.716 243 K HN 0.912 nan 8.250 nan 0.000 0.454 244 T N -0.346 114.266 114.554 0.098 0.000 2.668 244 T HA -0.088 4.261 4.350 -0.000 0.000 0.262 244 T C 2.117 176.853 174.700 0.059 0.000 1.045 244 T CA 1.103 63.245 62.100 0.070 0.000 1.152 244 T CB -0.769 68.142 68.868 0.073 0.000 0.864 244 T HN 0.120 nan 8.240 nan 0.000 0.419 245 V N 2.927 122.875 119.914 0.057 0.000 3.141 245 V HA 0.032 4.152 4.120 -0.000 0.000 0.265 245 V C 1.216 177.388 176.094 0.131 0.000 1.126 245 V CA 0.311 62.600 62.300 -0.018 0.000 1.141 245 V CB -1.352 30.338 31.823 -0.222 0.000 0.743 245 V HN 0.671 nan 8.190 nan 0.000 0.492 246 N N 1.363 120.241 118.700 0.296 0.000 2.226 246 N HA -0.227 4.513 4.740 -0.000 0.000 0.232 246 N C 0.707 176.195 175.510 -0.038 0.000 1.255 246 N CA 1.207 54.393 53.050 0.226 0.000 0.855 246 N CB -0.149 38.387 38.487 0.081 0.000 1.095 246 N HN 0.486 nan 8.380 nan 0.000 0.444 247 N N -0.629 117.932 118.700 -0.231 0.000 2.604 247 N HA -0.246 4.494 4.740 -0.000 0.000 0.246 247 N C -1.221 174.211 175.510 -0.130 0.000 1.190 247 N CA 1.080 54.002 53.050 -0.213 0.000 0.738 247 N CB -0.323 38.055 38.487 -0.181 0.000 1.125 247 N HN 0.541 nan 8.380 nan 0.000 0.561 248 Q N 0.271 120.021 119.800 -0.084 0.000 2.342 248 Q HA 0.378 4.718 4.340 -0.000 0.000 0.267 248 Q C -0.419 175.529 176.000 -0.087 0.000 1.038 248 Q CA -0.782 54.972 55.803 -0.082 0.000 0.832 248 Q CB 1.370 30.060 28.738 -0.080 0.000 1.323 248 Q HN 0.371 nan 8.270 nan 0.000 0.448 249 C N 5.405 124.649 119.300 -0.094 0.000 2.629 249 C HA 0.457 4.917 4.460 -0.000 0.000 0.410 249 C C 0.491 175.407 174.990 -0.124 0.000 1.339 249 C CA -0.670 58.291 59.018 -0.094 0.000 1.810 249 C CB -0.952 26.739 27.740 -0.081 0.000 2.549 249 C HN 0.593 nan 8.230 nan 0.000 0.589 250 L N 5.237 126.378 121.223 -0.137 0.000 3.100 250 L HA 0.551 4.891 4.340 -0.000 0.000 0.259 250 L C -0.103 176.698 176.870 -0.114 0.000 1.316 250 L CA 0.044 54.771 54.840 -0.190 0.000 0.992 250 L CB -1.740 40.151 42.059 -0.280 0.000 1.390 250 L HN 0.748 nan 8.230 nan 0.000 0.550 251 I N 0.127 120.640 120.570 -0.096 0.000 3.002 251 I HA 0.524 4.694 4.170 -0.000 0.000 0.310 251 I C -0.363 175.703 176.117 -0.086 0.000 1.087 251 I CA -0.127 61.114 61.300 -0.098 0.000 1.017 251 I CB 3.146 41.072 38.000 -0.123 0.000 1.226 251 I HN 0.101 nan 8.210 nan 0.000 0.443 252 D N 2.949 123.299 120.400 -0.084 0.000 4.559 252 D HA 0.058 4.697 4.640 -0.000 0.000 0.212 252 D C -1.113 175.167 176.300 -0.033 0.000 1.399 252 D CA 0.092 54.058 54.000 -0.057 0.000 0.822 252 D CB 0.548 41.328 40.800 -0.033 0.000 1.402 252 D HN 0.210 nan 8.370 nan 0.000 0.901 253 V N -1.268 118.600 119.914 -0.076 0.000 2.837 253 V HA 0.922 5.042 4.120 -0.000 0.000 0.310 253 V C 0.239 176.400 176.094 0.111 0.000 1.059 253 V CA -0.098 62.206 62.300 0.006 0.000 1.004 253 V CB 1.801 33.622 31.823 -0.002 0.000 1.045 253 V HN 0.112 nan 8.190 nan 0.000 0.465 254 T N 2.025 116.748 114.554 0.282 0.000 2.901 254 T HA 0.638 4.988 4.350 -0.000 0.000 0.293 254 T C -1.796 173.235 174.700 0.551 0.000 1.084 254 T CA -0.442 61.942 62.100 0.474 0.000 1.008 254 T CB 1.692 70.730 68.868 0.283 0.000 1.170 254 T HN 1.001 nan 8.240 nan 0.000 0.509 255 Y N 1.665 122.159 120.300 0.322 0.000 2.442 255 Y HA 0.632 5.182 4.550 -0.000 0.000 0.344 255 Y C -0.658 175.159 175.900 -0.139 0.000 0.976 255 Y CA -0.991 57.093 58.100 -0.027 0.000 1.040 255 Y CB 1.712 39.891 38.460 -0.468 0.000 1.228 255 Y HN 0.642 nan 8.280 nan 0.000 0.451 256 K N 8.543 128.510 120.400 -0.721 0.000 2.478 256 K HA 0.377 4.697 4.320 -0.000 0.000 0.236 256 K C -2.666 173.268 176.600 -1.111 0.000 1.021 256 K CA -2.409 53.514 56.287 -0.607 0.000 1.010 256 K CB 0.717 33.007 32.500 -0.350 0.000 1.331 256 K HN 0.414 nan 8.250 nan 0.000 0.470 257 P HA -0.142 nan 4.420 nan 0.000 0.263 257 P C -0.086 176.779 177.300 -0.725 0.000 1.175 257 P CA 0.356 62.859 63.100 -0.995 0.000 0.761 257 P CB 0.968 32.506 31.700 -0.270 0.000 0.794 258 K N 2.876 122.681 120.400 -0.990 0.000 2.211 258 K HA -0.041 4.279 4.320 -0.000 0.000 0.203 258 K C 0.516 177.076 176.600 -0.067 0.000 1.050 258 K CA 1.035 57.054 56.287 -0.448 0.000 0.945 258 K CB 0.060 32.387 32.500 -0.289 0.000 0.732 258 K HN 0.336 nan 8.250 nan 0.000 0.451 259 M N 0.562 120.253 119.600 0.152 0.000 2.284 259 M HA 0.237 4.717 4.480 -0.000 0.000 0.229 259 M C -1.073 175.293 176.300 0.110 0.000 0.984 259 M CA -0.220 55.140 55.300 0.100 0.000 1.016 259 M CB 1.775 34.400 32.600 0.042 0.000 2.379 259 M HN 0.114 nan 8.290 nan 0.000 0.459 260 G N 4.155 112.960 108.800 0.009 0.000 4.547 260 G HA2 0.237 4.197 3.960 -0.000 0.000 0.301 260 G HA3 0.237 4.197 3.960 -0.000 0.000 0.301 260 G C -0.059 174.824 174.900 -0.028 0.000 1.240 260 G CA -0.194 44.906 45.100 -0.001 0.000 0.970 260 G HN 0.570 nan 8.290 nan 0.000 0.574 261 L N 2.109 123.294 121.223 -0.064 0.000 2.678 261 L HA 0.196 4.536 4.340 -0.000 0.000 0.276 261 L C 1.068 177.926 176.870 -0.019 0.000 1.142 261 L CA 0.439 55.244 54.840 -0.059 0.000 0.961 261 L CB -0.070 41.925 42.059 -0.107 0.000 1.291 261 L HN 0.477 nan 8.230 nan 0.000 0.476 262 I N 1.288 121.880 120.570 0.036 0.000 3.861 262 I HA 0.272 4.442 4.170 -0.000 0.000 0.329 262 I C 0.106 176.331 176.117 0.181 0.000 1.321 262 I CA -0.125 61.249 61.300 0.123 0.000 1.126 262 I CB -0.053 38.049 38.000 0.170 0.000 1.018 262 I HN 0.334 nan 8.210 nan 0.000 0.407 263 K N 0.802 121.255 120.400 0.088 0.000 2.508 263 K HA 0.412 4.732 4.320 -0.000 0.000 0.260 263 K C -0.671 175.963 176.600 0.057 0.000 0.949 263 K CA -0.697 55.627 56.287 0.062 0.000 0.834 263 K CB 2.322 34.805 32.500 -0.028 0.000 1.365 263 K HN -0.044 nan 8.250 nan 0.000 0.437 264 S N 3.971 119.733 115.700 0.103 0.000 2.626 264 S HA 0.014 4.484 4.470 -0.000 0.000 0.303 264 S C -1.775 172.806 174.600 -0.032 0.000 1.256 264 S CA -0.460 57.789 58.200 0.082 0.000 1.069 264 S CB -0.080 63.261 63.200 0.235 0.000 0.807 264 S HN 0.337 nan 8.310 nan 0.000 0.500 265 P HA -0.021 nan 4.420 nan 0.000 0.273 265 P C -0.470 176.742 177.300 -0.146 0.000 1.252 265 P CA -0.428 62.589 63.100 -0.137 0.000 0.809 265 P CB 0.448 32.034 31.700 -0.189 0.000 1.017 266 L N 1.558 122.697 121.223 -0.139 0.000 2.312 266 L HA 0.268 4.608 4.340 -0.000 0.000 0.281 266 L C 0.470 177.263 176.870 -0.129 0.000 1.070 266 L CA -0.403 54.364 54.840 -0.122 0.000 0.805 266 L CB 0.003 41.998 42.059 -0.106 0.000 1.174 266 L HN 0.335 nan 8.230 nan 0.000 0.434 267 N N 3.025 121.659 118.700 -0.110 0.000 2.488 267 N HA 0.086 4.826 4.740 -0.000 0.000 0.274 267 N C -0.596 174.896 175.510 -0.029 0.000 1.111 267 N CA -0.154 52.839 53.050 -0.094 0.000 0.974 267 N CB 0.541 38.971 38.487 -0.095 0.000 1.089 267 N HN 0.353 nan 8.380 nan 0.000 0.465 268 Y N 1.677 121.917 120.300 -0.100 0.000 2.319 268 Y HA 0.417 4.967 4.550 -0.000 0.000 0.328 268 Y C -0.073 175.829 175.900 0.003 0.000 1.133 268 Y CA -0.660 57.404 58.100 -0.061 0.000 1.265 268 Y CB 0.637 39.050 38.460 -0.077 0.000 1.218 268 Y HN 0.236 nan 8.280 nan 0.000 0.508 269 K N 4.640 124.874 120.400 -0.276 0.000 2.130 269 K HA 0.362 4.682 4.320 -0.000 0.000 0.268 269 K C -0.962 175.289 176.600 -0.582 0.000 0.983 269 K CA -0.695 55.385 56.287 -0.345 0.000 0.893 269 K CB 0.896 33.473 32.500 0.128 0.000 1.066 269 K HN 0.808 nan 8.250 nan 0.000 0.450 270 I N 5.822 126.113 120.570 -0.465 0.000 2.571 270 I HA 0.184 4.354 4.170 -0.000 0.000 0.282 270 I C -0.428 175.623 176.117 -0.110 0.000 1.085 270 I CA 0.355 61.493 61.300 -0.269 0.000 1.677 270 I CB -0.553 37.309 38.000 -0.231 0.000 1.460 270 I HN 0.497 nan 8.210 nan 0.000 0.693 271 I N 0.605 121.133 120.570 -0.070 0.000 3.241 271 I HA 0.384 4.554 4.170 -0.000 0.000 0.333 271 I C 1.091 177.147 176.117 -0.101 0.000 1.534 271 I CA -0.315 60.858 61.300 -0.212 0.000 0.979 271 I CB -0.200 37.398 38.000 -0.671 0.000 1.497 271 I HN 0.273 nan 8.210 nan 0.000 0.530 272 G N 1.027 109.869 108.800 0.069 0.000 3.287 272 G HA2 0.292 4.251 3.960 -0.000 0.000 0.172 272 G HA3 0.292 4.251 3.960 -0.000 0.000 0.172 272 G C 0.153 175.087 174.900 0.057 0.000 1.922 272 G CA 0.577 45.749 45.100 0.119 0.000 0.952 272 G HN 0.401 nan 8.290 nan 0.000 0.520 273 Q N -1.123 118.715 119.800 0.063 0.000 2.555 273 Q HA 0.283 4.622 4.340 -0.000 0.000 0.409 273 Q C -2.553 173.470 176.000 0.038 0.000 0.669 273 Q CA -0.726 55.100 55.803 0.038 0.000 0.911 273 Q CB 0.577 29.336 28.738 0.036 0.000 1.845 273 Q HN 0.223 nan 8.270 nan 0.000 0.292 274 P HA -0.093 nan 4.420 nan 0.000 0.271 274 P C 0.152 177.471 177.300 0.032 0.000 1.238 274 P CA 1.417 64.533 63.100 0.026 0.000 0.794 274 P CB -0.123 31.591 31.700 0.024 0.000 0.959 275 T N -3.109 111.462 114.554 0.028 0.000 3.636 275 T HA -0.246 4.104 4.350 -0.000 0.000 0.228 275 T C 0.683 175.406 174.700 0.039 0.000 0.956 275 T CA 1.708 63.825 62.100 0.029 0.000 1.255 275 T CB -2.078 66.807 68.868 0.029 0.000 0.731 275 T HN 0.242 nan 8.240 nan 0.000 0.553 276 V N 2.320 122.265 119.914 0.051 0.000 2.287 276 V HA 0.400 4.519 4.120 -0.000 0.000 0.246 276 V C 0.643 176.774 176.094 0.062 0.000 1.165 276 V CA -0.170 62.175 62.300 0.076 0.000 1.088 276 V CB -0.216 31.667 31.823 0.099 0.000 1.242 276 V HN 0.496 nan 8.190 nan 0.000 0.497 277 K N 2.328 122.754 120.400 0.044 0.000 3.464 277 K HA -0.151 4.168 4.320 -0.000 0.000 0.286 277 K C 1.494 178.098 176.600 0.007 0.000 1.352 277 K CA 1.035 57.333 56.287 0.018 0.000 0.928 277 K CB -1.974 30.527 32.500 0.003 0.000 1.424 277 K HN 0.761 nan 8.250 nan 0.000 0.484 278 G N 0.087 108.895 108.800 0.014 0.000 2.422 278 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.218 278 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.218 278 G C 0.700 175.604 174.900 0.006 0.000 1.146 278 G CA 1.748 46.853 45.100 0.008 0.000 0.769 278 G HN 0.469 nan 8.290 nan 0.000 0.547 279 T N -1.555 113.006 114.554 0.011 0.000 2.792 279 T HA 0.447 4.796 4.350 -0.000 0.000 0.303 279 T C -0.878 173.832 174.700 0.017 0.000 1.310 279 T CA -0.673 61.433 62.100 0.010 0.000 1.007 279 T CB 1.302 70.177 68.868 0.013 0.000 1.335 279 T HN 0.506 nan 8.240 nan 0.000 0.504 280 I N 1.291 121.870 120.570 0.015 0.000 2.373 280 I HA 0.578 4.748 4.170 -0.000 0.000 0.287 280 I C 0.585 176.718 176.117 0.026 0.000 1.124 280 I CA -0.318 60.995 61.300 0.023 0.000 1.273 280 I CB 0.176 38.186 38.000 0.016 0.000 1.578 280 I HN 0.314 nan 8.210 nan 0.000 0.572 281 S N 2.819 118.536 115.700 0.029 0.000 2.755 281 S HA 0.255 4.725 4.470 -0.000 0.000 0.165 281 S C 1.360 175.980 174.600 0.032 0.000 0.723 281 S CA 0.904 59.120 58.200 0.027 0.000 0.867 281 S CB 0.386 63.599 63.200 0.022 0.000 0.740 281 S HN 0.624 nan 8.310 nan 0.000 0.568 282 V N -2.251 117.683 119.914 0.033 0.000 3.359 282 V HA 0.484 4.604 4.120 -0.000 0.000 0.270 282 V C 1.130 177.246 176.094 0.036 0.000 1.583 282 V CA 0.426 62.746 62.300 0.033 0.000 1.019 282 V CB -0.706 31.133 31.823 0.026 0.000 0.831 282 V HN 0.681 nan 8.190 nan 0.000 0.426 283 G N 3.802 112.623 108.800 0.037 0.000 2.386 283 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.286 283 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.286 283 G C 0.098 175.017 174.900 0.032 0.000 0.831 283 G CA 1.218 46.340 45.100 0.037 0.000 1.018 283 G HN 1.011 nan 8.290 nan 0.000 0.486 284 D N -0.292 120.123 120.400 0.026 0.000 2.294 284 D HA 0.449 5.088 4.640 -0.000 0.000 0.250 284 D C 0.314 176.624 176.300 0.017 0.000 1.058 284 D CA -0.655 53.357 54.000 0.021 0.000 0.950 284 D CB 0.850 41.661 40.800 0.019 0.000 1.158 284 D HN 0.591 nan 8.370 nan 0.000 0.453 285 N N -0.187 118.521 118.700 0.014 0.000 2.484 285 N HA 0.214 4.953 4.740 -0.000 0.000 0.269 285 N C -0.827 174.688 175.510 0.009 0.000 1.237 285 N CA -0.930 52.127 53.050 0.012 0.000 0.838 285 N CB 1.291 39.785 38.487 0.012 0.000 1.593 285 N HN 0.124 nan 8.380 nan 0.000 0.485 286 L N 2.089 123.317 121.223 0.008 0.000 2.363 286 L HA 0.162 4.502 4.340 -0.000 0.000 0.286 286 L C 1.272 178.146 176.870 0.006 0.000 1.106 286 L CA -0.158 54.686 54.840 0.007 0.000 0.859 286 L CB 0.148 42.211 42.059 0.007 0.000 1.223 286 L HN 0.694 nan 8.230 nan 0.000 0.446 287 V N 4.465 124.382 119.914 0.006 0.000 2.672 287 V HA 0.032 4.152 4.120 -0.000 0.000 0.242 287 V C 1.141 177.238 176.094 0.004 0.000 1.059 287 V CA 1.075 63.379 62.300 0.005 0.000 1.081 287 V CB -0.076 31.750 31.823 0.006 0.000 0.752 287 V HN 1.036 nan 8.190 nan 0.000 0.472 288 N N -0.491 118.212 118.700 0.004 0.000 2.901 288 N HA -0.120 4.620 4.740 -0.000 0.000 0.248 288 N C -0.368 175.144 175.510 0.003 0.000 1.044 288 N CA 1.089 54.141 53.050 0.003 0.000 0.847 288 N CB -1.333 37.156 38.487 0.003 0.000 1.127 288 N HN 0.425 nan 8.380 nan 0.000 0.562 289 M N 0.612 120.214 119.600 0.003 0.000 2.457 289 M HA 0.352 4.831 4.480 -0.000 0.000 0.300 289 M C 0.314 176.615 176.300 0.001 0.000 1.141 289 M CA -0.655 54.647 55.300 0.003 0.000 0.901 289 M CB 1.787 34.390 32.600 0.005 0.000 1.687 289 M HN -0.094 nan 8.290 nan 0.000 0.449 290 R N 0.592 121.092 120.500 -0.000 0.000 2.570 290 R HA 0.446 4.786 4.340 -0.000 0.000 0.277 290 R C 0.850 177.144 176.300 -0.010 0.000 1.039 290 R CA 0.307 56.403 56.100 -0.006 0.000 1.065 290 R CB -0.190 30.107 30.300 -0.005 0.000 0.964 290 R HN 0.995 nan 8.270 nan 0.000 0.428 291 G N -0.099 108.685 108.800 -0.026 0.000 4.000 291 G HA2 0.333 4.292 3.960 -0.000 0.000 0.260 291 G HA3 0.333 4.292 3.960 -0.000 0.000 0.260 291 G C -0.348 174.473 174.900 -0.133 0.000 1.047 291 G CA 0.239 45.316 45.100 -0.039 0.000 0.860 291 G HN 0.721 nan 8.290 nan 0.000 0.464 292 A N 0.421 123.157 122.820 -0.140 0.000 2.374 292 A HA 0.794 5.114 4.320 -0.000 0.000 0.317 292 A C 0.300 177.800 177.584 -0.140 0.000 1.094 292 A CA -0.497 51.418 52.037 -0.204 0.000 0.765 292 A CB 1.463 20.431 19.000 -0.054 0.000 1.268 292 A HN 0.832 nan 8.150 nan 0.000 0.438 293 V N 0.241 120.053 119.914 -0.170 0.000 3.332 293 V HA 0.435 4.555 4.120 -0.000 0.000 0.305 293 V C 0.578 176.894 176.094 0.369 0.000 1.114 293 V CA -0.273 62.076 62.300 0.082 0.000 1.194 293 V CB 0.086 31.930 31.823 0.036 0.000 1.027 293 V HN 0.666 nan 8.190 nan 0.000 0.492 294 V N 1.038 121.148 119.914 0.326 0.000 3.164 294 V HA 0.783 4.902 4.120 -0.000 0.000 0.313 294 V C -0.042 175.986 176.094 -0.109 0.000 1.188 294 V CA -0.493 61.850 62.300 0.072 0.000 1.058 294 V CB 2.424 34.265 31.823 0.030 0.000 1.110 294 V HN 1.088 nan 8.190 nan 0.000 0.453 295 T N 1.299 115.718 114.554 -0.225 0.000 3.295 295 T HA 0.353 4.703 4.350 -0.000 0.000 0.331 295 T C -0.948 173.683 174.700 -0.114 0.000 1.142 295 T CA -0.546 61.421 62.100 -0.223 0.000 1.078 295 T CB 0.982 69.568 68.868 -0.470 0.000 1.150 295 T HN 0.707 nan 8.240 nan 0.000 0.465 296 N N 3.670 122.346 118.700 -0.040 0.000 2.430 296 N HA 0.625 5.365 4.740 -0.000 0.000 0.292 296 N C -2.659 172.851 175.510 0.001 0.000 1.051 296 N CA -1.537 51.508 53.050 -0.008 0.000 0.917 296 N CB 1.653 40.157 38.487 0.028 0.000 1.164 296 N HN 0.305 nan 8.380 nan 0.000 0.484 297 P HA 0.353 nan 4.420 nan 0.000 0.178 297 P C -2.903 174.419 177.300 0.037 0.000 1.854 297 P CA -1.542 61.566 63.100 0.013 0.000 1.384 297 P CB 1.378 33.071 31.700 -0.012 0.000 1.533 298 P HA 0.122 nan 4.420 nan 0.000 0.270 298 P C 0.098 177.453 177.300 0.092 0.000 1.242 298 P CA 0.382 63.530 63.100 0.080 0.000 0.768 298 P CB 0.508 32.256 31.700 0.079 0.000 0.820 299 E N 3.049 123.337 120.200 0.146 0.000 1.856 299 E HA 0.324 4.674 4.350 -0.000 0.000 0.263 299 E C -0.442 176.302 176.600 0.239 0.000 1.137 299 E CA -0.619 55.861 56.400 0.134 0.000 1.007 299 E CB -0.039 29.638 29.700 -0.037 0.000 1.117 299 E HN 0.414 nan 8.360 nan 0.000 0.438 300 A N 3.522 126.418 122.820 0.127 0.000 2.409 300 A HA 0.358 4.677 4.320 -0.000 0.000 0.267 300 A C 0.071 177.712 177.584 0.095 0.000 1.127 300 A CA -0.077 52.026 52.037 0.110 0.000 0.795 300 A CB 0.516 19.556 19.000 0.067 0.000 1.061 300 A HN 0.534 nan 8.150 nan 0.000 0.502 301 T N 0.817 115.445 114.554 0.124 0.000 3.041 301 T HA 0.650 5.000 4.350 -0.000 0.000 0.321 301 T C -1.100 173.645 174.700 0.075 0.000 1.184 301 T CA -0.673 61.480 62.100 0.089 0.000 1.050 301 T CB 1.694 70.621 68.868 0.099 0.000 1.159 301 T HN 1.323 nan 8.240 nan 0.000 0.469 302 Q N 2.226 122.049 119.800 0.038 0.000 2.630 302 Q HA 0.423 4.763 4.340 -0.000 0.000 0.295 302 Q C -2.101 173.905 176.000 0.009 0.000 0.944 302 Q CA -0.859 54.958 55.803 0.023 0.000 0.766 302 Q CB 1.691 30.435 28.738 0.011 0.000 1.471 302 Q HN 0.853 nan 8.270 nan 0.000 0.416 303 N N 0.181 118.882 118.700 0.003 0.000 2.716 303 N HA 0.345 5.085 4.740 -0.000 0.000 0.245 303 N C -1.009 174.496 175.510 -0.009 0.000 1.495 303 N CA -0.161 52.887 53.050 -0.003 0.000 0.759 303 N CB 0.732 39.219 38.487 0.000 0.000 1.261 303 N HN 0.583 nan 8.380 nan 0.000 0.515 304 V N -0.068 119.837 119.914 -0.014 0.000 3.944 304 V HA 0.067 4.187 4.120 -0.000 0.000 0.414 304 V C 0.295 176.377 176.094 -0.019 0.000 0.655 304 V CA 0.128 62.416 62.300 -0.020 0.000 1.798 304 V CB -2.249 29.563 31.823 -0.018 0.000 2.225 304 V HN 1.749 nan 8.190 nan 0.000 0.487 305 A N 1.696 124.502 122.820 -0.023 0.000 2.429 305 A HA 0.236 4.556 4.320 -0.000 0.000 0.684 305 A C 0.404 177.981 177.584 -0.013 0.000 0.143 305 A CA 0.770 52.795 52.037 -0.021 0.000 0.046 305 A CB -0.133 18.854 19.000 -0.022 0.000 3.961 305 A HN 2.117 nan 8.150 nan 0.000 0.546 306 E N 1.420 121.615 120.200 -0.008 0.000 2.385 306 E HA 0.768 5.117 4.350 -0.000 0.000 0.254 306 E C 0.246 176.842 176.600 -0.007 0.000 1.228 306 E CA -0.207 56.194 56.400 0.001 0.000 0.956 306 E CB 1.117 30.820 29.700 0.006 0.000 1.116 306 E HN 1.833 nan 8.360 nan 0.000 0.507 307 S N -0.601 115.094 115.700 -0.008 0.000 2.511 307 S HA 0.295 4.765 4.470 -0.000 0.000 0.283 307 S C -1.136 173.404 174.600 -0.099 0.000 1.078 307 S CA -0.098 58.065 58.200 -0.061 0.000 0.994 307 S CB -0.040 63.153 63.200 -0.011 0.000 1.171 307 S HN 0.803 nan 8.310 nan 0.000 0.444 308 T N 1.823 116.232 114.554 -0.242 0.000 2.940 308 T HA 0.914 5.264 4.350 -0.000 0.000 0.288 308 T C -1.216 173.159 174.700 -0.542 0.000 1.045 308 T CA -0.618 61.373 62.100 -0.181 0.000 1.018 308 T CB 1.356 70.208 68.868 -0.026 0.000 1.151 308 T HN 0.723 nan 8.240 nan 0.000 0.529 309 H N -0.507 118.570 119.070 0.011 0.000 3.087 309 H HA 0.608 5.164 4.556 -0.000 0.000 0.348 309 H C -1.105 174.227 175.328 0.007 0.000 1.092 309 H CA -0.849 55.203 56.048 0.007 0.000 1.285 309 H CB 0.776 30.540 29.762 0.003 0.000 1.875 309 H HN 0.533 nan 8.280 nan 0.000 0.512 310 N N 1.439 120.210 118.700 0.118 0.000 2.432 310 N HA 0.692 5.431 4.740 -0.000 0.000 0.292 310 N C -1.213 174.325 175.510 0.047 0.000 1.193 310 N CA -0.856 52.235 53.050 0.069 0.000 0.878 310 N CB 1.669 40.181 38.487 0.043 0.000 1.252 310 N HN 0.402 nan 8.380 nan 0.000 0.520 311 L N 0.127 121.361 121.223 0.019 0.000 2.617 311 L HA 0.273 4.612 4.340 -0.000 0.000 0.259 311 L C -0.201 176.653 176.870 -0.027 0.000 0.995 311 L CA -0.885 53.954 54.840 -0.002 0.000 0.899 311 L CB 0.755 42.809 42.059 -0.008 0.000 1.181 311 L HN 0.556 nan 8.230 nan 0.000 0.437 312 T N -0.379 114.159 114.554 -0.027 0.000 2.871 312 T HA 0.384 4.734 4.350 -0.000 0.000 0.296 312 T C 0.285 174.936 174.700 -0.082 0.000 0.998 312 T CA -0.291 61.778 62.100 -0.051 0.000 1.162 312 T CB 0.336 69.183 68.868 -0.035 0.000 0.947 312 T HN 0.480 nan 8.240 nan 0.000 0.536 313 R N 3.535 123.947 120.500 -0.148 0.000 2.445 313 R HA 0.423 4.762 4.340 -0.000 0.000 0.308 313 R C 0.010 176.128 176.300 -0.303 0.000 0.961 313 R CA -0.692 55.282 56.100 -0.209 0.000 0.862 313 R CB 1.451 31.582 30.300 -0.281 0.000 1.144 313 R HN 0.704 nan 8.270 nan 0.000 0.447 314 N N 2.431 121.021 118.700 -0.183 0.000 2.432 314 N HA 0.528 5.268 4.740 -0.000 0.000 0.292 314 N C -1.059 174.501 175.510 0.083 0.000 1.193 314 N CA -0.401 52.608 53.050 -0.067 0.000 0.878 314 N CB 1.448 39.949 38.487 0.022 0.000 1.252 314 N HN 0.251 nan 8.380 nan 0.000 0.520 315 F N -1.913 118.028 119.950 -0.015 0.000 2.985 315 F HA 0.619 5.146 4.527 -0.000 0.000 0.322 315 F C -2.851 172.943 175.800 -0.010 0.000 1.187 315 F CA -2.477 55.522 58.000 -0.002 0.000 0.910 315 F CB -0.943 38.069 39.000 0.020 0.000 1.411 315 F HN 0.240 nan 8.300 nan 0.000 0.492 316 P HA 0.440 nan 4.420 nan 0.000 0.296 316 P C -0.951 176.307 177.300 -0.071 0.000 1.358 316 P CA 1.557 64.637 63.100 -0.033 0.000 0.876 316 P CB 0.101 31.804 31.700 0.005 0.000 1.471 317 A N -1.625 121.180 122.820 -0.024 0.000 2.483 317 A HA 0.553 4.873 4.320 -0.000 0.000 0.294 317 A C -0.759 176.907 177.584 0.137 0.000 1.077 317 A CA 0.211 52.268 52.037 0.033 0.000 0.633 317 A CB 0.564 19.419 19.000 -0.242 0.000 1.318 317 A HN 0.427 nan 8.150 nan 0.000 0.455 318 D N -2.010 118.547 120.400 0.262 0.000 2.107 318 D HA 0.021 4.661 4.640 -0.000 0.000 0.636 318 D C -0.061 176.297 176.300 0.098 0.000 0.811 318 D CA 0.138 54.274 54.000 0.226 0.000 1.172 318 D CB -0.165 40.775 40.800 0.234 0.000 1.419 318 D HN 0.636 nan 8.370 nan 0.000 0.409 319 L N 1.537 122.843 121.223 0.139 0.000 2.499 319 L HA 0.299 4.639 4.340 -0.000 0.000 0.281 319 L C 0.364 177.359 176.870 0.209 0.000 1.234 319 L CA 0.165 55.118 54.840 0.189 0.000 0.839 319 L CB -0.018 42.159 42.059 0.198 0.000 1.104 319 L HN -0.099 nan 8.230 nan 0.000 0.500 320 F N 2.243 122.260 119.950 0.112 0.000 2.290 320 F HA 0.002 4.529 4.527 -0.000 0.000 0.282 320 F C 1.406 177.320 175.800 0.190 0.000 1.251 320 F CA 0.916 58.987 58.000 0.119 0.000 1.269 320 F CB 0.205 39.268 39.000 0.105 0.000 1.455 320 F HN 0.651 nan 8.300 nan 0.000 0.501 321 N N -0.816 118.176 118.700 0.486 0.000 2.075 321 N HA 0.336 5.076 4.740 -0.000 0.000 0.226 321 N C -1.255 174.505 175.510 0.415 0.000 1.343 321 N CA 0.084 53.393 53.050 0.432 0.000 0.881 321 N CB 1.033 39.685 38.487 0.276 0.000 1.100 321 N HN 0.205 nan 8.380 nan 0.000 0.495 322 I N 0.188 121.006 120.570 0.413 0.000 2.715 322 I HA 0.259 4.429 4.170 -0.000 0.000 0.288 322 I C -2.022 174.330 176.117 0.392 0.000 1.371 322 I CA -0.797 60.704 61.300 0.335 0.000 1.056 322 I CB 2.195 40.379 38.000 0.306 0.000 1.339 322 I HN -0.136 nan 8.210 nan 0.000 0.425 323 Y N 4.338 124.691 120.300 0.089 0.000 2.558 323 Y HA 0.563 5.113 4.550 -0.000 0.000 0.333 323 Y C 0.059 175.989 175.900 0.049 0.000 1.125 323 Y CA -0.198 57.939 58.100 0.061 0.000 1.039 323 Y CB 2.121 40.575 38.460 -0.011 0.000 1.331 323 Y HN 0.533 nan 8.280 nan 0.000 0.456 324 S N 2.539 117.510 115.700 -1.215 0.000 4.597 324 S HA -0.076 4.393 4.470 -0.000 0.000 0.049 324 S C 0.614 174.783 174.600 -0.719 0.000 0.858 324 S CA 0.437 58.200 58.200 -0.729 0.000 0.952 324 S CB -0.920 62.130 63.200 -0.249 0.000 0.460 324 S HN 0.902 nan 8.310 nan 0.000 0.794 325 D N 2.352 122.324 120.400 -0.714 0.000 2.407 325 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 325 D C 1.258 177.552 176.300 -0.009 0.000 1.024 325 D CA 1.803 55.644 54.000 -0.265 0.000 0.924 325 D CB -0.365 40.412 40.800 -0.038 0.000 0.888 325 D HN 0.632 nan 8.370 nan 0.000 0.456 326 I N 1.177 121.705 120.570 -0.070 0.000 3.472 326 I HA -0.059 4.111 4.170 -0.000 0.000 0.313 326 I C 0.781 176.860 176.117 -0.065 0.000 1.173 326 I CA 0.501 61.784 61.300 -0.029 0.000 1.198 326 I CB -1.382 36.599 38.000 -0.031 0.000 0.992 326 I HN -0.040 nan 8.210 nan 0.000 0.538 327 E N 1.256 121.427 120.200 -0.048 0.000 2.311 327 E HA 0.003 4.353 4.350 -0.000 0.000 0.198 327 E C 1.608 178.109 176.600 -0.164 0.000 1.115 327 E CA -0.005 56.367 56.400 -0.046 0.000 1.140 327 E CB 0.069 29.782 29.700 0.023 0.000 1.204 327 E HN 0.609 nan 8.360 nan 0.000 0.446 328 K N -1.240 118.902 120.400 -0.430 0.000 2.137 328 K HA 0.134 4.453 4.320 -0.000 0.000 0.202 328 K C 1.617 177.993 176.600 -0.373 0.000 1.052 328 K CA 0.515 56.229 56.287 -0.954 0.000 0.961 328 K CB -0.008 31.741 32.500 -1.251 0.000 0.741 328 K HN -0.205 nan 8.250 nan 0.000 0.452 329 S N 1.180 116.765 115.700 -0.192 0.000 2.803 329 S HA -0.040 4.430 4.470 -0.000 0.000 0.226 329 S C 0.153 174.731 174.600 -0.036 0.000 0.962 329 S CA 0.048 58.205 58.200 -0.070 0.000 0.968 329 S CB -0.357 62.835 63.200 -0.014 0.000 0.786 329 S HN 0.397 nan 8.310 nan 0.000 0.527 330 Q N 1.327 121.092 119.800 -0.058 0.000 2.221 330 Q HA 0.391 4.731 4.340 -0.000 0.000 0.242 330 Q C 0.175 176.183 176.000 0.014 0.000 0.940 330 Q CA -0.727 55.084 55.803 0.014 0.000 0.896 330 Q CB 1.051 29.825 28.738 0.059 0.000 1.226 330 Q HN 0.251 nan 8.270 nan 0.000 0.463 331 V N 1.226 121.174 119.914 0.058 0.000 3.332 331 V HA -0.028 4.092 4.120 -0.000 0.000 0.305 331 V C 0.921 177.056 176.094 0.068 0.000 1.114 331 V CA 0.100 62.428 62.300 0.047 0.000 1.194 331 V CB 0.082 31.957 31.823 0.087 0.000 1.027 331 V HN 0.991 nan 8.190 nan 0.000 0.492 332 L N 0.261 121.522 121.223 0.064 0.000 2.228 332 L HA 0.217 4.557 4.340 -0.000 0.000 0.196 332 L C 1.641 178.597 176.870 0.143 0.000 1.162 332 L CA 0.371 55.269 54.840 0.096 0.000 0.801 332 L CB -0.169 41.966 42.059 0.126 0.000 0.983 332 L HN 0.900 nan 8.230 nan 0.000 0.471 333 H N 1.233 120.370 119.070 0.113 0.000 3.017 333 H HA 0.041 4.597 4.556 -0.000 0.000 0.276 333 H C -0.414 174.943 175.328 0.049 0.000 1.062 333 H CA 0.004 56.104 56.048 0.086 0.000 1.486 333 H CB 0.502 30.373 29.762 0.183 0.000 1.507 333 H HN 0.217 nan 8.280 nan 0.000 0.508 334 K N 4.082 124.237 120.400 -0.408 0.000 2.965 334 K HA 0.123 4.443 4.320 -0.000 0.000 0.216 334 K C 1.624 177.808 176.600 -0.693 0.000 1.164 334 K CA -0.083 55.859 56.287 -0.576 0.000 1.153 334 K CB 0.757 32.773 32.500 -0.807 0.000 1.045 334 K HN 0.757 nan 8.250 nan 0.000 0.460 335 G N 2.330 110.504 108.800 -1.044 0.000 2.442 335 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.219 335 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.219 335 G C -1.033 173.804 174.900 -0.106 0.000 1.141 335 G CA 0.618 45.488 45.100 -0.384 0.000 0.763 335 G HN 0.289 nan 8.290 nan 0.000 0.554 336 P HA 0.065 nan 4.420 nan 0.000 0.249 336 P C 0.902 178.401 177.300 0.330 0.000 1.229 336 P CA 0.584 63.795 63.100 0.185 0.000 0.788 336 P CB 0.027 31.868 31.700 0.234 0.000 1.072 337 W N -2.777 118.535 121.300 0.020 0.000 2.977 337 W HA 0.433 5.092 4.660 -0.000 0.000 0.236 337 W C 0.246 176.788 176.519 0.038 0.000 1.053 337 W CA 0.156 57.515 57.345 0.024 0.000 1.375 337 W CB -0.650 28.822 29.460 0.020 0.000 0.814 337 W HN -0.204 nan 8.180 nan 0.000 0.713 338 G N 3.252 111.869 108.800 -0.305 0.000 2.915 338 G HA2 0.214 4.173 3.960 -0.000 0.000 0.298 338 G HA3 0.214 4.173 3.960 -0.000 0.000 0.298 338 G C -0.535 174.356 174.900 -0.016 0.000 0.837 338 G CA -0.276 44.684 45.100 -0.233 0.000 1.752 338 G HN 0.430 nan 8.290 nan 0.000 0.526 339 H N -0.128 118.953 119.070 0.019 0.000 2.878 339 H HA 0.419 4.974 4.556 -0.000 0.000 0.290 339 H C -0.020 175.371 175.328 0.104 0.000 1.065 339 H CA -0.485 55.605 56.048 0.069 0.000 1.477 339 H CB 1.014 30.828 29.762 0.086 0.000 1.484 339 H HN 0.304 nan 8.280 nan 0.000 0.504 340 E N 4.002 124.239 120.200 0.063 0.000 2.229 340 E HA 0.106 4.456 4.350 -0.000 0.000 0.283 340 E C -0.112 176.484 176.600 -0.006 0.000 1.030 340 E CA -0.020 56.338 56.400 -0.070 0.000 0.836 340 E CB 0.402 30.062 29.700 -0.066 0.000 1.068 340 E HN 0.987 nan 8.360 nan 0.000 0.401 341 N N 2.457 121.075 118.700 -0.136 0.000 6.114 341 N HA -0.213 4.527 4.740 -0.000 0.000 0.393 341 N C -2.305 173.445 175.510 0.401 0.000 0.998 341 N CA 0.203 53.290 53.050 0.062 0.000 2.178 341 N CB -0.660 37.834 38.487 0.012 0.000 0.678 341 N HN 0.286 nan 8.380 nan 0.000 0.598 342 P HA -0.126 nan 4.420 nan 0.000 0.260 342 P C -0.184 177.273 177.300 0.262 0.000 1.264 342 P CA 1.242 64.523 63.100 0.302 0.000 0.748 342 P CB -0.070 31.714 31.700 0.140 0.000 1.025 343 Q N -0.999 118.995 119.800 0.323 0.000 3.081 343 Q HA 0.590 4.929 4.340 -0.000 0.000 0.204 343 Q C 0.257 176.296 176.000 0.065 0.000 1.168 343 Q CA -0.060 55.831 55.803 0.147 0.000 0.349 343 Q CB 0.392 29.186 28.738 0.094 0.000 5.722 343 Q HN -0.087 nan 8.270 nan 0.000 0.302 344 I N -2.930 117.684 120.570 0.073 0.000 3.078 344 I HA 0.563 4.733 4.170 -0.000 0.000 0.310 344 I C -1.132 175.019 176.117 0.057 0.000 1.483 344 I CA -0.820 60.505 61.300 0.043 0.000 0.929 344 I CB 1.238 39.240 38.000 0.004 0.000 1.320 344 I HN 0.536 nan 8.210 nan 0.000 0.552 345 Q N -0.753 119.083 119.800 0.060 0.000 3.046 345 Q HA 0.498 4.838 4.340 -0.000 0.000 0.334 345 Q C -2.744 173.306 176.000 0.083 0.000 0.815 345 Q CA -0.585 55.256 55.803 0.065 0.000 0.941 345 Q CB 1.019 29.798 28.738 0.068 0.000 1.411 345 Q HN 0.734 nan 8.270 nan 0.000 0.490 346 P HA 0.444 nan 4.420 nan 0.000 0.272 346 P C -1.660 175.753 177.300 0.188 0.000 1.165 346 P CA -0.135 63.037 63.100 0.120 0.000 0.693 346 P CB 0.463 32.216 31.700 0.089 0.000 1.831 347 S N -1.027 114.844 115.700 0.286 0.000 2.588 347 S HA 0.644 5.114 4.470 -0.000 0.000 0.275 347 S C -0.969 173.929 174.600 0.498 0.000 1.130 347 S CA -0.722 57.666 58.200 0.312 0.000 0.855 347 S CB 1.484 64.821 63.200 0.228 0.000 1.116 347 S HN 0.224 nan 8.310 nan 0.000 0.472 348 V N 1.790 121.902 119.914 0.330 0.000 2.539 348 V HA 0.416 4.536 4.120 -0.000 0.000 0.292 348 V C -0.006 176.190 176.094 0.170 0.000 1.045 348 V CA -0.558 61.894 62.300 0.253 0.000 0.945 348 V CB 0.905 32.810 31.823 0.137 0.000 0.993 348 V HN 1.073 nan 8.190 nan 0.000 0.464 349 H N 5.882 124.857 119.070 -0.158 0.000 2.928 349 H HA 0.225 4.781 4.556 -0.000 0.000 0.338 349 H C 0.429 175.402 175.328 -0.591 0.000 1.047 349 H CA -0.620 54.868 56.048 -0.932 0.000 1.435 349 H CB 0.562 29.817 29.762 -0.845 0.000 1.428 349 H HN 0.566 nan 8.280 nan 0.000 0.590 350 I N 3.063 123.465 120.570 -0.280 0.000 3.437 350 I HA 0.099 4.269 4.170 -0.000 0.000 0.274 350 I C 1.389 177.633 176.117 0.212 0.000 1.215 350 I CA 0.410 61.773 61.300 0.105 0.000 1.215 350 I CB 0.411 38.641 38.000 0.384 0.000 1.441 350 I HN 0.752 nan 8.210 nan 0.000 0.677 351 G N 2.083 111.069 108.800 0.309 0.000 2.519 351 G HA2 0.763 4.723 3.960 -0.000 0.000 0.307 351 G HA3 0.763 4.723 3.960 -0.000 0.000 0.307 351 G C -1.056 173.977 174.900 0.223 0.000 1.266 351 G CA -0.555 44.751 45.100 0.344 0.000 0.970 351 G HN 0.611 nan 8.290 nan 0.000 0.481 352 I N -1.539 119.081 120.570 0.084 0.000 2.569 352 I HA 0.662 4.832 4.170 -0.000 0.000 0.290 352 I C -1.410 174.630 176.117 -0.128 0.000 1.088 352 I CA -1.087 60.122 61.300 -0.151 0.000 1.047 352 I CB 2.414 40.133 38.000 -0.470 0.000 1.237 352 I HN 0.295 nan 8.210 nan 0.000 0.421 353 Q N 3.898 123.611 119.800 -0.145 0.000 2.353 353 Q HA 0.861 5.200 4.340 -0.000 0.000 0.268 353 Q C -0.977 174.951 176.000 -0.121 0.000 1.045 353 Q CA -0.464 55.257 55.803 -0.136 0.000 0.811 353 Q CB 2.678 31.310 28.738 -0.177 0.000 1.305 353 Q HN 0.915 nan 8.270 nan 0.000 0.447 354 A N 1.595 124.349 122.820 -0.110 0.000 2.401 354 A HA 0.977 5.297 4.320 -0.000 0.000 0.310 354 A C -1.030 176.482 177.584 -0.120 0.000 1.075 354 A CA -0.533 51.454 52.037 -0.083 0.000 0.746 354 A CB 1.121 20.100 19.000 -0.035 0.000 1.277 354 A HN 0.888 nan 8.150 nan 0.000 0.425 355 V N -2.975 116.871 119.914 -0.113 0.000 3.122 355 V HA 0.667 4.787 4.120 -0.000 0.000 0.269 355 V C -3.369 172.641 176.094 -0.140 0.000 1.924 355 V CA -1.392 60.822 62.300 -0.144 0.000 0.951 355 V CB 1.556 33.250 31.823 -0.215 0.000 1.337 355 V HN 0.844 nan 8.190 nan 0.000 0.450 356 P HA 0.703 nan 4.420 nan 0.000 0.310 356 P C -0.649 176.601 177.300 -0.083 0.000 1.505 356 P CA -0.163 62.873 63.100 -0.106 0.000 1.118 356 P CB 2.006 33.669 31.700 -0.063 0.000 1.177 357 A N 4.113 126.884 122.820 -0.081 0.000 2.531 357 A HA 0.174 4.494 4.320 -0.000 0.000 0.236 357 A C 0.241 177.781 177.584 -0.073 0.000 1.062 357 A CA -0.076 51.909 52.037 -0.086 0.000 0.760 357 A CB -0.390 18.578 19.000 -0.053 0.000 0.995 357 A HN 0.633 nan 8.150 nan 0.000 0.501 358 L N 2.619 123.739 121.223 -0.172 0.000 2.462 358 L HA 0.178 4.518 4.340 -0.000 0.000 0.272 358 L C 0.727 177.665 176.870 0.112 0.000 1.166 358 L CA 0.800 55.556 54.840 -0.139 0.000 0.880 358 L CB 0.316 42.133 42.059 -0.403 0.000 1.142 358 L HN 0.756 nan 8.230 nan 0.000 0.473 359 T N 3.448 118.115 114.554 0.188 0.000 2.831 359 T HA 0.105 4.455 4.350 -0.000 0.000 0.291 359 T C 0.284 175.242 174.700 0.430 0.000 0.981 359 T CA -0.163 62.090 62.100 0.255 0.000 1.174 359 T CB -0.568 68.415 68.868 0.192 0.000 0.929 359 T HN 0.759 nan 8.240 nan 0.000 0.532 360 T N 2.368 117.142 114.554 0.368 0.000 2.884 360 T HA 0.474 4.824 4.350 -0.000 0.000 0.298 360 T C 1.113 175.844 174.700 0.052 0.000 0.998 360 T CA -0.983 61.228 62.100 0.186 0.000 1.124 360 T CB 0.970 69.866 68.868 0.047 0.000 0.931 360 T HN 0.690 nan 8.240 nan 0.000 0.531 361 G N 0.497 109.265 108.800 -0.054 0.000 2.614 361 G HA2 0.415 4.375 3.960 -0.000 0.000 0.239 361 G HA3 0.415 4.375 3.960 -0.000 0.000 0.239 361 G C 0.882 175.750 174.900 -0.053 0.000 1.240 361 G CA -0.498 44.581 45.100 -0.036 0.000 0.842 361 G HN 1.024 nan 8.290 nan 0.000 0.584 362 A N 1.865 124.666 122.820 -0.031 0.000 2.265 362 A HA 0.188 4.508 4.320 -0.000 0.000 0.213 362 A C 1.488 179.043 177.584 -0.048 0.000 1.255 362 A CA -0.109 51.910 52.037 -0.030 0.000 0.862 362 A CB -1.084 17.909 19.000 -0.011 0.000 0.852 362 A HN 1.325 nan 8.150 nan 0.000 0.484 363 L N -0.031 121.148 121.223 -0.073 0.000 3.153 363 L HA -0.044 4.296 4.340 -0.000 0.000 0.307 363 L C 0.373 177.207 176.870 -0.061 0.000 0.932 363 L CA -0.582 54.211 54.840 -0.079 0.000 1.069 363 L CB -1.433 40.556 42.059 -0.117 0.000 1.621 363 L HN 0.303 nan 8.230 nan 0.000 0.419 364 L N 3.248 124.444 121.223 -0.046 0.000 2.332 364 L HA 0.228 4.568 4.340 -0.000 0.000 0.219 364 L C 1.736 178.585 176.870 -0.035 0.000 1.199 364 L CA -0.080 54.739 54.840 -0.035 0.000 0.830 364 L CB -0.713 41.329 42.059 -0.028 0.000 1.192 364 L HN 0.686 nan 8.230 nan 0.000 0.571 365 I N -1.764 118.791 120.570 -0.026 0.000 4.800 365 I HA -0.529 3.641 4.170 -0.000 0.000 0.053 365 I C 1.340 177.441 176.117 -0.027 0.000 0.636 365 I CA 2.408 63.694 61.300 -0.023 0.000 0.444 365 I CB -1.069 36.919 38.000 -0.021 0.000 0.451 365 I HN 0.859 nan 8.210 nan 0.000 0.162 366 N N 2.135 120.817 118.700 -0.029 0.000 2.581 366 N HA 0.029 4.768 4.740 -0.000 0.000 0.230 366 N C -0.334 175.153 175.510 -0.039 0.000 1.310 366 N CA 0.404 53.436 53.050 -0.030 0.000 0.886 366 N CB 0.002 38.473 38.487 -0.027 0.000 1.205 366 N HN 0.239 nan 8.380 nan 0.000 0.488 367 S N -0.238 115.435 115.700 -0.045 0.000 2.434 367 S HA 0.301 4.770 4.470 -0.000 0.000 0.318 367 S C 0.708 175.278 174.600 -0.049 0.000 1.062 367 S CA -0.487 57.678 58.200 -0.059 0.000 1.116 367 S CB 0.672 63.822 63.200 -0.082 0.000 0.977 367 S HN 0.149 nan 8.310 nan 0.000 0.480 368 S N 2.983 118.657 115.700 -0.043 0.000 2.733 368 S HA 0.239 4.709 4.470 -0.000 0.000 0.247 368 S C -2.099 172.479 174.600 -0.036 0.000 1.043 368 S CA -0.371 57.809 58.200 -0.035 0.000 1.066 368 S CB 0.273 63.458 63.200 -0.024 0.000 1.045 368 S HN 0.561 nan 8.310 nan 0.000 0.586 369 P HA 0.525 nan 4.420 nan 0.000 0.287 369 P C -1.337 175.905 177.300 -0.095 0.000 1.270 369 P CA -0.567 62.504 63.100 -0.050 0.000 0.844 369 P CB 0.855 32.527 31.700 -0.047 0.000 1.068 370 L N 3.305 124.461 121.223 -0.111 0.000 2.337 370 L HA 0.345 4.685 4.340 -0.000 0.000 0.269 370 L C 0.377 177.040 176.870 -0.345 0.000 1.018 370 L CA -0.012 54.685 54.840 -0.238 0.000 0.876 370 L CB -0.831 41.101 42.059 -0.211 0.000 1.236 370 L HN 0.613 nan 8.230 nan 0.000 0.436 371 N N 0.203 118.646 118.700 -0.428 0.000 2.142 371 N HA 0.106 4.846 4.740 -0.000 0.000 0.233 371 N C -0.510 174.615 175.510 -0.642 0.000 1.335 371 N CA -0.454 52.345 53.050 -0.418 0.000 0.837 371 N CB 0.624 39.040 38.487 -0.118 0.000 1.238 371 N HN 0.297 nan 8.380 nan 0.000 0.501 372 S N 1.097 116.343 115.700 -0.756 0.000 2.442 372 S HA 0.340 4.810 4.470 -0.000 0.000 0.297 372 S C -1.377 172.865 174.600 -0.596 0.000 1.131 372 S CA -0.488 57.419 58.200 -0.488 0.000 1.092 372 S CB 0.408 63.457 63.200 -0.252 0.000 0.998 372 S HN 0.280 nan 8.310 nan 0.000 0.478 373 W N 1.495 122.811 121.300 0.027 0.000 2.538 373 W HA 0.322 4.982 4.660 -0.000 0.000 0.322 373 W C -0.118 176.432 176.519 0.051 0.000 1.028 373 W CA -0.884 56.484 57.345 0.039 0.000 1.228 373 W CB 1.075 30.562 29.460 0.045 0.000 1.356 373 W HN 0.339 nan 8.180 nan 0.000 0.452 374 T N 2.852 117.614 114.554 0.345 0.000 2.814 374 T HA 0.058 4.408 4.350 -0.000 0.000 0.297 374 T C -0.268 174.568 174.700 0.227 0.000 0.956 374 T CA -0.369 61.867 62.100 0.227 0.000 1.123 374 T CB 0.101 69.079 68.868 0.182 0.000 0.902 374 T HN 0.250 nan 8.240 nan 0.000 0.528 375 D N 2.666 123.184 120.400 0.197 0.000 2.493 375 D HA 0.331 4.971 4.640 -0.000 0.000 0.240 375 D C 0.032 176.461 176.300 0.215 0.000 1.142 375 D CA 0.303 54.427 54.000 0.207 0.000 0.872 375 D CB 0.319 41.225 40.800 0.178 0.000 1.173 375 D HN 0.520 nan 8.370 nan 0.000 0.467 376 S N 1.272 117.123 115.700 0.251 0.000 2.543 376 S HA 0.544 5.014 4.470 -0.000 0.000 0.273 376 S C -0.869 173.869 174.600 0.230 0.000 1.152 376 S CA -1.140 57.187 58.200 0.211 0.000 0.910 376 S CB 1.230 64.531 63.200 0.169 0.000 1.105 376 S HN 0.498 nan 8.310 nan 0.000 0.465 377 M N 2.711 122.393 119.600 0.137 0.000 2.259 377 M HA 0.676 5.156 4.480 -0.000 0.000 0.304 377 M C -0.399 175.907 176.300 0.010 0.000 1.019 377 M CA -0.204 55.087 55.300 -0.016 0.000 0.922 377 M CB 1.729 34.255 32.600 -0.124 0.000 1.600 377 M HN 1.024 nan 8.290 nan 0.000 0.433 378 G N 3.379 112.193 108.800 0.023 0.000 2.343 378 G HA2 0.368 4.328 3.960 -0.000 0.000 0.319 378 G HA3 0.368 4.328 3.960 -0.000 0.000 0.319 378 G C -1.884 173.106 174.900 0.150 0.000 1.126 378 G CA -0.240 44.946 45.100 0.143 0.000 0.889 378 G HN 0.716 nan 8.290 nan 0.000 0.457 379 Y N 4.951 125.253 120.300 0.003 0.000 2.594 379 Y HA 0.514 5.064 4.550 -0.000 0.000 0.342 379 Y C -0.319 175.600 175.900 0.031 0.000 1.010 379 Y CA -2.322 55.778 58.100 0.001 0.000 1.270 379 Y CB -0.008 38.430 38.460 -0.036 0.000 1.125 379 Y HN 0.313 nan 8.280 nan 0.000 0.513 380 I N 5.550 126.313 120.570 0.322 0.000 2.353 380 I HA 0.177 4.347 4.170 -0.000 0.000 0.293 380 I C -0.189 176.018 176.117 0.151 0.000 0.992 380 I CA -0.550 60.843 61.300 0.155 0.000 1.268 380 I CB 1.204 39.323 38.000 0.198 0.000 1.387 380 I HN 0.418 nan 8.210 nan 0.000 0.478 381 D N 6.188 126.546 120.400 -0.069 0.000 2.359 381 D HA 0.337 4.977 4.640 -0.000 0.000 0.230 381 D C -0.852 175.405 176.300 -0.072 0.000 1.118 381 D CA -0.065 53.887 54.000 -0.081 0.000 0.844 381 D CB 1.816 42.484 40.800 -0.221 0.000 1.059 381 D HN 0.075 nan 8.370 nan 0.000 0.493 382 V N 4.685 124.535 119.914 -0.107 0.000 2.448 382 V HA 0.384 4.504 4.120 -0.000 0.000 0.295 382 V C 0.051 176.073 176.094 -0.120 0.000 1.025 382 V CA -0.786 61.476 62.300 -0.063 0.000 0.859 382 V CB 1.790 33.661 31.823 0.080 0.000 0.988 382 V HN 0.499 nan 8.190 nan 0.000 0.431 383 M N 4.658 124.209 119.600 -0.082 0.000 2.294 383 M HA 0.682 5.162 4.480 -0.000 0.000 0.335 383 M C -0.436 175.831 176.300 -0.056 0.000 1.079 383 M CA 0.403 55.643 55.300 -0.100 0.000 0.982 383 M CB 1.786 34.341 32.600 -0.076 0.000 1.651 383 M HN 0.633 nan 8.290 nan 0.000 0.437 384 S N 2.713 118.358 115.700 -0.092 0.000 2.532 384 S HA 0.960 5.429 4.470 -0.000 0.000 0.301 384 S C -1.243 173.381 174.600 0.040 0.000 1.083 384 S CA -0.344 57.812 58.200 -0.074 0.000 1.025 384 S CB 1.198 64.216 63.200 -0.304 0.000 1.056 384 S HN 0.919 nan 8.310 nan 0.000 0.494 385 S N 1.285 117.124 115.700 0.231 0.000 2.625 385 S HA 0.867 5.337 4.470 -0.000 0.000 0.271 385 S C -0.661 174.261 174.600 0.537 0.000 1.161 385 S CA -0.586 57.817 58.200 0.337 0.000 0.820 385 S CB 0.627 63.949 63.200 0.203 0.000 1.137 385 S HN 1.776 nan 8.310 nan 0.000 0.470 386 C N -0.809 118.732 119.300 0.401 0.000 3.259 386 C HA 0.814 5.274 4.460 -0.000 0.000 0.344 386 C C 1.209 176.319 174.990 0.200 0.000 1.401 386 C CA 0.153 59.339 59.018 0.280 0.000 1.219 386 C CB 0.651 28.503 27.740 0.188 0.000 1.521 386 C HN 1.288 nan 8.230 nan 0.000 0.455 387 T N -1.093 113.533 114.554 0.121 0.000 3.045 387 T HA 0.191 4.541 4.350 -0.000 0.000 0.239 387 T C 0.764 175.525 174.700 0.101 0.000 1.008 387 T CA 0.775 62.913 62.100 0.063 0.000 1.143 387 T CB -0.693 68.190 68.868 0.024 0.000 0.894 387 T HN 1.112 nan 8.240 nan 0.000 0.451 388 V N 3.929 123.923 119.914 0.133 0.000 2.953 388 V HA 0.306 4.425 4.120 -0.000 0.000 0.304 388 V C 0.270 176.412 176.094 0.080 0.000 1.138 388 V CA 0.406 62.767 62.300 0.101 0.000 1.266 388 V CB -0.302 31.605 31.823 0.140 0.000 0.923 388 V HN 0.781 nan 8.190 nan 0.000 0.505 389 M N 2.422 122.046 119.600 0.040 0.000 3.213 389 M HA 0.989 5.468 4.480 -0.000 0.000 0.278 389 M C -0.965 175.341 176.300 0.009 0.000 1.332 389 M CA -0.913 54.400 55.300 0.021 0.000 0.810 389 M CB 1.833 34.435 32.600 0.004 0.000 1.676 389 M HN 0.690 nan 8.290 nan 0.000 0.463 390 E N -0.087 120.115 120.200 0.003 0.000 2.373 390 E HA 0.776 5.125 4.350 -0.000 0.000 0.272 390 E C -2.148 174.452 176.600 -0.001 0.000 1.231 390 E CA -0.337 56.060 56.400 -0.006 0.000 0.906 390 E CB -0.055 29.637 29.700 -0.013 0.000 1.397 390 E HN 1.399 nan 8.360 nan 0.000 0.410 391 A N -0.315 122.499 122.820 -0.010 0.000 2.387 391 A HA 0.820 5.140 4.320 -0.000 0.000 0.298 391 A C -1.138 176.425 177.584 -0.036 0.000 1.165 391 A CA -0.565 51.472 52.037 0.000 0.000 0.814 391 A CB 1.282 20.288 19.000 0.010 0.000 1.357 391 A HN 0.435 nan 8.150 nan 0.000 0.443 392 Q N 0.568 120.336 119.800 -0.054 0.000 3.605 392 Q HA 0.331 4.671 4.340 -0.000 0.000 0.222 392 Q C -2.763 173.037 176.000 -0.333 0.000 0.915 392 Q CA -0.986 54.740 55.803 -0.128 0.000 0.731 392 Q CB 2.207 30.908 28.738 -0.062 0.000 1.423 392 Q HN 0.653 nan 8.270 nan 0.000 0.446 393 P HA 0.493 nan 4.420 nan 0.000 0.285 393 P C -0.746 175.999 177.300 -0.925 0.000 1.285 393 P CA -0.578 61.716 63.100 -1.343 0.000 0.854 393 P CB 2.177 33.487 31.700 -0.650 0.000 1.180 394 T N -0.975 112.960 114.554 -1.031 0.000 3.295 394 T HA 0.315 4.665 4.350 -0.000 0.000 0.331 394 T C -0.661 173.922 174.700 -0.195 0.000 1.142 394 T CA -0.275 61.602 62.100 -0.371 0.000 1.078 394 T CB 0.375 69.103 68.868 -0.233 0.000 1.150 394 T HN 0.376 nan 8.240 nan 0.000 0.465 395 H N 2.902 121.804 119.070 -0.279 0.000 2.652 395 H HA 0.484 5.040 4.556 -0.000 0.000 0.274 395 H C -0.777 174.302 175.328 -0.415 0.000 1.021 395 H CA 0.006 55.851 56.048 -0.338 0.000 1.187 395 H CB 0.253 29.748 29.762 -0.444 0.000 1.505 395 H HN 0.387 nan 8.280 nan 0.000 0.530 396 F N 1.230 121.211 119.950 0.051 0.000 2.493 396 F HA 0.271 4.798 4.527 -0.000 0.000 0.329 396 F C -1.383 174.424 175.800 0.011 0.000 1.126 396 F CA -3.365 54.665 58.000 0.050 0.000 0.937 396 F CB 1.796 40.837 39.000 0.068 0.000 1.146 396 F HN -0.073 nan 8.300 nan 0.000 0.442 397 P HA -0.242 nan 4.420 nan 0.000 0.218 397 P C 0.777 177.940 177.300 -0.228 0.000 1.152 397 P CA 2.058 65.147 63.100 -0.019 0.000 0.857 397 P CB 0.194 31.944 31.700 0.083 0.000 0.787 398 F N -0.706 119.294 119.950 0.083 0.000 2.781 398 F HA 0.167 4.694 4.527 -0.000 0.000 0.322 398 F C 1.245 177.073 175.800 0.047 0.000 1.108 398 F CA -0.423 57.604 58.000 0.046 0.000 1.179 398 F CB 0.128 39.140 39.000 0.020 0.000 1.072 398 F HN -0.169 nan 8.300 nan 0.000 0.545 399 S N -0.723 115.101 115.700 0.206 0.000 2.549 399 S HA 0.118 4.588 4.470 -0.000 0.000 0.283 399 S C 1.021 175.678 174.600 0.095 0.000 1.320 399 S CA 0.321 58.616 58.200 0.159 0.000 1.058 399 S CB 1.417 64.746 63.200 0.215 0.000 0.882 399 S HN 0.281 nan 8.310 nan 0.000 0.498 400 T N 2.877 117.473 114.554 0.071 0.000 3.127 400 T HA 0.140 4.490 4.350 -0.000 0.000 0.207 400 T C 0.447 175.160 174.700 0.021 0.000 0.912 400 T CA 0.418 62.543 62.100 0.042 0.000 2.256 400 T CB -0.712 68.176 68.868 0.033 0.000 1.591 400 T HN 0.842 nan 8.240 nan 0.000 0.397 401 E N 0.909 121.114 120.200 0.009 0.000 2.369 401 E HA 0.524 4.874 4.350 -0.000 0.000 0.255 401 E C 0.153 176.728 176.600 -0.042 0.000 1.172 401 E CA -0.413 55.980 56.400 -0.013 0.000 0.932 401 E CB 0.506 30.200 29.700 -0.010 0.000 1.040 401 E HN 0.751 nan 8.360 nan 0.000 0.454 402 A N 2.754 125.530 122.820 -0.073 0.000 2.642 402 A HA -0.089 4.231 4.320 -0.000 0.000 0.228 402 A C 0.146 177.672 177.584 -0.096 0.000 1.045 402 A CA 0.740 52.708 52.037 -0.117 0.000 0.760 402 A CB -0.315 18.618 19.000 -0.110 0.000 0.958 402 A HN 0.771 nan 8.150 nan 0.000 0.505 403 N N 0.161 118.786 118.700 -0.124 0.000 2.710 403 N HA 0.443 5.182 4.740 -0.000 0.000 0.257 403 N C -0.475 174.979 175.510 -0.093 0.000 1.140 403 N CA 0.051 53.055 53.050 -0.077 0.000 0.953 403 N CB 1.095 39.571 38.487 -0.019 0.000 1.664 403 N HN 0.645 nan 8.380 nan 0.000 0.497 404 T N -0.619 113.907 114.554 -0.046 0.000 1.850 404 T HA 0.541 4.891 4.350 -0.000 0.000 0.176 404 T C -0.449 174.263 174.700 0.020 0.000 0.702 404 T CA -0.031 62.033 62.100 -0.059 0.000 1.184 404 T CB -0.263 68.558 68.868 -0.077 0.000 3.221 404 T HN 0.835 nan 8.240 nan 0.000 0.405 405 N N -0.102 118.622 118.700 0.040 0.000 3.265 405 N HA 0.379 5.119 4.740 -0.000 0.000 0.235 405 N C -3.066 172.282 175.510 -0.270 0.000 1.343 405 N CA -1.392 51.666 53.050 0.012 0.000 0.904 405 N CB 0.705 39.144 38.487 -0.079 0.000 1.492 405 N HN 0.090 nan 8.380 nan 0.000 0.504 406 P HA -0.046 nan 4.420 nan 0.000 0.221 406 P C 1.460 178.586 177.300 -0.290 0.000 1.145 406 P CA 1.826 64.563 63.100 -0.606 0.000 0.795 406 P CB -0.076 31.217 31.700 -0.679 0.000 0.775 407 G N 0.694 109.357 108.800 -0.228 0.000 2.661 407 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.224 407 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.224 407 G C 1.186 176.013 174.900 -0.121 0.000 1.114 407 G CA 1.952 46.971 45.100 -0.135 0.000 0.751 407 G HN 0.467 nan 8.290 nan 0.000 0.609 408 N N -1.762 116.843 118.700 -0.159 0.000 2.218 408 N HA -0.029 4.710 4.740 -0.000 0.000 0.224 408 N C 1.761 177.106 175.510 -0.276 0.000 1.248 408 N CA 1.380 54.332 53.050 -0.164 0.000 0.875 408 N CB -0.742 37.667 38.487 -0.131 0.000 1.165 408 N HN 0.231 nan 8.380 nan 0.000 0.485 409 T N -0.569 113.781 114.554 -0.339 0.000 2.701 409 T HA -0.255 4.095 4.350 -0.000 0.000 0.265 409 T C 0.842 175.268 174.700 -0.457 0.000 1.032 409 T CA 1.774 63.660 62.100 -0.356 0.000 1.158 409 T CB -0.532 68.111 68.868 -0.375 0.000 0.854 409 T HN 0.599 nan 8.240 nan 0.000 0.463 410 I N -2.518 117.634 120.570 -0.697 0.000 1.556 410 I HA 0.207 4.377 4.170 -0.000 0.000 0.310 410 I C -2.180 173.433 176.117 -0.840 0.000 3.206 410 I CA -1.034 59.943 61.300 -0.539 0.000 1.060 410 I CB 0.112 37.913 38.000 -0.331 0.000 2.590 410 I HN 0.311 nan 8.210 nan 0.000 0.697 411 Y N 2.811 122.950 120.300 -0.268 0.000 2.393 411 Y HA 0.469 5.019 4.550 -0.000 0.000 0.320 411 Y C -0.452 175.403 175.900 -0.075 0.000 1.241 411 Y CA -0.533 57.427 58.100 -0.234 0.000 1.122 411 Y CB 0.955 39.109 38.460 -0.510 0.000 1.322 411 Y HN 0.626 nan 8.280 nan 0.000 0.441 412 R N 2.209 122.829 120.500 0.199 0.000 2.700 412 R HA 0.873 5.212 4.340 -0.000 0.000 0.253 412 R C -1.647 174.772 176.300 0.199 0.000 1.091 412 R CA -0.797 55.468 56.100 0.275 0.000 1.104 412 R CB 1.822 32.358 30.300 0.392 0.000 1.202 412 R HN 0.626 nan 8.270 nan 0.000 0.532 413 I N 2.507 123.185 120.570 0.180 0.000 2.448 413 I HA 0.298 4.468 4.170 -0.000 0.000 0.281 413 I C -1.532 174.539 176.117 -0.076 0.000 1.027 413 I CA -1.127 60.100 61.300 -0.122 0.000 1.111 413 I CB 1.049 38.720 38.000 -0.549 0.000 1.236 413 I HN 0.656 nan 8.210 nan 0.000 0.452 414 N N 7.549 126.222 118.700 -0.045 0.000 2.503 414 N HA 0.638 5.378 4.740 -0.000 0.000 0.267 414 N C -1.106 174.411 175.510 0.011 0.000 1.214 414 N CA -0.376 52.661 53.050 -0.023 0.000 0.959 414 N CB 0.939 39.435 38.487 0.015 0.000 1.142 414 N HN 0.365 nan 8.380 nan 0.000 0.455 415 L N 0.018 121.239 121.223 -0.004 0.000 2.540 415 L HA 0.320 4.660 4.340 -0.000 0.000 0.256 415 L C 1.004 177.876 176.870 0.003 0.000 1.001 415 L CA -0.352 54.507 54.840 0.031 0.000 0.843 415 L CB 1.660 43.752 42.059 0.056 0.000 1.436 415 L HN 0.661 nan 8.230 nan 0.000 0.410 416 T N 0.789 115.353 114.554 0.017 0.000 2.652 416 T HA -0.011 4.339 4.350 -0.000 0.000 0.267 416 T C -1.365 173.331 174.700 -0.007 0.000 1.039 416 T CA 1.313 63.417 62.100 0.007 0.000 1.153 416 T CB -0.866 68.008 68.868 0.011 0.000 0.863 416 T HN 0.565 nan 8.240 nan 0.000 0.428 417 P HA 0.302 nan 4.420 nan 0.000 0.328 417 P C -0.820 176.465 177.300 -0.025 0.000 1.288 417 P CA -0.773 62.317 63.100 -0.017 0.000 0.786 417 P CB 0.514 32.202 31.700 -0.020 0.000 1.388 418 N N -0.247 118.445 118.700 -0.013 0.000 2.345 418 N HA -0.035 4.705 4.740 -0.000 0.000 0.243 418 N C -0.539 174.966 175.510 -0.008 0.000 1.246 418 N CA 0.265 53.314 53.050 -0.003 0.000 0.863 418 N CB -0.204 38.328 38.487 0.075 0.000 1.096 418 N HN 0.175 nan 8.380 nan 0.000 0.446 419 S N 1.683 117.322 115.700 -0.102 0.000 2.422 419 S HA 0.282 4.752 4.470 -0.000 0.000 0.308 419 S C 0.356 174.960 174.600 0.007 0.000 1.097 419 S CA -0.799 57.326 58.200 -0.125 0.000 1.099 419 S CB -0.056 62.851 63.200 -0.488 0.000 0.976 419 S HN 0.529 nan 8.310 nan 0.000 0.471 420 L N 2.894 124.192 121.223 0.125 0.000 3.826 420 L HA -0.155 4.184 4.340 -0.000 0.000 0.566 420 L C 0.084 176.995 176.870 0.069 0.000 1.217 420 L CA 0.033 54.946 54.840 0.122 0.000 0.823 420 L CB -2.083 40.042 42.059 0.111 0.000 1.381 420 L HN 0.650 nan 8.230 nan 0.000 0.825 421 T N 0.551 115.321 114.554 0.360 0.000 3.462 421 T HA 0.056 4.406 4.350 -0.000 0.000 0.257 421 T C 1.022 175.511 174.700 -0.352 0.000 1.015 421 T CA 0.432 62.867 62.100 0.560 0.000 1.135 421 T CB 0.136 69.940 68.868 1.561 0.000 1.061 421 T HN 0.408 nan 8.240 nan 0.000 0.772 422 S N 2.710 118.246 115.700 -0.274 0.000 2.503 422 S HA 0.438 4.908 4.470 -0.000 0.000 0.317 422 S C 0.787 175.357 174.600 -0.050 0.000 1.162 422 S CA -0.265 57.743 58.200 -0.320 0.000 1.124 422 S CB -0.357 62.738 63.200 -0.175 0.000 1.207 422 S HN 0.817 nan 8.310 nan 0.000 0.538 423 A N 4.011 126.790 122.820 -0.068 0.000 2.240 423 A HA 0.418 4.738 4.320 -0.000 0.000 0.225 423 A C -0.493 177.288 177.584 0.329 0.000 2.778 423 A CA -0.676 51.462 52.037 0.167 0.000 1.834 423 A CB -0.822 18.323 19.000 0.242 0.000 0.363 423 A HN 1.203 nan 8.150 nan 0.000 0.767 424 F N -1.718 118.255 119.950 0.038 0.000 2.625 424 F HA 0.496 5.023 4.527 -0.000 0.000 0.311 424 F C -1.082 174.756 175.800 0.064 0.000 0.999 424 F CA -1.443 56.575 58.000 0.031 0.000 1.056 424 F CB -0.616 38.404 39.000 0.034 0.000 1.311 424 F HN -0.046 nan 8.300 nan 0.000 0.548 425 N N 1.667 120.437 118.700 0.117 0.000 2.482 425 N HA 0.501 5.241 4.740 -0.000 0.000 0.260 425 N C 0.525 176.089 175.510 0.089 0.000 1.236 425 N CA 0.191 53.292 53.050 0.085 0.000 0.938 425 N CB 1.006 39.596 38.487 0.171 0.000 1.128 425 N HN 1.055 nan 8.380 nan 0.000 0.448 426 G N -0.574 108.249 108.800 0.038 0.000 2.525 426 G HA2 0.457 4.417 3.960 -0.000 0.000 0.276 426 G HA3 0.457 4.417 3.960 -0.000 0.000 0.276 426 G C 0.042 174.991 174.900 0.082 0.000 1.388 426 G CA -0.364 44.745 45.100 0.015 0.000 1.050 426 G HN 0.494 nan 8.290 nan 0.000 0.520 427 L N -1.943 119.335 121.223 0.091 0.000 3.659 427 L HA 0.155 4.495 4.340 -0.000 0.000 0.372 427 L C 0.806 177.799 176.870 0.205 0.000 1.332 427 L CA -0.395 54.526 54.840 0.134 0.000 1.045 427 L CB -0.004 42.139 42.059 0.139 0.000 1.360 427 L HN 0.761 nan 8.230 nan 0.000 0.600 428 Y N 0.502 120.837 120.300 0.059 0.000 2.913 428 Y HA -0.435 4.114 4.550 -0.000 0.000 0.492 428 Y C 1.590 177.518 175.900 0.048 0.000 0.848 428 Y CA 2.078 60.207 58.100 0.049 0.000 3.257 428 Y CB -0.661 37.831 38.460 0.052 0.000 0.641 428 Y HN 0.390 nan 8.280 nan 0.000 0.573 429 G N -0.549 108.389 108.800 0.229 0.000 2.557 429 G HA2 0.310 4.269 3.960 -0.000 0.000 0.292 429 G HA3 0.310 4.269 3.960 -0.000 0.000 0.292 429 G C -0.696 174.256 174.900 0.087 0.000 1.237 429 G CA -0.410 44.787 45.100 0.162 0.000 0.978 429 G HN 0.254 nan 8.290 nan 0.000 0.498 430 N N -0.056 118.671 118.700 0.045 0.000 2.438 430 N HA 0.300 5.040 4.740 -0.000 0.000 0.282 430 N C 0.642 176.197 175.510 0.074 0.000 1.037 430 N CA -0.157 52.859 53.050 -0.056 0.000 0.942 430 N CB 1.688 40.047 38.487 -0.213 0.000 1.136 430 N HN 0.609 nan 8.380 nan 0.000 0.481 431 G N 0.666 109.581 108.800 0.191 0.000 2.559 431 G HA2 0.275 4.235 3.960 -0.000 0.000 0.235 431 G HA3 0.275 4.235 3.960 -0.000 0.000 0.235 431 G C -0.079 175.144 174.900 0.538 0.000 1.266 431 G CA -0.369 44.962 45.100 0.386 0.000 0.847 431 G HN 0.604 nan 8.290 nan 0.000 0.583 432 A N 1.494 124.511 122.820 0.327 0.000 2.736 432 A HA 0.681 5.001 4.320 -0.000 0.000 0.335 432 A C 0.493 178.149 177.584 0.120 0.000 1.446 432 A CA 0.219 52.421 52.037 0.276 0.000 1.028 432 A CB 0.041 19.136 19.000 0.158 0.000 1.154 432 A HN 1.642 nan 8.150 nan 0.000 0.507 433 T N -0.034 114.480 114.554 -0.066 0.000 2.893 433 T HA 0.424 4.774 4.350 -0.000 0.000 0.337 433 T C -1.755 172.484 174.700 -0.769 0.000 1.587 433 T CA -0.527 61.381 62.100 -0.320 0.000 1.066 433 T CB 0.764 69.487 68.868 -0.242 0.000 1.414 433 T HN 0.757 nan 8.240 nan 0.000 0.488 434 L N 3.737 124.683 121.223 -0.461 0.000 2.264 434 L HA 0.763 5.103 4.340 -0.000 0.000 0.287 434 L C 0.815 177.502 176.870 -0.306 0.000 1.039 434 L CA 0.214 54.788 54.840 -0.443 0.000 0.829 434 L CB 0.398 42.365 42.059 -0.154 0.000 1.211 434 L HN 1.027 nan 8.230 nan 0.000 0.427 435 G N 3.685 112.292 108.800 -0.321 0.000 2.491 435 G HA2 0.232 4.192 3.960 -0.000 0.000 0.242 435 G HA3 0.232 4.192 3.960 -0.000 0.000 0.242 435 G C 0.051 174.938 174.900 -0.021 0.000 1.266 435 G CA 0.367 45.415 45.100 -0.086 0.000 0.844 435 G HN 1.067 nan 8.290 nan 0.000 0.571 436 N N 0.000 118.723 118.700 0.039 0.000 1.763 436 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 436 N CA 0.000 53.080 53.050 0.050 0.000 0.885 436 N CB 0.000 38.465 38.487 -0.037 0.000 1.341 436 N HN 0.000 nan 8.380 nan 0.000 0.667