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 2gpw_1_A DATA FIRST_RESID -3 DATA SEQUENCE RGSHMLDKIV IANRGEIALR ILRACKELGI KTVAVHSSAD RDLKHVLLAD DATA SEQUENCE ETVCIGPAPS VKSYLNIPAI ISAAEITGAV AIHPGYGFLS ENANFAEQVE DATA SEQUENCE RSGFIFIGPK AETIRLMGDK VSAIAAMKKA GVPCVPGSDG PLGDDMDKNR DATA SEQUENCE AIAKRIGYPV IIKASGGXXX XXMRVVRGDA ELAQSISMTR AEAKAAFXND DATA SEQUENCE MVYMEKYLEN PRHVEIQVLA DGQGNAIYLA ERDCSMQRRH QKVVEEAPAP DATA SEQUENCE GITPELRRYI GERCAKACVD IGYRGAGTFE FLFENGEFYF IEMNTRIQVE DATA SEQUENCE HPVTEMITGV DLIKEQLRIA AGQPLSIKQE EVHVRGHAVE CRINAEDPNT DATA SEQUENCE FLPSPGKITR FHAPGGAGVR WESHIYAGYT VPPYYDSMIG KLICYGENRD DATA SEQUENCE VAIARMKNAL QELIIDGIKT NVDLQIRIMN DENFQHGGTN IHYLEKKLGL DATA SEQUENCE Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -3 R HA 0.000 nan 4.340 nan 0.000 0.208 -3 R C 0.000 176.303 176.300 0.005 0.000 0.893 -3 R CA 0.000 56.106 56.100 0.010 0.000 0.921 -3 R CB 0.000 30.305 30.300 0.008 0.000 0.687 -2 G N 0.291 109.098 108.800 0.011 0.000 3.069 -2 G HA2 -0.012 3.949 3.960 0.001 0.000 0.235 -2 G HA3 -0.012 3.949 3.960 0.001 0.000 0.235 -2 G C -0.135 174.776 174.900 0.019 0.000 3.841 -2 G CA 0.271 45.374 45.100 0.005 0.000 0.498 -2 G HN 0.478 nan 8.290 nan 0.000 0.354 -1 S N -0.070 115.656 115.700 0.043 0.000 2.653 -1 S HA 0.410 4.880 4.470 0.001 0.000 0.259 -1 S C 0.175 174.849 174.600 0.124 0.000 1.076 -1 S CA 1.027 59.265 58.200 0.063 0.000 1.051 -1 S CB 0.408 63.644 63.200 0.060 0.000 0.994 -1 S HN 1.414 nan 8.310 nan 0.000 0.552 0 H N -0.471 118.600 119.070 0.002 0.000 3.114 0 H HA 0.312 4.868 4.556 0.001 0.000 0.325 0 H C 0.337 175.667 175.328 0.003 0.000 1.206 0 H CA -0.171 55.878 56.048 0.002 0.000 1.316 0 H CB 0.520 30.283 29.762 0.002 0.000 1.981 0 H HN 0.035 nan 8.280 nan 0.000 0.527 1 M N 2.896 122.219 119.600 -0.461 0.000 2.108 1 M HA 0.012 4.492 4.480 0.001 0.000 0.261 1 M C -0.066 176.208 176.300 -0.043 0.000 1.066 1 M CA 1.632 56.803 55.300 -0.214 0.000 1.107 1 M CB 0.059 32.518 32.600 -0.236 0.000 1.356 1 M HN 0.579 nan 8.290 nan 0.000 0.406 2 L N 2.082 123.361 121.223 0.094 0.000 2.437 2 L HA 0.021 4.361 4.340 0.001 0.000 0.243 2 L C 0.926 177.931 176.870 0.226 0.000 1.346 2 L CA -0.584 54.386 54.840 0.218 0.000 1.233 2 L CB -0.810 41.423 42.059 0.290 0.000 1.436 2 L HN 0.402 nan 8.230 nan 0.000 0.416 3 D N 0.804 121.282 120.400 0.131 0.000 2.263 3 D HA -0.178 4.462 4.640 0.001 0.000 0.208 3 D C 0.689 177.032 176.300 0.072 0.000 0.971 3 D CA 0.901 54.961 54.000 0.100 0.000 0.867 3 D CB 0.522 41.360 40.800 0.064 0.000 0.929 3 D HN 0.375 nan 8.370 nan 0.000 0.492 4 K N -0.040 120.402 120.400 0.071 0.000 2.535 4 K HA 0.520 4.840 4.320 0.001 0.000 0.250 4 K C -1.681 174.948 176.600 0.047 0.000 0.948 4 K CA -0.650 55.667 56.287 0.049 0.000 0.796 4 K CB 1.880 34.407 32.500 0.044 0.000 1.216 4 K HN -0.093 nan 8.250 nan 0.000 0.432 5 I N 3.602 124.189 120.570 0.028 0.000 2.582 5 I HA 0.286 4.456 4.170 0.001 0.000 0.292 5 I C -0.522 175.598 176.117 0.004 0.000 1.066 5 I CA -1.365 59.948 61.300 0.021 0.000 1.053 5 I CB 2.311 40.327 38.000 0.027 0.000 1.241 5 I HN 0.264 nan 8.210 nan 0.000 0.421 6 V N 6.679 126.586 119.914 -0.011 0.000 2.406 6 V HA 0.288 4.409 4.120 0.001 0.000 0.272 6 V C 0.285 176.389 176.094 0.017 0.000 1.043 6 V CA -0.241 62.050 62.300 -0.015 0.000 0.915 6 V CB 1.242 33.028 31.823 -0.061 0.000 0.988 6 V HN 0.432 nan 8.190 nan 0.000 0.466 7 I N 4.975 125.555 120.570 0.016 0.000 2.276 7 I HA 0.303 4.473 4.170 0.001 0.000 0.290 7 I C 0.978 177.088 176.117 -0.011 0.000 1.109 7 I CA -0.165 61.126 61.300 -0.014 0.000 1.229 7 I CB 0.940 38.901 38.000 -0.064 0.000 1.452 7 I HN 0.678 nan 8.210 nan 0.000 0.497 8 A N 6.086 128.920 122.820 0.023 0.000 3.048 8 A HA 0.291 4.612 4.320 0.001 0.000 0.264 8 A C 0.194 177.711 177.584 -0.111 0.000 1.796 8 A CA 0.199 52.245 52.037 0.014 0.000 1.445 8 A CB -0.583 18.492 19.000 0.125 0.000 1.074 8 A HN 0.781 nan 8.150 nan 0.000 0.621 9 N N 0.030 118.594 118.700 -0.226 0.000 3.441 9 N HA 0.383 5.123 4.740 0.001 0.000 0.313 9 N C -0.851 174.289 175.510 -0.617 0.000 1.526 9 N CA -0.300 52.460 53.050 -0.483 0.000 0.871 9 N CB 1.110 39.383 38.487 -0.358 0.000 1.779 9 N HN 0.678 nan 8.380 nan 0.000 0.529 10 R N -0.939 119.141 120.500 -0.699 0.000 2.909 10 R HA 0.698 5.038 4.340 0.001 0.000 0.262 10 R C 0.609 176.558 176.300 -0.585 0.000 1.095 10 R CA -0.021 55.693 56.100 -0.643 0.000 0.965 10 R CB -0.106 29.670 30.300 -0.873 0.000 1.300 10 R HN 0.680 nan 8.270 nan 0.000 0.442 11 G N 0.844 109.274 108.800 -0.615 0.000 2.581 11 G HA2 -0.471 3.490 3.960 0.001 0.000 0.291 11 G HA3 -0.471 3.490 3.960 0.001 0.000 0.291 11 G C 0.688 175.188 174.900 -0.667 0.000 1.277 11 G CA 1.183 45.712 45.100 -0.953 0.000 0.959 11 G HN 1.008 nan 8.290 nan 0.000 0.554 12 E N -0.350 119.633 120.200 -0.361 0.000 2.110 12 E HA 0.020 4.370 4.350 0.001 0.000 0.193 12 E C 2.484 178.959 176.600 -0.208 0.000 0.988 12 E CA 2.022 58.338 56.400 -0.141 0.000 0.804 12 E CB -0.198 29.481 29.700 -0.034 0.000 0.745 12 E HN 0.794 nan 8.360 nan 0.000 0.458 13 I N 0.960 121.358 120.570 -0.286 0.000 2.286 13 I HA -0.103 4.067 4.170 0.001 0.000 0.248 13 I C 2.233 178.089 176.117 -0.434 0.000 1.115 13 I CA 1.421 62.494 61.300 -0.379 0.000 1.392 13 I CB -0.699 36.788 38.000 -0.854 0.000 1.065 13 I HN 0.239 nan 8.210 nan 0.000 0.418 14 A N 0.039 122.533 122.820 -0.543 0.000 1.902 14 A HA -0.185 4.135 4.320 0.001 0.000 0.217 14 A C 2.238 179.498 177.584 -0.539 0.000 1.181 14 A CA 1.908 53.537 52.037 -0.680 0.000 0.623 14 A CB -1.097 17.197 19.000 -1.176 0.000 0.818 14 A HN 0.500 nan 8.150 nan 0.000 0.443 15 L N -0.160 120.825 121.223 -0.396 0.000 2.027 15 L HA -0.101 4.239 4.340 0.001 0.000 0.206 15 L C 2.412 179.202 176.870 -0.134 0.000 1.074 15 L CA 2.520 57.268 54.840 -0.154 0.000 0.745 15 L CB -0.658 41.357 42.059 -0.073 0.000 0.898 15 L HN 0.419 nan 8.230 nan 0.000 0.433 16 R N 0.239 120.649 120.500 -0.151 0.000 2.096 16 R HA -0.186 4.155 4.340 0.001 0.000 0.240 16 R C 2.123 178.341 176.300 -0.137 0.000 1.139 16 R CA 2.459 58.500 56.100 -0.099 0.000 0.952 16 R CB -0.946 29.325 30.300 -0.047 0.000 0.854 16 R HN 0.549 nan 8.270 nan 0.000 0.436 17 I N 0.235 120.662 120.570 -0.238 0.000 2.252 17 I HA -0.236 3.935 4.170 0.001 0.000 0.245 17 I C 2.371 178.382 176.117 -0.177 0.000 1.102 17 I CA 1.165 62.292 61.300 -0.287 0.000 1.385 17 I CB -0.335 37.384 38.000 -0.468 0.000 1.064 17 I HN 0.252 nan 8.210 nan 0.000 0.414 18 L N 0.932 122.071 121.223 -0.139 0.000 2.012 18 L HA -0.266 4.074 4.340 0.001 0.000 0.210 18 L C 2.825 179.664 176.870 -0.053 0.000 1.073 18 L CA 1.720 56.522 54.840 -0.063 0.000 0.748 18 L CB -0.302 41.758 42.059 0.001 0.000 0.891 18 L HN 0.098 nan 8.230 nan 0.000 0.431 19 R N -0.330 120.139 120.500 -0.052 0.000 2.083 19 R HA -0.186 4.154 4.340 0.001 0.000 0.237 19 R C 2.351 178.624 176.300 -0.045 0.000 1.137 19 R CA 1.477 57.555 56.100 -0.037 0.000 0.951 19 R CB -0.699 29.585 30.300 -0.027 0.000 0.851 19 R HN 0.581 nan 8.270 nan 0.000 0.434 20 A N 0.441 123.223 122.820 -0.062 0.000 1.940 20 A HA -0.208 4.112 4.320 0.001 0.000 0.219 20 A C 2.382 179.918 177.584 -0.080 0.000 1.176 20 A CA 1.587 53.583 52.037 -0.067 0.000 0.631 20 A CB -0.810 18.142 19.000 -0.081 0.000 0.814 20 A HN 0.476 nan 8.150 nan 0.000 0.446 21 C N -0.876 118.376 119.300 -0.082 0.000 2.453 21 C HA -0.046 4.415 4.460 0.001 0.000 0.277 21 C C 2.703 177.657 174.990 -0.060 0.000 1.262 21 C CA 1.229 60.199 59.018 -0.080 0.000 1.718 21 C CB -0.998 26.706 27.740 -0.060 0.000 2.031 21 C HN 0.625 nan 8.230 nan 0.000 0.480 22 K N 0.698 121.073 120.400 -0.041 0.000 2.063 22 K HA -0.188 4.132 4.320 0.001 0.000 0.208 22 K C 1.895 178.478 176.600 -0.028 0.000 1.048 22 K CA 1.487 57.757 56.287 -0.027 0.000 0.928 22 K CB -0.257 32.232 32.500 -0.019 0.000 0.713 22 K HN 0.587 nan 8.250 nan 0.000 0.442 23 E N 0.595 120.775 120.200 -0.034 0.000 2.097 23 E HA -0.181 4.170 4.350 0.001 0.000 0.196 23 E C 1.591 178.171 176.600 -0.033 0.000 1.000 23 E CA 1.010 57.392 56.400 -0.030 0.000 0.804 23 E CB -0.018 29.663 29.700 -0.032 0.000 0.740 23 E HN 0.267 nan 8.360 nan 0.000 0.454 24 L N -0.619 120.570 121.223 -0.057 0.000 2.592 24 L HA 0.162 4.502 4.340 0.001 0.000 0.227 24 L C 1.198 178.050 176.870 -0.029 0.000 1.127 24 L CA 0.244 55.045 54.840 -0.065 0.000 0.884 24 L CB 0.189 42.143 42.059 -0.174 0.000 1.065 24 L HN 0.292 nan 8.230 nan 0.000 0.457 25 G N 1.052 109.841 108.800 -0.019 0.000 2.143 25 G HA2 -0.284 3.676 3.960 0.001 0.000 0.248 25 G HA3 -0.284 3.676 3.960 0.001 0.000 0.248 25 G C 0.185 175.090 174.900 0.009 0.000 0.991 25 G CA -0.177 44.925 45.100 0.002 0.000 0.689 25 G HN 0.310 nan 8.290 nan 0.000 0.522 26 I N 0.452 121.014 120.570 -0.013 0.000 2.395 26 I HA 0.295 4.466 4.170 0.001 0.000 0.289 26 I C 0.605 176.723 176.117 0.001 0.000 1.023 26 I CA -0.694 60.605 61.300 -0.002 0.000 1.350 26 I CB 0.964 38.939 38.000 -0.043 0.000 1.409 26 I HN -0.091 nan 8.210 nan 0.000 0.507 27 K N 4.170 124.579 120.400 0.015 0.000 2.350 27 K HA 0.218 4.539 4.320 0.001 0.000 0.279 27 K C 0.017 176.623 176.600 0.009 0.000 1.027 27 K CA -0.181 56.113 56.287 0.011 0.000 0.969 27 K CB 0.556 33.067 32.500 0.017 0.000 0.954 27 K HN 0.663 nan 8.250 nan 0.000 0.474 28 T N -1.419 113.139 114.554 0.006 0.000 2.824 28 T HA 0.566 4.917 4.350 0.001 0.000 0.280 28 T C -0.399 174.308 174.700 0.012 0.000 0.995 28 T CA -0.965 61.140 62.100 0.009 0.000 1.009 28 T CB 1.009 69.885 68.868 0.013 0.000 0.955 28 T HN 0.104 nan 8.240 nan 0.000 0.452 29 V N 2.359 122.282 119.914 0.015 0.000 2.376 29 V HA 0.676 4.796 4.120 0.001 0.000 0.287 29 V C 0.219 176.335 176.094 0.037 0.000 1.015 29 V CA -1.016 61.292 62.300 0.013 0.000 0.834 29 V CB 1.050 32.868 31.823 -0.008 0.000 1.001 29 V HN 1.242 nan 8.190 nan 0.000 0.428 30 A N 5.543 128.395 122.820 0.054 0.000 2.280 30 A HA 0.713 5.034 4.320 0.001 0.000 0.320 30 A C -0.059 177.601 177.584 0.127 0.000 1.366 30 A CA -0.476 51.632 52.037 0.119 0.000 0.938 30 A CB 0.643 19.654 19.000 0.019 0.000 1.157 30 A HN 1.137 nan 8.150 nan 0.000 0.536 31 V N 2.076 122.050 119.914 0.100 0.000 2.649 31 V HA 0.793 4.914 4.120 0.001 0.000 0.292 31 V C -0.268 175.885 176.094 0.100 0.000 1.055 31 V CA -0.192 62.109 62.300 0.003 0.000 1.023 31 V CB 0.325 32.121 31.823 -0.045 0.000 0.992 31 V HN 1.126 nan 8.190 nan 0.000 0.480 32 H N 1.113 120.159 119.070 -0.040 0.000 3.037 32 H HA 0.769 5.325 4.556 0.001 0.000 0.355 32 H C -0.259 174.918 175.328 -0.253 0.000 1.263 32 H CA -0.194 55.832 56.048 -0.037 0.000 1.129 32 H CB 0.952 30.742 29.762 0.046 0.000 1.861 32 H HN 0.937 nan 8.280 nan 0.000 0.546 33 S N 0.232 115.795 115.700 -0.229 0.000 2.645 33 S HA 0.153 4.623 4.470 0.001 0.000 0.266 33 S C 1.110 175.775 174.600 0.108 0.000 1.258 33 S CA -0.145 57.919 58.200 -0.226 0.000 0.990 33 S CB 0.866 63.952 63.200 -0.190 0.000 0.967 33 S HN 1.081 nan 8.310 nan 0.000 0.556 34 S N 0.005 115.714 115.700 0.014 0.000 2.507 34 S HA 0.051 4.522 4.470 0.001 0.000 0.235 34 S C 1.442 176.101 174.600 0.097 0.000 0.988 34 S CA 0.317 58.562 58.200 0.075 0.000 0.944 34 S CB -0.735 62.463 63.200 -0.003 0.000 0.762 34 S HN 1.079 nan 8.310 nan 0.000 0.526 35 A N 0.669 123.553 122.820 0.107 0.000 2.267 35 A HA 0.284 4.604 4.320 0.001 0.000 0.213 35 A C 0.976 178.712 177.584 0.255 0.000 1.192 35 A CA 0.189 52.326 52.037 0.167 0.000 0.851 35 A CB 0.141 19.225 19.000 0.141 0.000 0.881 35 A HN 0.357 nan 8.150 nan 0.000 0.494 36 D N -0.930 119.617 120.400 0.245 0.000 2.538 36 D HA 0.125 4.765 4.640 0.001 0.000 0.231 36 D C 1.411 177.702 176.300 -0.014 0.000 1.229 36 D CA -0.128 53.999 54.000 0.211 0.000 0.828 36 D CB 0.040 41.004 40.800 0.274 0.000 1.035 36 D HN 0.245 nan 8.370 nan 0.000 0.495 37 R N 0.481 120.928 120.500 -0.089 0.000 2.237 37 R HA -0.080 4.261 4.340 0.001 0.000 0.219 37 R C -0.076 176.135 176.300 -0.149 0.000 1.080 37 R CA 0.915 56.819 56.100 -0.326 0.000 0.995 37 R CB 0.348 30.567 30.300 -0.135 0.000 0.875 37 R HN -0.008 nan 8.270 nan 0.000 0.462 38 D N 0.103 120.528 120.400 0.042 0.000 2.368 38 D HA 0.109 4.750 4.640 0.001 0.000 0.218 38 D C 0.040 176.493 176.300 0.256 0.000 1.112 38 D CA -0.028 54.074 54.000 0.170 0.000 0.834 38 D CB 0.232 41.203 40.800 0.286 0.000 0.953 38 D HN 0.120 nan 8.370 nan 0.000 0.505 39 L N 0.780 122.081 121.223 0.130 0.000 2.485 39 L HA 0.006 4.346 4.340 0.001 0.000 0.275 39 L C 1.859 178.756 176.870 0.045 0.000 1.207 39 L CA -0.234 54.671 54.840 0.109 0.000 0.855 39 L CB 0.821 42.923 42.059 0.071 0.000 1.114 39 L HN -0.228 nan 8.230 nan 0.000 0.485 40 K N 1.902 122.367 120.400 0.108 0.000 2.063 40 K HA -0.229 4.092 4.320 0.001 0.000 0.208 40 K C 2.157 178.757 176.600 -0.000 0.000 1.048 40 K CA 1.883 58.197 56.287 0.045 0.000 0.928 40 K CB -0.192 32.363 32.500 0.091 0.000 0.713 40 K HN 0.750 nan 8.250 nan 0.000 0.442 41 H N -0.786 118.255 119.070 -0.048 0.000 2.389 41 H HA -0.024 4.532 4.556 0.001 0.000 0.299 41 H C 1.763 177.058 175.328 -0.056 0.000 1.081 41 H CA 1.537 57.547 56.048 -0.064 0.000 1.345 41 H CB -0.561 29.145 29.762 -0.093 0.000 1.393 41 H HN 0.017 nan 8.280 nan 0.000 0.520 42 V N 1.930 121.322 119.914 -0.869 0.000 2.343 42 V HA -0.234 3.887 4.120 0.001 0.000 0.247 42 V C 3.039 178.961 176.094 -0.286 0.000 1.051 42 V CA 1.600 63.521 62.300 -0.632 0.000 1.036 42 V CB -0.627 30.879 31.823 -0.527 0.000 0.654 42 V HN 0.293 nan 8.190 nan 0.000 0.451 43 L N -0.959 120.141 121.223 -0.205 0.000 2.456 43 L HA -0.050 4.290 4.340 0.001 0.000 0.224 43 L C 1.912 178.721 176.870 -0.103 0.000 1.148 43 L CA 0.978 55.740 54.840 -0.132 0.000 0.825 43 L CB -0.234 41.753 42.059 -0.121 0.000 0.937 43 L HN 0.332 nan 8.230 nan 0.000 0.450 44 L N -1.189 119.975 121.223 -0.099 0.000 2.672 44 L HA 0.303 4.644 4.340 0.001 0.000 0.236 44 L C 1.312 178.156 176.870 -0.044 0.000 1.092 44 L CA -0.407 54.399 54.840 -0.057 0.000 0.887 44 L CB 0.126 42.166 42.059 -0.032 0.000 1.168 44 L HN 0.068 nan 8.230 nan 0.000 0.502 45 A N 0.117 122.900 122.820 -0.062 0.000 2.425 45 A HA 0.016 4.336 4.320 0.001 0.000 0.242 45 A C 0.734 178.302 177.584 -0.026 0.000 1.077 45 A CA -0.112 51.905 52.037 -0.033 0.000 0.781 45 A CB 0.192 19.166 19.000 -0.042 0.000 1.020 45 A HN 0.190 nan 8.150 nan 0.000 0.494 46 D N 0.359 120.752 120.400 -0.011 0.000 2.178 46 D HA -0.028 4.612 4.640 0.001 0.000 0.202 46 D C 0.194 176.490 176.300 -0.007 0.000 0.974 46 D CA 1.384 55.379 54.000 -0.008 0.000 0.841 46 D CB 0.303 41.102 40.800 -0.001 0.000 0.953 46 D HN 0.737 nan 8.370 nan 0.000 0.478 47 E N -0.496 119.702 120.200 -0.004 0.000 2.356 47 E HA 0.369 4.720 4.350 0.001 0.000 0.275 47 E C -0.728 175.876 176.600 0.007 0.000 0.904 47 E CA -0.562 55.838 56.400 0.001 0.000 0.757 47 E CB 2.509 32.210 29.700 0.002 0.000 1.232 47 E HN -0.063 nan 8.360 nan 0.000 0.442 48 T N -1.741 112.825 114.554 0.022 0.000 2.876 48 T HA 0.653 5.004 4.350 0.001 0.000 0.289 48 T C -0.762 173.974 174.700 0.060 0.000 1.014 48 T CA -0.707 61.434 62.100 0.069 0.000 0.986 48 T CB 1.277 70.197 68.868 0.086 0.000 1.021 48 T HN 0.148 nan 8.240 nan 0.000 0.458 49 V N 2.235 122.158 119.914 0.015 0.000 2.569 49 V HA 0.412 4.532 4.120 0.001 0.000 0.301 49 V C 0.199 176.062 176.094 -0.385 0.000 1.044 49 V CA -1.165 61.067 62.300 -0.113 0.000 0.874 49 V CB 1.437 33.204 31.823 -0.094 0.000 1.002 49 V HN 1.293 nan 8.190 nan 0.000 0.424 50 C N 7.004 126.040 119.300 -0.440 0.000 2.576 50 C HA 0.456 4.916 4.460 0.001 0.000 0.401 50 C C 1.586 176.349 174.990 -0.379 0.000 1.314 50 C CA -0.270 58.359 59.018 -0.648 0.000 1.855 50 C CB -1.047 26.495 27.740 -0.330 0.000 2.537 50 C HN 0.893 nan 8.230 nan 0.000 0.578 51 I N 4.339 124.667 120.570 -0.403 0.000 3.941 51 I HA 0.559 4.729 4.170 0.001 0.000 0.335 51 I C 0.701 176.668 176.117 -0.249 0.000 1.402 51 I CA 0.350 61.481 61.300 -0.283 0.000 1.112 51 I CB -0.579 37.251 38.000 -0.283 0.000 1.043 51 I HN 0.835 nan 8.210 nan 0.000 0.395 52 G N 1.825 110.478 108.800 -0.243 0.000 2.368 52 G HA2 0.116 4.077 3.960 0.001 0.000 0.302 52 G HA3 0.116 4.077 3.960 0.001 0.000 0.302 52 G C -3.379 171.415 174.900 -0.178 0.000 1.329 52 G CA -0.774 44.215 45.100 -0.186 0.000 0.935 52 G HN -0.033 nan 8.290 nan 0.000 0.590 53 P HA 0.427 nan 4.420 nan 0.000 0.274 53 P C 1.294 178.479 177.300 -0.192 0.000 1.256 53 P CA 0.728 63.743 63.100 -0.142 0.000 0.795 53 P CB 1.058 32.692 31.700 -0.111 0.000 1.038 54 A N 2.043 124.691 122.820 -0.286 0.000 1.923 54 A HA -0.157 4.164 4.320 0.001 0.000 0.222 54 A C -1.039 176.348 177.584 -0.328 0.000 1.258 54 A CA 1.632 53.368 52.037 -0.501 0.000 0.670 54 A CB -2.897 15.253 19.000 -1.416 0.000 0.834 54 A HN 0.557 nan 8.150 nan 0.000 0.470 55 P HA 0.043 nan 4.420 nan 0.000 0.261 55 P C 0.681 178.030 177.300 0.081 0.000 1.165 55 P CA 0.790 63.868 63.100 -0.036 0.000 0.759 55 P CB 0.586 32.275 31.700 -0.018 0.000 0.772 56 S N 2.645 118.492 115.700 0.245 0.000 2.359 56 S HA -0.154 4.316 4.470 0.001 0.000 0.224 56 S C 1.851 176.563 174.600 0.187 0.000 1.035 56 S CA 1.756 60.179 58.200 0.370 0.000 1.018 56 S CB -0.997 62.540 63.200 0.561 0.000 0.876 56 S HN 0.559 nan 8.310 nan 0.000 0.448 57 V N 0.438 120.434 119.914 0.138 0.000 2.546 57 V HA -0.125 3.995 4.120 0.001 0.000 0.254 57 V C 1.492 177.600 176.094 0.024 0.000 1.076 57 V CA 1.666 64.013 62.300 0.079 0.000 1.087 57 V CB -0.687 31.174 31.823 0.062 0.000 0.674 57 V HN 0.381 nan 8.190 nan 0.000 0.470 58 K N 0.553 120.951 120.400 -0.003 0.000 2.367 58 K HA 0.199 4.519 4.320 0.001 0.000 0.194 58 K C 1.685 178.217 176.600 -0.113 0.000 1.027 58 K CA 0.801 57.058 56.287 -0.050 0.000 1.075 58 K CB 0.481 32.949 32.500 -0.054 0.000 0.845 58 K HN 0.784 nan 8.250 nan 0.000 0.529 59 S N -0.616 114.992 115.700 -0.152 0.000 3.517 59 S HA 0.012 4.482 4.470 0.001 0.000 0.173 59 S C 1.435 175.812 174.600 -0.371 0.000 0.785 59 S CA -0.362 57.633 58.200 -0.342 0.000 0.932 59 S CB -0.702 62.161 63.200 -0.562 0.000 1.213 59 S HN 0.074 nan 8.310 nan 0.000 0.772 60 Y N 2.176 122.359 120.300 -0.195 0.000 2.651 60 Y HA 0.281 4.831 4.550 0.000 0.000 0.293 60 Y C 1.626 177.366 175.900 -0.267 0.000 1.151 60 Y CA 0.440 58.299 58.100 -0.401 0.000 1.362 60 Y CB -0.589 37.304 38.460 -0.945 0.000 0.973 60 Y HN 0.250 nan 8.280 nan 0.000 0.561 61 L N -0.521 120.695 121.223 -0.013 0.000 2.906 61 L HA 0.158 4.498 4.340 0.001 0.000 0.255 61 L C 0.497 177.324 176.870 -0.071 0.000 1.166 61 L CA -0.149 54.682 54.840 -0.013 0.000 0.977 61 L CB 0.115 42.229 42.059 0.092 0.000 1.313 61 L HN -0.028 nan 8.230 nan 0.000 0.549 62 N N 1.544 120.185 118.700 -0.098 0.000 2.482 62 N HA 0.164 4.904 4.740 0.001 0.000 0.242 62 N C 1.016 176.487 175.510 -0.065 0.000 1.100 62 N CA 0.136 53.140 53.050 -0.076 0.000 0.946 62 N CB 0.704 39.132 38.487 -0.098 0.000 1.227 62 N HN 0.208 nan 8.380 nan 0.000 0.508 63 I N 4.266 124.824 120.570 -0.020 0.000 2.179 63 I HA -0.158 4.012 4.170 0.001 0.000 0.242 63 I C -0.516 175.673 176.117 0.121 0.000 1.088 63 I CA 0.958 62.311 61.300 0.090 0.000 1.357 63 I CB -0.928 37.173 38.000 0.169 0.000 1.051 63 I HN 0.434 nan 8.210 nan 0.000 0.409 64 P HA -0.137 nan 4.420 nan 0.000 0.217 64 P C 1.425 178.741 177.300 0.026 0.000 1.151 64 P CA 1.846 64.978 63.100 0.053 0.000 0.828 64 P CB 0.048 31.767 31.700 0.031 0.000 0.788 65 A N 0.258 123.074 122.820 -0.006 0.000 1.898 65 A HA -0.117 4.204 4.320 0.001 0.000 0.216 65 A C 2.375 179.937 177.584 -0.038 0.000 1.181 65 A CA 1.251 53.264 52.037 -0.040 0.000 0.620 65 A CB -1.470 17.480 19.000 -0.082 0.000 0.819 65 A HN 0.112 nan 8.150 nan 0.000 0.442 66 I N -0.476 120.089 120.570 -0.008 0.000 2.252 66 I HA -0.223 3.948 4.170 0.001 0.000 0.245 66 I C 2.247 178.377 176.117 0.023 0.000 1.102 66 I CA 1.200 62.513 61.300 0.022 0.000 1.385 66 I CB -0.319 37.737 38.000 0.094 0.000 1.064 66 I HN 0.289 nan 8.210 nan 0.000 0.414 67 I N 0.047 120.654 120.570 0.063 0.000 2.353 67 I HA -0.215 3.955 4.170 0.001 0.000 0.248 67 I C 2.586 178.672 176.117 -0.053 0.000 1.119 67 I CA 1.017 62.310 61.300 -0.012 0.000 1.417 67 I CB -0.224 37.833 38.000 0.094 0.000 1.078 67 I HN 0.121 nan 8.210 nan 0.000 0.421 68 S N 0.860 116.557 115.700 -0.005 0.000 2.382 68 S HA -0.168 4.303 4.470 0.001 0.000 0.228 68 S C 2.251 176.826 174.600 -0.043 0.000 1.027 68 S CA 1.315 59.514 58.200 -0.003 0.000 0.991 68 S CB -0.287 62.911 63.200 -0.003 0.000 0.823 68 S HN 0.543 nan 8.310 nan 0.000 0.469 69 A N 1.434 124.210 122.820 -0.073 0.000 1.933 69 A HA 0.073 4.393 4.320 0.001 0.000 0.218 69 A C 2.325 179.831 177.584 -0.129 0.000 1.175 69 A CA 1.710 53.694 52.037 -0.088 0.000 0.628 69 A CB -0.958 17.989 19.000 -0.089 0.000 0.814 69 A HN 0.525 nan 8.150 nan 0.000 0.444 70 A N -0.405 122.264 122.820 -0.252 0.000 1.968 70 A HA -0.100 4.221 4.320 0.001 0.000 0.217 70 A C 1.911 179.321 177.584 -0.289 0.000 1.169 70 A CA 1.506 53.258 52.037 -0.475 0.000 0.638 70 A CB -0.395 17.927 19.000 -1.130 0.000 0.812 70 A HN 0.635 nan 8.150 nan 0.000 0.446 71 E N -0.004 120.146 120.200 -0.084 0.000 2.046 71 E HA -0.135 4.215 4.350 0.001 0.000 0.190 71 E C 1.962 178.625 176.600 0.104 0.000 0.982 71 E CA 1.387 57.904 56.400 0.195 0.000 0.800 71 E CB -0.384 29.439 29.700 0.204 0.000 0.756 71 E HN 0.876 nan 8.360 nan 0.000 0.449 72 I N -0.357 120.235 120.570 0.037 0.000 2.756 72 I HA -0.085 4.085 4.170 0.001 0.000 0.262 72 I C 1.998 178.128 176.117 0.022 0.000 1.225 72 I CA 1.449 62.765 61.300 0.025 0.000 1.472 72 I CB -0.367 37.636 38.000 0.004 0.000 1.094 72 I HN -0.015 nan 8.210 nan 0.000 0.454 73 T N -2.581 111.982 114.554 0.016 0.000 3.069 73 T HA 0.409 4.759 4.350 0.001 0.000 0.252 73 T C 1.504 176.228 174.700 0.041 0.000 1.053 73 T CA 0.286 62.395 62.100 0.015 0.000 0.964 73 T CB 0.198 69.062 68.868 -0.007 0.000 1.005 73 T HN 0.663 nan 8.240 nan 0.000 0.532 74 G N 1.633 110.481 108.800 0.080 0.000 2.221 74 G HA2 -0.021 3.939 3.960 0.001 0.000 0.265 74 G HA3 -0.021 3.939 3.960 0.001 0.000 0.265 74 G C 0.308 175.288 174.900 0.132 0.000 1.041 74 G CA -0.038 45.132 45.100 0.117 0.000 0.807 74 G HN 1.156 nan 8.290 nan 0.000 0.502 75 A N -1.029 121.862 122.820 0.118 0.000 2.346 75 A HA 0.759 5.079 4.320 0.001 0.000 0.252 75 A C 1.649 179.381 177.584 0.248 0.000 1.089 75 A CA 0.695 52.786 52.037 0.090 0.000 0.797 75 A CB 0.959 19.931 19.000 -0.047 0.000 1.047 75 A HN 1.644 nan 8.150 nan 0.000 0.494 76 V N -3.027 117.008 119.914 0.202 0.000 3.604 76 V HA 0.650 4.771 4.120 0.001 0.000 0.277 76 V C 0.506 176.753 176.094 0.255 0.000 1.399 76 V CA 0.819 63.276 62.300 0.263 0.000 1.034 76 V CB -0.787 31.115 31.823 0.133 0.000 0.824 76 V HN 1.704 nan 8.190 nan 0.000 0.439 77 A N 0.202 123.117 122.820 0.158 0.000 2.587 77 A HA 0.885 5.205 4.320 0.001 0.000 0.293 77 A C -1.292 176.310 177.584 0.031 0.000 1.087 77 A CA -0.638 51.460 52.037 0.102 0.000 0.692 77 A CB 1.783 20.824 19.000 0.067 0.000 1.291 77 A HN 0.315 nan 8.150 nan 0.000 0.407 78 I N 1.814 122.389 120.570 0.007 0.000 2.466 78 I HA 0.313 4.484 4.170 0.001 0.000 0.289 78 I C -0.908 175.178 176.117 -0.052 0.000 1.026 78 I CA -0.527 60.774 61.300 0.002 0.000 1.078 78 I CB 2.001 40.020 38.000 0.032 0.000 1.249 78 I HN 0.734 nan 8.210 nan 0.000 0.429 79 H N 8.502 127.519 119.070 -0.089 0.000 2.556 79 H HA 0.352 4.909 4.556 0.001 0.000 0.310 79 H C -2.141 173.135 175.328 -0.087 0.000 1.057 79 H CA -2.188 53.771 56.048 -0.149 0.000 1.264 79 H CB 2.174 31.852 29.762 -0.139 0.000 1.404 79 H HN 0.329 nan 8.280 nan 0.000 0.462 80 P HA 0.100 nan 4.420 nan 0.000 0.255 80 P C 0.864 178.271 177.300 0.177 0.000 1.248 80 P CA 0.828 64.052 63.100 0.207 0.000 0.807 80 P CB 0.683 32.575 31.700 0.321 0.000 1.150 81 G N 1.321 110.313 108.800 0.319 0.000 2.614 81 G HA2 -0.267 3.693 3.960 0.001 0.000 0.303 81 G HA3 -0.267 3.693 3.960 0.001 0.000 0.303 81 G C -0.506 174.445 174.900 0.085 0.000 1.270 81 G CA 0.689 45.808 45.100 0.031 0.000 0.988 81 G HN 0.455 nan 8.290 nan 0.000 0.551 82 Y N -0.984 119.363 120.300 0.078 0.000 2.549 82 Y HA 0.698 5.248 4.550 0.001 0.000 0.339 82 Y C 0.921 176.851 175.900 0.051 0.000 1.053 82 Y CA -0.635 57.502 58.100 0.062 0.000 1.105 82 Y CB 0.917 39.393 38.460 0.027 0.000 1.258 82 Y HN 2.563 nan 8.280 nan 0.000 0.478 83 G N 1.408 110.384 108.800 0.293 0.000 2.645 83 G HA2 -0.222 3.739 3.960 0.001 0.000 0.239 83 G HA3 -0.222 3.739 3.960 0.001 0.000 0.239 83 G C 0.047 175.004 174.900 0.095 0.000 1.331 83 G CA 0.267 45.411 45.100 0.073 0.000 0.890 83 G HN 1.276 nan 8.290 nan 0.000 0.572 84 F N -1.804 118.183 119.950 0.061 0.000 2.944 84 F HA -0.330 4.197 4.527 0.001 0.000 0.240 84 F C 2.347 178.152 175.800 0.007 0.000 1.478 84 F CA 2.382 60.394 58.000 0.020 0.000 1.867 84 F CB -1.192 37.792 39.000 -0.026 0.000 0.505 84 F HN 0.461 nan 8.300 nan 0.000 0.300 85 L N 0.495 121.837 121.223 0.197 0.000 2.628 85 L HA 0.096 4.436 4.340 0.001 0.000 0.229 85 L C 1.984 179.016 176.870 0.269 0.000 1.137 85 L CA 0.612 55.490 54.840 0.063 0.000 0.909 85 L CB -0.415 41.379 42.059 -0.442 0.000 1.137 85 L HN 0.549 nan 8.230 nan 0.000 0.470 86 S N -0.008 115.866 115.700 0.289 0.000 2.400 86 S HA -0.202 4.268 4.470 0.001 0.000 0.232 86 S C 1.215 176.025 174.600 0.351 0.000 1.025 86 S CA 1.147 59.556 58.200 0.348 0.000 0.993 86 S CB -0.197 63.152 63.200 0.249 0.000 0.808 86 S HN 0.586 nan 8.310 nan 0.000 0.478 87 E N 1.298 121.642 120.200 0.239 0.000 2.815 87 E HA 0.252 4.603 4.350 0.001 0.000 0.211 87 E C -0.682 176.002 176.600 0.141 0.000 1.004 87 E CA -0.313 56.198 56.400 0.185 0.000 1.173 87 E CB 0.172 29.949 29.700 0.129 0.000 1.163 87 E HN 0.366 nan 8.360 nan 0.000 0.449 88 N N 1.106 119.906 118.700 0.167 0.000 2.501 88 N HA 0.189 4.929 4.740 0.001 0.000 0.245 88 N C 0.513 176.067 175.510 0.073 0.000 0.974 88 N CA 0.005 53.128 53.050 0.121 0.000 0.941 88 N CB 1.440 40.011 38.487 0.139 0.000 1.122 88 N HN 0.094 nan 8.380 nan 0.000 0.507 89 A N 4.315 127.147 122.820 0.019 0.000 1.865 89 A HA -0.241 4.079 4.320 0.001 0.000 0.217 89 A C 1.945 179.485 177.584 -0.073 0.000 1.191 89 A CA 1.766 53.771 52.037 -0.054 0.000 0.623 89 A CB -0.750 18.233 19.000 -0.027 0.000 0.826 89 A HN 0.773 nan 8.150 nan 0.000 0.444 90 N N -0.789 117.909 118.700 -0.004 0.000 2.091 90 N HA -0.230 4.510 4.740 0.001 0.000 0.193 90 N C 1.440 176.969 175.510 0.032 0.000 1.021 90 N CA 2.249 55.306 53.050 0.012 0.000 0.862 90 N CB -0.576 37.938 38.487 0.045 0.000 1.018 90 N HN 0.545 nan 8.380 nan 0.000 0.429 91 F N 0.348 120.237 119.950 -0.102 0.000 2.102 91 F HA -0.062 4.465 4.527 0.001 0.000 0.298 91 F C 2.175 177.833 175.800 -0.237 0.000 1.105 91 F CA 1.418 59.356 58.000 -0.102 0.000 1.239 91 F CB -0.355 38.624 39.000 -0.035 0.000 0.991 91 F HN 0.141 nan 8.300 nan 0.000 0.474 92 A N 0.321 122.762 122.820 -0.631 0.000 1.902 92 A HA -0.205 4.115 4.320 0.001 0.000 0.217 92 A C 2.003 179.239 177.584 -0.580 0.000 1.181 92 A CA 1.888 53.221 52.037 -1.173 0.000 0.623 92 A CB -0.856 17.247 19.000 -1.495 0.000 0.818 92 A HN 0.587 nan 8.150 nan 0.000 0.443 93 E N -0.329 119.667 120.200 -0.340 0.000 2.077 93 E HA -0.227 4.123 4.350 0.001 0.000 0.193 93 E C 2.299 178.809 176.600 -0.151 0.000 0.989 93 E CA 1.434 57.718 56.400 -0.193 0.000 0.800 93 E CB -0.212 29.417 29.700 -0.118 0.000 0.746 93 E HN 0.737 nan 8.360 nan 0.000 0.452 94 Q N 0.380 120.095 119.800 -0.143 0.000 2.083 94 Q HA -0.102 4.238 4.340 0.001 0.000 0.198 94 Q C 2.480 178.426 176.000 -0.089 0.000 0.969 94 Q CA 1.062 56.819 55.803 -0.077 0.000 0.838 94 Q CB -0.030 28.702 28.738 -0.009 0.000 0.900 94 Q HN 0.133 nan 8.270 nan 0.000 0.436 95 V N 1.835 121.612 119.914 -0.229 0.000 2.252 95 V HA -0.308 3.812 4.120 0.001 0.000 0.249 95 V C 2.047 178.151 176.094 0.018 0.000 1.056 95 V CA 2.154 64.369 62.300 -0.141 0.000 1.022 95 V CB -0.544 31.064 31.823 -0.358 0.000 0.641 95 V HN 0.388 nan 8.190 nan 0.000 0.445 96 E N -0.481 119.678 120.200 -0.067 0.000 2.106 96 E HA -0.243 4.107 4.350 0.001 0.000 0.192 96 E C 2.390 178.953 176.600 -0.061 0.000 0.984 96 E CA 1.053 57.429 56.400 -0.039 0.000 0.806 96 E CB -0.166 29.500 29.700 -0.057 0.000 0.750 96 E HN 0.379 nan 8.360 nan 0.000 0.458 97 R N 0.723 121.185 120.500 -0.063 0.000 2.120 97 R HA -0.025 4.316 4.340 0.001 0.000 0.234 97 R C 1.949 178.209 176.300 -0.067 0.000 1.123 97 R CA 1.118 57.182 56.100 -0.060 0.000 0.975 97 R CB 0.004 30.276 30.300 -0.046 0.000 0.866 97 R HN -0.082 nan 8.270 nan 0.000 0.446 98 S N -1.068 114.608 115.700 -0.040 0.000 2.607 98 S HA 0.164 4.634 4.470 0.001 0.000 0.224 98 S C 0.958 175.337 174.600 -0.369 0.000 0.969 98 S CA 0.692 58.855 58.200 -0.061 0.000 0.927 98 S CB 0.702 64.014 63.200 0.187 0.000 0.772 98 S HN 0.680 nan 8.310 nan 0.000 0.533 99 G N 0.667 109.260 108.800 -0.345 0.000 2.144 99 G HA2 -0.214 3.747 3.960 0.001 0.000 0.218 99 G HA3 -0.214 3.747 3.960 0.001 0.000 0.218 99 G C -0.154 174.380 174.900 -0.611 0.000 0.988 99 G CA -0.486 44.325 45.100 -0.482 0.000 0.659 99 G HN 0.395 nan 8.290 nan 0.000 0.522 100 F N 0.148 120.080 119.950 -0.029 0.000 2.470 100 F HA 0.717 5.245 4.527 0.001 0.000 0.329 100 F C 0.939 176.732 175.800 -0.013 0.000 1.072 100 F CA -1.514 56.475 58.000 -0.019 0.000 0.989 100 F CB 1.141 40.130 39.000 -0.019 0.000 1.193 100 F HN -0.068 nan 8.300 nan 0.000 0.481 101 I N 2.659 123.342 120.570 0.188 0.000 2.352 101 I HA 0.096 4.266 4.170 0.001 0.000 0.290 101 I C -0.597 175.591 176.117 0.119 0.000 1.036 101 I CA -0.304 61.061 61.300 0.108 0.000 1.336 101 I CB 0.563 38.599 38.000 0.060 0.000 1.407 101 I HN 0.448 nan 8.210 nan 0.000 0.497 102 F N 7.919 127.833 119.950 -0.059 0.000 2.404 102 F HA 0.418 4.946 4.527 0.001 0.000 0.358 102 F C 0.329 176.062 175.800 -0.113 0.000 1.120 102 F CA -0.531 57.405 58.000 -0.107 0.000 1.144 102 F CB 0.505 39.416 39.000 -0.148 0.000 1.133 102 F HN 0.284 nan 8.300 nan 0.000 0.495 103 I N 7.433 127.609 120.570 -0.657 0.000 2.352 103 I HA 0.336 4.506 4.170 0.001 0.000 0.303 103 I C 0.641 176.214 176.117 -0.906 0.000 1.194 103 I CA 0.355 61.274 61.300 -0.635 0.000 1.518 103 I CB -0.973 36.661 38.000 -0.609 0.000 1.489 103 I HN 0.803 nan 8.210 nan 0.000 0.702 104 G N 6.810 115.258 108.800 -0.587 0.000 2.340 104 G HA2 0.343 4.303 3.960 0.001 0.000 0.299 104 G HA3 0.343 4.303 3.960 0.001 0.000 0.299 104 G C -3.217 171.646 174.900 -0.061 0.000 1.291 104 G CA -0.649 44.250 45.100 -0.335 0.000 0.841 104 G HN 0.141 nan 8.290 nan 0.000 0.500 105 P HA 0.280 nan 4.420 nan 0.000 0.277 105 P C -0.527 176.768 177.300 -0.009 0.000 1.276 105 P CA -0.226 62.760 63.100 -0.190 0.000 0.788 105 P CB 0.793 32.264 31.700 -0.382 0.000 1.114 106 K N -0.350 120.008 120.400 -0.070 0.000 2.355 106 K HA 0.228 4.548 4.320 0.001 0.000 0.270 106 K C 1.588 178.170 176.600 -0.031 0.000 1.003 106 K CA -0.091 56.176 56.287 -0.033 0.000 0.957 106 K CB 0.093 32.569 32.500 -0.041 0.000 0.939 106 K HN 0.353 nan 8.250 nan 0.000 0.482 107 A N 3.085 125.868 122.820 -0.062 0.000 1.927 107 A HA -0.244 4.076 4.320 0.001 0.000 0.220 107 A C 1.797 179.358 177.584 -0.038 0.000 1.185 107 A CA 1.856 53.843 52.037 -0.084 0.000 0.639 107 A CB -0.472 18.464 19.000 -0.106 0.000 0.820 107 A HN 0.894 nan 8.150 nan 0.000 0.451 108 E N -0.390 119.795 120.200 -0.024 0.000 2.204 108 E HA -0.132 4.218 4.350 0.001 0.000 0.194 108 E C 1.702 178.311 176.600 0.015 0.000 0.989 108 E CA 1.576 57.973 56.400 -0.006 0.000 0.824 108 E CB -1.222 28.475 29.700 -0.005 0.000 0.756 108 E HN 0.541 nan 8.360 nan 0.000 0.477 109 T N 1.941 116.509 114.554 0.023 0.000 2.857 109 T HA 0.053 4.403 4.350 0.001 0.000 0.266 109 T C 2.156 176.907 174.700 0.085 0.000 1.048 109 T CA 0.745 62.884 62.100 0.065 0.000 1.139 109 T CB -0.162 68.746 68.868 0.066 0.000 0.874 109 T HN 0.111 nan 8.240 nan 0.000 0.455 110 I N 1.090 121.700 120.570 0.065 0.000 2.226 110 I HA -0.200 3.970 4.170 0.001 0.000 0.245 110 I C 2.749 178.899 176.117 0.055 0.000 1.100 110 I CA 1.390 62.736 61.300 0.077 0.000 1.374 110 I CB -0.364 37.672 38.000 0.059 0.000 1.057 110 I HN 0.151 nan 8.210 nan 0.000 0.413 111 R N 0.279 120.799 120.500 0.033 0.000 2.081 111 R HA -0.165 4.175 4.340 0.001 0.000 0.235 111 R C 2.291 178.610 176.300 0.031 0.000 1.131 111 R CA 1.171 57.286 56.100 0.026 0.000 0.960 111 R CB -0.637 29.670 30.300 0.012 0.000 0.856 111 R HN 0.220 nan 8.270 nan 0.000 0.436 112 L N 0.738 121.982 121.223 0.035 0.000 1.955 112 L HA -0.174 4.166 4.340 0.001 0.000 0.213 112 L C 2.027 178.922 176.870 0.041 0.000 1.072 112 L CA 1.934 56.795 54.840 0.035 0.000 0.755 112 L CB -0.292 41.791 42.059 0.040 0.000 0.888 112 L HN 0.127 nan 8.230 nan 0.000 0.432 113 M N -0.678 118.953 119.600 0.053 0.000 2.476 113 M HA 0.070 4.550 4.480 0.001 0.000 0.262 113 M C 2.111 178.442 176.300 0.053 0.000 1.079 113 M CA 1.063 56.395 55.300 0.054 0.000 1.104 113 M CB -1.990 30.634 32.600 0.041 0.000 1.409 113 M HN 0.436 nan 8.290 nan 0.000 0.467 114 G N -0.248 108.581 108.800 0.047 0.000 2.534 114 G HA2 -0.117 3.843 3.960 0.001 0.000 0.217 114 G HA3 -0.117 3.843 3.960 0.001 0.000 0.217 114 G C 0.194 175.114 174.900 0.033 0.000 1.128 114 G CA 0.153 45.277 45.100 0.040 0.000 0.784 114 G HN 0.397 nan 8.290 nan 0.000 0.542 115 D N -0.288 120.132 120.400 0.034 0.000 2.329 115 D HA 0.204 4.845 4.640 0.001 0.000 0.232 115 D C 1.353 177.675 176.300 0.037 0.000 1.088 115 D CA -0.608 53.409 54.000 0.028 0.000 0.835 115 D CB 1.385 42.198 40.800 0.022 0.000 1.078 115 D HN 0.052 nan 8.370 nan 0.000 0.495 116 K N 2.590 123.010 120.400 0.033 0.000 2.059 116 K HA -0.156 4.165 4.320 0.001 0.000 0.212 116 K C 1.357 177.985 176.600 0.046 0.000 1.050 116 K CA 1.457 57.770 56.287 0.044 0.000 0.927 116 K CB 0.104 32.617 32.500 0.023 0.000 0.714 116 K HN 0.344 nan 8.250 nan 0.000 0.447 117 V N 0.713 120.637 119.914 0.016 0.000 2.358 117 V HA -0.195 3.925 4.120 0.001 0.000 0.246 117 V C 2.225 178.326 176.094 0.012 0.000 1.047 117 V CA 2.049 64.351 62.300 0.003 0.000 1.035 117 V CB -0.233 31.579 31.823 -0.018 0.000 0.658 117 V HN 0.361 nan 8.190 nan 0.000 0.452 118 S N 0.435 116.144 115.700 0.015 0.000 2.383 118 S HA -0.135 4.335 4.470 0.001 0.000 0.227 118 S C 2.217 176.826 174.600 0.015 0.000 1.026 118 S CA 1.323 59.530 58.200 0.012 0.000 0.981 118 S CB -0.478 62.730 63.200 0.014 0.000 0.818 118 S HN 0.635 nan 8.310 nan 0.000 0.472 119 A N 2.297 125.141 122.820 0.039 0.000 1.858 119 A HA -0.065 4.256 4.320 0.001 0.000 0.216 119 A C 2.041 179.626 177.584 0.001 0.000 1.190 119 A CA 1.242 53.308 52.037 0.048 0.000 0.617 119 A CB -0.715 18.379 19.000 0.157 0.000 0.827 119 A HN 0.376 nan 8.150 nan 0.000 0.443 120 I N 0.180 120.795 120.570 0.075 0.000 2.127 120 I HA -0.293 3.877 4.170 0.001 0.000 0.241 120 I C 3.017 179.125 176.117 -0.015 0.000 1.075 120 I CA 1.564 62.900 61.300 0.059 0.000 1.334 120 I CB -1.780 36.279 38.000 0.099 0.000 1.040 120 I HN 0.381 nan 8.210 nan 0.000 0.405 121 A N 1.091 123.908 122.820 -0.005 0.000 1.884 121 A HA -0.256 4.064 4.320 0.001 0.000 0.219 121 A C 2.580 180.144 177.584 -0.033 0.000 1.197 121 A CA 2.893 54.922 52.037 -0.014 0.000 0.637 121 A CB -1.055 17.940 19.000 -0.009 0.000 0.827 121 A HN 0.467 nan 8.150 nan 0.000 0.450 122 A N -1.372 121.421 122.820 -0.045 0.000 1.902 122 A HA -0.111 4.210 4.320 0.001 0.000 0.217 122 A C 2.182 179.709 177.584 -0.095 0.000 1.181 122 A CA 2.047 54.051 52.037 -0.054 0.000 0.623 122 A CB -0.472 18.503 19.000 -0.042 0.000 0.818 122 A HN 0.455 nan 8.150 nan 0.000 0.443 123 M N -0.123 119.369 119.600 -0.179 0.000 2.117 123 M HA -0.108 4.372 4.480 0.001 0.000 0.262 123 M C 1.928 178.146 176.300 -0.136 0.000 1.065 123 M CA 1.558 56.701 55.300 -0.260 0.000 1.114 123 M CB -1.188 31.044 32.600 -0.614 0.000 1.361 123 M HN 0.408 nan 8.290 nan 0.000 0.408 124 K N 0.063 120.416 120.400 -0.077 0.000 2.057 124 K HA -0.165 4.156 4.320 0.001 0.000 0.207 124 K C 2.126 178.710 176.600 -0.027 0.000 1.049 124 K CA 1.156 57.428 56.287 -0.025 0.000 0.931 124 K CB -0.183 32.318 32.500 0.002 0.000 0.714 124 K HN 0.255 nan 8.250 nan 0.000 0.440 125 K N 0.936 121.317 120.400 -0.032 0.000 2.032 125 K HA -0.148 4.172 4.320 0.001 0.000 0.209 125 K C 1.958 178.538 176.600 -0.032 0.000 1.048 125 K CA 1.478 57.750 56.287 -0.025 0.000 0.927 125 K CB -0.115 32.372 32.500 -0.023 0.000 0.712 125 K HN 0.132 nan 8.250 nan 0.000 0.441 126 A N -0.270 122.521 122.820 -0.049 0.000 2.168 126 A HA 0.105 4.426 4.320 0.001 0.000 0.215 126 A C 1.388 178.930 177.584 -0.070 0.000 1.152 126 A CA 1.232 53.234 52.037 -0.058 0.000 0.716 126 A CB -0.411 18.546 19.000 -0.071 0.000 0.794 126 A HN 0.629 nan 8.150 nan 0.000 0.465 127 G N -2.125 106.640 108.800 -0.058 0.000 2.144 127 G HA2 -0.161 3.800 3.960 0.001 0.000 0.218 127 G HA3 -0.161 3.800 3.960 0.001 0.000 0.218 127 G C 0.095 174.958 174.900 -0.061 0.000 0.988 127 G CA 0.002 45.073 45.100 -0.049 0.000 0.659 127 G HN 0.716 nan 8.290 nan 0.000 0.522 128 V N 3.440 123.310 119.914 -0.074 0.000 2.488 128 V HA 0.381 4.502 4.120 0.001 0.000 0.277 128 V C -1.020 175.121 176.094 0.079 0.000 1.046 128 V CA -1.083 61.195 62.300 -0.037 0.000 0.986 128 V CB 1.255 33.024 31.823 -0.090 0.000 0.989 128 V HN 0.289 nan 8.190 nan 0.000 0.475 129 P HA 0.115 nan 4.420 nan 0.000 0.267 129 P C -0.540 176.943 177.300 0.304 0.000 1.209 129 P CA 0.065 63.275 63.100 0.184 0.000 0.763 129 P CB 0.605 32.394 31.700 0.148 0.000 0.816 130 C N 2.590 122.050 119.300 0.268 0.000 2.668 130 C HA 0.361 4.821 4.460 0.001 0.000 0.355 130 C C 0.469 175.708 174.990 0.416 0.000 1.277 130 C CA -0.657 58.571 59.018 0.350 0.000 1.787 130 C CB 1.987 29.878 27.740 0.250 0.000 2.233 130 C HN 0.361 nan 8.230 nan 0.000 0.495 131 V N 3.509 123.655 119.914 0.386 0.000 2.450 131 V HA 0.118 4.238 4.120 0.001 0.000 0.281 131 V C -1.945 174.276 176.094 0.212 0.000 1.019 131 V CA -0.285 62.198 62.300 0.305 0.000 1.062 131 V CB -0.201 31.718 31.823 0.159 0.000 0.979 131 V HN 0.739 nan 8.190 nan 0.000 0.477 132 P HA 0.404 nan 4.420 nan 0.000 0.266 132 P C 0.289 177.645 177.300 0.095 0.000 1.195 132 P CA 0.436 63.619 63.100 0.138 0.000 0.768 132 P CB 0.768 32.548 31.700 0.133 0.000 0.838 133 G N -0.269 108.581 108.800 0.084 0.000 2.663 133 G HA2 0.357 4.317 3.960 0.001 0.000 0.299 133 G HA3 0.357 4.317 3.960 0.001 0.000 0.299 133 G C 0.436 175.377 174.900 0.068 0.000 1.372 133 G CA -0.250 44.904 45.100 0.090 0.000 0.781 133 G HN 0.333 nan 8.290 nan 0.000 0.491 134 S N -0.701 115.049 115.700 0.084 0.000 2.555 134 S HA 0.092 4.562 4.470 0.001 0.000 0.230 134 S C 0.261 174.888 174.600 0.046 0.000 0.978 134 S CA 1.037 59.274 58.200 0.060 0.000 0.934 134 S CB -0.173 63.072 63.200 0.075 0.000 0.766 134 S HN 0.647 nan 8.310 nan 0.000 0.533 135 D N 1.469 121.893 120.400 0.039 0.000 2.956 135 D HA 0.086 4.726 4.640 0.001 0.000 0.240 135 D C 0.484 176.785 176.300 0.002 0.000 1.141 135 D CA 1.726 55.733 54.000 0.012 0.000 0.820 135 D CB -1.623 39.187 40.800 0.016 0.000 0.988 135 D HN 1.070 nan 8.370 nan 0.000 0.417 136 G N -1.011 107.781 108.800 -0.014 0.000 2.440 136 G HA2 0.104 4.064 3.960 0.001 0.000 0.684 136 G HA3 0.104 4.064 3.960 0.001 0.000 0.684 136 G C -2.901 172.025 174.900 0.042 0.000 1.309 136 G CA -0.971 44.122 45.100 -0.011 0.000 0.931 136 G HN 0.153 nan 8.290 nan 0.000 0.612 137 P HA 0.322 nan 4.420 nan 0.000 0.266 137 P C 0.351 177.691 177.300 0.066 0.000 1.195 137 P CA -0.117 63.032 63.100 0.082 0.000 0.768 137 P CB 0.400 32.131 31.700 0.051 0.000 0.838 138 L N 2.375 123.641 121.223 0.071 0.000 2.367 138 L HA 0.333 4.673 4.340 0.001 0.000 0.275 138 L C 1.517 178.406 176.870 0.033 0.000 1.129 138 L CA -0.075 54.792 54.840 0.047 0.000 0.839 138 L CB 0.339 42.421 42.059 0.038 0.000 1.133 138 L HN 0.496 nan 8.230 nan 0.000 0.453 139 G N 1.142 109.958 108.800 0.027 0.000 2.494 139 G HA2 0.128 4.088 3.960 0.001 0.000 0.270 139 G HA3 0.128 4.088 3.960 0.001 0.000 0.270 139 G C 0.168 175.080 174.900 0.019 0.000 1.423 139 G CA -0.017 45.096 45.100 0.022 0.000 1.055 139 G HN 0.827 nan 8.290 nan 0.000 0.536 140 D N -1.914 118.496 120.400 0.017 0.000 2.369 140 D HA 0.036 4.677 4.640 0.001 0.000 0.211 140 D C 0.328 176.637 176.300 0.016 0.000 1.077 140 D CA -0.251 53.759 54.000 0.015 0.000 0.842 140 D CB 0.333 41.141 40.800 0.014 0.000 0.947 140 D HN 0.196 nan 8.370 nan 0.000 0.509 141 D N 1.108 121.518 120.400 0.016 0.000 2.441 141 D HA -0.025 4.615 4.640 0.001 0.000 0.243 141 D C 1.162 177.474 176.300 0.019 0.000 1.257 141 D CA -0.129 53.881 54.000 0.016 0.000 1.027 141 D CB 0.341 41.151 40.800 0.016 0.000 1.084 141 D HN -0.119 nan 8.370 nan 0.000 0.514 142 M N 1.529 121.141 119.600 0.020 0.000 2.337 142 M HA -0.150 4.331 4.480 0.001 0.000 0.261 142 M C 1.171 177.488 176.300 0.028 0.000 1.067 142 M CA 0.969 56.284 55.300 0.025 0.000 1.074 142 M CB -0.432 32.182 32.600 0.024 0.000 1.395 142 M HN 0.444 nan 8.290 nan 0.000 0.431 143 D N 0.920 121.334 120.400 0.024 0.000 2.097 143 D HA -0.158 4.483 4.640 0.001 0.000 0.197 143 D C 1.888 178.203 176.300 0.025 0.000 0.984 143 D CA 1.415 55.430 54.000 0.024 0.000 0.826 143 D CB 0.044 40.855 40.800 0.020 0.000 0.973 143 D HN 0.568 nan 8.370 nan 0.000 0.460 144 K N 0.691 121.104 120.400 0.021 0.000 2.228 144 K HA 0.004 4.324 4.320 0.001 0.000 0.202 144 K C 1.528 178.140 176.600 0.019 0.000 1.051 144 K CA 0.728 57.027 56.287 0.019 0.000 0.960 144 K CB -0.233 32.277 32.500 0.017 0.000 0.743 144 K HN 0.078 nan 8.250 nan 0.000 0.458 145 N N 1.059 119.773 118.700 0.024 0.000 2.142 145 N HA -0.071 4.669 4.740 0.001 0.000 0.186 145 N C 1.903 177.431 175.510 0.030 0.000 1.023 145 N CA 0.779 53.844 53.050 0.025 0.000 0.852 145 N CB -0.019 38.486 38.487 0.030 0.000 0.998 145 N HN 0.209 nan 8.380 nan 0.000 0.424 146 R N 0.664 121.191 120.500 0.046 0.000 2.115 146 R HA 0.013 4.354 4.340 0.001 0.000 0.230 146 R C 2.209 178.537 176.300 0.048 0.000 1.111 146 R CA 1.045 57.190 56.100 0.075 0.000 0.976 146 R CB -0.150 30.197 30.300 0.078 0.000 0.870 146 R HN 0.207 nan 8.270 nan 0.000 0.445 147 A N 1.115 123.951 122.820 0.027 0.000 1.929 147 A HA -0.064 4.257 4.320 0.001 0.000 0.216 147 A C 2.092 179.670 177.584 -0.010 0.000 1.176 147 A CA 0.857 52.903 52.037 0.014 0.000 0.628 147 A CB -0.292 18.717 19.000 0.016 0.000 0.816 147 A HN 0.131 nan 8.150 nan 0.000 0.444 148 I N -0.209 120.353 120.570 -0.015 0.000 2.142 148 I HA -0.277 3.893 4.170 0.001 0.000 0.240 148 I C 3.019 179.084 176.117 -0.088 0.000 1.078 148 I CA 1.113 62.395 61.300 -0.030 0.000 1.343 148 I CB -0.433 37.560 38.000 -0.012 0.000 1.046 148 I HN 0.356 nan 8.210 nan 0.000 0.405 149 A N 0.843 123.577 122.820 -0.142 0.000 1.883 149 A HA -0.289 4.031 4.320 0.001 0.000 0.217 149 A C 2.390 179.715 177.584 -0.432 0.000 1.186 149 A CA 2.149 53.958 52.037 -0.381 0.000 0.624 149 A CB -0.635 18.069 19.000 -0.494 0.000 0.822 149 A HN 0.373 nan 8.150 nan 0.000 0.444 150 K N -0.492 119.785 120.400 -0.205 0.000 2.020 150 K HA -0.226 4.094 4.320 0.001 0.000 0.212 150 K C 2.378 178.937 176.600 -0.069 0.000 1.050 150 K CA 1.761 58.001 56.287 -0.078 0.000 0.929 150 K CB -0.283 32.229 32.500 0.020 0.000 0.714 150 K HN 0.419 nan 8.250 nan 0.000 0.443 151 R N 0.627 121.097 120.500 -0.050 0.000 2.105 151 R HA -0.125 4.215 4.340 0.001 0.000 0.239 151 R C 2.207 178.490 176.300 -0.029 0.000 1.135 151 R CA 1.802 57.887 56.100 -0.024 0.000 0.967 151 R CB -0.238 30.055 30.300 -0.012 0.000 0.861 151 R HN 0.338 nan 8.270 nan 0.000 0.442 152 I N -0.138 120.393 120.570 -0.065 0.000 2.617 152 I HA 0.039 4.209 4.170 0.001 0.000 0.256 152 I C 0.774 176.852 176.117 -0.064 0.000 1.167 152 I CA 0.733 62.003 61.300 -0.050 0.000 1.469 152 I CB -0.121 37.837 38.000 -0.070 0.000 1.098 152 I HN 0.447 nan 8.210 nan 0.000 0.436 153 G N 0.599 109.319 108.800 -0.133 0.000 3.172 153 G HA2 -0.230 3.730 3.960 0.001 0.000 0.686 153 G HA3 -0.230 3.730 3.960 0.001 0.000 0.686 153 G C -0.697 174.133 174.900 -0.117 0.000 1.009 153 G CA -0.905 44.144 45.100 -0.085 0.000 0.787 153 G HN 0.047 nan 8.290 nan 0.000 0.559 154 Y N 2.789 123.109 120.300 0.033 0.000 2.379 154 Y HA 0.479 5.029 4.550 0.001 0.000 0.337 154 Y C -0.368 175.560 175.900 0.048 0.000 1.238 154 Y CA -0.631 57.493 58.100 0.039 0.000 1.405 154 Y CB 0.503 38.980 38.460 0.029 0.000 1.310 154 Y HN 0.588 nan 8.280 nan 0.000 0.569 155 P HA 0.270 nan 4.420 nan 0.000 0.277 155 P C -1.130 176.316 177.300 0.243 0.000 1.240 155 P CA -0.289 63.014 63.100 0.339 0.000 0.798 155 P CB 1.489 33.390 31.700 0.335 0.000 0.979 156 V N 0.123 120.163 119.914 0.210 0.000 2.919 156 V HA 0.677 4.797 4.120 0.001 0.000 0.316 156 V C -0.313 175.802 176.094 0.035 0.000 1.077 156 V CA -1.138 61.205 62.300 0.070 0.000 0.977 156 V CB 2.054 33.839 31.823 -0.063 0.000 1.039 156 V HN 0.586 nan 8.190 nan 0.000 0.441 157 I N 2.534 123.104 120.570 -0.001 0.000 2.498 157 I HA 0.517 4.688 4.170 0.001 0.000 0.290 157 I C -1.161 174.887 176.117 -0.114 0.000 1.032 157 I CA -0.934 60.308 61.300 -0.098 0.000 1.073 157 I CB 1.660 39.605 38.000 -0.092 0.000 1.251 157 I HN 0.570 nan 8.210 nan 0.000 0.426 158 I N 7.569 128.055 120.570 -0.139 0.000 2.325 158 I HA 0.338 4.509 4.170 0.001 0.000 0.291 158 I C -0.094 175.868 176.117 -0.257 0.000 1.019 158 I CA -0.289 60.906 61.300 -0.175 0.000 1.302 158 I CB 0.813 38.747 38.000 -0.110 0.000 1.401 158 I HN 0.523 nan 8.210 nan 0.000 0.485 159 K N 4.385 124.501 120.400 -0.473 0.000 2.318 159 K HA 0.763 5.083 4.320 0.001 0.000 0.249 159 K C -0.526 175.746 176.600 -0.546 0.000 0.942 159 K CA -0.780 55.162 56.287 -0.575 0.000 0.808 159 K CB 2.613 34.592 32.500 -0.868 0.000 1.189 159 K HN 0.656 nan 8.250 nan 0.000 0.428 160 A N 1.158 123.776 122.820 -0.336 0.000 2.331 160 A HA 0.248 4.568 4.320 0.001 0.000 0.283 160 A C -0.182 177.279 177.584 -0.205 0.000 1.142 160 A CA -0.445 51.425 52.037 -0.277 0.000 0.812 160 A CB 0.363 19.137 19.000 -0.376 0.000 1.074 160 A HN 0.616 nan 8.150 nan 0.000 0.497 161 S N 1.565 117.231 115.700 -0.056 0.000 3.919 161 S HA 0.469 4.939 4.470 0.001 0.000 0.245 161 S C 0.830 175.341 174.600 -0.148 0.000 1.344 161 S CA 0.460 58.681 58.200 0.036 0.000 0.896 161 S CB -0.215 63.034 63.200 0.081 0.000 1.557 161 S HN 1.705 nan 8.310 nan 0.000 0.468 162 G N 0.805 109.419 108.800 -0.311 0.000 3.442 162 G HA2 0.313 4.273 3.960 0.001 0.000 0.224 162 G HA3 0.313 4.273 3.960 0.001 0.000 0.224 162 G C -0.049 174.401 174.900 -0.750 0.000 0.988 162 G CA -0.228 44.657 45.100 -0.359 0.000 1.133 162 G HN 0.863 nan 8.290 nan 0.000 0.659 170 R N 1.736 122.167 120.500 -0.115 0.000 2.548 170 R HA 0.732 5.072 4.340 0.001 0.000 0.280 170 R C -1.998 174.196 176.300 -0.177 0.000 1.061 170 R CA -0.566 55.461 56.100 -0.122 0.000 0.915 170 R CB 2.274 32.525 30.300 -0.080 0.000 1.210 170 R HN 0.570 nan 8.270 nan 0.000 0.442 171 V N 4.561 124.333 119.914 -0.236 0.000 2.498 171 V HA 0.336 4.456 4.120 0.001 0.000 0.279 171 V C -0.216 175.789 176.094 -0.149 0.000 1.048 171 V CA -0.400 61.707 62.300 -0.321 0.000 0.967 171 V CB 1.516 33.032 31.823 -0.512 0.000 0.988 171 V HN 0.461 nan 8.190 nan 0.000 0.473 172 V N 6.424 126.300 119.914 -0.062 0.000 2.487 172 V HA 0.450 4.571 4.120 0.001 0.000 0.298 172 V C 0.627 176.779 176.094 0.097 0.000 1.028 172 V CA -0.624 61.691 62.300 0.025 0.000 0.860 172 V CB 1.671 33.560 31.823 0.110 0.000 0.991 172 V HN 0.835 nan 8.190 nan 0.000 0.427 173 R N 2.485 122.961 120.500 -0.041 0.000 2.362 173 R HA 0.457 4.797 4.340 0.001 0.000 0.227 173 R C 0.672 176.675 176.300 -0.495 0.000 0.905 173 R CA 0.358 56.406 56.100 -0.086 0.000 1.067 173 R CB 1.151 31.421 30.300 -0.050 0.000 1.078 173 R HN 0.806 nan 8.270 nan 0.000 0.516 174 G N 0.433 108.768 108.800 -0.776 0.000 2.673 174 G HA2 0.093 4.053 3.960 0.001 0.000 0.292 174 G HA3 0.093 4.053 3.960 0.001 0.000 0.292 174 G C -0.679 173.771 174.900 -0.749 0.000 1.450 174 G CA -0.616 43.860 45.100 -1.039 0.000 0.837 174 G HN 0.030 nan 8.290 nan 0.000 0.505 175 D N -0.061 120.046 120.400 -0.488 0.000 2.310 175 D HA 0.010 4.650 4.640 0.001 0.000 0.212 175 D C 2.120 178.389 176.300 -0.052 0.000 0.965 175 D CA 1.124 55.097 54.000 -0.044 0.000 0.879 175 D CB -0.160 40.700 40.800 0.101 0.000 0.921 175 D HN 0.499 nan 8.370 nan 0.000 0.510 176 A N 0.587 123.344 122.820 -0.106 0.000 2.019 176 A HA -0.154 4.166 4.320 0.001 0.000 0.219 176 A C 1.824 179.376 177.584 -0.053 0.000 1.164 176 A CA 1.237 53.235 52.037 -0.066 0.000 0.644 176 A CB -0.375 18.580 19.000 -0.075 0.000 0.805 176 A HN 0.284 nan 8.150 nan 0.000 0.449 177 E N -1.267 118.892 120.200 -0.070 0.000 2.526 177 E HA 0.167 4.517 4.350 0.001 0.000 0.208 177 E C 1.299 177.888 176.600 -0.017 0.000 0.997 177 E CA -0.364 56.008 56.400 -0.045 0.000 0.961 177 E CB 0.265 29.929 29.700 -0.060 0.000 1.030 177 E HN 0.395 nan 8.360 nan 0.000 0.483 178 L N 1.483 122.710 121.223 0.006 0.000 1.989 178 L HA -0.157 4.183 4.340 0.001 0.000 0.211 178 L C 2.193 179.082 176.870 0.031 0.000 1.071 178 L CA 2.290 57.162 54.840 0.054 0.000 0.749 178 L CB -0.778 41.351 42.059 0.116 0.000 0.890 178 L HN 0.137 nan 8.230 nan 0.000 0.431 179 A N -1.005 121.829 122.820 0.023 0.000 1.859 179 A HA -0.318 4.002 4.320 0.001 0.000 0.217 179 A C 2.142 179.729 177.584 0.006 0.000 1.198 179 A CA 2.193 54.239 52.037 0.015 0.000 0.629 179 A CB -0.792 18.215 19.000 0.012 0.000 0.830 179 A HN 0.682 nan 8.150 nan 0.000 0.446 180 Q N -0.336 119.464 119.800 -0.000 0.000 2.061 180 Q HA -0.139 4.202 4.340 0.001 0.000 0.204 180 Q C 2.470 178.466 176.000 -0.007 0.000 0.984 180 Q CA 1.821 57.621 55.803 -0.005 0.000 0.846 180 Q CB -0.316 28.416 28.738 -0.010 0.000 0.902 180 Q HN 0.635 nan 8.270 nan 0.000 0.421 181 S N 0.810 116.505 115.700 -0.009 0.000 2.370 181 S HA -0.146 4.325 4.470 0.001 0.000 0.226 181 S C 1.956 176.548 174.600 -0.014 0.000 1.033 181 S CA 1.065 59.256 58.200 -0.015 0.000 1.011 181 S CB -0.247 62.943 63.200 -0.015 0.000 0.852 181 S HN 0.279 nan 8.310 nan 0.000 0.457 182 I N 1.826 122.393 120.570 -0.006 0.000 2.179 182 I HA -0.203 3.967 4.170 0.001 0.000 0.242 182 I C 2.706 178.820 176.117 -0.005 0.000 1.088 182 I CA 1.435 62.730 61.300 -0.008 0.000 1.357 182 I CB -0.521 37.481 38.000 0.003 0.000 1.051 182 I HN 0.383 nan 8.210 nan 0.000 0.409 183 S N 0.901 116.601 115.700 -0.001 0.000 2.368 183 S HA -0.195 4.275 4.470 0.001 0.000 0.225 183 S C 2.046 176.647 174.600 0.001 0.000 1.030 183 S CA 1.051 59.252 58.200 0.002 0.000 0.999 183 S CB -0.590 62.612 63.200 0.003 0.000 0.844 183 S HN 0.337 nan 8.310 nan 0.000 0.459 184 M N 1.418 121.016 119.600 -0.003 0.000 2.108 184 M HA -0.093 4.388 4.480 0.001 0.000 0.261 184 M C 2.430 178.730 176.300 -0.000 0.000 1.066 184 M CA 1.875 57.174 55.300 -0.003 0.000 1.107 184 M CB -1.013 31.582 32.600 -0.009 0.000 1.356 184 M HN 0.409 nan 8.290 nan 0.000 0.406 185 T N -0.224 114.325 114.554 -0.008 0.000 2.821 185 T HA -0.051 4.299 4.350 0.001 0.000 0.267 185 T C 1.883 176.586 174.700 0.007 0.000 1.046 185 T CA 0.736 62.831 62.100 -0.009 0.000 1.139 185 T CB -0.175 68.671 68.868 -0.036 0.000 0.871 185 T HN 0.263 nan 8.240 nan 0.000 0.454 186 R N 1.513 122.015 120.500 0.005 0.000 2.097 186 R HA -0.062 4.278 4.340 0.001 0.000 0.236 186 R C 2.809 179.128 176.300 0.030 0.000 1.135 186 R CA 1.734 57.842 56.100 0.015 0.000 0.934 186 R CB -1.343 28.964 30.300 0.012 0.000 0.846 186 R HN 0.452 nan 8.270 nan 0.000 0.431 187 A N 1.665 124.500 122.820 0.025 0.000 1.852 187 A HA -0.267 4.053 4.320 0.001 0.000 0.217 187 A C 2.111 179.720 177.584 0.043 0.000 1.215 187 A CA 2.161 54.215 52.037 0.028 0.000 0.641 187 A CB -0.808 18.203 19.000 0.018 0.000 0.838 187 A HN 0.503 nan 8.150 nan 0.000 0.450 188 E N -0.516 119.710 120.200 0.043 0.000 2.108 188 E HA -0.270 4.080 4.350 0.001 0.000 0.203 188 E C 2.261 178.931 176.600 0.117 0.000 1.022 188 E CA 1.408 57.844 56.400 0.060 0.000 0.823 188 E CB -0.395 29.340 29.700 0.058 0.000 0.744 188 E HN 0.656 nan 8.360 nan 0.000 0.456 189 A N 1.408 124.321 122.820 0.154 0.000 1.929 189 A HA -0.175 4.145 4.320 0.001 0.000 0.216 189 A C 1.916 179.634 177.584 0.223 0.000 1.176 189 A CA 1.080 53.286 52.037 0.282 0.000 0.628 189 A CB -0.217 18.867 19.000 0.140 0.000 0.816 189 A HN 0.033 nan 8.150 nan 0.000 0.444 190 K N 0.034 120.505 120.400 0.118 0.000 2.001 190 K HA -0.265 4.056 4.320 0.001 0.000 0.223 190 K C 2.278 178.937 176.600 0.097 0.000 1.055 190 K CA 1.547 57.888 56.287 0.090 0.000 0.965 190 K CB -0.727 31.805 32.500 0.054 0.000 0.730 190 K HN 0.452 nan 8.250 nan 0.000 0.449 191 A N 1.183 124.043 122.820 0.067 0.000 2.021 191 A HA -0.203 4.117 4.320 0.001 0.000 0.206 191 A C 2.271 179.865 177.584 0.016 0.000 1.210 191 A CA 2.809 54.864 52.037 0.031 0.000 0.733 191 A CB -1.465 17.540 19.000 0.008 0.000 0.839 191 A HN 0.467 nan 8.150 nan 0.000 0.495 192 A N -1.276 121.530 122.820 -0.023 0.000 1.762 192 A HA -0.225 4.096 4.320 0.001 0.000 0.285 192 A C 1.069 178.427 177.584 -0.377 0.000 2.926 192 A CA 2.402 54.306 52.037 -0.222 0.000 0.873 192 A CB -1.491 17.459 19.000 -0.083 0.000 0.820 192 A HN 0.622 nan 8.150 nan 0.000 0.524 196 D N -0.460 119.968 120.400 0.046 0.000 2.489 196 D HA 0.270 4.911 4.640 0.001 0.000 0.231 196 D C -0.105 176.208 176.300 0.022 0.000 1.114 196 D CA 0.319 54.340 54.000 0.036 0.000 0.842 196 D CB 0.377 41.196 40.800 0.032 0.000 1.133 196 D HN 0.412 nan 8.370 nan 0.000 0.506 197 M N 1.193 120.804 119.600 0.019 0.000 2.249 197 M HA 0.205 4.686 4.480 0.001 0.000 0.340 197 M C -0.287 176.024 176.300 0.018 0.000 1.166 197 M CA 0.120 55.434 55.300 0.023 0.000 1.115 197 M CB 1.069 33.686 32.600 0.029 0.000 1.606 197 M HN -0.209 nan 8.290 nan 0.000 0.448 198 V N 4.661 124.596 119.914 0.034 0.000 2.888 198 V HA 0.536 4.657 4.120 0.001 0.000 0.309 198 V C -1.054 175.085 176.094 0.075 0.000 1.114 198 V CA -0.860 61.442 62.300 0.004 0.000 0.940 198 V CB 2.311 34.110 31.823 -0.041 0.000 1.021 198 V HN 0.826 nan 8.190 nan 0.000 0.426 199 Y N 1.963 122.244 120.300 -0.032 0.000 2.602 199 Y HA 0.888 5.438 4.550 0.001 0.000 0.342 199 Y C -0.505 175.386 175.900 -0.015 0.000 1.029 199 Y CA -1.458 56.630 58.100 -0.020 0.000 1.080 199 Y CB 2.003 40.451 38.460 -0.020 0.000 1.284 199 Y HN 0.638 nan 8.280 nan 0.000 0.485 200 M N 1.985 121.664 119.600 0.132 0.000 2.456 200 M HA 0.507 4.987 4.480 0.001 0.000 0.324 200 M C -1.678 174.696 176.300 0.124 0.000 1.124 200 M CA -0.220 55.100 55.300 0.033 0.000 0.959 200 M CB 2.105 34.715 32.600 0.017 0.000 1.692 200 M HN 1.004 nan 8.290 nan 0.000 0.444 201 E N 2.107 122.344 120.200 0.062 0.000 2.393 201 E HA 0.318 4.668 4.350 0.001 0.000 0.273 201 E C -1.662 174.967 176.600 0.048 0.000 0.918 201 E CA -0.944 55.513 56.400 0.095 0.000 0.773 201 E CB 2.802 32.587 29.700 0.142 0.000 1.275 201 E HN 0.555 nan 8.360 nan 0.000 0.451 202 K N 1.790 122.206 120.400 0.026 0.000 2.368 202 K HA 0.050 4.370 4.320 0.001 0.000 0.282 202 K C -1.134 175.480 176.600 0.024 0.000 1.035 202 K CA -0.144 56.137 56.287 -0.010 0.000 0.973 202 K CB 0.389 32.843 32.500 -0.078 0.000 0.957 202 K HN 0.410 nan 8.250 nan 0.000 0.474 203 Y N 5.933 126.187 120.300 -0.077 0.000 2.452 203 Y HA 0.200 4.750 4.550 0.001 0.000 0.348 203 Y C -0.812 175.040 175.900 -0.080 0.000 0.985 203 Y CA -0.671 57.395 58.100 -0.056 0.000 1.214 203 Y CB 0.398 38.850 38.460 -0.013 0.000 1.136 203 Y HN 0.466 nan 8.280 nan 0.000 0.523 204 L N 7.302 128.251 121.223 -0.456 0.000 2.352 204 L HA 0.244 4.584 4.340 0.001 0.000 0.272 204 L C 1.299 177.820 176.870 -0.580 0.000 1.109 204 L CA -0.056 54.516 54.840 -0.446 0.000 0.952 204 L CB 0.673 42.522 42.059 -0.350 0.000 1.314 204 L HN 0.722 nan 8.230 nan 0.000 0.427 205 E N 2.383 122.169 120.200 -0.690 0.000 2.051 205 E HA -0.143 4.207 4.350 0.001 0.000 0.192 205 E C 0.166 176.715 176.600 -0.084 0.000 0.991 205 E CA 1.275 57.348 56.400 -0.545 0.000 0.799 205 E CB 0.305 29.822 29.700 -0.305 0.000 0.748 205 E HN 0.643 nan 8.360 nan 0.000 0.449 206 N N 1.058 119.733 118.700 -0.042 0.000 2.723 206 N HA 0.209 4.949 4.740 0.001 0.000 0.290 206 N C -2.681 172.828 175.510 -0.001 0.000 1.882 206 N CA -0.989 52.104 53.050 0.072 0.000 0.851 206 N CB 1.770 40.305 38.487 0.079 0.000 1.234 206 N HN 0.141 nan 8.380 nan 0.000 0.491 207 P HA 0.336 nan 4.420 nan 0.000 0.281 207 P C -0.623 176.684 177.300 0.012 0.000 1.264 207 P CA -0.444 62.638 63.100 -0.029 0.000 0.824 207 P CB 1.823 33.500 31.700 -0.038 0.000 1.092 208 R N -0.345 120.211 120.500 0.094 0.000 2.720 208 R HA 0.415 4.755 4.340 0.001 0.000 0.272 208 R C -0.058 176.360 176.300 0.196 0.000 0.991 208 R CA -0.712 55.478 56.100 0.150 0.000 1.010 208 R CB 0.768 31.192 30.300 0.207 0.000 1.141 208 R HN 0.613 nan 8.270 nan 0.000 0.494 209 H N 0.899 120.036 119.070 0.111 0.000 2.690 209 H HA 0.361 4.917 4.556 0.001 0.000 0.289 209 H C -1.232 174.184 175.328 0.146 0.000 1.089 209 H CA -0.447 55.675 56.048 0.123 0.000 1.299 209 H CB 0.608 30.415 29.762 0.074 0.000 1.405 209 H HN 0.103 nan 8.280 nan 0.000 0.463 210 V N 6.407 126.363 119.914 0.069 0.000 2.540 210 V HA 0.261 4.381 4.120 0.001 0.000 0.302 210 V C -0.520 175.685 176.094 0.184 0.000 1.035 210 V CA -0.785 61.607 62.300 0.152 0.000 0.873 210 V CB 1.531 33.416 31.823 0.102 0.000 0.992 210 V HN 0.909 nan 8.190 nan 0.000 0.428 211 E N 4.395 124.724 120.200 0.216 0.000 2.266 211 E HA 0.711 5.061 4.350 0.001 0.000 0.268 211 E C -1.734 175.002 176.600 0.228 0.000 0.879 211 E CA -0.979 55.576 56.400 0.259 0.000 0.762 211 E CB 2.593 32.439 29.700 0.243 0.000 1.199 211 E HN 0.376 nan 8.360 nan 0.000 0.422 212 I N 2.399 123.143 120.570 0.289 0.000 2.336 212 I HA 0.122 4.292 4.170 0.001 0.000 0.292 212 I C -0.102 176.166 176.117 0.253 0.000 0.991 212 I CA -0.437 60.987 61.300 0.207 0.000 1.227 212 I CB 1.493 39.556 38.000 0.105 0.000 1.366 212 I HN 0.568 nan 8.210 nan 0.000 0.466 213 Q N 6.345 126.262 119.800 0.195 0.000 2.261 213 Q HA 0.663 5.004 4.340 0.001 0.000 0.252 213 Q C -0.935 175.184 176.000 0.197 0.000 0.915 213 Q CA -0.332 55.581 55.803 0.184 0.000 0.915 213 Q CB 1.287 30.112 28.738 0.144 0.000 1.204 213 Q HN 0.539 nan 8.270 nan 0.000 0.421 214 V N 1.407 121.438 119.914 0.194 0.000 3.102 214 V HA 0.766 4.886 4.120 0.001 0.000 0.312 214 V C -1.166 175.025 176.094 0.162 0.000 1.135 214 V CA -1.062 61.350 62.300 0.187 0.000 1.022 214 V CB 2.080 34.047 31.823 0.241 0.000 1.056 214 V HN 0.763 nan 8.190 nan 0.000 0.436 215 L N 1.617 122.929 121.223 0.147 0.000 2.464 215 L HA 0.926 5.266 4.340 0.001 0.000 0.266 215 L C -0.380 176.580 176.870 0.150 0.000 0.965 215 L CA -0.579 54.346 54.840 0.141 0.000 0.833 215 L CB 2.108 44.212 42.059 0.076 0.000 1.296 215 L HN 1.143 nan 8.230 nan 0.000 0.405 216 A N 0.947 123.875 122.820 0.181 0.000 2.449 216 A HA 0.595 4.915 4.320 0.001 0.000 0.302 216 A C -0.515 177.115 177.584 0.077 0.000 1.048 216 A CA -0.563 51.566 52.037 0.153 0.000 0.708 216 A CB 1.343 20.503 19.000 0.266 0.000 1.274 216 A HN 0.787 nan 8.150 nan 0.000 0.410 217 D N 0.754 121.180 120.400 0.044 0.000 2.349 217 D HA 0.275 4.915 4.640 0.001 0.000 0.214 217 D C 1.130 177.428 176.300 -0.002 0.000 1.063 217 D CA 0.765 54.773 54.000 0.013 0.000 0.847 217 D CB 0.005 40.811 40.800 0.009 0.000 0.933 217 D HN 1.628 nan 8.370 nan 0.000 0.513 218 G N 0.570 109.374 108.800 0.007 0.000 2.168 218 G HA2 -0.368 3.593 3.960 0.001 0.000 0.257 218 G HA3 -0.368 3.593 3.960 0.001 0.000 0.257 218 G C 0.636 175.536 174.900 -0.000 0.000 0.997 218 G CA 0.549 45.645 45.100 -0.006 0.000 0.708 218 G HN 0.490 nan 8.290 nan 0.000 0.520 219 Q N -1.370 118.434 119.800 0.006 0.000 2.139 219 Q HA 0.454 4.795 4.340 0.001 0.000 0.219 219 Q C 1.643 177.649 176.000 0.009 0.000 0.805 219 Q CA 0.435 56.240 55.803 0.003 0.000 1.024 219 Q CB 1.177 29.914 28.738 -0.001 0.000 1.163 219 Q HN 1.355 nan 8.270 nan 0.000 0.485 220 G N 1.121 109.931 108.800 0.018 0.000 2.184 220 G HA2 -0.172 3.788 3.960 0.001 0.000 0.206 220 G HA3 -0.172 3.788 3.960 0.001 0.000 0.206 220 G C -0.230 174.683 174.900 0.022 0.000 0.995 220 G CA -0.595 44.516 45.100 0.019 0.000 0.651 220 G HN 0.232 nan 8.290 nan 0.000 0.511 221 N N 1.076 119.790 118.700 0.023 0.000 2.408 221 N HA 0.693 5.434 4.740 0.001 0.000 0.280 221 N C -0.245 175.289 175.510 0.039 0.000 1.002 221 N CA 0.603 53.666 53.050 0.021 0.000 0.907 221 N CB 1.929 40.422 38.487 0.010 0.000 1.161 221 N HN 0.881 nan 8.380 nan 0.000 0.488 222 A N 2.165 125.009 122.820 0.040 0.000 2.488 222 A HA 0.748 5.069 4.320 0.001 0.000 0.298 222 A C -0.609 176.997 177.584 0.037 0.000 1.044 222 A CA -0.747 51.327 52.037 0.063 0.000 0.693 222 A CB 1.142 20.197 19.000 0.091 0.000 1.272 222 A HN 0.680 nan 8.150 nan 0.000 0.402 223 I N -0.912 119.677 120.570 0.030 0.000 2.969 223 I HA 0.869 5.039 4.170 0.001 0.000 0.307 223 I C -1.002 175.122 176.117 0.012 0.000 1.149 223 I CA -1.245 60.029 61.300 -0.043 0.000 1.008 223 I CB 2.177 40.099 38.000 -0.129 0.000 1.232 223 I HN 0.761 nan 8.210 nan 0.000 0.435 224 Y N 2.463 122.747 120.300 -0.027 0.000 2.446 224 Y HA 0.815 5.366 4.550 0.001 0.000 0.338 224 Y C -1.280 174.612 175.900 -0.015 0.000 1.055 224 Y CA -1.606 56.479 58.100 -0.024 0.000 1.101 224 Y CB 1.360 39.773 38.460 -0.078 0.000 1.221 224 Y HN 0.422 nan 8.280 nan 0.000 0.460 225 L N 4.355 125.634 121.223 0.094 0.000 2.581 225 L HA 0.702 5.043 4.340 0.001 0.000 0.241 225 L C 0.490 177.431 176.870 0.117 0.000 1.265 225 L CA 0.153 55.012 54.840 0.032 0.000 0.954 225 L CB -0.062 42.013 42.059 0.027 0.000 1.269 225 L HN 1.136 nan 8.230 nan 0.000 0.475 226 A N 0.794 123.736 122.820 0.202 0.000 6.359 226 A HA -0.042 4.278 4.320 0.001 0.000 0.256 226 A C 0.394 178.045 177.584 0.112 0.000 2.122 226 A CA 1.133 53.267 52.037 0.161 0.000 0.707 226 A CB -0.590 18.465 19.000 0.092 0.000 1.048 226 A HN 0.668 nan 8.150 nan 0.000 0.373 227 E N 0.265 120.502 120.200 0.063 0.000 2.393 227 E HA 0.845 5.195 4.350 0.001 0.000 0.265 227 E C -0.485 176.149 176.600 0.057 0.000 0.941 227 E CA -0.867 55.567 56.400 0.057 0.000 0.801 227 E CB 1.247 30.956 29.700 0.016 0.000 1.313 227 E HN 0.831 nan 8.360 nan 0.000 0.435 228 R N -0.027 120.524 120.500 0.085 0.000 2.725 228 R HA 0.364 4.704 4.340 0.001 0.000 0.277 228 R C -1.188 175.189 176.300 0.129 0.000 0.987 228 R CA -0.811 55.341 56.100 0.086 0.000 0.901 228 R CB 1.727 32.085 30.300 0.098 0.000 1.207 228 R HN 0.552 nan 8.270 nan 0.000 0.463 229 D N 1.762 122.234 120.400 0.120 0.000 2.349 229 D HA 0.222 4.862 4.640 0.001 0.000 0.232 229 D C -0.538 175.860 176.300 0.164 0.000 1.071 229 D CA -0.357 53.738 54.000 0.159 0.000 0.832 229 D CB 1.286 42.164 40.800 0.131 0.000 1.086 229 D HN 0.578 nan 8.370 nan 0.000 0.504 230 C N 3.127 122.547 119.300 0.201 0.000 2.624 230 C HA 0.223 4.684 4.460 0.001 0.000 0.263 230 C C 1.846 176.825 174.990 -0.018 0.000 1.587 230 C CA -0.527 58.508 59.018 0.028 0.000 1.718 230 C CB -1.198 26.454 27.740 -0.146 0.000 3.050 230 C HN 0.523 nan 8.230 nan 0.000 0.517 231 S N 0.899 116.662 115.700 0.105 0.000 2.428 231 S HA 0.029 4.499 4.470 0.001 0.000 0.230 231 S C 1.141 175.777 174.600 0.060 0.000 1.014 231 S CA 0.887 59.148 58.200 0.103 0.000 0.957 231 S CB -0.133 63.150 63.200 0.137 0.000 0.784 231 S HN 0.596 nan 8.310 nan 0.000 0.499 232 M N 3.110 122.742 119.600 0.054 0.000 2.760 232 M HA 0.216 4.697 4.480 0.001 0.000 0.314 232 M C -0.193 176.086 176.300 -0.035 0.000 1.582 232 M CA 0.853 56.167 55.300 0.024 0.000 1.484 232 M CB -1.121 31.465 32.600 -0.024 0.000 1.621 232 M HN 0.300 nan 8.290 nan 0.000 0.470 233 Q N 1.517 121.297 119.800 -0.033 0.000 2.413 233 Q HA 0.642 4.982 4.340 0.001 0.000 0.276 233 Q C -0.547 175.386 176.000 -0.112 0.000 1.099 233 Q CA -0.828 54.932 55.803 -0.073 0.000 0.814 233 Q CB 3.366 32.077 28.738 -0.044 0.000 1.379 233 Q HN 0.502 nan 8.270 nan 0.000 0.436 234 R N 1.374 121.771 120.500 -0.172 0.000 2.502 234 R HA 0.340 4.680 4.340 0.001 0.000 0.300 234 R C -0.802 175.333 176.300 -0.274 0.000 0.984 234 R CA -0.325 55.613 56.100 -0.269 0.000 0.882 234 R CB 0.756 30.804 30.300 -0.419 0.000 1.180 234 R HN 0.721 nan 8.270 nan 0.000 0.444 235 R N 3.955 124.290 120.500 -0.275 0.000 3.333 235 R HA -0.207 4.133 4.340 0.001 0.000 0.256 235 R C -0.552 175.633 176.300 -0.191 0.000 1.010 235 R CA 1.050 56.989 56.100 -0.269 0.000 0.680 235 R CB -1.579 28.649 30.300 -0.119 0.000 1.102 235 R HN 0.933 nan 8.270 nan 0.000 0.440 236 H N -3.342 115.705 119.070 -0.039 0.000 3.366 236 H HA -0.196 4.360 4.556 0.001 0.000 0.233 236 H C -0.145 175.141 175.328 -0.069 0.000 1.102 236 H CA 1.863 57.889 56.048 -0.037 0.000 1.184 236 H CB -1.160 28.597 29.762 -0.009 0.000 1.216 236 H HN 0.606 nan 8.280 nan 0.000 0.317 237 Q N 1.228 121.020 119.800 -0.014 0.000 2.257 237 Q HA 0.357 4.697 4.340 0.001 0.000 0.255 237 Q C 0.198 176.141 176.000 -0.094 0.000 0.920 237 Q CA -0.607 55.162 55.803 -0.057 0.000 0.927 237 Q CB 1.820 30.513 28.738 -0.074 0.000 1.229 237 Q HN 0.162 nan 8.270 nan 0.000 0.433 238 K N 1.336 121.671 120.400 -0.108 0.000 2.412 238 K HA 0.051 4.372 4.320 0.001 0.000 0.281 238 K C 0.195 176.732 176.600 -0.104 0.000 1.027 238 K CA -0.091 56.122 56.287 -0.123 0.000 0.989 238 K CB 0.882 33.291 32.500 -0.151 0.000 0.935 238 K HN 0.387 nan 8.250 nan 0.000 0.475 239 V N 2.423 122.279 119.914 -0.096 0.000 3.090 239 V HA 0.040 4.160 4.120 0.001 0.000 0.237 239 V C 0.127 176.176 176.094 -0.076 0.000 1.209 239 V CA 0.194 62.440 62.300 -0.089 0.000 1.209 239 V CB 1.110 32.869 31.823 -0.106 0.000 0.971 239 V HN 0.445 nan 8.190 nan 0.000 0.477 240 V N 0.677 120.545 119.914 -0.075 0.000 2.789 240 V HA 0.646 4.766 4.120 0.001 0.000 0.311 240 V C -1.255 174.836 176.094 -0.004 0.000 1.073 240 V CA -0.552 61.713 62.300 -0.058 0.000 0.921 240 V CB 2.248 33.984 31.823 -0.145 0.000 1.009 240 V HN 0.440 nan 8.190 nan 0.000 0.426 241 E N 2.073 122.293 120.200 0.032 0.000 2.340 241 E HA 0.707 5.057 4.350 0.001 0.000 0.273 241 E C -1.202 175.456 176.600 0.097 0.000 0.891 241 E CA -0.796 55.638 56.400 0.056 0.000 0.757 241 E CB 2.624 32.335 29.700 0.019 0.000 1.231 241 E HN 0.871 nan 8.360 nan 0.000 0.439 242 E N 0.370 120.632 120.200 0.102 0.000 2.433 242 E HA 0.883 5.233 4.350 0.001 0.000 0.278 242 E C -1.527 175.045 176.600 -0.046 0.000 0.976 242 E CA -1.501 54.939 56.400 0.067 0.000 0.793 242 E CB 1.947 31.777 29.700 0.215 0.000 1.311 242 E HN 0.443 nan 8.360 nan 0.000 0.460 243 A N 1.618 124.282 122.820 -0.261 0.000 2.517 243 A HA 0.660 4.980 4.320 0.001 0.000 0.297 243 A C -2.830 174.388 177.584 -0.610 0.000 1.050 243 A CA -1.404 50.468 52.037 -0.274 0.000 0.694 243 A CB 1.685 20.627 19.000 -0.097 0.000 1.277 243 A HN 0.521 nan 8.150 nan 0.000 0.400 244 P HA 0.431 nan 4.420 nan 0.000 0.289 244 P C -0.063 177.217 177.300 -0.034 0.000 1.299 244 P CA -0.138 62.901 63.100 -0.103 0.000 0.766 244 P CB 0.769 32.468 31.700 -0.002 0.000 1.226 245 A N 0.489 123.318 122.820 0.015 0.000 2.354 245 A HA 0.450 4.770 4.320 0.001 0.000 0.281 245 A C -2.158 175.453 177.584 0.044 0.000 1.174 245 A CA -1.543 50.515 52.037 0.036 0.000 0.828 245 A CB -1.313 17.681 19.000 -0.010 0.000 1.099 245 A HN 0.338 nan 8.150 nan 0.000 0.516 246 P HA 0.155 nan 4.420 nan 0.000 0.263 246 P C 1.244 178.535 177.300 -0.016 0.000 1.175 246 P CA 2.101 65.202 63.100 0.002 0.000 0.761 246 P CB 0.612 32.272 31.700 -0.067 0.000 0.794 247 G N 2.954 111.739 108.800 -0.024 0.000 2.320 247 G HA2 -0.236 3.724 3.960 0.001 0.000 0.242 247 G HA3 -0.236 3.724 3.960 0.001 0.000 0.242 247 G C 0.260 175.170 174.900 0.017 0.000 1.033 247 G CA -0.376 44.723 45.100 -0.001 0.000 0.620 247 G HN 0.500 nan 8.290 nan 0.000 0.517 248 I N 3.562 124.126 120.570 -0.010 0.000 2.505 248 I HA 0.242 4.412 4.170 0.001 0.000 0.287 248 I C 1.598 177.724 176.117 0.014 0.000 1.104 248 I CA 0.653 61.941 61.300 -0.020 0.000 1.387 248 I CB -0.213 37.744 38.000 -0.072 0.000 1.404 248 I HN 0.437 nan 8.210 nan 0.000 0.528 249 T N 4.857 119.431 114.554 0.033 0.000 2.828 249 T HA 0.259 4.609 4.350 0.001 0.000 0.290 249 T C -1.675 173.047 174.700 0.036 0.000 1.019 249 T CA -1.414 60.705 62.100 0.033 0.000 1.031 249 T CB 1.126 70.015 68.868 0.035 0.000 1.001 249 T HN 0.305 nan 8.240 nan 0.000 0.531 250 P HA -0.074 nan 4.420 nan 0.000 0.216 250 P C 1.485 178.813 177.300 0.047 0.000 1.150 250 P CA 0.896 64.023 63.100 0.046 0.000 0.837 250 P CB 0.100 31.828 31.700 0.045 0.000 0.786 251 E N -0.613 119.613 120.200 0.042 0.000 2.106 251 E HA -0.143 4.207 4.350 0.001 0.000 0.192 251 E C 1.738 178.373 176.600 0.058 0.000 0.984 251 E CA 0.760 57.187 56.400 0.045 0.000 0.806 251 E CB -1.142 28.579 29.700 0.035 0.000 0.750 251 E HN -0.004 nan 8.360 nan 0.000 0.458 252 L N 0.883 122.147 121.223 0.068 0.000 2.056 252 L HA -0.005 4.336 4.340 0.001 0.000 0.207 252 L C 2.416 179.318 176.870 0.052 0.000 1.078 252 L CA 1.898 56.811 54.840 0.121 0.000 0.749 252 L CB -0.648 41.510 42.059 0.165 0.000 0.901 252 L HN 0.101 nan 8.230 nan 0.000 0.433 253 R N -0.526 119.969 120.500 -0.009 0.000 2.083 253 R HA -0.228 4.112 4.340 0.001 0.000 0.237 253 R C 2.545 178.703 176.300 -0.237 0.000 1.137 253 R CA 1.891 57.924 56.100 -0.111 0.000 0.951 253 R CB -0.343 29.949 30.300 -0.013 0.000 0.851 253 R HN 0.340 nan 8.270 nan 0.000 0.434 254 R N -0.657 119.781 120.500 -0.103 0.000 2.096 254 R HA -0.209 4.131 4.340 0.001 0.000 0.235 254 R C 2.208 178.353 176.300 -0.259 0.000 1.127 254 R CA 1.804 57.827 56.100 -0.129 0.000 0.968 254 R CB -0.446 29.873 30.300 0.033 0.000 0.861 254 R HN 0.416 nan 8.270 nan 0.000 0.440 255 Y N 0.339 120.488 120.300 -0.251 0.000 2.114 255 Y HA -0.218 4.332 4.550 0.001 0.000 0.284 255 Y C 1.950 177.598 175.900 -0.419 0.000 1.143 255 Y CA 1.747 59.692 58.100 -0.259 0.000 1.135 255 Y CB -0.284 38.076 38.460 -0.165 0.000 0.980 255 Y HN 0.079 nan 8.280 nan 0.000 0.499 256 I N 1.032 121.078 120.570 -0.873 0.000 2.546 256 I HA -0.012 4.158 4.170 0.001 0.000 0.255 256 I C 2.370 177.881 176.117 -1.011 0.000 1.163 256 I CA 1.565 62.148 61.300 -1.195 0.000 1.457 256 I CB -0.934 36.115 38.000 -1.585 0.000 1.092 256 I HN 0.379 nan 8.210 nan 0.000 0.434 257 G N -0.299 107.868 108.800 -1.054 0.000 2.404 257 G HA2 -0.213 3.748 3.960 0.001 0.000 0.215 257 G HA3 -0.213 3.748 3.960 0.001 0.000 0.215 257 G C 1.536 175.762 174.900 -1.124 0.000 1.174 257 G CA 0.627 44.813 45.100 -1.525 0.000 0.780 257 G HN 0.473 nan 8.290 nan 0.000 0.537 258 E N -0.104 119.599 120.200 -0.829 0.000 2.204 258 E HA -0.083 4.267 4.350 0.001 0.000 0.195 258 E C 2.697 179.080 176.600 -0.361 0.000 0.990 258 E CA 0.370 56.566 56.400 -0.340 0.000 0.821 258 E CB 0.006 29.585 29.700 -0.200 0.000 0.750 258 E HN 0.132 nan 8.360 nan 0.000 0.477 259 R N 0.307 120.480 120.500 -0.546 0.000 2.075 259 R HA -0.056 4.284 4.340 0.001 0.000 0.232 259 R C 2.211 178.229 176.300 -0.470 0.000 1.126 259 R CA 1.130 56.934 56.100 -0.493 0.000 0.963 259 R CB -0.662 29.250 30.300 -0.647 0.000 0.858 259 R HN 0.205 nan 8.270 nan 0.000 0.435 260 C N -0.725 118.215 119.300 -0.601 0.000 2.440 260 C HA 0.091 4.551 4.460 0.001 0.000 0.278 260 C C 2.687 177.394 174.990 -0.472 0.000 1.295 260 C CA 0.506 59.001 59.018 -0.871 0.000 1.738 260 C CB -1.057 26.084 27.740 -0.998 0.000 1.987 260 C HN 0.587 nan 8.230 nan 0.000 0.492 261 A N 1.035 123.720 122.820 -0.224 0.000 1.902 261 A HA -0.223 4.097 4.320 0.001 0.000 0.217 261 A C 2.083 179.639 177.584 -0.047 0.000 1.181 261 A CA 2.308 54.322 52.037 -0.037 0.000 0.623 261 A CB -0.498 18.547 19.000 0.075 0.000 0.818 261 A HN 0.536 nan 8.150 nan 0.000 0.443 262 K N 0.383 120.722 120.400 -0.102 0.000 2.097 262 K HA 0.022 4.342 4.320 0.001 0.000 0.206 262 K C 1.934 178.498 176.600 -0.060 0.000 1.049 262 K CA 1.705 57.947 56.287 -0.075 0.000 0.933 262 K CB -0.612 31.825 32.500 -0.105 0.000 0.717 262 K HN 0.305 nan 8.250 nan 0.000 0.442 263 A N 0.283 123.036 122.820 -0.111 0.000 1.877 263 A HA -0.179 4.141 4.320 0.001 0.000 0.216 263 A C 2.524 180.152 177.584 0.072 0.000 1.186 263 A CA 1.779 53.788 52.037 -0.047 0.000 0.620 263 A CB -1.229 17.701 19.000 -0.117 0.000 0.822 263 A HN 0.534 nan 8.150 nan 0.000 0.443 264 C N -1.217 118.150 119.300 0.112 0.000 2.413 264 C HA -0.087 4.373 4.460 0.001 0.000 0.276 264 C C 2.744 177.830 174.990 0.159 0.000 1.248 264 C CA 1.129 60.267 59.018 0.201 0.000 1.742 264 C CB -1.340 26.529 27.740 0.216 0.000 2.017 264 C HN 0.467 nan 8.230 nan 0.000 0.481 265 V N 1.152 121.119 119.914 0.089 0.000 2.295 265 V HA -0.196 3.924 4.120 0.001 0.000 0.246 265 V C 2.096 178.221 176.094 0.052 0.000 1.049 265 V CA 2.297 64.635 62.300 0.063 0.000 1.024 265 V CB -0.725 31.117 31.823 0.032 0.000 0.648 265 V HN 0.452 nan 8.190 nan 0.000 0.447 266 D N 0.430 120.853 120.400 0.038 0.000 2.117 266 D HA -0.110 4.530 4.640 0.001 0.000 0.197 266 D C 1.822 178.147 176.300 0.042 0.000 0.987 266 D CA 1.716 55.732 54.000 0.027 0.000 0.829 266 D CB -0.226 40.578 40.800 0.007 0.000 0.961 266 D HN 0.656 nan 8.370 nan 0.000 0.460 267 I N -3.386 117.227 120.570 0.072 0.000 3.812 267 I HA 0.312 4.482 4.170 0.001 0.000 0.320 267 I C 1.041 177.220 176.117 0.104 0.000 1.276 267 I CA 0.304 61.656 61.300 0.086 0.000 1.164 267 I CB -0.252 37.814 38.000 0.111 0.000 1.009 267 I HN -0.027 nan 8.210 nan 0.000 0.431 268 G N 1.684 110.542 108.800 0.097 0.000 2.305 268 G HA2 -0.366 3.594 3.960 0.001 0.000 0.287 268 G HA3 -0.366 3.594 3.960 0.001 0.000 0.287 268 G C 0.039 174.994 174.900 0.092 0.000 1.036 268 G CA 0.368 45.514 45.100 0.077 0.000 0.887 268 G HN 0.705 nan 8.290 nan 0.000 0.505 269 Y N 0.198 120.524 120.300 0.043 0.000 2.597 269 Y HA 0.373 4.923 4.550 0.001 0.000 0.336 269 Y C 1.007 176.932 175.900 0.041 0.000 1.216 269 Y CA 0.309 58.438 58.100 0.048 0.000 1.463 269 Y CB 0.497 39.003 38.460 0.076 0.000 1.303 269 Y HN 0.360 nan 8.280 nan 0.000 0.576 270 R N 4.160 124.245 120.500 -0.691 0.000 2.502 270 R HA 0.535 4.875 4.340 0.001 0.000 0.300 270 R C -0.261 175.769 176.300 -0.450 0.000 0.984 270 R CA 0.293 56.163 56.100 -0.383 0.000 0.882 270 R CB 0.910 31.070 30.300 -0.234 0.000 1.180 270 R HN 1.030 nan 8.270 nan 0.000 0.444 271 G N 2.120 110.833 108.800 -0.145 0.000 2.472 271 G HA2 -0.012 3.949 3.960 0.001 0.000 0.205 271 G HA3 -0.012 3.949 3.960 0.001 0.000 0.205 271 G C -1.099 173.900 174.900 0.164 0.000 1.270 271 G CA -0.417 44.656 45.100 -0.046 0.000 0.974 271 G HN 0.830 nan 8.290 nan 0.000 0.542 272 A N -0.463 122.450 122.820 0.156 0.000 2.316 272 A HA 0.991 5.311 4.320 0.001 0.000 0.284 272 A C 0.786 178.567 177.584 0.328 0.000 1.115 272 A CA 1.059 53.225 52.037 0.215 0.000 0.812 272 A CB 1.142 20.204 19.000 0.104 0.000 1.064 272 A HN 2.576 nan 8.150 nan 0.000 0.489 273 G N -0.600 108.324 108.800 0.206 0.000 2.660 273 G HA2 0.607 4.568 3.960 0.001 0.000 0.290 273 G HA3 0.607 4.568 3.960 0.001 0.000 0.290 273 G C -1.165 173.713 174.900 -0.037 0.000 1.432 273 G CA -0.335 44.772 45.100 0.012 0.000 0.807 273 G HN 0.822 nan 8.290 nan 0.000 0.485 274 T N 0.270 114.748 114.554 -0.127 0.000 2.916 274 T HA 0.529 4.879 4.350 0.001 0.000 0.298 274 T C -1.496 173.116 174.700 -0.147 0.000 1.031 274 T CA -0.205 61.886 62.100 -0.016 0.000 0.993 274 T CB 1.256 70.152 68.868 0.048 0.000 1.045 274 T HN 0.293 nan 8.240 nan 0.000 0.454 275 F N 2.441 122.410 119.950 0.031 0.000 2.361 275 F HA 0.347 4.875 4.527 0.001 0.000 0.364 275 F C 0.968 176.707 175.800 -0.102 0.000 1.120 275 F CA -0.825 57.166 58.000 -0.014 0.000 1.102 275 F CB 0.909 39.991 39.000 0.136 0.000 1.183 275 F HN 0.420 nan 8.300 nan 0.000 0.476 276 E N 4.149 124.222 120.200 -0.212 0.000 2.200 276 E HA 0.415 4.766 4.350 0.001 0.000 0.283 276 E C -1.113 175.217 176.600 -0.449 0.000 1.015 276 E CA -0.348 55.910 56.400 -0.237 0.000 0.819 276 E CB 1.262 30.841 29.700 -0.200 0.000 1.081 276 E HN 0.321 nan 8.360 nan 0.000 0.397 277 F N 1.372 121.249 119.950 -0.122 0.000 2.579 277 F HA 0.413 4.941 4.527 0.001 0.000 0.324 277 F C -0.034 175.764 175.800 -0.004 0.000 1.058 277 F CA -0.979 57.049 58.000 0.046 0.000 0.944 277 F CB 1.109 40.312 39.000 0.338 0.000 1.245 277 F HN 0.172 nan 8.300 nan 0.000 0.477 278 L N 2.098 123.522 121.223 0.336 0.000 2.289 278 L HA 0.389 4.730 4.340 0.001 0.000 0.285 278 L C -1.212 175.883 176.870 0.375 0.000 1.049 278 L CA -0.535 54.448 54.840 0.239 0.000 0.804 278 L CB 1.403 43.554 42.059 0.152 0.000 1.195 278 L HN 0.546 nan 8.230 nan 0.000 0.428 279 F N 3.887 123.868 119.950 0.051 0.000 2.403 279 F HA 0.434 4.961 4.527 0.001 0.000 0.355 279 F C -0.191 175.567 175.800 -0.070 0.000 1.119 279 F CA -0.262 57.667 58.000 -0.119 0.000 1.007 279 F CB 1.085 39.898 39.000 -0.311 0.000 1.194 279 F HN 0.458 nan 8.300 nan 0.000 0.443 280 E N 4.951 124.848 120.200 -0.506 0.000 2.331 280 E HA 0.247 4.598 4.350 0.001 0.000 0.275 280 E C -0.626 175.702 176.600 -0.454 0.000 0.895 280 E CA -0.637 55.520 56.400 -0.405 0.000 0.753 280 E CB 1.151 30.756 29.700 -0.159 0.000 1.216 280 E HN 0.707 nan 8.360 nan 0.000 0.434 281 N N 2.539 121.006 118.700 -0.387 0.000 2.721 281 N HA -0.246 4.494 4.740 0.001 0.000 0.249 281 N C 0.542 175.832 175.510 -0.367 0.000 1.072 281 N CA 1.393 54.276 53.050 -0.278 0.000 0.710 281 N CB -1.150 37.253 38.487 -0.140 0.000 0.993 281 N HN 0.978 nan 8.380 nan 0.000 0.547 282 G N -1.121 107.270 108.800 -0.683 0.000 2.168 282 G HA2 -0.325 3.636 3.960 0.001 0.000 0.263 282 G HA3 -0.325 3.636 3.960 0.001 0.000 0.263 282 G C -0.176 174.448 174.900 -0.459 0.000 0.977 282 G CA 0.859 45.637 45.100 -0.537 0.000 0.659 282 G HN 0.488 nan 8.290 nan 0.000 0.533 283 E N -0.533 119.307 120.200 -0.600 0.000 2.191 283 E HA 0.659 5.009 4.350 0.001 0.000 0.274 283 E C -0.459 175.860 176.600 -0.469 0.000 0.948 283 E CA -0.772 55.389 56.400 -0.397 0.000 0.802 283 E CB 1.117 30.618 29.700 -0.333 0.000 1.137 283 E HN 0.141 nan 8.360 nan 0.000 0.397 284 F N 1.402 121.223 119.950 -0.214 0.000 2.399 284 F HA 0.340 4.867 4.527 0.001 0.000 0.334 284 F C -0.249 175.386 175.800 -0.274 0.000 1.097 284 F CA -0.536 57.422 58.000 -0.070 0.000 1.076 284 F CB 0.893 39.750 39.000 -0.237 0.000 1.162 284 F HN 0.289 nan 8.300 nan 0.000 0.495 285 Y N 3.033 123.682 120.300 0.582 0.000 2.322 285 Y HA 0.256 4.806 4.550 0.001 0.000 0.324 285 Y C -0.414 175.817 175.900 0.551 0.000 1.027 285 Y CA -1.281 57.107 58.100 0.479 0.000 1.179 285 Y CB 1.088 39.693 38.460 0.242 0.000 1.136 285 Y HN 0.485 nan 8.280 nan 0.000 0.449 286 F N 4.543 124.771 119.950 0.464 0.000 2.578 286 F HA 0.110 4.637 4.527 0.001 0.000 0.376 286 F C 0.132 175.914 175.800 -0.030 0.000 1.085 286 F CA 0.450 58.392 58.000 -0.096 0.000 1.260 286 F CB 0.561 39.495 39.000 -0.109 0.000 1.095 286 F HN 0.466 nan 8.300 nan 0.000 0.573 287 I N 2.996 122.978 120.570 -0.980 0.000 3.366 287 I HA 0.146 4.317 4.170 0.001 0.000 0.267 287 I C -0.009 175.502 176.117 -1.010 0.000 1.149 287 I CA 0.728 61.626 61.300 -0.669 0.000 1.436 287 I CB -0.619 37.160 38.000 -0.368 0.000 1.379 287 I HN 0.735 nan 8.210 nan 0.000 0.460 288 E N 0.596 119.942 120.200 -1.423 0.000 2.409 288 E HA 0.377 4.728 4.350 0.001 0.000 0.280 288 E C -1.194 175.037 176.600 -0.614 0.000 1.079 288 E CA -0.721 55.158 56.400 -0.868 0.000 0.840 288 E CB 2.231 31.727 29.700 -0.341 0.000 1.309 288 E HN -0.002 nan 8.360 nan 0.000 0.447 289 M N 2.549 122.044 119.600 -0.176 0.000 2.253 289 M HA 0.428 4.909 4.480 0.001 0.000 0.314 289 M C -1.680 174.508 176.300 -0.186 0.000 1.019 289 M CA -0.756 54.389 55.300 -0.259 0.000 0.932 289 M CB 1.468 33.811 32.600 -0.428 0.000 1.606 289 M HN 0.487 nan 8.290 nan 0.000 0.430 290 N N 3.787 122.387 118.700 -0.167 0.000 2.415 290 N HA 0.143 4.884 4.740 0.001 0.000 0.246 290 N C -0.174 175.322 175.510 -0.024 0.000 1.078 290 N CA -0.003 53.011 53.050 -0.060 0.000 0.942 290 N CB 1.169 39.641 38.487 -0.026 0.000 1.140 290 N HN 0.611 nan 8.380 nan 0.000 0.501 291 T N 0.644 115.234 114.554 0.060 0.000 4.508 291 T HA 0.292 4.642 4.350 0.001 0.000 0.232 291 T C 0.515 175.342 174.700 0.212 0.000 1.027 291 T CA -0.496 61.733 62.100 0.217 0.000 0.999 291 T CB -0.628 68.401 68.868 0.267 0.000 1.402 291 T HN 0.671 nan 8.240 nan 0.000 1.003 292 R N -0.950 119.648 120.500 0.165 0.000 2.855 292 R HA 0.610 4.950 4.340 0.001 0.000 0.274 292 R C -1.523 174.847 176.300 0.117 0.000 0.997 292 R CA -1.254 54.925 56.100 0.133 0.000 0.856 292 R CB 0.247 30.635 30.300 0.147 0.000 1.378 292 R HN 0.140 nan 8.270 nan 0.000 0.462 293 I N 1.345 121.984 120.570 0.115 0.000 2.638 293 I HA 0.119 4.289 4.170 0.001 0.000 0.286 293 I C -0.293 175.909 176.117 0.142 0.000 1.088 293 I CA 0.102 61.454 61.300 0.086 0.000 1.397 293 I CB 1.020 39.031 38.000 0.018 0.000 1.414 293 I HN 0.371 nan 8.210 nan 0.000 0.566 294 Q N 4.813 124.692 119.800 0.131 0.000 2.230 294 Q HA 0.221 4.562 4.340 0.001 0.000 0.248 294 Q C 1.077 177.196 176.000 0.198 0.000 0.915 294 Q CA -0.379 55.496 55.803 0.121 0.000 0.900 294 Q CB 1.811 30.616 28.738 0.112 0.000 1.229 294 Q HN 0.658 nan 8.270 nan 0.000 0.439 295 V N 1.865 121.732 119.914 -0.078 0.000 2.255 295 V HA -0.253 3.867 4.120 0.001 0.000 0.247 295 V C 1.741 177.857 176.094 0.037 0.000 1.051 295 V CA 2.307 64.492 62.300 -0.192 0.000 1.018 295 V CB -0.378 31.150 31.823 -0.491 0.000 0.641 295 V HN 0.792 nan 8.190 nan 0.000 0.445 296 E N 1.114 121.310 120.200 -0.006 0.000 2.365 296 E HA -0.146 4.204 4.350 0.001 0.000 0.188 296 E C 1.589 178.182 176.600 -0.011 0.000 1.102 296 E CA 0.256 56.639 56.400 -0.027 0.000 0.927 296 E CB -0.844 28.843 29.700 -0.021 0.000 1.073 296 E HN 0.907 nan 8.360 nan 0.000 0.467 297 H N 0.480 119.571 119.070 0.036 0.000 2.422 297 H HA 0.011 4.568 4.556 0.001 0.000 0.298 297 H C -1.002 174.352 175.328 0.042 0.000 1.098 297 H CA 0.893 56.970 56.048 0.048 0.000 1.315 297 H CB -1.756 28.043 29.762 0.062 0.000 1.382 297 H HN 0.172 nan 8.280 nan 0.000 0.523 298 P HA -0.140 nan 4.420 nan 0.000 0.216 298 P C 2.173 179.432 177.300 -0.070 0.000 1.150 298 P CA 1.289 64.226 63.100 -0.271 0.000 0.843 298 P CB -0.074 31.450 31.700 -0.294 0.000 0.787 299 V N -0.622 119.267 119.914 -0.042 0.000 2.324 299 V HA -0.279 3.841 4.120 0.001 0.000 0.250 299 V C 2.244 178.357 176.094 0.030 0.000 1.060 299 V CA 2.622 64.928 62.300 0.011 0.000 1.042 299 V CB -1.718 30.110 31.823 0.008 0.000 0.650 299 V HN 0.228 nan 8.190 nan 0.000 0.450 300 T N -0.832 113.746 114.554 0.039 0.000 2.812 300 T HA -0.142 4.208 4.350 0.001 0.000 0.264 300 T C 1.806 176.539 174.700 0.055 0.000 1.042 300 T CA 1.339 63.473 62.100 0.057 0.000 1.140 300 T CB -0.201 68.716 68.868 0.083 0.000 0.870 300 T HN 0.576 nan 8.240 nan 0.000 0.445 301 E N 1.004 121.236 120.200 0.055 0.000 2.085 301 E HA -0.109 4.241 4.350 0.001 0.000 0.194 301 E C 2.168 178.772 176.600 0.008 0.000 0.994 301 E CA 1.140 57.565 56.400 0.042 0.000 0.801 301 E CB -0.212 29.520 29.700 0.054 0.000 0.743 301 E HN 0.504 nan 8.360 nan 0.000 0.453 302 M N 0.266 119.872 119.600 0.009 0.000 2.319 302 M HA -0.042 4.438 4.480 0.001 0.000 0.265 302 M C 2.343 178.641 176.300 -0.004 0.000 1.068 302 M CA 1.005 56.281 55.300 -0.039 0.000 1.118 302 M CB -0.265 32.355 32.600 0.034 0.000 1.395 302 M HN 0.196 nan 8.290 nan 0.000 0.435 303 I N -2.592 118.046 120.570 0.113 0.000 3.883 303 I HA 0.098 4.269 4.170 0.001 0.000 0.326 303 I C 1.412 177.588 176.117 0.098 0.000 1.283 303 I CA 0.567 61.973 61.300 0.177 0.000 1.161 303 I CB -0.276 37.810 38.000 0.143 0.000 1.012 303 I HN 0.131 nan 8.210 nan 0.000 0.421 304 T N -4.038 110.545 114.554 0.047 0.000 2.969 304 T HA 0.382 4.732 4.350 0.001 0.000 0.258 304 T C 1.537 176.240 174.700 0.005 0.000 0.962 304 T CA 0.474 62.592 62.100 0.029 0.000 0.903 304 T CB 0.444 69.322 68.868 0.016 0.000 1.177 304 T HN 0.540 nan 8.240 nan 0.000 0.511 305 G N 1.275 110.068 108.800 -0.013 0.000 2.153 305 G HA2 -0.203 3.757 3.960 0.001 0.000 0.252 305 G HA3 -0.203 3.757 3.960 0.001 0.000 0.252 305 G C -0.009 174.882 174.900 -0.016 0.000 0.994 305 G CA 0.162 45.245 45.100 -0.029 0.000 0.698 305 G HN 0.769 nan 8.290 nan 0.000 0.521 306 V N 0.630 120.542 119.914 -0.003 0.000 2.472 306 V HA 0.503 4.623 4.120 0.001 0.000 0.290 306 V C 0.007 176.114 176.094 0.022 0.000 1.037 306 V CA -0.667 61.635 62.300 0.004 0.000 0.908 306 V CB 1.929 33.754 31.823 0.004 0.000 0.985 306 V HN 0.300 nan 8.190 nan 0.000 0.454 307 D N 3.893 124.305 120.400 0.019 0.000 2.456 307 D HA 0.258 4.898 4.640 0.001 0.000 0.219 307 D C 0.997 177.317 176.300 0.034 0.000 1.126 307 D CA -0.100 53.918 54.000 0.031 0.000 0.890 307 D CB 1.071 41.878 40.800 0.012 0.000 1.025 307 D HN 0.437 nan 8.370 nan 0.000 0.511 308 L N 3.452 124.713 121.223 0.062 0.000 2.079 308 L HA -0.191 4.149 4.340 0.001 0.000 0.210 308 L C 2.121 178.990 176.870 -0.001 0.000 1.081 308 L CA 0.620 55.484 54.840 0.040 0.000 0.752 308 L CB -0.203 41.896 42.059 0.066 0.000 0.896 308 L HN 0.512 nan 8.230 nan 0.000 0.433 309 I N 0.024 120.578 120.570 -0.026 0.000 2.252 309 I HA -0.243 3.928 4.170 0.001 0.000 0.245 309 I C 2.491 178.602 176.117 -0.010 0.000 1.102 309 I CA 1.519 62.798 61.300 -0.036 0.000 1.385 309 I CB -0.911 37.037 38.000 -0.086 0.000 1.064 309 I HN 0.308 nan 8.210 nan 0.000 0.414 310 K N 0.421 120.811 120.400 -0.017 0.000 2.147 310 K HA -0.160 4.160 4.320 0.001 0.000 0.205 310 K C 1.874 178.469 176.600 -0.008 0.000 1.049 310 K CA 0.847 57.117 56.287 -0.028 0.000 0.936 310 K CB -0.013 32.470 32.500 -0.029 0.000 0.722 310 K HN 0.291 nan 8.250 nan 0.000 0.446 311 E N 1.247 121.450 120.200 0.005 0.000 2.106 311 E HA -0.154 4.196 4.350 0.001 0.000 0.192 311 E C 2.039 178.646 176.600 0.012 0.000 0.984 311 E CA 0.992 57.400 56.400 0.013 0.000 0.806 311 E CB -0.062 29.648 29.700 0.017 0.000 0.750 311 E HN 0.368 nan 8.360 nan 0.000 0.458 312 Q N 0.216 120.020 119.800 0.008 0.000 2.096 312 Q HA -0.122 4.218 4.340 0.001 0.000 0.204 312 Q C 2.438 178.425 176.000 -0.021 0.000 0.982 312 Q CA 1.072 56.867 55.803 -0.014 0.000 0.850 312 Q CB -0.142 28.592 28.738 -0.007 0.000 0.901 312 Q HN 0.274 nan 8.270 nan 0.000 0.422 313 L N -0.144 121.081 121.223 0.003 0.000 2.027 313 L HA -0.182 4.158 4.340 0.001 0.000 0.206 313 L C 2.493 179.419 176.870 0.094 0.000 1.074 313 L CA 1.185 56.038 54.840 0.022 0.000 0.745 313 L CB -0.395 41.633 42.059 -0.052 0.000 0.898 313 L HN 0.147 nan 8.230 nan 0.000 0.433 314 R N 0.146 120.698 120.500 0.086 0.000 2.081 314 R HA -0.122 4.218 4.340 0.001 0.000 0.235 314 R C 2.301 178.634 176.300 0.056 0.000 1.131 314 R CA 1.352 57.522 56.100 0.117 0.000 0.960 314 R CB -0.406 29.942 30.300 0.081 0.000 0.856 314 R HN 0.312 nan 8.270 nan 0.000 0.436 315 I N 0.571 121.156 120.570 0.024 0.000 2.179 315 I HA -0.246 3.924 4.170 0.001 0.000 0.242 315 I C 2.446 178.556 176.117 -0.012 0.000 1.088 315 I CA 1.261 62.561 61.300 -0.000 0.000 1.357 315 I CB -0.334 37.659 38.000 -0.012 0.000 1.051 315 I HN 0.191 nan 8.210 nan 0.000 0.409 316 A N 0.428 123.237 122.820 -0.018 0.000 2.125 316 A HA 0.028 4.348 4.320 0.001 0.000 0.219 316 A C 2.169 179.753 177.584 -0.000 0.000 1.156 316 A CA 1.445 53.465 52.037 -0.028 0.000 0.671 316 A CB -0.557 18.409 19.000 -0.057 0.000 0.794 316 A HN 0.431 nan 8.150 nan 0.000 0.459 317 A N -1.759 121.073 122.820 0.020 0.000 2.337 317 A HA 0.449 4.769 4.320 0.001 0.000 0.227 317 A C 1.659 179.223 177.584 -0.032 0.000 1.259 317 A CA 0.967 52.998 52.037 -0.010 0.000 0.870 317 A CB -0.894 18.090 19.000 -0.027 0.000 0.927 317 A HN 1.748 nan 8.150 nan 0.000 0.497 318 G N -0.897 107.890 108.800 -0.020 0.000 2.159 318 G HA2 -0.271 3.689 3.960 0.001 0.000 0.256 318 G HA3 -0.271 3.689 3.960 0.001 0.000 0.256 318 G C 0.065 174.953 174.900 -0.019 0.000 0.977 318 G CA 0.350 45.436 45.100 -0.023 0.000 0.652 318 G HN 0.650 nan 8.290 nan 0.000 0.531 319 Q N 1.507 121.299 119.800 -0.013 0.000 2.288 319 Q HA 0.401 4.741 4.340 0.001 0.000 0.258 319 Q C -1.950 174.048 176.000 -0.003 0.000 0.957 319 Q CA -1.617 54.182 55.803 -0.007 0.000 0.919 319 Q CB 1.550 30.290 28.738 0.003 0.000 1.185 319 Q HN 0.351 nan 8.270 nan 0.000 0.408 320 P HA 0.004 nan 4.420 nan 0.000 0.273 320 P C -0.432 176.868 177.300 0.000 0.000 1.250 320 P CA -0.229 62.870 63.100 -0.002 0.000 0.793 320 P CB 0.812 32.510 31.700 -0.004 0.000 1.011 321 L N 1.129 122.353 121.223 0.001 0.000 2.490 321 L HA 0.001 4.342 4.340 0.001 0.000 0.274 321 L C 1.767 178.633 176.870 -0.008 0.000 1.201 321 L CA 0.265 55.104 54.840 -0.001 0.000 0.869 321 L CB 0.034 42.092 42.059 -0.002 0.000 1.123 321 L HN 0.503 nan 8.230 nan 0.000 0.484 322 S N 1.995 117.689 115.700 -0.010 0.000 2.524 322 S HA 0.233 4.703 4.470 0.001 0.000 0.215 322 S C 0.456 175.041 174.600 -0.025 0.000 0.986 322 S CA -0.369 57.823 58.200 -0.014 0.000 0.911 322 S CB 0.263 63.458 63.200 -0.008 0.000 0.805 322 S HN 0.363 nan 8.310 nan 0.000 0.501 323 I N 2.619 123.169 120.570 -0.032 0.000 2.331 323 I HA 0.523 4.694 4.170 0.001 0.000 0.292 323 I C -0.225 175.852 176.117 -0.066 0.000 0.998 323 I CA -0.551 60.717 61.300 -0.054 0.000 1.267 323 I CB 1.044 39.007 38.000 -0.062 0.000 1.386 323 I HN -0.015 nan 8.210 nan 0.000 0.476 324 K N 3.594 123.946 120.400 -0.079 0.000 2.110 324 K HA 0.244 4.565 4.320 0.001 0.000 0.263 324 K C 0.799 177.321 176.600 -0.130 0.000 0.975 324 K CA -0.516 55.721 56.287 -0.083 0.000 0.895 324 K CB 0.985 33.447 32.500 -0.064 0.000 1.060 324 K HN 0.331 nan 8.250 nan 0.000 0.448 325 Q N 1.674 121.390 119.800 -0.139 0.000 2.173 325 Q HA -0.255 4.085 4.340 0.001 0.000 0.208 325 Q C 0.837 176.712 176.000 -0.208 0.000 0.989 325 Q CA 2.222 57.895 55.803 -0.217 0.000 0.872 325 Q CB -0.018 28.606 28.738 -0.190 0.000 0.909 325 Q HN 0.663 nan 8.270 nan 0.000 0.420 326 E N -0.388 119.731 120.200 -0.136 0.000 2.418 326 E HA -0.135 4.215 4.350 0.001 0.000 0.197 326 E C 1.057 177.526 176.600 -0.218 0.000 1.026 326 E CA 1.369 57.704 56.400 -0.109 0.000 0.862 326 E CB -0.190 29.488 29.700 -0.037 0.000 0.799 326 E HN 0.554 nan 8.360 nan 0.000 0.518 327 E N 0.457 120.498 120.200 -0.266 0.000 2.474 327 E HA 0.086 4.437 4.350 0.001 0.000 0.194 327 E C -0.349 175.918 176.600 -0.556 0.000 1.041 327 E CA 0.008 56.194 56.400 -0.357 0.000 0.874 327 E CB 0.649 30.241 29.700 -0.179 0.000 0.914 327 E HN 0.059 nan 8.360 nan 0.000 0.498 328 V N 2.352 121.980 119.914 -0.476 0.000 2.405 328 V HA 0.082 4.202 4.120 0.001 0.000 0.264 328 V C -0.494 175.382 176.094 -0.363 0.000 1.048 328 V CA 0.105 62.187 62.300 -0.363 0.000 0.966 328 V CB -0.092 31.559 31.823 -0.287 0.000 1.015 328 V HN 0.190 nan 8.190 nan 0.000 0.477 329 H N 2.342 121.395 119.070 -0.029 0.000 2.547 329 H HA 0.510 5.067 4.556 0.001 0.000 0.342 329 H C -0.559 174.778 175.328 0.015 0.000 1.048 329 H CA -0.965 55.081 56.048 -0.004 0.000 1.204 329 H CB 2.012 31.776 29.762 0.003 0.000 1.493 329 H HN 0.442 nan 8.280 nan 0.000 0.511 330 V N 4.791 124.800 119.914 0.158 0.000 2.488 330 V HA 0.275 4.395 4.120 0.001 0.000 0.277 330 V C 0.174 176.341 176.094 0.121 0.000 1.046 330 V CA -0.047 62.322 62.300 0.116 0.000 0.986 330 V CB 0.501 32.380 31.823 0.094 0.000 0.989 330 V HN 0.756 nan 8.190 nan 0.000 0.475 331 R N 3.449 124.035 120.500 0.144 0.000 2.574 331 R HA 0.648 4.988 4.340 0.001 0.000 0.288 331 R C 0.327 176.778 176.300 0.251 0.000 1.004 331 R CA -0.023 56.176 56.100 0.166 0.000 0.895 331 R CB 2.055 32.454 30.300 0.165 0.000 1.191 331 R HN 1.034 nan 8.270 nan 0.000 0.444 332 G N 1.448 110.330 108.800 0.137 0.000 2.642 332 G HA2 -0.289 3.671 3.960 0.001 0.000 0.231 332 G HA3 -0.289 3.671 3.960 0.001 0.000 0.231 332 G C -1.161 173.720 174.900 -0.032 0.000 1.338 332 G CA -0.116 44.956 45.100 -0.047 0.000 0.883 332 G HN 0.767 nan 8.290 nan 0.000 0.570 333 H N -0.785 118.073 119.070 -0.353 0.000 2.996 333 H HA 0.733 5.290 4.556 0.001 0.000 0.368 333 H C -0.094 175.142 175.328 -0.154 0.000 1.185 333 H CA 0.463 56.413 56.048 -0.163 0.000 1.160 333 H CB 1.691 31.364 29.762 -0.149 0.000 1.820 333 H HN 1.497 nan 8.280 nan 0.000 0.547 334 A N 3.224 125.960 122.820 -0.141 0.000 2.414 334 A HA 0.675 4.996 4.320 0.001 0.000 0.306 334 A C -1.518 176.104 177.584 0.063 0.000 1.054 334 A CA -0.566 51.504 52.037 0.054 0.000 0.724 334 A CB 1.416 20.491 19.000 0.124 0.000 1.267 334 A HN 0.428 nan 8.150 nan 0.000 0.418 335 V N 1.543 121.545 119.914 0.147 0.000 2.656 335 V HA 0.557 4.677 4.120 0.001 0.000 0.307 335 V C -0.257 175.915 176.094 0.129 0.000 1.051 335 V CA -0.500 61.905 62.300 0.175 0.000 0.893 335 V CB 1.797 33.774 31.823 0.257 0.000 0.999 335 V HN 0.973 nan 8.190 nan 0.000 0.426 336 E N 2.839 123.099 120.200 0.100 0.000 2.199 336 E HA 0.516 4.866 4.350 0.001 0.000 0.265 336 E C -1.600 175.029 176.600 0.048 0.000 0.882 336 E CA -0.430 56.010 56.400 0.067 0.000 0.759 336 E CB 1.682 31.399 29.700 0.029 0.000 1.148 336 E HN 0.749 nan 8.360 nan 0.000 0.412 337 C N 4.476 123.812 119.300 0.059 0.000 2.322 337 C HA 0.488 4.948 4.460 0.001 0.000 0.324 337 C C 0.079 175.098 174.990 0.049 0.000 1.284 337 C CA -0.741 58.301 59.018 0.039 0.000 1.606 337 C CB 0.385 28.159 27.740 0.057 0.000 2.251 337 C HN 0.702 nan 8.230 nan 0.000 0.502 338 R N 2.936 123.445 120.500 0.016 0.000 2.308 338 R HA 0.479 4.819 4.340 0.001 0.000 0.305 338 R C -0.593 175.734 176.300 0.045 0.000 1.053 338 R CA -0.345 55.763 56.100 0.013 0.000 0.957 338 R CB 0.632 30.920 30.300 -0.020 0.000 1.022 338 R HN 0.538 nan 8.270 nan 0.000 0.461 339 I N 3.322 123.934 120.570 0.069 0.000 2.312 339 I HA 0.236 4.406 4.170 0.001 0.000 0.290 339 I C -0.072 176.092 176.117 0.078 0.000 1.008 339 I CA -0.522 60.846 61.300 0.113 0.000 1.226 339 I CB 0.798 38.935 38.000 0.228 0.000 1.371 339 I HN 0.569 nan 8.210 nan 0.000 0.468 340 N N 3.843 122.587 118.700 0.074 0.000 2.314 340 N HA 0.650 5.391 4.740 0.001 0.000 0.304 340 N C -0.476 175.080 175.510 0.076 0.000 1.073 340 N CA -0.708 52.383 53.050 0.069 0.000 0.822 340 N CB 2.385 40.907 38.487 0.058 0.000 1.280 340 N HN 0.687 nan 8.380 nan 0.000 0.489 341 A N 1.993 124.858 122.820 0.075 0.000 2.621 341 A HA 0.236 4.556 4.320 0.001 0.000 0.329 341 A C -0.295 177.326 177.584 0.061 0.000 1.458 341 A CA -0.334 51.741 52.037 0.064 0.000 1.052 341 A CB -0.463 18.572 19.000 0.058 0.000 1.142 341 A HN 0.783 nan 8.150 nan 0.000 0.523 342 E N 1.155 121.395 120.200 0.066 0.000 2.343 342 E HA 0.487 4.837 4.350 0.001 0.000 0.270 342 E C -1.322 175.315 176.600 0.062 0.000 0.895 342 E CA -0.953 55.492 56.400 0.076 0.000 0.767 342 E CB 1.327 31.097 29.700 0.118 0.000 1.248 342 E HN 0.337 nan 8.360 nan 0.000 0.440 343 D N 2.186 122.611 120.400 0.041 0.000 2.312 343 D HA 0.112 4.752 4.640 0.001 0.000 0.252 343 D C -1.335 174.958 176.300 -0.013 0.000 1.150 343 D CA -2.307 51.690 54.000 -0.005 0.000 0.870 343 D CB 1.246 42.017 40.800 -0.048 0.000 1.153 343 D HN 0.186 nan 8.370 nan 0.000 0.457 344 P HA -0.089 nan 4.420 nan 0.000 0.228 344 P C 0.031 177.223 177.300 -0.180 0.000 1.151 344 P CA 0.947 64.048 63.100 0.002 0.000 0.770 344 P CB 0.305 32.018 31.700 0.021 0.000 0.786 345 N N -0.990 117.547 118.700 -0.272 0.000 2.414 345 N HA -0.019 4.721 4.740 0.001 0.000 0.177 345 N C 1.430 176.570 175.510 -0.616 0.000 1.062 345 N CA 1.088 53.911 53.050 -0.378 0.000 0.890 345 N CB 0.065 38.428 38.487 -0.206 0.000 1.070 345 N HN 0.172 nan 8.380 nan 0.000 0.454 346 T N -3.543 110.682 114.554 -0.548 0.000 2.959 346 T HA 0.201 4.552 4.350 0.001 0.000 0.254 346 T C 0.171 174.643 174.700 -0.380 0.000 1.003 346 T CA -0.229 61.594 62.100 -0.460 0.000 0.950 346 T CB 0.013 68.766 68.868 -0.191 0.000 1.090 346 T HN 0.045 nan 8.240 nan 0.000 0.503 347 F N 0.187 120.130 119.950 -0.011 0.000 2.871 347 F HA -0.160 4.368 4.527 0.000 0.000 0.326 347 F C 0.333 176.130 175.800 -0.005 0.000 0.675 347 F CA -0.544 57.450 58.000 -0.009 0.000 1.188 347 F CB -2.439 36.553 39.000 -0.013 0.000 1.567 347 F HN 0.295 nan 8.300 nan 0.000 0.325 348 L N 0.813 122.088 121.223 0.086 0.000 2.439 348 L HA 0.413 4.753 4.340 0.001 0.000 0.259 348 L C -1.662 175.235 176.870 0.044 0.000 1.129 348 L CA -1.878 52.995 54.840 0.055 0.000 0.803 348 L CB 0.386 42.450 42.059 0.008 0.000 1.161 348 L HN -0.366 nan 8.230 nan 0.000 0.462 349 P HA -0.065 nan 4.420 nan 0.000 0.264 349 P C -0.803 176.499 177.300 0.003 0.000 1.183 349 P CA 0.276 63.394 63.100 0.030 0.000 0.763 349 P CB 0.577 32.292 31.700 0.026 0.000 0.807 350 S N 4.231 119.937 115.700 0.009 0.000 2.516 350 S HA 0.389 4.860 4.470 0.001 0.000 0.268 350 S C -2.295 172.293 174.600 -0.020 0.000 1.251 350 S CA -1.923 56.271 58.200 -0.009 0.000 1.153 350 S CB -0.189 63.014 63.200 0.004 0.000 1.009 350 S HN 0.213 nan 8.310 nan 0.000 0.479 351 P HA 0.556 nan 4.420 nan 0.000 0.272 351 P C 0.295 177.556 177.300 -0.065 0.000 1.240 351 P CA 0.172 63.232 63.100 -0.066 0.000 0.791 351 P CB 0.786 32.422 31.700 -0.107 0.000 0.978 352 G N -0.433 108.315 108.800 -0.086 0.000 2.352 352 G HA2 0.167 4.127 3.960 0.001 0.000 0.302 352 G HA3 0.167 4.127 3.960 0.001 0.000 0.302 352 G C -1.832 173.001 174.900 -0.112 0.000 1.370 352 G CA -0.813 44.239 45.100 -0.080 0.000 0.918 352 G HN 0.670 nan 8.290 nan 0.000 0.610 353 K N 0.217 120.564 120.400 -0.088 0.000 2.183 353 K HA 0.604 4.924 4.320 0.001 0.000 0.274 353 K C 0.120 176.684 176.600 -0.060 0.000 1.009 353 K CA -0.757 55.469 56.287 -0.100 0.000 0.888 353 K CB 0.705 33.166 32.500 -0.065 0.000 1.078 353 K HN 0.383 nan 8.250 nan 0.000 0.459 354 I N 4.686 125.215 120.570 -0.068 0.000 2.436 354 I HA -0.035 4.135 4.170 0.001 0.000 0.289 354 I C 1.517 177.653 176.117 0.031 0.000 1.083 354 I CA -0.071 61.225 61.300 -0.007 0.000 1.372 354 I CB 1.214 39.203 38.000 -0.017 0.000 1.408 354 I HN 0.823 nan 8.210 nan 0.000 0.516 355 T N 2.988 117.572 114.554 0.050 0.000 3.051 355 T HA 0.109 4.459 4.350 0.001 0.000 0.255 355 T C 0.768 175.522 174.700 0.090 0.000 1.085 355 T CA 0.032 62.167 62.100 0.059 0.000 1.109 355 T CB 0.240 69.133 68.868 0.041 0.000 0.921 355 T HN 0.596 nan 8.240 nan 0.000 0.488 356 R N -0.417 120.156 120.500 0.121 0.000 2.536 356 R HA 0.567 4.908 4.340 0.001 0.000 0.269 356 R C -2.438 174.009 176.300 0.245 0.000 1.113 356 R CA -0.938 55.251 56.100 0.148 0.000 0.948 356 R CB 1.569 31.924 30.300 0.092 0.000 1.237 356 R HN 0.295 nan 8.270 nan 0.000 0.441 357 F N 3.665 123.663 119.950 0.079 0.000 2.573 357 F HA 0.438 4.965 4.527 0.000 0.000 0.316 357 F C -1.636 174.223 175.800 0.097 0.000 1.148 357 F CA -0.649 57.399 58.000 0.080 0.000 0.940 357 F CB 1.715 40.770 39.000 0.091 0.000 1.214 357 F HN 0.739 nan 8.300 nan 0.000 0.448 358 H N 4.474 123.049 119.070 -0.824 0.000 2.840 358 H HA 0.732 5.288 4.556 0.001 0.000 0.340 358 H C -1.329 173.378 175.328 -1.036 0.000 1.004 358 H CA -0.295 55.276 56.048 -0.795 0.000 1.288 358 H CB 1.698 31.240 29.762 -0.366 0.000 1.607 358 H HN 0.885 nan 8.280 nan 0.000 0.522 359 A N 5.982 127.918 122.820 -1.474 0.000 2.302 359 A HA 0.516 4.837 4.320 0.001 0.000 0.285 359 A C -2.360 174.740 177.584 -0.807 0.000 1.105 359 A CA -1.504 49.835 52.037 -1.163 0.000 0.816 359 A CB 0.097 18.511 19.000 -0.977 0.000 1.067 359 A HN 0.655 nan 8.150 nan 0.000 0.489 360 P HA 0.467 nan 4.420 nan 0.000 0.276 360 P C 0.041 177.210 177.300 -0.219 0.000 1.244 360 P CA 0.087 63.011 63.100 -0.294 0.000 0.801 360 P CB 1.489 33.063 31.700 -0.210 0.000 1.006 361 G N -1.493 107.241 108.800 -0.111 0.000 2.949 361 G HA2 0.733 4.693 3.960 0.001 0.000 0.285 361 G HA3 0.733 4.693 3.960 0.001 0.000 0.285 361 G C -0.503 174.387 174.900 -0.016 0.000 1.395 361 G CA -0.574 44.489 45.100 -0.062 0.000 0.901 361 G HN 0.820 nan 8.290 nan 0.000 0.519 362 G N -1.970 106.831 108.800 0.002 0.000 2.462 362 G HA2 0.465 4.425 3.960 0.001 0.000 0.685 362 G HA3 0.465 4.425 3.960 0.001 0.000 0.685 362 G C 0.061 174.981 174.900 0.034 0.000 1.295 362 G CA 0.040 45.150 45.100 0.018 0.000 0.941 362 G HN 2.077 nan 8.290 nan 0.000 0.554 363 A N -0.478 122.368 122.820 0.043 0.000 2.462 363 A HA 0.679 5.000 4.320 0.001 0.000 0.243 363 A C 1.987 179.627 177.584 0.092 0.000 1.076 363 A CA 1.962 54.036 52.037 0.062 0.000 0.773 363 A CB -0.028 19.010 19.000 0.064 0.000 1.010 363 A HN 2.931 nan 8.150 nan 0.000 0.493 364 G N 0.569 109.440 108.800 0.118 0.000 2.168 364 G HA2 -0.148 3.812 3.960 0.001 0.000 0.257 364 G HA3 -0.148 3.812 3.960 0.001 0.000 0.257 364 G C 0.085 175.076 174.900 0.151 0.000 0.997 364 G CA 0.393 45.603 45.100 0.184 0.000 0.708 364 G HN 1.446 nan 8.290 nan 0.000 0.520 365 V N 0.676 120.654 119.914 0.106 0.000 2.347 365 V HA 0.586 4.707 4.120 0.001 0.000 0.280 365 V C 0.572 176.737 176.094 0.118 0.000 1.021 365 V CA -0.660 61.703 62.300 0.105 0.000 0.847 365 V CB 1.482 33.346 31.823 0.067 0.000 0.990 365 V HN 0.462 nan 8.190 nan 0.000 0.444 366 R N 4.894 125.483 120.500 0.148 0.000 2.445 366 R HA 0.392 4.733 4.340 0.001 0.000 0.308 366 R C -1.372 175.092 176.300 0.274 0.000 0.961 366 R CA -0.597 55.599 56.100 0.160 0.000 0.862 366 R CB 1.417 31.776 30.300 0.098 0.000 1.144 366 R HN 0.811 nan 8.270 nan 0.000 0.447 367 W N 6.153 127.471 121.300 0.030 0.000 2.475 367 W HA 0.318 4.978 4.660 0.001 0.000 0.320 367 W C -1.269 175.277 176.519 0.045 0.000 1.022 367 W CA -0.667 56.706 57.345 0.047 0.000 1.240 367 W CB 1.764 31.262 29.460 0.062 0.000 1.328 367 W HN 0.512 nan 8.180 nan 0.000 0.439 368 E N 4.631 124.598 120.200 -0.387 0.000 2.149 368 E HA 0.296 4.646 4.350 0.001 0.000 0.255 368 E C -0.955 175.231 176.600 -0.691 0.000 0.888 368 E CA -0.167 56.001 56.400 -0.387 0.000 0.742 368 E CB 1.867 31.442 29.700 -0.207 0.000 1.164 368 E HN 0.324 nan 8.360 nan 0.000 0.422 369 S N 1.733 117.040 115.700 -0.654 0.000 2.558 369 S HA 0.176 4.646 4.470 0.001 0.000 0.277 369 S C 0.015 174.469 174.600 -0.243 0.000 1.143 369 S CA -0.655 57.202 58.200 -0.573 0.000 0.865 369 S CB 0.541 63.069 63.200 -1.121 0.000 1.102 369 S HN 0.595 nan 8.310 nan 0.000 0.454 370 H N 3.413 122.324 119.070 -0.265 0.000 2.575 370 H HA 0.320 4.876 4.556 0.001 0.000 0.267 370 H C 1.058 176.228 175.328 -0.263 0.000 0.966 370 H CA 0.187 56.114 56.048 -0.202 0.000 1.165 370 H CB -0.733 28.897 29.762 -0.220 0.000 1.433 370 H HN 0.686 nan 8.280 nan 0.000 0.544 371 I N -0.059 120.048 120.570 -0.771 0.000 2.938 371 I HA 0.342 4.512 4.170 0.001 0.000 0.285 371 I C -0.705 175.175 176.117 -0.395 0.000 1.182 371 I CA -0.817 60.028 61.300 -0.758 0.000 1.388 371 I CB 0.518 38.089 38.000 -0.714 0.000 1.390 371 I HN 0.057 nan 8.210 nan 0.000 0.600 372 Y N 2.281 122.400 120.300 -0.302 0.000 2.620 372 Y HA 0.678 5.228 4.550 0.000 0.000 0.331 372 Y C -0.483 175.488 175.900 0.118 0.000 1.173 372 Y CA -1.425 56.666 58.100 -0.016 0.000 1.076 372 Y CB 0.157 38.659 38.460 0.069 0.000 1.336 372 Y HN 0.905 nan 8.280 nan 0.000 0.459 373 A N 1.621 124.683 122.820 0.403 0.000 2.580 373 A HA 0.391 4.712 4.320 0.001 0.000 0.244 373 A C 1.522 179.257 177.584 0.252 0.000 1.045 373 A CA 1.600 53.812 52.037 0.291 0.000 0.761 373 A CB -1.307 17.866 19.000 0.289 0.000 0.962 373 A HN 2.432 nan 8.150 nan 0.000 0.512 374 G N 0.768 109.641 108.800 0.120 0.000 2.241 374 G HA2 -0.275 3.686 3.960 0.001 0.000 0.244 374 G HA3 -0.275 3.686 3.960 0.001 0.000 0.244 374 G C 0.231 175.128 174.900 -0.004 0.000 0.998 374 G CA 0.497 45.659 45.100 0.104 0.000 0.621 374 G HN 1.762 nan 8.290 nan 0.000 0.519 375 Y N 2.706 122.766 120.300 -0.400 0.000 2.411 375 Y HA 0.542 5.092 4.550 0.000 0.000 0.333 375 Y C 0.354 176.097 175.900 -0.262 0.000 1.186 375 Y CA 0.779 58.524 58.100 -0.593 0.000 1.381 375 Y CB 1.003 38.734 38.460 -1.216 0.000 1.273 375 Y HN 0.078 nan 8.280 nan 0.000 0.546 376 T N 6.234 120.170 114.554 -1.031 0.000 2.779 376 T HA 0.354 4.704 4.350 0.001 0.000 0.280 376 T C -0.927 173.212 174.700 -0.935 0.000 0.987 376 T CA -0.666 61.004 62.100 -0.718 0.000 0.966 376 T CB 0.863 69.524 68.868 -0.344 0.000 0.933 376 T HN 0.473 nan 8.240 nan 0.000 0.442 377 V N 7.799 127.415 119.914 -0.496 0.000 2.415 377 V HA 0.205 4.325 4.120 0.001 0.000 0.267 377 V C -1.525 174.516 176.094 -0.089 0.000 1.042 377 V CA -1.414 60.766 62.300 -0.201 0.000 1.000 377 V CB 0.056 31.856 31.823 -0.039 0.000 1.015 377 V HN 0.707 nan 8.190 nan 0.000 0.478 378 P HA 0.254 nan 4.420 nan 0.000 0.274 378 P C -2.256 174.998 177.300 -0.077 0.000 1.246 378 P CA -1.579 61.555 63.100 0.056 0.000 0.795 378 P CB 0.892 32.806 31.700 0.358 0.000 1.006 379 P HA 0.040 nan 4.420 nan 0.000 0.252 379 P C 0.824 177.834 177.300 -0.483 0.000 1.218 379 P CA 0.685 63.532 63.100 -0.422 0.000 0.807 379 P CB 0.021 31.426 31.700 -0.492 0.000 1.072 380 Y N -0.924 119.158 120.300 -0.363 0.000 2.509 380 Y HA 0.005 4.555 4.550 0.000 0.000 0.293 380 Y C 1.253 176.749 175.900 -0.673 0.000 1.133 380 Y CA 0.446 58.180 58.100 -0.609 0.000 1.283 380 Y CB -0.840 37.095 38.460 -0.875 0.000 1.001 380 Y HN -0.036 nan 8.280 nan 0.000 0.555 381 Y N -0.695 119.752 120.300 0.246 0.000 3.175 381 Y HA 0.292 4.843 4.550 0.000 0.000 0.313 381 Y C 0.387 176.355 175.900 0.114 0.000 1.525 381 Y CA -1.896 56.326 58.100 0.204 0.000 0.992 381 Y CB -0.271 38.340 38.460 0.252 0.000 1.347 381 Y HN -0.179 nan 8.280 nan 0.000 0.691 382 D N -0.515 120.056 120.400 0.286 0.000 2.384 382 D HA 0.053 4.694 4.640 0.001 0.000 0.244 382 D C 0.839 177.230 176.300 0.151 0.000 1.251 382 D CA 0.085 54.176 54.000 0.152 0.000 0.961 382 D CB 0.837 41.694 40.800 0.095 0.000 1.116 382 D HN 0.510 nan 8.370 nan 0.000 0.484 383 S N -0.631 115.132 115.700 0.105 0.000 2.528 383 S HA -0.024 4.447 4.470 0.001 0.000 0.219 383 S C 1.083 175.745 174.600 0.102 0.000 0.985 383 S CA -0.450 57.809 58.200 0.099 0.000 0.914 383 S CB -0.441 62.807 63.200 0.080 0.000 0.776 383 S HN 0.555 nan 8.310 nan 0.000 0.526 384 M N 2.893 122.552 119.600 0.100 0.000 2.307 384 M HA 0.273 4.754 4.480 0.001 0.000 0.346 384 M C 0.541 176.922 176.300 0.136 0.000 1.552 384 M CA -0.000 55.354 55.300 0.090 0.000 1.116 384 M CB 0.336 32.978 32.600 0.070 0.000 1.889 384 M HN 0.490 nan 8.290 nan 0.000 0.460 385 I N 1.542 122.165 120.570 0.089 0.000 4.082 385 I HA 0.618 4.788 4.170 0.001 0.000 0.337 385 I C 0.505 176.553 176.117 -0.115 0.000 1.352 385 I CA -0.261 61.066 61.300 0.045 0.000 1.097 385 I CB 0.190 38.183 38.000 -0.013 0.000 1.048 385 I HN 0.688 nan 8.210 nan 0.000 0.393 386 G N 1.145 109.876 108.800 -0.115 0.000 2.322 386 G HA2 0.438 4.399 3.960 0.001 0.000 0.295 386 G HA3 0.438 4.399 3.960 0.001 0.000 0.295 386 G C -2.004 172.745 174.900 -0.252 0.000 1.369 386 G CA -0.929 43.951 45.100 -0.366 0.000 0.821 386 G HN 0.078 nan 8.290 nan 0.000 0.536 387 K N -0.420 119.757 120.400 -0.371 0.000 2.513 387 K HA 0.551 4.872 4.320 0.001 0.000 0.251 387 K C -1.669 174.924 176.600 -0.012 0.000 0.939 387 K CA -0.791 55.422 56.287 -0.123 0.000 0.793 387 K CB 2.856 35.296 32.500 -0.100 0.000 1.241 387 K HN 0.394 nan 8.250 nan 0.000 0.431 388 L N 4.547 125.892 121.223 0.204 0.000 2.294 388 L HA 0.511 4.851 4.340 0.001 0.000 0.283 388 L C -1.574 175.412 176.870 0.193 0.000 1.015 388 L CA -0.496 54.559 54.840 0.358 0.000 0.831 388 L CB 0.767 43.078 42.059 0.420 0.000 1.217 388 L HN 0.508 nan 8.230 nan 0.000 0.420 389 I N 4.916 125.586 120.570 0.168 0.000 2.378 389 I HA 0.434 4.604 4.170 0.001 0.000 0.291 389 I C -0.581 175.623 176.117 0.145 0.000 0.992 389 I CA -0.083 61.291 61.300 0.123 0.000 1.154 389 I CB 1.566 39.611 38.000 0.075 0.000 1.315 389 I HN 0.489 nan 8.210 nan 0.000 0.448 390 C N 5.609 124.998 119.300 0.147 0.000 2.345 390 C HA 0.523 4.984 4.460 0.001 0.000 0.323 390 C C -0.396 174.705 174.990 0.185 0.000 1.276 390 C CA -0.725 58.387 59.018 0.156 0.000 1.543 390 C CB 0.563 28.379 27.740 0.127 0.000 2.211 390 C HN 0.688 nan 8.230 nan 0.000 0.493 391 Y N 2.003 122.346 120.300 0.072 0.000 2.457 391 Y HA 0.813 5.364 4.550 0.000 0.000 0.333 391 Y C 0.220 176.163 175.900 0.070 0.000 1.119 391 Y CA 0.064 58.207 58.100 0.071 0.000 1.143 391 Y CB 1.539 40.029 38.460 0.051 0.000 1.230 391 Y HN 0.813 nan 8.280 nan 0.000 0.469 392 G N 2.865 111.160 108.800 -0.841 0.000 2.677 392 G HA2 0.218 4.178 3.960 0.001 0.000 0.291 392 G HA3 0.218 4.178 3.960 0.001 0.000 0.291 392 G C -0.569 173.920 174.900 -0.686 0.000 1.435 392 G CA -0.574 44.218 45.100 -0.514 0.000 0.826 392 G HN 0.605 nan 8.290 nan 0.000 0.491 393 E N -0.371 119.668 120.200 -0.268 0.000 2.265 393 E HA -0.113 4.237 4.350 0.001 0.000 0.196 393 E C 0.598 177.117 176.600 -0.135 0.000 0.996 393 E CA 1.403 57.718 56.400 -0.142 0.000 0.832 393 E CB -0.253 29.430 29.700 -0.028 0.000 0.756 393 E HN 0.570 nan 8.360 nan 0.000 0.491 394 N N -1.175 117.434 118.700 -0.152 0.000 2.853 394 N HA 0.189 4.929 4.740 0.001 0.000 0.258 394 N C 0.233 175.633 175.510 -0.182 0.000 1.444 394 N CA -0.770 52.203 53.050 -0.128 0.000 0.837 394 N CB 1.097 39.518 38.487 -0.110 0.000 1.489 394 N HN -0.175 nan 8.380 nan 0.000 0.529 395 R N -0.584 119.715 120.500 -0.334 0.000 2.083 395 R HA -0.115 4.226 4.340 0.001 0.000 0.237 395 R C 0.273 176.391 176.300 -0.302 0.000 1.137 395 R CA 2.011 57.758 56.100 -0.589 0.000 0.951 395 R CB -0.459 29.312 30.300 -0.881 0.000 0.851 395 R HN 0.634 nan 8.270 nan 0.000 0.434 396 D N -0.291 119.976 120.400 -0.222 0.000 2.123 396 D HA -0.141 4.499 4.640 0.001 0.000 0.196 396 D C 1.892 178.140 176.300 -0.086 0.000 0.992 396 D CA 1.223 55.140 54.000 -0.138 0.000 0.833 396 D CB -0.164 40.571 40.800 -0.108 0.000 0.954 396 D HN 0.111 nan 8.370 nan 0.000 0.455 397 V N 1.232 121.093 119.914 -0.088 0.000 2.358 397 V HA -0.213 3.907 4.120 0.001 0.000 0.246 397 V C 2.493 178.566 176.094 -0.034 0.000 1.047 397 V CA 1.688 63.954 62.300 -0.056 0.000 1.035 397 V CB -0.713 31.070 31.823 -0.066 0.000 0.658 397 V HN 0.185 nan 8.190 nan 0.000 0.452 398 A N -0.018 122.773 122.820 -0.048 0.000 1.902 398 A HA -0.172 4.148 4.320 0.001 0.000 0.217 398 A C 2.175 179.795 177.584 0.061 0.000 1.181 398 A CA 1.924 53.969 52.037 0.015 0.000 0.623 398 A CB -0.503 18.535 19.000 0.063 0.000 0.818 398 A HN 0.504 nan 8.150 nan 0.000 0.443 399 I N -0.335 120.263 120.570 0.045 0.000 2.202 399 I HA -0.258 3.912 4.170 0.001 0.000 0.242 399 I C 2.995 179.156 176.117 0.075 0.000 1.091 399 I CA 1.027 62.386 61.300 0.098 0.000 1.368 399 I CB -0.458 37.584 38.000 0.071 0.000 1.058 399 I HN 0.356 nan 8.210 nan 0.000 0.410 400 A N 0.901 123.742 122.820 0.035 0.000 1.940 400 A HA -0.226 4.094 4.320 0.001 0.000 0.219 400 A C 2.394 180.001 177.584 0.038 0.000 1.176 400 A CA 1.648 53.703 52.037 0.030 0.000 0.631 400 A CB -0.592 18.414 19.000 0.010 0.000 0.814 400 A HN 0.346 nan 8.150 nan 0.000 0.446 401 R N -2.060 118.465 120.500 0.042 0.000 2.115 401 R HA -0.032 4.309 4.340 0.001 0.000 0.226 401 R C 2.149 178.484 176.300 0.059 0.000 1.100 401 R CA 1.419 57.548 56.100 0.049 0.000 0.980 401 R CB -0.305 30.029 30.300 0.057 0.000 0.875 401 R HN 0.557 nan 8.270 nan 0.000 0.445 402 M N 1.405 121.051 119.600 0.077 0.000 2.175 402 M HA -0.122 4.358 4.480 0.001 0.000 0.264 402 M C 1.520 177.859 176.300 0.066 0.000 1.063 402 M CA 1.768 57.118 55.300 0.085 0.000 1.119 402 M CB 0.057 32.725 32.600 0.113 0.000 1.377 402 M HN -0.124 nan 8.290 nan 0.000 0.415 403 K N -0.195 120.244 120.400 0.064 0.000 2.002 403 K HA -0.131 4.190 4.320 0.001 0.000 0.209 403 K C 1.862 178.483 176.600 0.034 0.000 1.048 403 K CA 2.030 58.347 56.287 0.050 0.000 0.930 403 K CB -0.562 31.968 32.500 0.051 0.000 0.714 403 K HN 0.556 nan 8.250 nan 0.000 0.438 404 N N 0.629 119.347 118.700 0.030 0.000 2.069 404 N HA -0.195 4.546 4.740 0.001 0.000 0.191 404 N C 1.940 177.456 175.510 0.009 0.000 1.031 404 N CA 0.956 54.017 53.050 0.018 0.000 0.852 404 N CB -0.171 38.327 38.487 0.018 0.000 1.018 404 N HN 0.207 nan 8.380 nan 0.000 0.423 405 A N 1.394 124.223 122.820 0.014 0.000 1.898 405 A HA -0.065 4.255 4.320 0.001 0.000 0.216 405 A C 2.163 179.735 177.584 -0.019 0.000 1.181 405 A CA 0.944 52.976 52.037 -0.008 0.000 0.620 405 A CB -0.695 18.313 19.000 0.012 0.000 0.819 405 A HN 0.177 nan 8.150 nan 0.000 0.442 406 L N -0.812 120.416 121.223 0.010 0.000 2.131 406 L HA -0.256 4.084 4.340 0.001 0.000 0.210 406 L C 2.828 179.699 176.870 0.002 0.000 1.092 406 L CA 1.420 56.267 54.840 0.013 0.000 0.759 406 L CB -0.462 41.617 42.059 0.033 0.000 0.903 406 L HN 0.515 nan 8.230 nan 0.000 0.435 407 Q N -0.399 119.402 119.800 0.001 0.000 2.123 407 Q HA -0.192 4.148 4.340 0.001 0.000 0.199 407 Q C 1.938 177.930 176.000 -0.014 0.000 0.966 407 Q CA 1.229 57.030 55.803 -0.002 0.000 0.845 407 Q CB 0.063 28.801 28.738 0.001 0.000 0.907 407 Q HN 0.536 nan 8.270 nan 0.000 0.439 408 E N 0.225 120.412 120.200 -0.022 0.000 2.285 408 E HA -0.061 4.290 4.350 0.001 0.000 0.194 408 E C -0.048 176.533 176.600 -0.030 0.000 0.997 408 E CA -0.192 56.199 56.400 -0.015 0.000 0.845 408 E CB 0.204 29.898 29.700 -0.011 0.000 0.782 408 E HN 0.085 nan 8.360 nan 0.000 0.491 409 L N 1.906 123.079 121.223 -0.083 0.000 2.462 409 L HA 0.110 4.450 4.340 0.001 0.000 0.272 409 L C -0.606 176.241 176.870 -0.038 0.000 1.166 409 L CA 0.785 55.548 54.840 -0.128 0.000 0.880 409 L CB 0.259 42.251 42.059 -0.113 0.000 1.142 409 L HN -0.068 nan 8.230 nan 0.000 0.473 410 I N 6.980 127.530 120.570 -0.034 0.000 2.447 410 I HA 0.391 4.561 4.170 0.001 0.000 0.287 410 I C -0.728 175.497 176.117 0.180 0.000 1.023 410 I CA -0.322 61.006 61.300 0.047 0.000 1.083 410 I CB 1.425 39.440 38.000 0.025 0.000 1.245 410 I HN 0.483 nan 8.210 nan 0.000 0.434 411 I N 5.336 126.016 120.570 0.183 0.000 2.560 411 I HA 0.282 4.452 4.170 0.001 0.000 0.278 411 I C -1.311 174.884 176.117 0.130 0.000 1.089 411 I CA -0.521 60.915 61.300 0.227 0.000 1.086 411 I CB 1.298 39.431 38.000 0.223 0.000 1.202 411 I HN 0.403 nan 8.210 nan 0.000 0.471 412 D N 3.348 123.818 120.400 0.116 0.000 2.326 412 D HA 0.639 5.279 4.640 0.001 0.000 0.251 412 D C 1.097 177.430 176.300 0.056 0.000 1.023 412 D CA 0.298 54.342 54.000 0.072 0.000 0.966 412 D CB 2.005 42.842 40.800 0.062 0.000 1.156 412 D HN 0.725 nan 8.370 nan 0.000 0.494 413 G N -0.340 108.481 108.800 0.035 0.000 2.241 413 G HA2 -0.203 3.757 3.960 0.001 0.000 0.244 413 G HA3 -0.203 3.757 3.960 0.001 0.000 0.244 413 G C 0.317 175.222 174.900 0.008 0.000 0.998 413 G CA 0.540 45.651 45.100 0.018 0.000 0.621 413 G HN 0.665 nan 8.290 nan 0.000 0.519 414 I N -3.020 117.561 120.570 0.018 0.000 2.994 414 I HA 0.754 4.924 4.170 0.001 0.000 0.306 414 I C -0.559 175.574 176.117 0.026 0.000 1.195 414 I CA -1.652 59.655 61.300 0.012 0.000 1.001 414 I CB 1.690 39.694 38.000 0.007 0.000 1.244 414 I HN -0.085 nan 8.210 nan 0.000 0.437 415 K N 2.720 123.133 120.400 0.022 0.000 2.276 415 K HA 0.513 4.834 4.320 0.001 0.000 0.283 415 K C -0.137 176.491 176.600 0.045 0.000 1.044 415 K CA -0.306 55.999 56.287 0.030 0.000 0.944 415 K CB 1.366 33.879 32.500 0.021 0.000 1.012 415 K HN 0.843 nan 8.250 nan 0.000 0.472 416 T N -1.776 112.811 114.554 0.055 0.000 2.831 416 T HA 0.237 4.587 4.350 0.001 0.000 0.287 416 T C 0.326 175.067 174.700 0.067 0.000 1.070 416 T CA -0.974 61.166 62.100 0.068 0.000 1.010 416 T CB 0.993 69.911 68.868 0.084 0.000 1.264 416 T HN 0.590 nan 8.240 nan 0.000 0.532 417 N N 0.059 118.801 118.700 0.070 0.000 2.214 417 N HA 0.079 4.819 4.740 0.001 0.000 0.214 417 N C 1.350 176.892 175.510 0.052 0.000 1.132 417 N CA -0.205 52.880 53.050 0.058 0.000 0.856 417 N CB -0.460 38.056 38.487 0.048 0.000 1.020 417 N HN 0.369 nan 8.380 nan 0.000 0.509 418 V N 1.016 120.969 119.914 0.065 0.000 2.324 418 V HA -0.266 3.854 4.120 0.001 0.000 0.250 418 V C 2.298 178.417 176.094 0.043 0.000 1.060 418 V CA 2.257 64.595 62.300 0.063 0.000 1.042 418 V CB -0.577 31.290 31.823 0.072 0.000 0.650 418 V HN 0.398 nan 8.190 nan 0.000 0.450 419 D N -0.152 120.272 120.400 0.040 0.000 2.123 419 D HA -0.191 4.449 4.640 0.001 0.000 0.196 419 D C 2.145 178.459 176.300 0.023 0.000 0.992 419 D CA 1.661 55.679 54.000 0.030 0.000 0.833 419 D CB 0.034 40.853 40.800 0.031 0.000 0.954 419 D HN 0.373 nan 8.370 nan 0.000 0.455 420 L N 1.141 122.377 121.223 0.022 0.000 2.042 420 L HA -0.189 4.151 4.340 0.001 0.000 0.210 420 L C 2.366 179.229 176.870 -0.012 0.000 1.076 420 L CA 1.615 56.458 54.840 0.005 0.000 0.749 420 L CB -0.636 41.425 42.059 0.003 0.000 0.893 420 L HN -0.029 nan 8.230 nan 0.000 0.432 421 Q N -0.142 119.654 119.800 -0.007 0.000 2.084 421 Q HA -0.187 4.153 4.340 0.001 0.000 0.202 421 Q C 2.404 178.393 176.000 -0.017 0.000 0.978 421 Q CA 2.255 58.044 55.803 -0.023 0.000 0.844 421 Q CB -0.423 28.319 28.738 0.006 0.000 0.898 421 Q HN 0.633 nan 8.270 nan 0.000 0.426 422 I N 0.398 120.973 120.570 0.008 0.000 2.208 422 I HA -0.306 3.865 4.170 0.001 0.000 0.245 422 I C 2.541 178.670 176.117 0.019 0.000 1.097 422 I CA 1.210 62.521 61.300 0.019 0.000 1.363 422 I CB -0.237 37.778 38.000 0.024 0.000 1.051 422 I HN 0.160 nan 8.210 nan 0.000 0.413 423 R N 0.565 121.072 120.500 0.012 0.000 2.081 423 R HA -0.115 4.225 4.340 0.001 0.000 0.235 423 R C 2.307 178.618 176.300 0.019 0.000 1.131 423 R CA 1.383 57.495 56.100 0.019 0.000 0.960 423 R CB -0.275 30.032 30.300 0.013 0.000 0.856 423 R HN 0.368 nan 8.270 nan 0.000 0.436 424 I N 0.265 120.818 120.570 -0.029 0.000 2.315 424 I HA -0.243 3.927 4.170 0.001 0.000 0.248 424 I C 2.073 178.143 176.117 -0.079 0.000 1.117 424 I CA 0.893 62.140 61.300 -0.088 0.000 1.404 424 I CB -0.164 37.700 38.000 -0.226 0.000 1.071 424 I HN 0.156 nan 8.210 nan 0.000 0.419 425 M N 0.129 119.709 119.600 -0.034 0.000 2.374 425 M HA -0.110 4.371 4.480 0.001 0.000 0.264 425 M C 1.315 177.727 176.300 0.187 0.000 1.067 425 M CA 1.365 56.736 55.300 0.119 0.000 1.103 425 M CB -1.136 31.521 32.600 0.096 0.000 1.402 425 M HN 0.274 nan 8.290 nan 0.000 0.444 426 N N 0.433 119.206 118.700 0.122 0.000 2.280 426 N HA -0.010 4.731 4.740 0.001 0.000 0.192 426 N C 0.078 175.666 175.510 0.131 0.000 1.109 426 N CA 0.110 53.227 53.050 0.112 0.000 0.855 426 N CB 0.409 38.940 38.487 0.073 0.000 0.974 426 N HN 0.382 nan 8.380 nan 0.000 0.482 427 D N 1.831 122.337 120.400 0.177 0.000 2.383 427 D HA -0.033 4.608 4.640 0.001 0.000 0.252 427 D C 1.119 177.541 176.300 0.204 0.000 1.166 427 D CA 0.034 54.157 54.000 0.205 0.000 0.879 427 D CB 1.384 42.351 40.800 0.278 0.000 1.164 427 D HN 0.326 nan 8.370 nan 0.000 0.462 428 E N 3.607 123.895 120.200 0.147 0.000 2.118 428 E HA -0.242 4.108 4.350 0.001 0.000 0.195 428 E C 0.983 177.637 176.600 0.089 0.000 0.992 428 E CA 0.785 57.246 56.400 0.101 0.000 0.804 428 E CB -0.087 29.655 29.700 0.071 0.000 0.741 428 E HN 0.429 nan 8.360 nan 0.000 0.458 429 N N 0.612 119.365 118.700 0.088 0.000 2.142 429 N HA -0.136 4.605 4.740 0.001 0.000 0.186 429 N C 1.739 177.241 175.510 -0.014 0.000 1.023 429 N CA 1.215 54.251 53.050 -0.024 0.000 0.852 429 N CB -0.436 37.909 38.487 -0.236 0.000 0.998 429 N HN 0.239 nan 8.380 nan 0.000 0.424 430 F N 2.347 122.248 119.950 -0.082 0.000 2.134 430 F HA -0.188 4.339 4.527 0.001 0.000 0.299 430 F C 2.434 178.221 175.800 -0.021 0.000 1.097 430 F CA 1.354 59.324 58.000 -0.050 0.000 1.264 430 F CB -0.066 38.949 39.000 0.025 0.000 1.001 430 F HN 0.003 nan 8.300 nan 0.000 0.479 431 Q N -1.082 118.651 119.800 -0.112 0.000 2.181 431 Q HA -0.287 4.053 4.340 0.001 0.000 0.205 431 Q C 1.943 177.822 176.000 -0.201 0.000 0.980 431 Q CA 1.796 57.475 55.803 -0.206 0.000 0.862 431 Q CB -0.448 28.275 28.738 -0.024 0.000 0.905 431 Q HN 0.628 nan 8.270 nan 0.000 0.429 432 H N -0.394 118.567 119.070 -0.183 0.000 2.363 432 H HA 0.099 4.656 4.556 0.001 0.000 0.301 432 H C 0.529 175.741 175.328 -0.193 0.000 1.074 432 H CA 1.406 57.363 56.048 -0.153 0.000 1.354 432 H CB 0.021 29.720 29.762 -0.106 0.000 1.397 432 H HN 0.252 nan 8.280 nan 0.000 0.516 433 G N -2.202 106.413 108.800 -0.308 0.000 2.619 433 G HA2 0.277 4.237 3.960 0.001 0.000 0.686 433 G HA3 0.277 4.237 3.960 0.001 0.000 0.686 433 G C 0.650 175.449 174.900 -0.168 0.000 1.256 433 G CA 0.091 44.993 45.100 -0.330 0.000 0.826 433 G HN 1.245 nan 8.290 nan 0.000 0.619 434 G N -0.996 107.752 108.800 -0.085 0.000 2.176 434 G HA2 0.180 4.140 3.960 0.001 0.000 0.252 434 G HA3 0.180 4.140 3.960 0.001 0.000 0.252 434 G C 0.869 175.784 174.900 0.025 0.000 1.024 434 G CA 1.461 46.561 45.100 0.001 0.000 0.755 434 G HN 2.746 nan 8.290 nan 0.000 0.507 435 T N -0.900 113.652 114.554 -0.003 0.000 2.918 435 T HA 0.500 4.850 4.350 0.001 0.000 0.302 435 T C 0.817 175.554 174.700 0.061 0.000 1.045 435 T CA 0.032 62.106 62.100 -0.044 0.000 1.114 435 T CB 1.379 70.080 68.868 -0.278 0.000 0.965 435 T HN 0.843 nan 8.240 nan 0.000 0.540 436 N N 1.847 120.599 118.700 0.086 0.000 2.327 436 N HA 0.158 4.898 4.740 0.001 0.000 0.257 436 N C 1.388 176.934 175.510 0.059 0.000 1.281 436 N CA -0.678 52.417 53.050 0.075 0.000 0.942 436 N CB -0.016 38.511 38.487 0.066 0.000 1.199 436 N HN 0.816 nan 8.380 nan 0.000 0.532 437 I N -4.204 116.317 120.570 -0.083 0.000 2.700 437 I HA -0.124 4.047 4.170 0.001 0.000 0.261 437 I C 0.672 176.690 176.117 -0.165 0.000 1.219 437 I CA 1.165 62.381 61.300 -0.141 0.000 1.463 437 I CB -0.490 37.385 38.000 -0.208 0.000 1.092 437 I HN 0.419 nan 8.210 nan 0.000 0.452 438 H N -0.740 118.398 119.070 0.114 0.000 2.563 438 H HA 0.032 4.588 4.556 0.001 0.000 0.264 438 H C 1.657 177.036 175.328 0.084 0.000 0.957 438 H CA 0.507 56.603 56.048 0.080 0.000 1.173 438 H CB -0.333 29.471 29.762 0.070 0.000 1.420 438 H HN 0.411 nan 8.280 nan 0.000 0.551 439 Y N 1.895 122.259 120.300 0.107 0.000 2.081 439 Y HA -0.282 4.268 4.550 0.001 0.000 0.280 439 Y C 2.420 178.349 175.900 0.050 0.000 1.163 439 Y CA 1.348 59.497 58.100 0.081 0.000 1.135 439 Y CB -0.525 37.983 38.460 0.080 0.000 0.970 439 Y HN 0.109 nan 8.280 nan 0.000 0.498 440 L N 0.881 122.060 121.223 -0.074 0.000 1.989 440 L HA -0.228 4.112 4.340 0.001 0.000 0.211 440 L C 2.181 178.934 176.870 -0.195 0.000 1.071 440 L CA 2.241 56.976 54.840 -0.175 0.000 0.749 440 L CB -1.079 40.941 42.059 -0.066 0.000 0.890 440 L HN 0.348 nan 8.230 nan 0.000 0.431 441 E N -0.852 119.279 120.200 -0.116 0.000 2.267 441 E HA -0.297 4.053 4.350 0.001 0.000 0.197 441 E C 2.014 178.555 176.600 -0.098 0.000 0.998 441 E CA 1.177 57.522 56.400 -0.092 0.000 0.830 441 E CB -0.041 29.629 29.700 -0.051 0.000 0.751 441 E HN 0.337 nan 8.360 nan 0.000 0.491 442 K N 1.934 122.248 120.400 -0.142 0.000 1.991 442 K HA -0.147 4.174 4.320 0.001 0.000 0.207 442 K C 1.939 178.425 176.600 -0.190 0.000 1.045 442 K CA 1.516 57.715 56.287 -0.145 0.000 0.937 442 K CB -0.143 32.266 32.500 -0.152 0.000 0.720 442 K HN -0.122 nan 8.250 nan 0.000 0.438 443 K N 0.249 120.443 120.400 -0.344 0.000 2.113 443 K HA -0.131 4.189 4.320 0.001 0.000 0.208 443 K C 1.415 177.933 176.600 -0.136 0.000 1.047 443 K CA 1.838 57.960 56.287 -0.274 0.000 0.928 443 K CB -0.133 32.143 32.500 -0.373 0.000 0.716 443 K HN 0.290 nan 8.250 nan 0.000 0.446 444 L N -0.842 120.309 121.223 -0.120 0.000 2.607 444 L HA 0.321 4.661 4.340 0.001 0.000 0.228 444 L C 0.925 177.779 176.870 -0.027 0.000 1.123 444 L CA 0.179 54.987 54.840 -0.054 0.000 0.890 444 L CB 0.418 42.458 42.059 -0.031 0.000 1.103 444 L HN 0.308 nan 8.230 nan 0.000 0.468 445 G N 1.266 110.042 108.800 -0.040 0.000 2.246 445 G HA2 -0.270 3.690 3.960 0.001 0.000 0.273 445 G HA3 -0.270 3.690 3.960 0.001 0.000 0.273 445 G C 0.452 175.353 174.900 0.002 0.000 1.055 445 G CA 0.335 45.424 45.100 -0.018 0.000 0.851 445 G HN 0.391 nan 8.290 nan 0.000 0.500 446 L N -0.331 120.893 121.223 0.002 0.000 2.653 446 L HA 0.184 4.525 4.340 0.001 0.000 0.231 446 L C 1.804 178.677 176.870 0.006 0.000 1.153 446 L CA -0.261 54.596 54.840 0.027 0.000 0.933 446 L CB -0.277 41.808 42.059 0.043 0.000 1.175 446 L HN 0.466 nan 8.230 nan 0.000 0.473 447 Q N 0.000 119.796 119.800 -0.007 0.000 2.315 447 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 447 Q CA 0.000 55.797 55.803 -0.011 0.000 1.022 447 Q CB 0.000 28.728 28.738 -0.016 0.000 1.108 447 Q HN 0.000 nan 8.270 nan 0.000 0.481