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 2rmp_1_A DATA FIRST_RESID 4 DATA SEQUENCE DGSVDTPGYY DFDLEEYAIP VSIGTPGQDF LLLFDTGSSD TWVPHKGcTK DATA SEQUENCE SEGcVGSRFF DPSASSTFKA TNYNLNITYG TGGANGLYFE DSIAIGDITV DATA SEQUENCE TKQILAYVDN VRGPTAEQSP NADIFLDGLF GAAYPDNTAM EAEYGSTYNT DATA SEQUENCE VHVNLYKQGL ISSPLFSVYM NTNSGTGEVV FGGVNNTLLG GDIAYTDVMS DATA SEQUENCE RYGGYYFWDA PVTGITVDGS AAVRFSRPQA FTIDTGTNFF IMPSSAASKI DATA SEQUENCE VKAALPDATE TQQGWVVPcA SYQNSKSTIS IVMQKSGSSS DTIEISVPVS DATA SEQUENCE KMLLPVDQSN ETcMFIILPD GGNQYIVGNL FLRFFVNVYD FGNNRIGFAP DATA SEQUENCE LASAYENE 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.330 176.300 0.050 0.000 2.045 4 D CA 0.000 54.024 54.000 0.040 0.000 0.868 4 D CB 0.000 40.823 40.800 0.039 0.000 0.688 5 G N 0.466 109.303 108.800 0.061 0.000 4.486 5 G HA2 0.548 4.508 3.960 0.001 0.000 0.306 5 G HA3 0.548 4.508 3.960 0.001 0.000 0.306 5 G C 0.048 175.010 174.900 0.105 0.000 1.331 5 G CA 1.104 46.251 45.100 0.077 0.000 1.113 5 G HN 1.392 nan 8.290 nan 0.000 0.594 6 S N -1.146 114.616 115.700 0.103 0.000 2.540 6 S HA 0.665 5.136 4.470 0.001 0.000 0.275 6 S C -0.999 173.680 174.600 0.131 0.000 1.123 6 S CA -0.705 57.576 58.200 0.134 0.000 0.907 6 S CB 2.463 65.730 63.200 0.111 0.000 1.081 6 S HN 0.107 nan 8.310 nan 0.000 0.476 7 V N 2.498 122.524 119.914 0.188 0.000 2.394 7 V HA 0.463 4.584 4.120 0.001 0.000 0.282 7 V C -0.827 175.389 176.094 0.203 0.000 1.031 7 V CA -0.453 61.954 62.300 0.179 0.000 0.881 7 V CB 1.232 33.161 31.823 0.178 0.000 0.982 7 V HN 0.916 nan 8.190 nan 0.000 0.451 8 D N 2.614 123.081 120.400 0.111 0.000 2.185 8 D HA 0.754 5.394 4.640 0.001 0.000 0.247 8 D C -0.234 176.079 176.300 0.021 0.000 1.027 8 D CA 0.016 54.046 54.000 0.051 0.000 0.861 8 D CB 1.949 42.761 40.800 0.020 0.000 1.202 8 D HN 0.616 nan 8.370 nan 0.000 0.453 9 T N 1.292 115.812 114.554 -0.056 0.000 2.956 9 T HA 0.490 4.841 4.350 0.001 0.000 0.312 9 T C -2.815 171.735 174.700 -0.250 0.000 1.151 9 T CA -1.330 60.695 62.100 -0.125 0.000 1.024 9 T CB 2.327 71.122 68.868 -0.121 0.000 1.140 9 T HN 0.165 nan 8.240 nan 0.000 0.473 10 P HA 0.432 nan 4.420 nan 0.000 0.282 10 P C -0.440 176.370 177.300 -0.816 0.000 1.249 10 P CA -0.305 62.489 63.100 -0.509 0.000 0.806 10 P CB 0.973 32.337 31.700 -0.560 0.000 0.984 11 G N 2.119 110.479 108.800 -0.734 0.000 2.468 11 G HA2 0.446 4.406 3.960 0.001 0.000 0.315 11 G HA3 0.446 4.406 3.960 0.001 0.000 0.315 11 G C -1.167 173.285 174.900 -0.748 0.000 1.203 11 G CA -0.268 44.242 45.100 -0.983 0.000 0.962 11 G HN 0.271 nan 8.290 nan 0.000 0.476 12 Y N 1.268 121.287 120.300 -0.469 0.000 2.335 12 Y HA 0.286 4.837 4.550 0.001 0.000 0.331 12 Y C 0.024 175.779 175.900 -0.243 0.000 1.094 12 Y CA -1.009 56.938 58.100 -0.255 0.000 1.253 12 Y CB 0.891 39.224 38.460 -0.212 0.000 1.203 12 Y HN 0.544 nan 8.280 nan 0.000 0.508 13 Y N 3.158 123.398 120.300 -0.099 0.000 2.327 13 Y HA 0.214 4.764 4.550 0.001 0.000 0.336 13 Y C -0.188 175.442 175.900 -0.450 0.000 1.035 13 Y CA -0.905 57.017 58.100 -0.297 0.000 1.165 13 Y CB 0.704 38.843 38.460 -0.534 0.000 1.181 13 Y HN 0.570 nan 8.280 nan 0.000 0.494 14 D N 5.642 125.679 120.400 -0.604 0.000 2.479 14 D HA 0.067 4.707 4.640 0.001 0.000 0.218 14 D C 0.175 176.317 176.300 -0.263 0.000 1.131 14 D CA -0.110 53.690 54.000 -0.335 0.000 0.916 14 D CB -0.103 40.519 40.800 -0.296 0.000 1.022 14 D HN 0.525 nan 8.370 nan 0.000 0.515 15 F N 1.180 121.245 119.950 0.192 0.000 2.408 15 F HA -0.094 4.433 4.527 0.001 0.000 0.300 15 F C 2.009 177.872 175.800 0.105 0.000 1.090 15 F CA 0.552 58.699 58.000 0.244 0.000 1.427 15 F CB 0.019 39.127 39.000 0.179 0.000 1.070 15 F HN 0.342 nan 8.300 nan 0.000 0.549 16 D N -0.068 120.434 120.400 0.171 0.000 2.113 16 D HA -0.100 4.540 4.640 0.001 0.000 0.206 16 D C 2.204 178.521 176.300 0.028 0.000 0.979 16 D CA 1.007 55.063 54.000 0.092 0.000 0.862 16 D CB -0.370 40.458 40.800 0.048 0.000 1.013 16 D HN 0.134 nan 8.370 nan 0.000 0.455 17 L N 0.988 122.179 121.223 -0.054 0.000 2.362 17 L HA -0.052 4.288 4.340 0.001 0.000 0.219 17 L C 0.293 177.087 176.870 -0.126 0.000 1.134 17 L CA 1.105 55.885 54.840 -0.100 0.000 0.807 17 L CB -0.572 41.388 42.059 -0.165 0.000 0.927 17 L HN 0.148 nan 8.230 nan 0.000 0.447 18 E N -0.049 120.073 120.200 -0.131 0.000 2.340 18 E HA -0.186 4.165 4.350 0.001 0.000 0.240 18 E C -0.320 176.049 176.600 -0.386 0.000 1.154 18 E CA 0.246 56.566 56.400 -0.133 0.000 0.717 18 E CB -1.056 28.627 29.700 -0.029 0.000 1.250 18 E HN 0.428 nan 8.360 nan 0.000 0.386 19 E N -0.018 119.826 120.200 -0.592 0.000 2.277 19 E HA 0.344 4.695 4.350 0.001 0.000 0.266 19 E C -0.952 175.271 176.600 -0.629 0.000 0.901 19 E CA -0.860 55.251 56.400 -0.482 0.000 0.782 19 E CB 1.281 30.807 29.700 -0.289 0.000 1.228 19 E HN 0.131 nan 8.360 nan 0.000 0.424 20 Y N 0.878 120.877 120.300 -0.500 0.000 2.323 20 Y HA 0.532 5.083 4.550 0.001 0.000 0.331 20 Y C -0.804 174.961 175.900 -0.224 0.000 1.092 20 Y CA -0.815 57.058 58.100 -0.378 0.000 1.150 20 Y CB 1.198 39.537 38.460 -0.202 0.000 1.200 20 Y HN 0.538 nan 8.280 nan 0.000 0.472 21 A N 6.974 129.422 122.820 -0.619 0.000 2.475 21 A HA 0.757 5.077 4.320 0.001 0.000 0.301 21 A C -1.409 175.832 177.584 -0.571 0.000 1.059 21 A CA -0.769 51.003 52.037 -0.441 0.000 0.710 21 A CB 0.895 19.764 19.000 -0.218 0.000 1.288 21 A HN 0.824 nan 8.150 nan 0.000 0.408 22 I N -0.200 120.119 120.570 -0.419 0.000 2.530 22 I HA 0.750 4.921 4.170 0.001 0.000 0.297 22 I C -2.729 173.288 176.117 -0.167 0.000 1.011 22 I CA -2.707 58.342 61.300 -0.418 0.000 1.107 22 I CB 2.663 40.343 38.000 -0.534 0.000 1.285 22 I HN 0.332 nan 8.210 nan 0.000 0.436 23 P HA 0.280 nan 4.420 nan 0.000 0.285 23 P C -0.942 176.377 177.300 0.032 0.000 1.259 23 P CA -0.252 62.875 63.100 0.045 0.000 0.794 23 P CB 2.424 34.199 31.700 0.125 0.000 0.940 24 V N 1.969 121.943 119.914 0.100 0.000 3.147 24 V HA 0.491 4.612 4.120 0.001 0.000 0.306 24 V C -0.891 175.319 176.094 0.193 0.000 1.209 24 V CA -0.560 61.818 62.300 0.129 0.000 1.023 24 V CB 2.631 34.549 31.823 0.158 0.000 1.059 24 V HN 0.606 nan 8.190 nan 0.000 0.435 25 S N 3.835 119.643 115.700 0.181 0.000 2.561 25 S HA 0.751 5.222 4.470 0.001 0.000 0.303 25 S C -1.029 173.722 174.600 0.252 0.000 1.110 25 S CA -0.440 57.888 58.200 0.212 0.000 1.034 25 S CB 0.812 64.091 63.200 0.132 0.000 1.010 25 S HN 0.492 nan 8.310 nan 0.000 0.482 26 I N 3.689 124.486 120.570 0.377 0.000 2.474 26 I HA 0.727 4.897 4.170 0.001 0.000 0.294 26 I C 0.600 176.993 176.117 0.460 0.000 1.005 26 I CA -0.220 61.297 61.300 0.363 0.000 1.113 26 I CB 1.747 39.909 38.000 0.268 0.000 1.289 26 I HN 0.900 nan 8.210 nan 0.000 0.436 27 G N 3.649 112.685 108.800 0.393 0.000 2.661 27 G HA2 -0.107 3.854 3.960 0.001 0.000 0.685 27 G HA3 -0.107 3.854 3.960 0.001 0.000 0.685 27 G C -0.699 174.340 174.900 0.231 0.000 1.298 27 G CA -0.935 44.396 45.100 0.384 0.000 0.855 27 G HN 0.565 nan 8.290 nan 0.000 0.560 28 T N 3.667 118.328 114.554 0.178 0.000 2.864 28 T HA 0.666 5.017 4.350 0.001 0.000 0.299 28 T C -2.167 172.581 174.700 0.080 0.000 1.011 28 T CA -0.446 61.723 62.100 0.115 0.000 0.975 28 T CB 2.436 71.363 68.868 0.099 0.000 0.962 28 T HN 0.663 nan 8.240 nan 0.000 0.448 29 P HA 0.290 nan 4.420 nan 0.000 0.276 29 P C 0.441 177.798 177.300 0.096 0.000 1.252 29 P CA -0.334 62.805 63.100 0.066 0.000 0.802 29 P CB 0.616 32.339 31.700 0.038 0.000 1.035 30 G N 1.124 109.983 108.800 0.099 0.000 2.305 30 G HA2 0.040 4.001 3.960 0.001 0.000 0.243 30 G HA3 0.040 4.001 3.960 0.001 0.000 0.243 30 G C -0.343 174.628 174.900 0.118 0.000 1.288 30 G CA -0.244 44.935 45.100 0.133 0.000 0.901 30 G HN 0.470 nan 8.290 nan 0.000 0.516 31 Q N 1.947 121.868 119.800 0.202 0.000 2.372 31 Q HA 0.138 4.479 4.340 0.001 0.000 0.259 31 Q C -0.840 175.138 176.000 -0.038 0.000 0.993 31 Q CA -0.716 55.151 55.803 0.106 0.000 0.854 31 Q CB 1.753 30.702 28.738 0.350 0.000 1.231 31 Q HN 0.564 nan 8.270 nan 0.000 0.462 32 D N 2.725 122.989 120.400 -0.227 0.000 2.425 32 D HA 0.193 4.834 4.640 0.001 0.000 0.247 32 D C -0.596 175.376 176.300 -0.546 0.000 1.147 32 D CA 0.890 54.757 54.000 -0.222 0.000 0.879 32 D CB 0.483 41.203 40.800 -0.134 0.000 1.179 32 D HN 0.246 nan 8.370 nan 0.000 0.456 33 F N 0.739 120.731 119.950 0.070 0.000 2.601 33 F HA 0.289 4.817 4.527 0.001 0.000 0.309 33 F C -0.451 175.368 175.800 0.032 0.000 1.089 33 F CA -1.113 56.921 58.000 0.056 0.000 0.940 33 F CB 1.384 40.427 39.000 0.072 0.000 1.273 33 F HN 0.028 nan 8.300 nan 0.000 0.450 34 L N 3.885 125.233 121.223 0.209 0.000 2.287 34 L HA 0.637 4.978 4.340 0.001 0.000 0.287 34 L C -1.137 175.768 176.870 0.058 0.000 1.022 34 L CA -0.529 54.370 54.840 0.100 0.000 0.814 34 L CB 0.986 43.084 42.059 0.064 0.000 1.217 34 L HN 0.457 nan 8.230 nan 0.000 0.420 35 L N 5.132 126.355 121.223 -0.000 0.000 2.346 35 L HA 0.470 4.810 4.340 0.001 0.000 0.274 35 L C -0.378 176.433 176.870 -0.098 0.000 1.007 35 L CA -0.890 53.916 54.840 -0.056 0.000 0.818 35 L CB 2.153 44.224 42.059 0.021 0.000 1.284 35 L HN 0.466 nan 8.230 nan 0.000 0.424 36 L N 2.891 124.027 121.223 -0.144 0.000 2.407 36 L HA 0.186 4.526 4.340 0.001 0.000 0.282 36 L C -0.374 176.490 176.870 -0.011 0.000 1.110 36 L CA -0.273 54.490 54.840 -0.129 0.000 0.863 36 L CB 0.136 42.073 42.059 -0.203 0.000 1.207 36 L HN 0.423 nan 8.230 nan 0.000 0.454 37 F N 4.961 124.829 119.950 -0.137 0.000 2.516 37 F HA 0.059 4.587 4.527 0.001 0.000 0.351 37 F C 0.313 176.128 175.800 0.026 0.000 1.208 37 F CA -0.093 57.882 58.000 -0.042 0.000 1.073 37 F CB -0.014 38.928 39.000 -0.097 0.000 1.203 37 F HN 0.446 nan 8.300 nan 0.000 0.602 38 D N 4.116 124.385 120.400 -0.218 0.000 2.454 38 D HA 0.106 4.747 4.640 0.001 0.000 0.225 38 D C 0.939 177.108 176.300 -0.217 0.000 1.081 38 D CA -0.182 53.720 54.000 -0.164 0.000 0.864 38 D CB 1.034 41.774 40.800 -0.100 0.000 1.040 38 D HN 0.567 nan 8.370 nan 0.000 0.517 39 T N 0.004 114.448 114.554 -0.183 0.000 3.194 39 T HA 0.181 4.531 4.350 0.001 0.000 0.251 39 T C 1.298 176.157 174.700 0.264 0.000 1.132 39 T CA -0.094 61.967 62.100 -0.065 0.000 1.028 39 T CB 0.224 68.983 68.868 -0.182 0.000 0.976 39 T HN 0.296 nan 8.240 nan 0.000 0.535 40 G N 0.024 108.970 108.800 0.244 0.000 3.651 40 G HA2 0.463 4.424 3.960 0.001 0.000 0.279 40 G HA3 0.463 4.424 3.960 0.001 0.000 0.279 40 G C -0.109 175.042 174.900 0.419 0.000 1.024 40 G CA -0.188 45.180 45.100 0.448 0.000 0.813 40 G HN 0.560 nan 8.290 nan 0.000 0.518 41 S N -1.391 114.450 115.700 0.235 0.000 2.579 41 S HA 0.611 5.081 4.470 0.001 0.000 0.272 41 S C 0.374 175.024 174.600 0.084 0.000 1.141 41 S CA -0.151 58.173 58.200 0.206 0.000 0.843 41 S CB 1.765 65.129 63.200 0.274 0.000 1.122 41 S HN -0.074 nan 8.310 nan 0.000 0.468 42 S N 0.936 116.670 115.700 0.056 0.000 2.549 42 S HA 0.283 4.754 4.470 0.001 0.000 0.225 42 S C -0.522 174.081 174.600 0.005 0.000 1.039 42 S CA -0.275 57.913 58.200 -0.021 0.000 0.942 42 S CB 0.070 63.207 63.200 -0.106 0.000 0.881 42 S HN 0.756 nan 8.310 nan 0.000 0.503 43 D N 2.593 123.067 120.400 0.123 0.000 2.210 43 D HA 0.264 4.905 4.640 0.001 0.000 0.249 43 D C -0.637 175.715 176.300 0.087 0.000 1.078 43 D CA 0.374 54.505 54.000 0.218 0.000 0.875 43 D CB 1.428 42.415 40.800 0.312 0.000 1.175 43 D HN -0.016 nan 8.370 nan 0.000 0.440 44 T N 3.594 118.122 114.554 -0.044 0.000 2.767 44 T HA 0.425 4.775 4.350 0.001 0.000 0.284 44 T C -0.282 174.374 174.700 -0.073 0.000 0.973 44 T CA -0.823 61.154 62.100 -0.206 0.000 0.996 44 T CB 0.773 69.430 68.868 -0.352 0.000 0.927 44 T HN 0.365 nan 8.240 nan 0.000 0.456 45 W N 2.490 123.700 121.300 -0.150 0.000 3.107 45 W HA 0.713 5.374 4.660 0.001 0.000 0.331 45 W C -1.534 174.906 176.519 -0.131 0.000 1.204 45 W CA -1.381 55.873 57.345 -0.153 0.000 1.184 45 W CB 0.540 29.937 29.460 -0.106 0.000 1.421 45 W HN 0.519 nan 8.180 nan 0.000 0.544 46 V N -0.949 119.115 119.914 0.250 0.000 2.914 46 V HA 0.686 4.806 4.120 0.001 0.000 0.314 46 V C -2.519 173.809 176.094 0.389 0.000 1.084 46 V CA -3.056 59.267 62.300 0.040 0.000 0.963 46 V CB 1.876 33.269 31.823 -0.716 0.000 1.025 46 V HN 0.368 nan 8.190 nan 0.000 0.432 47 P HA 0.133 nan 4.420 nan 0.000 0.271 47 P C -0.688 176.969 177.300 0.596 0.000 1.216 47 P CA 0.272 63.664 63.100 0.487 0.000 0.771 47 P CB 0.301 32.196 31.700 0.324 0.000 0.864 48 H N 1.958 121.288 119.070 0.434 0.000 2.548 48 H HA 0.283 4.839 4.556 0.001 0.000 0.331 48 H C 0.332 175.798 175.328 0.230 0.000 1.093 48 H CA -0.577 55.608 56.048 0.229 0.000 1.367 48 H CB 0.749 30.483 29.762 -0.046 0.000 1.455 48 H HN 0.372 nan 8.280 nan 0.000 0.519 49 K N 2.355 122.573 120.400 -0.304 0.000 2.447 49 K HA 0.250 4.570 4.320 0.001 0.000 0.281 49 K C 1.090 177.306 176.600 -0.641 0.000 1.031 49 K CA 0.203 56.210 56.287 -0.466 0.000 1.019 49 K CB -0.239 32.004 32.500 -0.427 0.000 0.918 49 K HN 0.956 nan 8.250 nan 0.000 0.476 50 G N -0.159 108.339 108.800 -0.503 0.000 2.296 50 G HA2 -0.159 3.801 3.960 0.001 0.000 0.188 50 G HA3 -0.159 3.801 3.960 0.001 0.000 0.188 50 G C 0.485 175.306 174.900 -0.132 0.000 1.000 50 G CA 0.005 44.928 45.100 -0.295 0.000 0.672 50 G HN 1.485 nan 8.290 nan 0.000 0.483 51 c N 3.945 122.503 118.600 -0.071 0.000 2.303 51 c HA 0.763 5.333 4.570 0.001 0.000 0.341 51 c C 1.314 175.463 174.090 0.098 0.000 1.244 51 c CA 0.665 57.067 56.329 0.121 0.000 1.765 51 c CB -0.762 41.938 42.510 0.318 0.000 2.379 51 c HN 0.767 nan 8.230 nan 0.000 0.530 52 T N 2.692 117.293 114.554 0.080 0.000 2.881 52 T HA 0.478 4.829 4.350 0.001 0.000 0.278 52 T C 1.299 176.092 174.700 0.154 0.000 0.982 52 T CA 0.050 62.197 62.100 0.079 0.000 0.989 52 T CB 1.115 70.000 68.868 0.028 0.000 1.058 52 T HN 0.859 nan 8.240 nan 0.000 0.529 53 K N 0.728 121.213 120.400 0.143 0.000 2.113 53 K HA -0.150 4.171 4.320 0.001 0.000 0.208 53 K C 2.625 179.297 176.600 0.120 0.000 1.047 53 K CA 2.380 58.754 56.287 0.146 0.000 0.928 53 K CB -1.738 30.830 32.500 0.113 0.000 0.716 53 K HN 0.850 nan 8.250 nan 0.000 0.446 54 S N 1.060 116.815 115.700 0.092 0.000 2.368 54 S HA -0.150 4.320 4.470 0.001 0.000 0.225 54 S C 1.770 176.420 174.600 0.084 0.000 1.030 54 S CA 1.348 59.593 58.200 0.075 0.000 0.999 54 S CB -0.163 63.070 63.200 0.055 0.000 0.844 54 S HN 0.758 nan 8.310 nan 0.000 0.459 55 E N 1.207 121.465 120.200 0.096 0.000 2.512 55 E HA 0.270 4.620 4.350 0.001 0.000 0.195 55 E C 1.105 177.779 176.600 0.123 0.000 1.083 55 E CA 0.196 56.656 56.400 0.100 0.000 0.873 55 E CB -0.314 29.449 29.700 0.105 0.000 0.897 55 E HN 0.757 nan 8.360 nan 0.000 0.514 56 G N 0.640 109.524 108.800 0.139 0.000 2.159 56 G HA2 -0.259 3.702 3.960 0.001 0.000 0.227 56 G HA3 -0.259 3.702 3.960 0.001 0.000 0.227 56 G C 0.157 175.187 174.900 0.215 0.000 0.986 56 G CA -0.212 44.983 45.100 0.158 0.000 0.651 56 G HN 0.329 nan 8.290 nan 0.000 0.523 57 c N 2.120 120.870 118.600 0.251 0.000 2.248 57 c HA 0.549 5.120 4.570 0.001 0.000 0.320 57 c C 1.763 176.036 174.090 0.304 0.000 1.065 57 c CA -0.026 56.497 56.329 0.323 0.000 1.558 57 c CB -0.160 42.666 42.510 0.527 0.000 1.787 57 c HN 0.892 nan 8.230 nan 0.000 0.426 58 V N 1.125 121.196 119.914 0.263 0.000 3.596 58 V HA 0.377 4.498 4.120 0.001 0.000 0.289 58 V C 1.069 177.159 176.094 -0.007 0.000 1.336 58 V CA 0.573 62.992 62.300 0.199 0.000 1.137 58 V CB -0.672 31.296 31.823 0.241 0.000 0.966 58 V HN 0.656 nan 8.190 nan 0.000 0.428 59 G N 0.901 109.599 108.800 -0.170 0.000 2.525 59 G HA2 0.434 4.395 3.960 0.001 0.000 0.287 59 G HA3 0.434 4.395 3.960 0.001 0.000 0.287 59 G C 0.796 175.406 174.900 -0.483 0.000 1.350 59 G CA 0.319 44.925 45.100 -0.823 0.000 1.039 59 G HN 0.609 nan 8.290 nan 0.000 0.513 60 S N -1.661 113.749 115.700 -0.483 0.000 2.527 60 S HA 0.202 4.673 4.470 0.001 0.000 0.227 60 S C 0.980 175.519 174.600 -0.102 0.000 1.059 60 S CA -0.293 57.807 58.200 -0.166 0.000 0.919 60 S CB 0.229 63.333 63.200 -0.160 0.000 0.805 60 S HN 0.411 nan 8.310 nan 0.000 0.500 61 R N 0.785 121.131 120.500 -0.257 0.000 2.221 61 R HA 0.611 4.952 4.340 0.001 0.000 0.327 61 R C -1.379 174.829 176.300 -0.155 0.000 1.033 61 R CA -0.171 55.842 56.100 -0.146 0.000 0.887 61 R CB 0.519 30.706 30.300 -0.187 0.000 1.057 61 R HN 0.269 nan 8.270 nan 0.000 0.455 62 F N 1.297 121.375 119.950 0.213 0.000 2.712 62 F HA 0.460 4.987 4.527 0.001 0.000 0.367 62 F C -0.415 175.719 175.800 0.557 0.000 1.132 62 F CA -1.033 57.185 58.000 0.363 0.000 1.066 62 F CB 0.889 39.970 39.000 0.135 0.000 1.416 62 F HN 0.261 nan 8.300 nan 0.000 0.515 63 F N 1.443 121.712 119.950 0.533 0.000 2.449 63 F HA 0.406 4.933 4.527 0.001 0.000 0.342 63 F C -0.813 175.039 175.800 0.087 0.000 1.127 63 F CA -0.842 57.407 58.000 0.416 0.000 0.975 63 F CB 0.793 39.998 39.000 0.342 0.000 1.146 63 F HN 0.254 nan 8.300 nan 0.000 0.444 64 D N 8.316 128.321 120.400 -0.659 0.000 2.427 64 D HA 0.376 5.017 4.640 0.001 0.000 0.226 64 D C -2.113 173.512 176.300 -1.124 0.000 1.076 64 D CA -2.472 51.101 54.000 -0.711 0.000 0.849 64 D CB 2.097 42.652 40.800 -0.408 0.000 1.052 64 D HN 0.244 nan 8.370 nan 0.000 0.515 65 P HA -0.108 nan 4.420 nan 0.000 0.220 65 P C 1.216 178.026 177.300 -0.815 0.000 1.148 65 P CA 0.862 63.112 63.100 -1.415 0.000 0.803 65 P CB 0.233 30.817 31.700 -1.860 0.000 0.782 66 S N -0.861 114.516 115.700 -0.539 0.000 2.474 66 S HA 0.001 4.471 4.470 0.001 0.000 0.235 66 S C 1.878 176.339 174.600 -0.233 0.000 0.997 66 S CA 0.893 58.908 58.200 -0.308 0.000 0.949 66 S CB -1.040 62.021 63.200 -0.232 0.000 0.766 66 S HN 0.100 nan 8.310 nan 0.000 0.517 67 A N 0.686 123.338 122.820 -0.281 0.000 2.238 67 A HA 0.435 4.755 4.320 0.001 0.000 0.210 67 A C 1.163 178.677 177.584 -0.117 0.000 1.179 67 A CA 0.176 52.105 52.037 -0.180 0.000 0.827 67 A CB -0.128 18.760 19.000 -0.186 0.000 0.856 67 A HN 0.421 nan 8.150 nan 0.000 0.488 68 S N 0.354 115.975 115.700 -0.132 0.000 2.448 68 S HA 0.327 4.797 4.470 0.001 0.000 0.320 68 S C 1.220 175.869 174.600 0.082 0.000 1.071 68 S CA 0.064 58.281 58.200 0.029 0.000 1.113 68 S CB 0.642 63.936 63.200 0.157 0.000 0.972 68 S HN 0.545 nan 8.310 nan 0.000 0.465 69 S N 2.891 118.638 115.700 0.078 0.000 2.555 69 S HA -0.063 4.407 4.470 0.001 0.000 0.230 69 S C 1.195 175.865 174.600 0.117 0.000 0.978 69 S CA 0.899 59.146 58.200 0.078 0.000 0.934 69 S CB -0.545 62.688 63.200 0.054 0.000 0.766 69 S HN 0.803 nan 8.310 nan 0.000 0.533 70 T N -1.493 113.157 114.554 0.161 0.000 3.129 70 T HA 0.371 4.721 4.350 0.001 0.000 0.267 70 T C -0.173 174.664 174.700 0.229 0.000 1.018 70 T CA -0.675 61.524 62.100 0.165 0.000 0.903 70 T CB -0.590 68.364 68.868 0.144 0.000 1.067 70 T HN 0.316 nan 8.240 nan 0.000 0.549 71 F N 2.834 122.847 119.950 0.105 0.000 2.427 71 F HA 0.533 5.061 4.527 0.001 0.000 0.352 71 F C 0.267 176.136 175.800 0.114 0.000 1.100 71 F CA -0.715 57.358 58.000 0.122 0.000 1.191 71 F CB 0.729 39.761 39.000 0.054 0.000 1.128 71 F HN -0.081 nan 8.300 nan 0.000 0.533 72 K N 5.975 126.218 120.400 -0.261 0.000 2.640 72 K HA 0.645 4.966 4.320 0.001 0.000 0.245 72 K C -0.970 175.433 176.600 -0.328 0.000 0.962 72 K CA -0.734 55.472 56.287 -0.136 0.000 0.896 72 K CB 1.125 33.596 32.500 -0.049 0.000 1.147 72 K HN 0.785 nan 8.250 nan 0.000 0.445 73 A N 2.337 125.063 122.820 -0.158 0.000 2.406 73 A HA 0.351 4.671 4.320 0.001 0.000 0.243 73 A C 0.191 177.756 177.584 -0.031 0.000 1.082 73 A CA 0.109 52.119 52.037 -0.045 0.000 0.786 73 A CB 0.277 19.416 19.000 0.231 0.000 1.029 73 A HN 0.808 nan 8.150 nan 0.000 0.495 74 T N -1.553 112.993 114.554 -0.014 0.000 2.907 74 T HA 0.429 4.780 4.350 0.001 0.000 0.290 74 T C 0.864 175.522 174.700 -0.069 0.000 1.066 74 T CA -0.307 61.766 62.100 -0.046 0.000 1.012 74 T CB 1.288 70.154 68.868 -0.003 0.000 1.184 74 T HN 0.701 nan 8.240 nan 0.000 0.522 75 N N -0.442 118.131 118.700 -0.211 0.000 2.250 75 N HA -0.084 4.656 4.740 0.001 0.000 0.181 75 N C -0.070 175.296 175.510 -0.240 0.000 1.017 75 N CA 0.571 53.468 53.050 -0.256 0.000 0.866 75 N CB -0.897 37.339 38.487 -0.417 0.000 0.985 75 N HN 0.685 nan 8.380 nan 0.000 0.429 76 Y N 2.362 122.503 120.300 -0.265 0.000 2.729 76 Y HA 0.060 4.611 4.550 0.001 0.000 0.331 76 Y C 1.026 176.950 175.900 0.041 0.000 1.208 76 Y CA -0.134 57.712 58.100 -0.423 0.000 1.521 76 Y CB -0.273 37.817 38.460 -0.617 0.000 1.233 76 Y HN 0.034 nan 8.280 nan 0.000 0.539 77 N N 2.697 121.629 118.700 0.386 0.000 2.495 77 N HA 0.373 5.113 4.740 0.001 0.000 0.280 77 N C -1.335 174.395 175.510 0.366 0.000 1.168 77 N CA -0.847 52.388 53.050 0.309 0.000 0.978 77 N CB 1.774 40.408 38.487 0.245 0.000 1.191 77 N HN 0.379 nan 8.380 nan 0.000 0.497 78 L N 1.617 122.833 121.223 -0.012 0.000 2.280 78 L HA 0.384 4.724 4.340 0.001 0.000 0.287 78 L C -1.230 175.578 176.870 -0.103 0.000 1.023 78 L CA -0.268 54.458 54.840 -0.191 0.000 0.819 78 L CB 0.284 41.984 42.059 -0.597 0.000 1.212 78 L HN 0.472 nan 8.230 nan 0.000 0.420 79 N N 6.092 124.772 118.700 -0.034 0.000 2.504 79 N HA 0.621 5.362 4.740 0.001 0.000 0.280 79 N C -1.363 174.088 175.510 -0.099 0.000 1.052 79 N CA -0.410 52.598 53.050 -0.070 0.000 0.887 79 N CB 1.970 40.435 38.487 -0.035 0.000 1.323 79 N HN 0.547 nan 8.380 nan 0.000 0.509 80 I N 0.867 121.333 120.570 -0.174 0.000 2.865 80 I HA 0.553 4.724 4.170 0.001 0.000 0.302 80 I C -1.113 174.801 176.117 -0.338 0.000 1.140 80 I CA -0.463 60.679 61.300 -0.263 0.000 1.021 80 I CB 2.281 40.075 38.000 -0.344 0.000 1.233 80 I HN 0.356 nan 8.210 nan 0.000 0.427 81 T N 4.625 118.944 114.554 -0.391 0.000 2.879 81 T HA 0.521 4.872 4.350 0.001 0.000 0.290 81 T C -1.225 173.256 174.700 -0.364 0.000 0.993 81 T CA -0.367 61.556 62.100 -0.294 0.000 0.975 81 T CB 0.857 69.656 68.868 -0.116 0.000 0.981 81 T HN 0.245 nan 8.240 nan 0.000 0.439 82 Y N 0.393 120.743 120.300 0.084 0.000 2.496 82 Y HA 0.562 5.113 4.550 0.001 0.000 0.331 82 Y C 1.651 177.601 175.900 0.083 0.000 1.140 82 Y CA -0.840 57.322 58.100 0.104 0.000 1.166 82 Y CB 0.924 39.459 38.460 0.125 0.000 1.249 82 Y HN 0.758 nan 8.280 nan 0.000 0.479 83 G N -0.279 108.673 108.800 0.252 0.000 2.448 83 G HA2 -0.153 3.807 3.960 0.001 0.000 0.219 83 G HA3 -0.153 3.807 3.960 0.001 0.000 0.219 83 G C 1.068 176.055 174.900 0.145 0.000 1.127 83 G CA 1.394 46.586 45.100 0.153 0.000 0.766 83 G HN 0.876 nan 8.290 nan 0.000 0.552 84 T N -1.327 113.339 114.554 0.186 0.000 3.129 84 T HA 0.603 4.953 4.350 0.001 0.000 0.267 84 T C 0.827 175.631 174.700 0.173 0.000 1.018 84 T CA 0.961 63.148 62.100 0.144 0.000 0.903 84 T CB 0.345 nan 68.868 nan 0.000 1.067 84 T HN 0.789 nan 8.240 nan 0.000 0.549 85 G N -0.972 107.978 108.800 0.250 0.000 2.435 85 G HA2 0.670 4.631 3.960 0.001 0.000 0.228 85 G HA3 0.670 4.631 3.960 0.001 0.000 0.228 85 G C -0.530 174.524 174.900 0.258 0.000 1.198 85 G CA 0.235 45.493 45.100 0.264 0.000 0.948 85 G HN 1.141 nan 8.290 nan 0.000 0.487 86 G N -1.751 107.218 108.800 0.282 0.000 2.355 86 G HA2 0.805 4.766 3.960 0.001 0.000 0.296 86 G HA3 0.805 4.766 3.960 0.001 0.000 0.296 86 G C -1.133 173.790 174.900 0.037 0.000 1.507 86 G CA 0.816 45.956 45.100 0.067 0.000 0.823 86 G HN 2.220 nan 8.290 nan 0.000 0.569 87 A N 0.548 123.297 122.820 -0.117 0.000 2.605 87 A HA 0.846 5.167 4.320 0.001 0.000 0.294 87 A C -1.490 175.941 177.584 -0.255 0.000 1.062 87 A CA -0.858 51.037 52.037 -0.237 0.000 0.682 87 A CB 1.788 20.459 19.000 -0.549 0.000 1.278 87 A HN 0.732 nan 8.150 nan 0.000 0.410 88 N N 0.093 118.665 118.700 -0.215 0.000 2.295 88 N HA 0.756 5.496 4.740 0.001 0.000 0.293 88 N C -0.037 175.385 175.510 -0.146 0.000 1.040 88 N CA 0.354 53.310 53.050 -0.156 0.000 0.840 88 N CB 2.297 40.741 38.487 -0.072 0.000 1.468 88 N HN 1.208 nan 8.380 nan 0.000 0.478 89 G N 0.480 109.176 108.800 -0.173 0.000 2.694 89 G HA2 0.449 4.409 3.960 0.001 0.000 0.246 89 G HA3 0.449 4.409 3.960 0.001 0.000 0.246 89 G C -2.017 172.719 174.900 -0.273 0.000 1.205 89 G CA -0.264 44.739 45.100 -0.161 0.000 0.891 89 G HN 0.362 nan 8.290 nan 0.000 0.515 90 L N 0.061 120.951 121.223 -0.555 0.000 2.455 90 L HA 0.637 4.977 4.340 0.001 0.000 0.264 90 L C -1.451 175.112 176.870 -0.513 0.000 0.968 90 L CA -0.705 53.834 54.840 -0.502 0.000 0.827 90 L CB 1.798 43.511 42.059 -0.577 0.000 1.317 90 L HN 0.647 nan 8.230 nan 0.000 0.407 91 Y N 4.365 124.499 120.300 -0.276 0.000 2.336 91 Y HA 0.399 4.949 4.550 0.001 0.000 0.331 91 Y C 0.341 176.082 175.900 -0.265 0.000 1.211 91 Y CA 0.375 58.271 58.100 -0.339 0.000 1.346 91 Y CB 0.954 39.243 38.460 -0.285 0.000 1.271 91 Y HN 0.510 nan 8.280 nan 0.000 0.538 92 F N -1.176 118.674 119.950 -0.166 0.000 2.726 92 F HA 0.673 5.200 4.527 0.001 0.000 0.324 92 F C -1.318 174.284 175.800 -0.330 0.000 1.140 92 F CA -1.710 56.082 58.000 -0.347 0.000 0.964 92 F CB 1.579 40.234 39.000 -0.574 0.000 1.399 92 F HN 0.365 nan 8.300 nan 0.000 0.491 93 E N 0.872 121.053 120.200 -0.030 0.000 2.222 93 E HA 0.500 4.851 4.350 0.001 0.000 0.267 93 E C -1.954 174.728 176.600 0.137 0.000 0.884 93 E CA -0.474 55.898 56.400 -0.046 0.000 0.764 93 E CB 1.737 31.384 29.700 -0.089 0.000 1.169 93 E HN 0.738 nan 8.360 nan 0.000 0.413 94 D N 1.002 121.495 120.400 0.154 0.000 2.738 94 D HA 0.212 4.852 4.640 0.001 0.000 0.308 94 D C -1.402 174.985 176.300 0.145 0.000 1.311 94 D CA -0.423 53.719 54.000 0.237 0.000 0.799 94 D CB 1.908 42.999 40.800 0.485 0.000 1.332 94 D HN 0.333 nan 8.370 nan 0.000 0.441 95 S N 0.336 116.132 115.700 0.161 0.000 2.541 95 S HA 0.654 5.125 4.470 0.001 0.000 0.283 95 S C -0.040 174.632 174.600 0.120 0.000 1.196 95 S CA -0.576 57.689 58.200 0.107 0.000 1.062 95 S CB 0.929 64.189 63.200 0.100 0.000 1.009 95 S HN 0.354 nan 8.310 nan 0.000 0.502 96 I N 2.232 122.846 120.570 0.074 0.000 2.447 96 I HA 0.631 4.802 4.170 0.001 0.000 0.287 96 I C -0.620 175.536 176.117 0.065 0.000 1.023 96 I CA -0.781 60.569 61.300 0.083 0.000 1.083 96 I CB 1.045 39.076 38.000 0.052 0.000 1.245 96 I HN 0.699 nan 8.210 nan 0.000 0.434 97 A N 8.515 131.385 122.820 0.084 0.000 2.274 97 A HA 0.740 5.061 4.320 0.001 0.000 0.309 97 A C -0.758 176.856 177.584 0.050 0.000 1.226 97 A CA -0.404 51.668 52.037 0.058 0.000 0.853 97 A CB 0.368 19.407 19.000 0.066 0.000 1.146 97 A HN 0.697 nan 8.150 nan 0.000 0.518 98 I N 2.985 123.562 120.570 0.012 0.000 2.418 98 I HA 0.525 4.695 4.170 0.001 0.000 0.287 98 I C 1.073 177.193 176.117 0.004 0.000 1.008 98 I CA 0.208 61.504 61.300 -0.007 0.000 1.104 98 I CB 1.613 39.555 38.000 -0.097 0.000 1.264 98 I HN 1.065 nan 8.210 nan 0.000 0.438 99 G N 5.837 114.649 108.800 0.021 0.000 2.596 99 G HA2 -0.326 3.634 3.960 0.001 0.000 0.304 99 G HA3 -0.326 3.634 3.960 0.001 0.000 0.304 99 G C 0.563 175.480 174.900 0.028 0.000 1.189 99 G CA 0.614 45.731 45.100 0.028 0.000 0.986 99 G HN 0.735 nan 8.290 nan 0.000 0.548 100 D N 0.244 120.663 120.400 0.031 0.000 2.355 100 D HA 0.214 4.855 4.640 0.001 0.000 0.206 100 D C 1.239 177.555 176.300 0.026 0.000 1.010 100 D CA 0.372 54.390 54.000 0.029 0.000 0.875 100 D CB 0.440 41.259 40.800 0.031 0.000 0.966 100 D HN 0.388 nan 8.370 nan 0.000 0.512 101 I N 0.953 121.535 120.570 0.020 0.000 2.677 101 I HA 0.209 4.379 4.170 0.001 0.000 0.305 101 I C 0.346 176.468 176.117 0.008 0.000 0.988 101 I CA -0.149 61.159 61.300 0.012 0.000 1.260 101 I CB 1.898 39.901 38.000 0.004 0.000 1.410 101 I HN -0.142 nan 8.210 nan 0.000 0.523 102 T N 4.252 118.812 114.554 0.010 0.000 2.879 102 T HA 0.637 4.988 4.350 0.001 0.000 0.290 102 T C -0.952 173.751 174.700 0.005 0.000 0.993 102 T CA -0.622 61.488 62.100 0.016 0.000 0.975 102 T CB 0.730 69.619 68.868 0.035 0.000 0.981 102 T HN 0.221 nan 8.240 nan 0.000 0.439 103 V N 5.485 125.395 119.914 -0.006 0.000 2.509 103 V HA 0.581 4.702 4.120 0.001 0.000 0.284 103 V C 1.162 177.252 176.094 -0.005 0.000 1.047 103 V CA -0.565 61.724 62.300 -0.019 0.000 0.952 103 V CB 1.439 33.234 31.823 -0.047 0.000 0.988 103 V HN 1.130 nan 8.190 nan 0.000 0.469 104 T N 0.898 115.447 114.554 -0.008 0.000 2.936 104 T HA 0.486 4.837 4.350 0.001 0.000 0.282 104 T C 0.069 174.759 174.700 -0.017 0.000 1.003 104 T CA -0.926 61.174 62.100 0.001 0.000 1.005 104 T CB 0.802 69.673 68.868 0.005 0.000 1.097 104 T HN 0.631 nan 8.240 nan 0.000 0.532 105 K N -0.329 120.065 120.400 -0.010 0.000 3.213 105 K HA -0.216 4.104 4.320 0.001 0.000 0.266 105 K C -0.199 176.359 176.600 -0.070 0.000 0.911 105 K CA 0.377 56.644 56.287 -0.032 0.000 0.684 105 K CB -1.246 31.235 32.500 -0.032 0.000 1.402 105 K HN 0.669 nan 8.250 nan 0.000 0.465 106 Q N 1.312 121.066 119.800 -0.078 0.000 2.278 106 Q HA 0.284 4.624 4.340 0.001 0.000 0.257 106 Q C -0.177 175.681 176.000 -0.236 0.000 0.928 106 Q CA -0.576 55.144 55.803 -0.139 0.000 0.932 106 Q CB 0.771 29.441 28.738 -0.113 0.000 1.221 106 Q HN 0.218 nan 8.270 nan 0.000 0.434 107 I N 6.202 126.558 120.570 -0.357 0.000 2.496 107 I HA 0.182 4.353 4.170 0.001 0.000 0.285 107 I C 0.184 175.915 176.117 -0.644 0.000 1.080 107 I CA 0.201 61.156 61.300 -0.575 0.000 1.404 107 I CB -0.195 37.250 38.000 -0.924 0.000 1.403 107 I HN 0.738 nan 8.210 nan 0.000 0.539 108 L N 4.877 125.653 121.223 -0.744 0.000 2.441 108 L HA 0.904 5.245 4.340 0.001 0.000 0.240 108 L C -0.589 175.770 176.870 -0.852 0.000 1.145 108 L CA -0.829 53.565 54.840 -0.744 0.000 1.025 108 L CB 1.655 43.200 42.059 -0.857 0.000 1.585 108 L HN 0.634 nan 8.230 nan 0.000 0.410 109 A N -0.396 121.986 122.820 -0.729 0.000 2.574 109 A HA 0.737 5.058 4.320 0.001 0.000 0.297 109 A C -2.100 175.465 177.584 -0.033 0.000 1.062 109 A CA -0.400 51.316 52.037 -0.535 0.000 0.686 109 A CB 1.463 20.104 19.000 -0.598 0.000 1.285 109 A HN 0.566 nan 8.150 nan 0.000 0.403 110 Y N 0.180 120.595 120.300 0.192 0.000 2.429 110 Y HA 0.760 5.310 4.550 0.001 0.000 0.342 110 Y C -0.279 175.694 175.900 0.122 0.000 1.004 110 Y CA -1.854 56.442 58.100 0.328 0.000 1.075 110 Y CB 0.931 39.726 38.460 0.558 0.000 1.214 110 Y HN 1.038 nan 8.280 nan 0.000 0.455 111 V N -0.101 120.066 119.914 0.420 0.000 2.667 111 V HA 0.525 4.646 4.120 0.001 0.000 0.308 111 V C -0.349 175.922 176.094 0.294 0.000 1.048 111 V CA -0.568 61.818 62.300 0.143 0.000 0.928 111 V CB 2.148 33.788 31.823 -0.306 0.000 1.004 111 V HN 0.908 nan 8.190 nan 0.000 0.444 112 D N 2.269 122.788 120.400 0.197 0.000 2.338 112 D HA 0.113 4.753 4.640 0.001 0.000 0.208 112 D C 0.168 176.554 176.300 0.144 0.000 0.997 112 D CA 1.178 55.311 54.000 0.222 0.000 0.880 112 D CB 0.469 41.386 40.800 0.194 0.000 0.980 112 D HN 0.919 nan 8.370 nan 0.000 0.509 113 N N -0.565 118.173 118.700 0.065 0.000 2.331 113 N HA 0.467 5.208 4.740 0.001 0.000 0.280 113 N C -1.474 174.026 175.510 -0.017 0.000 1.155 113 N CA -0.910 52.169 53.050 0.047 0.000 0.822 113 N CB 3.036 41.546 38.487 0.039 0.000 1.619 113 N HN -0.186 nan 8.380 nan 0.000 0.476 114 V N 0.434 120.364 119.914 0.027 0.000 2.924 114 V HA 0.634 4.755 4.120 0.001 0.000 0.300 114 V C -1.719 174.426 176.094 0.086 0.000 1.227 114 V CA -0.675 61.633 62.300 0.014 0.000 0.954 114 V CB 1.754 33.579 31.823 0.004 0.000 1.055 114 V HN 0.981 nan 8.190 nan 0.000 0.429 115 R N 4.959 125.517 120.500 0.096 0.000 2.435 115 R HA 0.902 5.243 4.340 0.001 0.000 0.308 115 R C -0.200 176.188 176.300 0.148 0.000 0.975 115 R CA -0.093 56.072 56.100 0.109 0.000 0.867 115 R CB 1.816 32.166 30.300 0.082 0.000 1.171 115 R HN 1.271 nan 8.270 nan 0.000 0.470 116 G N 2.632 111.516 108.800 0.141 0.000 2.348 116 G HA2 0.247 4.208 3.960 0.001 0.000 0.296 116 G HA3 0.247 4.208 3.960 0.001 0.000 0.296 116 G C -2.609 172.343 174.900 0.086 0.000 1.258 116 G CA -0.800 44.383 45.100 0.139 0.000 0.868 116 G HN 0.238 nan 8.290 nan 0.000 0.488 117 P HA -0.019 nan 4.420 nan 0.000 0.213 117 P C 2.323 179.599 177.300 -0.039 0.000 1.170 117 P CA 3.147 66.243 63.100 -0.007 0.000 0.893 117 P CB -0.235 31.436 31.700 -0.048 0.000 0.784 118 T N -2.074 112.451 114.554 -0.048 0.000 2.778 118 T HA -0.201 4.150 4.350 0.001 0.000 0.269 118 T C 1.868 176.554 174.700 -0.022 0.000 1.050 118 T CA 1.532 63.571 62.100 -0.103 0.000 1.137 118 T CB -1.252 67.599 68.868 -0.027 0.000 0.860 118 T HN 0.053 nan 8.240 nan 0.000 0.468 119 A N 1.758 124.627 122.820 0.082 0.000 1.898 119 A HA 0.363 4.684 4.320 0.001 0.000 0.214 119 A C 2.026 179.673 177.584 0.105 0.000 1.183 119 A CA 1.190 53.306 52.037 0.131 0.000 0.622 119 A CB -0.868 18.217 19.000 0.142 0.000 0.824 119 A HN 0.738 nan 8.150 nan 0.000 0.444 120 E N 0.211 120.450 120.200 0.064 0.000 2.232 120 E HA 0.464 4.815 4.350 0.001 0.000 0.296 120 E C -0.152 176.464 176.600 0.027 0.000 1.372 120 E CA -0.343 56.093 56.400 0.058 0.000 1.527 120 E CB -0.482 29.250 29.700 0.053 0.000 1.424 120 E HN 0.678 nan 8.360 nan 0.000 0.485 121 Q N -0.125 119.694 119.800 0.032 0.000 2.413 121 Q HA 0.537 4.878 4.340 0.001 0.000 0.276 121 Q C -0.604 175.474 176.000 0.130 0.000 1.099 121 Q CA -0.675 55.111 55.803 -0.029 0.000 0.814 121 Q CB 2.178 30.722 28.738 -0.322 0.000 1.379 121 Q HN 0.360 nan 8.270 nan 0.000 0.436 122 S N 2.783 118.563 115.700 0.133 0.000 2.455 122 S HA 0.212 4.683 4.470 0.001 0.000 0.278 122 S C -1.903 172.928 174.600 0.386 0.000 1.216 122 S CA -1.415 56.907 58.200 0.203 0.000 1.055 122 S CB 0.654 63.932 63.200 0.130 0.000 0.939 122 S HN 0.496 nan 8.310 nan 0.000 0.494 123 P HA -0.073 nan 4.420 nan 0.000 0.218 123 P C 0.911 178.240 177.300 0.047 0.000 1.146 123 P CA 1.441 64.615 63.100 0.124 0.000 0.813 123 P CB -0.077 31.643 31.700 0.034 0.000 0.778 124 N N -1.400 117.366 118.700 0.110 0.000 2.276 124 N HA 0.435 5.175 4.740 0.001 0.000 0.212 124 N C 0.610 176.188 175.510 0.113 0.000 1.127 124 N CA 0.182 53.277 53.050 0.075 0.000 0.834 124 N CB -0.429 38.089 38.487 0.051 0.000 1.014 124 N HN 0.190 nan 8.380 nan 0.000 0.491 125 A N 0.229 123.170 122.820 0.201 0.000 2.498 125 A HA 0.275 4.596 4.320 0.001 0.000 0.239 125 A C 1.358 179.016 177.584 0.124 0.000 1.068 125 A CA 0.401 52.537 52.037 0.165 0.000 0.766 125 A CB -0.029 19.079 19.000 0.180 0.000 1.003 125 A HN 0.463 nan 8.150 nan 0.000 0.497 126 D N 0.532 120.983 120.400 0.086 0.000 2.228 126 D HA -0.121 4.520 4.640 0.001 0.000 0.203 126 D C 0.434 176.760 176.300 0.044 0.000 0.988 126 D CA 1.794 55.830 54.000 0.061 0.000 0.864 126 D CB 0.048 40.890 40.800 0.070 0.000 0.928 126 D HN 0.511 nan 8.370 nan 0.000 0.469 127 I N -1.116 119.488 120.570 0.056 0.000 2.644 127 I HA 0.343 4.514 4.170 0.001 0.000 0.291 127 I C -1.881 174.284 176.117 0.080 0.000 1.180 127 I CA -1.055 60.261 61.300 0.026 0.000 1.040 127 I CB 1.462 39.441 38.000 -0.034 0.000 1.255 127 I HN -0.237 nan 8.210 nan 0.000 0.422 128 F N 7.873 127.789 119.950 -0.057 0.000 2.477 128 F HA 0.554 5.082 4.527 0.001 0.000 0.335 128 F C -1.150 174.618 175.800 -0.052 0.000 1.130 128 F CA -0.630 57.343 58.000 -0.046 0.000 0.948 128 F CB 1.457 40.434 39.000 -0.038 0.000 1.154 128 F HN 0.230 nan 8.300 nan 0.000 0.439 129 L N 6.544 127.612 121.223 -0.258 0.000 2.278 129 L HA 0.230 4.570 4.340 0.001 0.000 0.287 129 L C 0.657 177.489 176.870 -0.065 0.000 1.072 129 L CA -0.354 54.393 54.840 -0.155 0.000 0.819 129 L CB 0.657 42.570 42.059 -0.244 0.000 1.176 129 L HN 0.646 nan 8.230 nan 0.000 0.435 130 D N 2.526 122.992 120.400 0.111 0.000 2.183 130 D HA 0.033 4.674 4.640 0.001 0.000 0.203 130 D C 0.989 177.301 176.300 0.020 0.000 0.969 130 D CA 0.988 55.104 54.000 0.193 0.000 0.842 130 D CB 0.825 41.816 40.800 0.319 0.000 0.957 130 D HN 0.769 nan 8.370 nan 0.000 0.484 131 G N -0.429 108.231 108.800 -0.234 0.000 2.588 131 G HA2 0.425 4.385 3.960 0.001 0.000 0.281 131 G HA3 0.425 4.385 3.960 0.001 0.000 0.281 131 G C -1.790 172.589 174.900 -0.867 0.000 1.223 131 G CA -0.531 44.096 45.100 -0.788 0.000 0.871 131 G HN -0.045 nan 8.290 nan 0.000 0.492 132 L N 0.245 120.672 121.223 -1.325 0.000 2.342 132 L HA 0.660 5.001 4.340 0.001 0.000 0.271 132 L C -1.432 175.174 176.870 -0.440 0.000 1.008 132 L CA -0.538 53.819 54.840 -0.805 0.000 0.818 132 L CB 1.661 43.191 42.059 -0.883 0.000 1.296 132 L HN 0.569 nan 8.230 nan 0.000 0.427 133 F N 1.512 121.263 119.950 -0.332 0.000 2.430 133 F HA 0.625 5.152 4.527 0.001 0.000 0.362 133 F C 0.558 176.218 175.800 -0.233 0.000 1.103 133 F CA -0.688 57.188 58.000 -0.207 0.000 1.045 133 F CB 1.388 40.344 39.000 -0.073 0.000 1.276 133 F HN 0.460 nan 8.300 nan 0.000 0.444 134 G N 3.352 111.927 108.800 -0.375 0.000 2.380 134 G HA2 0.460 4.421 3.960 0.001 0.000 0.262 134 G HA3 0.460 4.421 3.960 0.001 0.000 0.262 134 G C -0.066 174.655 174.900 -0.298 0.000 1.243 134 G CA -0.061 44.898 45.100 -0.234 0.000 0.865 134 G HN 1.008 nan 8.290 nan 0.000 0.513 135 A N 1.773 124.477 122.820 -0.195 0.000 2.616 135 A HA 0.758 5.079 4.320 0.001 0.000 0.294 135 A C 1.093 178.771 177.584 0.156 0.000 1.091 135 A CA 0.559 52.504 52.037 -0.153 0.000 0.971 135 A CB -0.134 18.540 19.000 -0.543 0.000 1.222 135 A HN 1.175 nan 8.150 nan 0.000 0.521 136 A N -0.607 122.326 122.820 0.189 0.000 2.450 136 A HA 0.711 5.032 4.320 0.001 0.000 0.281 136 A C -0.425 177.202 177.584 0.072 0.000 1.372 136 A CA -0.363 51.829 52.037 0.259 0.000 0.886 136 A CB 0.020 19.103 19.000 0.138 0.000 1.462 136 A HN 0.349 nan 8.150 nan 0.000 0.514 137 Y N -0.327 119.891 120.300 -0.137 0.000 2.304 137 Y HA 0.279 4.830 4.550 0.001 0.000 0.327 137 Y C -1.425 174.318 175.900 -0.261 0.000 1.209 137 Y CA -1.163 56.808 58.100 -0.215 0.000 1.299 137 Y CB 0.378 38.635 38.460 -0.338 0.000 1.249 137 Y HN 0.453 nan 8.280 nan 0.000 0.519 138 P HA -0.221 nan 4.420 nan 0.000 0.217 138 P C 0.575 177.680 177.300 -0.325 0.000 1.148 138 P CA 1.827 64.748 63.100 -0.299 0.000 0.834 138 P CB 0.281 31.823 31.700 -0.263 0.000 0.783 139 D N -2.052 118.164 120.400 -0.307 0.000 2.363 139 D HA -0.054 4.587 4.640 0.001 0.000 0.226 139 D C 0.887 177.064 176.300 -0.204 0.000 1.020 139 D CA 0.677 54.461 54.000 -0.360 0.000 0.892 139 D CB -0.490 39.910 40.800 -0.667 0.000 0.900 139 D HN 0.165 nan 8.370 nan 0.000 0.531 140 N N 0.760 119.354 118.700 -0.177 0.000 2.380 140 N HA -0.026 4.715 4.740 0.001 0.000 0.255 140 N C -0.654 174.791 175.510 -0.107 0.000 1.158 140 N CA -0.120 52.874 53.050 -0.092 0.000 0.878 140 N CB 0.225 38.544 38.487 -0.280 0.000 1.138 140 N HN -0.065 nan 8.380 nan 0.000 0.509 141 T N -3.920 110.546 114.554 -0.147 0.000 2.922 141 T HA 0.528 4.879 4.350 0.001 0.000 0.285 141 T C 1.425 176.125 174.700 -0.000 0.000 1.005 141 T CA -0.463 61.563 62.100 -0.123 0.000 1.061 141 T CB 1.754 70.387 68.868 -0.393 0.000 1.007 141 T HN 0.066 nan 8.240 nan 0.000 0.502 142 A N 2.377 125.268 122.820 0.118 0.000 2.070 142 A HA -0.026 4.294 4.320 0.001 0.000 0.220 142 A C 2.153 179.867 177.584 0.216 0.000 1.159 142 A CA 1.450 53.572 52.037 0.142 0.000 0.656 142 A CB -0.866 18.221 19.000 0.145 0.000 0.800 142 A HN 0.967 nan 8.150 nan 0.000 0.453 143 M N -0.944 118.802 119.600 0.242 0.000 2.254 143 M HA -0.105 4.375 4.480 0.001 0.000 0.265 143 M C 1.959 178.303 176.300 0.074 0.000 1.066 143 M CA 2.082 57.467 55.300 0.141 0.000 1.123 143 M CB -0.086 32.322 32.600 -0.320 0.000 1.388 143 M HN 0.560 nan 8.290 nan 0.000 0.425 144 E N 0.329 120.514 120.200 -0.025 0.000 2.028 144 E HA -0.142 4.209 4.350 0.001 0.000 0.191 144 E C 1.856 178.464 176.600 0.013 0.000 0.988 144 E CA 1.577 57.961 56.400 -0.027 0.000 0.799 144 E CB -0.164 29.502 29.700 -0.058 0.000 0.755 144 E HN 0.559 nan 8.360 nan 0.000 0.447 145 A N 0.769 123.596 122.820 0.012 0.000 1.917 145 A HA -0.286 4.035 4.320 0.001 0.000 0.219 145 A C 2.154 179.712 177.584 -0.042 0.000 1.182 145 A CA 2.031 54.065 52.037 -0.005 0.000 0.633 145 A CB -0.623 18.372 19.000 -0.009 0.000 0.819 145 A HN 0.476 nan 8.150 nan 0.000 0.448 146 E N -2.488 117.672 120.200 -0.067 0.000 2.140 146 E HA -0.058 4.293 4.350 0.001 0.000 0.191 146 E C 1.201 177.583 176.600 -0.365 0.000 0.973 146 E CA 0.587 56.842 56.400 -0.242 0.000 0.829 146 E CB 0.040 29.534 29.700 -0.344 0.000 0.781 146 E HN 0.732 nan 8.360 nan 0.000 0.466 147 Y N -1.310 119.003 120.300 0.021 0.000 2.442 147 Y HA 0.314 4.865 4.550 0.001 0.000 0.250 147 Y C 1.531 177.436 175.900 0.009 0.000 1.113 147 Y CA 0.445 58.568 58.100 0.039 0.000 1.273 147 Y CB 1.458 39.960 38.460 0.071 0.000 1.138 147 Y HN 0.224 nan 8.280 nan 0.000 0.522 148 G N 0.378 109.234 108.800 0.093 0.000 2.234 148 G HA2 -0.303 3.657 3.960 0.001 0.000 0.260 148 G HA3 -0.303 3.657 3.960 0.001 0.000 0.260 148 G C 0.392 175.302 174.900 0.016 0.000 0.987 148 G CA 0.459 45.588 45.100 0.047 0.000 0.625 148 G HN 0.516 nan 8.290 nan 0.000 0.532 149 S N -1.370 114.327 115.700 -0.005 0.000 2.677 149 S HA 0.889 5.359 4.470 0.001 0.000 0.304 149 S C -0.473 174.013 174.600 -0.190 0.000 1.108 149 S CA 0.514 58.661 58.200 -0.088 0.000 0.944 149 S CB 3.012 66.163 63.200 -0.082 0.000 1.127 149 S HN 1.106 nan 8.310 nan 0.000 0.511 150 T N -0.266 114.155 114.554 -0.221 0.000 2.696 150 T HA 0.737 5.088 4.350 0.001 0.000 0.291 150 T C -1.963 172.587 174.700 -0.250 0.000 1.095 150 T CA -0.622 61.286 62.100 -0.320 0.000 1.026 150 T CB 0.893 69.547 68.868 -0.356 0.000 1.390 150 T HN 0.895 nan 8.240 nan 0.000 0.513 151 Y N -0.425 119.708 120.300 -0.279 0.000 2.665 151 Y HA 0.730 5.280 4.550 0.001 0.000 0.336 151 Y C -0.310 175.461 175.900 -0.214 0.000 1.085 151 Y CA -1.460 56.487 58.100 -0.255 0.000 1.096 151 Y CB 0.542 38.817 38.460 -0.308 0.000 1.301 151 Y HN 0.338 nan 8.280 nan 0.000 0.493 152 N N 1.454 120.179 118.700 0.041 0.000 2.488 152 N HA 0.200 4.941 4.740 0.001 0.000 0.274 152 N C -0.529 174.968 175.510 -0.021 0.000 1.111 152 N CA -0.036 52.969 53.050 -0.076 0.000 0.974 152 N CB 1.392 39.829 38.487 -0.084 0.000 1.089 152 N HN 0.850 nan 8.380 nan 0.000 0.465 153 T N -1.823 112.603 114.554 -0.212 0.000 2.910 153 T HA 0.167 4.518 4.350 0.001 0.000 0.293 153 T C 1.854 176.347 174.700 -0.345 0.000 1.015 153 T CA -0.875 61.091 62.100 -0.223 0.000 1.094 153 T CB 0.801 69.485 68.868 -0.306 0.000 0.968 153 T HN 0.137 nan 8.240 nan 0.000 0.521 154 V N 2.642 122.385 119.914 -0.284 0.000 2.280 154 V HA -0.350 3.771 4.120 0.001 0.000 0.258 154 V C 2.766 178.724 176.094 -0.227 0.000 1.081 154 V CA 2.535 64.689 62.300 -0.243 0.000 1.070 154 V CB -1.507 30.172 31.823 -0.240 0.000 0.666 154 V HN 1.119 nan 8.190 nan 0.000 0.450 155 H N -0.626 118.306 119.070 -0.230 0.000 2.423 155 H HA -0.055 4.502 4.556 0.001 0.000 0.297 155 H C 2.194 177.352 175.328 -0.284 0.000 1.075 155 H CA 1.934 57.851 56.048 -0.220 0.000 1.342 155 H CB -0.705 28.922 29.762 -0.226 0.000 1.395 155 H HN 0.381 nan 8.280 nan 0.000 0.530 156 V N 1.992 121.396 119.914 -0.849 0.000 2.453 156 V HA -0.201 3.920 4.120 0.001 0.000 0.247 156 V C 2.317 178.366 176.094 -0.075 0.000 1.048 156 V CA 1.642 63.662 62.300 -0.467 0.000 1.049 156 V CB -0.566 30.983 31.823 -0.456 0.000 0.672 156 V HN 0.378 nan 8.190 nan 0.000 0.457 157 N N 0.234 118.851 118.700 -0.139 0.000 2.244 157 N HA -0.054 4.686 4.740 0.001 0.000 0.183 157 N C 1.733 177.242 175.510 -0.001 0.000 1.016 157 N CA 1.128 54.143 53.050 -0.060 0.000 0.866 157 N CB -0.321 38.111 38.487 -0.091 0.000 0.980 157 N HN 0.401 nan 8.380 nan 0.000 0.430 158 L N -0.739 120.492 121.223 0.014 0.000 2.083 158 L HA -0.205 4.135 4.340 0.001 0.000 0.209 158 L C 2.134 179.112 176.870 0.179 0.000 1.083 158 L CA 1.088 55.964 54.840 0.060 0.000 0.752 158 L CB -0.395 41.685 42.059 0.034 0.000 0.899 158 L HN 0.190 nan 8.230 nan 0.000 0.433 159 Y N 0.692 121.084 120.300 0.153 0.000 2.243 159 Y HA -0.154 4.397 4.550 0.001 0.000 0.293 159 Y C 2.529 178.495 175.900 0.111 0.000 1.124 159 Y CA 1.233 59.453 58.100 0.200 0.000 1.159 159 Y CB -0.004 38.694 38.460 0.397 0.000 1.008 159 Y HN -0.081 nan 8.280 nan 0.000 0.527 160 K N 0.553 120.961 120.400 0.014 0.000 2.103 160 K HA -0.187 4.133 4.320 0.001 0.000 0.207 160 K C 1.618 178.153 176.600 -0.107 0.000 1.048 160 K CA 1.803 58.038 56.287 -0.086 0.000 0.930 160 K CB -0.492 31.995 32.500 -0.021 0.000 0.716 160 K HN 0.590 nan 8.250 nan 0.000 0.444 161 Q N -0.780 118.983 119.800 -0.061 0.000 2.320 161 Q HA 0.153 4.494 4.340 0.001 0.000 0.201 161 Q C 0.772 176.743 176.000 -0.049 0.000 0.910 161 Q CA 0.410 56.183 55.803 -0.049 0.000 0.946 161 Q CB 0.523 29.245 28.738 -0.028 0.000 1.062 161 Q HN 0.452 nan 8.270 nan 0.000 0.503 162 G N 1.059 109.814 108.800 -0.075 0.000 2.184 162 G HA2 -0.324 3.637 3.960 0.001 0.000 0.264 162 G HA3 -0.324 3.637 3.960 0.001 0.000 0.264 162 G C 0.781 175.687 174.900 0.010 0.000 0.975 162 G CA 0.415 45.484 45.100 -0.051 0.000 0.642 162 G HN 0.385 nan 8.290 nan 0.000 0.536 163 L N 0.194 121.433 121.223 0.028 0.000 2.187 163 L HA 0.154 4.495 4.340 0.001 0.000 0.213 163 L C 1.762 178.687 176.870 0.093 0.000 1.100 163 L CA 1.626 56.495 54.840 0.048 0.000 0.765 163 L CB -0.445 41.633 42.059 0.031 0.000 0.904 163 L HN 0.680 nan 8.230 nan 0.000 0.437 164 I N -6.633 114.028 120.570 0.152 0.000 2.934 164 I HA 0.352 4.522 4.170 0.001 0.000 0.306 164 I C 0.625 176.890 176.117 0.247 0.000 1.110 164 I CA -0.643 60.785 61.300 0.213 0.000 1.019 164 I CB 2.021 40.199 38.000 0.297 0.000 1.227 164 I HN -0.309 nan 8.210 nan 0.000 0.434 165 S N 1.494 117.320 115.700 0.210 0.000 2.421 165 S HA 0.139 4.610 4.470 0.001 0.000 0.224 165 S C 0.724 175.473 174.600 0.248 0.000 1.035 165 S CA 0.201 58.520 58.200 0.198 0.000 0.953 165 S CB -0.016 63.255 63.200 0.119 0.000 0.810 165 S HN 0.710 nan 8.310 nan 0.000 0.497 166 S N 2.325 118.119 115.700 0.158 0.000 2.532 166 S HA 0.428 4.899 4.470 0.001 0.000 0.301 166 S C -2.757 171.667 174.600 -0.292 0.000 1.083 166 S CA -1.281 56.900 58.200 -0.032 0.000 1.025 166 S CB 1.746 64.918 63.200 -0.048 0.000 1.056 166 S HN 0.109 nan 8.310 nan 0.000 0.494 167 P HA 0.285 nan 4.420 nan 0.000 0.220 167 P C -1.116 175.180 177.300 -1.673 0.000 1.806 167 P CA -0.220 61.881 63.100 -1.665 0.000 0.976 167 P CB -0.715 29.921 31.700 -1.774 0.000 1.952 168 L N -0.503 120.324 121.223 -0.660 0.000 2.765 168 L HA 0.875 5.216 4.340 0.001 0.000 0.263 168 L C -1.471 175.638 176.870 0.398 0.000 1.068 168 L CA -1.587 53.182 54.840 -0.119 0.000 0.903 168 L CB 1.317 43.289 42.059 -0.144 0.000 1.512 168 L HN -0.014 nan 8.230 nan 0.000 0.404 169 F N -1.309 118.753 119.950 0.187 0.000 2.623 169 F HA 0.831 5.358 4.527 0.001 0.000 0.323 169 F C -0.930 174.880 175.800 0.017 0.000 1.158 169 F CA -0.584 57.469 58.000 0.088 0.000 1.030 169 F CB 1.066 40.117 39.000 0.084 0.000 1.280 169 F HN 0.736 nan 8.300 nan 0.000 0.474 170 S N 2.179 117.921 115.700 0.070 0.000 2.509 170 S HA 0.879 5.349 4.470 0.001 0.000 0.297 170 S C -1.046 173.561 174.600 0.012 0.000 1.118 170 S CA -0.799 57.403 58.200 0.003 0.000 1.074 170 S CB 1.885 65.059 63.200 -0.043 0.000 1.038 170 S HN 0.727 nan 8.310 nan 0.000 0.498 171 V N 3.529 123.469 119.914 0.044 0.000 2.459 171 V HA 0.485 4.606 4.120 0.001 0.000 0.295 171 V C -1.253 174.835 176.094 -0.010 0.000 1.029 171 V CA -0.713 61.566 62.300 -0.034 0.000 0.874 171 V CB 1.203 33.020 31.823 -0.010 0.000 0.985 171 V HN 0.910 nan 8.190 nan 0.000 0.438 172 Y N 5.853 126.040 120.300 -0.188 0.000 2.331 172 Y HA 0.741 5.291 4.550 0.001 0.000 0.334 172 Y C -0.720 175.029 175.900 -0.252 0.000 0.960 172 Y CA -1.863 56.132 58.100 -0.176 0.000 1.130 172 Y CB 1.764 40.139 38.460 -0.142 0.000 1.164 172 Y HN 0.614 nan 8.280 nan 0.000 0.458 173 M N 6.205 125.462 119.600 -0.573 0.000 2.268 173 M HA 0.297 4.777 4.480 0.001 0.000 0.344 173 M C -0.662 175.215 176.300 -0.704 0.000 1.106 173 M CA -0.559 54.296 55.300 -0.742 0.000 1.010 173 M CB 1.373 33.605 32.600 -0.613 0.000 1.649 173 M HN 0.661 nan 8.290 nan 0.000 0.443 174 N N 2.057 120.387 118.700 -0.616 0.000 2.564 174 N HA 0.201 4.942 4.740 0.001 0.000 0.248 174 N C 0.190 175.597 175.510 -0.171 0.000 0.986 174 N CA -0.161 52.679 53.050 -0.350 0.000 0.921 174 N CB 1.191 39.494 38.487 -0.307 0.000 1.136 174 N HN 0.737 nan 8.380 nan 0.000 0.509 175 T N 0.276 114.704 114.554 -0.211 0.000 3.100 175 T HA 0.089 4.439 4.350 0.001 0.000 0.253 175 T C 1.226 176.035 174.700 0.182 0.000 1.118 175 T CA 0.232 62.215 62.100 -0.195 0.000 1.058 175 T CB 0.267 68.854 68.868 -0.467 0.000 0.953 175 T HN 0.214 nan 8.240 nan 0.000 0.515 176 N N 2.786 121.545 118.700 0.098 0.000 2.085 176 N HA -0.067 4.673 4.740 0.001 0.000 0.191 176 N C 2.321 177.910 175.510 0.132 0.000 1.058 176 N CA 2.033 55.138 53.050 0.093 0.000 0.849 176 N CB -0.765 37.768 38.487 0.077 0.000 1.038 176 N HN 0.600 nan 8.380 nan 0.000 0.434 177 S N -1.321 114.465 115.700 0.143 0.000 2.414 177 S HA 0.165 4.635 4.470 0.001 0.000 0.227 177 S C 1.550 176.295 174.600 0.241 0.000 1.022 177 S CA 1.227 59.518 58.200 0.151 0.000 0.958 177 S CB 0.017 63.295 63.200 0.131 0.000 0.797 177 S HN 0.575 nan 8.310 nan 0.000 0.493 178 G N -0.142 108.816 108.800 0.263 0.000 2.179 178 G HA2 -0.160 3.801 3.960 0.001 0.000 0.220 178 G HA3 -0.160 3.801 3.960 0.001 0.000 0.220 178 G C 0.131 175.140 174.900 0.183 0.000 0.990 178 G CA 0.100 45.368 45.100 0.279 0.000 0.646 178 G HN 0.659 nan 8.290 nan 0.000 0.517 179 T N 1.298 115.937 114.554 0.140 0.000 2.893 179 T HA 0.645 4.995 4.350 0.001 0.000 0.324 179 T C 0.823 175.490 174.700 -0.054 0.000 1.082 179 T CA 0.368 62.528 62.100 0.100 0.000 0.983 179 T CB 1.309 70.293 68.868 0.194 0.000 1.005 179 T HN 0.851 nan 8.240 nan 0.000 0.475 180 G N 1.475 110.168 108.800 -0.179 0.000 2.695 180 G HA2 0.724 4.685 3.960 0.001 0.000 0.213 180 G HA3 0.724 4.685 3.960 0.001 0.000 0.213 180 G C -0.852 173.915 174.900 -0.221 0.000 1.406 180 G CA -0.441 44.421 45.100 -0.396 0.000 1.049 180 G HN 0.598 nan 8.290 nan 0.000 0.573 181 E N -1.544 118.569 120.200 -0.145 0.000 2.354 181 E HA 0.427 4.778 4.350 0.001 0.000 0.283 181 E C -1.838 174.702 176.600 -0.100 0.000 0.938 181 E CA -0.548 55.798 56.400 -0.090 0.000 0.777 181 E CB 2.425 32.140 29.700 0.026 0.000 1.222 181 E HN 0.241 nan 8.360 nan 0.000 0.423 182 V N 3.099 122.863 119.914 -0.250 0.000 2.513 182 V HA 0.519 4.639 4.120 0.001 0.000 0.299 182 V C -0.414 175.487 176.094 -0.321 0.000 1.035 182 V CA -0.733 61.326 62.300 -0.400 0.000 0.889 182 V CB 1.702 33.050 31.823 -0.792 0.000 0.988 182 V HN 0.493 nan 8.190 nan 0.000 0.440 183 V N 4.808 124.560 119.914 -0.270 0.000 2.443 183 V HA 0.473 4.593 4.120 0.001 0.000 0.293 183 V C -0.887 175.181 176.094 -0.043 0.000 1.021 183 V CA -0.438 61.802 62.300 -0.099 0.000 0.848 183 V CB 1.493 33.304 31.823 -0.020 0.000 0.998 183 V HN 0.678 nan 8.190 nan 0.000 0.424 184 F N 3.162 123.181 119.950 0.115 0.000 2.411 184 F HA 0.651 5.179 4.527 0.001 0.000 0.355 184 F C 1.282 177.196 175.800 0.190 0.000 1.117 184 F CA 0.611 58.736 58.000 0.208 0.000 1.139 184 F CB 1.574 40.669 39.000 0.158 0.000 1.120 184 F HN 0.740 nan 8.300 nan 0.000 0.493 185 G N 1.577 110.608 108.800 0.386 0.000 2.176 185 G HA2 0.148 4.108 3.960 0.001 0.000 0.232 185 G HA3 0.148 4.108 3.960 0.001 0.000 0.232 185 G C 0.125 175.109 174.900 0.140 0.000 0.986 185 G CA -0.321 44.924 45.100 0.243 0.000 0.643 185 G HN 1.405 nan 8.290 nan 0.000 0.522 186 G N -2.204 106.669 108.800 0.122 0.000 2.430 186 G HA2 0.639 4.599 3.960 0.001 0.000 0.300 186 G HA3 0.639 4.599 3.960 0.001 0.000 0.300 186 G C -1.651 173.270 174.900 0.035 0.000 1.330 186 G CA 0.308 45.445 45.100 0.063 0.000 0.813 186 G HN 1.223 nan 8.290 nan 0.000 0.487 187 V N 0.885 120.804 119.914 0.008 0.000 2.588 187 V HA 0.469 4.589 4.120 0.001 0.000 0.304 187 V C -0.478 175.594 176.094 -0.036 0.000 1.042 187 V CA -1.159 61.128 62.300 -0.022 0.000 0.877 187 V CB 1.829 33.631 31.823 -0.034 0.000 0.996 187 V HN 0.749 nan 8.190 nan 0.000 0.425 188 N N 4.206 122.869 118.700 -0.062 0.000 2.421 188 N HA 0.089 4.830 4.740 0.001 0.000 0.260 188 N C 0.932 176.373 175.510 -0.115 0.000 1.173 188 N CA 0.119 53.117 53.050 -0.087 0.000 0.960 188 N CB 0.278 38.695 38.487 -0.116 0.000 1.273 188 N HN 0.575 nan 8.380 nan 0.000 0.497 189 N N 1.938 120.591 118.700 -0.079 0.000 2.430 189 N HA -0.114 4.626 4.740 0.001 0.000 0.186 189 N C 0.728 176.182 175.510 -0.093 0.000 1.032 189 N CA 0.983 53.989 53.050 -0.073 0.000 0.893 189 N CB 0.074 38.538 38.487 -0.039 0.000 0.957 189 N HN 0.546 nan 8.380 nan 0.000 0.442 190 T N 1.543 116.020 114.554 -0.128 0.000 2.746 190 T HA -0.010 4.341 4.350 0.001 0.000 0.267 190 T C 2.075 176.637 174.700 -0.231 0.000 1.039 190 T CA 0.626 62.643 62.100 -0.138 0.000 1.142 190 T CB -0.116 68.655 68.868 -0.162 0.000 0.866 190 T HN 0.213 nan 8.240 nan 0.000 0.444 191 L N 0.532 121.510 121.223 -0.409 0.000 2.362 191 L HA 0.127 4.468 4.340 0.001 0.000 0.219 191 L C 0.669 177.404 176.870 -0.224 0.000 1.134 191 L CA 0.289 54.813 54.840 -0.527 0.000 0.807 191 L CB -0.804 40.835 42.059 -0.700 0.000 0.927 191 L HN 0.219 nan 8.230 nan 0.000 0.447 192 L N 0.346 121.487 121.223 -0.136 0.000 2.455 192 L HA 0.084 4.425 4.340 0.001 0.000 0.272 192 L C 1.423 178.283 176.870 -0.018 0.000 1.174 192 L CA 0.007 54.809 54.840 -0.064 0.000 0.869 192 L CB 0.661 42.688 42.059 -0.053 0.000 1.130 192 L HN 0.049 nan 8.230 nan 0.000 0.474 193 G N 1.976 110.776 108.800 -0.000 0.000 2.762 193 G HA2 0.393 4.354 3.960 0.001 0.000 0.209 193 G HA3 0.393 4.354 3.960 0.001 0.000 0.209 193 G C 0.448 175.356 174.900 0.013 0.000 1.134 193 G CA 0.607 45.715 45.100 0.013 0.000 0.781 193 G HN 0.785 nan 8.290 nan 0.000 0.528 194 G N -0.471 108.338 108.800 0.015 0.000 2.687 194 G HA2 0.468 4.429 3.960 0.001 0.000 0.291 194 G HA3 0.468 4.429 3.960 0.001 0.000 0.291 194 G C -2.079 172.825 174.900 0.007 0.000 1.420 194 G CA -0.747 44.362 45.100 0.016 0.000 0.796 194 G HN 0.012 nan 8.290 nan 0.000 0.485 195 D N 0.243 120.647 120.400 0.006 0.000 2.390 195 D HA 0.282 4.922 4.640 0.001 0.000 0.249 195 D C 0.685 176.969 176.300 -0.025 0.000 1.144 195 D CA 0.107 54.105 54.000 -0.003 0.000 0.880 195 D CB 1.344 42.150 40.800 0.010 0.000 1.182 195 D HN 0.285 nan 8.370 nan 0.000 0.451 196 I N 2.051 122.579 120.570 -0.070 0.000 2.828 196 I HA 0.015 4.186 4.170 0.001 0.000 0.292 196 I C 0.625 176.606 176.117 -0.226 0.000 1.206 196 I CA 0.102 61.284 61.300 -0.197 0.000 1.420 196 I CB 0.019 37.819 38.000 -0.333 0.000 1.368 196 I HN 0.365 nan 8.210 nan 0.000 0.556 197 A N 7.638 130.344 122.820 -0.191 0.000 2.289 197 A HA 0.585 4.906 4.320 0.001 0.000 0.298 197 A C -0.996 176.478 177.584 -0.183 0.000 1.208 197 A CA -0.259 51.720 52.037 -0.096 0.000 0.845 197 A CB 0.254 19.250 19.000 -0.007 0.000 1.125 197 A HN 0.571 nan 8.150 nan 0.000 0.517 198 Y N 0.441 120.753 120.300 0.020 0.000 2.446 198 Y HA 0.657 5.208 4.550 0.001 0.000 0.338 198 Y C 0.876 176.791 175.900 0.025 0.000 1.055 198 Y CA -0.036 58.065 58.100 0.002 0.000 1.101 198 Y CB 2.455 40.902 38.460 -0.022 0.000 1.221 198 Y HN 0.690 nan 8.280 nan 0.000 0.460 199 T N 1.585 116.277 114.554 0.228 0.000 2.906 199 T HA 0.389 4.739 4.350 0.001 0.000 0.295 199 T C -1.530 173.264 174.700 0.156 0.000 1.075 199 T CA -0.906 61.285 62.100 0.151 0.000 1.005 199 T CB 0.896 69.840 68.868 0.127 0.000 1.136 199 T HN 0.530 nan 8.240 nan 0.000 0.498 200 D N 2.411 122.881 120.400 0.117 0.000 2.198 200 D HA 0.343 4.984 4.640 0.001 0.000 0.245 200 D C 0.210 176.604 176.300 0.155 0.000 1.079 200 D CA -0.202 53.873 54.000 0.126 0.000 0.854 200 D CB 1.891 42.744 40.800 0.088 0.000 1.148 200 D HN 0.373 nan 8.370 nan 0.000 0.456 201 V N 3.033 123.083 119.914 0.226 0.000 2.644 201 V HA -0.108 4.013 4.120 0.001 0.000 0.305 201 V C 1.041 177.239 176.094 0.173 0.000 1.053 201 V CA 0.468 62.928 62.300 0.266 0.000 1.186 201 V CB 0.073 32.101 31.823 0.341 0.000 0.895 201 V HN 0.433 nan 8.190 nan 0.000 0.490 202 M N 5.084 124.725 119.600 0.068 0.000 2.156 202 M HA 0.195 4.675 4.480 0.001 0.000 0.345 202 M C 0.350 176.499 176.300 -0.252 0.000 1.398 202 M CA 0.079 55.337 55.300 -0.070 0.000 1.148 202 M CB 0.918 33.484 32.600 -0.055 0.000 1.663 202 M HN 0.816 nan 8.290 nan 0.000 0.464 203 S N 1.848 117.257 115.700 -0.486 0.000 2.439 203 S HA 0.469 4.939 4.470 0.001 0.000 0.282 203 S C 0.438 174.791 174.600 -0.413 0.000 1.170 203 S CA -0.976 56.735 58.200 -0.814 0.000 1.054 203 S CB 0.854 63.322 63.200 -1.220 0.000 0.956 203 S HN 0.756 nan 8.310 nan 0.000 0.490 204 R N 2.307 122.647 120.500 -0.266 0.000 2.387 204 R HA 0.262 4.603 4.340 0.001 0.000 0.321 204 R C -0.129 176.095 176.300 -0.127 0.000 1.174 204 R CA -0.382 55.566 56.100 -0.254 0.000 1.002 204 R CB -1.867 28.324 30.300 -0.182 0.000 1.028 204 R HN 0.878 nan 8.270 nan 0.000 0.482 205 Y N 0.577 120.820 120.300 -0.096 0.000 3.057 205 Y HA -0.243 4.308 4.550 0.001 0.000 0.192 205 Y C 1.747 177.603 175.900 -0.073 0.000 1.448 205 Y CA 1.421 59.479 58.100 -0.070 0.000 1.065 205 Y CB -1.982 36.451 38.460 -0.045 0.000 1.369 205 Y HN 1.402 nan 8.280 nan 0.000 0.460 206 G N -1.682 107.101 108.800 -0.027 0.000 2.458 206 G HA2 -0.229 3.732 3.960 0.001 0.000 0.237 206 G HA3 -0.229 3.732 3.960 0.001 0.000 0.237 206 G C 0.883 175.695 174.900 -0.145 0.000 1.113 206 G CA 0.187 45.250 45.100 -0.061 0.000 0.655 206 G HN 1.489 nan 8.290 nan 0.000 0.513 207 G N -0.524 108.236 108.800 -0.067 0.000 2.507 207 G HA2 0.547 4.508 3.960 0.001 0.000 0.271 207 G HA3 0.547 4.508 3.960 0.001 0.000 0.271 207 G C -0.803 173.896 174.900 -0.335 0.000 1.189 207 G CA -0.372 44.679 45.100 -0.080 0.000 0.859 207 G HN 0.407 nan 8.290 nan 0.000 0.542 208 Y N 0.113 120.101 120.300 -0.519 0.000 2.364 208 Y HA 0.495 5.046 4.550 0.001 0.000 0.340 208 Y C -0.039 175.301 175.900 -0.934 0.000 0.975 208 Y CA -0.355 57.295 58.100 -0.750 0.000 1.089 208 Y CB 2.238 39.935 38.460 -1.271 0.000 1.192 208 Y HN 0.550 nan 8.280 nan 0.000 0.454 209 Y N -0.015 120.116 120.300 -0.281 0.000 3.012 209 Y HA 0.346 4.897 4.550 0.001 0.000 0.236 209 Y C -0.264 175.484 175.900 -0.253 0.000 1.017 209 Y CA -0.633 57.315 58.100 -0.254 0.000 1.364 209 Y CB 0.291 38.581 38.460 -0.283 0.000 1.491 209 Y HN 0.357 nan 8.280 nan 0.000 0.435 210 F N -1.590 118.488 119.950 0.213 0.000 2.509 210 F HA 0.336 4.864 4.527 0.001 0.000 0.334 210 F C -0.777 175.161 175.800 0.230 0.000 1.060 210 F CA -1.292 56.853 58.000 0.242 0.000 0.997 210 F CB 0.645 39.776 39.000 0.218 0.000 1.271 210 F HN -0.116 nan 8.300 nan 0.000 0.488 211 W N 1.747 123.396 121.300 0.581 0.000 1.518 211 W HA 0.247 4.907 4.660 0.001 0.000 0.426 211 W C -0.550 176.164 176.519 0.325 0.000 0.675 211 W CA -0.485 57.146 57.345 0.476 0.000 1.936 211 W CB -0.467 29.268 29.460 0.459 0.000 1.749 211 W HN 0.151 nan 8.180 nan 0.000 0.247 212 D N 1.490 122.133 120.400 0.405 0.000 2.351 212 D HA 0.344 4.984 4.640 0.001 0.000 0.251 212 D C 0.230 176.658 176.300 0.213 0.000 1.137 212 D CA 0.291 54.441 54.000 0.250 0.000 0.879 212 D CB 1.239 42.126 40.800 0.146 0.000 1.181 212 D HN 0.202 nan 8.370 nan 0.000 0.448 213 A N 3.592 126.519 122.820 0.178 0.000 2.306 213 A HA 0.644 4.964 4.320 0.001 0.000 0.330 213 A C -2.423 175.184 177.584 0.037 0.000 1.146 213 A CA -1.432 50.682 52.037 0.128 0.000 0.827 213 A CB 1.287 20.368 19.000 0.135 0.000 1.178 213 A HN 0.374 nan 8.150 nan 0.000 0.490 214 P HA 0.266 nan 4.420 nan 0.000 0.253 214 P C -0.579 176.643 177.300 -0.130 0.000 1.667 214 P CA -0.045 63.016 63.100 -0.066 0.000 1.118 214 P CB 0.742 32.423 31.700 -0.032 0.000 1.595 215 V N 3.633 123.399 119.914 -0.246 0.000 2.439 215 V HA 0.346 4.467 4.120 0.001 0.000 0.282 215 V C 1.246 177.171 176.094 -0.281 0.000 1.039 215 V CA 0.226 62.314 62.300 -0.353 0.000 0.913 215 V CB 1.313 32.693 31.823 -0.739 0.000 0.983 215 V HN 0.497 nan 8.190 nan 0.000 0.460 216 T N 3.094 117.578 114.554 -0.117 0.000 2.894 216 T HA 0.471 4.821 4.350 0.001 0.000 0.258 216 T C 0.893 175.746 174.700 0.255 0.000 1.043 216 T CA 0.605 62.726 62.100 0.034 0.000 1.141 216 T CB -0.088 68.792 68.868 0.021 0.000 0.873 216 T HN 1.579 nan 8.240 nan 0.000 0.449 217 G N 0.242 109.133 108.800 0.152 0.000 2.547 217 G HA2 0.564 4.525 3.960 0.001 0.000 0.291 217 G HA3 0.564 4.525 3.960 0.001 0.000 0.291 217 G C -1.912 173.039 174.900 0.085 0.000 1.471 217 G CA -1.171 44.063 45.100 0.224 0.000 0.798 217 G HN 0.382 nan 8.290 nan 0.000 0.504 218 I N 1.098 121.736 120.570 0.112 0.000 2.441 218 I HA 0.563 4.733 4.170 0.001 0.000 0.295 218 I C 0.478 176.627 176.117 0.054 0.000 0.994 218 I CA -0.818 60.530 61.300 0.080 0.000 1.144 218 I CB 2.336 40.424 38.000 0.147 0.000 1.314 218 I HN 0.611 nan 8.210 nan 0.000 0.445 219 T N 1.699 116.283 114.554 0.050 0.000 2.888 219 T HA 0.496 4.847 4.350 0.001 0.000 0.284 219 T C 0.414 175.144 174.700 0.050 0.000 1.017 219 T CA -0.663 61.459 62.100 0.035 0.000 1.022 219 T CB 2.262 71.145 68.868 0.025 0.000 1.013 219 T HN 0.252 nan 8.240 nan 0.000 0.465 220 V N 0.974 120.906 119.914 0.029 0.000 2.685 220 V HA 0.161 4.281 4.120 0.001 0.000 0.244 220 V C 1.202 177.311 176.094 0.025 0.000 1.054 220 V CA 1.107 63.426 62.300 0.031 0.000 1.076 220 V CB -0.127 31.695 31.823 -0.002 0.000 0.725 220 V HN 0.964 nan 8.190 nan 0.000 0.467 221 D N -2.411 117.995 120.400 0.011 0.000 2.266 221 D HA 0.262 4.902 4.640 0.001 0.000 0.304 221 D C 1.294 177.598 176.300 0.007 0.000 1.080 221 D CA 1.216 55.221 54.000 0.007 0.000 0.850 221 D CB 2.144 42.938 40.800 -0.009 0.000 1.515 221 D HN 0.418 nan 8.370 nan 0.000 0.531 222 G N 0.576 109.378 108.800 0.004 0.000 4.081 222 G HA2 0.121 4.082 3.960 0.001 0.000 0.192 222 G HA3 0.121 4.082 3.960 0.001 0.000 0.192 222 G C 0.533 175.432 174.900 -0.002 0.000 0.917 222 G CA 0.416 45.517 45.100 0.003 0.000 0.915 222 G HN 0.380 nan 8.290 nan 0.000 0.330 223 S N 0.912 116.607 115.700 -0.009 0.000 2.515 223 S HA 0.602 5.072 4.470 0.001 0.000 0.285 223 S C 0.682 175.274 174.600 -0.013 0.000 1.265 223 S CA 0.697 58.888 58.200 -0.015 0.000 1.079 223 S CB 0.236 63.422 63.200 -0.023 0.000 0.877 223 S HN 1.740 nan 8.310 nan 0.000 0.493 224 A N 3.446 126.258 122.820 -0.014 0.000 2.770 224 A HA 0.527 4.847 4.320 0.001 0.000 0.292 224 A C 1.601 179.167 177.584 -0.030 0.000 1.604 224 A CA 0.261 52.289 52.037 -0.015 0.000 1.271 224 A CB -0.967 18.023 19.000 -0.015 0.000 1.075 224 A HN 1.611 nan 8.150 nan 0.000 0.573 225 A N 2.620 125.425 122.820 -0.026 0.000 1.908 225 A HA 0.136 4.457 4.320 0.001 0.000 0.218 225 A C 0.958 178.505 177.584 -0.061 0.000 1.181 225 A CA 1.766 53.778 52.037 -0.042 0.000 0.627 225 A CB -0.206 18.773 19.000 -0.034 0.000 0.818 225 A HN 0.861 nan 8.150 nan 0.000 0.445 226 V N -0.900 118.981 119.914 -0.056 0.000 2.540 226 V HA 0.671 4.791 4.120 0.001 0.000 0.302 226 V C -0.323 175.668 176.094 -0.173 0.000 1.035 226 V CA -0.754 61.462 62.300 -0.140 0.000 0.873 226 V CB 1.541 33.327 31.823 -0.063 0.000 0.992 226 V HN 0.550 nan 8.190 nan 0.000 0.428 227 R N 3.176 123.477 120.500 -0.331 0.000 2.584 227 R HA 0.728 5.069 4.340 0.001 0.000 0.276 227 R C -2.029 174.053 176.300 -0.364 0.000 1.046 227 R CA -0.323 55.654 56.100 -0.205 0.000 0.906 227 R CB 1.520 31.770 30.300 -0.084 0.000 1.215 227 R HN 0.483 nan 8.270 nan 0.000 0.449 228 F N 1.136 121.091 119.950 0.008 0.000 2.575 228 F HA 0.466 4.993 4.527 0.001 0.000 0.330 228 F C 1.324 177.121 175.800 -0.006 0.000 1.056 228 F CA -0.366 57.638 58.000 0.006 0.000 0.964 228 F CB 2.197 41.191 39.000 -0.010 0.000 1.258 228 F HN 0.713 nan 8.300 nan 0.000 0.484 229 S N 0.345 116.159 115.700 0.190 0.000 2.440 229 S HA 0.238 4.709 4.470 0.001 0.000 0.194 229 S C 0.609 175.259 174.600 0.083 0.000 0.952 229 S CA -0.261 57.999 58.200 0.100 0.000 0.898 229 S CB -0.345 62.895 63.200 0.067 0.000 0.875 229 S HN 0.480 nan 8.310 nan 0.000 0.581 230 R N 3.063 123.605 120.500 0.070 0.000 2.351 230 R HA 0.335 4.675 4.340 0.001 0.000 0.318 230 R C -2.722 173.576 176.300 -0.003 0.000 1.055 230 R CA -1.618 54.498 56.100 0.026 0.000 0.968 230 R CB -0.231 30.079 30.300 0.017 0.000 0.974 230 R HN 0.288 nan 8.270 nan 0.000 0.439 231 P HA -0.190 nan 4.420 nan 0.000 0.255 231 P C -0.720 176.463 177.300 -0.194 0.000 1.151 231 P CA 0.568 63.605 63.100 -0.104 0.000 0.767 231 P CB 0.414 32.067 31.700 -0.079 0.000 0.736 232 Q N 3.398 122.969 119.800 -0.382 0.000 2.259 232 Q HA 0.559 4.900 4.340 0.001 0.000 0.246 232 Q C -0.687 175.136 176.000 -0.294 0.000 0.920 232 Q CA -0.558 54.925 55.803 -0.532 0.000 0.895 232 Q CB 0.862 28.813 28.738 -1.311 0.000 1.220 232 Q HN 0.470 nan 8.270 nan 0.000 0.439 233 A N 4.070 126.764 122.820 -0.209 0.000 2.260 233 A HA 0.512 4.833 4.320 0.001 0.000 0.312 233 A C -1.293 176.324 177.584 0.055 0.000 1.321 233 A CA -0.377 51.628 52.037 -0.052 0.000 0.928 233 A CB -0.199 18.760 19.000 -0.068 0.000 1.158 233 A HN 0.594 nan 8.150 nan 0.000 0.542 234 F N 1.851 121.709 119.950 -0.153 0.000 2.361 234 F HA 0.296 4.824 4.527 0.001 0.000 0.364 234 F C 0.930 176.724 175.800 -0.010 0.000 1.120 234 F CA -0.260 57.703 58.000 -0.063 0.000 1.102 234 F CB 1.659 40.612 39.000 -0.079 0.000 1.183 234 F HN 0.456 nan 8.300 nan 0.000 0.476 235 T N 5.581 120.193 114.554 0.096 0.000 2.769 235 T HA 0.204 4.554 4.350 0.001 0.000 0.293 235 T C 0.602 175.393 174.700 0.151 0.000 0.931 235 T CA -0.237 61.926 62.100 0.105 0.000 1.139 235 T CB -0.036 68.801 68.868 -0.052 0.000 0.881 235 T HN 0.135 nan 8.240 nan 0.000 0.532 236 I N 4.480 125.204 120.570 0.257 0.000 2.357 236 I HA 0.127 4.297 4.170 0.001 0.000 0.300 236 I C 0.594 176.888 176.117 0.295 0.000 1.159 236 I CA -0.189 61.272 61.300 0.270 0.000 1.339 236 I CB -0.564 37.624 38.000 0.312 0.000 1.458 236 I HN 0.566 nan 8.210 nan 0.000 0.577 237 D N 4.683 125.201 120.400 0.197 0.000 2.462 237 D HA 0.121 4.761 4.640 0.001 0.000 0.249 237 D C 1.372 177.749 176.300 0.129 0.000 1.117 237 D CA -0.314 53.791 54.000 0.175 0.000 0.900 237 D CB 1.062 41.945 40.800 0.138 0.000 1.039 237 D HN 0.541 nan 8.370 nan 0.000 0.516 238 T N -0.292 114.337 114.554 0.125 0.000 3.077 238 T HA -0.018 4.333 4.350 0.001 0.000 0.269 238 T C 1.644 176.392 174.700 0.079 0.000 1.146 238 T CA 0.681 62.848 62.100 0.113 0.000 1.091 238 T CB 0.019 68.991 68.868 0.174 0.000 0.892 238 T HN 0.300 nan 8.240 nan 0.000 0.533 239 G N 0.154 108.985 108.800 0.053 0.000 3.042 239 G HA2 0.274 4.234 3.960 0.001 0.000 0.212 239 G HA3 0.274 4.234 3.960 0.001 0.000 0.212 239 G C 0.280 175.178 174.900 -0.004 0.000 1.166 239 G CA -0.130 44.974 45.100 0.007 0.000 0.767 239 G HN 0.507 nan 8.290 nan 0.000 0.546 240 T N 0.797 115.367 114.554 0.026 0.000 2.829 240 T HA 0.265 4.616 4.350 0.001 0.000 0.280 240 T C 1.010 175.716 174.700 0.009 0.000 0.999 240 T CA -0.613 61.502 62.100 0.027 0.000 0.983 240 T CB 1.882 70.791 68.868 0.069 0.000 0.968 240 T HN 0.225 nan 8.240 nan 0.000 0.446 241 N N 2.228 120.895 118.700 -0.056 0.000 2.124 241 N HA 0.003 4.744 4.740 0.001 0.000 0.188 241 N C 0.362 175.823 175.510 -0.082 0.000 1.045 241 N CA 0.945 53.906 53.050 -0.148 0.000 0.846 241 N CB -0.759 37.504 38.487 -0.375 0.000 1.020 241 N HN 0.412 nan 8.380 nan 0.000 0.432 242 F N 0.078 120.106 119.950 0.129 0.000 2.480 242 F HA 0.259 4.786 4.527 0.001 0.000 0.319 242 F C 0.547 176.481 175.800 0.223 0.000 1.230 242 F CA -0.895 57.205 58.000 0.166 0.000 1.285 242 F CB 0.016 39.092 39.000 0.127 0.000 1.208 242 F HN -0.057 nan 8.300 nan 0.000 0.579 243 F N 3.879 124.020 119.950 0.319 0.000 2.303 243 F HA 0.400 4.927 4.527 0.001 0.000 0.368 243 F C -0.635 175.227 175.800 0.104 0.000 1.105 243 F CA -1.779 56.324 58.000 0.173 0.000 1.153 243 F CB -0.600 38.492 39.000 0.152 0.000 1.362 243 F HN 0.011 nan 8.300 nan 0.000 0.511 244 I N 6.684 127.522 120.570 0.447 0.000 2.472 244 I HA 0.317 4.487 4.170 0.001 0.000 0.290 244 I C 0.174 176.347 176.117 0.093 0.000 1.016 244 I CA -0.191 61.222 61.300 0.189 0.000 1.348 244 I CB 1.012 39.070 38.000 0.096 0.000 1.417 244 I HN 0.577 nan 8.210 nan 0.000 0.521 245 M N 6.321 125.870 119.600 -0.086 0.000 2.622 245 M HA 0.373 4.854 4.480 0.001 0.000 0.276 245 M C -2.688 173.420 176.300 -0.320 0.000 1.265 245 M CA -1.584 53.524 55.300 -0.320 0.000 0.850 245 M CB 3.184 35.660 32.600 -0.207 0.000 1.720 245 M HN 0.194 nan 8.290 nan 0.000 0.465 246 P HA 0.112 nan 4.420 nan 0.000 0.267 246 P C 0.475 177.718 177.300 -0.095 0.000 1.205 246 P CA 0.873 63.814 63.100 -0.266 0.000 0.765 246 P CB 0.497 32.031 31.700 -0.276 0.000 0.828 247 S N 3.506 119.168 115.700 -0.062 0.000 2.767 247 S HA -0.351 4.120 4.470 0.001 0.000 0.360 247 S C 1.643 176.275 174.600 0.054 0.000 1.411 247 S CA 3.228 61.415 58.200 -0.021 0.000 1.088 247 S CB -1.473 61.718 63.200 -0.014 0.000 1.265 247 S HN 0.564 nan 8.310 nan 0.000 0.448 248 S N -2.301 113.453 115.700 0.089 0.000 2.660 248 S HA 0.545 5.016 4.470 0.001 0.000 0.262 248 S C 1.891 176.550 174.600 0.100 0.000 1.006 248 S CA 0.912 59.218 58.200 0.176 0.000 1.174 248 S CB -0.820 62.468 63.200 0.146 0.000 0.939 248 S HN 1.603 nan 8.310 nan 0.000 0.438 249 A N 2.331 125.184 122.820 0.055 0.000 2.030 249 A HA -0.299 4.022 4.320 0.001 0.000 0.266 249 A C 2.086 179.692 177.584 0.038 0.000 2.529 249 A CA 3.019 55.081 52.037 0.042 0.000 0.955 249 A CB -1.516 17.512 19.000 0.048 0.000 0.765 249 A HN 1.048 nan 8.150 nan 0.000 0.502 250 A N -2.294 120.560 122.820 0.057 0.000 2.147 250 A HA 0.483 4.804 4.320 0.001 0.000 0.211 250 A C 2.382 179.996 177.584 0.051 0.000 1.160 250 A CA 1.526 53.608 52.037 0.076 0.000 0.781 250 A CB -0.986 18.170 19.000 0.261 0.000 0.842 250 A HN 1.473 nan 8.150 nan 0.000 0.475 251 S N 0.576 116.316 115.700 0.066 0.000 2.419 251 S HA -0.121 4.349 4.470 0.001 0.000 0.235 251 S C 1.472 176.049 174.600 -0.039 0.000 1.019 251 S CA 1.128 59.417 58.200 0.147 0.000 0.982 251 S CB -0.247 63.186 63.200 0.389 0.000 0.789 251 S HN 0.234 nan 8.310 nan 0.000 0.490 252 K N 1.440 121.802 120.400 -0.063 0.000 3.277 252 K HA 0.268 4.588 4.320 0.001 0.000 0.280 252 K C 0.710 177.193 176.600 -0.196 0.000 1.182 252 K CA -0.047 56.119 56.287 -0.202 0.000 1.219 252 K CB -0.486 31.959 32.500 -0.091 0.000 1.373 252 K HN 0.732 nan 8.250 nan 0.000 0.392 253 I N -1.376 119.080 120.570 -0.191 0.000 3.941 253 I HA -0.090 4.081 4.170 0.001 0.000 0.321 253 I C 1.506 177.508 176.117 -0.193 0.000 1.284 253 I CA 0.240 61.469 61.300 -0.119 0.000 1.226 253 I CB 0.395 38.382 38.000 -0.022 0.000 1.045 253 I HN -0.030 nan 8.210 nan 0.000 0.420 254 V N 2.847 122.534 119.914 -0.379 0.000 2.358 254 V HA -0.266 3.854 4.120 0.001 0.000 0.246 254 V C 2.397 178.195 176.094 -0.493 0.000 1.047 254 V CA 2.483 64.441 62.300 -0.570 0.000 1.035 254 V CB -0.590 30.567 31.823 -1.109 0.000 0.658 254 V HN 0.659 nan 8.190 nan 0.000 0.452 255 K N 0.453 120.592 120.400 -0.435 0.000 2.574 255 K HA 0.170 4.491 4.320 0.001 0.000 0.193 255 K C 1.419 177.893 176.600 -0.209 0.000 1.035 255 K CA 1.282 57.392 56.287 -0.295 0.000 0.982 255 K CB -0.186 32.176 32.500 -0.231 0.000 0.795 255 K HN 0.476 nan 8.250 nan 0.000 0.491 256 A N 0.198 122.898 122.820 -0.200 0.000 2.288 256 A HA 0.490 4.810 4.320 0.001 0.000 0.216 256 A C 1.826 179.329 177.584 -0.135 0.000 1.199 256 A CA 0.322 52.275 52.037 -0.140 0.000 0.891 256 A CB 0.318 19.255 19.000 -0.105 0.000 0.923 256 A HN 0.389 nan 8.150 nan 0.000 0.500 257 A N -0.973 121.736 122.820 -0.186 0.000 2.140 257 A HA 0.549 4.870 4.320 0.001 0.000 0.199 257 A C 0.330 177.769 177.584 -0.242 0.000 1.416 257 A CA 0.165 52.096 52.037 -0.176 0.000 1.018 257 A CB 0.330 19.248 19.000 -0.137 0.000 1.117 257 A HN 0.259 nan 8.150 nan 0.000 0.480 258 L N 1.686 122.708 121.223 -0.334 0.000 2.408 258 L HA 0.308 4.649 4.340 0.001 0.000 0.257 258 L C -1.803 174.917 176.870 -0.251 0.000 1.053 258 L CA -1.754 52.891 54.840 -0.325 0.000 0.922 258 L CB 1.594 43.360 42.059 -0.489 0.000 1.261 258 L HN 0.139 nan 8.230 nan 0.000 0.458 259 P HA -0.203 nan 4.420 nan 0.000 0.215 259 P C 0.549 177.777 177.300 -0.121 0.000 1.157 259 P CA 1.389 64.402 63.100 -0.145 0.000 0.868 259 P CB 0.110 31.738 31.700 -0.119 0.000 0.788 260 D N -0.175 120.166 120.400 -0.099 0.000 2.400 260 D HA 0.165 4.806 4.640 0.001 0.000 0.243 260 D C 0.466 176.736 176.300 -0.049 0.000 1.184 260 D CA -0.329 53.634 54.000 -0.062 0.000 0.853 260 D CB -0.721 40.056 40.800 -0.039 0.000 0.944 260 D HN 0.091 nan 8.370 nan 0.000 0.501 261 A N 0.110 122.879 122.820 -0.085 0.000 2.425 261 A HA 0.440 4.761 4.320 0.001 0.000 0.242 261 A C 0.284 177.901 177.584 0.055 0.000 1.077 261 A CA -0.066 51.948 52.037 -0.039 0.000 0.781 261 A CB 0.362 19.266 19.000 -0.161 0.000 1.020 261 A HN 0.192 nan 8.150 nan 0.000 0.494 262 T N 1.528 116.166 114.554 0.141 0.000 2.840 262 T HA 0.581 4.932 4.350 0.001 0.000 0.287 262 T C 0.100 174.935 174.700 0.225 0.000 0.991 262 T CA 0.311 62.498 62.100 0.145 0.000 0.964 262 T CB 1.214 70.133 68.868 0.084 0.000 0.954 262 T HN 1.009 nan 8.240 nan 0.000 0.438 263 E N 2.171 122.514 120.200 0.239 0.000 2.415 263 E HA 0.452 4.803 4.350 0.001 0.000 0.260 263 E C 0.063 176.663 176.600 0.001 0.000 1.016 263 E CA -0.237 56.244 56.400 0.136 0.000 0.924 263 E CB -0.003 29.780 29.700 0.138 0.000 0.961 263 E HN 0.616 nan 8.360 nan 0.000 0.459 264 T N 2.090 116.586 114.554 -0.098 0.000 2.906 264 T HA 0.563 4.913 4.350 0.001 0.000 0.295 264 T C 1.713 176.327 174.700 -0.145 0.000 1.061 264 T CA 0.052 62.104 62.100 -0.080 0.000 1.000 264 T CB 1.542 70.387 68.868 -0.038 0.000 1.103 264 T HN 0.725 nan 8.240 nan 0.000 0.486 265 Q N 0.784 120.524 119.800 -0.100 0.000 2.112 265 Q HA -0.124 4.217 4.340 0.001 0.000 0.206 265 Q C 1.351 177.272 176.000 -0.132 0.000 0.987 265 Q CA 1.496 57.234 55.803 -0.108 0.000 0.858 265 Q CB -0.725 27.977 28.738 -0.061 0.000 0.905 265 Q HN 0.620 nan 8.270 nan 0.000 0.420 266 Q N 0.439 120.178 119.800 -0.102 0.000 2.945 266 Q HA 0.399 4.740 4.340 0.001 0.000 0.323 266 Q C 1.000 176.904 176.000 -0.160 0.000 1.188 266 Q CA 0.437 56.179 55.803 -0.102 0.000 0.929 266 Q CB -0.773 27.942 28.738 -0.037 0.000 1.531 266 Q HN 0.815 nan 8.270 nan 0.000 0.444 267 G N 0.705 109.341 108.800 -0.274 0.000 2.598 267 G HA2 -0.269 3.692 3.960 0.001 0.000 0.269 267 G HA3 -0.269 3.692 3.960 0.001 0.000 0.269 267 G C -0.815 173.893 174.900 -0.321 0.000 1.289 267 G CA -0.553 44.299 45.100 -0.413 0.000 0.926 267 G HN 0.492 nan 8.290 nan 0.000 0.567 268 W N 1.163 122.473 121.300 0.016 0.000 2.387 268 W HA 0.500 5.161 4.660 0.001 0.000 0.310 268 W C 0.749 177.301 176.519 0.054 0.000 1.181 268 W CA 0.004 57.371 57.345 0.036 0.000 1.333 268 W CB 0.408 29.901 29.460 0.056 0.000 1.286 268 W HN 0.732 nan 8.180 nan 0.000 0.455 269 V N 2.382 122.429 119.914 0.222 0.000 2.732 269 V HA 0.862 4.983 4.120 0.001 0.000 0.310 269 V C -0.275 175.890 176.094 0.119 0.000 1.053 269 V CA -0.987 61.405 62.300 0.152 0.000 0.957 269 V CB 1.256 33.138 31.823 0.097 0.000 1.018 269 V HN 0.281 nan 8.190 nan 0.000 0.452 270 V N -0.843 119.125 119.914 0.090 0.000 3.120 270 V HA 0.720 4.840 4.120 0.001 0.000 0.303 270 V C -2.976 173.151 176.094 0.054 0.000 1.238 270 V CA -2.143 60.188 62.300 0.052 0.000 1.008 270 V CB 2.109 33.938 31.823 0.011 0.000 1.064 270 V HN 0.857 nan 8.190 nan 0.000 0.434 271 P HA 0.120 nan 4.420 nan 0.000 0.261 271 P C 1.079 178.408 177.300 0.048 0.000 1.203 271 P CA 0.309 63.435 63.100 0.043 0.000 0.767 271 P CB 0.628 32.349 31.700 0.035 0.000 0.785 272 c N 4.443 123.075 118.600 0.054 0.000 2.359 272 c HA -0.217 4.353 4.570 0.001 0.000 0.277 272 c C 2.971 177.086 174.090 0.041 0.000 1.192 272 c CA 1.945 58.308 56.329 0.057 0.000 1.759 272 c CB -1.924 40.620 42.510 0.056 0.000 2.038 272 c HN 0.658 nan 8.230 nan 0.000 0.448 273 A N 0.735 123.573 122.820 0.030 0.000 2.054 273 A HA -0.011 4.309 4.320 0.001 0.000 0.223 273 A C 1.564 179.157 177.584 0.015 0.000 1.169 273 A CA 2.022 54.068 52.037 0.015 0.000 0.655 273 A CB -1.444 17.563 19.000 0.012 0.000 0.812 273 A HN 0.851 nan 8.150 nan 0.000 0.462 274 S N -2.020 113.701 115.700 0.035 0.000 2.586 274 S HA 0.115 4.585 4.470 0.001 0.000 0.256 274 S C 0.603 175.253 174.600 0.083 0.000 1.392 274 S CA 0.493 58.728 58.200 0.060 0.000 0.983 274 S CB -0.260 62.978 63.200 0.063 0.000 0.897 274 S HN 0.520 nan 8.310 nan 0.000 0.566 275 Y N 0.489 120.782 120.300 -0.013 0.000 2.621 275 Y HA 0.016 4.567 4.550 0.001 0.000 0.330 275 Y C 1.037 176.925 175.900 -0.019 0.000 1.219 275 Y CA 0.662 58.752 58.100 -0.016 0.000 1.286 275 Y CB -0.278 38.169 38.460 -0.021 0.000 1.053 275 Y HN 0.482 nan 8.280 nan 0.000 0.498 276 Q N 0.493 120.382 119.800 0.149 0.000 2.945 276 Q HA 0.008 4.348 4.340 0.001 0.000 0.323 276 Q C -0.007 176.040 176.000 0.079 0.000 1.188 276 Q CA 0.250 56.109 55.803 0.094 0.000 0.929 276 Q CB -0.653 28.117 28.738 0.054 0.000 1.531 276 Q HN 0.545 nan 8.270 nan 0.000 0.444 277 N N -0.933 117.822 118.700 0.091 0.000 2.475 277 N HA 0.000 4.741 4.740 0.001 0.000 0.272 277 N C 0.392 175.955 175.510 0.089 0.000 1.482 277 N CA 0.123 53.194 53.050 0.035 0.000 0.863 277 N CB 0.562 39.025 38.487 -0.040 0.000 1.400 277 N HN -0.007 nan 8.380 nan 0.000 0.489 278 S N -0.329 115.466 115.700 0.159 0.000 2.507 278 S HA -0.013 4.458 4.470 0.001 0.000 0.235 278 S C 1.638 176.305 174.600 0.111 0.000 0.988 278 S CA 1.027 59.346 58.200 0.198 0.000 0.944 278 S CB -0.627 62.639 63.200 0.110 0.000 0.762 278 S HN 0.639 nan 8.310 nan 0.000 0.526 279 K N -0.126 120.311 120.400 0.061 0.000 3.349 279 K HA -0.193 4.128 4.320 0.001 0.000 0.310 279 K C 0.281 176.894 176.600 0.023 0.000 1.267 279 K CA 1.299 57.604 56.287 0.030 0.000 0.920 279 K CB -2.945 29.575 32.500 0.034 0.000 1.240 279 K HN 0.678 nan 8.250 nan 0.000 0.453 280 S N 1.364 117.080 115.700 0.027 0.000 2.523 280 S HA 0.535 5.006 4.470 0.001 0.000 0.275 280 S C 0.576 175.195 174.600 0.032 0.000 1.281 280 S CA 0.131 58.342 58.200 0.019 0.000 1.050 280 S CB 1.471 64.675 63.200 0.006 0.000 0.937 280 S HN 1.033 nan 8.310 nan 0.000 0.492 281 T N 0.607 115.182 114.554 0.035 0.000 2.788 281 T HA 0.563 4.913 4.350 0.001 0.000 0.296 281 T C -0.109 174.647 174.700 0.092 0.000 1.009 281 T CA -0.674 61.459 62.100 0.053 0.000 0.949 281 T CB -0.049 68.840 68.868 0.034 0.000 0.946 281 T HN 0.470 nan 8.240 nan 0.000 0.453 282 I N 3.260 123.920 120.570 0.150 0.000 2.441 282 I HA 0.293 4.464 4.170 0.001 0.000 0.287 282 I C 0.248 176.510 176.117 0.241 0.000 1.049 282 I CA -0.224 61.197 61.300 0.202 0.000 1.381 282 I CB 1.008 39.183 38.000 0.291 0.000 1.409 282 I HN 0.688 nan 8.210 nan 0.000 0.523 283 S N 7.130 122.941 115.700 0.185 0.000 2.557 283 S HA 0.559 5.030 4.470 0.001 0.000 0.291 283 S C -0.333 174.330 174.600 0.105 0.000 1.116 283 S CA -0.613 57.688 58.200 0.169 0.000 0.992 283 S CB 1.681 64.941 63.200 0.100 0.000 1.028 283 S HN 0.342 nan 8.310 nan 0.000 0.484 284 I N 3.068 123.679 120.570 0.068 0.000 2.312 284 I HA 0.287 4.458 4.170 0.001 0.000 0.291 284 I C -0.575 175.458 176.117 -0.139 0.000 1.031 284 I CA -0.725 60.517 61.300 -0.098 0.000 1.293 284 I CB 0.837 38.683 38.000 -0.256 0.000 1.403 284 I HN 0.268 nan 8.210 nan 0.000 0.484 285 V N 7.271 127.110 119.914 -0.127 0.000 2.394 285 V HA 0.493 4.614 4.120 0.001 0.000 0.282 285 V C 0.153 176.164 176.094 -0.137 0.000 1.031 285 V CA -0.446 61.794 62.300 -0.100 0.000 0.881 285 V CB 1.218 33.014 31.823 -0.045 0.000 0.982 285 V HN 0.700 nan 8.190 nan 0.000 0.451 286 M N 2.820 122.353 119.600 -0.113 0.000 2.690 286 M HA 0.492 4.973 4.480 0.001 0.000 0.302 286 M C -0.571 175.703 176.300 -0.044 0.000 1.234 286 M CA -0.626 54.614 55.300 -0.100 0.000 0.853 286 M CB 2.274 34.817 32.600 -0.094 0.000 1.748 286 M HN 0.529 nan 8.290 nan 0.000 0.469 287 Q N 1.998 121.780 119.800 -0.030 0.000 2.281 287 Q HA 0.195 4.536 4.340 0.001 0.000 0.267 287 Q C -0.531 175.481 176.000 0.020 0.000 1.053 287 Q CA 0.055 55.855 55.803 -0.005 0.000 0.905 287 Q CB 0.705 29.439 28.738 -0.007 0.000 1.195 287 Q HN 0.380 nan 8.270 nan 0.000 0.398 288 K N 1.515 121.929 120.400 0.025 0.000 2.397 288 K HA 0.002 4.323 4.320 0.001 0.000 0.265 288 K C -0.073 176.559 176.600 0.054 0.000 0.982 288 K CA 0.027 56.342 56.287 0.045 0.000 0.931 288 K CB 0.639 33.161 32.500 0.037 0.000 0.943 288 K HN 0.489 nan 8.250 nan 0.000 0.501 289 S N 1.423 117.171 115.700 0.079 0.000 2.474 289 S HA 0.324 4.795 4.470 0.001 0.000 0.276 289 S C 0.382 175.003 174.600 0.035 0.000 1.227 289 S CA 0.542 58.780 58.200 0.063 0.000 1.050 289 S CB 0.154 63.405 63.200 0.085 0.000 0.939 289 S HN 0.864 nan 8.310 nan 0.000 0.490 290 G N 2.659 111.471 108.800 0.020 0.000 2.198 290 G HA2 -0.002 3.958 3.960 0.001 0.000 0.257 290 G HA3 -0.002 3.958 3.960 0.001 0.000 0.257 290 G C 0.106 175.015 174.900 0.015 0.000 1.042 290 G CA 0.429 45.536 45.100 0.011 0.000 0.791 290 G HN 1.344 nan 8.290 nan 0.000 0.502 291 S N -2.157 113.554 115.700 0.018 0.000 2.638 291 S HA 0.926 5.396 4.470 0.001 0.000 0.274 291 S C 0.570 175.178 174.600 0.013 0.000 1.157 291 S CA 0.635 58.844 58.200 0.016 0.000 0.826 291 S CB 1.123 64.335 63.200 0.019 0.000 1.139 291 S HN 0.800 nan 8.310 nan 0.000 0.474 292 S N -0.361 115.346 115.700 0.011 0.000 3.265 292 S HA 0.074 4.545 4.470 0.001 0.000 0.259 292 S C 2.082 176.686 174.600 0.008 0.000 1.089 292 S CA 0.843 59.048 58.200 0.008 0.000 0.811 292 S CB -0.500 62.704 63.200 0.007 0.000 0.858 292 S HN 0.985 nan 8.310 nan 0.000 0.452 293 S N 3.041 118.745 115.700 0.008 0.000 2.343 293 S HA -0.091 4.380 4.470 0.001 0.000 0.219 293 S C 0.757 175.361 174.600 0.007 0.000 1.033 293 S CA 1.235 59.439 58.200 0.007 0.000 1.014 293 S CB -0.901 62.303 63.200 0.007 0.000 0.915 293 S HN 0.700 nan 8.310 nan 0.000 0.435 294 D N 1.504 121.909 120.400 0.009 0.000 2.326 294 D HA 0.465 5.106 4.640 0.001 0.000 0.251 294 D C -0.237 176.068 176.300 0.009 0.000 1.023 294 D CA -0.375 53.630 54.000 0.009 0.000 0.966 294 D CB 1.643 42.449 40.800 0.010 0.000 1.156 294 D HN 0.420 nan 8.370 nan 0.000 0.494 295 T N -2.471 112.086 114.554 0.005 0.000 2.916 295 T HA 0.652 5.003 4.350 0.001 0.000 0.292 295 T C 0.551 175.251 174.700 0.001 0.000 1.064 295 T CA -0.989 61.112 62.100 0.001 0.000 1.011 295 T CB 1.084 69.946 68.868 -0.009 0.000 1.152 295 T HN 0.561 nan 8.240 nan 0.000 0.510 296 I N -1.264 119.303 120.570 -0.004 0.000 2.822 296 I HA 0.871 5.042 4.170 0.001 0.000 0.312 296 I C -0.623 175.471 176.117 -0.039 0.000 1.011 296 I CA -1.082 60.213 61.300 -0.008 0.000 1.105 296 I CB 1.813 39.816 38.000 0.006 0.000 1.291 296 I HN 0.810 nan 8.210 nan 0.000 0.474 297 E N 4.364 124.536 120.200 -0.047 0.000 2.366 297 E HA 0.506 4.857 4.350 0.001 0.000 0.278 297 E C -1.284 175.266 176.600 -0.083 0.000 0.923 297 E CA -0.763 55.597 56.400 -0.067 0.000 0.761 297 E CB 2.569 32.257 29.700 -0.020 0.000 1.231 297 E HN 0.819 nan 8.360 nan 0.000 0.443 298 I N -0.943 119.551 120.570 -0.126 0.000 2.418 298 I HA 0.622 4.793 4.170 0.001 0.000 0.287 298 I C -0.805 175.439 176.117 0.212 0.000 1.008 298 I CA -0.724 60.508 61.300 -0.114 0.000 1.104 298 I CB 1.875 39.447 38.000 -0.713 0.000 1.264 298 I HN 0.388 nan 8.210 nan 0.000 0.438 299 S N 5.850 121.733 115.700 0.306 0.000 2.482 299 S HA 0.790 5.261 4.470 0.001 0.000 0.303 299 S C -0.253 174.434 174.600 0.145 0.000 1.091 299 S CA -0.775 57.578 58.200 0.255 0.000 1.057 299 S CB 2.085 65.364 63.200 0.131 0.000 1.031 299 S HN 0.787 nan 8.310 nan 0.000 0.485 300 V N -0.781 119.170 119.914 0.061 0.000 2.709 300 V HA 0.702 4.823 4.120 0.001 0.000 0.308 300 V C -3.311 172.726 176.094 -0.096 0.000 1.062 300 V CA -2.963 59.207 62.300 -0.216 0.000 0.901 300 V CB 1.325 32.868 31.823 -0.466 0.000 1.003 300 V HN 0.568 nan 8.190 nan 0.000 0.425 301 P HA 0.172 nan 4.420 nan 0.000 0.267 301 P C 1.087 178.389 177.300 0.003 0.000 1.200 301 P CA 0.031 63.080 63.100 -0.085 0.000 0.772 301 P CB 1.050 32.660 31.700 -0.150 0.000 0.855 302 V N 1.991 121.949 119.914 0.073 0.000 2.490 302 V HA -0.246 3.874 4.120 0.001 0.000 0.250 302 V C 2.125 178.312 176.094 0.156 0.000 1.061 302 V CA 2.605 65.002 62.300 0.161 0.000 1.064 302 V CB -1.345 30.534 31.823 0.093 0.000 0.670 302 V HN 0.673 nan 8.190 nan 0.000 0.461 303 S N 0.518 116.261 115.700 0.071 0.000 2.348 303 S HA -0.224 4.247 4.470 0.001 0.000 0.221 303 S C 1.756 176.398 174.600 0.071 0.000 1.033 303 S CA 1.123 59.361 58.200 0.063 0.000 1.010 303 S CB -0.486 62.724 63.200 0.015 0.000 0.891 303 S HN 0.601 nan 8.310 nan 0.000 0.442 304 K N 0.665 121.054 120.400 -0.017 0.000 2.616 304 K HA 0.222 4.542 4.320 0.001 0.000 0.192 304 K C 0.854 177.519 176.600 0.108 0.000 1.031 304 K CA 0.451 56.703 56.287 -0.058 0.000 1.004 304 K CB -0.294 31.911 32.500 -0.491 0.000 0.810 304 K HN 0.479 nan 8.250 nan 0.000 0.497 305 M N 0.620 120.338 119.600 0.196 0.000 2.412 305 M HA 0.192 4.672 4.480 0.001 0.000 0.315 305 M C -0.710 175.802 176.300 0.353 0.000 1.092 305 M CA 0.017 55.483 55.300 0.277 0.000 0.974 305 M CB 0.703 33.489 32.600 0.309 0.000 1.437 305 M HN -0.039 nan 8.290 nan 0.000 0.524 306 L N 1.513 122.923 121.223 0.312 0.000 2.376 306 L HA 0.584 4.924 4.340 0.001 0.000 0.275 306 L C -1.038 175.971 176.870 0.232 0.000 0.987 306 L CA -0.463 54.561 54.840 0.306 0.000 0.828 306 L CB 1.954 44.169 42.059 0.262 0.000 1.249 306 L HN 0.106 nan 8.230 nan 0.000 0.409 307 L N 4.301 125.669 121.223 0.242 0.000 2.307 307 L HA 0.554 4.895 4.340 0.001 0.000 0.284 307 L C -2.308 174.664 176.870 0.170 0.000 1.023 307 L CA -2.040 52.924 54.840 0.207 0.000 0.810 307 L CB 1.606 43.818 42.059 0.254 0.000 1.231 307 L HN 0.242 nan 8.230 nan 0.000 0.423 308 P HA -0.007 nan 4.420 nan 0.000 0.264 308 P C 0.830 178.196 177.300 0.111 0.000 1.193 308 P CA 0.186 63.348 63.100 0.104 0.000 0.763 308 P CB 0.798 32.545 31.700 0.078 0.000 0.810 309 V N 2.766 122.740 119.914 0.100 0.000 2.490 309 V HA -0.171 3.950 4.120 0.001 0.000 0.250 309 V C 0.925 177.069 176.094 0.084 0.000 1.061 309 V CA 2.055 64.412 62.300 0.096 0.000 1.064 309 V CB -0.356 31.515 31.823 0.079 0.000 0.670 309 V HN 0.422 nan 8.190 nan 0.000 0.461 310 D N -3.553 116.888 120.400 0.069 0.000 3.455 310 D HA 0.232 4.873 4.640 0.001 0.000 0.320 310 D C 0.831 177.160 176.300 0.048 0.000 1.401 310 D CA 0.141 54.175 54.000 0.058 0.000 0.982 310 D CB 1.058 41.887 40.800 0.048 0.000 1.397 310 D HN 0.094 nan 8.370 nan 0.000 0.607 311 Q N 0.414 120.237 119.800 0.037 0.000 2.245 311 Q HA 0.053 4.394 4.340 0.001 0.000 0.201 311 Q C -0.098 175.919 176.000 0.027 0.000 0.955 311 Q CA 1.101 56.920 55.803 0.028 0.000 0.870 311 Q CB -0.066 28.685 28.738 0.021 0.000 0.945 311 Q HN 0.186 nan 8.270 nan 0.000 0.461 312 S N 2.203 117.922 115.700 0.030 0.000 3.024 312 S HA 0.098 4.569 4.470 0.001 0.000 0.316 312 S C -0.390 174.231 174.600 0.035 0.000 1.197 312 S CA -0.228 57.989 58.200 0.029 0.000 1.097 312 S CB -0.472 62.745 63.200 0.029 0.000 1.471 312 S HN 0.319 nan 8.310 nan 0.000 0.543 313 N N 2.792 121.511 118.700 0.031 0.000 2.926 313 N HA 0.017 4.758 4.740 0.001 0.000 0.284 313 N C 1.198 176.729 175.510 0.036 0.000 1.303 313 N CA -0.067 53.005 53.050 0.036 0.000 1.062 313 N CB -0.029 38.476 38.487 0.030 0.000 1.389 313 N HN 0.828 nan 8.380 nan 0.000 0.538 314 E N -2.296 117.926 120.200 0.038 0.000 2.364 314 E HA 0.084 4.434 4.350 0.001 0.000 0.203 314 E C -0.291 176.335 176.600 0.045 0.000 0.888 314 E CA 0.208 56.629 56.400 0.036 0.000 0.989 314 E CB 0.215 29.932 29.700 0.030 0.000 0.985 314 E HN -0.114 nan 8.360 nan 0.000 0.499 315 T N 0.898 115.483 114.554 0.051 0.000 2.779 315 T HA 0.467 4.818 4.350 0.001 0.000 0.280 315 T C -1.016 173.732 174.700 0.079 0.000 0.987 315 T CA -0.567 61.570 62.100 0.061 0.000 0.966 315 T CB 1.417 70.318 68.868 0.056 0.000 0.933 315 T HN 0.156 nan 8.240 nan 0.000 0.442 316 c N 4.188 122.845 118.600 0.095 0.000 2.408 316 c HA 0.632 5.203 4.570 0.001 0.000 0.321 316 c C 0.305 174.489 174.090 0.158 0.000 1.245 316 c CA -0.993 55.412 56.329 0.127 0.000 1.523 316 c CB 0.851 43.441 42.510 0.133 0.000 2.178 316 c HN 0.980 nan 8.230 nan 0.000 0.488 317 M N 3.715 123.421 119.600 0.177 0.000 2.233 317 M HA 0.486 4.966 4.480 0.001 0.000 0.355 317 M C -0.887 175.587 176.300 0.291 0.000 1.191 317 M CA -0.194 55.218 55.300 0.186 0.000 1.101 317 M CB 0.628 33.297 32.600 0.114 0.000 1.592 317 M HN 0.669 nan 8.290 nan 0.000 0.461 318 F N 6.280 126.311 119.950 0.135 0.000 2.438 318 F HA 0.229 4.757 4.527 0.001 0.000 0.356 318 F C 1.076 176.963 175.800 0.144 0.000 1.099 318 F CA -0.974 57.128 58.000 0.169 0.000 1.185 318 F CB 0.511 39.634 39.000 0.205 0.000 1.115 318 F HN 0.685 nan 8.300 nan 0.000 0.526 319 I N 3.860 124.406 120.570 -0.039 0.000 2.657 319 I HA -0.111 4.059 4.170 0.001 0.000 0.261 319 I C 0.610 176.721 176.117 -0.009 0.000 1.212 319 I CA 1.022 62.390 61.300 0.113 0.000 1.453 319 I CB -0.484 37.742 38.000 0.378 0.000 1.092 319 I HN 0.335 nan 8.210 nan 0.000 0.452 320 I N 3.591 123.973 120.570 -0.315 0.000 2.357 320 I HA 0.131 4.301 4.170 0.001 0.000 0.300 320 I C 0.042 176.181 176.117 0.037 0.000 1.159 320 I CA -0.016 61.165 61.300 -0.198 0.000 1.339 320 I CB 0.099 37.865 38.000 -0.391 0.000 1.458 320 I HN 0.209 nan 8.210 nan 0.000 0.577 321 L N 9.055 130.257 121.223 -0.035 0.000 2.380 321 L HA 0.170 4.511 4.340 0.001 0.000 0.273 321 L C -1.041 175.769 176.870 -0.099 0.000 1.138 321 L CA -1.256 53.502 54.840 -0.137 0.000 0.832 321 L CB 0.877 42.824 42.059 -0.186 0.000 1.124 321 L HN 0.327 nan 8.230 nan 0.000 0.454 322 P HA -0.124 nan 4.420 nan 0.000 0.206 322 P C -0.456 176.750 177.300 -0.157 0.000 1.209 322 P CA 0.401 63.353 63.100 -0.246 0.000 0.923 322 P CB -0.412 30.915 31.700 -0.623 0.000 0.761 323 D N 1.036 121.324 120.400 -0.187 0.000 6.342 323 D HA 0.027 4.668 4.640 0.001 0.000 0.190 323 D C 0.811 177.063 176.300 -0.079 0.000 1.340 323 D CA 0.614 54.543 54.000 -0.118 0.000 0.816 323 D CB -1.537 39.196 40.800 -0.112 0.000 1.452 323 D HN 0.246 nan 8.370 nan 0.000 0.840 324 G N 2.319 111.075 108.800 -0.073 0.000 2.255 324 G HA2 0.353 4.314 3.960 0.001 0.000 0.267 324 G HA3 0.353 4.314 3.960 0.001 0.000 0.267 324 G C 1.025 175.900 174.900 -0.042 0.000 1.177 324 G CA -0.514 44.543 45.100 -0.071 0.000 1.027 324 G HN 0.693 nan 8.290 nan 0.000 0.437 325 G N 1.982 110.764 108.800 -0.030 0.000 3.591 325 G HA2 0.233 4.194 3.960 0.001 0.000 0.282 325 G HA3 0.233 4.194 3.960 0.001 0.000 0.282 325 G C 0.548 175.443 174.900 -0.008 0.000 1.238 325 G CA -0.463 44.637 45.100 0.000 0.000 0.993 325 G HN 0.828 nan 8.290 nan 0.000 0.542 326 N N -0.814 117.868 118.700 -0.029 0.000 2.846 326 N HA -0.108 4.633 4.740 0.001 0.000 0.262 326 N C 0.395 175.872 175.510 -0.055 0.000 1.137 326 N CA 1.189 54.219 53.050 -0.034 0.000 0.666 326 N CB -1.232 37.245 38.487 -0.016 0.000 0.945 326 N HN 1.444 nan 8.380 nan 0.000 0.567 327 Q N -1.365 118.392 119.800 -0.071 0.000 0.769 327 Q HA -0.181 4.160 4.340 0.001 0.000 0.245 327 Q C -1.627 174.265 176.000 -0.180 0.000 1.085 327 Q CA 0.732 56.506 55.803 -0.047 0.000 0.646 327 Q CB -1.127 nan 28.738 nan 0.000 4.581 327 Q HN 0.417 nan 8.270 nan 0.000 0.318 328 Y N 0.154 120.276 120.300 -0.297 0.000 2.417 328 Y HA 0.748 5.299 4.550 0.001 0.000 0.336 328 Y C 0.442 176.132 175.900 -0.351 0.000 0.961 328 Y CA -1.104 56.695 58.100 -0.502 0.000 1.215 328 Y CB 1.020 38.678 38.460 -1.336 0.000 1.120 328 Y HN 0.639 nan 8.280 nan 0.000 0.499 329 I N 3.937 124.486 120.570 -0.036 0.000 2.382 329 I HA 0.294 4.465 4.170 0.001 0.000 0.286 329 I C -0.685 175.393 176.117 -0.065 0.000 1.002 329 I CA -1.010 60.277 61.300 -0.022 0.000 1.135 329 I CB 1.568 39.572 38.000 0.007 0.000 1.288 329 I HN 0.189 nan 8.210 nan 0.000 0.448 330 V N 6.462 126.266 119.914 -0.183 0.000 2.313 330 V HA 0.251 4.372 4.120 0.001 0.000 0.252 330 V C 1.136 177.150 176.094 -0.134 0.000 1.112 330 V CA -0.306 61.710 62.300 -0.473 0.000 0.984 330 V CB 0.032 31.580 31.823 -0.457 0.000 1.157 330 V HN 0.900 nan 8.190 nan 0.000 0.493 331 G N 3.875 112.650 108.800 -0.040 0.000 2.611 331 G HA2 0.082 4.042 3.960 0.001 0.000 0.273 331 G HA3 0.082 4.042 3.960 0.001 0.000 0.273 331 G C 0.863 175.832 174.900 0.115 0.000 1.305 331 G CA 0.042 45.187 45.100 0.076 0.000 1.010 331 G HN 0.826 nan 8.290 nan 0.000 0.509 332 N N -1.070 117.685 118.700 0.092 0.000 2.459 332 N HA -0.062 4.679 4.740 0.001 0.000 0.181 332 N C 1.841 177.393 175.510 0.069 0.000 1.046 332 N CA 0.793 53.893 53.050 0.084 0.000 0.904 332 N CB -0.131 38.392 38.487 0.060 0.000 0.964 332 N HN 0.390 nan 8.380 nan 0.000 0.444 333 L N -1.535 119.750 121.223 0.104 0.000 2.201 333 L HA 0.012 4.353 4.340 0.001 0.000 0.212 333 L C 1.767 178.734 176.870 0.162 0.000 1.105 333 L CA 0.845 55.742 54.840 0.094 0.000 0.775 333 L CB -0.311 41.840 42.059 0.154 0.000 0.913 333 L HN 0.194 nan 8.230 nan 0.000 0.440 334 F N 0.008 120.050 119.950 0.153 0.000 2.317 334 F HA 0.015 4.542 4.527 0.001 0.000 0.290 334 F C 2.108 178.096 175.800 0.314 0.000 1.075 334 F CA 0.799 58.985 58.000 0.309 0.000 1.380 334 F CB 0.012 39.158 39.000 0.243 0.000 1.093 334 F HN -0.198 nan 8.300 nan 0.000 0.524 335 L N 1.222 122.723 121.223 0.464 0.000 2.042 335 L HA -0.260 4.080 4.340 0.001 0.000 0.210 335 L C 2.639 179.636 176.870 0.213 0.000 1.076 335 L CA 1.862 56.974 54.840 0.454 0.000 0.749 335 L CB -0.886 41.356 42.059 0.305 0.000 0.893 335 L HN 0.194 nan 8.230 nan 0.000 0.432 336 R N -0.040 120.370 120.500 -0.149 0.000 2.276 336 R HA -0.212 4.129 4.340 0.001 0.000 0.243 336 R C 1.361 177.370 176.300 -0.485 0.000 1.161 336 R CA 1.659 57.530 56.100 -0.381 0.000 1.007 336 R CB -0.798 29.170 30.300 -0.554 0.000 0.867 336 R HN 0.254 nan 8.270 nan 0.000 0.472 337 F N 0.037 119.846 119.950 -0.234 0.000 2.732 337 F HA 0.353 4.880 4.527 0.001 0.000 0.303 337 F C -0.090 175.225 175.800 -0.808 0.000 1.110 337 F CA -0.380 57.281 58.000 -0.565 0.000 1.355 337 F CB 0.123 38.620 39.000 -0.839 0.000 1.081 337 F HN -0.157 nan 8.300 nan 0.000 0.565 338 F N -1.605 118.415 119.950 0.116 0.000 2.599 338 F HA 0.487 5.015 4.527 0.001 0.000 0.311 338 F C -0.461 175.400 175.800 0.102 0.000 1.076 338 F CA -1.920 56.164 58.000 0.139 0.000 0.937 338 F CB 1.450 40.606 39.000 0.260 0.000 1.282 338 F HN -0.438 nan 8.300 nan 0.000 0.460 339 V N 2.784 122.845 119.914 0.245 0.000 2.348 339 V HA 0.491 4.612 4.120 0.001 0.000 0.270 339 V C -0.839 175.276 176.094 0.035 0.000 1.037 339 V CA -0.388 61.977 62.300 0.109 0.000 0.872 339 V CB 0.349 32.175 31.823 0.006 0.000 1.002 339 V HN 0.817 nan 8.190 nan 0.000 0.464 340 N N 5.167 123.845 118.700 -0.037 0.000 2.438 340 N HA 0.621 5.362 4.740 0.001 0.000 0.282 340 N C -1.057 174.192 175.510 -0.435 0.000 1.037 340 N CA -0.856 51.962 53.050 -0.387 0.000 0.942 340 N CB 2.152 40.363 38.487 -0.460 0.000 1.136 340 N HN 0.476 nan 8.380 nan 0.000 0.481 341 V N 2.514 122.032 119.914 -0.659 0.000 2.394 341 V HA 0.206 4.327 4.120 0.001 0.000 0.282 341 V C -0.999 174.627 176.094 -0.780 0.000 1.031 341 V CA -0.598 61.412 62.300 -0.484 0.000 0.881 341 V CB -0.037 31.606 31.823 -0.299 0.000 0.982 341 V HN 0.621 nan 8.190 nan 0.000 0.451 342 Y N 2.319 122.113 120.300 -0.843 0.000 2.587 342 Y HA 0.370 4.921 4.550 0.001 0.000 0.328 342 Y C 0.321 175.861 175.900 -0.600 0.000 0.980 342 Y CA -1.140 56.223 58.100 -1.229 0.000 1.272 342 Y CB 0.855 37.851 38.460 -2.441 0.000 1.094 342 Y HN 0.562 nan 8.280 nan 0.000 0.503 343 D N 4.006 124.383 120.400 -0.038 0.000 2.441 343 D HA 0.033 4.674 4.640 0.001 0.000 0.221 343 D C 0.366 176.845 176.300 0.299 0.000 1.156 343 D CA -0.453 53.575 54.000 0.048 0.000 0.896 343 D CB 0.121 40.898 40.800 -0.039 0.000 1.028 343 D HN 0.462 nan 8.370 nan 0.000 0.509 344 F N 1.320 121.460 119.950 0.316 0.000 2.811 344 F HA 0.370 4.897 4.527 0.001 0.000 0.301 344 F C 1.573 177.400 175.800 0.044 0.000 1.151 344 F CA -0.436 57.714 58.000 0.250 0.000 1.412 344 F CB -0.031 39.158 39.000 0.314 0.000 1.113 344 F HN 0.246 nan 8.300 nan 0.000 0.579 345 G N 0.884 109.529 108.800 -0.259 0.000 2.510 345 G HA2 -0.080 3.881 3.960 0.001 0.000 0.212 345 G HA3 -0.080 3.881 3.960 0.001 0.000 0.212 345 G C 0.878 175.702 174.900 -0.127 0.000 1.151 345 G CA 0.179 45.130 45.100 -0.247 0.000 0.817 345 G HN 0.367 nan 8.290 nan 0.000 0.534 346 N N 0.738 119.367 118.700 -0.119 0.000 2.187 346 N HA 0.104 4.845 4.740 0.001 0.000 0.212 346 N C -0.022 175.455 175.510 -0.055 0.000 1.152 346 N CA -0.420 52.571 53.050 -0.099 0.000 0.872 346 N CB 0.258 38.658 38.487 -0.146 0.000 1.025 346 N HN 0.114 nan 8.380 nan 0.000 0.514 347 N N 1.375 120.073 118.700 -0.003 0.000 2.696 347 N HA -0.205 4.536 4.740 0.001 0.000 0.256 347 N C -0.878 174.731 175.510 0.164 0.000 1.031 347 N CA 0.765 53.849 53.050 0.056 0.000 0.730 347 N CB -0.716 37.630 38.487 -0.236 0.000 0.894 347 N HN 0.475 nan 8.380 nan 0.000 0.544 348 R N 0.130 120.751 120.500 0.202 0.000 2.888 348 R HA 0.745 5.085 4.340 0.001 0.000 0.266 348 R C 0.014 176.468 176.300 0.258 0.000 1.020 348 R CA -0.774 55.433 56.100 0.179 0.000 0.963 348 R CB 1.674 31.951 30.300 -0.038 0.000 1.197 348 R HN 0.073 nan 8.270 nan 0.000 0.481 349 I N 0.593 121.282 120.570 0.199 0.000 2.466 349 I HA 0.421 4.591 4.170 0.001 0.000 0.289 349 I C 0.156 176.111 176.117 -0.270 0.000 1.026 349 I CA -0.699 60.509 61.300 -0.152 0.000 1.078 349 I CB 2.261 40.125 38.000 -0.226 0.000 1.249 349 I HN 0.701 nan 8.210 nan 0.000 0.429 350 G N 4.854 113.251 108.800 -0.672 0.000 2.441 350 G HA2 0.805 4.766 3.960 0.001 0.000 0.334 350 G HA3 0.805 4.766 3.960 0.001 0.000 0.334 350 G C -1.457 172.874 174.900 -0.948 0.000 1.161 350 G CA -0.289 44.256 45.100 -0.926 0.000 0.935 350 G HN 0.341 nan 8.290 nan 0.000 0.488 351 F N -0.098 119.602 119.950 -0.417 0.000 2.588 351 F HA 0.644 5.172 4.527 0.001 0.000 0.318 351 F C 0.134 175.843 175.800 -0.150 0.000 1.155 351 F CA -0.719 57.125 58.000 -0.259 0.000 0.967 351 F CB 2.516 41.319 39.000 -0.330 0.000 1.236 351 F HN 0.733 nan 8.300 nan 0.000 0.455 352 A N 4.401 127.317 122.820 0.160 0.000 2.422 352 A HA 0.902 5.223 4.320 0.001 0.000 0.302 352 A C -3.094 174.623 177.584 0.222 0.000 1.041 352 A CA -1.996 50.109 52.037 0.114 0.000 0.708 352 A CB 1.842 20.841 19.000 -0.001 0.000 1.257 352 A HN 0.355 nan 8.150 nan 0.000 0.414 353 P HA 0.306 nan 4.420 nan 0.000 0.272 353 P C -0.630 176.692 177.300 0.037 0.000 1.223 353 P CA -0.146 63.029 63.100 0.125 0.000 0.784 353 P CB 0.487 32.234 31.700 0.079 0.000 0.923 354 L N 1.570 122.788 121.223 -0.008 0.000 2.367 354 L HA 0.310 4.650 4.340 0.001 0.000 0.275 354 L C 0.934 177.817 176.870 0.022 0.000 1.129 354 L CA -0.643 54.193 54.840 -0.007 0.000 0.839 354 L CB 0.269 42.339 42.059 0.019 0.000 1.133 354 L HN 0.420 nan 8.230 nan 0.000 0.453 355 A N 2.903 125.757 122.820 0.057 0.000 2.531 355 A HA 0.083 4.404 4.320 0.001 0.000 0.236 355 A C 1.442 179.058 177.584 0.053 0.000 1.062 355 A CA 0.088 52.171 52.037 0.077 0.000 0.760 355 A CB 0.253 19.340 19.000 0.145 0.000 0.995 355 A HN 0.902 nan 8.150 nan 0.000 0.501 356 S N 1.937 117.634 115.700 -0.005 0.000 2.409 356 S HA -0.295 4.176 4.470 0.001 0.000 0.237 356 S C 2.053 176.589 174.600 -0.107 0.000 1.060 356 S CA 1.912 60.085 58.200 -0.045 0.000 1.052 356 S CB -0.460 62.710 63.200 -0.049 0.000 0.871 356 S HN 1.161 nan 8.310 nan 0.000 0.465 357 A N -0.420 122.276 122.820 -0.207 0.000 2.172 357 A HA 0.040 4.360 4.320 0.001 0.000 0.216 357 A C 1.225 178.396 177.584 -0.688 0.000 1.154 357 A CA 0.883 52.629 52.037 -0.485 0.000 0.701 357 A CB -0.398 18.184 19.000 -0.697 0.000 0.789 357 A HN 0.655 nan 8.150 nan 0.000 0.465 358 Y N -0.184 120.092 120.300 -0.040 0.000 2.563 358 Y HA 0.168 4.719 4.550 0.001 0.000 0.250 358 Y C 0.618 176.535 175.900 0.027 0.000 1.126 358 Y CA -0.749 57.337 58.100 -0.023 0.000 1.231 358 Y CB 0.281 38.649 38.460 -0.154 0.000 1.288 358 Y HN 0.360 nan 8.280 nan 0.000 0.537 359 E N 1.861 122.123 120.200 0.103 0.000 2.392 359 E HA -0.018 4.332 4.350 0.001 0.000 0.264 359 E C -0.727 175.947 176.600 0.123 0.000 1.024 359 E CA -0.037 56.425 56.400 0.103 0.000 0.903 359 E CB 0.633 30.357 29.700 0.039 0.000 0.963 359 E HN 0.220 nan 8.360 nan 0.000 0.432 360 N N 3.289 122.092 118.700 0.171 0.000 2.475 360 N HA 0.087 4.828 4.740 0.001 0.000 0.267 360 N C -0.433 175.195 175.510 0.195 0.000 1.169 360 N CA 0.261 53.402 53.050 0.152 0.000 0.947 360 N CB 0.628 39.139 38.487 0.041 0.000 1.061 360 N HN 0.483 nan 8.380 nan 0.000 0.466 361 E N 0.000 120.267 120.200 0.111 0.000 2.725 361 E HA 0.000 4.351 4.350 0.001 0.000 0.291 361 E CA 0.000 56.445 56.400 0.075 0.000 0.976 361 E CB 0.000 29.761 29.700 0.101 0.000 0.812 361 E HN 0.000 nan 8.360 nan 0.000 0.440