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 1mpt_1_A DATA FIRST_RESID 1 DATA SEQUENCE AQSVPWGISR VQAPAAHNRG LTGSGVKVAV LDTGIXSTHP DLNIRGGASF DATA SEQUENCE VPGEXPSTQD GNGHGTHVAG TIAALNNSIG VLGVAPSAEL YAVKVLGASG DATA SEQUENCE SGSVSSIAQG LEWAGNNGMH VANLSLGSPS PSATLEQAVN SATSRGVLVV DATA SEQUENCE AASGNSGAGS XXXXISYPAR YANAMAVGAT DQNNNRASFS QYGAGLDIVA DATA SEQUENCE PGVNVQSTYP GSTYASLNGT SMATPHVAGV AALVKQKNPS WSNVQIRNHL DATA SEQUENCE KNTATGLGNT NLYGSGLVNA EAATR 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.549 177.584 -0.059 0.000 1.274 1 A CA 0.000 52.016 52.037 -0.034 0.000 0.836 1 A CB 0.000 18.985 19.000 -0.025 0.000 0.831 2 Q N 0.419 120.190 119.800 -0.048 0.000 2.241 2 Q HA 0.641 4.976 4.340 -0.007 0.000 0.254 2 Q C -0.630 175.337 176.000 -0.055 0.000 0.917 2 Q CA -0.157 55.610 55.803 -0.061 0.000 0.919 2 Q CB 1.097 29.813 28.738 -0.037 0.000 1.237 2 Q HN 0.867 nan 8.270 nan 0.000 0.434 3 S N 1.436 117.090 115.700 -0.076 0.000 2.568 3 S HA 0.606 5.071 4.470 -0.007 0.000 0.302 3 S C -0.742 173.844 174.600 -0.023 0.000 1.082 3 S CA -0.907 57.267 58.200 -0.043 0.000 1.009 3 S CB 1.835 65.005 63.200 -0.050 0.000 1.069 3 S HN 0.418 nan 8.310 nan 0.000 0.500 4 V N 2.930 122.848 119.914 0.007 0.000 2.277 4 V HA 0.328 4.444 4.120 -0.007 0.000 0.269 4 V C -2.270 173.849 176.094 0.042 0.000 1.036 4 V CA -1.674 60.640 62.300 0.024 0.000 0.821 4 V CB 0.098 31.944 31.823 0.039 0.000 1.052 4 V HN 0.738 nan 8.190 nan 0.000 0.462 5 P HA -0.080 nan 4.420 nan 0.000 0.267 5 P C 1.163 178.513 177.300 0.084 0.000 1.195 5 P CA -0.036 63.093 63.100 0.050 0.000 0.773 5 P CB 0.444 32.133 31.700 -0.019 0.000 0.837 6 W N 1.908 123.235 121.300 0.045 0.000 2.321 6 W HA -0.163 4.494 4.660 -0.005 0.000 0.306 6 W C 1.321 177.866 176.519 0.042 0.000 1.217 6 W CA 1.485 58.851 57.345 0.035 0.000 1.257 6 W CB -1.991 27.484 29.460 0.026 0.000 1.145 6 W HN 0.412 nan 8.180 nan 0.000 0.509 7 G N 2.467 110.836 108.800 -0.717 0.000 2.408 7 G HA2 -0.260 3.695 3.960 -0.007 0.000 0.217 7 G HA3 -0.260 3.695 3.960 -0.007 0.000 0.217 7 G C 1.605 176.381 174.900 -0.207 0.000 1.150 7 G CA 1.691 46.312 45.100 -0.798 0.000 0.776 7 G HN 0.474 nan 8.290 nan 0.000 0.542 8 I N -0.510 120.028 120.570 -0.052 0.000 2.394 8 I HA 0.008 4.174 4.170 -0.007 0.000 0.251 8 I C 2.441 178.564 176.117 0.010 0.000 1.136 8 I CA 1.968 63.278 61.300 0.016 0.000 1.425 8 I CB -0.122 37.892 38.000 0.024 0.000 1.079 8 I HN 0.001 nan 8.210 nan 0.000 0.425 9 S N 0.836 116.553 115.700 0.029 0.000 2.345 9 S HA -0.097 4.369 4.470 -0.007 0.000 0.219 9 S C 2.037 176.660 174.600 0.039 0.000 1.031 9 S CA 1.242 59.468 58.200 0.044 0.000 0.984 9 S CB -0.473 62.776 63.200 0.082 0.000 0.874 9 S HN 0.412 nan 8.310 nan 0.000 0.451 10 R N 1.463 122.001 120.500 0.065 0.000 2.113 10 R HA -0.046 4.290 4.340 -0.007 0.000 0.244 10 R C 1.844 178.147 176.300 0.006 0.000 1.142 10 R CA 1.362 57.502 56.100 0.068 0.000 0.953 10 R CB -1.119 29.264 30.300 0.138 0.000 0.860 10 R HN 0.270 nan 8.270 nan 0.000 0.438 11 V N 1.164 121.063 119.914 -0.025 0.000 3.305 11 V HA -0.108 4.008 4.120 -0.007 0.000 0.269 11 V C 0.432 176.511 176.094 -0.025 0.000 1.157 11 V CA 1.146 63.433 62.300 -0.022 0.000 1.157 11 V CB -0.696 31.129 31.823 0.004 0.000 0.772 11 V HN 0.575 nan 8.190 nan 0.000 0.498 12 Q N -1.537 118.246 119.800 -0.029 0.000 2.457 12 Q HA -0.344 3.992 4.340 -0.007 0.000 0.283 12 Q C 1.467 177.399 176.000 -0.114 0.000 1.234 12 Q CA 0.425 56.198 55.803 -0.050 0.000 0.877 12 Q CB -1.638 27.077 28.738 -0.039 0.000 1.250 12 Q HN 0.690 nan 8.270 nan 0.000 0.481 13 A N 0.459 123.186 122.820 -0.155 0.000 1.883 13 A HA -0.135 4.181 4.320 -0.007 0.000 0.217 13 A C -0.448 176.711 177.584 -0.707 0.000 1.186 13 A CA 1.759 53.578 52.037 -0.364 0.000 0.624 13 A CB -0.980 17.875 19.000 -0.243 0.000 0.822 13 A HN 0.408 nan 8.150 nan 0.000 0.444 14 P HA -0.195 nan 4.420 nan 0.000 0.216 14 P C 1.640 178.866 177.300 -0.123 0.000 1.150 14 P CA 2.131 65.134 63.100 -0.161 0.000 0.843 14 P CB -0.198 31.509 31.700 0.013 0.000 0.787 15 A N -0.046 122.703 122.820 -0.119 0.000 1.902 15 A HA -0.075 4.241 4.320 -0.007 0.000 0.217 15 A C 2.386 179.928 177.584 -0.069 0.000 1.181 15 A CA 2.137 54.136 52.037 -0.064 0.000 0.623 15 A CB -1.533 17.439 19.000 -0.047 0.000 0.818 15 A HN 0.216 nan 8.150 nan 0.000 0.443 16 A N -0.457 122.279 122.820 -0.140 0.000 1.877 16 A HA -0.169 4.147 4.320 -0.007 0.000 0.216 16 A C 1.869 179.439 177.584 -0.023 0.000 1.186 16 A CA 1.661 53.639 52.037 -0.098 0.000 0.620 16 A CB -1.076 17.841 19.000 -0.138 0.000 0.822 16 A HN 0.755 nan 8.150 nan 0.000 0.443 17 H N -0.239 118.828 119.070 -0.004 0.000 2.387 17 H HA -0.119 4.437 4.556 0.000 0.000 0.299 17 H C 1.887 177.211 175.328 -0.007 0.000 1.099 17 H CA 1.056 57.099 56.048 -0.007 0.000 1.315 17 H CB -0.028 29.730 29.762 -0.006 0.000 1.380 17 H HN 0.410 nan 8.280 nan 0.000 0.513 18 N N 0.905 119.667 118.700 0.105 0.000 2.223 18 N HA -0.095 4.641 4.740 -0.007 0.000 0.185 18 N C 1.195 176.727 175.510 0.035 0.000 1.016 18 N CA 0.938 54.021 53.050 0.055 0.000 0.863 18 N CB -0.054 38.452 38.487 0.032 0.000 0.983 18 N HN 0.418 nan 8.380 nan 0.000 0.429 19 R N -0.174 120.343 120.500 0.028 0.000 2.335 19 R HA 0.206 4.542 4.340 -0.007 0.000 0.223 19 R C 0.730 177.039 176.300 0.015 0.000 0.940 19 R CA 0.390 56.498 56.100 0.013 0.000 1.086 19 R CB 0.102 30.402 30.300 0.001 0.000 1.073 19 R HN 0.126 nan 8.270 nan 0.000 0.504 20 G N 0.911 109.731 108.800 0.033 0.000 2.147 20 G HA2 -0.211 3.745 3.960 -0.007 0.000 0.244 20 G HA3 -0.211 3.745 3.960 -0.007 0.000 0.244 20 G C -0.290 174.629 174.900 0.032 0.000 1.005 20 G CA -0.424 44.693 45.100 0.028 0.000 0.713 20 G HN 0.089 nan 8.290 nan 0.000 0.515 21 L N 0.850 122.108 121.223 0.059 0.000 2.262 21 L HA 0.640 4.976 4.340 -0.007 0.000 0.288 21 L C 1.210 178.164 176.870 0.140 0.000 1.035 21 L CA 0.837 55.710 54.840 0.056 0.000 0.820 21 L CB 0.864 42.939 42.059 0.027 0.000 1.204 21 L HN 0.196 nan 8.230 nan 0.000 0.424 22 T N 0.677 115.275 114.554 0.074 0.000 2.975 22 T HA 0.277 4.623 4.350 -0.007 0.000 0.257 22 T C 1.090 175.811 174.700 0.035 0.000 1.003 22 T CA 0.637 62.767 62.100 0.049 0.000 0.932 22 T CB 0.230 69.079 68.868 -0.031 0.000 1.087 22 T HN 0.873 nan 8.240 nan 0.000 0.512 23 G N 1.241 110.056 108.800 0.026 0.000 2.144 23 G HA2 -0.196 3.760 3.960 -0.007 0.000 0.218 23 G HA3 -0.196 3.760 3.960 -0.007 0.000 0.218 23 G C 0.191 175.089 174.900 -0.003 0.000 0.988 23 G CA 0.392 45.500 45.100 0.014 0.000 0.659 23 G HN 0.650 nan 8.290 nan 0.000 0.522 24 S N -0.270 115.423 115.700 -0.011 0.000 2.560 24 S HA 0.476 4.942 4.470 -0.007 0.000 0.284 24 S C 1.799 176.386 174.600 -0.022 0.000 1.327 24 S CA 1.748 59.940 58.200 -0.013 0.000 1.055 24 S CB 0.524 63.714 63.200 -0.016 0.000 0.868 24 S HN 2.174 nan 8.310 nan 0.000 0.506 25 G N 2.192 110.990 108.800 -0.003 0.000 2.162 25 G HA2 -0.211 3.744 3.960 -0.007 0.000 0.260 25 G HA3 -0.211 3.744 3.960 -0.007 0.000 0.260 25 G C -0.036 174.853 174.900 -0.019 0.000 0.976 25 G CA 0.275 45.374 45.100 -0.001 0.000 0.655 25 G HN 0.957 nan 8.290 nan 0.000 0.533 26 V N 0.859 120.769 119.914 -0.006 0.000 2.459 26 V HA 0.472 4.588 4.120 -0.007 0.000 0.295 26 V C 0.354 176.576 176.094 0.212 0.000 1.029 26 V CA -0.972 61.326 62.300 -0.002 0.000 0.874 26 V CB 1.802 33.585 31.823 -0.068 0.000 0.985 26 V HN 0.257 nan 8.190 nan 0.000 0.438 27 K N 3.663 124.340 120.400 0.462 0.000 2.262 27 K HA 0.586 4.902 4.320 -0.007 0.000 0.282 27 K C -1.104 175.709 176.600 0.354 0.000 1.066 27 K CA -0.430 56.122 56.287 0.441 0.000 0.901 27 K CB 1.730 34.441 32.500 0.351 0.000 1.089 27 K HN 0.460 nan 8.250 nan 0.000 0.476 28 V N 2.481 122.594 119.914 0.331 0.000 2.378 28 V HA 0.382 4.498 4.120 -0.007 0.000 0.288 28 V C -0.030 176.250 176.094 0.309 0.000 1.016 28 V CA -1.004 61.450 62.300 0.256 0.000 0.840 28 V CB 1.336 33.261 31.823 0.170 0.000 0.994 28 V HN 0.856 nan 8.190 nan 0.000 0.431 29 A N 4.558 127.542 122.820 0.273 0.000 2.310 29 A HA 0.812 5.128 4.320 -0.007 0.000 0.299 29 A C -0.485 177.213 177.584 0.189 0.000 1.147 29 A CA -0.482 51.727 52.037 0.287 0.000 0.818 29 A CB 1.249 20.424 19.000 0.292 0.000 1.096 29 A HN 0.713 nan 8.150 nan 0.000 0.495 30 V N 3.553 123.563 119.914 0.161 0.000 2.349 30 V HA 0.227 4.342 4.120 -0.007 0.000 0.284 30 V C -0.845 175.312 176.094 0.106 0.000 1.014 30 V CA -0.215 62.155 62.300 0.117 0.000 0.826 30 V CB 0.921 32.798 31.823 0.090 0.000 1.009 30 V HN 0.695 nan 8.190 nan 0.000 0.431 31 L N 5.654 126.942 121.223 0.107 0.000 2.334 31 L HA 0.563 4.899 4.340 -0.007 0.000 0.286 31 L C 0.211 177.131 176.870 0.082 0.000 1.108 31 L CA 0.961 55.857 54.840 0.093 0.000 0.875 31 L CB -0.019 42.097 42.059 0.095 0.000 1.246 31 L HN 0.650 nan 8.230 nan 0.000 0.439 32 D N -0.575 119.865 120.400 0.067 0.000 3.103 32 D HA 0.135 4.771 4.640 -0.007 0.000 0.337 32 D C 0.762 177.077 176.300 0.025 0.000 1.356 32 D CA 0.317 54.354 54.000 0.062 0.000 0.951 32 D CB 1.452 42.332 40.800 0.134 0.000 1.438 32 D HN 0.289 nan 8.370 nan 0.000 0.562 33 T N -1.184 113.382 114.554 0.021 0.000 3.163 33 T HA 0.440 4.785 4.350 -0.007 0.000 0.260 33 T C 0.964 175.656 174.700 -0.013 0.000 1.156 33 T CA 1.091 63.186 62.100 -0.008 0.000 1.072 33 T CB -0.322 68.537 68.868 -0.015 0.000 0.937 33 T HN 0.801 nan 8.240 nan 0.000 0.528 34 G N 0.129 108.926 108.800 -0.005 0.000 2.353 34 G HA2 0.248 4.204 3.960 -0.007 0.000 0.615 34 G HA3 0.248 4.204 3.960 -0.007 0.000 0.615 34 G C -1.221 173.669 174.900 -0.017 0.000 1.280 34 G CA -0.636 44.448 45.100 -0.026 0.000 1.000 34 G HN 0.444 nan 8.290 nan 0.000 0.516 38 T N 3.644 118.193 114.554 -0.009 0.000 2.928 38 T HA 0.255 4.601 4.350 -0.007 0.000 0.305 38 T C -0.365 174.366 174.700 0.052 0.000 1.035 38 T CA 0.630 62.736 62.100 0.010 0.000 1.145 38 T CB -0.131 68.729 68.868 -0.014 0.000 0.963 38 T HN 0.530 nan 8.240 nan 0.000 0.545 39 H N 3.964 122.999 119.070 -0.059 0.000 3.038 39 H HA 0.250 4.800 4.556 -0.009 0.000 0.362 39 H C -2.168 173.137 175.328 -0.038 0.000 1.167 39 H CA -1.928 54.081 56.048 -0.067 0.000 1.197 39 H CB 2.476 32.180 29.762 -0.097 0.000 1.840 39 H HN 0.299 nan 8.280 nan 0.000 0.540 40 P HA -0.140 nan 4.420 nan 0.000 0.217 40 P C 0.582 177.983 177.300 0.167 0.000 1.148 40 P CA 1.235 64.372 63.100 0.062 0.000 0.828 40 P CB 0.449 32.143 31.700 -0.009 0.000 0.783 41 D N -1.258 119.364 120.400 0.370 0.000 2.395 41 D HA 0.213 4.849 4.640 -0.007 0.000 0.226 41 D C -0.284 176.065 176.300 0.082 0.000 1.146 41 D CA -0.115 54.015 54.000 0.218 0.000 0.830 41 D CB -0.292 40.679 40.800 0.284 0.000 0.958 41 D HN -0.036 nan 8.370 nan 0.000 0.501 42 L N 0.329 121.596 121.223 0.073 0.000 2.371 42 L HA 0.491 4.827 4.340 -0.007 0.000 0.262 42 L C -0.819 176.049 176.870 -0.004 0.000 1.006 42 L CA -0.875 53.965 54.840 -0.001 0.000 0.818 42 L CB 2.091 44.141 42.059 -0.015 0.000 1.354 42 L HN -0.200 nan 8.230 nan 0.000 0.415 43 N N 1.922 120.603 118.700 -0.032 0.000 2.540 43 N HA 0.559 5.295 4.740 -0.007 0.000 0.275 43 N C -1.611 173.852 175.510 -0.077 0.000 1.053 43 N CA -0.193 52.831 53.050 -0.044 0.000 0.876 43 N CB 0.841 39.303 38.487 -0.042 0.000 1.284 43 N HN 0.466 nan 8.380 nan 0.000 0.518 44 I N 3.317 123.839 120.570 -0.079 0.000 2.339 44 I HA 0.356 4.522 4.170 -0.007 0.000 0.290 44 I C 1.342 177.364 176.117 -0.158 0.000 0.994 44 I CA -0.749 60.479 61.300 -0.121 0.000 1.191 44 I CB 1.489 39.443 38.000 -0.076 0.000 1.343 44 I HN 0.418 nan 8.210 nan 0.000 0.458 45 R N 3.798 124.108 120.500 -0.316 0.000 2.173 45 R HA 0.333 4.669 4.340 -0.007 0.000 0.208 45 R C 0.679 176.881 176.300 -0.164 0.000 1.035 45 R CA 0.197 56.099 56.100 -0.331 0.000 1.004 45 R CB 0.340 30.255 30.300 -0.641 0.000 0.917 45 R HN 0.903 nan 8.270 nan 0.000 0.462 46 G N -1.897 106.838 108.800 -0.109 0.000 2.325 46 G HA2 0.407 4.363 3.960 -0.007 0.000 0.295 46 G HA3 0.407 4.363 3.960 -0.007 0.000 0.295 46 G C -0.953 174.108 174.900 0.268 0.000 1.274 46 G CA -0.211 45.022 45.100 0.221 0.000 0.857 46 G HN 0.408 nan 8.290 nan 0.000 0.499 47 G N -1.899 107.006 108.800 0.175 0.000 2.344 47 G HA2 0.809 4.765 3.960 -0.007 0.000 0.282 47 G HA3 0.809 4.765 3.960 -0.007 0.000 0.282 47 G C -0.969 173.652 174.900 -0.464 0.000 1.281 47 G CA 1.052 46.014 45.100 -0.230 0.000 0.877 47 G HN 2.457 nan 8.290 nan 0.000 0.494 48 A N -1.291 121.128 122.820 -0.669 0.000 2.608 48 A HA 0.921 5.237 4.320 -0.007 0.000 0.292 48 A C -0.672 176.508 177.584 -0.673 0.000 1.066 48 A CA 0.489 52.105 52.037 -0.702 0.000 0.676 48 A CB 1.295 19.657 19.000 -1.063 0.000 1.277 48 A HN 2.070 nan 8.150 nan 0.000 0.413 49 S N -0.540 114.732 115.700 -0.712 0.000 2.482 49 S HA 0.752 5.218 4.470 -0.007 0.000 0.303 49 S C -1.041 173.047 174.600 -0.853 0.000 1.091 49 S CA -0.323 57.548 58.200 -0.548 0.000 1.057 49 S CB 0.289 63.305 63.200 -0.306 0.000 1.031 49 S HN 0.661 nan 8.310 nan 0.000 0.485 50 F N 2.956 122.853 119.950 -0.089 0.000 2.724 50 F HA 0.375 4.897 4.527 -0.008 0.000 0.310 50 F C -0.023 175.754 175.800 -0.039 0.000 1.107 50 F CA -0.267 57.700 58.000 -0.055 0.000 1.218 50 F CB 0.858 39.830 39.000 -0.046 0.000 1.042 50 F HN 0.280 nan 8.300 nan 0.000 0.540 51 V N 2.621 122.543 119.914 0.014 0.000 2.370 51 V HA 0.343 4.459 4.120 -0.007 0.000 0.279 51 V C -2.126 173.964 176.094 -0.007 0.000 1.029 51 V CA -2.067 60.240 62.300 0.013 0.000 0.870 51 V CB 1.224 33.042 31.823 -0.008 0.000 0.984 51 V HN -0.083 nan 8.190 nan 0.000 0.451 52 P HA 0.315 nan 4.420 nan 0.000 0.266 52 P C 0.926 178.219 177.300 -0.012 0.000 1.215 52 P CA 0.954 64.054 63.100 0.001 0.000 0.763 52 P CB 0.724 32.430 31.700 0.010 0.000 0.806 53 G N 2.129 110.917 108.800 -0.020 0.000 2.232 53 G HA2 -0.182 3.773 3.960 -0.007 0.000 0.226 53 G HA3 -0.182 3.773 3.960 -0.007 0.000 0.226 53 G C 0.066 174.947 174.900 -0.032 0.000 0.996 53 G CA -0.246 44.840 45.100 -0.023 0.000 0.626 53 G HN 0.539 nan 8.290 nan 0.000 0.509 57 S N -0.983 114.651 115.700 -0.110 0.000 2.965 57 S HA 0.057 4.523 4.470 -0.007 0.000 0.165 57 S C 1.513 176.061 174.600 -0.087 0.000 0.735 57 S CA 1.173 59.301 58.200 -0.121 0.000 0.985 57 S CB -1.388 61.721 63.200 -0.151 0.000 0.675 57 S HN 0.518 nan 8.310 nan 0.000 0.592 58 T N 2.269 116.776 114.554 -0.077 0.000 2.950 58 T HA -0.096 4.250 4.350 -0.007 0.000 0.264 58 T C -0.016 174.651 174.700 -0.055 0.000 1.133 58 T CA 1.348 63.413 62.100 -0.058 0.000 1.127 58 T CB -0.600 68.238 68.868 -0.049 0.000 0.792 58 T HN 0.385 nan 8.240 nan 0.000 0.570 59 Q N 2.152 121.916 119.800 -0.061 0.000 2.421 59 Q HA 0.310 4.646 4.340 -0.007 0.000 0.242 59 Q C -0.641 175.322 176.000 -0.061 0.000 1.024 59 Q CA -0.388 55.380 55.803 -0.058 0.000 0.891 59 Q CB 0.889 29.594 28.738 -0.054 0.000 1.222 59 Q HN 0.222 nan 8.270 nan 0.000 0.483 60 D N 0.979 121.340 120.400 -0.066 0.000 2.280 60 D HA 0.289 4.924 4.640 -0.007 0.000 0.243 60 D C 0.816 177.066 176.300 -0.083 0.000 1.129 60 D CA -0.294 53.664 54.000 -0.070 0.000 0.848 60 D CB 1.114 41.866 40.800 -0.079 0.000 1.107 60 D HN 0.592 nan 8.370 nan 0.000 0.471 61 G N 3.610 112.370 108.800 -0.067 0.000 3.088 61 G HA2 -0.138 3.818 3.960 -0.007 0.000 0.217 61 G HA3 -0.138 3.818 3.960 -0.007 0.000 0.217 61 G C 1.097 175.958 174.900 -0.065 0.000 1.159 61 G CA -0.189 44.873 45.100 -0.063 0.000 0.760 61 G HN 0.532 nan 8.290 nan 0.000 0.550 62 N N 0.171 118.830 118.700 -0.068 0.000 2.513 62 N HA 0.151 4.887 4.740 -0.007 0.000 0.196 62 N C 1.748 177.196 175.510 -0.103 0.000 1.041 62 N CA 1.613 54.636 53.050 -0.046 0.000 0.916 62 N CB 0.479 38.960 38.487 -0.010 0.000 1.172 62 N HN 0.286 nan 8.380 nan 0.000 0.444 63 G N 0.200 108.900 108.800 -0.167 0.000 2.316 63 G HA2 -0.215 3.741 3.960 -0.007 0.000 0.203 63 G HA3 -0.215 3.741 3.960 -0.007 0.000 0.203 63 G C 0.919 175.811 174.900 -0.014 0.000 0.999 63 G CA 0.440 45.297 45.100 -0.405 0.000 0.649 63 G HN 0.534 nan 8.290 nan 0.000 0.489 64 H N 1.430 120.508 119.070 0.014 0.000 2.293 64 H HA -0.063 4.489 4.556 -0.007 0.000 0.300 64 H C 2.728 178.097 175.328 0.070 0.000 1.082 64 H CA 2.894 58.980 56.048 0.064 0.000 1.308 64 H CB -0.722 29.055 29.762 0.024 0.000 1.375 64 H HN 0.423 nan 8.280 nan 0.000 0.495 65 G N -0.625 108.304 108.800 0.215 0.000 2.422 65 G HA2 -0.241 3.714 3.960 -0.007 0.000 0.218 65 G HA3 -0.241 3.714 3.960 -0.007 0.000 0.218 65 G C 1.803 176.740 174.900 0.063 0.000 1.146 65 G CA 1.320 46.501 45.100 0.135 0.000 0.769 65 G HN 0.452 nan 8.290 nan 0.000 0.547 66 T N -0.224 114.346 114.554 0.026 0.000 2.746 66 T HA -0.123 4.222 4.350 -0.007 0.000 0.267 66 T C 2.020 176.726 174.700 0.011 0.000 1.039 66 T CA 1.240 63.329 62.100 -0.018 0.000 1.142 66 T CB -0.376 68.442 68.868 -0.083 0.000 0.866 66 T HN 0.380 nan 8.240 nan 0.000 0.444 67 H N 0.837 119.908 119.070 0.002 0.000 2.293 67 H HA -0.039 4.514 4.556 -0.005 0.000 0.300 67 H C 2.342 177.639 175.328 -0.051 0.000 1.082 67 H CA 1.526 57.586 56.048 0.019 0.000 1.308 67 H CB -0.472 29.337 29.762 0.078 0.000 1.375 67 H HN 0.136 nan 8.280 nan 0.000 0.495 68 V N 1.351 121.329 119.914 0.107 0.000 2.282 68 V HA -0.317 3.799 4.120 -0.007 0.000 0.249 68 V C 3.003 179.087 176.094 -0.018 0.000 1.057 68 V CA 1.920 64.242 62.300 0.037 0.000 1.032 68 V CB -1.207 30.645 31.823 0.049 0.000 0.645 68 V HN 0.592 nan 8.190 nan 0.000 0.447 69 A N 0.095 122.904 122.820 -0.018 0.000 1.969 69 A HA -0.013 4.303 4.320 -0.007 0.000 0.218 69 A C 2.387 179.920 177.584 -0.085 0.000 1.169 69 A CA 1.646 53.660 52.037 -0.038 0.000 0.635 69 A CB -1.035 17.948 19.000 -0.028 0.000 0.810 69 A HN 0.543 nan 8.150 nan 0.000 0.445 70 G N -0.732 107.991 108.800 -0.127 0.000 2.418 70 G HA2 -0.183 3.773 3.960 -0.007 0.000 0.217 70 G HA3 -0.183 3.773 3.960 -0.007 0.000 0.217 70 G C 1.562 176.362 174.900 -0.167 0.000 1.158 70 G CA 1.658 46.653 45.100 -0.176 0.000 0.771 70 G HN 0.425 nan 8.290 nan 0.000 0.545 71 T N 1.175 115.611 114.554 -0.197 0.000 2.788 71 T HA -0.126 4.220 4.350 -0.007 0.000 0.268 71 T C 2.368 176.942 174.700 -0.209 0.000 1.044 71 T CA 1.272 63.221 62.100 -0.252 0.000 1.139 71 T CB -0.143 68.517 68.868 -0.346 0.000 0.867 71 T HN 0.467 nan 8.240 nan 0.000 0.454 72 I N -0.005 120.485 120.570 -0.133 0.000 2.333 72 I HA 0.235 4.401 4.170 -0.007 0.000 0.246 72 I C 1.476 177.564 176.117 -0.049 0.000 1.106 72 I CA 1.291 62.545 61.300 -0.077 0.000 1.411 72 I CB 0.014 37.998 38.000 -0.027 0.000 1.082 72 I HN 0.090 nan 8.210 nan 0.000 0.420 73 A N 0.689 123.475 122.820 -0.056 0.000 2.709 73 A HA 0.792 5.108 4.320 -0.007 0.000 0.241 73 A C 0.452 178.002 177.584 -0.055 0.000 0.879 73 A CA 0.001 52.011 52.037 -0.045 0.000 1.120 73 A CB -0.724 18.259 19.000 -0.029 0.000 1.226 73 A HN 0.443 nan 8.150 nan 0.000 0.468 74 A N 0.481 123.262 122.820 -0.066 0.000 2.425 74 A HA 0.559 4.875 4.320 -0.007 0.000 0.249 74 A C 0.191 177.751 177.584 -0.040 0.000 1.084 74 A CA -0.171 51.833 52.037 -0.055 0.000 0.781 74 A CB -0.022 18.944 19.000 -0.056 0.000 1.019 74 A HN 0.462 nan 8.150 nan 0.000 0.490 75 L N 1.840 123.049 121.223 -0.022 0.000 2.525 75 L HA -0.000 4.336 4.340 -0.007 0.000 0.278 75 L C 1.089 177.938 176.870 -0.036 0.000 1.218 75 L CA 0.524 55.347 54.840 -0.028 0.000 0.878 75 L CB -0.559 41.498 42.059 -0.004 0.000 1.127 75 L HN 0.854 nan 8.230 nan 0.000 0.492 76 N N 2.922 121.583 118.700 -0.065 0.000 2.415 76 N HA 0.169 4.905 4.740 -0.007 0.000 0.250 76 N C -0.423 175.061 175.510 -0.043 0.000 1.127 76 N CA -0.285 52.720 53.050 -0.075 0.000 0.945 76 N CB 0.138 38.547 38.487 -0.130 0.000 1.196 76 N HN 0.797 nan 8.380 nan 0.000 0.499 77 N N 0.275 118.959 118.700 -0.026 0.000 3.588 77 N HA 0.086 4.822 4.740 -0.007 0.000 0.340 77 N C -0.801 174.703 175.510 -0.011 0.000 1.609 77 N CA -0.635 52.407 53.050 -0.013 0.000 0.811 77 N CB 0.186 38.672 38.487 -0.000 0.000 2.184 77 N HN 0.158 nan 8.380 nan 0.000 0.577 78 S N -1.074 114.623 115.700 -0.005 0.000 2.537 78 S HA 0.540 5.006 4.470 -0.007 0.000 0.246 78 S C 0.269 174.865 174.600 -0.007 0.000 1.036 78 S CA -0.643 57.553 58.200 -0.008 0.000 1.041 78 S CB -1.609 61.588 63.200 -0.005 0.000 0.799 78 S HN 0.619 nan 8.310 nan 0.000 0.456 79 I N -5.075 115.494 120.570 -0.002 0.000 3.006 79 I HA 0.832 4.998 4.170 -0.007 0.000 0.306 79 I C 0.782 176.887 176.117 -0.020 0.000 1.250 79 I CA -0.640 60.660 61.300 0.000 0.000 0.996 79 I CB 1.039 39.074 38.000 0.060 0.000 1.261 79 I HN 0.258 nan 8.210 nan 0.000 0.442 80 G N 2.974 111.688 108.800 -0.144 0.000 2.699 80 G HA2 -0.239 3.716 3.960 -0.007 0.000 0.347 80 G HA3 -0.239 3.716 3.960 -0.007 0.000 0.347 80 G C 0.340 175.064 174.900 -0.294 0.000 1.225 80 G CA 2.015 46.817 45.100 -0.497 0.000 0.973 80 G HN 1.790 nan 8.290 nan 0.000 0.551 81 V N -2.512 117.340 119.914 -0.103 0.000 3.285 81 V HA 0.924 5.040 4.120 -0.007 0.000 0.302 81 V C -0.160 175.918 176.094 -0.027 0.000 1.247 81 V CA -0.215 62.048 62.300 -0.062 0.000 1.035 81 V CB 1.608 33.407 31.823 -0.040 0.000 1.223 81 V HN 1.658 nan 8.190 nan 0.000 0.475 82 L N 0.746 121.952 121.223 -0.028 0.000 2.438 82 L HA 0.920 5.256 4.340 -0.007 0.000 0.270 82 L C 0.095 176.951 176.870 -0.022 0.000 0.972 82 L CA 0.327 55.154 54.840 -0.023 0.000 0.831 82 L CB 1.296 43.353 42.059 -0.003 0.000 1.273 82 L HN 1.120 nan 8.230 nan 0.000 0.405 83 G N 2.684 111.464 108.800 -0.032 0.000 2.528 83 G HA2 0.458 4.414 3.960 -0.007 0.000 0.289 83 G HA3 0.458 4.414 3.960 -0.007 0.000 0.289 83 G C 0.696 175.617 174.900 0.036 0.000 1.192 83 G CA -0.174 44.904 45.100 -0.037 0.000 0.921 83 G HN 0.596 nan 8.290 nan 0.000 0.512 84 V N 0.823 120.753 119.914 0.027 0.000 2.295 84 V HA -0.012 4.104 4.120 -0.007 0.000 0.246 84 V C 2.036 178.259 176.094 0.215 0.000 1.049 84 V CA 2.156 64.517 62.300 0.101 0.000 1.024 84 V CB -0.710 31.126 31.823 0.022 0.000 0.648 84 V HN 0.829 nan 8.190 nan 0.000 0.447 85 A N 0.632 123.511 122.820 0.098 0.000 3.047 85 A HA 0.506 4.822 4.320 -0.007 0.000 0.337 85 A C -1.035 176.554 177.584 0.008 0.000 1.143 85 A CA -1.085 51.000 52.037 0.079 0.000 0.905 85 A CB 0.151 19.184 19.000 0.054 0.000 1.088 85 A HN 0.352 nan 8.150 nan 0.000 0.488 86 P HA -0.136 nan 4.420 nan 0.000 0.220 86 P C 0.754 178.014 177.300 -0.066 0.000 1.144 86 P CA 1.386 64.432 63.100 -0.090 0.000 0.800 86 P CB 0.263 31.855 31.700 -0.180 0.000 0.772 87 S N -1.276 114.394 115.700 -0.049 0.000 2.575 87 S HA 0.410 4.875 4.470 -0.007 0.000 0.237 87 S C 0.877 175.470 174.600 -0.012 0.000 0.975 87 S CA -0.435 57.746 58.200 -0.031 0.000 0.960 87 S CB 0.116 63.297 63.200 -0.032 0.000 0.822 87 S HN 0.210 nan 8.310 nan 0.000 0.472 88 A N 2.028 124.847 122.820 -0.002 0.000 2.388 88 A HA 0.354 4.670 4.320 -0.007 0.000 0.257 88 A C 0.074 177.668 177.584 0.017 0.000 1.095 88 A CA -0.454 51.597 52.037 0.024 0.000 0.791 88 A CB 0.180 19.204 19.000 0.039 0.000 1.029 88 A HN 0.464 nan 8.150 nan 0.000 0.489 89 E N 1.606 121.836 120.200 0.050 0.000 2.070 89 E HA 0.271 4.617 4.350 -0.007 0.000 0.282 89 E C -1.137 175.438 176.600 -0.041 0.000 1.104 89 E CA -0.339 56.062 56.400 0.001 0.000 0.876 89 E CB 0.432 30.185 29.700 0.088 0.000 1.055 89 E HN 0.382 nan 8.360 nan 0.000 0.401 90 L N 3.941 125.050 121.223 -0.190 0.000 2.305 90 L HA 0.245 4.581 4.340 -0.007 0.000 0.281 90 L C -0.956 175.688 176.870 -0.377 0.000 1.085 90 L CA -0.142 54.611 54.840 -0.146 0.000 0.813 90 L CB 0.026 42.030 42.059 -0.093 0.000 1.157 90 L HN 0.439 nan 8.230 nan 0.000 0.436 91 Y N 2.117 122.484 120.300 0.111 0.000 2.376 91 Y HA 0.638 5.186 4.550 -0.004 0.000 0.340 91 Y C 0.300 176.222 175.900 0.036 0.000 0.965 91 Y CA -1.061 57.111 58.100 0.120 0.000 1.078 91 Y CB 1.703 40.345 38.460 0.302 0.000 1.193 91 Y HN 0.624 nan 8.280 nan 0.000 0.452 92 A N 3.460 126.322 122.820 0.070 0.000 2.391 92 A HA 0.576 4.892 4.320 -0.007 0.000 0.316 92 A C -0.880 176.640 177.584 -0.106 0.000 1.381 92 A CA -0.510 51.521 52.037 -0.011 0.000 0.998 92 A CB -0.508 18.465 19.000 -0.045 0.000 1.147 92 A HN 0.538 nan 8.150 nan 0.000 0.545 93 V N 3.558 123.435 119.914 -0.062 0.000 2.294 93 V HA 0.226 4.342 4.120 -0.007 0.000 0.272 93 V C 0.357 176.449 176.094 -0.003 0.000 1.027 93 V CA -0.638 61.604 62.300 -0.096 0.000 0.823 93 V CB 0.668 32.487 31.823 -0.006 0.000 1.030 93 V HN 0.862 nan 8.190 nan 0.000 0.457 94 K N 3.774 124.141 120.400 -0.055 0.000 2.292 94 K HA 0.328 4.644 4.320 -0.007 0.000 0.290 94 K C 0.679 177.315 176.600 0.061 0.000 1.083 94 K CA -0.096 56.176 56.287 -0.024 0.000 0.918 94 K CB 0.972 33.415 32.500 -0.094 0.000 1.089 94 K HN 0.628 nan 8.250 nan 0.000 0.473 95 V N 2.616 122.571 119.914 0.068 0.000 3.562 95 V HA 0.321 4.437 4.120 -0.007 0.000 0.270 95 V C -0.103 176.015 176.094 0.039 0.000 1.418 95 V CA -0.225 62.129 62.300 0.089 0.000 1.033 95 V CB -0.142 31.732 31.823 0.086 0.000 0.820 95 V HN 0.459 nan 8.190 nan 0.000 0.441 96 L N 1.670 122.897 121.223 0.007 0.000 2.346 96 L HA 0.901 5.237 4.340 -0.007 0.000 0.274 96 L C 0.755 177.609 176.870 -0.026 0.000 1.007 96 L CA -0.269 54.559 54.840 -0.020 0.000 0.818 96 L CB 1.550 43.577 42.059 -0.053 0.000 1.284 96 L HN 0.209 nan 8.230 nan 0.000 0.424 97 G N 0.370 109.153 108.800 -0.028 0.000 2.543 97 G HA2 0.438 4.393 3.960 -0.007 0.000 0.290 97 G HA3 0.438 4.393 3.960 -0.007 0.000 0.290 97 G C 0.909 175.788 174.900 -0.035 0.000 1.310 97 G CA 0.103 45.185 45.100 -0.029 0.000 1.025 97 G HN 0.794 nan 8.290 nan 0.000 0.502 98 A N -0.354 122.447 122.820 -0.032 0.000 1.940 98 A HA -0.103 4.213 4.320 -0.007 0.000 0.219 98 A C 2.611 180.179 177.584 -0.027 0.000 1.176 98 A CA 2.718 54.737 52.037 -0.031 0.000 0.631 98 A CB -0.875 18.108 19.000 -0.028 0.000 0.814 98 A HN 1.152 nan 8.150 nan 0.000 0.446 99 S N -1.518 114.166 115.700 -0.026 0.000 2.440 99 S HA 0.210 4.676 4.470 -0.007 0.000 0.238 99 S C 1.609 176.186 174.600 -0.038 0.000 1.010 99 S CA 1.252 59.437 58.200 -0.025 0.000 0.972 99 S CB -0.784 62.403 63.200 -0.022 0.000 0.774 99 S HN 2.010 nan 8.310 nan 0.000 0.501 100 G N 0.044 108.812 108.800 -0.054 0.000 2.132 100 G HA2 -0.200 3.756 3.960 -0.007 0.000 0.234 100 G HA3 -0.200 3.756 3.960 -0.007 0.000 0.234 100 G C 0.044 174.888 174.900 -0.094 0.000 0.989 100 G CA 0.188 45.230 45.100 -0.096 0.000 0.676 100 G HN 0.650 nan 8.290 nan 0.000 0.522 101 S N -1.248 114.416 115.700 -0.059 0.000 2.648 101 S HA 0.932 5.398 4.470 -0.007 0.000 0.305 101 S C 0.691 175.273 174.600 -0.030 0.000 1.094 101 S CA 0.208 58.382 58.200 -0.044 0.000 0.983 101 S CB 2.106 65.288 63.200 -0.031 0.000 1.101 101 S HN 1.416 nan 8.310 nan 0.000 0.514 102 G N 0.675 109.464 108.800 -0.019 0.000 3.003 102 G HA2 0.711 4.667 3.960 -0.007 0.000 0.243 102 G HA3 0.711 4.667 3.960 -0.007 0.000 0.243 102 G C -1.264 173.637 174.900 0.001 0.000 1.176 102 G CA -0.285 44.813 45.100 -0.004 0.000 0.812 102 G HN 1.080 nan 8.290 nan 0.000 0.584 103 S N -1.202 114.503 115.700 0.008 0.000 2.536 103 S HA 0.424 4.890 4.470 -0.007 0.000 0.271 103 S C 1.107 175.713 174.600 0.010 0.000 1.134 103 S CA 0.219 58.424 58.200 0.008 0.000 0.897 103 S CB 1.391 64.597 63.200 0.009 0.000 1.094 103 S HN 1.832 nan 8.310 nan 0.000 0.473 104 V N 0.798 120.717 119.914 0.009 0.000 2.439 104 V HA -0.166 3.950 4.120 -0.007 0.000 0.253 104 V C 2.009 178.104 176.094 0.002 0.000 1.074 104 V CA 2.319 64.626 62.300 0.012 0.000 1.076 104 V CB -1.923 29.908 31.823 0.013 0.000 0.664 104 V HN 0.839 nan 8.190 nan 0.000 0.461 105 S N 0.855 116.553 115.700 -0.003 0.000 2.368 105 S HA -0.158 4.307 4.470 -0.007 0.000 0.224 105 S C 2.143 176.724 174.600 -0.032 0.000 1.029 105 S CA 1.658 59.848 58.200 -0.016 0.000 0.988 105 S CB -0.545 62.651 63.200 -0.006 0.000 0.838 105 S HN 0.716 nan 8.310 nan 0.000 0.462 106 S N 1.925 117.626 115.700 0.001 0.000 2.359 106 S HA -0.049 4.417 4.470 -0.007 0.000 0.224 106 S C 1.856 176.447 174.600 -0.014 0.000 1.035 106 S CA 1.112 59.329 58.200 0.028 0.000 1.018 106 S CB -0.450 62.789 63.200 0.065 0.000 0.876 106 S HN 0.368 nan 8.310 nan 0.000 0.448 107 I N 2.029 122.597 120.570 -0.002 0.000 2.286 107 I HA -0.128 4.038 4.170 -0.007 0.000 0.248 107 I C 2.656 178.752 176.117 -0.035 0.000 1.115 107 I CA 1.233 62.534 61.300 0.002 0.000 1.392 107 I CB -1.926 36.090 38.000 0.027 0.000 1.065 107 I HN 0.227 nan 8.210 nan 0.000 0.418 108 A N 0.354 123.143 122.820 -0.052 0.000 1.898 108 A HA -0.194 4.122 4.320 -0.007 0.000 0.216 108 A C 2.286 179.779 177.584 -0.151 0.000 1.181 108 A CA 1.205 53.201 52.037 -0.068 0.000 0.620 108 A CB -0.593 18.377 19.000 -0.049 0.000 0.819 108 A HN 0.483 nan 8.150 nan 0.000 0.442 109 Q N -0.824 118.810 119.800 -0.278 0.000 2.230 109 Q HA -0.045 4.291 4.340 -0.007 0.000 0.202 109 Q C 2.115 177.678 176.000 -0.728 0.000 0.963 109 Q CA 0.834 56.320 55.803 -0.528 0.000 0.866 109 Q CB -0.280 27.993 28.738 -0.775 0.000 0.931 109 Q HN 0.695 nan 8.270 nan 0.000 0.452 110 G N 0.767 109.253 108.800 -0.523 0.000 2.402 110 G HA2 -0.217 3.739 3.960 -0.007 0.000 0.216 110 G HA3 -0.217 3.739 3.960 -0.007 0.000 0.216 110 G C 1.282 176.195 174.900 0.022 0.000 1.162 110 G CA 0.252 45.239 45.100 -0.189 0.000 0.777 110 G HN 0.189 nan 8.290 nan 0.000 0.539 111 L N 1.024 122.235 121.223 -0.019 0.000 2.201 111 L HA 0.050 4.385 4.340 -0.007 0.000 0.212 111 L C 2.637 179.516 176.870 0.014 0.000 1.105 111 L CA 1.255 56.111 54.840 0.026 0.000 0.775 111 L CB -0.578 41.487 42.059 0.010 0.000 0.913 111 L HN 0.262 nan 8.230 nan 0.000 0.440 112 E N -2.014 118.166 120.200 -0.034 0.000 2.072 112 E HA -0.276 4.070 4.350 -0.007 0.000 0.190 112 E C 1.990 178.601 176.600 0.018 0.000 0.982 112 E CA 1.113 57.493 56.400 -0.033 0.000 0.803 112 E CB -0.633 29.026 29.700 -0.067 0.000 0.755 112 E HN 0.586 nan 8.360 nan 0.000 0.453 113 W N 2.224 123.458 121.300 -0.110 0.000 2.317 113 W HA -0.264 4.390 4.660 -0.010 0.000 0.318 113 W C 2.600 179.102 176.519 -0.028 0.000 1.227 113 W CA 2.900 60.241 57.345 -0.007 0.000 1.269 113 W CB -0.400 29.144 29.460 0.139 0.000 1.155 113 W HN 0.097 nan 8.180 nan 0.000 0.484 114 A N 0.482 123.445 122.820 0.238 0.000 1.908 114 A HA -0.132 4.183 4.320 -0.007 0.000 0.218 114 A C 2.203 179.701 177.584 -0.143 0.000 1.181 114 A CA 2.240 54.306 52.037 0.049 0.000 0.627 114 A CB -1.753 17.334 19.000 0.146 0.000 0.818 114 A HN 0.473 nan 8.150 nan 0.000 0.445 115 G N -0.636 108.106 108.800 -0.096 0.000 2.422 115 G HA2 -0.209 3.747 3.960 -0.007 0.000 0.218 115 G HA3 -0.209 3.747 3.960 -0.007 0.000 0.218 115 G C 1.300 176.093 174.900 -0.179 0.000 1.140 115 G CA 0.923 45.951 45.100 -0.119 0.000 0.775 115 G HN 0.547 nan 8.290 nan 0.000 0.545 116 N N 0.685 119.244 118.700 -0.234 0.000 2.422 116 N HA 0.011 4.747 4.740 -0.007 0.000 0.181 116 N C 1.109 176.389 175.510 -0.383 0.000 1.080 116 N CA 0.192 53.087 53.050 -0.258 0.000 0.893 116 N CB 0.104 38.459 38.487 -0.220 0.000 0.973 116 N HN 0.282 nan 8.380 nan 0.000 0.456 117 N N 0.047 118.417 118.700 -0.550 0.000 2.205 117 N HA 0.063 4.799 4.740 -0.007 0.000 0.201 117 N C 0.565 175.766 175.510 -0.514 0.000 1.128 117 N CA 0.245 52.870 53.050 -0.708 0.000 0.867 117 N CB 1.163 38.779 38.487 -1.452 0.000 0.996 117 N HN 0.131 nan 8.380 nan 0.000 0.503 118 G N 1.758 110.330 108.800 -0.381 0.000 2.246 118 G HA2 -0.247 3.709 3.960 -0.007 0.000 0.273 118 G HA3 -0.247 3.709 3.960 -0.007 0.000 0.273 118 G C 0.136 174.785 174.900 -0.418 0.000 1.055 118 G CA -0.066 44.831 45.100 -0.338 0.000 0.851 118 G HN 0.080 nan 8.290 nan 0.000 0.500 119 M N -0.367 119.027 119.600 -0.343 0.000 2.228 119 M HA 0.308 4.784 4.480 -0.007 0.000 0.351 119 M C 1.408 177.550 176.300 -0.264 0.000 1.233 119 M CA 0.231 55.389 55.300 -0.238 0.000 1.129 119 M CB 0.276 32.835 32.600 -0.068 0.000 1.604 119 M HN 0.339 nan 8.290 nan 0.000 0.457 120 H N 0.572 119.669 119.070 0.044 0.000 2.465 120 H HA 0.251 4.803 4.556 -0.007 0.000 0.289 120 H C -0.013 175.357 175.328 0.070 0.000 1.022 120 H CA 0.398 56.478 56.048 0.054 0.000 1.340 120 H CB 0.548 30.347 29.762 0.062 0.000 1.437 120 H HN 0.364 nan 8.280 nan 0.000 0.539 121 V N 0.170 120.200 119.914 0.193 0.000 2.876 121 V HA 0.713 4.829 4.120 -0.007 0.000 0.312 121 V C -0.747 175.430 176.094 0.137 0.000 1.085 121 V CA -1.061 61.330 62.300 0.152 0.000 0.945 121 V CB 2.002 33.916 31.823 0.151 0.000 1.017 121 V HN 0.266 nan 8.190 nan 0.000 0.428 122 A N 2.802 125.695 122.820 0.121 0.000 2.340 122 A HA 0.680 4.995 4.320 -0.007 0.000 0.297 122 A C -0.586 177.066 177.584 0.114 0.000 1.195 122 A CA -0.519 51.591 52.037 0.122 0.000 0.769 122 A CB 0.439 19.506 19.000 0.111 0.000 1.163 122 A HN 0.870 nan 8.150 nan 0.000 0.472 123 N N 2.073 120.843 118.700 0.117 0.000 2.426 123 N HA 0.517 5.253 4.740 -0.007 0.000 0.257 123 N C -1.154 174.421 175.510 0.108 0.000 1.002 123 N CA -0.357 52.757 53.050 0.107 0.000 0.942 123 N CB 0.530 39.077 38.487 0.099 0.000 1.112 123 N HN 0.377 nan 8.380 nan 0.000 0.499 124 L N 3.063 124.348 121.223 0.104 0.000 2.504 124 L HA 0.318 4.653 4.340 -0.007 0.000 0.249 124 L C 0.113 177.046 176.870 0.105 0.000 1.120 124 L CA -0.150 54.750 54.840 0.100 0.000 0.997 124 L CB 0.623 42.738 42.059 0.093 0.000 1.349 124 L HN 0.496 nan 8.230 nan 0.000 0.439 125 S N 3.386 119.164 115.700 0.129 0.000 4.069 125 S HA 0.504 4.970 4.470 -0.007 0.000 0.192 125 S C 0.014 174.699 174.600 0.143 0.000 1.441 125 S CA -0.323 57.975 58.200 0.163 0.000 0.994 125 S CB -0.738 62.596 63.200 0.224 0.000 1.456 125 S HN 0.418 nan 8.310 nan 0.000 0.458 126 L N -2.045 119.230 121.223 0.086 0.000 2.630 126 L HA 1.103 5.438 4.340 -0.007 0.000 0.258 126 L C -0.280 176.617 176.870 0.046 0.000 1.072 126 L CA -0.849 54.016 54.840 0.041 0.000 0.885 126 L CB 0.978 43.047 42.059 0.018 0.000 1.502 126 L HN 0.151 nan 8.230 nan 0.000 0.406 127 G N -1.042 107.778 108.800 0.032 0.000 2.466 127 G HA2 0.589 4.544 3.960 -0.007 0.000 0.291 127 G HA3 0.589 4.544 3.960 -0.007 0.000 0.291 127 G C -2.035 172.887 174.900 0.037 0.000 1.460 127 G CA -0.075 45.049 45.100 0.040 0.000 0.791 127 G HN 0.844 nan 8.290 nan 0.000 0.505 128 S N -0.631 115.104 115.700 0.058 0.000 2.536 128 S HA 0.711 5.177 4.470 -0.007 0.000 0.271 128 S C -2.170 172.493 174.600 0.105 0.000 1.134 128 S CA -0.967 57.268 58.200 0.059 0.000 0.897 128 S CB 2.240 65.467 63.200 0.044 0.000 1.094 128 S HN 0.232 nan 8.310 nan 0.000 0.473 129 P HA 0.060 nan 4.420 nan 0.000 0.222 129 P C -0.187 177.204 177.300 0.151 0.000 1.147 129 P CA 0.628 63.790 63.100 0.103 0.000 0.790 129 P CB 0.108 31.835 31.700 0.045 0.000 0.780 130 S N 1.238 116.963 115.700 0.041 0.000 2.525 130 S HA 0.354 4.819 4.470 -0.007 0.000 0.278 130 S C -2.253 172.115 174.600 -0.386 0.000 1.234 130 S CA -1.165 56.964 58.200 -0.118 0.000 1.058 130 S CB 0.341 63.495 63.200 -0.078 0.000 0.983 130 S HN 0.070 nan 8.310 nan 0.000 0.495 131 P HA 0.278 nan 4.420 nan 0.000 0.277 131 P C -0.834 176.264 177.300 -0.336 0.000 1.240 131 P CA -0.427 62.041 63.100 -1.053 0.000 0.798 131 P CB 1.046 32.205 31.700 -0.902 0.000 0.979 132 S N 0.228 115.870 115.700 -0.097 0.000 2.548 132 S HA 0.541 5.006 4.470 -0.007 0.000 0.276 132 S C 0.882 175.515 174.600 0.054 0.000 1.129 132 S CA -0.214 57.984 58.200 -0.003 0.000 0.931 132 S CB 1.192 64.399 63.200 0.012 0.000 1.068 132 S HN 0.421 nan 8.310 nan 0.000 0.480 133 A N 3.519 126.343 122.820 0.006 0.000 1.898 133 A HA 0.051 4.367 4.320 -0.007 0.000 0.216 133 A C 1.987 179.557 177.584 -0.023 0.000 1.181 133 A CA 2.240 54.269 52.037 -0.014 0.000 0.620 133 A CB -1.476 17.510 19.000 -0.023 0.000 0.819 133 A HN 0.840 nan 8.150 nan 0.000 0.442 134 T N 0.062 114.609 114.554 -0.010 0.000 2.833 134 T HA -0.112 4.234 4.350 -0.007 0.000 0.269 134 T C 1.755 176.453 174.700 -0.003 0.000 1.054 134 T CA 1.476 63.568 62.100 -0.013 0.000 1.135 134 T CB -0.271 68.591 68.868 -0.010 0.000 0.869 134 T HN 0.254 nan 8.240 nan 0.000 0.466 135 L N 1.713 122.958 121.223 0.036 0.000 2.007 135 L HA -0.031 4.305 4.340 -0.007 0.000 0.205 135 L C 2.622 179.517 176.870 0.041 0.000 1.073 135 L CA 1.832 56.724 54.840 0.087 0.000 0.744 135 L CB -0.648 41.523 42.059 0.187 0.000 0.898 135 L HN 0.407 nan 8.230 nan 0.000 0.435 136 E N -1.895 118.252 120.200 -0.089 0.000 2.265 136 E HA -0.244 4.102 4.350 -0.007 0.000 0.196 136 E C 1.789 178.239 176.600 -0.250 0.000 0.996 136 E CA 0.793 56.908 56.400 -0.474 0.000 0.832 136 E CB -0.331 28.672 29.700 -1.162 0.000 0.756 136 E HN 0.522 nan 8.360 nan 0.000 0.491 137 Q N 0.901 120.615 119.800 -0.143 0.000 2.046 137 Q HA -0.041 4.295 4.340 -0.007 0.000 0.200 137 Q C 2.341 178.300 176.000 -0.070 0.000 0.975 137 Q CA 1.783 57.528 55.803 -0.098 0.000 0.836 137 Q CB -0.445 28.253 28.738 -0.068 0.000 0.896 137 Q HN 0.466 nan 8.270 nan 0.000 0.428 138 A N 0.307 123.097 122.820 -0.050 0.000 1.969 138 A HA -0.074 4.241 4.320 -0.007 0.000 0.218 138 A C 2.448 180.020 177.584 -0.020 0.000 1.169 138 A CA 1.091 53.108 52.037 -0.032 0.000 0.635 138 A CB -0.540 18.445 19.000 -0.025 0.000 0.810 138 A HN 0.188 nan 8.150 nan 0.000 0.445 139 V N 1.010 120.913 119.914 -0.018 0.000 2.343 139 V HA -0.269 3.846 4.120 -0.007 0.000 0.247 139 V C 2.317 178.401 176.094 -0.017 0.000 1.051 139 V CA 2.261 64.567 62.300 0.009 0.000 1.036 139 V CB -0.876 30.968 31.823 0.034 0.000 0.654 139 V HN 0.572 nan 8.190 nan 0.000 0.451 140 N N 0.229 118.896 118.700 -0.055 0.000 2.106 140 N HA -0.115 4.620 4.740 -0.007 0.000 0.188 140 N C 2.079 177.568 175.510 -0.036 0.000 1.029 140 N CA 1.800 54.818 53.050 -0.053 0.000 0.848 140 N CB -0.563 37.876 38.487 -0.080 0.000 1.007 140 N HN 0.430 nan 8.380 nan 0.000 0.423 141 S N 1.136 116.814 115.700 -0.037 0.000 2.356 141 S HA -0.075 4.391 4.470 -0.007 0.000 0.223 141 S C 2.167 176.751 174.600 -0.027 0.000 1.032 141 S CA 1.150 59.330 58.200 -0.034 0.000 1.005 141 S CB -0.579 62.599 63.200 -0.037 0.000 0.867 141 S HN 0.497 nan 8.310 nan 0.000 0.449 142 A N 1.637 124.445 122.820 -0.020 0.000 1.927 142 A HA -0.189 4.126 4.320 -0.007 0.000 0.220 142 A C 2.343 179.922 177.584 -0.008 0.000 1.185 142 A CA 2.296 54.326 52.037 -0.013 0.000 0.639 142 A CB -1.491 17.511 19.000 0.003 0.000 0.820 142 A HN 0.513 nan 8.150 nan 0.000 0.451 143 T N 0.498 115.051 114.554 -0.002 0.000 2.777 143 T HA -0.116 4.230 4.350 -0.007 0.000 0.266 143 T C 2.280 176.979 174.700 -0.002 0.000 1.040 143 T CA 1.710 63.813 62.100 0.006 0.000 1.141 143 T CB -0.451 68.424 68.868 0.010 0.000 0.868 143 T HN 0.750 nan 8.240 nan 0.000 0.444 144 S N 2.073 117.766 115.700 -0.013 0.000 2.382 144 S HA -0.077 4.389 4.470 -0.007 0.000 0.228 144 S C 1.849 176.439 174.600 -0.017 0.000 1.027 144 S CA 0.587 58.778 58.200 -0.015 0.000 0.991 144 S CB -0.336 62.852 63.200 -0.021 0.000 0.823 144 S HN 0.253 nan 8.310 nan 0.000 0.469 145 R N 1.551 122.036 120.500 -0.026 0.000 2.346 145 R HA 0.150 4.486 4.340 -0.007 0.000 0.199 145 R C 1.555 177.833 176.300 -0.036 0.000 1.015 145 R CA 0.598 56.675 56.100 -0.039 0.000 1.058 145 R CB -1.376 28.890 30.300 -0.058 0.000 0.921 145 R HN 0.710 nan 8.270 nan 0.000 0.475 146 G N 0.328 109.120 108.800 -0.013 0.000 2.141 146 G HA2 -0.261 3.694 3.960 -0.007 0.000 0.242 146 G HA3 -0.261 3.694 3.960 -0.007 0.000 0.242 146 G C 0.065 174.973 174.900 0.013 0.000 0.982 146 G CA 0.304 45.407 45.100 0.006 0.000 0.662 146 G HN 0.338 nan 8.290 nan 0.000 0.527 147 V N 0.596 120.514 119.914 0.007 0.000 2.539 147 V HA 0.789 4.905 4.120 -0.007 0.000 0.292 147 V C 0.522 176.649 176.094 0.055 0.000 1.045 147 V CA -1.122 61.194 62.300 0.025 0.000 0.945 147 V CB 1.745 33.572 31.823 0.006 0.000 0.993 147 V HN 0.482 nan 8.190 nan 0.000 0.464 148 L N 7.042 128.314 121.223 0.081 0.000 2.255 148 L HA 0.503 4.839 4.340 -0.007 0.000 0.289 148 L C -0.630 176.293 176.870 0.088 0.000 1.046 148 L CA -0.397 54.496 54.840 0.088 0.000 0.816 148 L CB 1.533 43.657 42.059 0.107 0.000 1.197 148 L HN 0.642 nan 8.230 nan 0.000 0.427 149 V N 6.099 126.062 119.914 0.081 0.000 2.461 149 V HA 0.249 4.365 4.120 -0.007 0.000 0.275 149 V C 0.139 176.287 176.094 0.090 0.000 1.047 149 V CA -0.401 61.951 62.300 0.087 0.000 0.955 149 V CB 1.622 33.496 31.823 0.084 0.000 0.988 149 V HN 0.490 nan 8.190 nan 0.000 0.471 150 V N 4.558 124.528 119.914 0.093 0.000 2.409 150 V HA 0.871 4.987 4.120 -0.007 0.000 0.291 150 V C 0.188 176.337 176.094 0.091 0.000 1.020 150 V CA -0.384 61.971 62.300 0.091 0.000 0.848 150 V CB 1.409 33.288 31.823 0.094 0.000 0.990 150 V HN 0.997 nan 8.190 nan 0.000 0.430 151 A N 3.671 126.542 122.820 0.084 0.000 2.475 151 A HA 0.955 5.271 4.320 -0.007 0.000 0.301 151 A C -0.175 177.452 177.584 0.072 0.000 1.059 151 A CA -0.397 51.688 52.037 0.079 0.000 0.710 151 A CB 1.722 20.768 19.000 0.075 0.000 1.288 151 A HN 1.339 nan 8.150 nan 0.000 0.408 152 A N 0.900 123.767 122.820 0.078 0.000 2.363 152 A HA 0.514 4.829 4.320 -0.007 0.000 0.270 152 A C 1.409 179.025 177.584 0.053 0.000 1.121 152 A CA 0.282 52.368 52.037 0.082 0.000 0.800 152 A CB -0.006 19.055 19.000 0.101 0.000 1.052 152 A HN 1.999 nan 8.150 nan 0.000 0.493 153 S N 2.327 118.059 115.700 0.053 0.000 2.400 153 S HA 0.310 4.776 4.470 -0.007 0.000 0.232 153 S C 1.102 175.715 174.600 0.021 0.000 1.025 153 S CA 0.888 59.101 58.200 0.021 0.000 0.993 153 S CB -0.781 62.438 63.200 0.032 0.000 0.808 153 S HN 2.689 nan 8.310 nan 0.000 0.478 154 G N 0.604 109.444 108.800 0.067 0.000 2.539 154 G HA2 -0.057 3.899 3.960 -0.007 0.000 0.686 154 G HA3 -0.057 3.899 3.960 -0.007 0.000 0.686 154 G C -0.632 174.345 174.900 0.127 0.000 1.258 154 G CA -0.461 44.679 45.100 0.067 0.000 0.846 154 G HN 0.323 nan 8.290 nan 0.000 0.647 155 N N -0.234 118.533 118.700 0.111 0.000 2.275 155 N HA 0.247 4.983 4.740 -0.007 0.000 0.236 155 N C 1.789 177.388 175.510 0.148 0.000 1.154 155 N CA 0.279 53.432 53.050 0.171 0.000 0.866 155 N CB 0.768 39.254 38.487 -0.002 0.000 1.093 155 N HN 0.652 nan 8.380 nan 0.000 0.515 156 S N -0.605 115.150 115.700 0.092 0.000 2.501 156 S HA 0.183 4.648 4.470 -0.007 0.000 0.220 156 S C 1.761 176.406 174.600 0.075 0.000 0.997 156 S CA 0.513 58.752 58.200 0.064 0.000 0.919 156 S CB 0.071 63.285 63.200 0.023 0.000 0.778 156 S HN 0.375 nan 8.310 nan 0.000 0.523 157 G N 1.046 109.899 108.800 0.088 0.000 2.176 157 G HA2 -0.140 3.815 3.960 -0.007 0.000 0.253 157 G HA3 -0.140 3.815 3.960 -0.007 0.000 0.253 157 G C 0.318 175.219 174.900 0.002 0.000 0.979 157 G CA 0.013 45.166 45.100 0.087 0.000 0.641 157 G HN 1.314 nan 8.290 nan 0.000 0.530 158 A N 0.366 123.133 122.820 -0.088 0.000 2.483 158 A HA 0.585 4.900 4.320 -0.007 0.000 0.238 158 A C 1.546 178.800 177.584 -0.551 0.000 1.070 158 A CA 1.171 53.085 52.037 -0.204 0.000 0.770 158 A CB 0.451 19.366 19.000 -0.141 0.000 1.008 158 A HN 1.668 nan 8.150 nan 0.000 0.497 159 G N 1.221 109.623 108.800 -0.665 0.000 3.340 159 G HA2 0.404 4.360 3.960 -0.007 0.000 0.240 159 G HA3 0.404 4.360 3.960 -0.007 0.000 0.240 159 G C 0.278 174.810 174.900 -0.613 0.000 1.327 159 G CA 0.644 45.030 45.100 -1.190 0.000 1.170 159 G HN 0.693 nan 8.290 nan 0.000 0.520 166 S N 1.554 117.125 115.700 -0.215 0.000 2.608 166 S HA 0.454 4.919 4.470 -0.007 0.000 0.261 166 S C -1.183 173.203 174.600 -0.356 0.000 1.314 166 S CA -0.046 58.047 58.200 -0.178 0.000 0.992 166 S CB 0.402 63.574 63.200 -0.047 0.000 0.935 166 S HN 0.293 nan 8.310 nan 0.000 0.564 167 Y N 1.436 121.635 120.300 -0.169 0.000 2.387 167 Y HA 0.326 4.872 4.550 -0.007 0.000 0.336 167 Y C -1.323 174.507 175.900 -0.118 0.000 1.067 167 Y CA -2.009 55.921 58.100 -0.283 0.000 1.114 167 Y CB 1.005 39.252 38.460 -0.354 0.000 1.208 167 Y HN 0.498 nan 8.280 nan 0.000 0.458 168 P HA -0.087 nan 4.420 nan 0.000 0.233 168 P C 1.022 178.321 177.300 -0.002 0.000 1.167 168 P CA 1.108 64.278 63.100 0.116 0.000 0.770 168 P CB 0.102 31.947 31.700 0.241 0.000 0.837 169 A N 0.945 123.722 122.820 -0.071 0.000 1.986 169 A HA -0.237 4.079 4.320 -0.007 0.000 0.220 169 A C 2.447 179.930 177.584 -0.169 0.000 1.171 169 A CA 1.866 53.853 52.037 -0.083 0.000 0.640 169 A CB -1.083 17.874 19.000 -0.072 0.000 0.811 169 A HN 0.032 nan 8.150 nan 0.000 0.451 170 R N -0.974 119.272 120.500 -0.424 0.000 2.120 170 R HA -0.080 4.256 4.340 -0.007 0.000 0.234 170 R C -0.292 175.914 176.300 -0.157 0.000 1.123 170 R CA 0.459 56.265 56.100 -0.490 0.000 0.975 170 R CB -0.900 28.742 30.300 -1.096 0.000 0.866 170 R HN 0.457 nan 8.270 nan 0.000 0.446 171 Y N 0.251 120.528 120.300 -0.039 0.000 2.717 171 Y HA 0.031 4.576 4.550 -0.007 0.000 0.330 171 Y C 1.553 177.465 175.900 0.020 0.000 1.217 171 Y CA -0.325 57.799 58.100 0.039 0.000 1.506 171 Y CB 0.036 38.547 38.460 0.086 0.000 1.268 171 Y HN 0.145 nan 8.280 nan 0.000 0.561 172 A N 3.265 126.206 122.820 0.202 0.000 2.024 172 A HA -0.247 4.069 4.320 -0.007 0.000 0.220 172 A C 1.774 179.410 177.584 0.087 0.000 1.164 172 A CA 1.692 53.792 52.037 0.105 0.000 0.643 172 A CB -0.512 18.532 19.000 0.075 0.000 0.806 172 A HN 0.842 nan 8.150 nan 0.000 0.451 173 N N 0.242 119.002 118.700 0.100 0.000 2.515 173 N HA 0.212 4.948 4.740 -0.007 0.000 0.185 173 N C 0.347 175.911 175.510 0.091 0.000 1.109 173 N CA 0.953 54.044 53.050 0.069 0.000 0.903 173 N CB -0.337 38.166 38.487 0.027 0.000 0.969 173 N HN 0.466 nan 8.380 nan 0.000 0.450 174 A N 0.280 123.170 122.820 0.117 0.000 2.386 174 A HA 0.601 4.917 4.320 -0.007 0.000 0.311 174 A C -0.573 177.058 177.584 0.078 0.000 1.068 174 A CA -0.757 51.343 52.037 0.105 0.000 0.743 174 A CB 1.412 20.491 19.000 0.131 0.000 1.258 174 A HN 0.187 nan 8.150 nan 0.000 0.429 175 M N 2.635 122.280 119.600 0.074 0.000 2.146 175 M HA 0.511 4.987 4.480 -0.007 0.000 0.352 175 M C 0.121 176.457 176.300 0.060 0.000 1.343 175 M CA -0.026 55.313 55.300 0.065 0.000 1.115 175 M CB 0.475 33.119 32.600 0.072 0.000 1.657 175 M HN 0.826 nan 8.290 nan 0.000 0.471 176 A N 5.479 128.327 122.820 0.047 0.000 2.290 176 A HA 0.660 4.976 4.320 -0.007 0.000 0.310 176 A C -0.992 176.622 177.584 0.050 0.000 1.202 176 A CA -0.629 51.428 52.037 0.035 0.000 0.837 176 A CB 0.696 19.698 19.000 0.004 0.000 1.139 176 A HN 0.667 nan 8.150 nan 0.000 0.509 177 V N 2.616 122.566 119.914 0.061 0.000 2.444 177 V HA 0.664 4.780 4.120 -0.007 0.000 0.294 177 V C 0.813 176.958 176.094 0.085 0.000 1.022 177 V CA -0.124 62.222 62.300 0.077 0.000 0.850 177 V CB 1.521 33.397 31.823 0.089 0.000 0.992 177 V HN 1.148 nan 8.190 nan 0.000 0.426 178 G N 2.665 111.516 108.800 0.085 0.000 2.521 178 G HA2 0.764 4.720 3.960 -0.007 0.000 0.323 178 G HA3 0.764 4.720 3.960 -0.007 0.000 0.323 178 G C -0.595 174.364 174.900 0.098 0.000 1.211 178 G CA -0.324 44.831 45.100 0.091 0.000 0.979 178 G HN 1.083 nan 8.290 nan 0.000 0.490 179 A N 0.031 122.905 122.820 0.091 0.000 2.330 179 A HA 0.828 5.144 4.320 -0.007 0.000 0.327 179 A C 0.389 177.989 177.584 0.025 0.000 1.155 179 A CA -0.271 51.817 52.037 0.084 0.000 0.803 179 A CB 1.146 20.265 19.000 0.197 0.000 1.208 179 A HN 1.222 nan 8.150 nan 0.000 0.477 180 T N -0.522 114.078 114.554 0.077 0.000 2.950 180 T HA 0.666 5.012 4.350 -0.007 0.000 0.288 180 T C -0.238 174.563 174.700 0.167 0.000 1.035 180 T CA -0.443 61.719 62.100 0.103 0.000 1.028 180 T CB 1.321 70.272 68.868 0.138 0.000 1.109 180 T HN 0.711 nan 8.240 nan 0.000 0.514 181 D N 0.215 120.688 120.400 0.122 0.000 2.539 181 D HA 0.207 4.843 4.640 -0.007 0.000 0.276 181 D C 1.014 177.330 176.300 0.027 0.000 1.206 181 D CA -0.714 53.353 54.000 0.111 0.000 1.081 181 D CB 0.275 41.070 40.800 -0.009 0.000 1.142 181 D HN 0.502 nan 8.370 nan 0.000 0.595 182 Q N -0.982 118.622 119.800 -0.327 0.000 2.364 182 Q HA 0.054 4.390 4.340 -0.007 0.000 0.207 182 Q C 0.958 176.734 176.000 -0.373 0.000 0.970 182 Q CA 0.952 56.276 55.803 -0.798 0.000 0.888 182 Q CB -0.182 27.994 28.738 -0.936 0.000 0.951 182 Q HN 0.381 nan 8.270 nan 0.000 0.469 183 N N 0.150 118.741 118.700 -0.182 0.000 2.356 183 N HA 0.060 4.796 4.740 -0.007 0.000 0.178 183 N C -0.357 175.122 175.510 -0.052 0.000 1.075 183 N CA 0.486 53.473 53.050 -0.106 0.000 0.889 183 N CB 0.418 38.854 38.487 -0.085 0.000 0.999 183 N HN 0.324 nan 8.380 nan 0.000 0.464 184 N N -0.600 118.092 118.700 -0.013 0.000 3.148 184 N HA -0.115 4.620 4.740 -0.007 0.000 0.235 184 N C -1.134 174.383 175.510 0.013 0.000 1.040 184 N CA 0.027 53.081 53.050 0.007 0.000 0.920 184 N CB -1.329 37.130 38.487 -0.046 0.000 1.100 184 N HN 0.245 nan 8.380 nan 0.000 0.537 185 N N 0.957 119.682 118.700 0.042 0.000 2.492 185 N HA 0.257 4.993 4.740 -0.007 0.000 0.289 185 N C -0.127 175.456 175.510 0.123 0.000 1.133 185 N CA -0.688 52.421 53.050 0.098 0.000 0.961 185 N CB 0.894 39.397 38.487 0.027 0.000 1.186 185 N HN 0.125 nan 8.380 nan 0.000 0.493 186 R N 1.299 121.882 120.500 0.138 0.000 2.590 186 R HA 0.244 4.580 4.340 -0.007 0.000 0.274 186 R C -0.735 175.486 176.300 -0.132 0.000 1.061 186 R CA -0.354 55.730 56.100 -0.026 0.000 1.081 186 R CB 0.354 30.506 30.300 -0.245 0.000 0.984 186 R HN 0.611 nan 8.270 nan 0.000 0.448 187 A N 2.788 125.450 122.820 -0.263 0.000 2.363 187 A HA 0.164 4.479 4.320 -0.007 0.000 0.270 187 A C 1.391 178.642 177.584 -0.555 0.000 1.121 187 A CA 0.082 51.818 52.037 -0.500 0.000 0.800 187 A CB 0.632 19.119 19.000 -0.856 0.000 1.052 187 A HN 0.997 nan 8.150 nan 0.000 0.493 188 S N 2.001 117.487 115.700 -0.357 0.000 2.380 188 S HA -0.307 4.159 4.470 -0.007 0.000 0.229 188 S C 1.395 175.954 174.600 -0.069 0.000 1.043 188 S CA 2.155 60.271 58.200 -0.141 0.000 1.038 188 S CB -1.010 62.179 63.200 -0.018 0.000 0.872 188 S HN 1.191 nan 8.310 nan 0.000 0.456 189 F N 1.990 121.971 119.950 0.052 0.000 2.558 189 F HA 0.401 4.923 4.527 -0.008 0.000 0.298 189 F C 1.158 176.991 175.800 0.054 0.000 1.119 189 F CA -0.226 57.803 58.000 0.048 0.000 1.451 189 F CB -1.161 37.865 39.000 0.043 0.000 1.091 189 F HN 0.103 nan 8.300 nan 0.000 0.563 190 S N 1.647 117.290 115.700 -0.095 0.000 2.555 190 S HA 0.006 4.472 4.470 -0.007 0.000 0.293 190 S C 0.088 174.755 174.600 0.112 0.000 1.248 190 S CA -0.315 57.900 58.200 0.026 0.000 1.096 190 S CB -0.241 62.882 63.200 -0.129 0.000 0.881 190 S HN 0.495 nan 8.310 nan 0.000 0.498 191 Q N 3.201 123.060 119.800 0.098 0.000 2.304 191 Q HA 0.383 4.719 4.340 -0.007 0.000 0.260 191 Q C -0.483 175.525 176.000 0.013 0.000 0.965 191 Q CA -0.211 55.589 55.803 -0.005 0.000 0.898 191 Q CB 0.755 29.461 28.738 -0.054 0.000 1.196 191 Q HN 0.796 nan 8.270 nan 0.000 0.402 192 Y N 0.227 120.486 120.300 -0.068 0.000 2.753 192 Y HA 0.904 5.449 4.550 -0.007 0.000 0.324 192 Y C 0.434 176.289 175.900 -0.075 0.000 1.147 192 Y CA -0.390 57.658 58.100 -0.087 0.000 1.173 192 Y CB 0.707 39.085 38.460 -0.136 0.000 1.361 192 Y HN 0.746 nan 8.280 nan 0.000 0.545 193 G N -0.240 108.618 108.800 0.096 0.000 2.342 193 G HA2 0.352 4.307 3.960 -0.007 0.000 0.220 193 G HA3 0.352 4.307 3.960 -0.007 0.000 0.220 193 G C -0.980 173.922 174.900 0.003 0.000 1.243 193 G CA -0.445 44.664 45.100 0.016 0.000 1.083 193 G HN 1.509 nan 8.290 nan 0.000 0.500 194 A N -0.022 122.780 122.820 -0.030 0.000 2.515 194 A HA 0.617 4.933 4.320 -0.007 0.000 0.263 194 A C 1.794 179.345 177.584 -0.055 0.000 1.096 194 A CA 2.279 54.297 52.037 -0.032 0.000 0.769 194 A CB -0.702 18.279 19.000 -0.032 0.000 1.040 194 A HN 2.897 nan 8.150 nan 0.000 0.505 195 G N 1.204 109.987 108.800 -0.029 0.000 2.184 195 G HA2 -0.107 3.849 3.960 -0.007 0.000 0.206 195 G HA3 -0.107 3.849 3.960 -0.007 0.000 0.206 195 G C 0.046 174.937 174.900 -0.015 0.000 0.995 195 G CA 0.050 45.131 45.100 -0.032 0.000 0.651 195 G HN 1.432 nan 8.290 nan 0.000 0.511 196 L N 2.140 123.361 121.223 -0.003 0.000 2.369 196 L HA 0.489 4.825 4.340 -0.007 0.000 0.279 196 L C 0.899 177.791 176.870 0.036 0.000 1.108 196 L CA 0.399 55.251 54.840 0.020 0.000 0.852 196 L CB 0.446 42.526 42.059 0.036 0.000 1.169 196 L HN 0.197 nan 8.230 nan 0.000 0.452 197 D N 5.070 125.494 120.400 0.041 0.000 2.262 197 D HA 0.185 4.821 4.640 -0.007 0.000 0.212 197 D C 0.435 176.769 176.300 0.056 0.000 0.964 197 D CA 0.875 54.903 54.000 0.046 0.000 0.875 197 D CB 1.095 41.923 40.800 0.046 0.000 0.996 197 D HN 0.489 nan 8.370 nan 0.000 0.497 198 I N -0.331 120.279 120.570 0.065 0.000 3.016 198 I HA 0.116 4.282 4.170 -0.007 0.000 0.307 198 I C -2.053 174.115 176.117 0.085 0.000 1.516 198 I CA -0.830 60.514 61.300 0.074 0.000 0.938 198 I CB 2.163 40.199 38.000 0.059 0.000 1.335 198 I HN -0.199 nan 8.210 nan 0.000 0.553 199 V N 1.145 121.113 119.914 0.090 0.000 3.078 199 V HA 1.073 5.189 4.120 -0.007 0.000 0.311 199 V C -0.861 175.262 176.094 0.049 0.000 1.138 199 V CA -0.019 62.337 62.300 0.092 0.000 1.007 199 V CB 1.327 33.242 31.823 0.153 0.000 1.045 199 V HN 1.196 nan 8.190 nan 0.000 0.432 200 A N 2.812 125.644 122.820 0.019 0.000 2.594 200 A HA 1.006 5.322 4.320 -0.007 0.000 0.291 200 A C -3.281 174.197 177.584 -0.176 0.000 1.105 200 A CA -1.888 50.094 52.037 -0.092 0.000 0.694 200 A CB 1.831 20.800 19.000 -0.051 0.000 1.291 200 A HN 0.723 nan 8.150 nan 0.000 0.410 201 P HA 0.244 nan 4.420 nan 0.000 0.262 201 P C 0.616 177.751 177.300 -0.275 0.000 1.199 201 P CA 0.812 63.636 63.100 -0.459 0.000 0.763 201 P CB 0.657 31.719 31.700 -1.064 0.000 0.790 202 G N 2.199 111.036 108.800 0.061 0.000 3.839 202 G HA2 0.291 4.247 3.960 -0.007 0.000 0.286 202 G HA3 0.291 4.247 3.960 -0.007 0.000 0.286 202 G C -0.554 174.565 174.900 0.366 0.000 1.005 202 G CA 0.025 45.260 45.100 0.225 0.000 0.824 202 G HN 0.389 nan 8.290 nan 0.000 0.489 203 V N 1.329 121.504 119.914 0.435 0.000 2.487 203 V HA 0.383 4.499 4.120 -0.007 0.000 0.298 203 V C -0.228 176.170 176.094 0.508 0.000 1.028 203 V CA -1.031 61.541 62.300 0.453 0.000 0.860 203 V CB 1.358 33.408 31.823 0.378 0.000 0.991 203 V HN 0.355 nan 8.190 nan 0.000 0.427 204 N N 1.639 120.545 118.700 0.342 0.000 2.727 204 N HA -0.147 4.589 4.740 -0.007 0.000 0.251 204 N C -0.501 175.243 175.510 0.390 0.000 1.040 204 N CA 1.139 54.382 53.050 0.323 0.000 0.712 204 N CB -0.573 38.087 38.487 0.287 0.000 0.912 204 N HN 0.830 nan 8.380 nan 0.000 0.545 205 V N 0.045 120.128 119.914 0.281 0.000 2.350 205 V HA 0.430 4.546 4.120 -0.007 0.000 0.276 205 V C 0.486 176.733 176.094 0.255 0.000 1.028 205 V CA -0.628 61.797 62.300 0.207 0.000 0.860 205 V CB 1.577 33.488 31.823 0.147 0.000 0.990 205 V HN 0.324 nan 8.190 nan 0.000 0.453 206 Q N 5.661 125.549 119.800 0.146 0.000 2.267 206 Q HA 0.685 5.021 4.340 -0.007 0.000 0.255 206 Q C -0.366 175.582 176.000 -0.086 0.000 0.923 206 Q CA 0.158 56.016 55.803 0.090 0.000 0.925 206 Q CB 1.444 30.234 28.738 0.088 0.000 1.195 206 Q HN 0.995 nan 8.270 nan 0.000 0.417 207 S N 1.956 117.519 115.700 -0.229 0.000 2.727 207 S HA 0.415 4.881 4.470 -0.007 0.000 0.278 207 S C -0.949 173.560 174.600 -0.152 0.000 1.186 207 S CA -0.622 57.345 58.200 -0.388 0.000 0.836 207 S CB 1.555 64.210 63.200 -0.907 0.000 1.186 207 S HN 0.739 nan 8.310 nan 0.000 0.499 208 T N 1.549 115.978 114.554 -0.209 0.000 2.903 208 T HA 0.435 4.781 4.350 -0.007 0.000 0.314 208 T C -1.541 173.110 174.700 -0.082 0.000 1.078 208 T CA 0.891 62.773 62.100 -0.362 0.000 1.114 208 T CB -0.137 68.436 68.868 -0.492 0.000 0.987 208 T HN 0.416 nan 8.240 nan 0.000 0.548 209 Y N 2.904 123.064 120.300 -0.232 0.000 2.565 209 Y HA 0.365 4.911 4.550 -0.008 0.000 0.330 209 Y C -2.494 173.426 175.900 0.033 0.000 1.150 209 Y CA -2.202 55.877 58.100 -0.035 0.000 1.055 209 Y CB 1.707 40.180 38.460 0.022 0.000 1.337 209 Y HN 0.462 nan 8.280 nan 0.000 0.457 210 P HA 0.227 nan 4.420 nan 0.000 0.268 210 P C 0.212 177.479 177.300 -0.056 0.000 1.208 210 P CA 1.906 64.916 63.100 -0.149 0.000 0.777 210 P CB 0.549 32.097 31.700 -0.253 0.000 0.875 211 G N 1.191 109.956 108.800 -0.059 0.000 2.149 211 G HA2 -0.251 3.704 3.960 -0.007 0.000 0.235 211 G HA3 -0.251 3.704 3.960 -0.007 0.000 0.235 211 G C 0.298 175.145 174.900 -0.088 0.000 1.018 211 G CA 0.111 45.181 45.100 -0.051 0.000 0.728 211 G HN 0.569 nan 8.290 nan 0.000 0.508 212 S N -1.442 114.138 115.700 -0.201 0.000 3.491 212 S HA -0.170 4.296 4.470 -0.007 0.000 0.371 212 S C 0.741 175.107 174.600 -0.389 0.000 0.980 212 S CA 2.249 60.128 58.200 -0.535 0.000 1.204 212 S CB -1.389 61.545 63.200 -0.444 0.000 0.915 212 S HN 1.980 nan 8.310 nan 0.000 0.482 213 T N -1.080 113.348 114.554 -0.211 0.000 2.676 213 T HA 0.797 5.143 4.350 -0.007 0.000 0.269 213 T C -1.393 173.075 174.700 -0.387 0.000 0.952 213 T CA -0.518 61.507 62.100 -0.125 0.000 1.040 213 T CB 0.936 69.854 68.868 0.084 0.000 1.352 213 T HN 0.198 nan 8.240 nan 0.000 0.554 214 Y N -0.639 119.780 120.300 0.198 0.000 2.581 214 Y HA 0.764 5.308 4.550 -0.010 0.000 0.345 214 Y C 0.056 175.963 175.900 0.012 0.000 1.036 214 Y CA -0.812 57.361 58.100 0.121 0.000 1.042 214 Y CB 2.369 40.873 38.460 0.072 0.000 1.289 214 Y HN 0.940 nan 8.280 nan 0.000 0.471 215 A N 0.460 123.318 122.820 0.064 0.000 2.604 215 A HA 0.775 5.091 4.320 -0.007 0.000 0.295 215 A C -1.513 176.127 177.584 0.094 0.000 1.067 215 A CA -0.862 51.114 52.037 -0.102 0.000 0.683 215 A CB 1.244 19.843 19.000 -0.668 0.000 1.281 215 A HN 0.512 nan 8.150 nan 0.000 0.407 216 S N 0.356 116.085 115.700 0.048 0.000 2.462 216 S HA 0.735 5.201 4.470 -0.007 0.000 0.294 216 S C -0.717 173.881 174.600 -0.003 0.000 1.144 216 S CA -0.288 57.984 58.200 0.119 0.000 1.088 216 S CB 0.709 63.971 63.200 0.104 0.000 1.009 216 S HN 0.524 nan 8.310 nan 0.000 0.484 217 L N 3.050 124.251 121.223 -0.036 0.000 2.303 217 L HA 0.623 4.959 4.340 -0.007 0.000 0.256 217 L C -0.442 176.397 176.870 -0.052 0.000 1.034 217 L CA -0.543 54.185 54.840 -0.186 0.000 0.832 217 L CB 1.721 43.424 42.059 -0.592 0.000 1.403 217 L HN 0.537 nan 8.230 nan 0.000 0.419 218 N N 0.278 118.929 118.700 -0.082 0.000 2.265 218 N HA 0.869 5.605 4.740 -0.007 0.000 0.300 218 N C -0.756 174.640 175.510 -0.189 0.000 1.148 218 N CA -0.476 52.562 53.050 -0.020 0.000 0.772 218 N CB 2.489 40.984 38.487 0.013 0.000 1.434 218 N HN 0.762 nan 8.380 nan 0.000 0.481 219 G N -0.998 107.747 108.800 -0.091 0.000 2.318 219 G HA2 -0.019 3.937 3.960 -0.007 0.000 0.302 219 G HA3 -0.019 3.937 3.960 -0.007 0.000 0.302 219 G C 0.463 175.484 174.900 0.202 0.000 1.633 219 G CA -0.068 44.910 45.100 -0.204 0.000 0.965 219 G HN 0.508 nan 8.290 nan 0.000 0.698 220 T N -1.583 113.145 114.554 0.290 0.000 2.977 220 T HA -0.074 4.272 4.350 -0.007 0.000 0.271 220 T C 2.486 177.288 174.700 0.170 0.000 1.105 220 T CA 2.321 64.583 62.100 0.271 0.000 1.116 220 T CB -0.328 68.684 68.868 0.240 0.000 0.878 220 T HN 1.304 nan 8.240 nan 0.000 0.509 221 S N 1.324 117.101 115.700 0.128 0.000 2.419 221 S HA 0.009 4.474 4.470 -0.007 0.000 0.233 221 S C 1.730 176.373 174.600 0.071 0.000 1.016 221 S CA 0.931 59.201 58.200 0.117 0.000 0.974 221 S CB -0.496 62.827 63.200 0.205 0.000 0.786 221 S HN 0.361 nan 8.310 nan 0.000 0.492 222 M N 1.245 120.898 119.600 0.088 0.000 2.501 222 M HA 0.424 4.900 4.480 -0.007 0.000 0.261 222 M C 2.239 178.697 176.300 0.263 0.000 1.129 222 M CA 0.637 56.019 55.300 0.137 0.000 1.126 222 M CB -0.651 32.039 32.600 0.150 0.000 1.359 222 M HN 0.390 nan 8.290 nan 0.000 0.471 223 A N -0.565 122.391 122.820 0.227 0.000 1.872 223 A HA -0.112 4.204 4.320 -0.007 0.000 0.214 223 A C 2.203 179.925 177.584 0.231 0.000 1.187 223 A CA 2.121 54.286 52.037 0.214 0.000 0.614 223 A CB -1.188 17.894 19.000 0.137 0.000 0.826 223 A HN 0.409 nan 8.150 nan 0.000 0.442 224 T N 1.101 115.755 114.554 0.167 0.000 2.624 224 T HA -0.134 4.211 4.350 -0.007 0.000 0.268 224 T C -0.202 174.568 174.700 0.117 0.000 1.041 224 T CA 2.014 64.192 62.100 0.131 0.000 1.159 224 T CB -1.351 67.586 68.868 0.116 0.000 0.863 224 T HN 0.508 nan 8.240 nan 0.000 0.434 225 P HA -0.137 nan 4.420 nan 0.000 0.219 225 P C 0.802 178.072 177.300 -0.050 0.000 1.146 225 P CA 1.494 64.592 63.100 -0.004 0.000 0.808 225 P CB -0.211 31.451 31.700 -0.063 0.000 0.779 226 H N -0.726 118.350 119.070 0.009 0.000 2.387 226 H HA -0.057 4.495 4.556 -0.006 0.000 0.299 226 H C 2.000 177.335 175.328 0.011 0.000 1.090 226 H CA 1.277 57.320 56.048 -0.009 0.000 1.332 226 H CB -0.586 29.154 29.762 -0.036 0.000 1.386 226 H HN -0.071 nan 8.280 nan 0.000 0.516 227 V N 0.270 120.276 119.914 0.153 0.000 2.488 227 V HA -0.133 3.983 4.120 -0.007 0.000 0.246 227 V C 2.512 178.661 176.094 0.091 0.000 1.046 227 V CA 1.229 63.593 62.300 0.107 0.000 1.053 227 V CB -0.767 31.117 31.823 0.102 0.000 0.679 227 V HN 0.545 nan 8.190 nan 0.000 0.458 228 A N 0.942 123.813 122.820 0.085 0.000 1.908 228 A HA -0.142 4.174 4.320 -0.007 0.000 0.218 228 A C 2.423 180.051 177.584 0.072 0.000 1.181 228 A CA 2.134 54.220 52.037 0.081 0.000 0.627 228 A CB -1.302 17.744 19.000 0.077 0.000 0.818 228 A HN 0.512 nan 8.150 nan 0.000 0.445 229 G N -0.467 108.364 108.800 0.051 0.000 2.446 229 G HA2 -0.162 3.794 3.960 -0.007 0.000 0.217 229 G HA3 -0.162 3.794 3.960 -0.007 0.000 0.217 229 G C 1.533 176.466 174.900 0.056 0.000 1.168 229 G CA 1.495 46.621 45.100 0.043 0.000 0.771 229 G HN 0.364 nan 8.290 nan 0.000 0.551 230 V N 1.776 121.728 119.914 0.062 0.000 2.261 230 V HA -0.146 3.970 4.120 -0.007 0.000 0.246 230 V C 3.366 179.504 176.094 0.073 0.000 1.047 230 V CA 2.048 64.384 62.300 0.060 0.000 1.015 230 V CB -1.210 30.649 31.823 0.060 0.000 0.642 230 V HN 0.485 nan 8.190 nan 0.000 0.446 231 A N 0.216 123.088 122.820 0.087 0.000 1.958 231 A HA -0.246 4.070 4.320 -0.007 0.000 0.221 231 A C 2.397 180.029 177.584 0.080 0.000 1.178 231 A CA 2.551 54.649 52.037 0.102 0.000 0.642 231 A CB -0.839 18.226 19.000 0.109 0.000 0.816 231 A HN 0.649 nan 8.150 nan 0.000 0.453 232 A N -1.148 121.711 122.820 0.065 0.000 1.930 232 A HA 0.076 4.392 4.320 -0.007 0.000 0.217 232 A C 2.002 179.595 177.584 0.015 0.000 1.175 232 A CA 1.582 53.643 52.037 0.041 0.000 0.627 232 A CB -0.428 18.602 19.000 0.051 0.000 0.815 232 A HN 0.401 nan 8.150 nan 0.000 0.443 233 L N -0.592 120.647 121.223 0.027 0.000 2.056 233 L HA -0.100 4.236 4.340 -0.007 0.000 0.207 233 L C 2.592 179.447 176.870 -0.024 0.000 1.078 233 L CA 1.332 56.179 54.840 0.012 0.000 0.749 233 L CB -0.734 41.341 42.059 0.026 0.000 0.901 233 L HN 0.199 nan 8.230 nan 0.000 0.433 234 V N -0.541 119.370 119.914 -0.006 0.000 2.295 234 V HA -0.271 3.845 4.120 -0.007 0.000 0.246 234 V C 2.679 178.682 176.094 -0.151 0.000 1.049 234 V CA 1.515 63.788 62.300 -0.046 0.000 1.024 234 V CB -0.543 31.341 31.823 0.102 0.000 0.648 234 V HN 0.400 nan 8.190 nan 0.000 0.447 235 K N -0.134 120.220 120.400 -0.077 0.000 2.097 235 K HA -0.212 4.104 4.320 -0.007 0.000 0.206 235 K C 2.238 178.740 176.600 -0.164 0.000 1.049 235 K CA 1.669 57.891 56.287 -0.109 0.000 0.933 235 K CB -0.240 32.216 32.500 -0.073 0.000 0.717 235 K HN 0.605 nan 8.250 nan 0.000 0.442 236 Q N 0.568 120.290 119.800 -0.129 0.000 2.084 236 Q HA -0.152 4.184 4.340 -0.007 0.000 0.202 236 Q C 2.021 177.930 176.000 -0.151 0.000 0.978 236 Q CA 1.462 57.193 55.803 -0.120 0.000 0.844 236 Q CB 0.042 28.736 28.738 -0.073 0.000 0.898 236 Q HN 0.087 nan 8.270 nan 0.000 0.426 237 K N 0.113 120.403 120.400 -0.183 0.000 2.228 237 K HA -0.057 4.259 4.320 -0.007 0.000 0.202 237 K C -0.387 175.994 176.600 -0.365 0.000 1.051 237 K CA 0.888 57.039 56.287 -0.226 0.000 0.960 237 K CB 0.220 32.593 32.500 -0.212 0.000 0.743 237 K HN 0.249 nan 8.250 nan 0.000 0.458 238 N N 0.739 119.131 118.700 -0.515 0.000 2.790 238 N HA 0.147 4.882 4.740 -0.007 0.000 0.256 238 N C -2.443 172.785 175.510 -0.470 0.000 1.409 238 N CA -1.205 51.380 53.050 -0.775 0.000 0.799 238 N CB 1.776 39.124 38.487 -1.898 0.000 1.170 238 N HN -0.075 nan 8.380 nan 0.000 0.507 239 P HA -0.193 nan 4.420 nan 0.000 0.219 239 P C 1.375 178.657 177.300 -0.029 0.000 1.146 239 P CA 1.136 64.161 63.100 -0.124 0.000 0.808 239 P CB 0.262 31.906 31.700 -0.094 0.000 0.779 240 S N -3.111 112.596 115.700 0.011 0.000 2.453 240 S HA -0.079 4.386 4.470 -0.007 0.000 0.231 240 S C 0.604 175.367 174.600 0.271 0.000 1.005 240 S CA -0.116 58.162 58.200 0.130 0.000 0.949 240 S CB -1.010 62.279 63.200 0.148 0.000 0.774 240 S HN -0.020 nan 8.310 nan 0.000 0.510 241 W N 3.728 125.019 121.300 -0.014 0.000 2.158 241 W HA 0.531 5.190 4.660 -0.002 0.000 0.339 241 W C 1.121 177.647 176.519 0.012 0.000 1.294 241 W CA -1.322 56.017 57.345 -0.010 0.000 1.231 241 W CB -0.056 29.387 29.460 -0.027 0.000 1.143 241 W HN 0.351 nan 8.180 nan 0.000 0.571 242 S N 1.456 117.276 115.700 0.199 0.000 2.738 242 S HA 0.241 4.707 4.470 -0.007 0.000 0.284 242 S C 1.167 175.841 174.600 0.123 0.000 1.146 242 S CA -0.277 57.997 58.200 0.123 0.000 0.997 242 S CB 0.932 64.162 63.200 0.050 0.000 1.081 242 S HN 0.475 nan 8.310 nan 0.000 0.553 243 N N 1.032 119.791 118.700 0.098 0.000 2.036 243 N HA -0.168 4.568 4.740 -0.007 0.000 0.195 243 N C 1.715 177.268 175.510 0.073 0.000 1.037 243 N CA 1.742 54.849 53.050 0.095 0.000 0.855 243 N CB -1.515 37.017 38.487 0.075 0.000 1.033 243 N HN 0.477 nan 8.380 nan 0.000 0.423 244 V N 0.760 120.695 119.914 0.035 0.000 2.469 244 V HA -0.259 3.856 4.120 -0.007 0.000 0.251 244 V C 2.288 178.368 176.094 -0.023 0.000 1.064 244 V CA 1.848 64.153 62.300 0.007 0.000 1.066 244 V CB -0.493 31.323 31.823 -0.011 0.000 0.667 244 V HN 0.341 nan 8.190 nan 0.000 0.461 245 Q N -0.424 119.334 119.800 -0.069 0.000 2.016 245 Q HA -0.136 4.200 4.340 -0.007 0.000 0.200 245 Q C 2.218 178.197 176.000 -0.034 0.000 0.978 245 Q CA 2.259 57.930 55.803 -0.220 0.000 0.833 245 Q CB -0.245 28.191 28.738 -0.504 0.000 0.895 245 Q HN 0.639 nan 8.270 nan 0.000 0.427 246 I N 0.491 121.166 120.570 0.175 0.000 2.163 246 I HA -0.332 3.834 4.170 -0.007 0.000 0.243 246 I C 2.703 178.943 176.117 0.204 0.000 1.085 246 I CA 1.185 62.666 61.300 0.301 0.000 1.347 246 I CB -0.374 37.785 38.000 0.266 0.000 1.044 246 I HN 0.200 nan 8.210 nan 0.000 0.408 247 R N 1.035 121.611 120.500 0.127 0.000 2.097 247 R HA -0.208 4.128 4.340 -0.007 0.000 0.236 247 R C 2.160 178.511 176.300 0.085 0.000 1.135 247 R CA 2.056 58.214 56.100 0.097 0.000 0.934 247 R CB -0.328 30.012 30.300 0.066 0.000 0.846 247 R HN 0.408 nan 8.270 nan 0.000 0.431 248 N N -0.198 118.537 118.700 0.058 0.000 2.166 248 N HA -0.195 4.541 4.740 -0.007 0.000 0.186 248 N C 1.731 177.289 175.510 0.081 0.000 1.019 248 N CA 1.021 54.095 53.050 0.041 0.000 0.856 248 N CB -0.478 38.006 38.487 -0.005 0.000 0.993 248 N HN 0.462 nan 8.380 nan 0.000 0.426 249 H N 0.050 119.130 119.070 0.015 0.000 2.395 249 H HA 0.000 4.552 4.556 -0.007 0.000 0.299 249 H C 1.840 177.225 175.328 0.095 0.000 1.070 249 H CA 0.628 56.721 56.048 0.075 0.000 1.356 249 H CB 0.269 30.152 29.762 0.201 0.000 1.401 249 H HN 0.025 nan 8.280 nan 0.000 0.524 250 L N 1.393 122.703 121.223 0.145 0.000 2.017 250 L HA -0.147 4.189 4.340 -0.007 0.000 0.208 250 L C 2.455 179.332 176.870 0.012 0.000 1.073 250 L CA 1.686 56.568 54.840 0.070 0.000 0.745 250 L CB -0.352 41.775 42.059 0.113 0.000 0.894 250 L HN 0.108 nan 8.230 nan 0.000 0.432 251 K N -0.865 119.552 120.400 0.028 0.000 2.025 251 K HA -0.102 4.214 4.320 -0.007 0.000 0.207 251 K C 1.844 178.435 176.600 -0.016 0.000 1.049 251 K CA 1.290 57.585 56.287 0.013 0.000 0.933 251 K CB -0.244 32.271 32.500 0.025 0.000 0.714 251 K HN 0.281 nan 8.250 nan 0.000 0.438 252 N N 0.488 119.169 118.700 -0.031 0.000 2.364 252 N HA -0.099 4.636 4.740 -0.007 0.000 0.183 252 N C 1.184 176.635 175.510 -0.098 0.000 1.022 252 N CA 1.619 54.637 53.050 -0.053 0.000 0.883 252 N CB -0.017 38.452 38.487 -0.031 0.000 0.965 252 N HN 0.361 nan 8.380 nan 0.000 0.438 253 T N -2.611 111.851 114.554 -0.155 0.000 3.105 253 T HA 0.484 4.829 4.350 -0.007 0.000 0.253 253 T C 0.630 175.278 174.700 -0.087 0.000 1.047 253 T CA -0.499 61.505 62.100 -0.160 0.000 0.944 253 T CB 0.369 69.076 68.868 -0.267 0.000 1.016 253 T HN 0.109 nan 8.240 nan 0.000 0.544 254 A N 1.572 124.356 122.820 -0.059 0.000 2.386 254 A HA 0.533 4.849 4.320 -0.007 0.000 0.248 254 A C 0.538 178.098 177.584 -0.041 0.000 1.082 254 A CA -0.364 51.651 52.037 -0.037 0.000 0.789 254 A CB -0.008 18.982 19.000 -0.017 0.000 1.025 254 A HN 0.317 nan 8.150 nan 0.000 0.490 255 T N 2.012 116.539 114.554 -0.044 0.000 2.737 255 T HA 0.416 4.762 4.350 -0.007 0.000 0.296 255 T C 0.841 175.496 174.700 -0.075 0.000 0.922 255 T CA 0.651 62.717 62.100 -0.056 0.000 1.079 255 T CB 0.427 69.261 68.868 -0.057 0.000 0.892 255 T HN 0.922 nan 8.240 nan 0.000 0.514 256 G N 3.550 112.309 108.800 -0.068 0.000 2.343 256 G HA2 0.433 4.389 3.960 -0.007 0.000 0.254 256 G HA3 0.433 4.389 3.960 -0.007 0.000 0.254 256 G C -0.391 174.421 174.900 -0.147 0.000 1.277 256 G CA -0.487 44.566 45.100 -0.079 0.000 0.909 256 G HN 0.721 nan 8.290 nan 0.000 0.502 257 L N 3.054 124.126 121.223 -0.252 0.000 2.318 257 L HA 0.323 4.659 4.340 -0.007 0.000 0.277 257 L C 1.262 177.931 176.870 -0.334 0.000 1.008 257 L CA -1.028 53.513 54.840 -0.498 0.000 0.846 257 L CB 1.853 43.279 42.059 -1.055 0.000 1.220 257 L HN 0.666 nan 8.230 nan 0.000 0.423 258 G N 2.312 111.018 108.800 -0.157 0.000 3.106 258 G HA2 -0.136 3.820 3.960 -0.007 0.000 0.230 258 G HA3 -0.136 3.820 3.960 -0.007 0.000 0.230 258 G C 0.308 175.263 174.900 0.091 0.000 0.949 258 G CA 0.319 45.409 45.100 -0.017 0.000 1.827 258 G HN 0.662 nan 8.290 nan 0.000 0.573 259 N N -0.178 118.652 118.700 0.217 0.000 2.752 259 N HA -0.012 4.723 4.740 -0.007 0.000 0.268 259 N C 1.019 176.634 175.510 0.176 0.000 1.190 259 N CA 0.173 53.326 53.050 0.173 0.000 0.897 259 N CB 0.755 39.325 38.487 0.137 0.000 1.515 259 N HN 0.033 nan 8.380 nan 0.000 0.567 260 T N -0.484 114.126 114.554 0.092 0.000 3.113 260 T HA -0.018 4.328 4.350 -0.007 0.000 0.263 260 T C 1.287 176.020 174.700 0.055 0.000 1.143 260 T CA 0.727 62.877 62.100 0.084 0.000 1.090 260 T CB 0.044 68.946 68.868 0.056 0.000 0.922 260 T HN 0.516 nan 8.240 nan 0.000 0.521 261 N N 1.015 119.731 118.700 0.027 0.000 2.173 261 N HA 0.040 4.775 4.740 -0.007 0.000 0.184 261 N C 1.767 177.265 175.510 -0.019 0.000 1.025 261 N CA 0.991 54.058 53.050 0.028 0.000 0.852 261 N CB -0.041 38.467 38.487 0.036 0.000 0.998 261 N HN 0.434 nan 8.380 nan 0.000 0.427 262 L N -0.787 120.282 121.223 -0.257 0.000 2.209 262 L HA -0.010 4.325 4.340 -0.007 0.000 0.207 262 L C 1.102 177.641 176.870 -0.552 0.000 1.094 262 L CA 0.653 55.137 54.840 -0.593 0.000 0.790 262 L CB -0.221 41.215 42.059 -1.039 0.000 0.932 262 L HN 0.174 nan 8.230 nan 0.000 0.447 263 Y N -0.428 119.856 120.300 -0.027 0.000 2.430 263 Y HA 0.423 4.969 4.550 -0.007 0.000 0.248 263 Y C 1.725 177.628 175.900 0.006 0.000 1.108 263 Y CA 0.001 58.095 58.100 -0.011 0.000 1.264 263 Y CB -0.130 38.313 38.460 -0.028 0.000 1.172 263 Y HN 0.158 nan 8.280 nan 0.000 0.520 264 G N 0.608 109.487 108.800 0.132 0.000 2.574 264 G HA2 -0.376 3.580 3.960 -0.007 0.000 0.286 264 G HA3 -0.376 3.580 3.960 -0.007 0.000 0.286 264 G C 1.387 176.344 174.900 0.094 0.000 1.212 264 G CA 0.581 45.735 45.100 0.091 0.000 0.979 264 G HN 0.221 nan 8.290 nan 0.000 0.557 265 S N 0.998 116.738 115.700 0.066 0.000 2.399 265 S HA 0.351 4.817 4.470 -0.007 0.000 0.231 265 S C 1.386 176.004 174.600 0.030 0.000 1.022 265 S CA 2.047 60.272 58.200 0.042 0.000 0.983 265 S CB -0.614 62.601 63.200 0.025 0.000 0.803 265 S HN 2.409 nan 8.310 nan 0.000 0.480 266 G N 0.248 109.077 108.800 0.047 0.000 2.316 266 G HA2 0.073 4.029 3.960 -0.007 0.000 0.349 266 G HA3 0.073 4.029 3.960 -0.007 0.000 0.349 266 G C -1.462 173.440 174.900 0.002 0.000 1.274 266 G CA -0.813 44.282 45.100 -0.008 0.000 1.018 266 G HN 0.254 nan 8.290 nan 0.000 0.486 267 L N 0.994 122.195 121.223 -0.037 0.000 2.418 267 L HA 0.574 4.910 4.340 -0.007 0.000 0.274 267 L C 1.244 178.106 176.870 -0.013 0.000 1.135 267 L CA 0.033 54.860 54.840 -0.021 0.000 0.870 267 L CB 0.924 42.959 42.059 -0.040 0.000 1.154 267 L HN 1.114 nan 8.230 nan 0.000 0.462 268 V N 6.269 126.184 119.914 0.001 0.000 2.814 268 V HA 0.026 4.142 4.120 -0.007 0.000 0.307 268 V C 0.053 176.144 176.094 -0.006 0.000 1.089 268 V CA 0.281 62.585 62.300 0.007 0.000 1.212 268 V CB 0.524 32.366 31.823 0.031 0.000 0.912 268 V HN 1.015 nan 8.190 nan 0.000 0.497 269 N N 4.588 123.282 118.700 -0.010 0.000 2.577 269 N HA 0.514 5.250 4.740 -0.007 0.000 0.275 269 N C 0.330 175.831 175.510 -0.015 0.000 1.091 269 N CA 0.107 53.146 53.050 -0.018 0.000 0.843 269 N CB 1.699 40.169 38.487 -0.028 0.000 1.295 269 N HN 0.681 nan 8.380 nan 0.000 0.530 270 A N 2.192 125.001 122.820 -0.019 0.000 1.902 270 A HA -0.076 4.240 4.320 -0.007 0.000 0.217 270 A C 1.008 178.576 177.584 -0.026 0.000 1.181 270 A CA 1.076 53.098 52.037 -0.024 0.000 0.623 270 A CB -0.387 18.578 19.000 -0.059 0.000 0.818 270 A HN 0.622 nan 8.150 nan 0.000 0.443 271 E N -0.990 119.190 120.200 -0.034 0.000 2.383 271 E HA 0.385 4.731 4.350 -0.007 0.000 0.264 271 E C 0.811 177.403 176.600 -0.013 0.000 1.050 271 E CA 0.742 57.127 56.400 -0.025 0.000 0.896 271 E CB 0.961 30.645 29.700 -0.027 0.000 0.982 271 E HN 1.044 nan 8.360 nan 0.000 0.424 272 A N 3.866 126.686 122.820 -0.000 0.000 1.360 272 A HA -0.307 4.009 4.320 -0.007 0.000 0.215 272 A C 1.774 179.354 177.584 -0.006 0.000 0.516 272 A CA 1.887 53.918 52.037 -0.009 0.000 1.108 272 A CB -2.270 16.712 19.000 -0.030 0.000 1.464 272 A HN 1.183 nan 8.150 nan 0.000 0.721 273 A N -0.599 122.216 122.820 -0.009 0.000 2.015 273 A HA 0.238 4.553 4.320 -0.007 0.000 0.219 273 A C 1.975 179.679 177.584 0.200 0.000 1.163 273 A CA 2.770 54.826 52.037 0.033 0.000 0.646 273 A CB -0.889 18.139 19.000 0.047 0.000 0.806 273 A HN 2.007 nan 8.150 nan 0.000 0.448 274 T N -3.173 111.444 114.554 0.105 0.000 3.134 274 T HA 0.349 4.695 4.350 -0.007 0.000 0.260 274 T C 0.744 175.476 174.700 0.054 0.000 1.027 274 T CA -0.512 61.627 62.100 0.064 0.000 0.913 274 T CB -0.036 68.836 68.868 0.007 0.000 1.046 274 T HN 0.364 nan 8.240 nan 0.000 0.553 275 R N 0.000 120.551 120.500 0.085 0.000 2.786 275 R HA 0.000 4.336 4.340 -0.007 0.000 0.208 275 R CA 0.000 56.138 56.100 0.063 0.000 0.921 275 R CB 0.000 30.336 30.300 0.060 0.000 0.687 275 R HN 0.000 nan 8.270 nan 0.000 0.535