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 3gw3_1_A DATA FIRST_RESID 10 DATA SEQUENCE GFPELKNDTF LRAAWGEETD YTPVWCMRQA GRYLPEFRET RAAQDFFSTC DATA SEQUENCE RSPEACCELT LQPLRRFPLD AAIIFSDILV VPQALGMEVT MVPGKGPSFP DATA SEQUENCE EPLREEQDLE RLRDPEVVAS ELGYVFQAIT LTRQRLAGRV PLIGFAGAPW DATA SEQUENCE TLMTYMVEGG GSSTMAQAKR WLYQRPQASH QLLRILTDAL VPYLVGQVVA DATA SEQUENCE GAQALQLFES HAGHLGPQLF NKFALPYIRD VAKQVKARLR EAGLAPVPMI DATA SEQUENCE IFAKDGHFAL EELAQAGYEV VGLDWTVAPK KARECVGNTV TLQGNLDPCA DATA SEQUENCE LYASEEEIGQ LVKQMLDDFG PHRYIANLGH GLYPDMDPEH VGAFVDAVHK DATA SEQUENCE HSRLLRQ 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 10 G C 0.000 174.650 174.900 -0.417 0.000 0.946 10 G CA 0.000 44.912 45.100 -0.314 0.000 0.502 11 F N 1.084 121.038 119.950 0.007 0.000 2.575 11 F HA 0.645 5.172 4.527 -0.000 0.000 0.330 11 F C -1.897 173.909 175.800 0.011 0.000 1.056 11 F CA -2.342 55.663 58.000 0.010 0.000 0.964 11 F CB 1.384 40.390 39.000 0.011 0.000 1.258 11 F HN -0.203 nan 8.300 nan 0.000 0.484 12 P HA 0.061 nan 4.420 nan 0.000 0.271 12 P C -0.970 176.395 177.300 0.109 0.000 1.218 12 P CA -0.432 62.748 63.100 0.133 0.000 0.780 12 P CB 0.536 32.300 31.700 0.106 0.000 0.901 13 E N 1.571 121.817 120.200 0.076 0.000 2.344 13 E HA 0.081 4.431 4.350 -0.000 0.000 0.270 13 E C -0.526 176.106 176.600 0.053 0.000 1.021 13 E CA -0.688 55.750 56.400 0.063 0.000 0.887 13 E CB 0.414 30.142 29.700 0.048 0.000 0.997 13 E HN 0.258 nan 8.360 nan 0.000 0.429 14 L N 5.380 126.634 121.223 0.052 0.000 2.462 14 L HA 0.008 4.348 4.340 -0.000 0.000 0.272 14 L C 0.730 177.628 176.870 0.046 0.000 1.166 14 L CA 0.859 55.726 54.840 0.046 0.000 0.880 14 L CB 0.553 42.642 42.059 0.051 0.000 1.142 14 L HN 0.600 nan 8.230 nan 0.000 0.473 15 K N 2.665 123.091 120.400 0.044 0.000 2.063 15 K HA 0.063 4.382 4.320 -0.000 0.000 0.204 15 K C 0.309 176.941 176.600 0.054 0.000 1.039 15 K CA 0.592 56.906 56.287 0.044 0.000 0.957 15 K CB 0.038 32.560 32.500 0.038 0.000 0.764 15 K HN 0.563 nan 8.250 nan 0.000 0.447 16 N N 2.063 120.801 118.700 0.063 0.000 2.485 16 N HA -0.016 4.724 4.740 -0.000 0.000 0.243 16 N C -1.105 174.461 175.510 0.093 0.000 0.987 16 N CA -0.305 52.798 53.050 0.087 0.000 0.940 16 N CB 0.946 39.494 38.487 0.101 0.000 1.122 16 N HN 0.108 nan 8.380 nan 0.000 0.509 17 D N 1.648 122.102 120.400 0.089 0.000 2.463 17 D HA 0.073 4.713 4.640 -0.000 0.000 0.224 17 D C 0.438 176.791 176.300 0.088 0.000 1.174 17 D CA -0.131 53.929 54.000 0.100 0.000 0.829 17 D CB -0.153 40.700 40.800 0.089 0.000 0.993 17 D HN 0.328 nan 8.370 nan 0.000 0.497 18 T N 0.172 114.764 114.554 0.064 0.000 2.720 18 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 18 T C 1.297 175.989 174.700 -0.013 0.000 1.037 18 T CA 1.119 63.191 62.100 -0.048 0.000 1.144 18 T CB -0.526 68.209 68.868 -0.222 0.000 0.864 18 T HN 0.304 nan 8.240 nan 0.000 0.444 19 F N 1.670 121.582 119.950 -0.063 0.000 2.134 19 F HA -0.018 4.508 4.527 -0.000 0.000 0.299 19 F C 1.843 177.607 175.800 -0.060 0.000 1.097 19 F CA 1.101 59.065 58.000 -0.061 0.000 1.264 19 F CB -0.427 38.538 39.000 -0.058 0.000 1.001 19 F HN 0.062 nan 8.300 nan 0.000 0.479 20 L N -0.126 121.077 121.223 -0.034 0.000 2.072 20 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 20 L C 2.667 179.531 176.870 -0.011 0.000 1.079 20 L CA 1.163 55.941 54.840 -0.102 0.000 0.752 20 L CB -0.677 41.474 42.059 0.154 0.000 0.906 20 L HN 0.029 nan 8.230 nan 0.000 0.436 21 R N 0.211 120.739 120.500 0.047 0.000 2.081 21 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 21 R C 2.459 178.766 176.300 0.011 0.000 1.131 21 R CA 1.391 57.541 56.100 0.083 0.000 0.960 21 R CB -0.561 29.764 30.300 0.041 0.000 0.856 21 R HN 0.343 nan 8.270 nan 0.000 0.436 22 A N 1.387 124.144 122.820 -0.105 0.000 1.908 22 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 22 A C 2.393 179.863 177.584 -0.190 0.000 1.181 22 A CA 1.786 53.741 52.037 -0.137 0.000 0.627 22 A CB -0.645 18.243 19.000 -0.187 0.000 0.818 22 A HN 0.416 nan 8.150 nan 0.000 0.445 23 A N -1.577 121.009 122.820 -0.389 0.000 1.933 23 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 23 A C 1.895 179.256 177.584 -0.371 0.000 1.175 23 A CA 1.226 52.957 52.037 -0.510 0.000 0.628 23 A CB -0.851 17.627 19.000 -0.870 0.000 0.814 23 A HN 0.770 nan 8.150 nan 0.000 0.444 24 W N -1.303 119.919 121.300 -0.129 0.000 3.047 24 W HA 0.346 5.005 4.660 -0.000 0.000 0.250 24 W C 1.587 178.080 176.519 -0.044 0.000 1.314 24 W CA 0.617 57.919 57.345 -0.071 0.000 1.540 24 W CB 0.231 29.654 29.460 -0.062 0.000 1.127 24 W HN 0.575 nan 8.180 nan 0.000 0.679 25 G N 0.477 109.359 108.800 0.136 0.000 2.144 25 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 25 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 25 G C -0.080 174.879 174.900 0.099 0.000 0.988 25 G CA -0.464 44.699 45.100 0.104 0.000 0.659 25 G HN 0.305 nan 8.290 nan 0.000 0.522 26 E N 0.216 120.475 120.200 0.099 0.000 2.349 26 E HA 0.485 4.834 4.350 -0.000 0.000 0.265 26 E C 0.333 176.974 176.600 0.067 0.000 1.064 26 E CA -0.567 55.877 56.400 0.074 0.000 0.886 26 E CB 0.786 30.525 29.700 0.065 0.000 1.036 26 E HN 0.294 nan 8.360 nan 0.000 0.413 27 E N 1.162 121.407 120.200 0.075 0.000 2.392 27 E HA 0.053 4.403 4.350 -0.000 0.000 0.264 27 E C -0.807 175.813 176.600 0.033 0.000 1.024 27 E CA 0.171 56.623 56.400 0.087 0.000 0.903 27 E CB 0.570 30.335 29.700 0.108 0.000 0.963 27 E HN 0.495 nan 8.360 nan 0.000 0.432 28 T N 0.485 115.040 114.554 0.003 0.000 2.901 28 T HA 0.334 4.684 4.350 -0.000 0.000 0.293 28 T C 0.117 174.798 174.700 -0.032 0.000 1.084 28 T CA -0.901 61.166 62.100 -0.055 0.000 1.008 28 T CB 1.210 69.977 68.868 -0.169 0.000 1.170 28 T HN 0.228 nan 8.240 nan 0.000 0.509 29 D N -0.254 120.139 120.400 -0.013 0.000 2.317 29 D HA 0.179 4.819 4.640 -0.000 0.000 0.211 29 D C 0.220 176.633 176.300 0.188 0.000 0.966 29 D CA 1.232 55.290 54.000 0.097 0.000 0.876 29 D CB -0.103 40.791 40.800 0.157 0.000 0.927 29 D HN 0.715 nan 8.370 nan 0.000 0.519 30 Y N -3.699 116.608 120.300 0.011 0.000 2.725 30 Y HA 0.460 5.010 4.550 -0.000 0.000 0.333 30 Y C -0.847 175.075 175.900 0.036 0.000 1.242 30 Y CA -1.336 56.776 58.100 0.020 0.000 1.059 30 Y CB 0.637 39.096 38.460 -0.003 0.000 1.306 30 Y HN -0.445 nan 8.280 nan 0.000 0.454 31 T N 4.816 119.452 114.554 0.136 0.000 2.743 31 T HA 0.395 4.745 4.350 -0.000 0.000 0.293 31 T C -2.670 172.062 174.700 0.053 0.000 0.945 31 T CA -1.265 60.830 62.100 -0.009 0.000 1.030 31 T CB 0.888 69.779 68.868 0.039 0.000 0.912 31 T HN 0.397 nan 8.240 nan 0.000 0.483 32 P HA 0.399 nan 4.420 nan 0.000 0.277 32 P C -0.907 176.461 177.300 0.114 0.000 1.240 32 P CA -0.464 62.706 63.100 0.116 0.000 0.798 32 P CB 1.161 32.913 31.700 0.087 0.000 0.979 33 V N 3.961 123.991 119.914 0.194 0.000 2.888 33 V HA 0.786 4.906 4.120 -0.000 0.000 0.309 33 V C -1.583 174.645 176.094 0.222 0.000 1.114 33 V CA -0.546 61.785 62.300 0.052 0.000 0.940 33 V CB 1.765 33.443 31.823 -0.241 0.000 1.021 33 V HN 0.803 nan 8.190 nan 0.000 0.426 34 W N 4.352 125.635 121.300 -0.029 0.000 3.047 34 W HA 0.783 5.443 4.660 -0.000 0.000 0.341 34 W C -2.023 174.497 176.519 0.002 0.000 1.225 34 W CA -1.277 56.046 57.345 -0.036 0.000 1.150 34 W CB 1.081 30.467 29.460 -0.123 0.000 1.470 34 W HN 0.654 nan 8.180 nan 0.000 0.578 35 C N 2.373 121.662 119.300 -0.018 0.000 2.408 35 C HA 0.506 4.966 4.460 -0.000 0.000 0.321 35 C C 0.687 175.479 174.990 -0.329 0.000 1.245 35 C CA -0.585 58.242 59.018 -0.317 0.000 1.523 35 C CB 0.721 28.329 27.740 -0.221 0.000 2.178 35 C HN 0.608 nan 8.230 nan 0.000 0.488 36 M N 2.777 122.012 119.600 -0.608 0.000 2.248 36 M HA 0.127 4.607 4.480 -0.000 0.000 0.345 36 M C 1.035 177.237 176.300 -0.164 0.000 1.243 36 M CA 0.975 56.091 55.300 -0.307 0.000 1.090 36 M CB 0.199 32.601 32.600 -0.330 0.000 1.683 36 M HN 0.751 nan 8.290 nan 0.000 0.450 37 R N 0.599 121.074 120.500 -0.042 0.000 3.770 37 R HA -0.255 4.085 4.340 -0.000 0.000 0.305 37 R C 1.155 177.505 176.300 0.085 0.000 1.184 37 R CA 1.089 57.183 56.100 -0.010 0.000 0.823 37 R CB -1.947 28.299 30.300 -0.090 0.000 1.285 37 R HN 0.891 nan 8.270 nan 0.000 0.499 38 Q N -0.380 119.513 119.800 0.155 0.000 2.170 38 Q HA -0.015 4.325 4.340 -0.000 0.000 0.203 38 Q C 0.765 176.994 176.000 0.381 0.000 0.976 38 Q CA 1.591 57.562 55.803 0.279 0.000 0.858 38 Q CB 0.157 29.068 28.738 0.287 0.000 0.907 38 Q HN 0.422 nan 8.270 nan 0.000 0.433 39 A N 1.079 124.075 122.820 0.294 0.000 2.415 39 A HA 0.624 4.943 4.320 -0.000 0.000 0.309 39 A C 0.065 177.661 177.584 0.021 0.000 1.356 39 A CA 0.221 52.425 52.037 0.277 0.000 0.998 39 A CB 0.264 19.513 19.000 0.416 0.000 1.145 39 A HN 0.433 nan 8.150 nan 0.000 0.545 40 G N 0.861 109.405 108.800 -0.428 0.000 2.600 40 G HA2 0.422 4.382 3.960 -0.000 0.000 0.293 40 G HA3 0.422 4.382 3.960 -0.000 0.000 0.293 40 G C 0.201 174.449 174.900 -1.086 0.000 1.408 40 G CA -0.821 43.712 45.100 -0.946 0.000 0.782 40 G HN 0.496 nan 8.290 nan 0.000 0.482 41 R N -0.810 119.266 120.500 -0.707 0.000 2.285 41 R HA -0.059 4.280 4.340 -0.000 0.000 0.213 41 R C 2.018 178.269 176.300 -0.082 0.000 1.068 41 R CA 1.518 57.467 56.100 -0.253 0.000 1.004 41 R CB -0.349 29.925 30.300 -0.043 0.000 0.873 41 R HN 0.699 nan 8.270 nan 0.000 0.467 42 Y N -0.428 119.800 120.300 -0.120 0.000 2.421 42 Y HA 0.037 4.587 4.550 -0.000 0.000 0.292 42 Y C 0.483 176.386 175.900 0.004 0.000 1.136 42 Y CA 0.103 58.180 58.100 -0.038 0.000 1.255 42 Y CB -0.160 38.274 38.460 -0.043 0.000 0.991 42 Y HN -0.139 nan 8.280 nan 0.000 0.552 43 L N 2.868 123.622 121.223 -0.780 0.000 2.265 43 L HA 0.231 4.571 4.340 -0.000 0.000 0.288 43 L C -1.538 175.239 176.870 -0.156 0.000 1.058 43 L CA -2.081 52.456 54.840 -0.506 0.000 0.809 43 L CB 1.287 43.035 42.059 -0.519 0.000 1.179 43 L HN -0.072 nan 8.230 nan 0.000 0.429 44 P HA -0.196 nan 4.420 nan 0.000 0.216 44 P C 1.213 178.499 177.300 -0.024 0.000 1.150 44 P CA 0.996 64.075 63.100 -0.035 0.000 0.837 44 P CB 0.140 31.820 31.700 -0.034 0.000 0.786 45 E N -0.629 119.543 120.200 -0.047 0.000 2.150 45 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 45 E C 1.998 178.571 176.600 -0.045 0.000 0.985 45 E CA 0.974 57.342 56.400 -0.053 0.000 0.814 45 E CB -1.440 28.217 29.700 -0.071 0.000 0.752 45 E HN 0.280 nan 8.360 nan 0.000 0.466 46 F N 2.362 122.208 119.950 -0.173 0.000 2.102 46 F HA -0.077 4.450 4.527 -0.000 0.000 0.298 46 F C 2.572 178.283 175.800 -0.148 0.000 1.105 46 F CA 1.563 59.451 58.000 -0.187 0.000 1.239 46 F CB 0.034 38.916 39.000 -0.198 0.000 0.991 46 F HN -0.167 nan 8.300 nan 0.000 0.474 47 R N 0.165 120.774 120.500 0.182 0.000 2.091 47 R HA -0.219 4.121 4.340 -0.000 0.000 0.238 47 R C 2.249 178.518 176.300 -0.051 0.000 1.136 47 R CA 1.848 58.004 56.100 0.094 0.000 0.959 47 R CB -0.661 29.697 30.300 0.096 0.000 0.856 47 R HN 0.456 nan 8.270 nan 0.000 0.437 48 E N 0.226 120.388 120.200 -0.063 0.000 2.038 48 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 48 E C 1.963 178.481 176.600 -0.137 0.000 1.000 48 E CA 2.018 58.368 56.400 -0.084 0.000 0.803 48 E CB -0.054 29.605 29.700 -0.069 0.000 0.750 48 E HN 0.317 nan 8.360 nan 0.000 0.448 49 T N -0.870 113.563 114.554 -0.202 0.000 2.951 49 T HA -0.041 4.308 4.350 -0.000 0.000 0.268 49 T C 1.861 176.380 174.700 -0.303 0.000 1.073 49 T CA 0.496 62.451 62.100 -0.242 0.000 1.134 49 T CB -0.139 68.577 68.868 -0.253 0.000 0.884 49 T HN 0.034 nan 8.240 nan 0.000 0.479 50 R N 0.803 121.067 120.500 -0.394 0.000 2.115 50 R HA 0.236 4.576 4.340 -0.000 0.000 0.226 50 R C 2.787 178.982 176.300 -0.175 0.000 1.100 50 R CA 1.136 57.020 56.100 -0.359 0.000 0.980 50 R CB -1.080 28.960 30.300 -0.434 0.000 0.875 50 R HN 0.576 nan 8.270 nan 0.000 0.445 51 A N 1.025 123.769 122.820 -0.127 0.000 2.131 51 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 51 A C 2.249 179.790 177.584 -0.070 0.000 1.158 51 A CA 1.583 53.578 52.037 -0.070 0.000 0.665 51 A CB -0.311 18.658 19.000 -0.052 0.000 0.795 51 A HN 0.344 nan 8.150 nan 0.000 0.460 52 A N -0.994 121.768 122.820 -0.097 0.000 1.854 52 A HA 0.126 4.445 4.320 -0.000 0.000 0.214 52 A C 1.286 178.826 177.584 -0.073 0.000 1.192 52 A CA 1.220 53.207 52.037 -0.083 0.000 0.611 52 A CB -0.153 18.788 19.000 -0.098 0.000 0.832 52 A HN 0.590 nan 8.150 nan 0.000 0.442 53 Q N -0.153 119.593 119.800 -0.090 0.000 2.306 53 Q HA 0.482 4.822 4.340 -0.000 0.000 0.269 53 Q C -0.852 175.119 176.000 -0.048 0.000 1.053 53 Q CA -0.380 55.380 55.803 -0.072 0.000 0.879 53 Q CB 0.806 29.488 28.738 -0.094 0.000 1.344 53 Q HN 0.578 nan 8.270 nan 0.000 0.464 54 D N -0.996 119.395 120.400 -0.013 0.000 2.358 54 D HA 0.032 4.672 4.640 -0.000 0.000 0.244 54 D C 0.063 176.390 176.300 0.045 0.000 1.163 54 D CA -0.544 53.480 54.000 0.041 0.000 0.945 54 D CB 0.475 41.317 40.800 0.070 0.000 1.152 54 D HN 0.440 nan 8.370 nan 0.000 0.451 55 F N 0.258 120.177 119.950 -0.051 0.000 2.043 55 F HA -0.158 4.369 4.527 -0.000 0.000 0.297 55 F C 1.611 177.280 175.800 -0.218 0.000 1.121 55 F CA 1.445 59.346 58.000 -0.164 0.000 1.199 55 F CB -0.225 38.598 39.000 -0.295 0.000 0.968 55 F HN 0.369 nan 8.300 nan 0.000 0.478 56 F N -0.755 119.276 119.950 0.134 0.000 2.661 56 F HA -0.044 4.483 4.527 -0.000 0.000 0.298 56 F C 2.673 178.388 175.800 -0.142 0.000 1.137 56 F CA 0.927 58.924 58.000 -0.006 0.000 1.454 56 F CB -0.740 38.300 39.000 0.067 0.000 1.103 56 F HN 0.047 nan 8.300 nan 0.000 0.577 57 S N -0.455 115.249 115.700 0.007 0.000 2.377 57 S HA -0.142 4.328 4.470 -0.000 0.000 0.223 57 S C 2.169 176.687 174.600 -0.136 0.000 1.030 57 S CA 1.838 59.992 58.200 -0.078 0.000 0.970 57 S CB -0.460 62.712 63.200 -0.047 0.000 0.830 57 S HN 0.310 nan 8.310 nan 0.000 0.473 58 T N 1.488 115.935 114.554 -0.178 0.000 2.684 58 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 58 T C 1.956 176.570 174.700 -0.142 0.000 1.036 58 T CA 1.676 63.652 62.100 -0.207 0.000 1.148 58 T CB -0.986 67.688 68.868 -0.323 0.000 0.863 58 T HN 0.542 nan 8.240 nan 0.000 0.436 59 C N 1.209 120.395 119.300 -0.190 0.000 2.403 59 C HA -0.041 4.419 4.460 -0.000 0.000 0.282 59 C C 2.596 177.596 174.990 0.018 0.000 1.297 59 C CA 0.573 59.567 59.018 -0.041 0.000 1.785 59 C CB -1.151 26.560 27.740 -0.047 0.000 1.963 59 C HN 0.503 nan 8.230 nan 0.000 0.507 60 R N 0.241 120.603 120.500 -0.230 0.000 2.310 60 R HA 0.043 4.383 4.340 -0.000 0.000 0.202 60 R C 0.770 176.999 176.300 -0.118 0.000 0.933 60 R CA 0.118 55.971 56.100 -0.412 0.000 1.054 60 R CB 0.049 29.988 30.300 -0.601 0.000 0.985 60 R HN 0.368 nan 8.270 nan 0.000 0.489 61 S N 1.052 116.720 115.700 -0.053 0.000 2.448 61 S HA 0.266 4.736 4.470 -0.000 0.000 0.320 61 S C -1.989 172.628 174.600 0.027 0.000 1.071 61 S CA -2.001 56.186 58.200 -0.022 0.000 1.113 61 S CB 1.283 64.452 63.200 -0.053 0.000 0.972 61 S HN -0.143 nan 8.310 nan 0.000 0.465 62 P HA -0.097 nan 4.420 nan 0.000 0.216 62 P C 1.310 178.638 177.300 0.046 0.000 1.150 62 P CA 0.971 64.117 63.100 0.076 0.000 0.837 62 P CB 0.191 31.941 31.700 0.083 0.000 0.786 63 E N -0.496 119.716 120.200 0.020 0.000 2.110 63 E HA -0.135 4.214 4.350 -0.000 0.000 0.193 63 E C 2.046 178.632 176.600 -0.024 0.000 0.988 63 E CA 1.401 57.802 56.400 0.001 0.000 0.804 63 E CB -0.731 28.963 29.700 -0.010 0.000 0.745 63 E HN 0.168 nan 8.360 nan 0.000 0.458 64 A N 0.899 123.692 122.820 -0.044 0.000 1.898 64 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 64 A C 2.616 180.148 177.584 -0.087 0.000 1.181 64 A CA 1.338 53.316 52.037 -0.098 0.000 0.620 64 A CB -0.877 18.044 19.000 -0.133 0.000 0.819 64 A HN 0.327 nan 8.150 nan 0.000 0.442 65 C N -1.669 117.637 119.300 0.010 0.000 2.429 65 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 65 C C 2.985 178.032 174.990 0.095 0.000 1.262 65 C CA 0.720 59.812 59.018 0.123 0.000 1.733 65 C CB -1.678 26.178 27.740 0.194 0.000 2.010 65 C HN 0.788 nan 8.230 nan 0.000 0.483 66 C N 1.141 120.475 119.300 0.056 0.000 2.432 66 C HA -0.127 4.333 4.460 -0.000 0.000 0.277 66 C C 2.782 177.781 174.990 0.015 0.000 1.249 66 C CA 2.045 61.090 59.018 0.045 0.000 1.725 66 C CB -1.361 26.401 27.740 0.036 0.000 2.028 66 C HN 0.673 nan 8.230 nan 0.000 0.477 67 E N 0.686 120.872 120.200 -0.024 0.000 2.058 67 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 67 E C 1.988 178.548 176.600 -0.066 0.000 0.997 67 E CA 1.865 58.233 56.400 -0.053 0.000 0.801 67 E CB -0.627 29.021 29.700 -0.087 0.000 0.746 67 E HN 0.728 nan 8.360 nan 0.000 0.450 68 L N -0.089 121.063 121.223 -0.117 0.000 2.141 68 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 68 L C 2.461 179.359 176.870 0.047 0.000 1.094 68 L CA 1.559 56.316 54.840 -0.139 0.000 0.763 68 L CB -0.627 41.150 42.059 -0.470 0.000 0.908 68 L HN 0.197 nan 8.230 nan 0.000 0.437 69 T N 0.350 114.963 114.554 0.098 0.000 2.746 69 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 69 T C 1.927 176.680 174.700 0.088 0.000 1.039 69 T CA 1.226 63.410 62.100 0.139 0.000 1.142 69 T CB -0.174 68.771 68.868 0.129 0.000 0.866 69 T HN 0.219 nan 8.240 nan 0.000 0.444 70 L N 0.534 121.785 121.223 0.047 0.000 2.240 70 L HA -0.018 4.322 4.340 -0.000 0.000 0.211 70 L C 2.824 179.706 176.870 0.019 0.000 1.106 70 L CA 0.849 55.706 54.840 0.028 0.000 0.793 70 L CB -0.603 41.461 42.059 0.008 0.000 0.927 70 L HN 0.289 nan 8.230 nan 0.000 0.446 71 Q N 0.386 120.194 119.800 0.013 0.000 2.045 71 Q HA -0.207 4.132 4.340 -0.000 0.000 0.206 71 Q C -0.474 175.513 176.000 -0.022 0.000 0.991 71 Q CA 2.088 57.881 55.803 -0.017 0.000 0.851 71 Q CB -1.038 27.690 28.738 -0.018 0.000 0.911 71 Q HN 0.442 nan 8.270 nan 0.000 0.418 72 P HA -0.148 nan 4.420 nan 0.000 0.218 72 P C 1.167 178.515 177.300 0.081 0.000 1.149 72 P CA 1.024 64.199 63.100 0.124 0.000 0.817 72 P CB -0.035 31.870 31.700 0.342 0.000 0.785 73 L N -0.206 121.067 121.223 0.083 0.000 2.265 73 L HA -0.067 4.273 4.340 -0.000 0.000 0.215 73 L C 2.535 179.403 176.870 -0.005 0.000 1.117 73 L CA 1.572 56.452 54.840 0.068 0.000 0.782 73 L CB -1.170 40.924 42.059 0.058 0.000 0.914 73 L HN 0.061 nan 8.230 nan 0.000 0.441 74 R N -0.870 119.594 120.500 -0.061 0.000 2.153 74 R HA -0.037 4.303 4.340 -0.000 0.000 0.218 74 R C 2.188 178.381 176.300 -0.178 0.000 1.072 74 R CA 0.442 56.486 56.100 -0.093 0.000 0.990 74 R CB 0.008 30.256 30.300 -0.087 0.000 0.889 74 R HN 0.362 nan 8.270 nan 0.000 0.452 75 R N -0.268 120.018 120.500 -0.357 0.000 2.112 75 R HA 0.127 4.467 4.340 -0.000 0.000 0.216 75 R C 0.061 176.010 176.300 -0.585 0.000 1.080 75 R CA 0.782 56.465 56.100 -0.696 0.000 0.996 75 R CB 0.372 29.795 30.300 -1.463 0.000 0.902 75 R HN 0.055 nan 8.270 nan 0.000 0.449 76 F N 0.463 120.452 119.950 0.065 0.000 2.578 76 F HA 0.341 4.868 4.527 -0.000 0.000 0.311 76 F C -2.071 173.774 175.800 0.076 0.000 1.094 76 F CA -2.714 55.329 58.000 0.071 0.000 0.923 76 F CB 2.011 41.062 39.000 0.086 0.000 1.230 76 F HN -0.218 nan 8.300 nan 0.000 0.450 77 P HA 0.180 nan 4.420 nan 0.000 0.220 77 P C -0.544 176.923 177.300 0.279 0.000 1.806 77 P CA 0.194 63.429 63.100 0.224 0.000 0.976 77 P CB -0.104 31.714 31.700 0.197 0.000 1.952 78 L N 0.997 122.367 121.223 0.245 0.000 2.452 78 L HA 0.131 4.471 4.340 -0.000 0.000 0.267 78 L C 1.578 178.567 176.870 0.198 0.000 1.188 78 L CA 0.231 55.203 54.840 0.219 0.000 0.821 78 L CB 0.387 42.578 42.059 0.221 0.000 1.102 78 L HN 0.056 nan 8.230 nan 0.000 0.470 79 D N 1.360 121.888 120.400 0.213 0.000 2.339 79 D HA 0.234 4.874 4.640 -0.000 0.000 0.217 79 D C 0.138 176.427 176.300 -0.017 0.000 1.050 79 D CA 0.380 54.489 54.000 0.182 0.000 0.856 79 D CB 0.750 41.734 40.800 0.308 0.000 0.922 79 D HN 0.541 nan 8.370 nan 0.000 0.518 80 A N 0.134 122.860 122.820 -0.157 0.000 2.606 80 A HA 0.711 5.031 4.320 -0.000 0.000 0.293 80 A C -1.398 176.005 177.584 -0.301 0.000 1.082 80 A CA -0.570 51.191 52.037 -0.460 0.000 0.685 80 A CB 1.657 19.881 19.000 -1.292 0.000 1.284 80 A HN 0.025 nan 8.150 nan 0.000 0.408 81 A N 0.422 123.060 122.820 -0.304 0.000 2.340 81 A HA 0.807 5.127 4.320 -0.000 0.000 0.331 81 A C -0.650 176.766 177.584 -0.280 0.000 1.140 81 A CA -0.434 51.499 52.037 -0.172 0.000 0.801 81 A CB 0.755 19.706 19.000 -0.082 0.000 1.234 81 A HN 1.603 nan 8.150 nan 0.000 0.469 82 I N 2.019 122.498 120.570 -0.152 0.000 2.465 82 I HA 0.483 4.653 4.170 -0.000 0.000 0.291 82 I C -0.723 175.443 176.117 0.082 0.000 1.014 82 I CA -1.160 60.066 61.300 -0.122 0.000 1.093 82 I CB 1.188 39.079 38.000 -0.182 0.000 1.267 82 I HN 0.693 nan 8.210 nan 0.000 0.431 83 I N 7.540 128.198 120.570 0.147 0.000 2.775 83 I HA 0.001 4.171 4.170 -0.000 0.000 0.290 83 I C -0.644 175.673 176.117 0.333 0.000 1.203 83 I CA 0.530 61.958 61.300 0.213 0.000 1.433 83 I CB 0.240 38.342 38.000 0.170 0.000 1.354 83 I HN 0.463 nan 8.210 nan 0.000 0.579 84 F N 7.853 127.919 119.950 0.194 0.000 2.506 84 F HA 0.442 4.969 4.527 -0.000 0.000 0.371 84 F C 0.506 176.445 175.800 0.231 0.000 1.078 84 F CA 0.911 59.040 58.000 0.215 0.000 1.195 84 F CB 0.338 39.425 39.000 0.145 0.000 1.099 84 F HN 0.612 nan 8.300 nan 0.000 0.548 85 S N 3.515 118.871 115.700 -0.573 0.000 2.862 85 S HA 0.382 4.852 4.470 -0.000 0.000 0.300 85 S C -2.167 172.285 174.600 -0.248 0.000 1.240 85 S CA -0.632 57.351 58.200 -0.361 0.000 1.025 85 S CB 0.851 63.995 63.200 -0.094 0.000 1.340 85 S HN 0.737 nan 8.310 nan 0.000 0.544 86 D N -0.325 120.105 120.400 0.050 0.000 2.736 86 D HA 0.433 5.073 4.640 -0.000 0.000 0.223 86 D C 1.172 177.587 176.300 0.191 0.000 1.231 86 D CA -0.157 53.961 54.000 0.197 0.000 0.818 86 D CB 1.071 42.025 40.800 0.257 0.000 1.587 86 D HN 0.541 nan 8.370 nan 0.000 0.463 87 I N 0.644 121.350 120.570 0.226 0.000 2.567 87 I HA -0.083 4.087 4.170 -0.000 0.000 0.257 87 I C 0.994 177.157 176.117 0.077 0.000 1.184 87 I CA 1.009 62.403 61.300 0.157 0.000 1.451 87 I CB -0.261 37.839 38.000 0.167 0.000 1.089 87 I HN 0.390 nan 8.210 nan 0.000 0.441 88 L N 1.519 122.794 121.223 0.087 0.000 2.610 88 L HA -0.028 4.312 4.340 -0.000 0.000 0.232 88 L C 2.611 179.561 176.870 0.133 0.000 1.149 88 L CA 0.455 55.358 54.840 0.105 0.000 0.872 88 L CB -0.413 41.687 42.059 0.069 0.000 0.992 88 L HN 0.387 nan 8.230 nan 0.000 0.447 89 V N -4.136 115.869 119.914 0.151 0.000 2.594 89 V HA -0.183 3.937 4.120 -0.000 0.000 0.253 89 V C 2.189 178.225 176.094 -0.097 0.000 1.069 89 V CA 1.328 63.671 62.300 0.072 0.000 1.082 89 V CB -0.680 31.175 31.823 0.054 0.000 0.680 89 V HN 0.182 nan 8.190 nan 0.000 0.469 90 V N 1.005 120.839 119.914 -0.134 0.000 2.244 90 V HA -0.054 4.066 4.120 -0.000 0.000 0.244 90 V C 0.523 176.563 176.094 -0.089 0.000 1.042 90 V CA 2.643 64.831 62.300 -0.186 0.000 1.006 90 V CB -1.761 29.981 31.823 -0.135 0.000 0.641 90 V HN 0.508 nan 8.190 nan 0.000 0.446 91 P HA -0.177 nan 4.420 nan 0.000 0.220 91 P C 1.655 178.964 177.300 0.014 0.000 1.148 91 P CA 1.366 64.448 63.100 -0.030 0.000 0.803 91 P CB -0.020 31.666 31.700 -0.023 0.000 0.782 92 Q N 0.006 119.829 119.800 0.040 0.000 2.050 92 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 92 Q C 2.063 178.041 176.000 -0.037 0.000 0.980 92 Q CA 1.954 57.747 55.803 -0.016 0.000 0.840 92 Q CB -0.654 28.011 28.738 -0.121 0.000 0.898 92 Q HN 0.110 nan 8.270 nan 0.000 0.424 93 A N 0.365 123.149 122.820 -0.060 0.000 2.019 93 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 93 A C 1.889 179.436 177.584 -0.062 0.000 1.164 93 A CA 0.886 52.880 52.037 -0.072 0.000 0.644 93 A CB -0.461 18.449 19.000 -0.150 0.000 0.805 93 A HN 0.459 nan 8.150 nan 0.000 0.449 94 L N -1.713 119.473 121.223 -0.062 0.000 2.552 94 L HA 0.132 4.472 4.340 -0.000 0.000 0.227 94 L C 1.672 178.517 176.870 -0.042 0.000 1.146 94 L CA 0.726 55.535 54.840 -0.053 0.000 0.858 94 L CB 0.041 42.061 42.059 -0.066 0.000 0.969 94 L HN 0.598 nan 8.230 nan 0.000 0.451 95 G N -1.081 107.698 108.800 -0.035 0.000 2.183 95 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.168 95 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.168 95 G C 0.221 175.112 174.900 -0.016 0.000 1.008 95 G CA -0.553 44.533 45.100 -0.024 0.000 0.677 95 G HN 0.102 nan 8.290 nan 0.000 0.498 96 M N 1.454 121.049 119.600 -0.009 0.000 2.211 96 M HA 0.356 4.836 4.480 -0.000 0.000 0.356 96 M C 0.021 176.393 176.300 0.120 0.000 1.216 96 M CA -0.108 55.220 55.300 0.047 0.000 1.134 96 M CB 0.768 33.336 32.600 -0.053 0.000 1.564 96 M HN -0.005 nan 8.290 nan 0.000 0.463 97 E N 2.874 123.146 120.200 0.119 0.000 2.229 97 E HA 0.414 4.764 4.350 -0.000 0.000 0.283 97 E C -0.926 175.665 176.600 -0.015 0.000 1.030 97 E CA -0.204 56.212 56.400 0.027 0.000 0.836 97 E CB 1.330 31.035 29.700 0.008 0.000 1.068 97 E HN 0.377 nan 8.360 nan 0.000 0.401 98 V N 1.137 120.889 119.914 -0.271 0.000 2.960 98 V HA 0.667 4.787 4.120 -0.000 0.000 0.315 98 V C 0.218 176.073 176.094 -0.398 0.000 1.087 98 V CA -1.017 60.929 62.300 -0.590 0.000 0.982 98 V CB 1.946 33.158 31.823 -1.018 0.000 1.039 98 V HN 0.808 nan 8.190 nan 0.000 0.437 99 T N -0.091 114.291 114.554 -0.286 0.000 2.903 99 T HA 0.728 5.078 4.350 -0.000 0.000 0.299 99 T C -0.692 174.065 174.700 0.095 0.000 1.093 99 T CA -0.601 61.479 62.100 -0.033 0.000 1.002 99 T CB 1.985 70.834 68.868 -0.031 0.000 1.127 99 T HN 0.593 nan 8.240 nan 0.000 0.488 100 M N 3.594 123.313 119.600 0.197 0.000 3.101 100 M HA 0.328 4.808 4.480 -0.000 0.000 0.307 100 M C -0.372 175.930 176.300 0.003 0.000 1.315 100 M CA -0.797 54.510 55.300 0.013 0.000 0.734 100 M CB -0.059 32.386 32.600 -0.259 0.000 1.392 100 M HN 0.682 nan 8.290 nan 0.000 0.496 101 V N 1.134 121.056 119.914 0.014 0.000 2.479 101 V HA 0.186 4.306 4.120 -0.000 0.000 0.284 101 V C -2.195 173.899 176.094 -0.000 0.000 0.981 101 V CA -1.363 60.945 62.300 0.014 0.000 1.139 101 V CB -1.320 30.508 31.823 0.008 0.000 0.947 101 V HN 0.430 nan 8.190 nan 0.000 0.468 102 P HA 0.176 nan 4.420 nan 0.000 0.261 102 P C 1.214 178.517 177.300 0.005 0.000 1.165 102 P CA 1.967 65.075 63.100 0.012 0.000 0.759 102 P CB 0.483 32.200 31.700 0.028 0.000 0.772 103 G N 2.905 111.705 108.800 0.000 0.000 2.225 103 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.254 103 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.254 103 G C 0.975 175.871 174.900 -0.006 0.000 0.988 103 G CA 0.574 45.674 45.100 -0.000 0.000 0.625 103 G HN 0.507 nan 8.290 nan 0.000 0.527 104 K N -0.047 120.346 120.400 -0.012 0.000 2.365 104 K HA 0.540 4.860 4.320 -0.000 0.000 0.195 104 K C 1.422 178.012 176.600 -0.016 0.000 1.079 104 K CA 1.198 57.479 56.287 -0.010 0.000 0.979 104 K CB 0.664 33.160 32.500 -0.007 0.000 0.929 104 K HN 1.678 nan 8.250 nan 0.000 0.523 105 G N 1.690 110.465 108.800 -0.041 0.000 2.728 105 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.294 105 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.294 105 G C -2.749 172.111 174.900 -0.067 0.000 1.342 105 G CA -0.811 44.255 45.100 -0.057 0.000 0.866 105 G HN -0.028 nan 8.290 nan 0.000 0.534 106 P HA 0.483 nan 4.420 nan 0.000 0.271 106 P C -0.389 176.866 177.300 -0.075 0.000 1.218 106 P CA 0.266 63.308 63.100 -0.097 0.000 0.780 106 P CB 1.688 33.312 31.700 -0.127 0.000 0.901 107 S N 1.731 117.321 115.700 -0.184 0.000 2.572 107 S HA 0.612 5.082 4.470 -0.000 0.000 0.274 107 S C -1.609 172.799 174.600 -0.320 0.000 1.150 107 S CA -0.603 57.513 58.200 -0.139 0.000 0.944 107 S CB 0.250 63.423 63.200 -0.046 0.000 1.071 107 S HN 0.142 nan 8.310 nan 0.000 0.479 108 F N 5.380 125.330 119.950 0.000 0.000 2.334 108 F HA 0.402 4.928 4.527 -0.000 0.000 0.367 108 F C -1.264 174.524 175.800 -0.020 0.000 1.115 108 F CA -1.873 56.110 58.000 -0.028 0.000 1.116 108 F CB 1.624 40.602 39.000 -0.037 0.000 1.230 108 F HN 0.443 nan 8.300 nan 0.000 0.484 109 P HA -0.122 nan 4.420 nan 0.000 0.226 109 P C -0.280 177.064 177.300 0.073 0.000 1.153 109 P CA 1.099 64.240 63.100 0.068 0.000 0.777 109 P CB 0.298 32.018 31.700 0.034 0.000 0.794 110 E N 0.951 121.208 120.200 0.095 0.000 2.916 110 E HA 0.257 4.607 4.350 -0.000 0.000 0.217 110 E C -2.332 174.291 176.600 0.038 0.000 1.100 110 E CA -2.018 54.417 56.400 0.058 0.000 0.891 110 E CB 0.390 30.114 29.700 0.041 0.000 1.311 110 E HN 0.323 nan 8.360 nan 0.000 0.421 111 P HA 0.059 nan 4.420 nan 0.000 0.272 111 P C -0.202 177.050 177.300 -0.080 0.000 1.240 111 P CA -0.387 62.678 63.100 -0.059 0.000 0.791 111 P CB 1.006 32.683 31.700 -0.038 0.000 0.978 112 L N 2.539 123.661 121.223 -0.169 0.000 2.410 112 L HA 0.142 4.482 4.340 -0.000 0.000 0.273 112 L C 1.687 178.563 176.870 0.010 0.000 1.144 112 L CA 0.084 54.860 54.840 -0.106 0.000 0.863 112 L CB 0.125 42.023 42.059 -0.268 0.000 1.140 112 L HN 0.371 nan 8.230 nan 0.000 0.463 113 R N 1.614 122.240 120.500 0.210 0.000 2.576 113 R HA 0.170 4.510 4.340 -0.000 0.000 0.237 113 R C 0.064 176.623 176.300 0.432 0.000 0.917 113 R CA 0.225 56.531 56.100 0.343 0.000 1.002 113 R CB 0.805 31.206 30.300 0.169 0.000 1.428 113 R HN 0.791 nan 8.270 nan 0.000 0.603 114 E N -0.567 119.828 120.200 0.325 0.000 2.410 114 E HA 0.235 4.585 4.350 -0.000 0.000 0.269 114 E C -0.093 176.561 176.600 0.092 0.000 0.937 114 E CA -0.643 55.815 56.400 0.096 0.000 0.793 114 E CB 1.473 31.182 29.700 0.015 0.000 1.314 114 E HN -0.139 nan 8.360 nan 0.000 0.447 115 E N 0.368 120.490 120.200 -0.131 0.000 2.153 115 E HA -0.273 4.076 4.350 -0.000 0.000 0.194 115 E C 1.893 178.520 176.600 0.045 0.000 0.988 115 E CA 1.400 57.752 56.400 -0.079 0.000 0.811 115 E CB 0.122 29.728 29.700 -0.157 0.000 0.746 115 E HN 0.615 nan 8.360 nan 0.000 0.466 116 Q N 0.161 119.977 119.800 0.027 0.000 2.226 116 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 116 Q C 1.112 177.147 176.000 0.057 0.000 0.975 116 Q CA 1.509 57.333 55.803 0.035 0.000 0.866 116 Q CB 0.122 28.872 28.738 0.020 0.000 0.915 116 Q HN 0.301 nan 8.270 nan 0.000 0.440 117 D N 0.379 120.835 120.400 0.092 0.000 2.310 117 D HA -0.121 4.519 4.640 -0.000 0.000 0.212 117 D C 1.712 178.052 176.300 0.067 0.000 0.965 117 D CA 0.614 54.662 54.000 0.080 0.000 0.879 117 D CB -0.025 40.836 40.800 0.100 0.000 0.921 117 D HN 0.367 nan 8.370 nan 0.000 0.510 118 L N 0.661 121.944 121.223 0.099 0.000 2.191 118 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 118 L C 2.073 178.967 176.870 0.039 0.000 1.103 118 L CA 0.964 55.848 54.840 0.073 0.000 0.769 118 L CB -0.419 41.703 42.059 0.106 0.000 0.908 118 L HN 0.001 nan 8.230 nan 0.000 0.438 119 E N 0.419 120.641 120.200 0.037 0.000 2.265 119 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 119 E C 2.076 178.685 176.600 0.014 0.000 0.996 119 E CA 0.911 57.326 56.400 0.024 0.000 0.832 119 E CB -0.047 29.667 29.700 0.023 0.000 0.756 119 E HN 0.553 nan 8.360 nan 0.000 0.491 120 R N 0.614 121.120 120.500 0.010 0.000 2.275 120 R HA 0.047 4.386 4.340 -0.000 0.000 0.199 120 R C 0.529 176.824 176.300 -0.009 0.000 0.989 120 R CA 0.117 56.217 56.100 -0.000 0.000 1.016 120 R CB -0.205 30.093 30.300 -0.003 0.000 0.918 120 R HN -0.001 nan 8.270 nan 0.000 0.473 121 L N 2.148 123.364 121.223 -0.011 0.000 2.417 121 L HA 0.289 4.629 4.340 -0.000 0.000 0.268 121 L C 0.563 177.427 176.870 -0.010 0.000 1.158 121 L CA -0.803 54.025 54.840 -0.020 0.000 0.819 121 L CB 0.682 42.725 42.059 -0.028 0.000 1.112 121 L HN 0.129 nan 8.230 nan 0.000 0.458 122 R N 0.700 121.192 120.500 -0.013 0.000 2.738 122 R HA 0.011 4.351 4.340 -0.000 0.000 0.268 122 R C -0.181 176.120 176.300 0.002 0.000 1.062 122 R CA -0.599 55.498 56.100 -0.005 0.000 1.158 122 R CB 0.278 30.573 30.300 -0.009 0.000 1.046 122 R HN 0.533 nan 8.270 nan 0.000 0.493 123 D N 2.542 122.947 120.400 0.009 0.000 2.487 123 D HA -0.029 4.611 4.640 -0.000 0.000 0.243 123 D C -1.395 174.915 176.300 0.017 0.000 1.154 123 D CA -1.423 52.587 54.000 0.017 0.000 0.876 123 D CB 1.025 41.837 40.800 0.020 0.000 1.161 123 D HN 0.240 nan 8.370 nan 0.000 0.478 124 P HA -0.109 nan 4.420 nan 0.000 0.222 124 P C 0.668 177.989 177.300 0.036 0.000 1.147 124 P CA 0.848 63.962 63.100 0.025 0.000 0.790 124 P CB 0.256 31.977 31.700 0.036 0.000 0.780 125 E N -0.068 120.155 120.200 0.039 0.000 2.409 125 E HA -0.068 4.282 4.350 -0.000 0.000 0.198 125 E C 1.677 178.304 176.600 0.045 0.000 1.024 125 E CA 0.949 57.376 56.400 0.046 0.000 0.861 125 E CB -0.197 29.528 29.700 0.042 0.000 0.788 125 E HN 0.261 nan 8.360 nan 0.000 0.521 126 V N -3.227 116.707 119.914 0.033 0.000 3.660 126 V HA 0.053 4.173 4.120 -0.000 0.000 0.276 126 V C 1.851 177.957 176.094 0.020 0.000 1.317 126 V CA 0.087 62.405 62.300 0.030 0.000 1.097 126 V CB 0.299 32.134 31.823 0.021 0.000 0.863 126 V HN -0.034 nan 8.190 nan 0.000 0.438 127 V N 1.634 121.553 119.914 0.009 0.000 2.392 127 V HA -0.206 3.914 4.120 -0.000 0.000 0.249 127 V C 3.129 179.199 176.094 -0.040 0.000 1.059 127 V CA 2.497 64.776 62.300 -0.035 0.000 1.051 127 V CB -1.084 30.706 31.823 -0.056 0.000 0.658 127 V HN 0.681 nan 8.190 nan 0.000 0.455 128 A N 0.639 123.496 122.820 0.062 0.000 1.933 128 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 128 A C 2.552 180.207 177.584 0.119 0.000 1.175 128 A CA 2.241 54.386 52.037 0.180 0.000 0.628 128 A CB -0.742 18.458 19.000 0.333 0.000 0.814 128 A HN 0.702 nan 8.150 nan 0.000 0.444 129 S N -0.108 115.648 115.700 0.094 0.000 2.382 129 S HA -0.162 4.308 4.470 -0.000 0.000 0.228 129 S C 1.490 176.090 174.600 0.001 0.000 1.027 129 S CA 1.333 59.576 58.200 0.073 0.000 0.991 129 S CB -0.407 62.833 63.200 0.067 0.000 0.823 129 S HN 0.542 nan 8.310 nan 0.000 0.469 130 E N 1.304 121.483 120.200 -0.035 0.000 2.338 130 E HA 0.080 4.429 4.350 -0.000 0.000 0.197 130 E C 1.298 177.824 176.600 -0.123 0.000 1.007 130 E CA 0.578 56.952 56.400 -0.043 0.000 0.849 130 E CB -0.262 29.413 29.700 -0.043 0.000 0.774 130 E HN 0.612 nan 8.360 nan 0.000 0.506 131 L N -0.202 120.811 121.223 -0.350 0.000 2.872 131 L HA 0.247 4.587 4.340 -0.000 0.000 0.245 131 L C 1.904 178.173 176.870 -1.002 0.000 1.211 131 L CA -0.164 54.205 54.840 -0.784 0.000 1.013 131 L CB 0.338 41.868 42.059 -0.881 0.000 1.326 131 L HN 0.031 nan 8.230 nan 0.000 0.525 132 G N 0.954 109.454 108.800 -0.499 0.000 2.503 132 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.221 132 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.221 132 G C 1.364 176.157 174.900 -0.180 0.000 1.131 132 G CA 1.475 46.432 45.100 -0.239 0.000 0.756 132 G HN 0.619 nan 8.290 nan 0.000 0.572 133 Y N 0.347 120.569 120.300 -0.130 0.000 2.256 133 Y HA -0.035 4.515 4.550 -0.000 0.000 0.288 133 Y C 2.411 178.274 175.900 -0.060 0.000 1.155 133 Y CA 1.056 59.116 58.100 -0.066 0.000 1.203 133 Y CB -0.807 37.621 38.460 -0.053 0.000 0.980 133 Y HN 0.036 nan 8.280 nan 0.000 0.530 134 V N 0.586 120.142 119.914 -0.596 0.000 2.379 134 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 134 V C 2.250 178.321 176.094 -0.038 0.000 1.044 134 V CA 1.827 63.940 62.300 -0.311 0.000 1.036 134 V CB -0.958 30.632 31.823 -0.388 0.000 0.664 134 V HN 0.505 nan 8.190 nan 0.000 0.453 135 F N 0.161 120.091 119.950 -0.033 0.000 2.171 135 F HA -0.211 4.316 4.527 -0.000 0.000 0.300 135 F C 2.712 178.536 175.800 0.039 0.000 1.090 135 F CA 1.143 59.145 58.000 0.004 0.000 1.293 135 F CB -0.356 38.655 39.000 0.018 0.000 1.013 135 F HN 0.151 nan 8.300 nan 0.000 0.486 136 Q N 0.617 120.549 119.800 0.220 0.000 2.096 136 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 136 Q C 2.564 178.649 176.000 0.142 0.000 0.982 136 Q CA 1.460 57.364 55.803 0.168 0.000 0.850 136 Q CB -0.427 28.396 28.738 0.142 0.000 0.901 136 Q HN 0.462 nan 8.270 nan 0.000 0.422 137 A N 0.848 123.747 122.820 0.132 0.000 1.902 137 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 137 A C 2.039 179.684 177.584 0.102 0.000 1.181 137 A CA 1.138 53.245 52.037 0.116 0.000 0.623 137 A CB -0.597 18.480 19.000 0.128 0.000 0.818 137 A HN 0.300 nan 8.150 nan 0.000 0.443 138 I N -0.601 120.033 120.570 0.107 0.000 2.179 138 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 138 I C 2.618 178.758 176.117 0.039 0.000 1.088 138 I CA 1.764 63.103 61.300 0.064 0.000 1.357 138 I CB -0.609 37.433 38.000 0.069 0.000 1.051 138 I HN 0.251 nan 8.210 nan 0.000 0.409 139 T N 1.197 115.819 114.554 0.113 0.000 2.708 139 T HA -0.190 4.160 4.350 -0.000 0.000 0.266 139 T C 1.868 176.672 174.700 0.174 0.000 1.037 139 T CA 1.356 63.573 62.100 0.195 0.000 1.146 139 T CB -0.369 68.659 68.868 0.267 0.000 0.865 139 T HN 0.165 nan 8.240 nan 0.000 0.435 140 L N 1.100 122.400 121.223 0.129 0.000 2.012 140 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 140 L C 2.495 179.408 176.870 0.072 0.000 1.073 140 L CA 1.914 56.815 54.840 0.101 0.000 0.748 140 L CB -1.176 40.933 42.059 0.082 0.000 0.891 140 L HN 0.205 nan 8.230 nan 0.000 0.431 141 T N -1.032 113.551 114.554 0.049 0.000 2.821 141 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 141 T C 1.974 176.667 174.700 -0.012 0.000 1.046 141 T CA 1.381 63.495 62.100 0.024 0.000 1.139 141 T CB -0.229 68.655 68.868 0.028 0.000 0.871 141 T HN 0.223 nan 8.240 nan 0.000 0.454 142 R N 1.345 121.805 120.500 -0.067 0.000 2.081 142 R HA -0.041 4.299 4.340 -0.000 0.000 0.235 142 R C 2.481 178.764 176.300 -0.029 0.000 1.131 142 R CA 1.423 57.418 56.100 -0.175 0.000 0.960 142 R CB -0.478 29.490 30.300 -0.553 0.000 0.856 142 R HN 0.296 nan 8.270 nan 0.000 0.436 143 Q N 0.106 119.968 119.800 0.104 0.000 2.050 143 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 143 Q C 2.048 178.099 176.000 0.085 0.000 0.980 143 Q CA 1.384 57.286 55.803 0.165 0.000 0.840 143 Q CB -0.212 28.636 28.738 0.184 0.000 0.898 143 Q HN 0.333 nan 8.270 nan 0.000 0.424 144 R N 0.509 121.043 120.500 0.057 0.000 2.115 144 R HA 0.003 4.343 4.340 -0.000 0.000 0.230 144 R C 2.433 178.749 176.300 0.025 0.000 1.111 144 R CA 0.507 56.629 56.100 0.037 0.000 0.976 144 R CB -0.602 29.715 30.300 0.030 0.000 0.870 144 R HN 0.280 nan 8.270 nan 0.000 0.445 145 L N 0.622 121.854 121.223 0.016 0.000 2.191 145 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 145 L C 1.179 178.058 176.870 0.016 0.000 1.103 145 L CA 1.007 55.851 54.840 0.007 0.000 0.769 145 L CB -0.431 41.619 42.059 -0.014 0.000 0.908 145 L HN 0.249 nan 8.230 nan 0.000 0.438 146 A N -0.122 122.716 122.820 0.029 0.000 2.822 146 A HA -0.158 4.162 4.320 -0.000 0.000 0.287 146 A C 1.340 178.946 177.584 0.036 0.000 1.479 146 A CA 0.856 52.918 52.037 0.042 0.000 0.779 146 A CB -2.064 16.957 19.000 0.035 0.000 1.022 146 A HN 1.017 nan 8.150 nan 0.000 0.532 147 G N -1.683 107.134 108.800 0.027 0.000 2.159 147 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.256 147 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.256 147 G C 0.840 175.755 174.900 0.024 0.000 0.977 147 G CA 1.380 46.497 45.100 0.027 0.000 0.652 147 G HN 1.443 nan 8.290 nan 0.000 0.531 148 R N 0.187 120.698 120.500 0.019 0.000 2.080 148 R HA 0.162 4.502 4.340 -0.000 0.000 0.236 148 R C 1.327 177.644 176.300 0.028 0.000 1.137 148 R CA 2.467 58.581 56.100 0.023 0.000 0.943 148 R CB -0.180 30.132 30.300 0.020 0.000 0.846 148 R HN 1.132 nan 8.270 nan 0.000 0.431 149 V N -3.925 115.995 119.914 0.010 0.000 3.188 149 V HA 0.574 4.694 4.120 -0.000 0.000 0.305 149 V C -2.877 173.194 176.094 -0.038 0.000 1.232 149 V CA -2.767 59.533 62.300 0.001 0.000 1.043 149 V CB 1.829 33.645 31.823 -0.013 0.000 1.068 149 V HN -0.017 nan 8.190 nan 0.000 0.439 150 P HA 0.459 nan 4.420 nan 0.000 0.274 150 P C -1.072 176.122 177.300 -0.177 0.000 1.237 150 P CA -0.219 62.840 63.100 -0.069 0.000 0.793 150 P CB 0.673 32.390 31.700 0.028 0.000 0.977 151 L N 2.837 123.967 121.223 -0.155 0.000 2.287 151 L HA 0.442 4.782 4.340 -0.000 0.000 0.287 151 L C -0.757 176.005 176.870 -0.180 0.000 1.022 151 L CA -0.427 54.307 54.840 -0.176 0.000 0.814 151 L CB 0.262 42.239 42.059 -0.137 0.000 1.217 151 L HN 0.203 nan 8.230 nan 0.000 0.420 152 I N 4.971 125.387 120.570 -0.256 0.000 2.342 152 I HA 0.473 4.643 4.170 -0.000 0.000 0.291 152 I C 0.997 177.100 176.117 -0.023 0.000 1.010 152 I CA -0.184 60.999 61.300 -0.196 0.000 1.308 152 I CB 1.237 38.978 38.000 -0.431 0.000 1.400 152 I HN 0.749 nan 8.210 nan 0.000 0.488 153 G N 5.296 114.115 108.800 0.032 0.000 2.502 153 G HA2 0.727 4.686 3.960 -0.000 0.000 0.305 153 G HA3 0.727 4.686 3.960 -0.000 0.000 0.305 153 G C -1.022 174.025 174.900 0.246 0.000 1.190 153 G CA -0.326 44.826 45.100 0.085 0.000 0.933 153 G HN 0.638 nan 8.290 nan 0.000 0.503 154 F N -1.928 118.045 119.950 0.039 0.000 2.741 154 F HA 0.835 5.362 4.527 -0.000 0.000 0.311 154 F C -0.556 175.351 175.800 0.178 0.000 1.149 154 F CA -1.004 57.106 58.000 0.184 0.000 0.930 154 F CB 1.207 40.446 39.000 0.398 0.000 1.312 154 F HN 1.006 nan 8.300 nan 0.000 0.450 155 A N 0.596 123.628 122.820 0.353 0.000 2.599 155 A HA 0.790 5.110 4.320 -0.000 0.000 0.290 155 A C -0.701 177.186 177.584 0.506 0.000 1.101 155 A CA -0.543 51.662 52.037 0.281 0.000 0.674 155 A CB 0.838 19.996 19.000 0.264 0.000 1.277 155 A HN 1.826 nan 8.150 nan 0.000 0.419 156 G N -0.180 108.845 108.800 0.375 0.000 2.467 156 G HA2 0.651 4.610 3.960 -0.000 0.000 0.257 156 G HA3 0.651 4.610 3.960 -0.000 0.000 0.257 156 G C 0.358 175.440 174.900 0.302 0.000 1.227 156 G CA 0.418 45.732 45.100 0.357 0.000 0.835 156 G HN 1.712 nan 8.290 nan 0.000 0.556 157 A N 3.180 126.181 122.820 0.301 0.000 2.351 157 A HA 0.576 4.896 4.320 -0.000 0.000 0.257 157 A C -0.853 176.857 177.584 0.211 0.000 1.087 157 A CA -1.022 51.171 52.037 0.259 0.000 0.798 157 A CB 0.690 19.849 19.000 0.264 0.000 1.033 157 A HN 0.452 nan 8.150 nan 0.000 0.488 158 P HA -0.203 nan 4.420 nan 0.000 0.216 158 P C 1.548 178.925 177.300 0.127 0.000 1.157 158 P CA 1.786 64.958 63.100 0.121 0.000 0.880 158 P CB -0.167 31.587 31.700 0.090 0.000 0.791 159 W N 0.094 121.411 121.300 0.030 0.000 2.358 159 W HA -0.160 4.500 4.660 -0.000 0.000 0.303 159 W C 1.426 177.983 176.519 0.064 0.000 1.208 159 W CA 1.772 59.127 57.345 0.017 0.000 1.274 159 W CB -1.101 28.383 29.460 0.040 0.000 1.138 159 W HN -0.069 nan 8.180 nan 0.000 0.515 160 T N 2.468 116.970 114.554 -0.086 0.000 2.746 160 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 160 T C 1.992 176.651 174.700 -0.068 0.000 1.039 160 T CA 1.985 63.981 62.100 -0.173 0.000 1.142 160 T CB -0.606 68.299 68.868 0.062 0.000 0.866 160 T HN 0.144 nan 8.240 nan 0.000 0.444 161 L N 0.558 121.796 121.223 0.026 0.000 2.046 161 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 161 L C 2.665 179.473 176.870 -0.102 0.000 1.077 161 L CA 1.354 56.225 54.840 0.052 0.000 0.747 161 L CB -0.589 41.494 42.059 0.039 0.000 0.896 161 L HN 0.335 nan 8.230 nan 0.000 0.432 162 M N 0.202 119.665 119.600 -0.229 0.000 2.108 162 M HA -0.236 4.244 4.480 -0.000 0.000 0.261 162 M C 2.440 178.427 176.300 -0.521 0.000 1.066 162 M CA 2.516 57.594 55.300 -0.370 0.000 1.107 162 M CB -0.297 32.115 32.600 -0.312 0.000 1.356 162 M HN 0.426 nan 8.290 nan 0.000 0.406 163 T N -1.561 112.570 114.554 -0.705 0.000 2.720 163 T HA -0.224 4.125 4.350 -0.000 0.000 0.268 163 T C 1.535 175.971 174.700 -0.441 0.000 1.037 163 T CA 1.744 63.415 62.100 -0.714 0.000 1.144 163 T CB -1.243 67.132 68.868 -0.822 0.000 0.864 163 T HN 0.596 nan 8.240 nan 0.000 0.444 164 Y N 1.332 121.519 120.300 -0.189 0.000 2.224 164 Y HA 0.102 4.652 4.550 -0.000 0.000 0.289 164 Y C 2.821 178.604 175.900 -0.195 0.000 1.146 164 Y CA 1.254 59.341 58.100 -0.021 0.000 1.182 164 Y CB -0.489 38.083 38.460 0.185 0.000 0.983 164 Y HN 0.172 nan 8.280 nan 0.000 0.524 165 M N -1.440 117.986 119.600 -0.290 0.000 2.254 165 M HA -0.164 4.316 4.480 -0.000 0.000 0.265 165 M C 1.815 177.825 176.300 -0.484 0.000 1.066 165 M CA 1.033 55.962 55.300 -0.617 0.000 1.123 165 M CB -0.222 32.042 32.600 -0.560 0.000 1.388 165 M HN 0.084 nan 8.290 nan 0.000 0.425 166 V N -0.542 119.096 119.914 -0.460 0.000 2.426 166 V HA -0.084 4.036 4.120 -0.000 0.000 0.242 166 V C 2.235 178.168 176.094 -0.267 0.000 1.036 166 V CA 1.229 63.248 62.300 -0.469 0.000 1.044 166 V CB -0.386 30.990 31.823 -0.744 0.000 0.688 166 V HN 0.317 nan 8.190 nan 0.000 0.462 167 E N 0.445 120.502 120.200 -0.239 0.000 2.152 167 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 167 E C 1.938 178.515 176.600 -0.038 0.000 0.983 167 E CA 1.109 57.421 56.400 -0.148 0.000 0.818 167 E CB -0.256 29.319 29.700 -0.208 0.000 0.758 167 E HN 0.653 nan 8.360 nan 0.000 0.467 168 G N 0.192 109.021 108.800 0.047 0.000 2.157 168 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.239 168 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.239 168 G C 0.540 175.606 174.900 0.278 0.000 0.982 168 G CA 0.563 45.793 45.100 0.217 0.000 0.650 168 G HN 0.757 nan 8.290 nan 0.000 0.527 169 G N -1.755 107.191 108.800 0.243 0.000 2.333 169 G HA2 0.627 4.587 3.960 -0.000 0.000 0.288 169 G HA3 0.627 4.587 3.960 -0.000 0.000 0.288 169 G C 0.366 175.308 174.900 0.071 0.000 1.286 169 G CA 0.661 45.911 45.100 0.249 0.000 0.865 169 G HN 1.746 nan 8.290 nan 0.000 0.506 170 G N -0.786 108.062 108.800 0.079 0.000 2.594 170 G HA2 0.577 4.537 3.960 -0.000 0.000 0.243 170 G HA3 0.577 4.537 3.960 -0.000 0.000 0.243 170 G C 0.202 175.028 174.900 -0.123 0.000 1.229 170 G CA 1.209 46.276 45.100 -0.054 0.000 0.843 170 G HN 1.727 nan 8.290 nan 0.000 0.578 171 S N -1.619 113.955 115.700 -0.210 0.000 2.537 171 S HA 0.420 4.890 4.470 -0.000 0.000 0.271 171 S C 0.904 175.423 174.600 -0.135 0.000 1.148 171 S CA 0.275 58.374 58.200 -0.170 0.000 0.868 171 S CB 1.319 64.379 63.200 -0.233 0.000 1.115 171 S HN 1.312 nan 8.310 nan 0.000 0.461 172 S N 1.603 117.285 115.700 -0.031 0.000 2.527 172 S HA 0.049 4.519 4.470 -0.000 0.000 0.222 172 S C 1.249 175.930 174.600 0.135 0.000 0.985 172 S CA 1.193 59.435 58.200 0.070 0.000 0.921 172 S CB -0.483 62.751 63.200 0.057 0.000 0.772 172 S HN 1.070 nan 8.310 nan 0.000 0.529 173 T N -2.936 111.627 114.554 0.015 0.000 2.966 173 T HA 0.314 4.664 4.350 -0.000 0.000 0.254 173 T C 0.670 175.330 174.700 -0.068 0.000 0.961 173 T CA 0.103 62.241 62.100 0.063 0.000 0.915 173 T CB -0.094 68.800 68.868 0.044 0.000 1.186 173 T HN 0.147 nan 8.240 nan 0.000 0.505 174 M N 0.899 120.333 119.600 -0.277 0.000 2.503 174 M HA -0.218 4.262 4.480 -0.000 0.000 0.199 174 M C 1.384 177.651 176.300 -0.055 0.000 0.466 174 M CA 0.735 55.875 55.300 -0.267 0.000 0.510 174 M CB -2.583 29.804 32.600 -0.354 0.000 1.858 174 M HN 0.616 nan 8.290 nan 0.000 0.799 175 A N -0.433 122.373 122.820 -0.022 0.000 1.933 175 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 175 A C 2.076 179.696 177.584 0.059 0.000 1.175 175 A CA 1.647 53.708 52.037 0.040 0.000 0.628 175 A CB -0.140 18.878 19.000 0.030 0.000 0.814 175 A HN 0.660 nan 8.150 nan 0.000 0.444 176 Q N -0.625 119.186 119.800 0.019 0.000 2.083 176 Q HA -0.026 4.314 4.340 -0.000 0.000 0.198 176 Q C 2.453 178.501 176.000 0.081 0.000 0.969 176 Q CA 1.499 57.338 55.803 0.059 0.000 0.838 176 Q CB -0.683 28.063 28.738 0.012 0.000 0.900 176 Q HN 0.642 nan 8.270 nan 0.000 0.436 177 A N 1.551 124.350 122.820 -0.035 0.000 1.898 177 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 177 A C 2.075 179.782 177.584 0.206 0.000 1.181 177 A CA 1.478 53.486 52.037 -0.049 0.000 0.620 177 A CB -0.290 18.553 19.000 -0.262 0.000 0.819 177 A HN 0.245 nan 8.150 nan 0.000 0.442 178 K N -0.794 119.744 120.400 0.230 0.000 2.148 178 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 178 K C 2.294 179.021 176.600 0.211 0.000 1.050 178 K CA 1.279 57.681 56.287 0.191 0.000 0.942 178 K CB -0.142 32.486 32.500 0.214 0.000 0.724 178 K HN 0.462 nan 8.250 nan 0.000 0.446 179 R N 0.121 120.757 120.500 0.228 0.000 2.096 179 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 179 R C 1.702 178.129 176.300 0.211 0.000 1.127 179 R CA 1.539 57.771 56.100 0.221 0.000 0.968 179 R CB -0.170 30.232 30.300 0.169 0.000 0.861 179 R HN 0.231 nan 8.270 nan 0.000 0.440 180 W N 1.001 122.287 121.300 -0.024 0.000 2.335 180 W HA -0.157 4.503 4.660 -0.000 0.000 0.311 180 W C 1.965 178.370 176.519 -0.189 0.000 1.213 180 W CA 1.278 58.575 57.345 -0.080 0.000 1.274 180 W CB -0.581 28.826 29.460 -0.088 0.000 1.148 180 W HN 0.088 nan 8.180 nan 0.000 0.498 181 L N -1.742 119.411 121.223 -0.117 0.000 2.079 181 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 181 L C 2.099 178.724 176.870 -0.408 0.000 1.081 181 L CA 1.522 55.956 54.840 -0.675 0.000 0.752 181 L CB -1.117 40.317 42.059 -1.041 0.000 0.896 181 L HN 0.073 nan 8.230 nan 0.000 0.433 182 Y N -0.597 119.651 120.300 -0.088 0.000 2.314 182 Y HA -0.090 4.460 4.550 -0.000 0.000 0.294 182 Y C 2.690 178.584 175.900 -0.010 0.000 1.119 182 Y CA 0.682 58.776 58.100 -0.011 0.000 1.179 182 Y CB 0.152 38.611 38.460 -0.002 0.000 1.025 182 Y HN 0.156 nan 8.280 nan 0.000 0.541 183 Q N -0.251 119.614 119.800 0.109 0.000 2.373 183 Q HA 0.139 4.479 4.340 -0.000 0.000 0.210 183 Q C 0.330 176.291 176.000 -0.066 0.000 0.913 183 Q CA 0.459 56.273 55.803 0.018 0.000 0.911 183 Q CB 0.495 29.222 28.738 -0.017 0.000 1.040 183 Q HN 0.337 nan 8.270 nan 0.000 0.521 184 R N 0.970 121.398 120.500 -0.121 0.000 2.886 184 R HA 0.189 4.529 4.340 -0.000 0.000 0.306 184 R C -2.106 174.153 176.300 -0.069 0.000 1.300 184 R CA -1.168 54.815 56.100 -0.195 0.000 1.441 184 R CB 0.766 30.741 30.300 -0.541 0.000 1.328 184 R HN 0.049 nan 8.270 nan 0.000 0.629 185 P HA -0.192 nan 4.420 nan 0.000 0.217 185 P C 0.923 178.378 177.300 0.258 0.000 1.150 185 P CA 1.228 64.433 63.100 0.176 0.000 0.832 185 P CB 0.430 32.318 31.700 0.315 0.000 0.787 186 Q N -0.103 119.814 119.800 0.195 0.000 2.050 186 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 186 Q C 2.433 178.544 176.000 0.183 0.000 0.980 186 Q CA 1.835 57.763 55.803 0.209 0.000 0.840 186 Q CB -0.682 28.128 28.738 0.118 0.000 0.898 186 Q HN 0.189 nan 8.270 nan 0.000 0.424 187 A N 0.434 123.303 122.820 0.082 0.000 1.972 187 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 187 A C 2.263 180.010 177.584 0.271 0.000 1.169 187 A CA 1.585 53.681 52.037 0.099 0.000 0.635 187 A CB -0.410 18.509 19.000 -0.135 0.000 0.810 187 A HN 0.239 nan 8.150 nan 0.000 0.446 188 S N -0.768 115.084 115.700 0.254 0.000 2.356 188 S HA -0.156 4.314 4.470 -0.000 0.000 0.223 188 S C 1.925 176.627 174.600 0.169 0.000 1.032 188 S CA 1.247 59.590 58.200 0.239 0.000 1.005 188 S CB -0.568 62.616 63.200 -0.026 0.000 0.867 188 S HN 0.710 nan 8.310 nan 0.000 0.449 189 H N 1.207 120.462 119.070 0.309 0.000 2.387 189 H HA -0.053 4.503 4.556 -0.000 0.000 0.299 189 H C 2.399 177.821 175.328 0.156 0.000 1.090 189 H CA 1.506 57.724 56.048 0.283 0.000 1.332 189 H CB -0.477 29.470 29.762 0.308 0.000 1.386 189 H HN 0.489 nan 8.280 nan 0.000 0.516 190 Q N 0.267 120.225 119.800 0.264 0.000 2.030 190 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 190 Q C 2.389 178.455 176.000 0.110 0.000 0.986 190 Q CA 1.536 57.441 55.803 0.171 0.000 0.843 190 Q CB -0.107 28.721 28.738 0.150 0.000 0.904 190 Q HN 0.261 nan 8.270 nan 0.000 0.420 191 L N 0.536 121.825 121.223 0.110 0.000 2.046 191 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 191 L C 2.054 178.885 176.870 -0.065 0.000 1.077 191 L CA 1.615 56.469 54.840 0.024 0.000 0.747 191 L CB -0.504 41.557 42.059 0.004 0.000 0.896 191 L HN 0.308 nan 8.230 nan 0.000 0.432 192 L N -0.855 120.282 121.223 -0.143 0.000 2.083 192 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 192 L C 2.733 179.364 176.870 -0.398 0.000 1.083 192 L CA 1.229 55.815 54.840 -0.424 0.000 0.752 192 L CB -0.529 41.002 42.059 -0.881 0.000 0.899 192 L HN 0.271 nan 8.230 nan 0.000 0.433 193 R N 0.865 121.284 120.500 -0.136 0.000 2.075 193 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 193 R C 2.051 178.393 176.300 0.069 0.000 1.126 193 R CA 1.542 57.702 56.100 0.100 0.000 0.963 193 R CB -0.591 29.823 30.300 0.190 0.000 0.858 193 R HN 0.248 nan 8.270 nan 0.000 0.435 194 I N 0.154 120.745 120.570 0.035 0.000 2.163 194 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 194 I C 2.056 178.186 176.117 0.021 0.000 1.085 194 I CA 1.290 62.607 61.300 0.029 0.000 1.347 194 I CB -0.249 37.759 38.000 0.014 0.000 1.044 194 I HN 0.156 nan 8.210 nan 0.000 0.408 195 L N -0.165 121.054 121.223 -0.007 0.000 2.046 195 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 195 L C 2.631 179.539 176.870 0.063 0.000 1.077 195 L CA 1.637 56.481 54.840 0.007 0.000 0.747 195 L CB -0.878 41.167 42.059 -0.024 0.000 0.896 195 L HN 0.258 nan 8.230 nan 0.000 0.432 196 T N -1.012 113.593 114.554 0.085 0.000 2.708 196 T HA -0.192 4.158 4.350 -0.000 0.000 0.266 196 T C 1.425 176.206 174.700 0.135 0.000 1.037 196 T CA 1.587 63.781 62.100 0.156 0.000 1.146 196 T CB -0.270 68.752 68.868 0.258 0.000 0.865 196 T HN 0.300 nan 8.240 nan 0.000 0.435 197 D N 1.003 121.470 120.400 0.112 0.000 2.264 197 D HA 0.057 4.697 4.640 -0.000 0.000 0.208 197 D C 2.137 178.491 176.300 0.089 0.000 0.966 197 D CA 0.866 54.923 54.000 0.096 0.000 0.864 197 D CB -0.250 40.598 40.800 0.081 0.000 0.933 197 D HN 0.435 nan 8.370 nan 0.000 0.499 198 A N 0.110 122.978 122.820 0.080 0.000 1.903 198 A HA 0.031 4.351 4.320 -0.000 0.000 0.213 198 A C 2.276 179.939 177.584 0.131 0.000 1.185 198 A CA 0.323 52.404 52.037 0.074 0.000 0.628 198 A CB -0.505 18.510 19.000 0.025 0.000 0.830 198 A HN 0.152 nan 8.150 nan 0.000 0.446 199 L N -0.382 120.933 121.223 0.153 0.000 2.046 199 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 199 L C 2.527 179.526 176.870 0.214 0.000 1.077 199 L CA 0.972 55.948 54.840 0.226 0.000 0.747 199 L CB -0.546 41.637 42.059 0.208 0.000 0.896 199 L HN 0.234 nan 8.230 nan 0.000 0.432 200 V N 0.424 120.434 119.914 0.160 0.000 2.233 200 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 200 V C -0.233 175.935 176.094 0.122 0.000 1.050 200 V CA 2.265 64.639 62.300 0.124 0.000 1.010 200 V CB -1.760 30.123 31.823 0.101 0.000 0.637 200 V HN 0.363 nan 8.190 nan 0.000 0.444 201 P HA -0.178 nan 4.420 nan 0.000 0.219 201 P C 1.528 178.966 177.300 0.230 0.000 1.150 201 P CA 1.491 64.675 63.100 0.139 0.000 0.814 201 P CB -0.162 31.617 31.700 0.132 0.000 0.787 202 Y N 1.219 121.602 120.300 0.138 0.000 2.145 202 Y HA -0.158 4.391 4.550 -0.000 0.000 0.286 202 Y C 2.277 178.292 175.900 0.192 0.000 1.145 202 Y CA 1.336 59.567 58.100 0.219 0.000 1.148 202 Y CB -1.329 37.194 38.460 0.105 0.000 0.981 202 Y HN -0.241 nan 8.280 nan 0.000 0.507 203 L N -1.267 119.956 121.223 -0.000 0.000 2.046 203 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 203 L C 2.429 179.243 176.870 -0.093 0.000 1.077 203 L CA 1.151 55.915 54.840 -0.127 0.000 0.747 203 L CB -0.814 41.234 42.059 -0.017 0.000 0.896 203 L HN 0.075 nan 8.230 nan 0.000 0.432 204 V N 0.250 120.140 119.914 -0.040 0.000 2.287 204 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 204 V C 2.612 178.601 176.094 -0.174 0.000 1.053 204 V CA 2.112 64.371 62.300 -0.069 0.000 1.027 204 V CB -1.311 30.494 31.823 -0.030 0.000 0.646 204 V HN 0.591 nan 8.190 nan 0.000 0.447 205 G N -1.436 107.206 108.800 -0.264 0.000 2.432 205 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 205 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 205 G C 1.492 175.886 174.900 -0.844 0.000 1.135 205 G CA 0.700 45.315 45.100 -0.808 0.000 0.767 205 G HN 0.548 nan 8.290 nan 0.000 0.550 206 Q N -0.337 119.255 119.800 -0.346 0.000 2.124 206 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 206 Q C 2.838 178.751 176.000 -0.145 0.000 0.977 206 Q CA 1.265 56.978 55.803 -0.150 0.000 0.850 206 Q CB -0.153 28.482 28.738 -0.171 0.000 0.901 206 Q HN 0.424 nan 8.270 nan 0.000 0.429 207 V N -0.001 119.828 119.914 -0.141 0.000 2.379 207 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 207 V C 2.245 178.295 176.094 -0.073 0.000 1.044 207 V CA 1.193 63.442 62.300 -0.085 0.000 1.036 207 V CB -0.383 31.409 31.823 -0.052 0.000 0.664 207 V HN 0.167 nan 8.190 nan 0.000 0.453 208 V N 0.686 120.526 119.914 -0.123 0.000 2.324 208 V HA -0.313 3.807 4.120 -0.000 0.000 0.250 208 V C 2.628 178.709 176.094 -0.021 0.000 1.060 208 V CA 2.224 64.469 62.300 -0.091 0.000 1.042 208 V CB -1.125 30.598 31.823 -0.167 0.000 0.650 208 V HN 0.579 nan 8.190 nan 0.000 0.450 209 A N -1.183 121.583 122.820 -0.091 0.000 2.168 209 A HA 0.319 4.639 4.320 -0.000 0.000 0.215 209 A C 1.959 179.596 177.584 0.087 0.000 1.152 209 A CA 1.511 53.573 52.037 0.042 0.000 0.716 209 A CB -0.241 18.779 19.000 0.033 0.000 0.794 209 A HN 1.118 nan 8.150 nan 0.000 0.465 210 G N -2.793 105.978 108.800 -0.048 0.000 2.425 210 G HA2 0.251 4.211 3.960 -0.000 0.000 0.177 210 G HA3 0.251 4.211 3.960 -0.000 0.000 0.177 210 G C 0.372 175.105 174.900 -0.278 0.000 0.999 210 G CA -0.026 44.860 45.100 -0.356 0.000 0.723 210 G HN 1.361 nan 8.290 nan 0.000 0.491 211 A N 0.264 122.998 122.820 -0.143 0.000 2.540 211 A HA 0.555 4.875 4.320 -0.000 0.000 0.239 211 A C 1.013 178.553 177.584 -0.074 0.000 1.061 211 A CA 1.202 53.177 52.037 -0.103 0.000 0.758 211 A CB 0.225 19.184 19.000 -0.069 0.000 0.991 211 A HN 0.479 nan 8.150 nan 0.000 0.502 212 Q N 0.289 120.055 119.800 -0.056 0.000 2.247 212 Q HA 0.459 4.799 4.340 -0.000 0.000 0.211 212 Q C 0.116 176.145 176.000 0.048 0.000 0.861 212 Q CA 0.649 56.454 55.803 0.003 0.000 0.949 212 Q CB 0.599 29.339 28.738 0.004 0.000 1.115 212 Q HN 0.932 nan 8.270 nan 0.000 0.507 213 A N 0.435 123.270 122.820 0.026 0.000 2.586 213 A HA 0.712 5.032 4.320 -0.000 0.000 0.291 213 A C -1.980 175.623 177.584 0.031 0.000 1.062 213 A CA -0.646 51.417 52.037 0.043 0.000 0.666 213 A CB 1.093 20.195 19.000 0.171 0.000 1.281 213 A HN 0.137 nan 8.150 nan 0.000 0.421 214 L N 0.563 121.816 121.223 0.051 0.000 2.431 214 L HA 0.672 5.012 4.340 -0.000 0.000 0.266 214 L C -0.477 176.484 176.870 0.152 0.000 0.978 214 L CA -0.415 54.480 54.840 0.092 0.000 0.822 214 L CB 2.388 44.490 42.059 0.072 0.000 1.310 214 L HN 0.890 nan 8.230 nan 0.000 0.409 215 Q N 2.569 122.500 119.800 0.218 0.000 2.330 215 Q HA 0.565 4.905 4.340 -0.000 0.000 0.269 215 Q C -1.792 174.366 176.000 0.264 0.000 1.022 215 Q CA -0.753 55.159 55.803 0.182 0.000 0.796 215 Q CB 2.420 31.208 28.738 0.083 0.000 1.271 215 Q HN 0.531 nan 8.270 nan 0.000 0.450 216 L N 4.582 125.926 121.223 0.200 0.000 2.272 216 L HA 0.481 4.821 4.340 -0.000 0.000 0.289 216 L C -1.544 175.450 176.870 0.207 0.000 1.032 216 L CA -0.003 55.006 54.840 0.283 0.000 0.810 216 L CB 0.654 42.878 42.059 0.274 0.000 1.205 216 L HN 0.637 nan 8.230 nan 0.000 0.422 217 F N 3.431 123.587 119.950 0.343 0.000 2.368 217 F HA 0.264 4.791 4.527 -0.000 0.000 0.362 217 F C 0.688 176.651 175.800 0.272 0.000 1.137 217 F CA -0.358 57.868 58.000 0.378 0.000 1.161 217 F CB 0.750 39.981 39.000 0.385 0.000 1.265 217 F HN 0.478 nan 8.300 nan 0.000 0.530 218 E N 1.529 121.919 120.200 0.317 0.000 2.201 218 E HA 0.174 4.524 4.350 -0.000 0.000 0.272 218 E C 0.616 177.327 176.600 0.185 0.000 1.228 218 E CA 0.018 56.571 56.400 0.256 0.000 1.305 218 E CB 0.028 29.870 29.700 0.236 0.000 1.381 218 E HN 0.465 nan 8.360 nan 0.000 0.475 219 S N 0.872 116.703 115.700 0.218 0.000 2.481 219 S HA -0.079 4.391 4.470 -0.000 0.000 0.231 219 S C 0.635 175.350 174.600 0.192 0.000 0.996 219 S CA 0.674 58.973 58.200 0.165 0.000 0.942 219 S CB -0.219 63.096 63.200 0.193 0.000 0.768 219 S HN 0.630 nan 8.310 nan 0.000 0.520 220 H N -0.148 119.092 119.070 0.282 0.000 2.487 220 H HA 0.442 4.998 4.556 -0.000 0.000 0.290 220 H C 1.820 177.530 175.328 0.637 0.000 1.081 220 H CA -0.006 56.276 56.048 0.391 0.000 1.116 220 H CB 0.241 30.093 29.762 0.149 0.000 1.560 220 H HN 0.363 nan 8.280 nan 0.000 0.548 221 A N 0.726 123.885 122.820 0.565 0.000 1.917 221 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 221 A C 2.582 180.435 177.584 0.449 0.000 1.182 221 A CA 1.713 54.067 52.037 0.528 0.000 0.633 221 A CB -1.049 18.092 19.000 0.236 0.000 0.819 221 A HN 0.546 nan 8.150 nan 0.000 0.448 222 G N -1.580 107.373 108.800 0.255 0.000 2.470 222 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.220 222 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.220 222 G C 1.221 176.175 174.900 0.091 0.000 1.121 222 G CA 1.222 46.414 45.100 0.154 0.000 0.766 222 G HN 0.768 nan 8.290 nan 0.000 0.553 223 H N -0.475 118.749 119.070 0.257 0.000 2.524 223 H HA 0.201 4.757 4.556 -0.000 0.000 0.282 223 H C 2.422 177.818 175.328 0.113 0.000 1.016 223 H CA 0.523 56.684 56.048 0.189 0.000 1.270 223 H CB 0.120 30.033 29.762 0.252 0.000 1.394 223 H HN 0.284 nan 8.280 nan 0.000 0.568 224 L N -0.863 120.479 121.223 0.199 0.000 2.102 224 L HA 0.146 4.486 4.340 -0.000 0.000 0.202 224 L C 1.143 177.887 176.870 -0.211 0.000 1.076 224 L CA 0.415 55.245 54.840 -0.016 0.000 0.761 224 L CB -0.436 41.603 42.059 -0.033 0.000 0.921 224 L HN 0.484 nan 8.230 nan 0.000 0.444 225 G N -0.199 108.237 108.800 -0.607 0.000 2.880 225 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.617 225 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.617 225 G C -2.266 172.111 174.900 -0.872 0.000 1.493 225 G CA -0.316 44.082 45.100 -1.169 0.000 0.916 225 G HN 0.048 nan 8.290 nan 0.000 0.553 226 P HA -0.036 nan 4.420 nan 0.000 0.216 226 P C 1.827 179.126 177.300 -0.001 0.000 1.153 226 P CA 1.688 64.669 63.100 -0.198 0.000 0.844 226 P CB 0.028 31.672 31.700 -0.094 0.000 0.787 227 Q N -0.436 119.337 119.800 -0.044 0.000 2.050 227 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 227 Q C 2.308 178.323 176.000 0.024 0.000 0.980 227 Q CA 1.277 57.085 55.803 0.007 0.000 0.840 227 Q CB -1.090 27.656 28.738 0.014 0.000 0.898 227 Q HN 0.201 nan 8.270 nan 0.000 0.424 228 L N -0.735 120.492 121.223 0.007 0.000 2.093 228 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 228 L C 2.154 179.051 176.870 0.045 0.000 1.085 228 L CA 0.782 55.636 54.840 0.023 0.000 0.755 228 L CB -0.286 41.699 42.059 -0.125 0.000 0.904 228 L HN 0.236 nan 8.230 nan 0.000 0.435 229 F N 1.332 121.237 119.950 -0.075 0.000 2.102 229 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 229 F C 2.349 178.165 175.800 0.027 0.000 1.105 229 F CA 1.617 59.617 58.000 -0.000 0.000 1.239 229 F CB -0.142 38.990 39.000 0.220 0.000 0.991 229 F HN 0.128 nan 8.300 nan 0.000 0.474 230 N N 0.551 119.392 118.700 0.235 0.000 2.289 230 N HA -0.179 4.561 4.740 -0.000 0.000 0.184 230 N C 1.733 177.207 175.510 -0.060 0.000 1.016 230 N CA 1.157 54.268 53.050 0.102 0.000 0.872 230 N CB -0.370 38.180 38.487 0.106 0.000 0.973 230 N HN 0.411 nan 8.380 nan 0.000 0.433 231 K N -0.788 119.538 120.400 -0.123 0.000 2.137 231 K HA 0.087 4.407 4.320 -0.000 0.000 0.202 231 K C 0.899 177.256 176.600 -0.405 0.000 1.052 231 K CA 0.775 56.866 56.287 -0.327 0.000 0.961 231 K CB 0.125 32.321 32.500 -0.507 0.000 0.741 231 K HN 0.038 nan 8.250 nan 0.000 0.452 232 F N -1.148 118.773 119.950 -0.049 0.000 2.712 232 F HA 0.312 4.839 4.527 -0.000 0.000 0.297 232 F C 1.716 177.545 175.800 0.048 0.000 1.114 232 F CA 0.098 58.103 58.000 0.010 0.000 1.305 232 F CB 0.785 39.652 39.000 -0.222 0.000 1.086 232 F HN 0.049 nan 8.300 nan 0.000 0.599 233 A N -0.373 122.376 122.820 -0.118 0.000 1.969 233 A HA 0.128 4.448 4.320 -0.000 0.000 0.205 233 A C 1.723 179.124 177.584 -0.306 0.000 1.364 233 A CA 0.267 52.134 52.037 -0.284 0.000 0.756 233 A CB -0.907 17.556 19.000 -0.895 0.000 0.988 233 A HN 0.163 nan 8.150 nan 0.000 0.490 234 L N 0.953 121.844 121.223 -0.553 0.000 2.013 234 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 234 L C -0.926 175.885 176.870 -0.098 0.000 1.073 234 L CA 2.642 57.348 54.840 -0.222 0.000 0.753 234 L CB -1.111 40.921 42.059 -0.046 0.000 0.890 234 L HN 0.176 nan 8.230 nan 0.000 0.432 235 P HA -0.173 nan 4.420 nan 0.000 0.216 235 P C 1.069 178.170 177.300 -0.332 0.000 1.150 235 P CA 1.704 64.610 63.100 -0.323 0.000 0.837 235 P CB -0.151 31.204 31.700 -0.576 0.000 0.786 236 Y N -1.428 118.900 120.300 0.046 0.000 2.286 236 Y HA -0.018 4.532 4.550 -0.000 0.000 0.293 236 Y C 2.324 178.293 175.900 0.116 0.000 1.124 236 Y CA 0.470 58.624 58.100 0.089 0.000 1.178 236 Y CB -1.048 37.481 38.460 0.115 0.000 1.010 236 Y HN -0.146 nan 8.280 nan 0.000 0.536 237 I N 0.098 120.800 120.570 0.219 0.000 2.163 237 I HA -0.333 3.836 4.170 -0.000 0.000 0.243 237 I C 2.356 178.664 176.117 0.317 0.000 1.085 237 I CA 1.459 62.907 61.300 0.247 0.000 1.347 237 I CB -0.333 37.755 38.000 0.147 0.000 1.044 237 I HN 0.154 nan 8.210 nan 0.000 0.408 238 R N 0.549 121.169 120.500 0.200 0.000 2.083 238 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 238 R C 1.923 178.281 176.300 0.096 0.000 1.137 238 R CA 1.797 57.989 56.100 0.153 0.000 0.951 238 R CB -0.427 29.913 30.300 0.066 0.000 0.851 238 R HN 0.358 nan 8.270 nan 0.000 0.434 239 D N 0.010 120.456 120.400 0.075 0.000 2.144 239 D HA -0.106 4.534 4.640 -0.000 0.000 0.199 239 D C 1.965 178.324 176.300 0.097 0.000 0.984 239 D CA 0.864 54.904 54.000 0.067 0.000 0.834 239 D CB -0.212 40.631 40.800 0.071 0.000 0.955 239 D HN -0.003 nan 8.370 nan 0.000 0.465 240 V N 1.466 121.472 119.914 0.154 0.000 2.255 240 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 240 V C 2.544 178.677 176.094 0.066 0.000 1.051 240 V CA 1.993 64.384 62.300 0.152 0.000 1.018 240 V CB -0.867 31.097 31.823 0.235 0.000 0.641 240 V HN 0.204 nan 8.190 nan 0.000 0.445 241 A N -0.365 122.450 122.820 -0.008 0.000 1.883 241 A HA -0.295 4.024 4.320 -0.000 0.000 0.217 241 A C 2.355 179.865 177.584 -0.122 0.000 1.186 241 A CA 2.371 54.262 52.037 -0.244 0.000 0.624 241 A CB -0.560 18.043 19.000 -0.662 0.000 0.822 241 A HN 0.538 nan 8.150 nan 0.000 0.444 242 K N -0.539 119.827 120.400 -0.056 0.000 2.026 242 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 242 K C 2.259 178.854 176.600 -0.008 0.000 1.048 242 K CA 1.825 58.096 56.287 -0.026 0.000 0.929 242 K CB -0.243 32.255 32.500 -0.005 0.000 0.713 242 K HN 0.652 nan 8.250 nan 0.000 0.439 243 Q N 0.008 119.815 119.800 0.012 0.000 2.119 243 Q HA -0.098 4.242 4.340 -0.000 0.000 0.201 243 Q C 2.167 178.178 176.000 0.018 0.000 0.972 243 Q CA 1.240 57.057 55.803 0.023 0.000 0.847 243 Q CB 0.105 28.870 28.738 0.045 0.000 0.903 243 Q HN 0.146 nan 8.270 nan 0.000 0.433 244 V N 1.507 121.429 119.914 0.013 0.000 2.295 244 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 244 V C 2.088 178.180 176.094 -0.003 0.000 1.049 244 V CA 1.841 64.145 62.300 0.007 0.000 1.024 244 V CB -0.424 31.399 31.823 0.001 0.000 0.648 244 V HN 0.297 nan 8.190 nan 0.000 0.447 245 K N 0.093 120.485 120.400 -0.015 0.000 2.063 245 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 245 K C 2.296 178.899 176.600 0.004 0.000 1.048 245 K CA 1.568 57.853 56.287 -0.003 0.000 0.928 245 K CB -0.448 32.045 32.500 -0.012 0.000 0.713 245 K HN 0.489 nan 8.250 nan 0.000 0.442 246 A N 1.637 124.459 122.820 0.002 0.000 1.877 246 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 246 A C 2.070 179.658 177.584 0.006 0.000 1.186 246 A CA 1.374 53.414 52.037 0.005 0.000 0.620 246 A CB -0.418 18.586 19.000 0.007 0.000 0.822 246 A HN 0.208 nan 8.150 nan 0.000 0.443 247 R N -0.657 119.847 120.500 0.008 0.000 2.096 247 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 247 R C 2.074 178.375 176.300 0.002 0.000 1.127 247 R CA 1.342 57.446 56.100 0.007 0.000 0.968 247 R CB -0.509 29.797 30.300 0.010 0.000 0.861 247 R HN 0.510 nan 8.270 nan 0.000 0.440 248 L N 0.083 121.307 121.223 0.002 0.000 2.056 248 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 248 L C 2.627 179.499 176.870 0.004 0.000 1.078 248 L CA 1.335 56.175 54.840 0.002 0.000 0.749 248 L CB -0.340 41.724 42.059 0.008 0.000 0.901 248 L HN 0.144 nan 8.230 nan 0.000 0.433 249 R N 0.098 120.602 120.500 0.006 0.000 2.081 249 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 249 R C 2.122 178.422 176.300 0.001 0.000 1.131 249 R CA 1.511 57.613 56.100 0.003 0.000 0.960 249 R CB -0.244 30.058 30.300 0.003 0.000 0.856 249 R HN 0.446 nan 8.270 nan 0.000 0.436 250 E N 0.093 120.294 120.200 0.001 0.000 2.204 250 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 250 E C 1.544 178.144 176.600 -0.001 0.000 0.989 250 E CA 0.943 57.344 56.400 0.001 0.000 0.824 250 E CB 0.070 29.771 29.700 0.003 0.000 0.756 250 E HN 0.329 nan 8.360 nan 0.000 0.477 251 A N 0.205 123.023 122.820 -0.002 0.000 2.238 251 A HA 0.271 4.590 4.320 -0.000 0.000 0.208 251 A C 1.638 179.220 177.584 -0.004 0.000 1.177 251 A CA 0.689 52.723 52.037 -0.005 0.000 0.804 251 A CB -0.268 18.726 19.000 -0.010 0.000 0.823 251 A HN 0.300 nan 8.150 nan 0.000 0.482 252 G N -1.185 107.613 108.800 -0.002 0.000 2.137 252 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.237 252 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.237 252 G C -0.015 174.886 174.900 0.001 0.000 1.002 252 G CA 0.439 45.537 45.100 -0.002 0.000 0.702 252 G HN 0.446 nan 8.290 nan 0.000 0.515 253 L N -0.205 121.021 121.223 0.004 0.000 2.332 253 L HA 0.824 5.163 4.340 -0.000 0.000 0.269 253 L C 0.938 177.818 176.870 0.017 0.000 1.016 253 L CA -0.807 54.041 54.840 0.013 0.000 0.809 253 L CB 1.727 43.794 42.059 0.013 0.000 1.280 253 L HN 0.248 nan 8.230 nan 0.000 0.447 254 A N 1.754 124.590 122.820 0.027 0.000 2.362 254 A HA 0.552 4.872 4.320 -0.000 0.000 0.276 254 A C -2.281 175.342 177.584 0.065 0.000 1.153 254 A CA -1.172 50.885 52.037 0.034 0.000 0.813 254 A CB -0.376 18.645 19.000 0.036 0.000 1.081 254 A HN 0.402 nan 8.150 nan 0.000 0.507 255 P HA 0.203 nan 4.420 nan 0.000 0.269 255 P C -0.203 177.235 177.300 0.230 0.000 1.211 255 P CA 0.116 63.292 63.100 0.126 0.000 0.781 255 P CB 0.534 32.317 31.700 0.139 0.000 0.877 256 V N -0.852 119.169 119.914 0.180 0.000 2.994 256 V HA 0.699 4.819 4.120 -0.000 0.000 0.318 256 V C -2.556 173.536 176.094 -0.003 0.000 1.085 256 V CA -2.944 59.460 62.300 0.172 0.000 0.998 256 V CB 1.273 33.138 31.823 0.069 0.000 1.063 256 V HN 0.329 nan 8.190 nan 0.000 0.447 257 P HA 0.354 nan 4.420 nan 0.000 0.271 257 P C -0.830 176.296 177.300 -0.290 0.000 1.216 257 P CA 0.083 62.749 63.100 -0.723 0.000 0.771 257 P CB 0.479 31.541 31.700 -1.062 0.000 0.864 258 M N 3.155 122.631 119.600 -0.207 0.000 2.383 258 M HA 0.454 4.934 4.480 -0.000 0.000 0.325 258 M C -0.170 176.244 176.300 0.189 0.000 1.092 258 M CA -0.606 54.700 55.300 0.010 0.000 0.961 258 M CB 1.664 34.208 32.600 -0.093 0.000 1.672 258 M HN 0.169 nan 8.290 nan 0.000 0.438 259 I N 3.304 124.025 120.570 0.252 0.000 2.433 259 I HA 0.442 4.612 4.170 -0.000 0.000 0.292 259 I C -0.890 175.304 176.117 0.130 0.000 1.001 259 I CA -0.829 60.583 61.300 0.187 0.000 1.119 259 I CB 2.019 40.100 38.000 0.135 0.000 1.289 259 I HN 0.520 nan 8.210 nan 0.000 0.438 260 I N 7.051 127.558 120.570 -0.104 0.000 2.339 260 I HA 0.391 4.561 4.170 -0.000 0.000 0.290 260 I C -1.391 174.683 176.117 -0.072 0.000 0.994 260 I CA -0.362 60.731 61.300 -0.345 0.000 1.191 260 I CB 0.919 38.344 38.000 -0.958 0.000 1.343 260 I HN 0.374 nan 8.210 nan 0.000 0.458 261 F N 8.588 128.425 119.950 -0.187 0.000 2.347 261 F HA 0.781 5.307 4.527 -0.000 0.000 0.366 261 F C -0.476 175.300 175.800 -0.041 0.000 1.107 261 F CA -0.872 57.048 58.000 -0.133 0.000 1.058 261 F CB 0.935 39.795 39.000 -0.234 0.000 1.236 261 F HN 0.554 nan 8.300 nan 0.000 0.456 262 A N 7.147 129.682 122.820 -0.476 0.000 2.394 262 A HA 0.348 4.668 4.320 -0.000 0.000 0.333 262 A C -0.224 176.954 177.584 -0.678 0.000 1.397 262 A CA -0.836 50.940 52.037 -0.435 0.000 0.884 262 A CB 0.098 18.943 19.000 -0.258 0.000 1.147 262 A HN 0.772 nan 8.150 nan 0.000 0.505 263 K N 2.479 122.382 120.400 -0.828 0.000 2.412 263 K HA 0.117 4.437 4.320 -0.000 0.000 0.281 263 K C -0.563 175.831 176.600 -0.344 0.000 1.027 263 K CA 0.157 56.035 56.287 -0.682 0.000 0.989 263 K CB 0.169 32.376 32.500 -0.488 0.000 0.935 263 K HN 0.699 nan 8.250 nan 0.000 0.475 264 D N 2.348 122.554 120.400 -0.324 0.000 2.945 264 D HA -0.146 4.494 4.640 -0.000 0.000 0.225 264 D C 0.207 176.367 176.300 -0.232 0.000 1.158 264 D CA 1.315 55.194 54.000 -0.202 0.000 0.805 264 D CB -1.115 39.605 40.800 -0.133 0.000 1.098 264 D HN 0.849 nan 8.370 nan 0.000 0.426 265 G N -0.484 108.033 108.800 -0.471 0.000 3.702 265 G HA2 0.204 4.164 3.960 -0.000 0.000 0.288 265 G HA3 0.204 4.164 3.960 -0.000 0.000 0.288 265 G C 1.044 175.341 174.900 -1.004 0.000 1.193 265 G CA 0.230 44.732 45.100 -0.998 0.000 0.952 265 G HN 0.594 nan 8.290 nan 0.000 0.544 266 H N -0.332 118.412 119.070 -0.543 0.000 2.357 266 H HA -0.258 4.298 4.556 -0.000 0.000 0.296 266 H C 1.876 177.009 175.328 -0.325 0.000 1.108 266 H CA 1.892 57.741 56.048 -0.331 0.000 1.273 266 H CB -0.714 28.950 29.762 -0.164 0.000 1.367 266 H HN 0.488 nan 8.280 nan 0.000 0.498 267 F N -0.199 119.207 119.950 -0.907 0.000 2.604 267 F HA 0.421 4.947 4.527 -0.000 0.000 0.298 267 F C 2.116 177.673 175.800 -0.405 0.000 1.131 267 F CA 0.234 57.885 58.000 -0.582 0.000 1.457 267 F CB -0.262 38.339 39.000 -0.665 0.000 1.095 267 F HN 0.344 nan 8.300 nan 0.000 0.574 268 A N 0.398 122.644 122.820 -0.956 0.000 2.390 268 A HA 0.377 4.697 4.320 -0.000 0.000 0.232 268 A C 1.852 179.207 177.584 -0.382 0.000 1.233 268 A CA -0.175 51.443 52.037 -0.697 0.000 0.907 268 A CB -0.748 17.398 19.000 -1.423 0.000 0.967 268 A HN 0.451 nan 8.150 nan 0.000 0.512 269 L N -0.506 120.526 121.223 -0.317 0.000 2.083 269 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 269 L C 2.479 179.298 176.870 -0.084 0.000 1.083 269 L CA 1.857 56.592 54.840 -0.176 0.000 0.752 269 L CB -0.342 41.642 42.059 -0.126 0.000 0.899 269 L HN 0.591 nan 8.230 nan 0.000 0.433 270 E N 0.369 120.531 120.200 -0.063 0.000 2.051 270 E HA -0.253 4.097 4.350 -0.000 0.000 0.192 270 E C 1.999 178.601 176.600 0.003 0.000 0.991 270 E CA 1.449 57.839 56.400 -0.018 0.000 0.799 270 E CB 0.197 29.893 29.700 -0.007 0.000 0.748 270 E HN 0.402 nan 8.360 nan 0.000 0.449 271 E N 0.597 120.799 120.200 0.005 0.000 2.072 271 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 271 E C 2.098 178.737 176.600 0.065 0.000 0.985 271 E CA 0.752 57.183 56.400 0.051 0.000 0.801 271 E CB -0.184 29.574 29.700 0.096 0.000 0.750 271 E HN 0.292 nan 8.360 nan 0.000 0.452 272 L N 0.107 121.348 121.223 0.030 0.000 2.127 272 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 272 L C 2.160 179.066 176.870 0.059 0.000 1.089 272 L CA 1.072 55.932 54.840 0.033 0.000 0.757 272 L CB -0.436 41.593 42.059 -0.050 0.000 0.899 272 L HN 0.141 nan 8.230 nan 0.000 0.434 273 A N -1.188 121.659 122.820 0.045 0.000 2.168 273 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 273 A C 1.822 179.453 177.584 0.079 0.000 1.152 273 A CA 0.825 52.899 52.037 0.062 0.000 0.716 273 A CB -0.052 18.974 19.000 0.042 0.000 0.794 273 A HN 0.408 nan 8.150 nan 0.000 0.465 274 Q N -1.351 118.499 119.800 0.082 0.000 2.179 274 Q HA 0.350 4.690 4.340 -0.000 0.000 0.213 274 Q C 1.230 177.293 176.000 0.105 0.000 0.833 274 Q CA 0.682 56.533 55.803 0.080 0.000 0.990 274 Q CB 0.334 29.107 28.738 0.058 0.000 1.132 274 Q HN 0.563 nan 8.270 nan 0.000 0.493 275 A N 0.177 123.095 122.820 0.162 0.000 2.275 275 A HA 0.447 4.767 4.320 -0.000 0.000 0.212 275 A C 1.360 179.094 177.584 0.249 0.000 1.201 275 A CA 0.787 52.959 52.037 0.226 0.000 0.843 275 A CB 0.036 19.205 19.000 0.281 0.000 0.873 275 A HN 0.372 nan 8.150 nan 0.000 0.492 276 G N -2.282 106.617 108.800 0.165 0.000 2.134 276 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.209 276 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.209 276 G C -0.278 174.526 174.900 -0.159 0.000 0.993 276 G CA 0.027 45.125 45.100 -0.003 0.000 0.669 276 G HN 0.361 nan 8.290 nan 0.000 0.519 277 Y N 0.216 120.534 120.300 0.029 0.000 2.360 277 Y HA 0.588 5.138 4.550 -0.000 0.000 0.337 277 Y C 1.382 177.270 175.900 -0.019 0.000 1.039 277 Y CA -0.765 57.338 58.100 0.005 0.000 1.109 277 Y CB 1.459 39.930 38.460 0.019 0.000 1.201 277 Y HN 0.056 nan 8.280 nan 0.000 0.458 278 E N 1.085 121.298 120.200 0.022 0.000 2.150 278 E HA 0.000 4.350 4.350 -0.000 0.000 0.193 278 E C -0.442 176.142 176.600 -0.026 0.000 0.985 278 E CA 0.837 57.200 56.400 -0.063 0.000 0.814 278 E CB 0.134 29.636 29.700 -0.330 0.000 0.752 278 E HN 0.286 nan 8.360 nan 0.000 0.466 279 V N 0.395 120.323 119.914 0.023 0.000 2.709 279 V HA 0.325 4.445 4.120 -0.000 0.000 0.308 279 V C -0.693 175.442 176.094 0.069 0.000 1.062 279 V CA -0.996 61.315 62.300 0.019 0.000 0.901 279 V CB 2.362 34.169 31.823 -0.027 0.000 1.003 279 V HN -0.266 nan 8.190 nan 0.000 0.425 280 V N 3.177 123.129 119.914 0.063 0.000 2.384 280 V HA 0.714 4.834 4.120 -0.000 0.000 0.287 280 V C 0.727 176.875 176.094 0.091 0.000 1.020 280 V CA -0.253 62.078 62.300 0.052 0.000 0.850 280 V CB 1.658 33.505 31.823 0.040 0.000 0.987 280 V HN 0.995 nan 8.190 nan 0.000 0.436 281 G N 4.820 113.700 108.800 0.133 0.000 2.400 281 G HA2 0.691 4.651 3.960 -0.000 0.000 0.301 281 G HA3 0.691 4.651 3.960 -0.000 0.000 0.301 281 G C -0.956 174.135 174.900 0.318 0.000 1.154 281 G CA -0.492 44.753 45.100 0.242 0.000 0.852 281 G HN 0.579 nan 8.290 nan 0.000 0.511 282 L N 1.200 122.612 121.223 0.315 0.000 2.362 282 L HA 0.365 4.705 4.340 -0.000 0.000 0.271 282 L C -0.226 176.851 176.870 0.345 0.000 1.002 282 L CA -1.160 53.827 54.840 0.245 0.000 0.818 282 L CB 2.308 44.517 42.059 0.249 0.000 1.298 282 L HN 0.768 nan 8.230 nan 0.000 0.420 283 D N -0.564 119.951 120.400 0.192 0.000 2.398 283 D HA 0.020 4.660 4.640 -0.000 0.000 0.247 283 D C 0.687 177.072 176.300 0.142 0.000 1.227 283 D CA -0.506 53.602 54.000 0.180 0.000 0.980 283 D CB 0.559 41.256 40.800 -0.171 0.000 1.106 283 D HN 0.598 nan 8.370 nan 0.000 0.493 284 W N -0.955 120.393 121.300 0.080 0.000 3.077 284 W HA 0.076 4.736 4.660 -0.000 0.000 0.245 284 W C 1.389 177.920 176.519 0.019 0.000 1.316 284 W CA 0.477 57.852 57.345 0.049 0.000 1.537 284 W CB -0.837 28.635 29.460 0.021 0.000 1.131 284 W HN 0.406 nan 8.180 nan 0.000 0.695 285 T N -1.705 112.553 114.554 -0.493 0.000 3.067 285 T HA 0.089 4.439 4.350 -0.000 0.000 0.261 285 T C 0.515 175.102 174.700 -0.190 0.000 1.110 285 T CA 0.173 62.045 62.100 -0.379 0.000 1.113 285 T CB -0.594 67.970 68.868 -0.506 0.000 0.917 285 T HN -0.073 nan 8.240 nan 0.000 0.499 286 V N 2.552 122.388 119.914 -0.129 0.000 2.406 286 V HA 0.671 4.791 4.120 -0.000 0.000 0.272 286 V C 0.799 176.848 176.094 -0.075 0.000 1.043 286 V CA -1.376 60.871 62.300 -0.089 0.000 0.915 286 V CB 0.391 32.180 31.823 -0.056 0.000 0.988 286 V HN 0.632 nan 8.190 nan 0.000 0.466 287 A N 7.224 129.985 122.820 -0.098 0.000 2.520 287 A HA 0.386 4.706 4.320 -0.000 0.000 0.245 287 A C -1.196 176.255 177.584 -0.222 0.000 1.072 287 A CA -0.815 51.141 52.037 -0.135 0.000 0.761 287 A CB 0.020 18.950 19.000 -0.117 0.000 1.004 287 A HN 0.717 nan 8.150 nan 0.000 0.499 288 P HA -0.186 nan 4.420 nan 0.000 0.216 288 P C 1.183 178.206 177.300 -0.461 0.000 1.153 288 P CA 1.613 64.247 63.100 -0.778 0.000 0.858 288 P CB 0.115 30.856 31.700 -1.599 0.000 0.789 289 K N -0.143 120.062 120.400 -0.325 0.000 2.097 289 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 289 K C 1.980 178.506 176.600 -0.123 0.000 1.049 289 K CA 1.365 57.538 56.287 -0.189 0.000 0.933 289 K CB -0.226 32.189 32.500 -0.142 0.000 0.717 289 K HN 0.204 nan 8.250 nan 0.000 0.442 290 K N 0.335 120.665 120.400 -0.118 0.000 2.103 290 K HA -0.046 4.274 4.320 -0.000 0.000 0.204 290 K C 2.250 178.815 176.600 -0.059 0.000 1.052 290 K CA 1.041 57.283 56.287 -0.075 0.000 0.945 290 K CB -0.093 32.366 32.500 -0.070 0.000 0.722 290 K HN 0.089 nan 8.250 nan 0.000 0.443 291 A N 1.802 124.580 122.820 -0.071 0.000 1.902 291 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 291 A C 2.157 179.742 177.584 0.003 0.000 1.181 291 A CA 1.603 53.627 52.037 -0.021 0.000 0.623 291 A CB -0.404 18.608 19.000 0.020 0.000 0.818 291 A HN 0.127 nan 8.150 nan 0.000 0.443 292 R N 0.259 120.751 120.500 -0.013 0.000 2.096 292 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 292 R C 1.952 178.257 176.300 0.008 0.000 1.127 292 R CA 1.987 58.097 56.100 0.018 0.000 0.968 292 R CB -0.470 29.833 30.300 0.006 0.000 0.861 292 R HN 0.710 nan 8.270 nan 0.000 0.440 293 E N -0.889 119.304 120.200 -0.012 0.000 2.077 293 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 293 E C 2.123 178.722 176.600 -0.002 0.000 0.989 293 E CA 1.512 57.907 56.400 -0.008 0.000 0.800 293 E CB -0.186 29.503 29.700 -0.018 0.000 0.746 293 E HN 0.379 nan 8.360 nan 0.000 0.452 294 C N 0.214 119.511 119.300 -0.005 0.000 2.429 294 C HA -0.097 4.363 4.460 -0.000 0.000 0.277 294 C C 2.830 177.822 174.990 0.004 0.000 1.262 294 C CA 0.973 59.988 59.018 -0.005 0.000 1.733 294 C CB -0.761 26.969 27.740 -0.016 0.000 2.010 294 C HN 0.432 nan 8.230 nan 0.000 0.483 295 V N -0.972 118.950 119.914 0.015 0.000 3.174 295 V HA 0.504 4.624 4.120 -0.000 0.000 0.254 295 V C 1.137 177.251 176.094 0.033 0.000 1.120 295 V CA 0.906 63.222 62.300 0.026 0.000 1.114 295 V CB -1.387 30.462 31.823 0.042 0.000 0.756 295 V HN 0.825 nan 8.190 nan 0.000 0.467 296 G N 1.258 110.076 108.800 0.030 0.000 2.615 296 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.218 296 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.218 296 G C -0.107 174.817 174.900 0.041 0.000 1.339 296 G CA 0.166 45.285 45.100 0.031 0.000 0.884 296 G HN 0.405 nan 8.290 nan 0.000 0.559 297 N N -0.197 118.525 118.700 0.037 0.000 2.234 297 N HA 0.160 4.900 4.740 -0.000 0.000 0.227 297 N C 1.442 176.978 175.510 0.044 0.000 1.151 297 N CA 0.877 53.952 53.050 0.041 0.000 0.865 297 N CB 0.761 39.263 38.487 0.025 0.000 1.066 297 N HN 0.489 nan 8.380 nan 0.000 0.515 298 T N 0.028 114.610 114.554 0.048 0.000 3.004 298 T HA 0.052 4.402 4.350 -0.000 0.000 0.243 298 T C 1.182 175.921 174.700 0.065 0.000 1.020 298 T CA 0.201 62.333 62.100 0.053 0.000 1.145 298 T CB 0.397 69.294 68.868 0.049 0.000 0.876 298 T HN 0.086 nan 8.240 nan 0.000 0.449 299 V N 1.497 121.450 119.914 0.066 0.000 2.953 299 V HA 0.491 4.611 4.120 -0.000 0.000 0.304 299 V C 0.090 176.226 176.094 0.070 0.000 1.073 299 V CA -0.712 61.628 62.300 0.067 0.000 1.064 299 V CB 0.773 32.638 31.823 0.070 0.000 1.047 299 V HN 0.082 nan 8.190 nan 0.000 0.478 300 T N 4.721 119.304 114.554 0.048 0.000 2.889 300 T HA 0.555 4.904 4.350 -0.000 0.000 0.291 300 T C -0.114 174.628 174.700 0.070 0.000 0.995 300 T CA -0.177 61.952 62.100 0.048 0.000 1.092 300 T CB 0.690 69.543 68.868 -0.025 0.000 0.954 300 T HN 0.595 nan 8.240 nan 0.000 0.506 301 L N 2.947 124.242 121.223 0.121 0.000 2.343 301 L HA 0.545 4.885 4.340 -0.000 0.000 0.275 301 L C 0.222 177.133 176.870 0.069 0.000 1.056 301 L CA -0.639 54.289 54.840 0.147 0.000 0.804 301 L CB 1.464 43.697 42.059 0.290 0.000 1.203 301 L HN 0.556 nan 8.230 nan 0.000 0.440 302 Q N 1.545 121.372 119.800 0.045 0.000 2.356 302 Q HA 0.681 5.021 4.340 -0.000 0.000 0.270 302 Q C -0.483 175.504 176.000 -0.022 0.000 1.058 302 Q CA -0.079 55.695 55.803 -0.048 0.000 0.802 302 Q CB 2.411 31.154 28.738 0.008 0.000 1.303 302 Q HN 0.821 nan 8.270 nan 0.000 0.444 303 G N 2.438 111.180 108.800 -0.097 0.000 2.270 303 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.268 303 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.268 303 G C -1.244 173.750 174.900 0.157 0.000 1.312 303 G CA -0.066 45.054 45.100 0.033 0.000 1.050 303 G HN 0.835 nan 8.290 nan 0.000 0.474 304 N N -0.470 118.446 118.700 0.360 0.000 2.475 304 N HA 0.319 5.059 4.740 -0.000 0.000 0.272 304 N C -0.135 175.527 175.510 0.254 0.000 1.482 304 N CA -0.259 52.978 53.050 0.312 0.000 0.863 304 N CB 0.451 39.188 38.487 0.416 0.000 1.400 304 N HN 0.799 nan 8.380 nan 0.000 0.489 305 L N 1.773 123.075 121.223 0.132 0.000 2.499 305 L HA 0.168 4.508 4.340 -0.000 0.000 0.273 305 L C 0.299 177.086 176.870 -0.139 0.000 1.195 305 L CA 0.158 55.003 54.840 0.008 0.000 0.882 305 L CB 0.193 42.187 42.059 -0.109 0.000 1.133 305 L HN 0.181 nan 8.230 nan 0.000 0.483 306 D N 7.468 127.769 120.400 -0.164 0.000 2.570 306 D HA -0.037 4.603 4.640 -0.000 0.000 0.243 306 D C -1.610 174.275 176.300 -0.691 0.000 1.171 306 D CA -1.176 52.451 54.000 -0.622 0.000 0.879 306 D CB 1.011 41.443 40.800 -0.613 0.000 1.143 306 D HN 0.399 nan 8.370 nan 0.000 0.511 307 P HA -0.143 nan 4.420 nan 0.000 0.218 307 P C 1.318 178.049 177.300 -0.949 0.000 1.148 307 P CA 0.700 63.262 63.100 -0.897 0.000 0.822 307 P CB -0.016 31.062 31.700 -1.037 0.000 0.784 308 C N -0.310 118.472 119.300 -0.864 0.000 2.422 308 C HA 0.093 4.553 4.460 -0.000 0.000 0.286 308 C C 2.955 177.674 174.990 -0.452 0.000 1.412 308 C CA 0.718 59.339 59.018 -0.661 0.000 1.786 308 C CB -1.972 25.633 27.740 -0.226 0.000 1.835 308 C HN 0.253 nan 8.230 nan 0.000 0.533 309 A N 0.640 123.214 122.820 -0.410 0.000 2.076 309 A HA -0.084 4.236 4.320 -0.000 0.000 0.220 309 A C 1.932 179.373 177.584 -0.238 0.000 1.160 309 A CA 1.202 53.090 52.037 -0.248 0.000 0.653 309 A CB -0.517 18.351 19.000 -0.220 0.000 0.801 309 A HN 0.680 nan 8.150 nan 0.000 0.455 310 L N -1.876 119.108 121.223 -0.398 0.000 2.551 310 L HA -0.106 4.234 4.340 -0.000 0.000 0.228 310 L C 1.809 178.638 176.870 -0.067 0.000 1.153 310 L CA 0.584 55.253 54.840 -0.286 0.000 0.851 310 L CB -0.562 41.239 42.059 -0.429 0.000 0.959 310 L HN 0.529 nan 8.230 nan 0.000 0.451 311 Y N 0.378 120.663 120.300 -0.026 0.000 2.516 311 Y HA 0.103 4.653 4.550 -0.000 0.000 0.291 311 Y C 1.905 177.862 175.900 0.095 0.000 1.131 311 Y CA -0.419 57.702 58.100 0.036 0.000 1.281 311 Y CB -0.011 38.436 38.460 -0.022 0.000 1.013 311 Y HN 0.166 nan 8.280 nan 0.000 0.554 312 A N 0.661 123.581 122.820 0.168 0.000 2.310 312 A HA 0.271 4.591 4.320 -0.000 0.000 0.260 312 A C 0.645 178.241 177.584 0.020 0.000 1.112 312 A CA -0.109 51.977 52.037 0.082 0.000 0.804 312 A CB -0.119 18.887 19.000 0.011 0.000 1.081 312 A HN 0.309 nan 8.150 nan 0.000 0.499 313 S N -0.543 115.144 115.700 -0.021 0.000 2.576 313 S HA 0.068 4.537 4.470 -0.000 0.000 0.272 313 S C 0.653 175.097 174.600 -0.260 0.000 1.352 313 S CA 0.502 58.640 58.200 -0.103 0.000 1.021 313 S CB 0.333 63.515 63.200 -0.030 0.000 0.887 313 S HN 0.679 nan 8.310 nan 0.000 0.542 314 E N 0.787 120.786 120.200 -0.334 0.000 2.118 314 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 314 E C 1.959 178.492 176.600 -0.112 0.000 0.992 314 E CA 1.543 57.785 56.400 -0.264 0.000 0.804 314 E CB -0.190 29.406 29.700 -0.174 0.000 0.741 314 E HN 0.938 nan 8.360 nan 0.000 0.458 315 E N 1.416 121.576 120.200 -0.067 0.000 2.058 315 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 315 E C 1.789 178.378 176.600 -0.019 0.000 0.997 315 E CA 1.579 57.965 56.400 -0.023 0.000 0.801 315 E CB 0.059 29.753 29.700 -0.010 0.000 0.746 315 E HN 0.240 nan 8.360 nan 0.000 0.450 316 E N 0.308 120.488 120.200 -0.034 0.000 2.077 316 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 316 E C 2.200 178.783 176.600 -0.027 0.000 0.989 316 E CA 1.436 57.820 56.400 -0.026 0.000 0.800 316 E CB -0.144 29.542 29.700 -0.023 0.000 0.746 316 E HN 0.399 nan 8.360 nan 0.000 0.452 317 I N 0.801 121.343 120.570 -0.048 0.000 2.163 317 I HA -0.240 3.930 4.170 -0.000 0.000 0.243 317 I C 2.538 178.671 176.117 0.027 0.000 1.085 317 I CA 1.340 62.627 61.300 -0.022 0.000 1.347 317 I CB -0.620 37.347 38.000 -0.055 0.000 1.044 317 I HN 0.204 nan 8.210 nan 0.000 0.408 318 G N -0.024 108.796 108.800 0.033 0.000 2.422 318 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 318 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 318 G C 1.566 176.482 174.900 0.026 0.000 1.146 318 G CA 0.526 45.687 45.100 0.102 0.000 0.769 318 G HN 0.437 nan 8.290 nan 0.000 0.547 319 Q N -0.308 119.486 119.800 -0.009 0.000 2.123 319 Q HA 0.161 4.501 4.340 -0.000 0.000 0.199 319 Q C 2.605 178.564 176.000 -0.067 0.000 0.966 319 Q CA 0.546 56.311 55.803 -0.063 0.000 0.845 319 Q CB -0.199 28.519 28.738 -0.032 0.000 0.907 319 Q HN 0.416 nan 8.270 nan 0.000 0.439 320 L N -0.096 121.112 121.223 -0.026 0.000 2.046 320 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 320 L C 2.296 179.175 176.870 0.015 0.000 1.077 320 L CA 0.720 55.556 54.840 -0.006 0.000 0.747 320 L CB -0.444 41.616 42.059 0.002 0.000 0.896 320 L HN 0.105 nan 8.230 nan 0.000 0.432 321 V N 0.180 120.115 119.914 0.034 0.000 2.295 321 V HA -0.325 3.795 4.120 -0.000 0.000 0.246 321 V C 2.597 178.670 176.094 -0.036 0.000 1.049 321 V CA 2.016 64.357 62.300 0.068 0.000 1.024 321 V CB -0.529 31.351 31.823 0.094 0.000 0.648 321 V HN 0.460 nan 8.190 nan 0.000 0.447 322 K N -0.115 120.135 120.400 -0.250 0.000 2.044 322 K HA -0.333 3.987 4.320 -0.000 0.000 0.210 322 K C 2.275 178.782 176.600 -0.155 0.000 1.049 322 K CA 2.328 58.371 56.287 -0.406 0.000 0.927 322 K CB -0.199 31.892 32.500 -0.681 0.000 0.713 322 K HN 0.405 nan 8.250 nan 0.000 0.443 323 Q N 0.840 120.578 119.800 -0.102 0.000 2.050 323 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 323 Q C 2.069 178.055 176.000 -0.024 0.000 0.980 323 Q CA 2.190 57.959 55.803 -0.056 0.000 0.840 323 Q CB -0.253 28.459 28.738 -0.043 0.000 0.898 323 Q HN 0.463 nan 8.270 nan 0.000 0.424 324 M N -0.926 118.691 119.600 0.029 0.000 2.080 324 M HA -0.196 4.284 4.480 -0.000 0.000 0.260 324 M C 1.366 177.748 176.300 0.136 0.000 1.068 324 M CA 1.435 56.798 55.300 0.106 0.000 1.109 324 M CB -0.082 32.656 32.600 0.231 0.000 1.342 324 M HN 0.357 nan 8.290 nan 0.000 0.405 325 L N 0.727 122.027 121.223 0.128 0.000 2.046 325 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 325 L C 2.012 178.904 176.870 0.036 0.000 1.077 325 L CA 1.748 56.664 54.840 0.127 0.000 0.747 325 L CB -1.135 41.018 42.059 0.156 0.000 0.896 325 L HN 0.303 nan 8.230 nan 0.000 0.432 326 D N -0.267 120.133 120.400 0.000 0.000 2.133 326 D HA -0.195 4.445 4.640 -0.000 0.000 0.195 326 D C 1.754 178.019 176.300 -0.058 0.000 0.997 326 D CA 1.381 55.366 54.000 -0.025 0.000 0.840 326 D CB -0.109 40.669 40.800 -0.036 0.000 0.947 326 D HN 0.326 nan 8.370 nan 0.000 0.452 327 D N -0.676 119.662 120.400 -0.103 0.000 2.117 327 D HA -0.079 4.560 4.640 -0.000 0.000 0.198 327 D C 1.978 178.113 176.300 -0.274 0.000 0.982 327 D CA 0.499 54.377 54.000 -0.202 0.000 0.828 327 D CB -0.445 40.186 40.800 -0.281 0.000 0.967 327 D HN 0.255 nan 8.370 nan 0.000 0.464 328 F N 0.539 120.319 119.950 -0.282 0.000 2.259 328 F HA 0.146 4.673 4.527 -0.000 0.000 0.298 328 F C 1.782 177.421 175.800 -0.268 0.000 1.088 328 F CA 0.853 58.598 58.000 -0.425 0.000 1.358 328 F CB -0.110 38.213 39.000 -1.127 0.000 1.040 328 F HN 0.022 nan 8.300 nan 0.000 0.505 329 G N 0.377 109.164 108.800 -0.022 0.000 2.860 329 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.553 329 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.553 329 G C -2.023 172.868 174.900 -0.014 0.000 1.439 329 G CA -0.369 44.727 45.100 -0.007 0.000 0.879 329 G HN 0.105 nan 8.290 nan 0.000 0.545 330 P HA 0.020 nan 4.420 nan 0.000 0.227 330 P C 0.401 177.600 177.300 -0.169 0.000 1.161 330 P CA 1.016 64.006 63.100 -0.182 0.000 0.788 330 P CB 0.062 31.560 31.700 -0.337 0.000 0.822 331 H N 0.827 119.963 119.070 0.111 0.000 2.525 331 H HA 0.313 4.869 4.556 -0.000 0.000 0.339 331 H C 0.575 175.976 175.328 0.121 0.000 1.109 331 H CA -0.412 55.692 56.048 0.094 0.000 1.352 331 H CB 0.570 30.373 29.762 0.069 0.000 1.461 331 H HN -0.031 nan 8.280 nan 0.000 0.533 332 R N 0.387 121.010 120.500 0.205 0.000 3.336 332 R HA -0.243 4.097 4.340 -0.000 0.000 0.260 332 R C -1.342 175.070 176.300 0.186 0.000 1.032 332 R CA 0.511 56.702 56.100 0.151 0.000 0.693 332 R CB -1.701 28.688 30.300 0.149 0.000 1.134 332 R HN 0.547 nan 8.270 nan 0.000 0.433 333 Y N -0.078 120.202 120.300 -0.034 0.000 2.401 333 Y HA 0.553 5.103 4.550 -0.000 0.000 0.330 333 Y C -1.061 174.757 175.900 -0.137 0.000 1.071 333 Y CA -1.530 56.496 58.100 -0.124 0.000 1.049 333 Y CB 1.303 39.688 38.460 -0.126 0.000 1.239 333 Y HN 0.107 nan 8.280 nan 0.000 0.437 334 I N 5.788 125.988 120.570 -0.616 0.000 2.418 334 I HA 0.671 4.841 4.170 -0.000 0.000 0.287 334 I C -0.147 175.436 176.117 -0.890 0.000 1.008 334 I CA -1.028 59.930 61.300 -0.570 0.000 1.104 334 I CB 1.755 39.669 38.000 -0.143 0.000 1.264 334 I HN 0.831 nan 8.210 nan 0.000 0.438 335 A N 5.872 128.178 122.820 -0.857 0.000 2.388 335 A HA 0.610 4.929 4.320 -0.000 0.000 0.257 335 A C -0.246 177.181 177.584 -0.262 0.000 1.095 335 A CA 0.001 51.685 52.037 -0.589 0.000 0.791 335 A CB 0.555 19.328 19.000 -0.378 0.000 1.029 335 A HN 0.786 nan 8.150 nan 0.000 0.489 336 N N 0.426 119.057 118.700 -0.115 0.000 3.179 336 N HA 0.352 5.092 4.740 -0.000 0.000 0.250 336 N C -1.080 174.369 175.510 -0.101 0.000 1.507 336 N CA -0.581 52.350 53.050 -0.199 0.000 0.883 336 N CB 0.648 38.781 38.487 -0.590 0.000 1.435 336 N HN 0.491 nan 8.380 nan 0.000 0.532 337 L N 0.088 121.105 121.223 -0.342 0.000 2.475 337 L HA 0.355 4.695 4.340 -0.000 0.000 0.253 337 L C 1.894 178.679 176.870 -0.142 0.000 1.198 337 L CA -0.088 54.539 54.840 -0.355 0.000 0.814 337 L CB 0.328 42.076 42.059 -0.518 0.000 1.134 337 L HN 0.815 nan 8.230 nan 0.000 0.478 338 G N -1.979 106.845 108.800 0.040 0.000 2.813 338 G HA2 0.010 3.970 3.960 -0.000 0.000 0.209 338 G HA3 0.010 3.970 3.960 -0.000 0.000 0.209 338 G C 0.352 175.583 174.900 0.552 0.000 1.150 338 G CA 0.316 45.641 45.100 0.374 0.000 0.785 338 G HN 0.729 nan 8.290 nan 0.000 0.535 339 H N -2.507 116.642 119.070 0.132 0.000 2.887 339 H HA 0.392 4.948 4.556 -0.000 0.000 0.290 339 H C -0.157 175.122 175.328 -0.083 0.000 1.429 339 H CA -0.762 55.387 56.048 0.168 0.000 1.137 339 H CB 0.967 31.010 29.762 0.469 0.000 1.824 339 H HN 0.126 nan 8.280 nan 0.000 0.520 340 G N 1.225 109.817 108.800 -0.347 0.000 2.491 340 G HA2 0.327 4.287 3.960 -0.000 0.000 0.242 340 G HA3 0.327 4.287 3.960 -0.000 0.000 0.242 340 G C -0.122 174.605 174.900 -0.288 0.000 1.266 340 G CA -0.532 44.376 45.100 -0.321 0.000 0.844 340 G HN 0.447 nan 8.290 nan 0.000 0.571 341 L N 0.798 121.808 121.223 -0.354 0.000 2.543 341 L HA 0.021 4.361 4.340 -0.000 0.000 0.285 341 L C 0.203 176.996 176.870 -0.129 0.000 1.236 341 L CA 0.320 54.894 54.840 -0.443 0.000 0.871 341 L CB 0.155 41.831 42.059 -0.639 0.000 1.121 341 L HN 0.478 nan 8.230 nan 0.000 0.501 342 Y N 2.742 122.878 120.300 -0.273 0.000 2.335 342 Y HA 0.168 4.718 4.550 -0.000 0.000 0.323 342 Y C -1.325 174.546 175.900 -0.049 0.000 1.224 342 Y CA -2.186 55.836 58.100 -0.131 0.000 1.241 342 Y CB 0.729 39.143 38.460 -0.078 0.000 1.235 342 Y HN 0.484 nan 8.280 nan 0.000 0.492 343 P HA -0.149 nan 4.420 nan 0.000 0.223 343 P C 0.432 177.824 177.300 0.153 0.000 1.151 343 P CA 1.448 64.625 63.100 0.129 0.000 0.787 343 P CB 0.114 31.856 31.700 0.071 0.000 0.788 344 D N -2.193 118.315 120.400 0.181 0.000 2.325 344 D HA 0.011 4.651 4.640 -0.000 0.000 0.225 344 D C 0.471 176.898 176.300 0.212 0.000 1.096 344 D CA 0.080 54.186 54.000 0.177 0.000 0.844 344 D CB -0.624 40.272 40.800 0.160 0.000 0.925 344 D HN 0.148 nan 8.370 nan 0.000 0.513 345 M N 0.573 120.273 119.600 0.167 0.000 2.241 345 M HA 0.117 4.597 4.480 -0.000 0.000 0.335 345 M C 0.153 176.508 176.300 0.091 0.000 1.122 345 M CA -0.339 54.994 55.300 0.055 0.000 1.164 345 M CB 0.901 33.371 32.600 -0.215 0.000 1.459 345 M HN -0.208 nan 8.290 nan 0.000 0.461 346 D N 2.564 122.955 120.400 -0.015 0.000 2.280 346 D HA 0.223 4.863 4.640 -0.000 0.000 0.243 346 D C -1.948 174.425 176.300 0.121 0.000 1.129 346 D CA -2.099 51.887 54.000 -0.023 0.000 0.848 346 D CB 1.445 42.048 40.800 -0.330 0.000 1.107 346 D HN 0.176 nan 8.370 nan 0.000 0.471 347 P HA -0.145 nan 4.420 nan 0.000 0.217 347 P C 0.924 178.473 177.300 0.414 0.000 1.148 347 P CA 0.931 64.319 63.100 0.480 0.000 0.828 347 P CB 0.404 32.335 31.700 0.386 0.000 0.783 348 E N -1.302 119.066 120.200 0.280 0.000 2.153 348 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 348 E C 1.993 178.778 176.600 0.309 0.000 0.988 348 E CA 1.150 57.727 56.400 0.295 0.000 0.811 348 E CB -0.861 28.986 29.700 0.245 0.000 0.746 348 E HN 0.580 nan 8.360 nan 0.000 0.466 349 H N -0.312 118.788 119.070 0.051 0.000 2.428 349 H HA 0.010 4.566 4.556 -0.000 0.000 0.296 349 H C 2.163 177.434 175.328 -0.094 0.000 1.062 349 H CA 0.630 56.666 56.048 -0.019 0.000 1.350 349 H CB 0.505 30.240 29.762 -0.044 0.000 1.403 349 H HN -0.039 nan 8.280 nan 0.000 0.533 350 V N 0.471 120.358 119.914 -0.044 0.000 2.343 350 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 350 V C 2.711 178.546 176.094 -0.432 0.000 1.051 350 V CA 1.809 63.920 62.300 -0.315 0.000 1.036 350 V CB -0.880 30.641 31.823 -0.503 0.000 0.654 350 V HN 0.558 nan 8.190 nan 0.000 0.451 351 G N -0.253 108.343 108.800 -0.339 0.000 2.418 351 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 351 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 351 G C 1.792 176.676 174.900 -0.026 0.000 1.158 351 G CA 1.061 46.109 45.100 -0.088 0.000 0.771 351 G HN 0.604 nan 8.290 nan 0.000 0.545 352 A N 0.453 123.279 122.820 0.011 0.000 1.908 352 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 352 A C 2.175 179.750 177.584 -0.016 0.000 1.181 352 A CA 1.770 53.803 52.037 -0.008 0.000 0.627 352 A CB -0.581 18.395 19.000 -0.039 0.000 0.818 352 A HN 0.460 nan 8.150 nan 0.000 0.445 353 F N 0.758 120.604 119.950 -0.173 0.000 2.102 353 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 353 F C 2.227 177.907 175.800 -0.201 0.000 1.105 353 F CA 1.936 59.826 58.000 -0.184 0.000 1.239 353 F CB -0.555 38.300 39.000 -0.242 0.000 0.991 353 F HN 0.021 nan 8.300 nan 0.000 0.474 354 V N 0.799 120.490 119.914 -0.372 0.000 2.287 354 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 354 V C 2.153 177.945 176.094 -0.503 0.000 1.053 354 V CA 2.338 64.325 62.300 -0.521 0.000 1.027 354 V CB -0.766 30.873 31.823 -0.307 0.000 0.646 354 V HN 0.299 nan 8.190 nan 0.000 0.447 355 D N 0.226 120.481 120.400 -0.241 0.000 2.144 355 D HA -0.090 4.549 4.640 -0.000 0.000 0.200 355 D C 2.198 178.413 176.300 -0.142 0.000 0.978 355 D CA 1.549 55.472 54.000 -0.128 0.000 0.833 355 D CB -0.315 40.461 40.800 -0.040 0.000 0.961 355 D HN 0.448 nan 8.370 nan 0.000 0.470 356 A N 0.557 123.286 122.820 -0.151 0.000 1.930 356 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 356 A C 2.504 180.063 177.584 -0.042 0.000 1.175 356 A CA 1.008 53.015 52.037 -0.050 0.000 0.627 356 A CB -0.637 18.396 19.000 0.056 0.000 0.815 356 A HN 0.138 nan 8.150 nan 0.000 0.443 357 V N -0.350 119.414 119.914 -0.250 0.000 2.295 357 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 357 V C 2.287 178.378 176.094 -0.005 0.000 1.049 357 V CA 2.317 64.498 62.300 -0.199 0.000 1.024 357 V CB -1.172 30.376 31.823 -0.457 0.000 0.648 357 V HN 0.740 nan 8.190 nan 0.000 0.447 358 H N -0.145 118.877 119.070 -0.080 0.000 2.293 358 H HA -0.196 4.360 4.556 -0.000 0.000 0.300 358 H C 2.467 177.748 175.328 -0.078 0.000 1.082 358 H CA 1.821 57.827 56.048 -0.070 0.000 1.308 358 H CB 0.042 29.712 29.762 -0.153 0.000 1.375 358 H HN 0.311 nan 8.280 nan 0.000 0.495 359 K N 0.326 120.725 120.400 -0.003 0.000 1.985 359 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 359 K C 1.924 178.449 176.600 -0.125 0.000 1.047 359 K CA 1.590 57.800 56.287 -0.128 0.000 0.932 359 K CB -0.049 32.289 32.500 -0.270 0.000 0.716 359 K HN 0.432 nan 8.250 nan 0.000 0.439 360 H N 0.165 119.250 119.070 0.025 0.000 2.423 360 H HA -0.048 4.508 4.556 -0.000 0.000 0.297 360 H C 2.418 177.778 175.328 0.053 0.000 1.075 360 H CA 1.616 57.683 56.048 0.031 0.000 1.342 360 H CB -0.050 29.726 29.762 0.023 0.000 1.395 360 H HN 0.422 nan 8.280 nan 0.000 0.530 361 S N 0.672 116.481 115.700 0.181 0.000 2.406 361 S HA -0.060 4.410 4.470 -0.000 0.000 0.228 361 S C 2.103 176.782 174.600 0.131 0.000 1.020 361 S CA 0.369 58.667 58.200 0.164 0.000 0.965 361 S CB 0.010 63.326 63.200 0.193 0.000 0.798 361 S HN 0.290 nan 8.310 nan 0.000 0.488 362 R N 0.774 121.342 120.500 0.112 0.000 2.062 362 R HA 0.206 4.546 4.340 -0.000 0.000 0.229 362 R C 2.356 178.691 176.300 0.057 0.000 1.128 362 R CA 1.296 57.443 56.100 0.078 0.000 0.960 362 R CB -0.665 29.657 30.300 0.038 0.000 0.855 362 R HN 0.380 nan 8.270 nan 0.000 0.432 363 L N 0.644 121.899 121.223 0.053 0.000 2.079 363 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 363 L C 2.362 179.272 176.870 0.066 0.000 1.081 363 L CA 0.841 55.715 54.840 0.057 0.000 0.752 363 L CB -0.335 41.769 42.059 0.075 0.000 0.896 363 L HN 0.198 nan 8.230 nan 0.000 0.433 364 L N -0.578 120.693 121.223 0.079 0.000 2.275 364 L HA -0.146 4.194 4.340 -0.000 0.000 0.215 364 L C 2.517 179.411 176.870 0.039 0.000 1.119 364 L CA 1.522 56.398 54.840 0.060 0.000 0.790 364 L CB -0.294 41.804 42.059 0.065 0.000 0.919 364 L HN 0.071 nan 8.230 nan 0.000 0.443 365 R N -1.631 118.895 120.500 0.043 0.000 2.087 365 R HA 0.116 4.456 4.340 -0.000 0.000 0.216 365 R C 0.963 177.284 176.300 0.036 0.000 1.114 365 R CA 0.527 56.648 56.100 0.034 0.000 1.002 365 R CB 0.070 30.395 30.300 0.042 0.000 0.903 365 R HN 0.387 nan 8.270 nan 0.000 0.445 366 Q N 0.000 119.822 119.800 0.037 0.000 2.315 366 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 366 Q CA 0.000 55.822 55.803 0.032 0.000 1.022 366 Q CB 0.000 28.755 28.738 0.029 0.000 1.108 366 Q HN 0.000 nan 8.270 nan 0.000 0.481