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 1r56_1_A DATA FIRST_RESID 2 DATA SEQUENCE AVKAARYGKD NVRVYKVHKD EKTGVQTVYE MTVCVLLEGE IETSYTKADN DATA SEQUENCE SVIVATDSIK NTIYITAKQN PVTPPELFGS ILGTHFIEKY NHIHAAHVNI DATA SEQUENCE VCHRWTRMDI DGKPHPHSFI RDSEEKRNVQ VDVVEGKGID IKSSLSGLTV DATA SEQUENCE LKSTNSQFWG FLRDEYTTLK ETWDRILSTD VDATWQWKNF SGLQEVRSHV DATA SEQUENCE PKFDATWATA REVTLKTFAE DNSASVQATM YKMAEQILAR QQLIETVEYS DATA SEQUENCE LPNKHYFEID LSWHKGLQNT GKNAEVFAPQ SDPNGLIKCT VGRS 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.557 177.584 -0.046 0.000 1.274 2 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 2 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 3 V N 3.946 123.824 119.914 -0.060 0.000 2.415 3 V HA 0.126 4.246 4.120 -0.000 0.000 0.267 3 V C 1.191 177.229 176.094 -0.093 0.000 1.042 3 V CA 0.513 62.743 62.300 -0.118 0.000 1.000 3 V CB 0.630 32.352 31.823 -0.169 0.000 1.015 3 V HN 0.956 nan 8.190 nan 0.000 0.478 4 K N 3.469 123.813 120.400 -0.093 0.000 2.211 4 K HA 0.409 4.729 4.320 -0.000 0.000 0.201 4 K C 0.571 177.129 176.600 -0.069 0.000 1.052 4 K CA 0.900 57.148 56.287 -0.065 0.000 0.973 4 K CB 0.533 33.001 32.500 -0.054 0.000 0.766 4 K HN 0.723 nan 8.250 nan 0.000 0.466 5 A N 0.595 123.352 122.820 -0.105 0.000 2.547 5 A HA 0.750 5.070 4.320 -0.000 0.000 0.297 5 A C -1.779 175.709 177.584 -0.160 0.000 1.056 5 A CA -0.635 51.344 52.037 -0.097 0.000 0.688 5 A CB 1.898 20.852 19.000 -0.075 0.000 1.282 5 A HN 0.075 nan 8.150 nan 0.000 0.400 6 A N 1.465 124.215 122.820 -0.116 0.000 2.517 6 A HA 0.900 5.219 4.320 -0.000 0.000 0.297 6 A C -0.620 176.997 177.584 0.055 0.000 1.050 6 A CA -0.474 51.495 52.037 -0.114 0.000 0.694 6 A CB 1.433 20.282 19.000 -0.252 0.000 1.277 6 A HN 0.919 nan 8.150 nan 0.000 0.400 7 R N 0.048 120.621 120.500 0.121 0.000 2.707 7 R HA 0.725 5.064 4.340 -0.000 0.000 0.272 7 R C -1.833 174.617 176.300 0.251 0.000 1.011 7 R CA -0.569 55.616 56.100 0.141 0.000 0.893 7 R CB 2.340 32.652 30.300 0.019 0.000 1.233 7 R HN 1.097 nan 8.270 nan 0.000 0.464 8 Y N -1.240 119.062 120.300 0.004 0.000 2.604 8 Y HA 0.785 5.335 4.550 -0.000 0.000 0.331 8 Y C -0.647 175.208 175.900 -0.075 0.000 1.158 8 Y CA -0.376 57.714 58.100 -0.016 0.000 1.056 8 Y CB 1.188 39.649 38.460 0.003 0.000 1.330 8 Y HN 0.775 nan 8.280 nan 0.000 0.457 9 G N 1.994 110.598 108.800 -0.325 0.000 2.441 9 G HA2 0.417 4.377 3.960 -0.000 0.000 0.225 9 G HA3 0.417 4.377 3.960 -0.000 0.000 0.225 9 G C -2.130 172.661 174.900 -0.182 0.000 1.200 9 G CA -1.128 43.711 45.100 -0.435 0.000 0.947 9 G HN 0.562 nan 8.290 nan 0.000 0.484 10 K N 0.661 120.952 120.400 -0.183 0.000 2.292 10 K HA 0.652 4.972 4.320 -0.000 0.000 0.257 10 K C -1.498 175.051 176.600 -0.085 0.000 0.940 10 K CA -0.674 55.551 56.287 -0.103 0.000 0.811 10 K CB 1.708 34.145 32.500 -0.104 0.000 1.120 10 K HN 0.486 nan 8.250 nan 0.000 0.428 11 D N 1.769 122.140 120.400 -0.048 0.000 2.299 11 D HA 0.383 5.023 4.640 -0.000 0.000 0.243 11 D C -0.574 175.721 176.300 -0.008 0.000 0.982 11 D CA 0.110 54.091 54.000 -0.030 0.000 0.924 11 D CB 0.787 41.574 40.800 -0.022 0.000 1.238 11 D HN 0.602 nan 8.370 nan 0.000 0.484 12 N N 0.749 119.454 118.700 0.008 0.000 2.740 12 N HA -0.134 4.606 4.740 -0.000 0.000 0.248 12 N C -0.862 174.676 175.510 0.046 0.000 1.062 12 N CA 0.376 53.446 53.050 0.033 0.000 0.704 12 N CB -1.378 37.127 38.487 0.031 0.000 0.968 12 N HN 0.146 nan 8.380 nan 0.000 0.547 13 V N 1.294 121.230 119.914 0.037 0.000 2.389 13 V HA 0.152 4.272 4.120 -0.000 0.000 0.264 13 V C 1.178 177.343 176.094 0.119 0.000 1.049 13 V CA -0.275 62.053 62.300 0.047 0.000 0.932 13 V CB 0.778 32.573 31.823 -0.047 0.000 1.011 13 V HN 0.074 nan 8.190 nan 0.000 0.475 14 R N 3.677 124.277 120.500 0.166 0.000 2.265 14 R HA 0.623 4.963 4.340 -0.000 0.000 0.314 14 R C -0.960 175.499 176.300 0.265 0.000 1.053 14 R CA -0.374 55.842 56.100 0.193 0.000 0.931 14 R CB 1.478 31.865 30.300 0.145 0.000 1.024 14 R HN 0.524 nan 8.270 nan 0.000 0.457 15 V N 3.779 123.851 119.914 0.262 0.000 2.735 15 V HA 0.334 4.453 4.120 -0.000 0.000 0.310 15 V C -1.180 175.079 176.094 0.275 0.000 1.061 15 V CA -1.014 61.457 62.300 0.285 0.000 0.913 15 V CB 1.706 33.676 31.823 0.244 0.000 1.005 15 V HN 0.664 nan 8.190 nan 0.000 0.428 16 Y N 3.582 123.931 120.300 0.081 0.000 2.425 16 Y HA 0.733 5.283 4.550 -0.000 0.000 0.344 16 Y C -0.557 175.351 175.900 0.014 0.000 0.969 16 Y CA -0.825 57.304 58.100 0.049 0.000 1.052 16 Y CB 1.765 40.229 38.460 0.007 0.000 1.215 16 Y HN 0.652 nan 8.280 nan 0.000 0.451 17 K N 5.498 125.687 120.400 -0.352 0.000 2.422 17 K HA 0.686 5.006 4.320 -0.000 0.000 0.251 17 K C -2.200 174.088 176.600 -0.520 0.000 0.933 17 K CA -0.961 55.154 56.287 -0.287 0.000 0.798 17 K CB 2.262 34.689 32.500 -0.123 0.000 1.238 17 K HN 0.609 nan 8.250 nan 0.000 0.428 18 V N 4.172 123.919 119.914 -0.278 0.000 2.513 18 V HA 0.372 4.492 4.120 -0.000 0.000 0.299 18 V C -1.088 175.015 176.094 0.015 0.000 1.035 18 V CA -0.437 61.746 62.300 -0.195 0.000 0.889 18 V CB 1.471 33.260 31.823 -0.058 0.000 0.988 18 V HN 0.888 nan 8.190 nan 0.000 0.440 19 H N 6.477 125.536 119.070 -0.017 0.000 2.476 19 H HA 0.487 5.042 4.556 -0.001 0.000 0.328 19 H C -0.967 174.381 175.328 0.032 0.000 1.073 19 H CA -0.781 55.291 56.048 0.039 0.000 1.229 19 H CB 1.397 31.235 29.762 0.126 0.000 1.432 19 H HN 0.660 nan 8.280 nan 0.000 0.477 20 K N 4.497 124.579 120.400 -0.530 0.000 2.293 20 K HA 0.093 4.413 4.320 -0.000 0.000 0.267 20 K C -0.535 175.761 176.600 -0.506 0.000 1.010 20 K CA -0.827 55.245 56.287 -0.358 0.000 0.875 20 K CB 1.699 34.098 32.500 -0.169 0.000 1.106 20 K HN 0.555 nan 8.250 nan 0.000 0.450 21 D N 3.757 123.981 120.400 -0.293 0.000 2.339 21 D HA -0.046 4.594 4.640 -0.000 0.000 0.256 21 D C 0.967 177.227 176.300 -0.066 0.000 1.214 21 D CA 0.166 54.093 54.000 -0.123 0.000 0.877 21 D CB 0.985 41.815 40.800 0.049 0.000 1.111 21 D HN 0.649 nan 8.370 nan 0.000 0.478 22 E N 3.070 123.240 120.200 -0.049 0.000 2.338 22 E HA -0.188 4.162 4.350 -0.000 0.000 0.197 22 E C 0.814 177.409 176.600 -0.009 0.000 1.007 22 E CA 0.802 57.185 56.400 -0.029 0.000 0.849 22 E CB 0.238 29.925 29.700 -0.021 0.000 0.774 22 E HN 0.268 nan 8.360 nan 0.000 0.506 23 K N 0.598 121.000 120.400 0.004 0.000 2.078 23 K HA -0.012 4.308 4.320 -0.000 0.000 0.203 23 K C 2.375 178.978 176.600 0.005 0.000 1.043 23 K CA 1.767 58.059 56.287 0.008 0.000 0.960 23 K CB -0.041 32.470 32.500 0.018 0.000 0.761 23 K HN 0.256 nan 8.250 nan 0.000 0.448 24 T N -3.170 111.390 114.554 0.010 0.000 3.051 24 T HA 0.179 4.529 4.350 -0.000 0.000 0.255 24 T C 1.537 176.237 174.700 -0.001 0.000 1.085 24 T CA 0.636 62.739 62.100 0.005 0.000 1.109 24 T CB 0.360 69.237 68.868 0.014 0.000 0.921 24 T HN 0.330 nan 8.240 nan 0.000 0.488 25 G N 0.860 109.660 108.800 -0.001 0.000 2.179 25 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.260 25 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.260 25 G C 0.111 175.025 174.900 0.022 0.000 0.977 25 G CA 0.013 45.115 45.100 0.003 0.000 0.641 25 G HN 0.747 nan 8.290 nan 0.000 0.533 26 V N 1.926 121.853 119.914 0.022 0.000 2.585 26 V HA 0.321 4.441 4.120 -0.000 0.000 0.296 26 V C 0.715 176.861 176.094 0.087 0.000 1.035 26 V CA 0.400 62.729 62.300 0.048 0.000 1.084 26 V CB 1.296 33.149 31.823 0.050 0.000 0.953 26 V HN 0.479 nan 8.190 nan 0.000 0.483 27 Q N 2.811 122.702 119.800 0.152 0.000 2.274 27 Q HA 0.580 4.920 4.340 -0.000 0.000 0.260 27 Q C -0.700 175.470 176.000 0.283 0.000 0.974 27 Q CA -0.554 55.355 55.803 0.177 0.000 0.876 27 Q CB 2.200 31.057 28.738 0.199 0.000 1.297 27 Q HN 0.743 nan 8.270 nan 0.000 0.446 28 T N 1.173 115.812 114.554 0.142 0.000 2.848 28 T HA 0.460 4.810 4.350 -0.000 0.000 0.285 28 T C -0.451 173.973 174.700 -0.461 0.000 0.995 28 T CA -0.695 61.368 62.100 -0.062 0.000 0.970 28 T CB 1.341 70.199 68.868 -0.016 0.000 0.976 28 T HN 0.469 nan 8.240 nan 0.000 0.441 29 V N 1.194 120.567 119.914 -0.902 0.000 2.667 29 V HA 0.828 4.948 4.120 -0.000 0.000 0.308 29 V C -1.721 173.767 176.094 -1.010 0.000 1.048 29 V CA -0.937 60.768 62.300 -0.992 0.000 0.928 29 V CB 1.157 32.322 31.823 -1.096 0.000 1.004 29 V HN 0.805 nan 8.190 nan 0.000 0.444 30 Y N 1.498 121.533 120.300 -0.441 0.000 2.406 30 Y HA 0.726 5.275 4.550 -0.001 0.000 0.340 30 Y C -0.013 175.819 175.900 -0.113 0.000 0.975 30 Y CA -0.554 57.420 58.100 -0.210 0.000 1.056 30 Y CB 2.076 40.396 38.460 -0.232 0.000 1.210 30 Y HN 0.891 nan 8.280 nan 0.000 0.448 31 E N 5.398 125.745 120.200 0.245 0.000 2.256 31 E HA 0.711 5.061 4.350 -0.000 0.000 0.268 31 E C -1.303 175.489 176.600 0.321 0.000 0.877 31 E CA -0.860 55.742 56.400 0.336 0.000 0.757 31 E CB 1.401 31.451 29.700 0.583 0.000 1.183 31 E HN 0.737 nan 8.360 nan 0.000 0.418 32 M N 0.992 120.765 119.600 0.287 0.000 2.575 32 M HA 0.552 5.031 4.480 -0.000 0.000 0.284 32 M C -1.438 175.014 176.300 0.254 0.000 1.253 32 M CA -0.802 54.629 55.300 0.218 0.000 0.861 32 M CB 2.250 34.900 32.600 0.084 0.000 1.733 32 M HN 0.222 nan 8.290 nan 0.000 0.462 33 T N 1.957 116.627 114.554 0.194 0.000 2.772 33 T HA 0.615 4.964 4.350 -0.000 0.000 0.288 33 T C -0.496 174.255 174.700 0.085 0.000 0.994 33 T CA -0.504 61.701 62.100 0.175 0.000 0.951 33 T CB 1.416 70.411 68.868 0.212 0.000 0.933 33 T HN 0.493 nan 8.240 nan 0.000 0.447 34 V N 2.505 122.468 119.914 0.083 0.000 2.483 34 V HA 0.580 4.700 4.120 -0.000 0.000 0.295 34 V C 0.015 176.111 176.094 0.004 0.000 1.035 34 V CA -0.881 61.450 62.300 0.050 0.000 0.896 34 V CB 1.658 33.532 31.823 0.085 0.000 0.986 34 V HN 1.066 nan 8.190 nan 0.000 0.447 35 C N 5.460 124.746 119.300 -0.023 0.000 2.396 35 C HA 0.819 5.279 4.460 -0.000 0.000 0.321 35 C C -0.604 174.334 174.990 -0.086 0.000 1.233 35 C CA -0.195 58.791 59.018 -0.052 0.000 1.440 35 C CB 0.644 28.358 27.740 -0.043 0.000 2.110 35 C HN 0.719 nan 8.230 nan 0.000 0.473 36 V N 7.661 127.491 119.914 -0.140 0.000 2.407 36 V HA 0.488 4.608 4.120 -0.000 0.000 0.291 36 V C -0.336 175.592 176.094 -0.278 0.000 1.018 36 V CA -0.304 61.865 62.300 -0.218 0.000 0.842 36 V CB 1.439 33.074 31.823 -0.314 0.000 0.996 36 V HN 0.789 nan 8.190 nan 0.000 0.426 37 L N 5.997 127.096 121.223 -0.206 0.000 2.341 37 L HA 0.635 4.975 4.340 -0.000 0.000 0.278 37 L C -0.676 176.079 176.870 -0.192 0.000 1.005 37 L CA -0.477 54.244 54.840 -0.198 0.000 0.818 37 L CB 1.879 43.897 42.059 -0.068 0.000 1.259 37 L HN 0.410 nan 8.230 nan 0.000 0.418 38 L N 2.717 123.730 121.223 -0.350 0.000 2.331 38 L HA 0.586 4.926 4.340 -0.000 0.000 0.275 38 L C -0.259 176.576 176.870 -0.058 0.000 1.022 38 L CA -0.612 54.058 54.840 -0.284 0.000 0.812 38 L CB 2.007 43.778 42.059 -0.481 0.000 1.257 38 L HN 0.604 nan 8.230 nan 0.000 0.435 39 E N 0.291 120.492 120.200 0.000 0.000 2.336 39 E HA 0.790 5.140 4.350 -0.000 0.000 0.267 39 E C -0.443 176.154 176.600 -0.005 0.000 0.906 39 E CA -0.597 55.846 56.400 0.072 0.000 0.781 39 E CB 2.897 32.681 29.700 0.140 0.000 1.261 39 E HN 0.782 nan 8.360 nan 0.000 0.436 40 G N 0.757 109.565 108.800 0.013 0.000 2.399 40 G HA2 0.002 3.962 3.960 -0.000 0.000 0.256 40 G HA3 0.002 3.962 3.960 -0.000 0.000 0.256 40 G C -1.413 173.493 174.900 0.011 0.000 1.236 40 G CA -0.841 44.190 45.100 -0.115 0.000 0.914 40 G HN 0.440 nan 8.290 nan 0.000 0.482 41 E N 1.371 121.563 120.200 -0.013 0.000 1.964 41 E HA 0.352 4.702 4.350 -0.000 0.000 0.264 41 E C 0.731 177.423 176.600 0.153 0.000 1.120 41 E CA -0.082 56.390 56.400 0.119 0.000 1.061 41 E CB 0.054 29.852 29.700 0.164 0.000 1.190 41 E HN 0.540 nan 8.360 nan 0.000 0.459 42 I N -2.117 118.537 120.570 0.141 0.000 4.102 42 I HA 0.236 4.405 4.170 -0.000 0.000 0.325 42 I C 0.579 176.803 176.117 0.179 0.000 1.471 42 I CA -0.280 61.105 61.300 0.142 0.000 1.133 42 I CB 0.495 38.577 38.000 0.137 0.000 1.184 42 I HN -0.037 nan 8.210 nan 0.000 0.451 43 E N 2.178 122.478 120.200 0.167 0.000 2.085 43 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 43 E C 2.247 178.956 176.600 0.181 0.000 0.994 43 E CA 2.683 59.197 56.400 0.190 0.000 0.801 43 E CB -0.547 29.208 29.700 0.092 0.000 0.743 43 E HN 0.713 nan 8.360 nan 0.000 0.453 44 T N -1.287 113.322 114.554 0.091 0.000 2.897 44 T HA -0.195 4.155 4.350 -0.000 0.000 0.271 44 T C 1.974 176.672 174.700 -0.003 0.000 1.084 44 T CA 1.324 63.448 62.100 0.041 0.000 1.123 44 T CB -0.546 68.330 68.868 0.013 0.000 0.865 44 T HN 0.234 nan 8.240 nan 0.000 0.496 45 S N 0.735 116.405 115.700 -0.051 0.000 2.382 45 S HA -0.122 4.348 4.470 -0.000 0.000 0.228 45 S C 1.785 176.234 174.600 -0.253 0.000 1.027 45 S CA 0.677 58.750 58.200 -0.212 0.000 0.991 45 S CB -0.919 62.051 63.200 -0.382 0.000 0.823 45 S HN 0.653 nan 8.310 nan 0.000 0.469 46 Y N 2.709 122.971 120.300 -0.063 0.000 2.201 46 Y HA 0.023 4.573 4.550 -0.000 0.000 0.292 46 Y C 3.393 179.272 175.900 -0.035 0.000 1.119 46 Y CA 1.317 59.387 58.100 -0.049 0.000 1.127 46 Y CB -1.107 37.329 38.460 -0.039 0.000 1.019 46 Y HN 0.486 nan 8.280 nan 0.000 0.514 47 T N -1.638 113.000 114.554 0.140 0.000 2.857 47 T HA -0.063 4.286 4.350 -0.000 0.000 0.266 47 T C 1.235 175.952 174.700 0.029 0.000 1.048 47 T CA 1.125 63.267 62.100 0.069 0.000 1.139 47 T CB -0.103 68.799 68.868 0.056 0.000 0.874 47 T HN 0.194 nan 8.240 nan 0.000 0.455 48 K N 0.873 121.280 120.400 0.010 0.000 2.413 48 K HA 0.633 4.953 4.320 -0.000 0.000 0.204 48 K C 0.924 177.505 176.600 -0.031 0.000 1.041 48 K CA 0.274 56.555 56.287 -0.009 0.000 1.082 48 K CB 0.826 33.322 32.500 -0.008 0.000 0.871 48 K HN 0.379 nan 8.250 nan 0.000 0.535 49 A N 2.684 125.473 122.820 -0.052 0.000 2.799 49 A HA -0.203 4.117 4.320 -0.000 0.000 0.287 49 A C -0.093 177.442 177.584 -0.081 0.000 1.484 49 A CA 1.250 53.239 52.037 -0.081 0.000 0.813 49 A CB -2.058 16.905 19.000 -0.061 0.000 1.009 49 A HN 0.522 nan 8.150 nan 0.000 0.545 50 D N -0.065 120.288 120.400 -0.078 0.000 2.336 50 D HA 0.365 5.005 4.640 -0.000 0.000 0.249 50 D C 0.883 177.121 176.300 -0.102 0.000 1.213 50 D CA -0.234 53.723 54.000 -0.073 0.000 0.870 50 D CB 0.234 41.002 40.800 -0.053 0.000 1.076 50 D HN 0.237 nan 8.370 nan 0.000 0.483 51 N N 1.736 120.377 118.700 -0.097 0.000 2.398 51 N HA -0.096 4.644 4.740 -0.000 0.000 0.188 51 N C 1.516 176.972 175.510 -0.089 0.000 1.122 51 N CA 0.276 53.259 53.050 -0.112 0.000 0.866 51 N CB 0.181 38.609 38.487 -0.097 0.000 0.970 51 N HN 0.508 nan 8.380 nan 0.000 0.462 52 S N -0.062 115.591 115.700 -0.078 0.000 2.419 52 S HA -0.112 4.357 4.470 -0.000 0.000 0.233 52 S C 1.897 176.434 174.600 -0.105 0.000 1.016 52 S CA 1.171 59.325 58.200 -0.076 0.000 0.974 52 S CB -0.627 62.531 63.200 -0.069 0.000 0.786 52 S HN 0.170 nan 8.310 nan 0.000 0.492 53 V N -1.716 118.132 119.914 -0.111 0.000 3.608 53 V HA 0.419 4.539 4.120 -0.000 0.000 0.269 53 V C 0.514 176.644 176.094 0.059 0.000 1.245 53 V CA -0.400 61.830 62.300 -0.117 0.000 1.138 53 V CB -0.816 30.974 31.823 -0.056 0.000 0.841 53 V HN 0.317 nan 8.190 nan 0.000 0.451 54 I N 2.329 122.872 120.570 -0.045 0.000 2.337 54 I HA 0.247 4.417 4.170 -0.000 0.000 0.291 54 I C 0.178 176.306 176.117 0.018 0.000 1.046 54 I CA -0.519 60.740 61.300 -0.069 0.000 1.324 54 I CB 1.043 38.906 38.000 -0.227 0.000 1.409 54 I HN -0.020 nan 8.210 nan 0.000 0.494 55 V N 7.185 127.148 119.914 0.082 0.000 2.439 55 V HA 0.227 4.347 4.120 -0.000 0.000 0.271 55 V C 1.077 177.239 176.094 0.113 0.000 1.040 55 V CA -0.723 61.580 62.300 0.004 0.000 1.002 55 V CB 0.631 32.335 31.823 -0.198 0.000 1.000 55 V HN 0.881 nan 8.190 nan 0.000 0.477 56 A N 4.417 127.280 122.820 0.072 0.000 2.555 56 A HA 0.213 4.533 4.320 -0.000 0.000 0.233 56 A C 1.716 179.354 177.584 0.091 0.000 1.060 56 A CA 0.560 52.646 52.037 0.081 0.000 0.759 56 A CB 0.093 19.122 19.000 0.048 0.000 0.995 56 A HN 1.129 nan 8.150 nan 0.000 0.506 57 T N -0.802 113.811 114.554 0.099 0.000 2.915 57 T HA -0.177 4.172 4.350 -0.000 0.000 0.269 57 T C 1.222 175.929 174.700 0.012 0.000 1.071 57 T CA 1.927 64.051 62.100 0.040 0.000 1.132 57 T CB -0.426 68.472 68.868 0.049 0.000 0.878 57 T HN 0.728 nan 8.240 nan 0.000 0.479 58 D N 1.142 121.561 120.400 0.032 0.000 2.144 58 D HA -0.074 4.566 4.640 -0.000 0.000 0.199 58 D C 2.193 178.519 176.300 0.043 0.000 0.984 58 D CA 1.235 55.255 54.000 0.033 0.000 0.834 58 D CB -0.227 40.598 40.800 0.042 0.000 0.955 58 D HN 0.433 nan 8.370 nan 0.000 0.465 59 S N -0.583 115.154 115.700 0.061 0.000 2.406 59 S HA -0.058 4.412 4.470 -0.000 0.000 0.228 59 S C 2.016 176.685 174.600 0.114 0.000 1.020 59 S CA 0.397 58.653 58.200 0.094 0.000 0.965 59 S CB -0.163 63.108 63.200 0.119 0.000 0.798 59 S HN 0.327 nan 8.310 nan 0.000 0.488 60 I N 1.786 122.406 120.570 0.083 0.000 2.226 60 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 60 I C 2.543 178.672 176.117 0.021 0.000 1.100 60 I CA 1.257 62.613 61.300 0.093 0.000 1.374 60 I CB -0.256 37.669 38.000 -0.126 0.000 1.057 60 I HN 0.247 nan 8.210 nan 0.000 0.413 61 K N 1.041 121.403 120.400 -0.063 0.000 2.032 61 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 61 K C 1.963 178.394 176.600 -0.283 0.000 1.048 61 K CA 1.885 58.048 56.287 -0.206 0.000 0.927 61 K CB -0.112 32.298 32.500 -0.149 0.000 0.712 61 K HN 0.245 nan 8.250 nan 0.000 0.441 62 N N 0.388 119.053 118.700 -0.058 0.000 2.104 62 N HA -0.134 4.606 4.740 -0.000 0.000 0.190 62 N C 1.713 177.240 175.510 0.028 0.000 1.024 62 N CA 1.976 55.062 53.050 0.059 0.000 0.853 62 N CB -0.842 37.704 38.487 0.098 0.000 1.008 62 N HN 0.283 nan 8.380 nan 0.000 0.424 63 T N 1.638 116.199 114.554 0.012 0.000 2.788 63 T HA -0.004 4.346 4.350 -0.000 0.000 0.268 63 T C 2.093 176.748 174.700 -0.075 0.000 1.044 63 T CA 0.595 62.658 62.100 -0.062 0.000 1.139 63 T CB -0.161 68.669 68.868 -0.063 0.000 0.867 63 T HN 0.204 nan 8.240 nan 0.000 0.454 64 I N -0.029 120.504 120.570 -0.063 0.000 2.179 64 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 64 I C 2.186 178.353 176.117 0.083 0.000 1.088 64 I CA 1.459 62.739 61.300 -0.035 0.000 1.357 64 I CB -0.391 37.525 38.000 -0.139 0.000 1.051 64 I HN 0.209 nan 8.210 nan 0.000 0.409 65 Y N 0.526 120.878 120.300 0.086 0.000 2.181 65 Y HA -0.188 4.362 4.550 -0.000 0.000 0.288 65 Y C 2.399 178.324 175.900 0.043 0.000 1.146 65 Y CA 1.050 59.189 58.100 0.066 0.000 1.164 65 Y CB -0.892 37.597 38.460 0.049 0.000 0.982 65 Y HN 0.100 nan 8.280 nan 0.000 0.515 66 I N -0.789 119.886 120.570 0.175 0.000 2.252 66 I HA -0.282 3.887 4.170 -0.000 0.000 0.245 66 I C 2.151 178.295 176.117 0.046 0.000 1.102 66 I CA 1.686 63.032 61.300 0.077 0.000 1.385 66 I CB -0.545 37.463 38.000 0.013 0.000 1.064 66 I HN 0.154 nan 8.210 nan 0.000 0.414 67 T N 0.560 115.132 114.554 0.031 0.000 2.788 67 T HA -0.131 4.218 4.350 -0.000 0.000 0.268 67 T C 1.981 176.819 174.700 0.230 0.000 1.044 67 T CA 1.371 63.509 62.100 0.063 0.000 1.139 67 T CB -0.267 68.592 68.868 -0.014 0.000 0.867 67 T HN 0.467 nan 8.240 nan 0.000 0.454 68 A N 1.309 124.280 122.820 0.251 0.000 2.014 68 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 68 A C 2.169 179.756 177.584 0.004 0.000 1.163 68 A CA 1.606 53.676 52.037 0.054 0.000 0.652 68 A CB -0.365 18.636 19.000 0.002 0.000 0.808 68 A HN 0.358 nan 8.150 nan 0.000 0.449 69 K N 0.308 120.739 120.400 0.051 0.000 2.103 69 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 69 K C 1.782 178.390 176.600 0.014 0.000 1.052 69 K CA 1.749 58.052 56.287 0.026 0.000 0.945 69 K CB -0.244 32.278 32.500 0.036 0.000 0.722 69 K HN 0.576 nan 8.250 nan 0.000 0.443 70 Q N -0.102 119.712 119.800 0.023 0.000 2.319 70 Q HA 0.169 4.508 4.340 -0.000 0.000 0.202 70 Q C -0.368 175.641 176.000 0.014 0.000 0.896 70 Q CA 0.046 55.857 55.803 0.013 0.000 0.942 70 Q CB 0.461 29.203 28.738 0.007 0.000 1.083 70 Q HN 0.242 nan 8.270 nan 0.000 0.510 71 N N 0.710 119.424 118.700 0.024 0.000 2.455 71 N HA 0.365 5.105 4.740 -0.000 0.000 0.278 71 N C -2.958 172.531 175.510 -0.036 0.000 1.291 71 N CA -1.623 51.441 53.050 0.023 0.000 0.780 71 N CB 1.817 40.362 38.487 0.098 0.000 1.520 71 N HN -0.224 nan 8.380 nan 0.000 0.486 72 P HA 0.026 nan 4.420 nan 0.000 0.268 72 P C 0.917 178.075 177.300 -0.238 0.000 1.204 72 P CA -0.176 62.828 63.100 -0.160 0.000 0.768 72 P CB 0.562 32.186 31.700 -0.126 0.000 0.842 73 V N -0.373 119.251 119.914 -0.483 0.000 3.647 73 V HA 0.209 4.329 4.120 -0.000 0.000 0.279 73 V C 0.625 176.416 176.094 -0.506 0.000 1.314 73 V CA 0.461 62.328 62.300 -0.722 0.000 1.125 73 V CB -0.358 30.924 31.823 -0.901 0.000 0.907 73 V HN 0.551 nan 8.190 nan 0.000 0.434 74 T N 2.124 116.403 114.554 -0.458 0.000 2.900 74 T HA 0.610 4.960 4.350 -0.000 0.000 0.295 74 T C -2.973 171.619 174.700 -0.179 0.000 1.044 74 T CA -1.466 60.424 62.100 -0.350 0.000 0.995 74 T CB 2.169 70.703 68.868 -0.556 0.000 1.072 74 T HN 0.291 nan 8.240 nan 0.000 0.473 75 P HA 0.302 nan 4.420 nan 0.000 0.274 75 P C -2.165 175.058 177.300 -0.128 0.000 1.237 75 P CA -1.429 61.619 63.100 -0.087 0.000 0.793 75 P CB 0.354 32.073 31.700 0.032 0.000 0.977 76 P HA -0.169 nan 4.420 nan 0.000 0.219 76 P C 1.098 178.310 177.300 -0.146 0.000 1.146 76 P CA 1.435 64.491 63.100 -0.074 0.000 0.808 76 P CB 0.154 31.805 31.700 -0.083 0.000 0.779 77 E N -0.468 119.529 120.200 -0.338 0.000 2.110 77 E HA -0.147 4.202 4.350 -0.000 0.000 0.193 77 E C 1.947 178.252 176.600 -0.492 0.000 0.988 77 E CA 0.742 56.785 56.400 -0.595 0.000 0.804 77 E CB -0.909 27.919 29.700 -1.453 0.000 0.745 77 E HN 0.165 nan 8.360 nan 0.000 0.458 78 L N -0.403 120.603 121.223 -0.362 0.000 2.068 78 L HA -0.015 4.325 4.340 -0.000 0.000 0.204 78 L C 1.949 178.762 176.870 -0.096 0.000 1.076 78 L CA 1.433 56.155 54.840 -0.197 0.000 0.753 78 L CB -0.603 41.399 42.059 -0.095 0.000 0.910 78 L HN 0.099 nan 8.230 nan 0.000 0.439 79 F N 0.931 120.770 119.950 -0.185 0.000 2.091 79 F HA -0.117 4.410 4.527 -0.000 0.000 0.299 79 F C 2.203 177.934 175.800 -0.114 0.000 1.103 79 F CA 1.737 59.651 58.000 -0.143 0.000 1.228 79 F CB -1.101 37.811 39.000 -0.146 0.000 0.984 79 F HN 0.162 nan 8.300 nan 0.000 0.477 80 G N -1.270 107.358 108.800 -0.287 0.000 2.422 80 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 80 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 80 G C 1.825 176.573 174.900 -0.253 0.000 1.146 80 G CA 0.942 45.852 45.100 -0.316 0.000 0.769 80 G HN 0.438 nan 8.290 nan 0.000 0.547 81 S N 0.359 115.935 115.700 -0.206 0.000 2.383 81 S HA 0.014 4.483 4.470 -0.000 0.000 0.227 81 S C 2.262 176.778 174.600 -0.139 0.000 1.026 81 S CA 0.614 58.727 58.200 -0.144 0.000 0.981 81 S CB -0.157 62.960 63.200 -0.139 0.000 0.818 81 S HN 0.378 nan 8.310 nan 0.000 0.472 82 I N 0.987 121.453 120.570 -0.173 0.000 2.179 82 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 82 I C 2.296 178.307 176.117 -0.176 0.000 1.088 82 I CA 0.849 62.060 61.300 -0.148 0.000 1.357 82 I CB -0.288 37.644 38.000 -0.113 0.000 1.051 82 I HN 0.235 nan 8.210 nan 0.000 0.409 83 L N 1.071 122.100 121.223 -0.323 0.000 2.046 83 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 83 L C 2.334 179.207 176.870 0.005 0.000 1.077 83 L CA 2.233 56.918 54.840 -0.257 0.000 0.747 83 L CB -1.229 40.549 42.059 -0.469 0.000 0.896 83 L HN 0.198 nan 8.230 nan 0.000 0.432 84 G N -2.254 106.531 108.800 -0.025 0.000 2.402 84 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 84 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 84 G C 1.461 176.400 174.900 0.065 0.000 1.162 84 G CA 1.074 46.207 45.100 0.054 0.000 0.777 84 G HN 0.410 nan 8.290 nan 0.000 0.539 85 T N -0.069 114.484 114.554 -0.002 0.000 2.788 85 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 85 T C 1.987 176.669 174.700 -0.030 0.000 1.044 85 T CA 1.624 63.714 62.100 -0.015 0.000 1.139 85 T CB -0.305 68.541 68.868 -0.036 0.000 0.867 85 T HN 0.615 nan 8.240 nan 0.000 0.454 86 H N 0.455 119.440 119.070 -0.141 0.000 2.290 86 H HA -0.095 4.461 4.556 -0.000 0.000 0.298 86 H C 1.805 176.982 175.328 -0.253 0.000 1.087 86 H CA 1.827 57.718 56.048 -0.261 0.000 1.291 86 H CB -0.534 28.965 29.762 -0.438 0.000 1.369 86 H HN 0.361 nan 8.280 nan 0.000 0.492 87 F N 0.583 120.536 119.950 0.005 0.000 2.134 87 F HA -0.141 4.386 4.527 0.000 0.000 0.299 87 F C 2.598 178.394 175.800 -0.007 0.000 1.097 87 F CA 1.480 59.515 58.000 0.058 0.000 1.264 87 F CB -0.545 38.509 39.000 0.089 0.000 1.001 87 F HN 0.377 nan 8.300 nan 0.000 0.479 88 I N -1.884 118.750 120.570 0.108 0.000 2.546 88 I HA -0.116 4.054 4.170 -0.000 0.000 0.255 88 I C 1.748 177.857 176.117 -0.013 0.000 1.163 88 I CA 1.576 62.907 61.300 0.051 0.000 1.457 88 I CB -0.580 37.445 38.000 0.043 0.000 1.092 88 I HN 0.113 nan 8.210 nan 0.000 0.434 89 E N 1.123 121.261 120.200 -0.104 0.000 2.299 89 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 89 E C 1.767 178.215 176.600 -0.253 0.000 0.998 89 E CA 0.463 56.773 56.400 -0.150 0.000 0.851 89 E CB 0.199 29.807 29.700 -0.154 0.000 0.795 89 E HN 0.389 nan 8.360 nan 0.000 0.492 90 K N -0.073 120.067 120.400 -0.433 0.000 2.284 90 K HA 0.018 4.338 4.320 -0.000 0.000 0.198 90 K C -0.512 175.653 176.600 -0.724 0.000 1.048 90 K CA 0.591 56.456 56.287 -0.703 0.000 0.987 90 K CB 0.357 32.147 32.500 -1.183 0.000 0.800 90 K HN -0.067 nan 8.250 nan 0.000 0.486 91 Y N 0.963 121.222 120.300 -0.069 0.000 2.326 91 Y HA 0.349 4.899 4.550 -0.000 0.000 0.331 91 Y C 0.449 176.358 175.900 0.015 0.000 0.962 91 Y CA -1.159 56.950 58.100 0.015 0.000 1.167 91 Y CB 1.570 40.023 38.460 -0.012 0.000 1.148 91 Y HN -0.080 nan 8.280 nan 0.000 0.463 92 N N 1.107 119.943 118.700 0.226 0.000 2.166 92 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 92 N C 1.549 177.180 175.510 0.201 0.000 1.019 92 N CA 1.412 54.574 53.050 0.188 0.000 0.856 92 N CB -0.200 38.388 38.487 0.168 0.000 0.993 92 N HN 0.778 nan 8.380 nan 0.000 0.426 93 H N -0.611 118.477 119.070 0.030 0.000 2.539 93 H HA 0.164 4.720 4.556 -0.000 0.000 0.267 93 H C -0.073 175.001 175.328 -0.424 0.000 0.982 93 H CA -0.086 55.886 56.048 -0.125 0.000 1.146 93 H CB 0.045 29.789 29.762 -0.031 0.000 1.382 93 H HN -0.006 nan 8.280 nan 0.000 0.577 94 I N 2.682 122.877 120.570 -0.625 0.000 2.339 94 I HA 0.105 4.275 4.170 -0.000 0.000 0.290 94 I C 0.361 176.282 176.117 -0.327 0.000 0.994 94 I CA -0.592 60.403 61.300 -0.510 0.000 1.191 94 I CB 1.383 39.222 38.000 -0.269 0.000 1.343 94 I HN 0.241 nan 8.210 nan 0.000 0.458 95 H N 4.300 123.353 119.070 -0.027 0.000 2.885 95 H HA 0.495 5.051 4.556 -0.000 0.000 0.260 95 H C 0.375 175.683 175.328 -0.032 0.000 0.985 95 H CA 0.042 56.083 56.048 -0.011 0.000 1.210 95 H CB 1.191 30.959 29.762 0.010 0.000 1.466 95 H HN 0.613 nan 8.280 nan 0.000 0.493 96 A N 0.712 123.544 122.820 0.019 0.000 2.455 96 A HA 0.759 5.079 4.320 -0.000 0.000 0.300 96 A C -1.043 176.382 177.584 -0.264 0.000 1.040 96 A CA -0.172 51.793 52.037 -0.121 0.000 0.697 96 A CB 1.460 20.418 19.000 -0.069 0.000 1.265 96 A HN 0.218 nan 8.150 nan 0.000 0.407 97 A N 2.245 124.831 122.820 -0.390 0.000 2.356 97 A HA 0.756 5.076 4.320 -0.000 0.000 0.310 97 A C -1.023 176.214 177.584 -0.578 0.000 1.075 97 A CA -0.548 51.264 52.037 -0.377 0.000 0.746 97 A CB 0.781 19.703 19.000 -0.131 0.000 1.221 97 A HN 0.836 nan 8.150 nan 0.000 0.443 98 H N 2.083 121.086 119.070 -0.111 0.000 2.638 98 H HA 0.450 5.006 4.556 -0.000 0.000 0.317 98 H C -1.006 174.254 175.328 -0.114 0.000 1.006 98 H CA -0.399 55.593 56.048 -0.093 0.000 1.222 98 H CB 1.442 31.152 29.762 -0.087 0.000 1.419 98 H HN 0.343 nan 8.280 nan 0.000 0.489 99 V N 3.741 123.635 119.914 -0.033 0.000 2.435 99 V HA 0.194 4.314 4.120 -0.000 0.000 0.290 99 V C 0.235 176.301 176.094 -0.046 0.000 1.030 99 V CA -0.808 61.454 62.300 -0.064 0.000 0.881 99 V CB 1.833 33.593 31.823 -0.105 0.000 0.983 99 V HN 0.680 nan 8.190 nan 0.000 0.445 100 N N 3.660 122.332 118.700 -0.046 0.000 2.314 100 N HA 0.697 5.437 4.740 -0.000 0.000 0.294 100 N C -1.355 174.133 175.510 -0.037 0.000 1.029 100 N CA -0.477 52.547 53.050 -0.043 0.000 0.845 100 N CB 1.383 39.846 38.487 -0.040 0.000 1.321 100 N HN 0.647 nan 8.380 nan 0.000 0.481 101 I N 2.879 123.424 120.570 -0.043 0.000 2.499 101 I HA 0.344 4.513 4.170 -0.000 0.000 0.288 101 I C -0.833 175.241 176.117 -0.071 0.000 1.048 101 I CA -1.123 60.161 61.300 -0.026 0.000 1.062 101 I CB 2.060 40.068 38.000 0.012 0.000 1.238 101 I HN 0.181 nan 8.210 nan 0.000 0.426 102 V N 5.117 124.973 119.914 -0.097 0.000 2.370 102 V HA 0.284 4.404 4.120 -0.000 0.000 0.283 102 V C -0.176 175.717 176.094 -0.335 0.000 1.023 102 V CA -0.465 61.711 62.300 -0.206 0.000 0.857 102 V CB 1.341 33.034 31.823 -0.217 0.000 0.985 102 V HN 0.800 nan 8.190 nan 0.000 0.443 103 C N 4.803 123.919 119.300 -0.306 0.000 2.330 103 C HA 0.567 5.027 4.460 -0.000 0.000 0.344 103 C C 0.292 175.060 174.990 -0.370 0.000 1.273 103 C CA -0.799 58.054 59.018 -0.275 0.000 1.879 103 C CB -0.479 27.164 27.740 -0.162 0.000 2.376 103 C HN 0.881 nan 8.230 nan 0.000 0.534 104 H N 0.572 119.598 119.070 -0.075 0.000 2.463 104 H HA 0.458 5.013 4.556 -0.000 0.000 0.332 104 H C 0.086 175.259 175.328 -0.259 0.000 1.127 104 H CA -0.385 55.560 56.048 -0.172 0.000 1.238 104 H CB 0.762 30.402 29.762 -0.203 0.000 1.478 104 H HN 0.505 nan 8.280 nan 0.000 0.499 105 R N 1.980 122.365 120.500 -0.192 0.000 2.389 105 R HA 0.105 4.445 4.340 -0.000 0.000 0.295 105 R C -0.988 175.067 176.300 -0.410 0.000 1.075 105 R CA 0.076 56.059 56.100 -0.195 0.000 1.005 105 R CB 0.631 30.876 30.300 -0.092 0.000 0.987 105 R HN 0.627 nan 8.270 nan 0.000 0.452 106 W N 2.086 123.396 121.300 0.016 0.000 2.517 106 W HA 0.209 4.869 4.660 -0.000 0.000 0.301 106 W C -0.578 176.010 176.519 0.115 0.000 1.002 106 W CA -0.632 56.725 57.345 0.022 0.000 1.415 106 W CB 2.039 31.381 29.460 -0.196 0.000 1.275 106 W HN 0.387 nan 8.180 nan 0.000 0.413 107 T N 3.254 118.053 114.554 0.407 0.000 2.799 107 T HA 0.261 4.611 4.350 -0.000 0.000 0.286 107 T C 0.272 175.215 174.700 0.404 0.000 0.973 107 T CA -0.649 61.651 62.100 0.333 0.000 1.035 107 T CB 0.930 69.918 68.868 0.201 0.000 0.932 107 T HN 0.247 nan 8.240 nan 0.000 0.469 108 R N 3.437 124.148 120.500 0.353 0.000 2.538 108 R HA 0.122 4.462 4.340 -0.000 0.000 0.282 108 R C 0.169 176.481 176.300 0.021 0.000 1.009 108 R CA 0.100 56.260 56.100 0.099 0.000 1.063 108 R CB 0.226 30.568 30.300 0.069 0.000 0.945 108 R HN 0.620 nan 8.270 nan 0.000 0.414 109 M N 3.074 122.624 119.600 -0.082 0.000 2.238 109 M HA 0.032 4.511 4.480 -0.000 0.000 0.347 109 M C -0.408 175.882 176.300 -0.016 0.000 1.173 109 M CA 0.359 55.638 55.300 -0.034 0.000 1.147 109 M CB 0.855 33.404 32.600 -0.086 0.000 1.547 109 M HN 0.460 nan 8.290 nan 0.000 0.455 110 D N 4.040 124.443 120.400 0.005 0.000 2.317 110 D HA 0.348 4.988 4.640 -0.000 0.000 0.234 110 D C -0.665 175.639 176.300 0.007 0.000 1.112 110 D CA -0.027 53.978 54.000 0.009 0.000 0.840 110 D CB 1.110 41.919 40.800 0.015 0.000 1.078 110 D HN 0.286 nan 8.370 nan 0.000 0.486 111 I N 2.329 122.909 120.570 0.017 0.000 2.362 111 I HA 0.093 4.263 4.170 -0.000 0.000 0.289 111 I C 0.220 176.346 176.117 0.015 0.000 0.994 111 I CA -0.367 60.943 61.300 0.016 0.000 1.158 111 I CB 1.436 39.461 38.000 0.041 0.000 1.315 111 I HN 0.299 nan 8.210 nan 0.000 0.451 112 D N 5.160 125.565 120.400 0.008 0.000 2.837 112 D HA -0.181 4.459 4.640 -0.000 0.000 0.230 112 D C 1.181 177.484 176.300 0.004 0.000 1.152 112 D CA 1.625 55.629 54.000 0.005 0.000 0.736 112 D CB -1.006 39.798 40.800 0.005 0.000 1.084 112 D HN 1.130 nan 8.370 nan 0.000 0.429 113 G N -0.450 108.353 108.800 0.005 0.000 2.136 113 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.242 113 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.242 113 G C 0.068 174.969 174.900 0.001 0.000 0.989 113 G CA 0.701 45.804 45.100 0.005 0.000 0.682 113 G HN 0.677 nan 8.290 nan 0.000 0.522 114 K N -0.475 119.924 120.400 -0.002 0.000 2.464 114 K HA 0.627 4.947 4.320 -0.000 0.000 0.253 114 K C -3.344 173.245 176.600 -0.019 0.000 0.933 114 K CA -2.385 53.894 56.287 -0.014 0.000 0.801 114 K CB 3.086 35.570 32.500 -0.026 0.000 1.271 114 K HN 0.006 nan 8.250 nan 0.000 0.430 115 P HA -0.028 nan 4.420 nan 0.000 0.267 115 P C -0.431 176.813 177.300 -0.092 0.000 1.209 115 P CA 0.218 63.297 63.100 -0.035 0.000 0.763 115 P CB 0.216 31.902 31.700 -0.024 0.000 0.816 116 H N 6.551 125.517 119.070 -0.173 0.000 2.764 116 H HA 0.059 4.615 4.556 0.000 0.000 0.341 116 H C -1.135 174.006 175.328 -0.311 0.000 1.072 116 H CA -1.214 54.679 56.048 -0.258 0.000 1.444 116 H CB 1.010 30.587 29.762 -0.307 0.000 1.458 116 H HN 0.289 nan 8.280 nan 0.000 0.572 117 P HA -0.088 nan 4.420 nan 0.000 0.226 117 P C 0.222 177.414 177.300 -0.180 0.000 1.153 117 P CA 1.415 64.293 63.100 -0.369 0.000 0.777 117 P CB 0.273 31.766 31.700 -0.345 0.000 0.794 118 H N -3.940 115.109 119.070 -0.035 0.000 3.346 118 H HA 0.431 4.986 4.556 -0.001 0.000 0.253 118 H C -0.850 174.347 175.328 -0.218 0.000 1.204 118 H CA -0.388 55.643 56.048 -0.029 0.000 0.996 118 H CB -0.178 29.650 29.762 0.109 0.000 2.713 118 H HN -0.188 nan 8.280 nan 0.000 0.690 119 S N 1.138 116.537 115.700 -0.502 0.000 2.500 119 S HA 0.656 5.126 4.470 -0.000 0.000 0.301 119 S C -0.966 173.124 174.600 -0.850 0.000 1.092 119 S CA -0.475 57.437 58.200 -0.480 0.000 1.030 119 S CB 1.456 64.396 63.200 -0.434 0.000 1.031 119 S HN 0.256 nan 8.310 nan 0.000 0.483 120 F N 1.283 121.260 119.950 0.045 0.000 2.603 120 F HA 0.687 5.214 4.527 -0.001 0.000 0.317 120 F C -0.231 175.727 175.800 0.263 0.000 1.066 120 F CA -1.002 57.090 58.000 0.154 0.000 0.941 120 F CB 1.242 40.353 39.000 0.186 0.000 1.291 120 F HN 0.414 nan 8.300 nan 0.000 0.472 121 I N 1.267 122.143 120.570 0.510 0.000 2.730 121 I HA 0.546 4.715 4.170 -0.000 0.000 0.298 121 I C -0.837 175.480 176.117 0.333 0.000 1.089 121 I CA -1.116 60.423 61.300 0.398 0.000 1.041 121 I CB 1.785 39.906 38.000 0.202 0.000 1.235 121 I HN 0.642 nan 8.210 nan 0.000 0.423 122 R N 5.172 125.757 120.500 0.142 0.000 2.419 122 R HA 0.160 4.500 4.340 -0.000 0.000 0.305 122 R C 0.347 176.616 176.300 -0.052 0.000 1.242 122 R CA -0.183 55.804 56.100 -0.189 0.000 1.105 122 R CB -0.089 29.973 30.300 -0.397 0.000 1.116 122 R HN 0.708 nan 8.270 nan 0.000 0.523 123 D N 0.990 121.387 120.400 -0.006 0.000 2.083 123 D HA -0.074 4.565 4.640 -0.000 0.000 0.199 123 D C 0.022 176.321 176.300 -0.001 0.000 0.980 123 D CA 0.743 54.756 54.000 0.022 0.000 0.851 123 D CB -0.446 40.387 40.800 0.055 0.000 0.997 123 D HN 0.327 nan 8.370 nan 0.000 0.449 124 S N -0.723 114.975 115.700 -0.003 0.000 2.730 124 S HA 0.203 4.672 4.470 -0.000 0.000 0.284 124 S C 0.560 175.143 174.600 -0.029 0.000 1.153 124 S CA -0.546 57.651 58.200 -0.005 0.000 0.995 124 S CB 1.350 64.563 63.200 0.021 0.000 1.058 124 S HN 0.096 nan 8.310 nan 0.000 0.552 125 E N 1.070 121.260 120.200 -0.016 0.000 2.465 125 E HA 0.076 4.426 4.350 -0.000 0.000 0.191 125 E C 0.228 176.831 176.600 0.005 0.000 1.053 125 E CA 0.004 56.397 56.400 -0.012 0.000 0.869 125 E CB -0.106 29.590 29.700 -0.007 0.000 0.977 125 E HN 0.607 nan 8.360 nan 0.000 0.483 126 E N 1.861 122.070 120.200 0.016 0.000 2.414 126 E HA -0.025 4.325 4.350 -0.000 0.000 0.263 126 E C -0.322 176.299 176.600 0.035 0.000 1.000 126 E CA 0.171 56.595 56.400 0.040 0.000 0.914 126 E CB 0.505 30.249 29.700 0.074 0.000 0.948 126 E HN -0.266 nan 8.360 nan 0.000 0.444 127 K N 3.587 124.004 120.400 0.028 0.000 2.221 127 K HA 0.399 4.719 4.320 -0.000 0.000 0.243 127 K C -0.413 176.206 176.600 0.032 0.000 0.968 127 K CA -0.829 55.444 56.287 -0.023 0.000 0.846 127 K CB 1.705 34.156 32.500 -0.081 0.000 1.141 127 K HN 0.525 nan 8.250 nan 0.000 0.434 128 R N 1.718 122.191 120.500 -0.045 0.000 2.439 128 R HA 0.338 4.678 4.340 -0.000 0.000 0.310 128 R C -1.115 175.120 176.300 -0.109 0.000 0.955 128 R CA -0.310 55.765 56.100 -0.042 0.000 0.853 128 R CB 0.642 30.787 30.300 -0.260 0.000 1.171 128 R HN 0.705 nan 8.270 nan 0.000 0.449 129 N N 1.819 120.463 118.700 -0.094 0.000 2.381 129 N HA 0.559 5.299 4.740 -0.000 0.000 0.294 129 N C -1.407 174.023 175.510 -0.133 0.000 1.216 129 N CA -0.865 52.114 53.050 -0.118 0.000 0.803 129 N CB 2.582 41.001 38.487 -0.114 0.000 1.372 129 N HN 0.359 nan 8.380 nan 0.000 0.500 130 V N -2.095 117.749 119.914 -0.116 0.000 2.925 130 V HA 0.591 4.710 4.120 -0.000 0.000 0.311 130 V C -1.289 174.751 176.094 -0.091 0.000 1.104 130 V CA -0.792 61.439 62.300 -0.114 0.000 0.954 130 V CB 1.832 33.584 31.823 -0.117 0.000 1.022 130 V HN 0.766 nan 8.190 nan 0.000 0.427 131 Q N 2.298 122.051 119.800 -0.078 0.000 2.325 131 Q HA 0.767 5.107 4.340 -0.000 0.000 0.270 131 Q C -2.048 173.936 176.000 -0.026 0.000 1.020 131 Q CA -0.622 55.152 55.803 -0.049 0.000 0.785 131 Q CB 2.305 31.015 28.738 -0.046 0.000 1.259 131 Q HN 0.855 nan 8.270 nan 0.000 0.452 132 V N 4.093 123.992 119.914 -0.026 0.000 2.444 132 V HA 0.391 4.510 4.120 -0.000 0.000 0.294 132 V C -0.967 175.120 176.094 -0.012 0.000 1.022 132 V CA -0.770 61.516 62.300 -0.023 0.000 0.850 132 V CB 1.909 33.689 31.823 -0.071 0.000 0.992 132 V HN 0.797 nan 8.190 nan 0.000 0.426 133 D N 3.750 124.156 120.400 0.011 0.000 2.425 133 D HA 0.448 5.087 4.640 -0.000 0.000 0.240 133 D C -0.731 175.537 176.300 -0.053 0.000 1.080 133 D CA -0.130 53.860 54.000 -0.017 0.000 0.836 133 D CB 2.524 43.384 40.800 0.100 0.000 1.125 133 D HN 0.259 nan 8.370 nan 0.000 0.525 134 V N 2.809 122.645 119.914 -0.129 0.000 2.334 134 V HA 0.311 4.431 4.120 -0.000 0.000 0.281 134 V C 0.099 176.138 176.094 -0.090 0.000 1.016 134 V CA -0.701 61.555 62.300 -0.074 0.000 0.832 134 V CB 1.761 33.549 31.823 -0.060 0.000 0.999 134 V HN 0.247 nan 8.190 nan 0.000 0.439 135 V N 3.895 123.789 119.914 -0.033 0.000 2.407 135 V HA 0.327 4.447 4.120 -0.000 0.000 0.291 135 V C 0.307 176.408 176.094 0.013 0.000 1.018 135 V CA -0.816 61.478 62.300 -0.011 0.000 0.842 135 V CB 1.724 33.554 31.823 0.012 0.000 0.996 135 V HN 0.943 nan 8.190 nan 0.000 0.426 136 E N 3.154 123.372 120.200 0.030 0.000 2.820 136 E HA 0.156 4.506 4.350 -0.000 0.000 0.251 136 E C 1.362 177.964 176.600 0.004 0.000 0.944 136 E CA 1.297 57.713 56.400 0.026 0.000 0.955 136 E CB 0.163 29.892 29.700 0.049 0.000 0.904 136 E HN 1.124 nan 8.360 nan 0.000 0.513 137 G N 4.228 113.032 108.800 0.006 0.000 2.184 137 G HA2 -0.341 3.618 3.960 -0.000 0.000 0.264 137 G HA3 -0.341 3.618 3.960 -0.000 0.000 0.264 137 G C 0.597 175.504 174.900 0.010 0.000 0.975 137 G CA 0.715 45.817 45.100 0.003 0.000 0.642 137 G HN 0.600 nan 8.290 nan 0.000 0.536 138 K N 0.021 120.431 120.400 0.016 0.000 2.506 138 K HA 0.490 4.809 4.320 -0.000 0.000 0.204 138 K C 1.485 178.105 176.600 0.034 0.000 1.045 138 K CA 0.287 56.587 56.287 0.022 0.000 1.074 138 K CB 0.986 33.497 32.500 0.019 0.000 0.842 138 K HN 1.264 nan 8.250 nan 0.000 0.514 139 G N 2.010 110.834 108.800 0.041 0.000 2.564 139 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.273 139 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.273 139 G C -0.340 174.601 174.900 0.068 0.000 1.242 139 G CA -0.383 44.755 45.100 0.065 0.000 0.951 139 G HN 0.188 nan 8.290 nan 0.000 0.564 140 I N 1.151 121.791 120.570 0.117 0.000 2.436 140 I HA 0.341 4.510 4.170 -0.000 0.000 0.289 140 I C -1.133 175.071 176.117 0.144 0.000 1.010 140 I CA -0.674 60.701 61.300 0.125 0.000 1.098 140 I CB 1.964 40.064 38.000 0.167 0.000 1.266 140 I HN 0.299 nan 8.210 nan 0.000 0.434 141 D N 7.761 128.216 120.400 0.091 0.000 2.256 141 D HA 0.577 5.216 4.640 -0.000 0.000 0.240 141 D C -0.415 175.950 176.300 0.107 0.000 1.062 141 D CA -0.048 54.001 54.000 0.081 0.000 0.832 141 D CB 2.509 43.340 40.800 0.051 0.000 1.135 141 D HN 0.290 nan 8.370 nan 0.000 0.484 142 I N 1.652 122.323 120.570 0.170 0.000 2.498 142 I HA 0.285 4.455 4.170 -0.000 0.000 0.290 142 I C -0.075 176.197 176.117 0.259 0.000 1.032 142 I CA -0.776 60.641 61.300 0.196 0.000 1.073 142 I CB 1.952 40.094 38.000 0.237 0.000 1.251 142 I HN -0.118 nan 8.210 nan 0.000 0.426 143 K N 3.725 124.187 120.400 0.104 0.000 2.323 143 K HA 0.558 4.878 4.320 -0.000 0.000 0.259 143 K C -0.956 175.564 176.600 -0.133 0.000 0.947 143 K CA -0.317 55.959 56.287 -0.018 0.000 0.819 143 K CB 2.017 34.472 32.500 -0.075 0.000 1.109 143 K HN 0.491 nan 8.250 nan 0.000 0.429 144 S N 1.012 116.483 115.700 -0.382 0.000 2.537 144 S HA 0.631 5.101 4.470 -0.000 0.000 0.301 144 S C -0.991 172.876 174.600 -1.221 0.000 1.092 144 S CA -0.818 56.998 58.200 -0.640 0.000 1.048 144 S CB 1.469 64.382 63.200 -0.478 0.000 1.053 144 S HN 0.674 nan 8.310 nan 0.000 0.501 145 S N 1.199 116.418 115.700 -0.801 0.000 2.607 145 S HA 0.792 5.262 4.470 -0.000 0.000 0.273 145 S C -1.346 173.175 174.600 -0.133 0.000 1.148 145 S CA -1.067 56.751 58.200 -0.637 0.000 0.833 145 S CB 0.817 63.816 63.200 -0.336 0.000 1.130 145 S HN 0.611 nan 8.310 nan 0.000 0.470 146 L N -0.612 120.663 121.223 0.086 0.000 2.346 146 L HA 1.024 5.364 4.340 -0.000 0.000 0.274 146 L C -0.393 176.534 176.870 0.095 0.000 1.007 146 L CA -0.549 54.434 54.840 0.239 0.000 0.818 146 L CB 1.702 44.003 42.059 0.403 0.000 1.284 146 L HN 1.035 nan 8.230 nan 0.000 0.424 147 S N -0.401 115.344 115.700 0.076 0.000 2.596 147 S HA 0.790 5.260 4.470 -0.000 0.000 0.270 147 S C 0.370 174.988 174.600 0.029 0.000 1.155 147 S CA -0.273 57.944 58.200 0.028 0.000 0.827 147 S CB 1.112 64.308 63.200 -0.008 0.000 1.130 147 S HN 2.269 nan 8.310 nan 0.000 0.467 148 G N -0.182 108.624 108.800 0.011 0.000 2.176 148 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.252 148 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.252 148 G C -0.366 174.536 174.900 0.005 0.000 1.024 148 G CA 0.303 45.406 45.100 0.004 0.000 0.755 148 G HN 1.363 nan 8.290 nan 0.000 0.507 149 L N 1.632 122.857 121.223 0.004 0.000 2.260 149 L HA 0.750 5.090 4.340 -0.000 0.000 0.289 149 L C 0.143 176.977 176.870 -0.060 0.000 1.057 149 L CA -0.139 54.693 54.840 -0.014 0.000 0.811 149 L CB 1.307 43.365 42.059 -0.001 0.000 1.184 149 L HN 0.069 nan 8.230 nan 0.000 0.429 150 T N 5.802 120.316 114.554 -0.067 0.000 2.791 150 T HA 0.660 5.009 4.350 -0.000 0.000 0.288 150 T C -0.486 174.138 174.700 -0.127 0.000 0.999 150 T CA -0.370 61.677 62.100 -0.089 0.000 0.952 150 T CB 1.127 69.968 68.868 -0.046 0.000 0.938 150 T HN 0.568 nan 8.240 nan 0.000 0.444 151 V N 2.092 121.873 119.914 -0.222 0.000 3.074 151 V HA 0.936 5.056 4.120 -0.000 0.000 0.314 151 V C -1.076 174.911 176.094 -0.178 0.000 1.117 151 V CA -1.215 60.914 62.300 -0.285 0.000 1.014 151 V CB 2.159 33.563 31.823 -0.697 0.000 1.057 151 V HN 0.813 nan 8.190 nan 0.000 0.438 152 L N 1.782 123.001 121.223 -0.008 0.000 2.513 152 L HA 0.730 5.070 4.340 -0.000 0.000 0.261 152 L C -1.061 175.922 176.870 0.188 0.000 0.945 152 L CA -0.475 54.412 54.840 0.078 0.000 0.848 152 L CB 2.049 44.071 42.059 -0.061 0.000 1.334 152 L HN 1.057 nan 8.230 nan 0.000 0.407 153 K N 1.327 121.824 120.400 0.161 0.000 2.378 153 K HA 0.492 4.812 4.320 -0.000 0.000 0.252 153 K C -0.199 176.348 176.600 -0.088 0.000 0.931 153 K CA -0.230 56.067 56.287 0.016 0.000 0.794 153 K CB 1.962 34.382 32.500 -0.133 0.000 1.181 153 K HN 0.527 nan 8.250 nan 0.000 0.425 154 S N 0.813 116.451 115.700 -0.103 0.000 2.528 154 S HA 0.018 4.488 4.470 -0.000 0.000 0.219 154 S C 0.649 175.187 174.600 -0.104 0.000 0.985 154 S CA 0.356 58.468 58.200 -0.147 0.000 0.914 154 S CB 0.063 63.182 63.200 -0.134 0.000 0.776 154 S HN 0.775 nan 8.310 nan 0.000 0.526 155 T N 0.410 114.921 114.554 -0.071 0.000 2.665 155 T HA 0.445 4.794 4.350 -0.000 0.000 0.303 155 T C -1.501 173.173 174.700 -0.043 0.000 1.334 155 T CA -0.412 61.669 62.100 -0.031 0.000 1.011 155 T CB 0.514 69.381 68.868 -0.002 0.000 1.573 155 T HN 0.041 nan 8.240 nan 0.000 0.492 156 N N 0.315 119.010 118.700 -0.008 0.000 2.758 156 N HA -0.115 4.624 4.740 -0.000 0.000 0.248 156 N C -1.058 174.426 175.510 -0.043 0.000 1.076 156 N CA 1.396 54.435 53.050 -0.017 0.000 0.696 156 N CB -1.267 37.191 38.487 -0.049 0.000 0.979 156 N HN 0.640 nan 8.380 nan 0.000 0.550 157 S N -0.645 115.050 115.700 -0.009 0.000 2.541 157 S HA 0.741 5.211 4.470 -0.000 0.000 0.280 157 S C -1.021 173.616 174.600 0.062 0.000 1.112 157 S CA -0.553 57.642 58.200 -0.010 0.000 0.925 157 S CB 1.451 64.627 63.200 -0.040 0.000 1.067 157 S HN 0.213 nan 8.310 nan 0.000 0.479 158 Q N 1.659 121.507 119.800 0.081 0.000 2.495 158 Q HA 0.679 5.019 4.340 -0.000 0.000 0.287 158 Q C -1.912 174.184 176.000 0.159 0.000 1.078 158 Q CA -0.741 55.136 55.803 0.123 0.000 0.793 158 Q CB 2.308 31.147 28.738 0.169 0.000 1.459 158 Q HN 0.578 nan 8.270 nan 0.000 0.422 159 F N 2.856 122.757 119.950 -0.082 0.000 3.051 159 F HA 0.549 5.075 4.527 -0.000 0.000 0.363 159 F C -2.048 173.748 175.800 -0.006 0.000 1.257 159 F CA -0.479 57.461 58.000 -0.100 0.000 1.126 159 F CB 0.962 39.938 39.000 -0.040 0.000 1.476 159 F HN 0.616 nan 8.300 nan 0.000 0.576 160 W N 3.329 124.328 121.300 -0.500 0.000 3.074 160 W HA 0.581 5.241 4.660 -0.000 0.000 0.332 160 W C 0.254 176.470 176.519 -0.506 0.000 1.253 160 W CA -1.356 55.590 57.345 -0.664 0.000 1.180 160 W CB 1.132 29.903 29.460 -1.149 0.000 1.445 160 W HN 1.165 nan 8.180 nan 0.000 0.573 161 G N 0.991 109.613 108.800 -0.297 0.000 2.143 161 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.249 161 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.249 161 G C -0.338 174.355 174.900 -0.346 0.000 0.981 161 G CA 0.283 45.239 45.100 -0.240 0.000 0.665 161 G HN 0.917 nan 8.290 nan 0.000 0.528 162 F N -0.687 119.048 119.950 -0.359 0.000 2.378 162 F HA 0.752 5.279 4.527 -0.000 0.000 0.319 162 F C 0.932 176.657 175.800 -0.124 0.000 1.155 162 F CA -1.803 56.028 58.000 -0.282 0.000 1.157 162 F CB 0.480 39.237 39.000 -0.405 0.000 1.252 162 F HN 0.119 nan 8.300 nan 0.000 0.550 163 L N 2.108 123.426 121.223 0.159 0.000 2.514 163 L HA 0.251 4.591 4.340 -0.000 0.000 0.280 163 L C -0.362 176.601 176.870 0.154 0.000 1.223 163 L CA 0.160 55.062 54.840 0.103 0.000 0.864 163 L CB 0.249 42.373 42.059 0.108 0.000 1.118 163 L HN 0.734 nan 8.230 nan 0.000 0.494 164 R N 3.766 124.306 120.500 0.067 0.000 2.513 164 R HA 0.475 4.815 4.340 -0.000 0.000 0.301 164 R C -1.451 174.896 176.300 0.079 0.000 0.968 164 R CA -0.803 55.346 56.100 0.082 0.000 0.872 164 R CB 1.737 32.037 30.300 0.000 0.000 1.177 164 R HN 0.747 nan 8.270 nan 0.000 0.444 165 D N 0.223 120.688 120.400 0.108 0.000 3.009 165 D HA -0.052 4.588 4.640 -0.000 0.000 0.318 165 D C 0.451 176.783 176.300 0.054 0.000 1.273 165 D CA -0.682 53.374 54.000 0.094 0.000 1.001 165 D CB 0.072 40.963 40.800 0.150 0.000 1.411 165 D HN 0.399 nan 8.370 nan 0.000 0.577 166 E N -0.467 119.721 120.200 -0.021 0.000 2.516 166 E HA -0.130 4.220 4.350 -0.000 0.000 0.199 166 E C 0.249 176.624 176.600 -0.375 0.000 1.069 166 E CA 0.706 56.988 56.400 -0.196 0.000 0.876 166 E CB -0.466 29.080 29.700 -0.257 0.000 0.843 166 E HN 0.561 nan 8.360 nan 0.000 0.530 167 Y N 0.985 121.306 120.300 0.035 0.000 2.458 167 Y HA 0.207 4.757 4.550 -0.000 0.000 0.256 167 Y C 0.542 176.469 175.900 0.045 0.000 1.159 167 Y CA 0.140 58.261 58.100 0.035 0.000 1.261 167 Y CB 0.810 39.290 38.460 0.033 0.000 1.119 167 Y HN -0.141 nan 8.280 nan 0.000 0.524 168 T N 0.066 114.708 114.554 0.147 0.000 2.767 168 T HA 0.255 4.605 4.350 -0.000 0.000 0.284 168 T C 1.017 175.781 174.700 0.106 0.000 0.973 168 T CA -0.068 62.122 62.100 0.150 0.000 0.996 168 T CB 1.297 70.280 68.868 0.191 0.000 0.927 168 T HN 0.325 nan 8.240 nan 0.000 0.456 169 T N 0.229 114.843 114.554 0.100 0.000 2.958 169 T HA 0.228 4.578 4.350 -0.000 0.000 0.256 169 T C 0.508 175.261 174.700 0.089 0.000 0.983 169 T CA -0.464 61.678 62.100 0.071 0.000 0.924 169 T CB -0.057 68.833 68.868 0.036 0.000 1.136 169 T HN 0.309 nan 8.240 nan 0.000 0.506 170 L N 2.841 124.137 121.223 0.121 0.000 2.490 170 L HA 0.372 4.712 4.340 -0.000 0.000 0.274 170 L C -0.055 176.966 176.870 0.251 0.000 1.201 170 L CA 0.041 54.958 54.840 0.128 0.000 0.869 170 L CB 0.254 42.344 42.059 0.051 0.000 1.123 170 L HN 0.070 nan 8.230 nan 0.000 0.484 171 K N 3.894 124.409 120.400 0.192 0.000 2.144 171 K HA 0.273 4.593 4.320 -0.000 0.000 0.270 171 K C -0.283 176.501 176.600 0.306 0.000 1.005 171 K CA -0.465 55.950 56.287 0.213 0.000 0.932 171 K CB 0.658 33.249 32.500 0.151 0.000 1.021 171 K HN 0.605 nan 8.250 nan 0.000 0.462 172 E N 0.682 121.029 120.200 0.245 0.000 2.390 172 E HA 0.074 4.424 4.350 -0.000 0.000 0.261 172 E C -0.325 176.374 176.600 0.165 0.000 1.076 172 E CA 0.154 56.643 56.400 0.149 0.000 0.905 172 E CB 1.300 30.984 29.700 -0.027 0.000 0.984 172 E HN 0.364 nan 8.360 nan 0.000 0.427 173 T N 1.081 115.608 114.554 -0.046 0.000 2.894 173 T HA 0.277 4.627 4.350 -0.000 0.000 0.309 173 T C -1.002 173.663 174.700 -0.058 0.000 1.208 173 T CA -0.631 61.562 62.100 0.154 0.000 1.016 173 T CB 0.685 69.692 68.868 0.231 0.000 1.192 173 T HN 0.569 nan 8.240 nan 0.000 0.491 174 W N 1.831 123.242 121.300 0.186 0.000 2.862 174 W HA 0.310 4.970 4.660 -0.000 0.000 0.376 174 W C -0.102 176.504 176.519 0.145 0.000 1.028 174 W CA -0.307 57.137 57.345 0.165 0.000 1.757 174 W CB 0.671 30.141 29.460 0.017 0.000 1.128 174 W HN 0.618 nan 8.180 nan 0.000 0.566 175 D N 0.915 121.481 120.400 0.278 0.000 2.548 175 D HA 0.206 4.846 4.640 -0.000 0.000 0.214 175 D C -0.593 175.817 176.300 0.183 0.000 1.345 175 D CA -0.023 54.097 54.000 0.200 0.000 0.945 175 D CB 0.975 41.888 40.800 0.187 0.000 1.499 175 D HN 0.045 nan 8.370 nan 0.000 0.579 176 R N 1.962 122.541 120.500 0.131 0.000 2.795 176 R HA 0.675 5.015 4.340 -0.000 0.000 0.268 176 R C -0.696 175.615 176.300 0.017 0.000 1.041 176 R CA -1.007 55.164 56.100 0.118 0.000 0.927 176 R CB 0.808 31.203 30.300 0.159 0.000 1.235 176 R HN 0.164 nan 8.270 nan 0.000 0.463 177 I N 1.646 122.190 120.570 -0.044 0.000 2.441 177 I HA 0.195 4.365 4.170 -0.000 0.000 0.287 177 I C -0.642 175.442 176.117 -0.055 0.000 1.049 177 I CA -0.772 60.434 61.300 -0.157 0.000 1.381 177 I CB 1.255 39.022 38.000 -0.389 0.000 1.409 177 I HN 0.379 nan 8.210 nan 0.000 0.523 178 L N 6.912 128.105 121.223 -0.050 0.000 2.325 178 L HA 0.575 4.914 4.340 -0.000 0.000 0.281 178 L C -0.530 176.406 176.870 0.109 0.000 1.004 178 L CA 0.323 55.182 54.840 0.033 0.000 0.823 178 L CB 1.539 43.605 42.059 0.012 0.000 1.236 178 L HN 0.559 nan 8.230 nan 0.000 0.415 179 S N 3.179 118.932 115.700 0.088 0.000 2.541 179 S HA 0.889 5.358 4.470 -0.000 0.000 0.280 179 S C -0.922 173.689 174.600 0.020 0.000 1.112 179 S CA -0.194 58.050 58.200 0.074 0.000 0.925 179 S CB 1.492 64.762 63.200 0.116 0.000 1.067 179 S HN 0.911 nan 8.310 nan 0.000 0.479 180 T N 2.241 116.765 114.554 -0.050 0.000 2.830 180 T HA 0.408 4.758 4.350 -0.000 0.000 0.322 180 T C -2.229 172.407 174.700 -0.108 0.000 1.501 180 T CA -0.603 61.450 62.100 -0.078 0.000 1.036 180 T CB 1.311 70.145 68.868 -0.056 0.000 1.379 180 T HN 0.578 nan 8.240 nan 0.000 0.493 181 D N 1.144 121.500 120.400 -0.074 0.000 2.253 181 D HA 0.603 5.243 4.640 -0.000 0.000 0.249 181 D C -0.531 175.744 176.300 -0.042 0.000 1.049 181 D CA -0.081 53.882 54.000 -0.061 0.000 0.929 181 D CB 1.804 42.580 40.800 -0.039 0.000 1.176 181 D HN 0.304 nan 8.370 nan 0.000 0.437 182 V N 1.845 121.743 119.914 -0.026 0.000 2.483 182 V HA 0.238 4.357 4.120 -0.000 0.000 0.297 182 V C -0.457 175.661 176.094 0.040 0.000 1.027 182 V CA -0.763 61.554 62.300 0.030 0.000 0.855 182 V CB 2.066 33.911 31.823 0.036 0.000 0.995 182 V HN 0.425 nan 8.190 nan 0.000 0.424 183 D N 3.679 124.107 120.400 0.047 0.000 2.425 183 D HA 0.697 5.337 4.640 -0.000 0.000 0.240 183 D C -0.648 175.608 176.300 -0.072 0.000 1.080 183 D CA -0.044 53.955 54.000 -0.002 0.000 0.836 183 D CB 2.199 42.992 40.800 -0.011 0.000 1.125 183 D HN 0.718 nan 8.370 nan 0.000 0.525 184 A N 2.806 125.547 122.820 -0.132 0.000 2.356 184 A HA 0.668 4.988 4.320 -0.000 0.000 0.310 184 A C -0.450 177.027 177.584 -0.178 0.000 1.075 184 A CA -0.524 51.295 52.037 -0.363 0.000 0.746 184 A CB 1.696 20.469 19.000 -0.378 0.000 1.221 184 A HN 0.386 nan 8.150 nan 0.000 0.443 185 T N 1.979 116.404 114.554 -0.215 0.000 2.876 185 T HA 0.674 5.024 4.350 -0.000 0.000 0.289 185 T C -1.179 173.471 174.700 -0.084 0.000 1.014 185 T CA -0.089 61.854 62.100 -0.262 0.000 0.986 185 T CB 0.847 69.587 68.868 -0.213 0.000 1.021 185 T HN 0.815 nan 8.240 nan 0.000 0.458 186 W N 1.881 123.091 121.300 -0.151 0.000 2.715 186 W HA 0.697 5.356 4.660 -0.001 0.000 0.331 186 W C -0.655 175.709 176.519 -0.259 0.000 1.031 186 W CA -1.180 56.022 57.345 -0.238 0.000 1.237 186 W CB 0.701 29.971 29.460 -0.318 0.000 1.378 186 W HN 0.566 nan 8.180 nan 0.000 0.454 187 Q N 2.942 122.668 119.800 -0.124 0.000 2.274 187 Q HA 0.366 4.706 4.340 -0.000 0.000 0.256 187 Q C -0.860 175.053 176.000 -0.144 0.000 0.927 187 Q CA -0.366 55.375 55.803 -0.102 0.000 0.939 187 Q CB 1.010 29.716 28.738 -0.052 0.000 1.201 187 Q HN 0.607 nan 8.270 nan 0.000 0.426 188 W N 3.410 124.732 121.300 0.037 0.000 2.161 188 W HA 0.199 4.859 4.660 0.000 0.000 0.344 188 W C 0.371 176.758 176.519 -0.220 0.000 1.262 188 W CA -0.361 56.970 57.345 -0.024 0.000 1.270 188 W CB 0.515 30.014 29.460 0.065 0.000 1.126 188 W HN 0.522 nan 8.180 nan 0.000 0.598 189 K N 3.188 123.544 120.400 -0.073 0.000 2.380 189 K HA -0.071 4.248 4.320 -0.000 0.000 0.267 189 K C 0.488 176.818 176.600 -0.451 0.000 0.990 189 K CA -0.522 55.644 56.287 -0.201 0.000 0.946 189 K CB 0.397 32.806 32.500 -0.153 0.000 0.937 189 K HN 0.563 nan 8.250 nan 0.000 0.491 190 N N 2.417 120.963 118.700 -0.256 0.000 2.356 190 N HA -0.073 4.667 4.740 -0.000 0.000 0.252 190 N C -1.283 174.079 175.510 -0.246 0.000 1.241 190 N CA 0.351 53.279 53.050 -0.203 0.000 0.861 190 N CB 0.119 38.570 38.487 -0.059 0.000 1.075 190 N HN 0.332 nan 8.380 nan 0.000 0.461 191 F N 0.549 120.557 119.950 0.097 0.000 2.458 191 F HA 0.210 4.737 4.527 0.000 0.000 0.330 191 F C 1.752 177.591 175.800 0.064 0.000 1.082 191 F CA -0.857 57.200 58.000 0.094 0.000 0.995 191 F CB 1.673 40.735 39.000 0.103 0.000 1.170 191 F HN 0.556 nan 8.300 nan 0.000 0.478 192 S N -0.043 115.823 115.700 0.277 0.000 2.461 192 S HA 0.492 4.962 4.470 -0.000 0.000 0.228 192 S C 0.727 175.394 174.600 0.112 0.000 1.005 192 S CA 0.515 58.805 58.200 0.149 0.000 0.942 192 S CB -0.237 63.034 63.200 0.117 0.000 0.776 192 S HN 1.046 nan 8.310 nan 0.000 0.514 193 G N -0.277 108.595 108.800 0.121 0.000 2.321 193 G HA2 0.374 4.334 3.960 -0.000 0.000 0.296 193 G HA3 0.374 4.334 3.960 -0.000 0.000 0.296 193 G C -0.126 174.789 174.900 0.025 0.000 1.287 193 G CA -0.303 44.833 45.100 0.060 0.000 0.846 193 G HN 0.121 nan 8.290 nan 0.000 0.508 194 L N 0.074 121.291 121.223 -0.009 0.000 2.046 194 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 194 L C 3.066 179.899 176.870 -0.062 0.000 1.077 194 L CA 1.847 56.661 54.840 -0.044 0.000 0.747 194 L CB -0.296 41.737 42.059 -0.042 0.000 0.896 194 L HN 0.731 nan 8.230 nan 0.000 0.432 195 Q N -0.615 119.157 119.800 -0.045 0.000 2.096 195 Q HA -0.304 4.035 4.340 -0.000 0.000 0.204 195 Q C 2.002 177.951 176.000 -0.085 0.000 0.982 195 Q CA 2.003 57.772 55.803 -0.057 0.000 0.850 195 Q CB -0.064 28.651 28.738 -0.037 0.000 0.901 195 Q HN 0.524 nan 8.270 nan 0.000 0.422 196 E N -0.036 120.126 120.200 -0.063 0.000 2.047 196 E HA -0.158 4.191 4.350 -0.000 0.000 0.191 196 E C 2.039 178.505 176.600 -0.224 0.000 0.987 196 E CA 1.030 57.382 56.400 -0.079 0.000 0.799 196 E CB 0.192 29.946 29.700 0.089 0.000 0.752 196 E HN 0.118 nan 8.360 nan 0.000 0.449 197 V N 1.471 121.205 119.914 -0.299 0.000 2.282 197 V HA -0.312 3.807 4.120 -0.000 0.000 0.249 197 V C 2.452 178.432 176.094 -0.189 0.000 1.057 197 V CA 2.217 64.266 62.300 -0.418 0.000 1.032 197 V CB -0.593 31.049 31.823 -0.302 0.000 0.645 197 V HN 0.285 nan 8.190 nan 0.000 0.447 198 R N 0.622 121.037 120.500 -0.141 0.000 2.127 198 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 198 R C 2.526 178.745 176.300 -0.135 0.000 1.134 198 R CA 1.717 57.758 56.100 -0.097 0.000 0.975 198 R CB -0.521 29.729 30.300 -0.084 0.000 0.865 198 R HN 0.717 nan 8.270 nan 0.000 0.447 199 S N -0.713 114.856 115.700 -0.220 0.000 2.461 199 S HA -0.090 4.380 4.470 -0.000 0.000 0.228 199 S C 1.240 175.596 174.600 -0.406 0.000 1.005 199 S CA 0.709 58.733 58.200 -0.294 0.000 0.942 199 S CB -0.150 62.854 63.200 -0.327 0.000 0.776 199 S HN 0.458 nan 8.310 nan 0.000 0.514 200 H N 0.009 118.926 119.070 -0.254 0.000 2.526 200 H HA 0.386 4.943 4.556 0.000 0.000 0.274 200 H C 1.668 176.657 175.328 -0.565 0.000 0.999 200 H CA 0.212 56.017 56.048 -0.405 0.000 1.157 200 H CB 0.235 29.671 29.762 -0.543 0.000 1.407 200 H HN 0.182 nan 8.280 nan 0.000 0.568 201 V N 1.703 121.511 119.914 -0.176 0.000 2.277 201 V HA -0.258 3.862 4.120 -0.000 0.000 0.253 201 V C -0.529 175.537 176.094 -0.047 0.000 1.067 201 V CA 2.149 64.450 62.300 0.002 0.000 1.047 201 V CB -0.844 31.006 31.823 0.046 0.000 0.649 201 V HN 0.438 nan 8.190 nan 0.000 0.447 202 P HA -0.111 nan 4.420 nan 0.000 0.220 202 P C 1.455 178.733 177.300 -0.036 0.000 1.148 202 P CA 1.178 64.264 63.100 -0.024 0.000 0.803 202 P CB -0.079 31.609 31.700 -0.019 0.000 0.782 203 K N -1.693 118.598 120.400 -0.181 0.000 2.283 203 K HA -0.065 4.255 4.320 -0.000 0.000 0.202 203 K C 1.657 178.267 176.600 0.016 0.000 1.048 203 K CA 1.045 57.262 56.287 -0.118 0.000 0.948 203 K CB -0.473 31.913 32.500 -0.191 0.000 0.742 203 K HN 0.146 nan 8.250 nan 0.000 0.458 204 F N 2.100 122.129 119.950 0.131 0.000 2.060 204 F HA -0.167 4.360 4.527 -0.001 0.000 0.295 204 F C 2.065 178.086 175.800 0.368 0.000 1.120 204 F CA 1.239 59.380 58.000 0.235 0.000 1.205 204 F CB -0.741 38.279 39.000 0.034 0.000 0.986 204 F HN -0.024 nan 8.300 nan 0.000 0.470 205 D N 0.103 120.763 120.400 0.433 0.000 2.117 205 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 205 D C 2.314 178.878 176.300 0.440 0.000 0.987 205 D CA 1.468 55.711 54.000 0.404 0.000 0.829 205 D CB -0.665 40.289 40.800 0.257 0.000 0.961 205 D HN 0.220 nan 8.370 nan 0.000 0.460 206 A N 0.107 123.103 122.820 0.293 0.000 1.933 206 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 206 A C 2.327 180.003 177.584 0.152 0.000 1.175 206 A CA 1.959 54.112 52.037 0.193 0.000 0.628 206 A CB -0.749 18.325 19.000 0.123 0.000 0.814 206 A HN 0.224 nan 8.150 nan 0.000 0.444 207 T N -1.865 112.822 114.554 0.222 0.000 2.904 207 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 207 T C 1.440 176.064 174.700 -0.126 0.000 1.059 207 T CA 1.184 63.308 62.100 0.040 0.000 1.137 207 T CB -0.283 68.687 68.868 0.171 0.000 0.879 207 T HN 0.765 nan 8.240 nan 0.000 0.467 208 W N 2.455 123.811 121.300 0.092 0.000 2.355 208 W HA 0.003 4.663 4.660 -0.000 0.000 0.309 208 W C 2.469 178.985 176.519 -0.005 0.000 1.206 208 W CA 1.002 58.433 57.345 0.143 0.000 1.284 208 W CB -0.619 29.083 29.460 0.404 0.000 1.145 208 W HN 0.197 nan 8.180 nan 0.000 0.502 209 A N -0.070 122.669 122.820 -0.134 0.000 1.933 209 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 209 A C 1.918 179.274 177.584 -0.380 0.000 1.175 209 A CA 2.448 54.235 52.037 -0.416 0.000 0.628 209 A CB -1.334 17.657 19.000 -0.015 0.000 0.814 209 A HN 0.350 nan 8.150 nan 0.000 0.444 210 T N 0.041 114.426 114.554 -0.280 0.000 2.737 210 T HA 0.046 4.396 4.350 -0.000 0.000 0.265 210 T C 2.281 176.780 174.700 -0.336 0.000 1.038 210 T CA 1.478 63.423 62.100 -0.258 0.000 1.144 210 T CB -0.445 68.293 68.868 -0.216 0.000 0.866 210 T HN 0.591 nan 8.240 nan 0.000 0.434 211 A N 1.614 124.128 122.820 -0.509 0.000 1.908 211 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 211 A C 2.292 179.671 177.584 -0.342 0.000 1.181 211 A CA 1.826 53.551 52.037 -0.519 0.000 0.627 211 A CB -0.574 17.803 19.000 -1.039 0.000 0.818 211 A HN 0.399 nan 8.150 nan 0.000 0.445 212 R N -0.309 119.908 120.500 -0.473 0.000 2.066 212 R HA -0.167 4.173 4.340 -0.000 0.000 0.232 212 R C 2.333 178.491 176.300 -0.237 0.000 1.131 212 R CA 1.707 57.576 56.100 -0.385 0.000 0.955 212 R CB -0.298 29.592 30.300 -0.683 0.000 0.851 212 R HN 0.754 nan 8.270 nan 0.000 0.432 213 E N 0.025 120.079 120.200 -0.245 0.000 2.077 213 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 213 E C 1.823 178.366 176.600 -0.096 0.000 0.989 213 E CA 1.461 57.773 56.400 -0.146 0.000 0.800 213 E CB 0.054 29.671 29.700 -0.137 0.000 0.746 213 E HN 0.221 nan 8.360 nan 0.000 0.452 214 V N 1.179 121.028 119.914 -0.109 0.000 2.407 214 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 214 V C 2.429 178.505 176.094 -0.030 0.000 1.055 214 V CA 2.150 64.408 62.300 -0.071 0.000 1.049 214 V CB -0.695 31.076 31.823 -0.088 0.000 0.662 214 V HN 0.387 nan 8.190 nan 0.000 0.455 215 T N 0.194 114.739 114.554 -0.014 0.000 2.708 215 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 215 T C 1.854 176.582 174.700 0.048 0.000 1.037 215 T CA 1.295 63.421 62.100 0.043 0.000 1.146 215 T CB -0.246 68.678 68.868 0.093 0.000 0.865 215 T HN 0.128 nan 8.240 nan 0.000 0.435 216 L N 1.250 122.482 121.223 0.014 0.000 2.005 216 L HA 0.041 4.381 4.340 -0.000 0.000 0.207 216 L C 2.422 179.344 176.870 0.087 0.000 1.072 216 L CA 1.739 56.606 54.840 0.045 0.000 0.744 216 L CB -1.061 40.997 42.059 -0.001 0.000 0.895 216 L HN 0.219 nan 8.230 nan 0.000 0.433 217 K N -1.045 119.373 120.400 0.031 0.000 2.032 217 K HA -0.167 4.152 4.320 -0.000 0.000 0.209 217 K C 1.909 178.521 176.600 0.020 0.000 1.048 217 K CA 2.015 58.314 56.287 0.019 0.000 0.927 217 K CB -0.139 32.355 32.500 -0.011 0.000 0.712 217 K HN 0.261 nan 8.250 nan 0.000 0.441 218 T N 0.544 115.108 114.554 0.017 0.000 2.777 218 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 218 T C 1.391 176.094 174.700 0.005 0.000 1.040 218 T CA 1.334 63.431 62.100 -0.004 0.000 1.141 218 T CB -0.421 68.432 68.868 -0.025 0.000 0.868 218 T HN 0.308 nan 8.240 nan 0.000 0.444 219 F N 2.374 122.286 119.950 -0.064 0.000 2.095 219 F HA -0.044 4.482 4.527 -0.000 0.000 0.298 219 F C 2.461 178.234 175.800 -0.045 0.000 1.104 219 F CA 1.199 59.163 58.000 -0.059 0.000 1.232 219 F CB -0.652 38.316 39.000 -0.052 0.000 0.987 219 F HN 0.140 nan 8.300 nan 0.000 0.475 220 A N -0.405 122.425 122.820 0.016 0.000 1.969 220 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 220 A C 2.070 179.582 177.584 -0.120 0.000 1.169 220 A CA 1.778 53.778 52.037 -0.063 0.000 0.635 220 A CB -0.649 18.387 19.000 0.061 0.000 0.810 220 A HN 0.591 nan 8.150 nan 0.000 0.445 221 E N -0.675 119.473 120.200 -0.086 0.000 2.364 221 E HA -0.005 4.345 4.350 -0.000 0.000 0.196 221 E C -0.336 176.214 176.600 -0.083 0.000 0.990 221 E CA -0.091 56.267 56.400 -0.069 0.000 0.886 221 E CB 0.117 29.794 29.700 -0.038 0.000 0.866 221 E HN 0.463 nan 8.360 nan 0.000 0.493 222 D N 1.542 121.875 120.400 -0.111 0.000 2.358 222 D HA -0.012 4.628 4.640 -0.000 0.000 0.258 222 D C -0.516 175.718 176.300 -0.110 0.000 1.223 222 D CA 0.023 53.966 54.000 -0.096 0.000 0.886 222 D CB 0.341 41.084 40.800 -0.095 0.000 1.120 222 D HN -0.128 nan 8.370 nan 0.000 0.482 223 N N 2.862 121.527 118.700 -0.058 0.000 2.602 223 N HA 0.128 4.868 4.740 -0.000 0.000 0.238 223 N C -1.462 174.044 175.510 -0.006 0.000 1.084 223 N CA -0.122 52.908 53.050 -0.034 0.000 0.952 223 N CB 0.288 38.775 38.487 0.000 0.000 1.244 223 N HN 0.163 nan 8.380 nan 0.000 0.512 224 S N 1.288 116.973 115.700 -0.026 0.000 2.600 224 S HA 0.764 5.234 4.470 -0.000 0.000 0.300 224 S C 0.348 174.951 174.600 0.004 0.000 1.087 224 S CA -0.485 57.709 58.200 -0.010 0.000 0.965 224 S CB 1.341 64.516 63.200 -0.041 0.000 1.089 224 S HN 0.503 nan 8.310 nan 0.000 0.496 225 A N 1.493 124.304 122.820 -0.014 0.000 2.390 225 A HA 0.513 4.833 4.320 -0.000 0.000 0.232 225 A C 0.477 178.040 177.584 -0.034 0.000 1.233 225 A CA 0.079 52.075 52.037 -0.068 0.000 0.907 225 A CB -0.077 18.734 19.000 -0.314 0.000 0.967 225 A HN 0.745 nan 8.150 nan 0.000 0.512 226 S N -0.518 115.160 115.700 -0.038 0.000 2.776 226 S HA 0.369 4.838 4.470 -0.000 0.000 0.284 226 S C 0.690 175.261 174.600 -0.048 0.000 1.160 226 S CA -0.340 57.843 58.200 -0.028 0.000 1.051 226 S CB 1.078 64.252 63.200 -0.043 0.000 1.037 226 S HN 0.137 nan 8.310 nan 0.000 0.485 227 V N 5.250 125.120 119.914 -0.073 0.000 2.407 227 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 227 V C 2.483 178.549 176.094 -0.047 0.000 1.055 227 V CA 2.046 64.307 62.300 -0.065 0.000 1.049 227 V CB -0.762 31.008 31.823 -0.087 0.000 0.662 227 V HN 0.807 nan 8.190 nan 0.000 0.455 228 Q N 0.344 120.119 119.800 -0.041 0.000 2.096 228 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 228 Q C 2.316 178.314 176.000 -0.002 0.000 0.982 228 Q CA 2.182 57.974 55.803 -0.019 0.000 0.850 228 Q CB -0.647 28.079 28.738 -0.020 0.000 0.901 228 Q HN 0.673 nan 8.270 nan 0.000 0.422 229 A N -0.474 122.337 122.820 -0.015 0.000 1.968 229 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 229 A C 2.186 179.785 177.584 0.025 0.000 1.169 229 A CA 1.575 53.617 52.037 0.008 0.000 0.638 229 A CB -0.681 18.306 19.000 -0.022 0.000 0.812 229 A HN 0.361 nan 8.150 nan 0.000 0.446 230 T N 1.273 115.815 114.554 -0.021 0.000 2.708 230 T HA -0.202 4.148 4.350 -0.000 0.000 0.266 230 T C 2.027 176.670 174.700 -0.095 0.000 1.037 230 T CA 1.946 64.017 62.100 -0.048 0.000 1.146 230 T CB -0.467 68.366 68.868 -0.058 0.000 0.865 230 T HN 0.726 nan 8.240 nan 0.000 0.435 231 M N -0.153 119.374 119.600 -0.122 0.000 2.279 231 M HA -0.045 4.435 4.480 -0.000 0.000 0.264 231 M C 2.209 178.396 176.300 -0.189 0.000 1.062 231 M CA 1.699 56.828 55.300 -0.285 0.000 1.099 231 M CB -0.852 31.572 32.600 -0.293 0.000 1.394 231 M HN 0.225 nan 8.290 nan 0.000 0.426 232 Y N 1.731 121.954 120.300 -0.128 0.000 2.220 232 Y HA -0.036 4.514 4.550 -0.000 0.000 0.291 232 Y C 2.163 178.027 175.900 -0.061 0.000 1.129 232 Y CA 1.633 59.696 58.100 -0.062 0.000 1.161 232 Y CB -0.075 38.361 38.460 -0.038 0.000 0.997 232 Y HN 0.172 nan 8.280 nan 0.000 0.522 233 K N -0.272 120.121 120.400 -0.012 0.000 2.057 233 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 233 K C 2.096 178.616 176.600 -0.133 0.000 1.049 233 K CA 2.002 58.246 56.287 -0.073 0.000 0.931 233 K CB -0.250 32.240 32.500 -0.018 0.000 0.714 233 K HN 0.392 nan 8.250 nan 0.000 0.440 234 M N 0.319 119.820 119.600 -0.165 0.000 2.080 234 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 234 M C 2.428 178.687 176.300 -0.068 0.000 1.068 234 M CA 1.831 57.041 55.300 -0.151 0.000 1.109 234 M CB -0.377 32.013 32.600 -0.350 0.000 1.342 234 M HN 0.218 nan 8.290 nan 0.000 0.405 235 A N -0.095 122.679 122.820 -0.076 0.000 1.930 235 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 235 A C 1.932 179.426 177.584 -0.150 0.000 1.175 235 A CA 1.570 53.608 52.037 0.001 0.000 0.627 235 A CB -0.659 18.361 19.000 0.034 0.000 0.815 235 A HN 0.520 nan 8.150 nan 0.000 0.443 236 E N -0.302 119.727 120.200 -0.286 0.000 2.085 236 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 236 E C 2.269 178.778 176.600 -0.152 0.000 0.994 236 E CA 1.529 57.770 56.400 -0.266 0.000 0.801 236 E CB -0.191 29.330 29.700 -0.298 0.000 0.743 236 E HN 0.755 nan 8.360 nan 0.000 0.453 237 Q N 0.140 119.865 119.800 -0.126 0.000 2.123 237 Q HA -0.095 4.245 4.340 -0.000 0.000 0.199 237 Q C 2.251 178.185 176.000 -0.111 0.000 0.966 237 Q CA 0.875 56.618 55.803 -0.100 0.000 0.845 237 Q CB -0.008 28.679 28.738 -0.086 0.000 0.907 237 Q HN 0.343 nan 8.270 nan 0.000 0.439 238 I N 0.503 121.002 120.570 -0.119 0.000 2.252 238 I HA -0.266 3.903 4.170 -0.000 0.000 0.245 238 I C 2.056 178.076 176.117 -0.162 0.000 1.102 238 I CA 1.042 62.243 61.300 -0.165 0.000 1.385 238 I CB -0.194 37.697 38.000 -0.182 0.000 1.064 238 I HN 0.186 nan 8.210 nan 0.000 0.414 239 L N 0.565 121.709 121.223 -0.133 0.000 2.141 239 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 239 L C 2.751 179.560 176.870 -0.101 0.000 1.094 239 L CA 1.082 55.849 54.840 -0.121 0.000 0.763 239 L CB -0.581 41.414 42.059 -0.105 0.000 0.908 239 L HN 0.234 nan 8.230 nan 0.000 0.437 240 A N -0.188 122.576 122.820 -0.094 0.000 2.014 240 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 240 A C 2.259 179.801 177.584 -0.068 0.000 1.163 240 A CA 0.969 52.964 52.037 -0.071 0.000 0.652 240 A CB -0.245 18.717 19.000 -0.064 0.000 0.808 240 A HN 0.323 nan 8.150 nan 0.000 0.449 241 R N -1.576 118.871 120.500 -0.088 0.000 2.300 241 R HA 0.097 4.437 4.340 -0.000 0.000 0.199 241 R C 0.001 176.255 176.300 -0.077 0.000 0.920 241 R CA 0.375 56.427 56.100 -0.080 0.000 1.046 241 R CB 0.257 30.500 30.300 -0.095 0.000 0.984 241 R HN 0.438 nan 8.270 nan 0.000 0.493 242 Q N 0.416 120.159 119.800 -0.096 0.000 2.483 242 Q HA 0.076 4.416 4.340 -0.000 0.000 0.245 242 Q C -0.132 175.819 176.000 -0.081 0.000 0.902 242 Q CA -0.165 55.588 55.803 -0.084 0.000 0.767 242 Q CB 1.647 30.296 28.738 -0.148 0.000 1.341 242 Q HN -0.168 nan 8.270 nan 0.000 0.453 243 Q N 2.600 122.380 119.800 -0.033 0.000 2.226 243 Q HA 0.011 4.351 4.340 -0.000 0.000 0.204 243 Q C 0.597 176.588 176.000 -0.014 0.000 0.975 243 Q CA 1.268 57.057 55.803 -0.023 0.000 0.866 243 Q CB 0.146 28.885 28.738 0.001 0.000 0.915 243 Q HN 0.719 nan 8.270 nan 0.000 0.440 244 L N -0.018 121.220 121.223 0.024 0.000 2.552 244 L HA 0.066 4.405 4.340 -0.000 0.000 0.227 244 L C -0.014 176.866 176.870 0.016 0.000 1.146 244 L CA 0.501 55.394 54.840 0.089 0.000 0.858 244 L CB -0.051 42.172 42.059 0.272 0.000 0.969 244 L HN 0.183 nan 8.230 nan 0.000 0.451 245 I N -0.499 119.976 120.570 -0.159 0.000 2.428 245 I HA 0.059 4.228 4.170 -0.000 0.000 0.289 245 I C 1.409 177.440 176.117 -0.144 0.000 1.019 245 I CA 0.304 61.435 61.300 -0.281 0.000 1.351 245 I CB 1.260 39.047 38.000 -0.354 0.000 1.412 245 I HN 0.233 nan 8.210 nan 0.000 0.513 246 E N 2.642 122.771 120.200 -0.119 0.000 2.162 246 E HA 0.023 4.373 4.350 -0.000 0.000 0.193 246 E C 0.050 176.613 176.600 -0.061 0.000 0.953 246 E CA 0.646 57.003 56.400 -0.073 0.000 0.849 246 E CB 0.601 30.268 29.700 -0.056 0.000 0.810 246 E HN 0.787 nan 8.360 nan 0.000 0.470 247 T N -2.024 112.492 114.554 -0.064 0.000 2.894 247 T HA 0.547 4.897 4.350 -0.000 0.000 0.309 247 T C -0.764 173.919 174.700 -0.027 0.000 1.208 247 T CA -0.905 61.172 62.100 -0.039 0.000 1.016 247 T CB 2.096 70.950 68.868 -0.023 0.000 1.192 247 T HN -0.179 nan 8.240 nan 0.000 0.491 248 V N 1.690 121.600 119.914 -0.005 0.000 2.555 248 V HA 0.680 4.800 4.120 -0.000 0.000 0.302 248 V C -0.255 175.849 176.094 0.018 0.000 1.038 248 V CA -0.699 61.610 62.300 0.015 0.000 0.887 248 V CB 1.554 33.399 31.823 0.038 0.000 0.991 248 V HN 1.065 nan 8.190 nan 0.000 0.434 249 E N 3.017 123.187 120.200 -0.050 0.000 2.210 249 E HA 0.542 4.892 4.350 -0.000 0.000 0.266 249 E C -2.046 174.472 176.600 -0.138 0.000 0.883 249 E CA -0.547 55.834 56.400 -0.032 0.000 0.761 249 E CB 1.791 31.468 29.700 -0.037 0.000 1.156 249 E HN 0.628 nan 8.360 nan 0.000 0.412 250 Y N 1.390 121.709 120.300 0.031 0.000 2.468 250 Y HA 0.389 4.939 4.550 -0.000 0.000 0.342 250 Y C -0.094 175.816 175.900 0.016 0.000 1.021 250 Y CA -0.531 57.587 58.100 0.030 0.000 1.079 250 Y CB 2.449 40.928 38.460 0.031 0.000 1.226 250 Y HN 0.390 nan 8.280 nan 0.000 0.460 251 S N 4.612 120.404 115.700 0.153 0.000 2.779 251 S HA 0.575 5.045 4.470 -0.000 0.000 0.293 251 S C -1.782 172.868 174.600 0.084 0.000 1.150 251 S CA -0.657 57.596 58.200 0.087 0.000 1.057 251 S CB 0.028 63.247 63.200 0.031 0.000 1.021 251 S HN 0.601 nan 8.310 nan 0.000 0.485 252 L N 5.898 127.162 121.223 0.068 0.000 2.295 252 L HA 0.467 4.807 4.340 -0.000 0.000 0.281 252 L C -2.630 174.237 176.870 -0.005 0.000 1.018 252 L CA -2.048 52.813 54.840 0.035 0.000 0.841 252 L CB 1.697 43.775 42.059 0.032 0.000 1.218 252 L HN 0.429 nan 8.230 nan 0.000 0.424 253 P HA 0.217 nan 4.420 nan 0.000 0.283 253 P C -0.530 176.722 177.300 -0.080 0.000 1.412 253 P CA -0.495 62.580 63.100 -0.042 0.000 0.912 253 P CB 0.524 32.202 31.700 -0.036 0.000 1.132 254 N N 2.815 121.444 118.700 -0.118 0.000 2.344 254 N HA 0.100 4.839 4.740 -0.000 0.000 0.236 254 N C -0.003 175.317 175.510 -0.317 0.000 1.279 254 N CA 0.538 53.461 53.050 -0.212 0.000 0.882 254 N CB 0.279 38.591 38.487 -0.291 0.000 1.110 254 N HN 0.210 nan 8.380 nan 0.000 0.436 255 K N 1.169 121.385 120.400 -0.308 0.000 2.545 255 K HA 0.299 4.619 4.320 -0.000 0.000 0.252 255 K C -1.155 175.316 176.600 -0.216 0.000 0.948 255 K CA -0.644 55.489 56.287 -0.256 0.000 0.827 255 K CB 1.281 33.741 32.500 -0.067 0.000 1.128 255 K HN 0.494 nan 8.250 nan 0.000 0.429 256 H N 1.933 120.974 119.070 -0.047 0.000 2.525 256 H HA 0.210 4.766 4.556 -0.000 0.000 0.339 256 H C -0.762 174.491 175.328 -0.126 0.000 1.109 256 H CA -0.038 56.021 56.048 0.018 0.000 1.352 256 H CB 0.809 30.573 29.762 0.004 0.000 1.461 256 H HN 0.456 nan 8.280 nan 0.000 0.533 257 Y N 1.964 122.373 120.300 0.180 0.000 2.332 257 Y HA 0.186 4.736 4.550 -0.000 0.000 0.326 257 Y C -0.469 175.756 175.900 0.543 0.000 0.978 257 Y CA -0.713 57.503 58.100 0.195 0.000 1.205 257 Y CB 0.727 39.226 38.460 0.064 0.000 1.131 257 Y HN 0.394 nan 8.280 nan 0.000 0.462 258 F N 1.899 122.076 119.950 0.378 0.000 2.379 258 F HA 0.340 4.867 4.527 -0.000 0.000 0.332 258 F C 0.837 176.827 175.800 0.316 0.000 1.096 258 F CA -1.782 56.403 58.000 0.307 0.000 1.105 258 F CB 0.919 40.014 39.000 0.160 0.000 1.189 258 F HN 0.454 nan 8.300 nan 0.000 0.515 259 E N 2.396 122.801 120.200 0.342 0.000 2.404 259 E HA 0.270 4.620 4.350 -0.000 0.000 0.261 259 E C -0.703 175.906 176.600 0.017 0.000 1.074 259 E CA -0.033 56.330 56.400 -0.061 0.000 0.917 259 E CB 1.146 30.807 29.700 -0.064 0.000 0.965 259 E HN 0.372 nan 8.360 nan 0.000 0.433 260 I N 2.031 122.555 120.570 -0.078 0.000 2.411 260 I HA 0.069 4.239 4.170 -0.000 0.000 0.284 260 I C -0.450 175.682 176.117 0.026 0.000 1.012 260 I CA -0.763 60.557 61.300 0.034 0.000 1.119 260 I CB 1.461 39.492 38.000 0.053 0.000 1.261 260 I HN 0.420 nan 8.210 nan 0.000 0.448 261 D N 6.841 127.293 120.400 0.086 0.000 2.358 261 D HA 0.161 4.801 4.640 -0.000 0.000 0.258 261 D C 0.341 176.748 176.300 0.179 0.000 1.223 261 D CA 0.371 54.435 54.000 0.107 0.000 0.886 261 D CB 0.888 41.771 40.800 0.138 0.000 1.120 261 D HN 0.460 nan 8.370 nan 0.000 0.482 262 L N 3.030 124.264 121.223 0.019 0.000 2.808 262 L HA 0.072 4.412 4.340 -0.000 0.000 0.246 262 L C 2.082 178.696 176.870 -0.427 0.000 1.153 262 L CA -0.071 54.650 54.840 -0.198 0.000 0.956 262 L CB -0.033 41.914 42.059 -0.187 0.000 1.270 262 L HN 0.447 nan 8.230 nan 0.000 0.528 263 S N 0.522 116.128 115.700 -0.157 0.000 2.400 263 S HA -0.215 4.255 4.470 -0.000 0.000 0.232 263 S C 1.750 176.277 174.600 -0.122 0.000 1.025 263 S CA 0.947 59.081 58.200 -0.109 0.000 0.993 263 S CB -0.633 62.568 63.200 0.002 0.000 0.808 263 S HN 0.713 nan 8.310 nan 0.000 0.478 264 W N 1.845 123.176 121.300 0.051 0.000 2.480 264 W HA 0.091 4.751 4.660 -0.000 0.000 0.257 264 W C 0.602 177.170 176.519 0.082 0.000 1.235 264 W CA 0.553 57.929 57.345 0.052 0.000 1.218 264 W CB -1.141 28.350 29.460 0.051 0.000 1.131 264 W HN 0.501 nan 8.180 nan 0.000 0.606 265 H N 1.814 120.348 119.070 -0.894 0.000 2.691 265 H HA 0.241 4.797 4.556 -0.000 0.000 0.281 265 H C 0.601 175.697 175.328 -0.386 0.000 1.121 265 H CA -0.756 54.831 56.048 -0.769 0.000 1.254 265 H CB 0.087 29.074 29.762 -1.291 0.000 1.390 265 H HN -0.004 nan 8.280 nan 0.000 0.491 266 K N 3.568 123.682 120.400 -0.475 0.000 3.012 266 K HA -0.232 4.088 4.320 -0.000 0.000 0.259 266 K C 0.889 177.379 176.600 -0.183 0.000 0.989 266 K CA 0.697 56.798 56.287 -0.311 0.000 0.728 266 K CB -1.788 30.500 32.500 -0.354 0.000 1.260 266 K HN 1.081 nan 8.250 nan 0.000 0.480 267 G N 0.254 108.963 108.800 -0.153 0.000 2.361 267 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.294 267 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.294 267 G C 0.143 174.986 174.900 -0.096 0.000 1.004 267 G CA 0.262 45.302 45.100 -0.099 0.000 0.870 267 G HN 0.301 nan 8.290 nan 0.000 0.510 268 L N 0.066 121.213 121.223 -0.126 0.000 2.540 268 L HA 0.287 4.627 4.340 -0.000 0.000 0.276 268 L C 0.410 177.230 176.870 -0.084 0.000 1.212 268 L CA 0.311 55.093 54.840 -0.096 0.000 0.893 268 L CB 0.759 42.754 42.059 -0.106 0.000 1.138 268 L HN 0.278 nan 8.230 nan 0.000 0.491 269 Q N 3.977 123.744 119.800 -0.055 0.000 2.372 269 Q HA 0.272 4.611 4.340 -0.000 0.000 0.259 269 Q C -0.217 175.758 176.000 -0.041 0.000 0.993 269 Q CA 0.052 55.830 55.803 -0.041 0.000 0.854 269 Q CB 1.004 29.726 28.738 -0.026 0.000 1.231 269 Q HN 0.577 nan 8.270 nan 0.000 0.462 270 N N 0.872 119.542 118.700 -0.050 0.000 2.301 270 N HA 0.028 4.767 4.740 -0.000 0.000 0.247 270 N C -1.202 174.244 175.510 -0.107 0.000 1.347 270 N CA 0.082 53.086 53.050 -0.076 0.000 0.844 270 N CB 0.848 39.283 38.487 -0.087 0.000 1.332 270 N HN 0.484 nan 8.380 nan 0.000 0.494 271 T N -3.687 110.833 114.554 -0.056 0.000 2.924 271 T HA 0.779 5.129 4.350 -0.000 0.000 0.291 271 T C 0.971 175.674 174.700 0.006 0.000 1.045 271 T CA -0.103 61.973 62.100 -0.040 0.000 1.015 271 T CB 1.628 70.491 68.868 -0.009 0.000 1.103 271 T HN 0.247 nan 8.240 nan 0.000 0.496 272 G N 1.884 110.710 108.800 0.044 0.000 2.614 272 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.303 272 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.303 272 G C 0.726 175.677 174.900 0.086 0.000 1.270 272 G CA 0.743 45.892 45.100 0.082 0.000 0.988 272 G HN 0.980 nan 8.290 nan 0.000 0.551 273 K N 0.728 121.171 120.400 0.072 0.000 2.362 273 K HA -0.065 4.255 4.320 -0.000 0.000 0.202 273 K C 2.073 178.709 176.600 0.058 0.000 1.045 273 K CA 1.825 58.153 56.287 0.068 0.000 0.936 273 K CB -0.253 32.274 32.500 0.045 0.000 0.747 273 K HN 0.490 nan 8.250 nan 0.000 0.467 274 N N -0.345 118.378 118.700 0.040 0.000 2.280 274 N HA 0.104 4.844 4.740 -0.000 0.000 0.192 274 N C -0.592 174.927 175.510 0.015 0.000 1.109 274 N CA -0.063 53.001 53.050 0.024 0.000 0.855 274 N CB 0.706 39.196 38.487 0.004 0.000 0.974 274 N HN 0.050 nan 8.380 nan 0.000 0.482 275 A N 0.972 123.803 122.820 0.017 0.000 2.537 275 A HA 0.009 4.328 4.320 -0.000 0.000 0.260 275 A C 0.738 178.359 177.584 0.062 0.000 1.082 275 A CA 0.447 52.433 52.037 -0.085 0.000 0.765 275 A CB 0.095 19.027 19.000 -0.113 0.000 1.019 275 A HN 0.339 nan 8.150 nan 0.000 0.507 276 E N 1.577 121.780 120.200 0.004 0.000 2.354 276 E HA 0.131 4.481 4.350 -0.000 0.000 0.203 276 E C -0.494 176.255 176.600 0.248 0.000 0.841 276 E CA 0.161 56.660 56.400 0.165 0.000 1.046 276 E CB 0.680 30.435 29.700 0.092 0.000 1.040 276 E HN 0.507 nan 8.360 nan 0.000 0.504 277 V N 2.395 122.359 119.914 0.084 0.000 2.394 277 V HA 0.330 4.450 4.120 -0.000 0.000 0.282 277 V C -0.771 175.369 176.094 0.077 0.000 1.031 277 V CA -0.307 62.084 62.300 0.151 0.000 0.881 277 V CB 0.615 32.482 31.823 0.073 0.000 0.982 277 V HN 0.037 nan 8.190 nan 0.000 0.451 278 F N 1.904 121.938 119.950 0.140 0.000 2.618 278 F HA 0.812 5.339 4.527 -0.000 0.000 0.332 278 F C 0.393 176.298 175.800 0.174 0.000 1.061 278 F CA -0.973 57.141 58.000 0.191 0.000 0.974 278 F CB 1.835 40.992 39.000 0.261 0.000 1.310 278 F HN 0.462 nan 8.300 nan 0.000 0.491 279 A N 2.401 125.441 122.820 0.367 0.000 2.277 279 A HA 0.690 5.010 4.320 -0.000 0.000 0.318 279 A C -2.791 174.798 177.584 0.008 0.000 1.339 279 A CA -1.738 50.398 52.037 0.165 0.000 0.875 279 A CB -0.057 19.019 19.000 0.127 0.000 1.158 279 A HN 0.331 nan 8.150 nan 0.000 0.514 280 P HA 0.153 nan 4.420 nan 0.000 0.271 280 P C -0.630 176.403 177.300 -0.444 0.000 1.220 280 P CA 0.187 62.934 63.100 -0.589 0.000 0.768 280 P CB 0.629 32.028 31.700 -0.502 0.000 0.848 281 Q N 1.642 121.121 119.800 -0.535 0.000 2.271 281 Q HA 0.246 4.586 4.340 -0.000 0.000 0.258 281 Q C 0.882 176.712 176.000 -0.283 0.000 0.936 281 Q CA -0.207 55.350 55.803 -0.409 0.000 0.909 281 Q CB 1.545 29.944 28.738 -0.565 0.000 1.253 281 Q HN 0.363 nan 8.270 nan 0.000 0.440 282 S N 1.636 117.223 115.700 -0.189 0.000 2.387 282 S HA -0.084 4.386 4.470 -0.000 0.000 0.226 282 S C 0.150 174.692 174.600 -0.096 0.000 1.026 282 S CA 1.309 59.432 58.200 -0.129 0.000 0.972 282 S CB 0.131 63.277 63.200 -0.090 0.000 0.814 282 S HN 0.785 nan 8.310 nan 0.000 0.477 283 D N -0.857 119.495 120.400 -0.081 0.000 2.622 283 D HA 0.478 5.118 4.640 -0.000 0.000 0.255 283 D C -3.056 173.232 176.300 -0.020 0.000 1.246 283 D CA -1.493 52.487 54.000 -0.034 0.000 0.795 283 D CB 0.214 41.000 40.800 -0.023 0.000 1.369 283 D HN -0.103 nan 8.370 nan 0.000 0.425 284 P HA 0.330 nan 4.420 nan 0.000 0.293 284 P C -0.950 176.420 177.300 0.116 0.000 1.298 284 P CA -0.602 62.528 63.100 0.049 0.000 0.757 284 P CB 0.248 31.981 31.700 0.054 0.000 1.262 285 N N -2.596 116.175 118.700 0.117 0.000 2.308 285 N HA 0.285 5.025 4.740 -0.000 0.000 0.283 285 N C -0.391 175.213 175.510 0.157 0.000 1.105 285 N CA -0.715 52.429 53.050 0.156 0.000 0.840 285 N CB 1.398 39.872 38.487 -0.022 0.000 1.633 285 N HN 0.469 nan 8.380 nan 0.000 0.476 286 G N 0.349 109.308 108.800 0.265 0.000 2.380 286 G HA2 0.369 4.329 3.960 -0.000 0.000 0.242 286 G HA3 0.369 4.329 3.960 -0.000 0.000 0.242 286 G C -0.673 174.234 174.900 0.013 0.000 1.298 286 G CA -0.171 44.999 45.100 0.116 0.000 0.878 286 G HN 0.501 nan 8.290 nan 0.000 0.542 287 L N 2.957 124.183 121.223 0.006 0.000 2.376 287 L HA 0.692 5.031 4.340 -0.000 0.000 0.275 287 L C -0.782 176.086 176.870 -0.004 0.000 0.987 287 L CA -0.810 54.027 54.840 -0.004 0.000 0.828 287 L CB 1.603 43.663 42.059 0.000 0.000 1.249 287 L HN 0.440 nan 8.230 nan 0.000 0.409 288 I N 4.897 125.466 120.570 -0.001 0.000 2.466 288 I HA 0.490 4.660 4.170 -0.000 0.000 0.289 288 I C -0.456 175.680 176.117 0.031 0.000 1.026 288 I CA -0.491 60.812 61.300 0.005 0.000 1.078 288 I CB 1.707 39.700 38.000 -0.013 0.000 1.249 288 I HN 0.499 nan 8.210 nan 0.000 0.429 289 K N 5.145 125.567 120.400 0.036 0.000 2.340 289 K HA 0.909 5.229 4.320 -0.000 0.000 0.244 289 K C -1.215 175.428 176.600 0.071 0.000 0.973 289 K CA -0.766 55.556 56.287 0.059 0.000 0.828 289 K CB 2.565 35.089 32.500 0.040 0.000 1.226 289 K HN 0.821 nan 8.250 nan 0.000 0.437 290 C N -1.497 117.864 119.300 0.102 0.000 3.241 290 C HA 0.561 5.021 4.460 -0.000 0.000 0.348 290 C C -0.966 174.093 174.990 0.116 0.000 1.180 290 C CA -0.783 58.298 59.018 0.105 0.000 1.273 290 C CB 1.131 28.947 27.740 0.128 0.000 1.620 290 C HN 0.728 nan 8.230 nan 0.000 0.510 291 T N 2.502 117.110 114.554 0.090 0.000 2.791 291 T HA 0.630 4.980 4.350 -0.000 0.000 0.288 291 T C -0.304 174.445 174.700 0.082 0.000 0.999 291 T CA -0.288 61.855 62.100 0.071 0.000 0.952 291 T CB 1.310 70.201 68.868 0.038 0.000 0.938 291 T HN 0.793 nan 8.240 nan 0.000 0.444 292 V N 2.855 122.817 119.914 0.078 0.000 2.513 292 V HA 0.882 5.002 4.120 -0.000 0.000 0.299 292 V C 0.706 176.814 176.094 0.022 0.000 1.035 292 V CA -0.405 61.936 62.300 0.068 0.000 0.889 292 V CB 1.813 33.645 31.823 0.014 0.000 0.988 292 V HN 1.009 nan 8.190 nan 0.000 0.440 293 G N 3.710 112.525 108.800 0.025 0.000 3.251 293 G HA2 0.601 4.561 3.960 -0.000 0.000 0.248 293 G HA3 0.601 4.561 3.960 -0.000 0.000 0.248 293 G C -0.929 173.969 174.900 -0.003 0.000 1.320 293 G CA -1.068 44.033 45.100 0.002 0.000 0.982 293 G HN 0.575 nan 8.290 nan 0.000 0.575 294 R N 0.397 120.892 120.500 -0.008 0.000 2.312 294 R HA 0.518 4.858 4.340 -0.000 0.000 0.311 294 R C 0.250 176.555 176.300 0.008 0.000 1.004 294 R CA -0.355 55.741 56.100 -0.007 0.000 0.902 294 R CB 1.556 31.846 30.300 -0.016 0.000 1.073 294 R HN 0.403 nan 8.270 nan 0.000 0.457 295 S N 0.000 115.709 115.700 0.015 0.000 2.498 295 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 295 S CA 0.000 58.212 58.200 0.021 0.000 1.107 295 S CB 0.000 63.214 63.200 0.024 0.000 0.593 295 S HN 0.000 nan 8.310 nan 0.000 0.517