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_H 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 0.000 177.558 177.584 -0.043 0.000 1.274 2 A CA 0.000 52.025 52.037 -0.021 0.000 0.836 2 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 3 V N 4.403 124.281 119.914 -0.060 0.000 2.397 3 V HA 0.106 4.225 4.120 -0.000 0.000 0.262 3 V C 1.176 177.215 176.094 -0.092 0.000 1.047 3 V CA 0.212 62.439 62.300 -0.121 0.000 1.003 3 V CB 0.607 32.328 31.823 -0.169 0.000 1.037 3 V HN 0.884 nan 8.190 nan 0.000 0.480 4 K N 3.466 123.813 120.400 -0.089 0.000 2.186 4 K HA 0.291 4.611 4.320 -0.000 0.000 0.202 4 K C 0.589 177.151 176.600 -0.063 0.000 1.052 4 K CA 0.967 57.218 56.287 -0.061 0.000 0.965 4 K CB 0.496 32.967 32.500 -0.049 0.000 0.746 4 K HN 0.730 nan 8.250 nan 0.000 0.457 5 A N 0.049 122.812 122.820 -0.094 0.000 2.604 5 A HA 0.727 5.047 4.320 -0.000 0.000 0.295 5 A C -1.733 175.769 177.584 -0.137 0.000 1.067 5 A CA -0.323 51.666 52.037 -0.080 0.000 0.683 5 A CB 1.823 20.790 19.000 -0.055 0.000 1.281 5 A HN 0.065 nan 8.150 nan 0.000 0.407 6 A N 0.973 123.743 122.820 -0.084 0.000 2.540 6 A HA 0.861 5.181 4.320 -0.000 0.000 0.297 6 A C -0.779 176.861 177.584 0.092 0.000 1.056 6 A CA -0.451 51.541 52.037 -0.076 0.000 0.700 6 A CB 1.367 20.189 19.000 -0.295 0.000 1.280 6 A HN 0.933 nan 8.150 nan 0.000 0.398 7 R N 0.209 120.800 120.500 0.152 0.000 2.668 7 R HA 0.718 5.058 4.340 -0.000 0.000 0.272 7 R C -1.651 174.803 176.300 0.256 0.000 1.019 7 R CA -0.561 55.639 56.100 0.166 0.000 0.894 7 R CB 2.277 32.619 30.300 0.071 0.000 1.228 7 R HN 1.046 nan 8.270 nan 0.000 0.460 8 Y N -1.034 119.278 120.300 0.020 0.000 2.656 8 Y HA 0.864 5.414 4.550 -0.000 0.000 0.334 8 Y C -0.417 175.441 175.900 -0.070 0.000 1.179 8 Y CA -0.502 57.593 58.100 -0.008 0.000 1.050 8 Y CB 1.348 39.809 38.460 0.002 0.000 1.308 8 Y HN 0.773 nan 8.280 nan 0.000 0.456 9 G N 1.563 110.195 108.800 -0.281 0.000 2.399 9 G HA2 0.399 4.359 3.960 -0.000 0.000 0.256 9 G HA3 0.399 4.359 3.960 -0.000 0.000 0.256 9 G C -2.181 172.626 174.900 -0.154 0.000 1.236 9 G CA -1.070 43.791 45.100 -0.397 0.000 0.914 9 G HN 0.605 nan 8.290 nan 0.000 0.482 10 K N 0.549 120.850 120.400 -0.165 0.000 2.376 10 K HA 0.641 4.961 4.320 -0.000 0.000 0.257 10 K C -1.531 175.023 176.600 -0.076 0.000 0.939 10 K CA -0.659 55.574 56.287 -0.091 0.000 0.809 10 K CB 1.803 34.248 32.500 -0.090 0.000 1.121 10 K HN 0.529 nan 8.250 nan 0.000 0.425 11 D N 1.751 122.127 120.400 -0.041 0.000 2.326 11 D HA 0.388 5.028 4.640 -0.000 0.000 0.248 11 D C -0.502 175.795 176.300 -0.005 0.000 1.001 11 D CA 0.139 54.124 54.000 -0.025 0.000 0.961 11 D CB 0.771 41.560 40.800 -0.017 0.000 1.183 11 D HN 0.616 nan 8.370 nan 0.000 0.502 12 N N 0.613 119.318 118.700 0.009 0.000 2.735 12 N HA -0.137 4.603 4.740 -0.000 0.000 0.248 12 N C -0.841 174.694 175.510 0.043 0.000 1.083 12 N CA 0.381 53.449 53.050 0.031 0.000 0.703 12 N CB -1.419 37.086 38.487 0.029 0.000 1.005 12 N HN 0.144 nan 8.380 nan 0.000 0.550 13 V N 1.277 121.209 119.914 0.031 0.000 2.389 13 V HA 0.150 4.270 4.120 -0.000 0.000 0.264 13 V C 1.202 177.358 176.094 0.102 0.000 1.049 13 V CA -0.231 62.090 62.300 0.035 0.000 0.932 13 V CB 0.724 32.508 31.823 -0.064 0.000 1.011 13 V HN 0.082 nan 8.190 nan 0.000 0.475 14 R N 3.509 124.102 120.500 0.156 0.000 2.410 14 R HA 0.709 5.049 4.340 -0.000 0.000 0.288 14 R C -1.053 175.405 176.300 0.265 0.000 1.051 14 R CA -0.453 55.758 56.100 0.186 0.000 1.021 14 R CB 1.657 32.044 30.300 0.144 0.000 1.032 14 R HN 0.519 nan 8.270 nan 0.000 0.481 15 V N 3.364 123.432 119.914 0.257 0.000 2.733 15 V HA 0.278 4.398 4.120 -0.000 0.000 0.306 15 V C -1.406 174.850 176.094 0.269 0.000 1.084 15 V CA -0.999 61.471 62.300 0.283 0.000 0.905 15 V CB 1.682 33.635 31.823 0.217 0.000 1.010 15 V HN 0.689 nan 8.190 nan 0.000 0.424 16 Y N 3.890 124.243 120.300 0.088 0.000 2.462 16 Y HA 0.788 5.338 4.550 -0.000 0.000 0.346 16 Y C -0.581 175.332 175.900 0.023 0.000 0.976 16 Y CA -1.011 57.124 58.100 0.059 0.000 1.044 16 Y CB 1.895 40.369 38.460 0.023 0.000 1.230 16 Y HN 0.674 nan 8.280 nan 0.000 0.455 17 K N 5.587 125.797 120.400 -0.317 0.000 2.513 17 K HA 0.664 4.984 4.320 -0.000 0.000 0.251 17 K C -2.338 173.992 176.600 -0.449 0.000 0.939 17 K CA -0.883 55.267 56.287 -0.229 0.000 0.793 17 K CB 2.182 34.630 32.500 -0.088 0.000 1.241 17 K HN 0.634 nan 8.250 nan 0.000 0.431 18 V N 4.174 123.923 119.914 -0.275 0.000 2.630 18 V HA 0.438 4.558 4.120 -0.000 0.000 0.305 18 V C -1.194 174.911 176.094 0.018 0.000 1.046 18 V CA -0.372 61.812 62.300 -0.194 0.000 0.934 18 V CB 1.544 33.330 31.823 -0.062 0.000 1.003 18 V HN 0.922 nan 8.190 nan 0.000 0.451 19 H N 5.790 124.855 119.070 -0.008 0.000 2.505 19 H HA 0.520 5.076 4.556 -0.000 0.000 0.338 19 H C -1.104 174.247 175.328 0.038 0.000 1.057 19 H CA -0.786 55.287 56.048 0.042 0.000 1.202 19 H CB 1.548 31.377 29.762 0.113 0.000 1.466 19 H HN 0.671 nan 8.280 nan 0.000 0.499 20 K N 4.080 124.126 120.400 -0.590 0.000 2.358 20 K HA 0.113 4.433 4.320 -0.000 0.000 0.260 20 K C -0.811 175.511 176.600 -0.465 0.000 0.956 20 K CA -0.869 55.201 56.287 -0.363 0.000 0.834 20 K CB 1.780 34.181 32.500 -0.166 0.000 1.102 20 K HN 0.490 nan 8.250 nan 0.000 0.431 21 D N 3.228 123.479 120.400 -0.247 0.000 2.347 21 D HA 0.025 4.665 4.640 -0.000 0.000 0.235 21 D C 0.337 176.613 176.300 -0.041 0.000 1.149 21 D CA 0.159 54.108 54.000 -0.083 0.000 0.850 21 D CB 0.971 41.818 40.800 0.077 0.000 1.061 21 D HN 0.521 nan 8.370 nan 0.000 0.487 22 E N 2.649 122.825 120.200 -0.040 0.000 2.204 22 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 22 E C 1.327 177.923 176.600 -0.006 0.000 0.989 22 E CA 0.861 57.247 56.400 -0.023 0.000 0.824 22 E CB 0.521 30.206 29.700 -0.025 0.000 0.756 22 E HN 0.509 nan 8.360 nan 0.000 0.477 23 K N 0.188 120.590 120.400 0.005 0.000 1.969 23 K HA -0.114 4.205 4.320 -0.000 0.000 0.220 23 K C 2.478 179.084 176.600 0.008 0.000 1.040 23 K CA 1.851 58.144 56.287 0.009 0.000 0.981 23 K CB -0.932 31.578 32.500 0.017 0.000 0.746 23 K HN 0.124 nan 8.250 nan 0.000 0.444 24 T N -1.650 112.913 114.554 0.016 0.000 2.699 24 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 24 T C 1.716 176.420 174.700 0.008 0.000 1.036 24 T CA 1.592 63.700 62.100 0.013 0.000 1.147 24 T CB -0.781 68.102 68.868 0.024 0.000 0.862 24 T HN 0.637 nan 8.240 nan 0.000 0.446 25 G N 0.128 108.936 108.800 0.013 0.000 2.176 25 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.232 25 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.232 25 G C 0.076 175.000 174.900 0.040 0.000 0.986 25 G CA -0.094 45.017 45.100 0.019 0.000 0.643 25 G HN 0.801 nan 8.290 nan 0.000 0.522 26 V N 1.898 121.838 119.914 0.043 0.000 2.555 26 V HA 0.407 4.527 4.120 -0.000 0.000 0.286 26 V C 0.596 176.756 176.094 0.111 0.000 1.044 26 V CA 0.211 62.555 62.300 0.073 0.000 1.026 26 V CB 1.387 33.255 31.823 0.074 0.000 0.981 26 V HN 0.458 nan 8.190 nan 0.000 0.480 27 Q N 2.814 122.715 119.800 0.169 0.000 2.309 27 Q HA 0.618 4.958 4.340 -0.000 0.000 0.264 27 Q C -0.835 175.341 176.000 0.293 0.000 1.008 27 Q CA -0.613 55.304 55.803 0.190 0.000 0.853 27 Q CB 2.387 31.244 28.738 0.199 0.000 1.314 27 Q HN 0.719 nan 8.270 nan 0.000 0.448 28 T N 1.121 115.777 114.554 0.170 0.000 2.881 28 T HA 0.478 4.828 4.350 -0.000 0.000 0.290 28 T C -0.542 173.927 174.700 -0.385 0.000 1.000 28 T CA -0.686 61.407 62.100 -0.012 0.000 0.978 28 T CB 1.432 70.335 68.868 0.059 0.000 0.997 28 T HN 0.476 nan 8.240 nan 0.000 0.443 29 V N 1.126 120.519 119.914 -0.867 0.000 2.715 29 V HA 0.851 4.971 4.120 -0.000 0.000 0.310 29 V C -1.807 173.598 176.094 -1.149 0.000 1.054 29 V CA -0.939 60.761 62.300 -1.000 0.000 0.928 29 V CB 1.338 32.499 31.823 -1.104 0.000 1.007 29 V HN 0.806 nan 8.190 nan 0.000 0.437 30 Y N 1.352 121.393 120.300 -0.430 0.000 2.406 30 Y HA 0.750 5.300 4.550 -0.000 0.000 0.340 30 Y C -0.020 175.804 175.900 -0.125 0.000 0.975 30 Y CA -0.556 57.418 58.100 -0.210 0.000 1.056 30 Y CB 2.113 40.442 38.460 -0.218 0.000 1.210 30 Y HN 0.903 nan 8.280 nan 0.000 0.448 31 E N 5.083 125.407 120.200 0.206 0.000 2.272 31 E HA 0.778 5.128 4.350 -0.000 0.000 0.269 31 E C -1.229 175.546 176.600 0.291 0.000 0.877 31 E CA -0.840 55.747 56.400 0.311 0.000 0.755 31 E CB 1.562 31.580 29.700 0.529 0.000 1.192 31 E HN 0.724 nan 8.360 nan 0.000 0.422 32 M N 0.474 120.242 119.600 0.279 0.000 2.721 32 M HA 0.552 5.032 4.480 -0.000 0.000 0.271 32 M C -1.464 174.982 176.300 0.243 0.000 1.259 32 M CA -0.849 54.563 55.300 0.187 0.000 0.835 32 M CB 2.189 34.823 32.600 0.056 0.000 1.689 32 M HN 0.259 nan 8.290 nan 0.000 0.470 33 T N 1.478 116.133 114.554 0.169 0.000 2.812 33 T HA 0.679 5.029 4.350 -0.000 0.000 0.282 33 T C -0.829 173.916 174.700 0.075 0.000 0.990 33 T CA -0.519 61.678 62.100 0.161 0.000 0.960 33 T CB 1.917 70.914 68.868 0.216 0.000 0.948 33 T HN 0.495 nan 8.240 nan 0.000 0.438 34 V N 2.133 122.090 119.914 0.071 0.000 2.628 34 V HA 0.654 4.774 4.120 -0.000 0.000 0.306 34 V C -0.251 175.845 176.094 0.003 0.000 1.045 34 V CA -0.843 61.483 62.300 0.044 0.000 0.905 34 V CB 1.837 33.708 31.823 0.079 0.000 0.997 34 V HN 1.077 nan 8.190 nan 0.000 0.436 35 C N 5.029 124.317 119.300 -0.020 0.000 2.431 35 C HA 0.845 5.305 4.460 -0.000 0.000 0.321 35 C C -0.757 174.187 174.990 -0.078 0.000 1.202 35 C CA -0.159 58.830 59.018 -0.048 0.000 1.398 35 C CB 0.741 28.457 27.740 -0.040 0.000 2.047 35 C HN 0.725 nan 8.230 nan 0.000 0.465 36 V N 7.463 127.299 119.914 -0.130 0.000 2.483 36 V HA 0.519 4.639 4.120 -0.000 0.000 0.297 36 V C -0.409 175.515 176.094 -0.282 0.000 1.027 36 V CA -0.287 61.886 62.300 -0.210 0.000 0.855 36 V CB 1.519 33.166 31.823 -0.293 0.000 0.995 36 V HN 0.805 nan 8.190 nan 0.000 0.424 37 L N 5.678 126.762 121.223 -0.232 0.000 2.346 37 L HA 0.677 5.017 4.340 -0.000 0.000 0.274 37 L C -0.765 175.932 176.870 -0.288 0.000 1.007 37 L CA -0.556 54.142 54.840 -0.237 0.000 0.818 37 L CB 2.059 44.082 42.059 -0.060 0.000 1.284 37 L HN 0.390 nan 8.230 nan 0.000 0.424 38 L N 2.010 122.987 121.223 -0.410 0.000 2.342 38 L HA 0.599 4.939 4.340 -0.000 0.000 0.271 38 L C -0.562 176.244 176.870 -0.106 0.000 1.008 38 L CA -0.678 53.951 54.840 -0.351 0.000 0.818 38 L CB 2.205 43.942 42.059 -0.537 0.000 1.296 38 L HN 0.597 nan 8.230 nan 0.000 0.427 39 E N 0.574 120.743 120.200 -0.051 0.000 2.288 39 E HA 0.778 5.128 4.350 -0.000 0.000 0.268 39 E C -0.413 176.187 176.600 -0.000 0.000 0.885 39 E CA -0.645 55.786 56.400 0.053 0.000 0.767 39 E CB 2.944 32.712 29.700 0.112 0.000 1.220 39 E HN 0.787 nan 8.360 nan 0.000 0.427 40 G N 1.068 109.896 108.800 0.047 0.000 2.393 40 G HA2 0.056 4.016 3.960 -0.000 0.000 0.264 40 G HA3 0.056 4.016 3.960 -0.000 0.000 0.264 40 G C -1.250 173.723 174.900 0.121 0.000 1.221 40 G CA -0.823 44.270 45.100 -0.011 0.000 0.912 40 G HN 0.415 nan 8.290 nan 0.000 0.483 41 E N 1.113 121.390 120.200 0.129 0.000 2.148 41 E HA 0.262 4.612 4.350 -0.000 0.000 0.308 41 E C 0.980 177.698 176.600 0.197 0.000 1.278 41 E CA -0.019 56.497 56.400 0.193 0.000 1.368 41 E CB -0.258 29.576 29.700 0.225 0.000 1.229 41 E HN 0.464 nan 8.360 nan 0.000 0.494 42 I N -2.451 118.227 120.570 0.179 0.000 4.081 42 I HA 0.193 4.363 4.170 -0.000 0.000 0.333 42 I C 0.730 176.966 176.117 0.198 0.000 1.413 42 I CA -0.292 61.113 61.300 0.175 0.000 1.110 42 I CB 0.436 38.543 38.000 0.180 0.000 1.082 42 I HN -0.051 nan 8.210 nan 0.000 0.402 43 E N 2.119 122.432 120.200 0.187 0.000 2.130 43 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 43 E C 2.253 178.962 176.600 0.182 0.000 0.998 43 E CA 2.492 59.014 56.400 0.203 0.000 0.806 43 E CB -0.725 29.037 29.700 0.102 0.000 0.738 43 E HN 0.729 nan 8.360 nan 0.000 0.459 44 T N -1.425 113.187 114.554 0.097 0.000 2.881 44 T HA -0.185 4.165 4.350 -0.000 0.000 0.270 44 T C 1.974 176.671 174.700 -0.005 0.000 1.068 44 T CA 1.319 63.446 62.100 0.043 0.000 1.131 44 T CB -0.543 68.336 68.868 0.017 0.000 0.871 44 T HN 0.253 nan 8.240 nan 0.000 0.479 45 S N 0.797 116.463 115.700 -0.057 0.000 2.382 45 S HA -0.131 4.339 4.470 -0.000 0.000 0.228 45 S C 1.794 176.246 174.600 -0.247 0.000 1.027 45 S CA 0.823 58.898 58.200 -0.209 0.000 0.991 45 S CB -0.993 61.980 63.200 -0.378 0.000 0.823 45 S HN 0.662 nan 8.310 nan 0.000 0.469 46 Y N 2.686 122.953 120.300 -0.055 0.000 2.206 46 Y HA 0.020 4.570 4.550 -0.000 0.000 0.292 46 Y C 3.365 179.249 175.900 -0.028 0.000 1.123 46 Y CA 1.288 59.364 58.100 -0.040 0.000 1.142 46 Y CB -0.967 37.476 38.460 -0.029 0.000 1.006 46 Y HN 0.516 nan 8.280 nan 0.000 0.518 47 T N -2.202 112.436 114.554 0.140 0.000 2.978 47 T HA -0.010 4.340 4.350 -0.000 0.000 0.262 47 T C 1.174 175.894 174.700 0.033 0.000 1.063 47 T CA 0.814 62.959 62.100 0.075 0.000 1.140 47 T CB 0.015 68.920 68.868 0.062 0.000 0.886 47 T HN 0.123 nan 8.240 nan 0.000 0.470 48 K N 0.885 121.293 120.400 0.014 0.000 2.483 48 K HA 0.660 4.980 4.320 -0.000 0.000 0.206 48 K C 0.880 177.464 176.600 -0.026 0.000 1.086 48 K CA 0.296 56.580 56.287 -0.005 0.000 1.052 48 K CB 0.590 33.087 32.500 -0.004 0.000 0.904 48 K HN 0.452 nan 8.250 nan 0.000 0.557 49 A N 2.183 124.975 122.820 -0.046 0.000 2.872 49 A HA -0.195 4.125 4.320 -0.000 0.000 0.273 49 A C -0.287 177.249 177.584 -0.080 0.000 1.442 49 A CA 1.091 53.083 52.037 -0.075 0.000 0.801 49 A CB -2.249 16.717 19.000 -0.055 0.000 1.031 49 A HN 0.452 nan 8.150 nan 0.000 0.582 50 D N -0.031 120.321 120.400 -0.081 0.000 2.411 50 D HA 0.428 5.068 4.640 -0.000 0.000 0.225 50 D C 0.929 177.167 176.300 -0.104 0.000 1.156 50 D CA -0.325 53.630 54.000 -0.075 0.000 0.874 50 D CB 0.191 40.959 40.800 -0.053 0.000 1.034 50 D HN 0.222 nan 8.370 nan 0.000 0.502 51 N N 1.510 120.150 118.700 -0.100 0.000 2.461 51 N HA -0.108 4.632 4.740 -0.000 0.000 0.188 51 N C 1.556 177.010 175.510 -0.094 0.000 1.134 51 N CA 0.297 53.279 53.050 -0.113 0.000 0.878 51 N CB 0.170 38.599 38.487 -0.097 0.000 0.972 51 N HN 0.498 nan 8.380 nan 0.000 0.456 52 S N -0.282 115.369 115.700 -0.083 0.000 2.423 52 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 52 S C 1.845 176.373 174.600 -0.121 0.000 1.014 52 S CA 1.029 59.179 58.200 -0.083 0.000 0.965 52 S CB -0.539 62.617 63.200 -0.074 0.000 0.785 52 S HN 0.140 nan 8.310 nan 0.000 0.495 53 V N -1.368 118.471 119.914 -0.125 0.000 3.623 53 V HA 0.433 4.553 4.120 -0.000 0.000 0.271 53 V C 0.509 176.629 176.094 0.043 0.000 1.248 53 V CA -0.345 61.870 62.300 -0.142 0.000 1.156 53 V CB -0.859 30.937 31.823 -0.045 0.000 0.870 53 V HN 0.358 nan 8.190 nan 0.000 0.453 54 I N 1.925 122.468 120.570 -0.046 0.000 2.304 54 I HA 0.320 4.490 4.170 -0.000 0.000 0.291 54 I C -0.033 176.086 176.117 0.003 0.000 1.018 54 I CA -0.425 60.836 61.300 -0.065 0.000 1.260 54 I CB 1.377 39.246 38.000 -0.219 0.000 1.390 54 I HN -0.032 nan 8.210 nan 0.000 0.475 55 V N 6.731 126.685 119.914 0.066 0.000 2.427 55 V HA 0.265 4.385 4.120 -0.000 0.000 0.268 55 V C 0.999 177.149 176.094 0.093 0.000 1.046 55 V CA -0.682 61.606 62.300 -0.020 0.000 0.970 55 V CB 1.038 32.720 31.823 -0.235 0.000 1.001 55 V HN 0.876 nan 8.190 nan 0.000 0.476 56 A N 4.248 127.104 122.820 0.060 0.000 2.531 56 A HA 0.253 4.573 4.320 -0.000 0.000 0.236 56 A C 1.692 179.328 177.584 0.088 0.000 1.062 56 A CA 0.506 52.586 52.037 0.071 0.000 0.760 56 A CB 0.141 19.166 19.000 0.042 0.000 0.995 56 A HN 1.127 nan 8.150 nan 0.000 0.501 57 T N -0.315 114.300 114.554 0.102 0.000 2.833 57 T HA -0.216 4.134 4.350 -0.000 0.000 0.269 57 T C 1.249 175.965 174.700 0.026 0.000 1.054 57 T CA 2.022 64.153 62.100 0.051 0.000 1.135 57 T CB -0.489 68.413 68.868 0.058 0.000 0.869 57 T HN 0.730 nan 8.240 nan 0.000 0.466 58 D N 1.136 121.559 120.400 0.039 0.000 2.149 58 D HA -0.090 4.550 4.640 -0.000 0.000 0.198 58 D C 2.179 178.510 176.300 0.052 0.000 0.990 58 D CA 1.359 55.384 54.000 0.042 0.000 0.839 58 D CB -0.289 40.538 40.800 0.045 0.000 0.948 58 D HN 0.448 nan 8.370 nan 0.000 0.460 59 S N -0.701 115.039 115.700 0.066 0.000 2.428 59 S HA -0.014 4.456 4.470 -0.000 0.000 0.230 59 S C 2.000 176.675 174.600 0.124 0.000 1.014 59 S CA 0.262 58.520 58.200 0.095 0.000 0.957 59 S CB -0.106 63.160 63.200 0.110 0.000 0.784 59 S HN 0.337 nan 8.310 nan 0.000 0.499 60 I N 1.636 122.266 120.570 0.101 0.000 2.252 60 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 60 I C 2.538 178.691 176.117 0.059 0.000 1.102 60 I CA 1.135 62.513 61.300 0.130 0.000 1.385 60 I CB -0.223 37.721 38.000 -0.092 0.000 1.064 60 I HN 0.249 nan 8.210 nan 0.000 0.414 61 K N 1.111 121.495 120.400 -0.027 0.000 2.026 61 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 61 K C 1.939 178.420 176.600 -0.200 0.000 1.048 61 K CA 1.790 57.985 56.287 -0.154 0.000 0.929 61 K CB -0.076 32.366 32.500 -0.097 0.000 0.713 61 K HN 0.229 nan 8.250 nan 0.000 0.439 62 N N 0.395 119.094 118.700 -0.001 0.000 2.094 62 N HA -0.137 4.603 4.740 -0.000 0.000 0.191 62 N C 1.708 177.247 175.510 0.049 0.000 1.023 62 N CA 1.986 55.093 53.050 0.096 0.000 0.857 62 N CB -0.833 37.716 38.487 0.104 0.000 1.013 62 N HN 0.283 nan 8.380 nan 0.000 0.426 63 T N 1.706 116.269 114.554 0.016 0.000 2.788 63 T HA -0.009 4.341 4.350 -0.000 0.000 0.268 63 T C 2.103 176.753 174.700 -0.084 0.000 1.044 63 T CA 0.693 62.749 62.100 -0.073 0.000 1.139 63 T CB -0.213 68.608 68.868 -0.079 0.000 0.867 63 T HN 0.205 nan 8.240 nan 0.000 0.454 64 I N -0.037 120.499 120.570 -0.057 0.000 2.163 64 I HA -0.221 3.949 4.170 -0.000 0.000 0.243 64 I C 2.251 178.410 176.117 0.071 0.000 1.085 64 I CA 1.547 62.828 61.300 -0.031 0.000 1.347 64 I CB -0.468 37.444 38.000 -0.147 0.000 1.044 64 I HN 0.197 nan 8.210 nan 0.000 0.408 65 Y N 0.652 121.003 120.300 0.084 0.000 2.145 65 Y HA -0.174 4.376 4.550 -0.000 0.000 0.286 65 Y C 2.433 178.357 175.900 0.039 0.000 1.145 65 Y CA 1.028 59.164 58.100 0.060 0.000 1.148 65 Y CB -0.857 37.630 38.460 0.045 0.000 0.981 65 Y HN 0.092 nan 8.280 nan 0.000 0.507 66 I N -0.809 119.860 120.570 0.165 0.000 2.226 66 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 66 I C 2.149 178.294 176.117 0.046 0.000 1.100 66 I CA 1.779 63.122 61.300 0.073 0.000 1.374 66 I CB -0.620 37.388 38.000 0.014 0.000 1.057 66 I HN 0.162 nan 8.210 nan 0.000 0.413 67 T N 0.676 115.251 114.554 0.035 0.000 2.788 67 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 67 T C 2.048 176.895 174.700 0.246 0.000 1.044 67 T CA 1.344 63.492 62.100 0.081 0.000 1.139 67 T CB -0.322 68.555 68.868 0.015 0.000 0.867 67 T HN 0.468 nan 8.240 nan 0.000 0.454 68 A N 1.535 124.508 122.820 0.256 0.000 1.972 68 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 68 A C 2.189 179.768 177.584 -0.009 0.000 1.169 68 A CA 1.897 53.938 52.037 0.005 0.000 0.635 68 A CB -0.440 18.510 19.000 -0.083 0.000 0.810 68 A HN 0.376 nan 8.150 nan 0.000 0.446 69 K N 0.127 120.554 120.400 0.045 0.000 2.062 69 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 69 K C 1.872 178.481 176.600 0.015 0.000 1.051 69 K CA 1.802 58.104 56.287 0.025 0.000 0.941 69 K CB -0.292 32.229 32.500 0.036 0.000 0.719 69 K HN 0.566 nan 8.250 nan 0.000 0.440 70 Q N -0.073 119.742 119.800 0.025 0.000 2.403 70 Q HA 0.129 4.469 4.340 -0.000 0.000 0.203 70 Q C -0.361 175.650 176.000 0.019 0.000 0.932 70 Q CA 0.120 55.934 55.803 0.017 0.000 0.945 70 Q CB 0.373 29.118 28.738 0.011 0.000 1.045 70 Q HN 0.257 nan 8.270 nan 0.000 0.511 71 N N 0.188 118.906 118.700 0.030 0.000 2.647 71 N HA 0.377 5.117 4.740 -0.000 0.000 0.266 71 N C -2.930 172.572 175.510 -0.013 0.000 1.373 71 N CA -1.518 51.553 53.050 0.035 0.000 0.807 71 N CB 1.867 40.420 38.487 0.110 0.000 1.513 71 N HN -0.241 nan 8.380 nan 0.000 0.505 72 P HA 0.093 nan 4.420 nan 0.000 0.275 72 P C 0.908 178.104 177.300 -0.173 0.000 1.227 72 P CA -0.326 62.695 63.100 -0.131 0.000 0.781 72 P CB 0.748 32.381 31.700 -0.111 0.000 0.906 73 V N -0.607 119.060 119.914 -0.412 0.000 3.621 73 V HA 0.208 4.328 4.120 -0.000 0.000 0.285 73 V C 0.548 176.391 176.094 -0.418 0.000 1.346 73 V CA 0.465 62.403 62.300 -0.603 0.000 1.104 73 V CB -0.321 31.012 31.823 -0.818 0.000 0.913 73 V HN 0.526 nan 8.190 nan 0.000 0.432 74 T N 2.408 116.712 114.554 -0.417 0.000 2.876 74 T HA 0.614 4.964 4.350 -0.000 0.000 0.289 74 T C -2.890 171.706 174.700 -0.174 0.000 1.014 74 T CA -1.500 60.401 62.100 -0.331 0.000 0.986 74 T CB 2.135 70.691 68.868 -0.519 0.000 1.021 74 T HN 0.319 nan 8.240 nan 0.000 0.458 75 P HA 0.320 nan 4.420 nan 0.000 0.274 75 P C -2.196 175.031 177.300 -0.121 0.000 1.246 75 P CA -1.411 61.637 63.100 -0.087 0.000 0.795 75 P CB 0.400 32.113 31.700 0.023 0.000 1.006 76 P HA -0.123 nan 4.420 nan 0.000 0.220 76 P C 1.107 178.308 177.300 -0.165 0.000 1.148 76 P CA 1.370 64.414 63.100 -0.094 0.000 0.803 76 P CB 0.180 31.818 31.700 -0.104 0.000 0.782 77 E N -0.320 119.675 120.200 -0.342 0.000 2.110 77 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 77 E C 1.952 178.256 176.600 -0.493 0.000 0.988 77 E CA 0.700 56.746 56.400 -0.590 0.000 0.804 77 E CB -0.940 27.936 29.700 -1.373 0.000 0.745 77 E HN 0.148 nan 8.360 nan 0.000 0.458 78 L N -0.380 120.630 121.223 -0.354 0.000 2.023 78 L HA -0.034 4.306 4.340 -0.000 0.000 0.205 78 L C 1.980 178.788 176.870 -0.104 0.000 1.073 78 L CA 1.508 56.236 54.840 -0.186 0.000 0.745 78 L CB -0.647 41.367 42.059 -0.076 0.000 0.900 78 L HN 0.117 nan 8.230 nan 0.000 0.435 79 F N 0.852 120.697 119.950 -0.174 0.000 2.120 79 F HA -0.109 4.418 4.527 -0.000 0.000 0.300 79 F C 2.187 177.919 175.800 -0.113 0.000 1.095 79 F CA 1.735 59.653 58.000 -0.136 0.000 1.249 79 F CB -1.072 37.846 39.000 -0.138 0.000 0.995 79 F HN 0.165 nan 8.300 nan 0.000 0.480 80 G N -1.003 107.643 108.800 -0.256 0.000 2.440 80 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 80 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 80 G C 1.817 176.566 174.900 -0.251 0.000 1.154 80 G CA 1.039 45.971 45.100 -0.280 0.000 0.767 80 G HN 0.448 nan 8.290 nan 0.000 0.552 81 S N 0.466 116.038 115.700 -0.213 0.000 2.355 81 S HA -0.011 4.459 4.470 -0.000 0.000 0.222 81 S C 2.280 176.791 174.600 -0.149 0.000 1.031 81 S CA 0.807 58.913 58.200 -0.156 0.000 0.993 81 S CB -0.222 62.884 63.200 -0.157 0.000 0.859 81 S HN 0.367 nan 8.310 nan 0.000 0.453 82 I N 1.100 121.561 120.570 -0.181 0.000 2.163 82 I HA -0.207 3.963 4.170 -0.000 0.000 0.243 82 I C 2.353 178.354 176.117 -0.194 0.000 1.085 82 I CA 0.970 62.173 61.300 -0.162 0.000 1.347 82 I CB -0.324 37.586 38.000 -0.151 0.000 1.044 82 I HN 0.231 nan 8.210 nan 0.000 0.408 83 L N 1.026 122.038 121.223 -0.351 0.000 2.017 83 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 83 L C 2.306 179.160 176.870 -0.027 0.000 1.073 83 L CA 2.309 56.964 54.840 -0.309 0.000 0.745 83 L CB -1.223 40.491 42.059 -0.575 0.000 0.894 83 L HN 0.200 nan 8.230 nan 0.000 0.432 84 G N -2.453 106.327 108.800 -0.033 0.000 2.403 84 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.216 84 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.216 84 G C 1.440 176.376 174.900 0.060 0.000 1.154 84 G CA 0.968 46.108 45.100 0.068 0.000 0.784 84 G HN 0.414 nan 8.290 nan 0.000 0.538 85 T N 0.037 114.584 114.554 -0.011 0.000 2.746 85 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 85 T C 1.981 176.648 174.700 -0.055 0.000 1.039 85 T CA 1.584 63.666 62.100 -0.029 0.000 1.142 85 T CB -0.344 68.496 68.868 -0.047 0.000 0.866 85 T HN 0.624 nan 8.240 nan 0.000 0.444 86 H N 0.589 119.559 119.070 -0.167 0.000 2.289 86 H HA -0.154 4.402 4.556 -0.000 0.000 0.294 86 H C 1.831 176.979 175.328 -0.301 0.000 1.095 86 H CA 2.003 57.882 56.048 -0.282 0.000 1.256 86 H CB -0.587 28.919 29.762 -0.428 0.000 1.359 86 H HN 0.349 nan 8.280 nan 0.000 0.487 87 F N 0.595 120.526 119.950 -0.033 0.000 2.126 87 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 87 F C 2.628 178.387 175.800 -0.069 0.000 1.096 87 F CA 1.628 59.634 58.000 0.010 0.000 1.255 87 F CB -0.582 38.461 39.000 0.071 0.000 0.997 87 F HN 0.401 nan 8.300 nan 0.000 0.479 88 I N -2.225 118.374 120.570 0.050 0.000 2.676 88 I HA -0.085 4.085 4.170 -0.000 0.000 0.259 88 I C 1.742 177.816 176.117 -0.071 0.000 1.194 88 I CA 1.393 62.690 61.300 -0.005 0.000 1.473 88 I CB -0.545 37.457 38.000 0.004 0.000 1.096 88 I HN 0.131 nan 8.210 nan 0.000 0.443 89 E N 1.460 121.565 120.200 -0.159 0.000 2.122 89 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 89 E C 1.890 178.313 176.600 -0.296 0.000 0.977 89 E CA 0.619 56.903 56.400 -0.193 0.000 0.820 89 E CB 0.083 29.669 29.700 -0.190 0.000 0.770 89 E HN 0.350 nan 8.360 nan 0.000 0.462 90 K N 0.318 120.402 120.400 -0.527 0.000 2.103 90 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 90 K C -0.243 175.906 176.600 -0.753 0.000 1.052 90 K CA 0.929 56.755 56.287 -0.769 0.000 0.945 90 K CB 0.093 31.834 32.500 -1.265 0.000 0.722 90 K HN -0.033 nan 8.250 nan 0.000 0.443 91 Y N 0.997 121.238 120.300 -0.098 0.000 2.334 91 Y HA 0.313 4.863 4.550 -0.000 0.000 0.336 91 Y C 0.611 176.484 175.900 -0.045 0.000 0.960 91 Y CA -1.132 56.956 58.100 -0.021 0.000 1.164 91 Y CB 1.348 39.784 38.460 -0.040 0.000 1.155 91 Y HN -0.031 nan 8.280 nan 0.000 0.478 92 N N 1.225 120.026 118.700 0.168 0.000 2.166 92 N HA -0.189 4.550 4.740 -0.000 0.000 0.186 92 N C 1.571 177.140 175.510 0.099 0.000 1.019 92 N CA 1.480 54.611 53.050 0.134 0.000 0.856 92 N CB -0.187 38.388 38.487 0.146 0.000 0.993 92 N HN 0.779 nan 8.380 nan 0.000 0.426 93 H N -0.853 118.189 119.070 -0.047 0.000 2.539 93 H HA 0.175 4.731 4.556 -0.000 0.000 0.269 93 H C -0.002 175.046 175.328 -0.467 0.000 0.980 93 H CA -0.126 55.812 56.048 -0.183 0.000 1.152 93 H CB 0.148 29.895 29.762 -0.026 0.000 1.407 93 H HN -0.011 nan 8.280 nan 0.000 0.564 94 I N 3.115 123.210 120.570 -0.792 0.000 2.307 94 I HA 0.087 4.257 4.170 -0.000 0.000 0.289 94 I C 0.387 176.208 176.117 -0.494 0.000 1.021 94 I CA -0.487 60.461 61.300 -0.587 0.000 1.224 94 I CB 1.109 38.916 38.000 -0.322 0.000 1.376 94 I HN 0.281 nan 8.210 nan 0.000 0.470 95 H N 4.496 123.537 119.070 -0.049 0.000 2.740 95 H HA 0.501 5.057 4.556 -0.000 0.000 0.265 95 H C 0.412 175.709 175.328 -0.051 0.000 0.978 95 H CA 0.058 56.089 56.048 -0.028 0.000 1.198 95 H CB 1.267 31.027 29.762 -0.002 0.000 1.467 95 H HN 0.624 nan 8.280 nan 0.000 0.511 96 A N 0.649 123.446 122.820 -0.038 0.000 2.547 96 A HA 0.728 5.048 4.320 -0.000 0.000 0.297 96 A C -1.194 176.176 177.584 -0.355 0.000 1.056 96 A CA -0.159 51.778 52.037 -0.166 0.000 0.688 96 A CB 1.450 20.381 19.000 -0.116 0.000 1.282 96 A HN 0.200 nan 8.150 nan 0.000 0.400 97 A N 2.121 124.661 122.820 -0.466 0.000 2.374 97 A HA 0.768 5.088 4.320 -0.000 0.000 0.305 97 A C -1.136 176.090 177.584 -0.597 0.000 1.053 97 A CA -0.551 51.220 52.037 -0.444 0.000 0.726 97 A CB 0.828 19.736 19.000 -0.153 0.000 1.229 97 A HN 0.836 nan 8.150 nan 0.000 0.431 98 H N 1.983 120.988 119.070 -0.108 0.000 2.587 98 H HA 0.469 5.025 4.556 -0.000 0.000 0.325 98 H C -1.053 174.208 175.328 -0.112 0.000 1.012 98 H CA -0.479 55.514 56.048 -0.091 0.000 1.213 98 H CB 1.444 31.157 29.762 -0.083 0.000 1.431 98 H HN 0.327 nan 8.280 nan 0.000 0.492 99 V N 3.834 123.740 119.914 -0.014 0.000 2.417 99 V HA 0.200 4.319 4.120 -0.000 0.000 0.291 99 V C 0.230 176.300 176.094 -0.040 0.000 1.024 99 V CA -0.792 61.477 62.300 -0.053 0.000 0.861 99 V CB 1.721 33.492 31.823 -0.088 0.000 0.985 99 V HN 0.672 nan 8.190 nan 0.000 0.436 100 N N 3.691 122.367 118.700 -0.041 0.000 2.321 100 N HA 0.754 5.494 4.740 -0.000 0.000 0.299 100 N C -1.332 174.157 175.510 -0.035 0.000 1.048 100 N CA -0.473 52.552 53.050 -0.042 0.000 0.836 100 N CB 1.495 39.958 38.487 -0.040 0.000 1.269 100 N HN 0.646 nan 8.380 nan 0.000 0.486 101 I N 2.444 122.987 120.570 -0.045 0.000 2.569 101 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 101 I C -1.033 175.038 176.117 -0.078 0.000 1.088 101 I CA -1.017 60.263 61.300 -0.033 0.000 1.047 101 I CB 2.134 40.132 38.000 -0.004 0.000 1.237 101 I HN 0.159 nan 8.210 nan 0.000 0.421 102 V N 4.855 124.706 119.914 -0.104 0.000 2.409 102 V HA 0.342 4.462 4.120 -0.000 0.000 0.291 102 V C -0.399 175.489 176.094 -0.344 0.000 1.020 102 V CA -0.512 61.663 62.300 -0.208 0.000 0.848 102 V CB 1.638 33.340 31.823 -0.202 0.000 0.990 102 V HN 0.803 nan 8.190 nan 0.000 0.430 103 C N 4.578 123.679 119.300 -0.330 0.000 2.319 103 C HA 0.596 5.056 4.460 -0.000 0.000 0.335 103 C C 0.261 174.996 174.990 -0.424 0.000 1.274 103 C CA -0.758 58.077 59.018 -0.306 0.000 1.806 103 C CB -0.337 27.294 27.740 -0.182 0.000 2.329 103 C HN 0.894 nan 8.230 nan 0.000 0.524 104 H N 0.553 119.580 119.070 -0.072 0.000 2.472 104 H HA 0.455 5.011 4.556 -0.000 0.000 0.335 104 H C 0.065 175.266 175.328 -0.212 0.000 1.136 104 H CA -0.407 55.546 56.048 -0.159 0.000 1.264 104 H CB 0.703 30.332 29.762 -0.222 0.000 1.486 104 H HN 0.494 nan 8.280 nan 0.000 0.517 105 R N 1.887 122.305 120.500 -0.136 0.000 2.347 105 R HA 0.085 4.425 4.340 -0.000 0.000 0.304 105 R C -0.978 175.159 176.300 -0.271 0.000 1.072 105 R CA 0.128 56.151 56.100 -0.129 0.000 0.980 105 R CB 0.510 30.785 30.300 -0.043 0.000 0.986 105 R HN 0.617 nan 8.270 nan 0.000 0.448 106 W N 2.281 123.587 121.300 0.011 0.000 2.516 106 W HA 0.202 4.862 4.660 -0.000 0.000 0.293 106 W C -0.523 176.055 176.519 0.098 0.000 1.006 106 W CA -0.659 56.693 57.345 0.012 0.000 1.483 106 W CB 1.978 31.318 29.460 -0.200 0.000 1.316 106 W HN 0.394 nan 8.180 nan 0.000 0.411 107 T N 3.054 117.862 114.554 0.423 0.000 2.806 107 T HA 0.257 4.607 4.350 -0.000 0.000 0.290 107 T C 0.277 175.220 174.700 0.405 0.000 0.966 107 T CA -0.676 61.631 62.100 0.344 0.000 1.060 107 T CB 0.992 69.987 68.868 0.213 0.000 0.927 107 T HN 0.251 nan 8.240 nan 0.000 0.485 108 R N 3.499 124.207 120.500 0.347 0.000 2.538 108 R HA 0.123 4.463 4.340 -0.000 0.000 0.282 108 R C 0.238 176.532 176.300 -0.010 0.000 1.009 108 R CA 0.070 56.207 56.100 0.060 0.000 1.063 108 R CB 0.215 30.545 30.300 0.051 0.000 0.945 108 R HN 0.619 nan 8.270 nan 0.000 0.414 109 M N 2.676 122.203 119.600 -0.122 0.000 2.240 109 M HA 0.050 4.530 4.480 -0.000 0.000 0.333 109 M C -0.079 176.204 176.300 -0.028 0.000 1.110 109 M CA 0.627 55.895 55.300 -0.055 0.000 1.173 109 M CB 0.727 33.261 32.600 -0.111 0.000 1.458 109 M HN 0.479 nan 8.290 nan 0.000 0.458 110 D N 2.844 123.242 120.400 -0.003 0.000 2.303 110 D HA 0.380 5.020 4.640 -0.000 0.000 0.236 110 D C -1.043 175.259 176.300 0.005 0.000 1.068 110 D CA -0.246 53.757 54.000 0.005 0.000 0.830 110 D CB 1.573 42.381 40.800 0.013 0.000 1.109 110 D HN 0.251 nan 8.370 nan 0.000 0.496 111 I N 2.584 123.163 120.570 0.014 0.000 2.382 111 I HA 0.103 4.273 4.170 -0.000 0.000 0.286 111 I C -0.014 176.110 176.117 0.012 0.000 1.002 111 I CA -0.486 60.824 61.300 0.016 0.000 1.135 111 I CB 1.355 39.384 38.000 0.049 0.000 1.288 111 I HN 0.387 nan 8.210 nan 0.000 0.448 112 D N 5.437 125.841 120.400 0.007 0.000 2.699 112 D HA -0.185 4.455 4.640 -0.000 0.000 0.239 112 D C 1.310 177.611 176.300 0.002 0.000 1.136 112 D CA 1.392 55.394 54.000 0.004 0.000 0.668 112 D CB -0.910 39.892 40.800 0.003 0.000 1.060 112 D HN 1.129 nan 8.370 nan 0.000 0.429 113 G N -0.357 108.446 108.800 0.004 0.000 2.257 113 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.267 113 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.267 113 G C 0.258 175.158 174.900 -0.000 0.000 0.984 113 G CA 1.107 46.209 45.100 0.003 0.000 0.626 113 G HN 0.663 nan 8.290 nan 0.000 0.540 114 K N 0.245 120.641 120.400 -0.006 0.000 2.207 114 K HA 0.616 4.936 4.320 -0.000 0.000 0.255 114 K C -3.331 173.256 176.600 -0.021 0.000 0.941 114 K CA -2.460 53.817 56.287 -0.017 0.000 0.825 114 K CB 2.745 35.227 32.500 -0.031 0.000 1.119 114 K HN -0.031 nan 8.250 nan 0.000 0.430 115 P HA -0.013 nan 4.420 nan 0.000 0.267 115 P C -0.669 176.585 177.300 -0.078 0.000 1.209 115 P CA 0.154 63.235 63.100 -0.032 0.000 0.763 115 P CB 0.207 31.894 31.700 -0.021 0.000 0.816 116 H N 6.763 125.728 119.070 -0.176 0.000 2.683 116 H HA 0.101 4.656 4.556 -0.000 0.000 0.339 116 H C -1.387 173.752 175.328 -0.316 0.000 1.081 116 H CA -1.687 54.205 56.048 -0.260 0.000 1.432 116 H CB 1.161 30.741 29.762 -0.303 0.000 1.462 116 H HN 0.301 nan 8.280 nan 0.000 0.557 117 P HA -0.056 nan 4.420 nan 0.000 0.233 117 P C 0.360 177.623 177.300 -0.062 0.000 1.167 117 P CA 1.287 64.243 63.100 -0.240 0.000 0.770 117 P CB 0.257 31.811 31.700 -0.243 0.000 0.837 118 H N -4.256 114.839 119.070 0.041 0.000 3.334 118 H HA 0.423 4.979 4.556 -0.000 0.000 0.256 118 H C -0.751 174.439 175.328 -0.231 0.000 1.162 118 H CA -0.343 55.710 56.048 0.009 0.000 1.030 118 H CB 0.047 29.881 29.762 0.120 0.000 2.151 118 H HN -0.214 nan 8.280 nan 0.000 0.742 119 S N 1.241 116.613 115.700 -0.547 0.000 2.473 119 S HA 0.599 5.069 4.470 -0.000 0.000 0.307 119 S C -1.075 172.976 174.600 -0.915 0.000 1.094 119 S CA -0.464 57.391 58.200 -0.575 0.000 1.070 119 S CB 1.106 63.961 63.200 -0.575 0.000 1.019 119 S HN 0.266 nan 8.310 nan 0.000 0.480 120 F N 1.686 121.626 119.950 -0.017 0.000 2.603 120 F HA 0.682 5.209 4.527 -0.000 0.000 0.317 120 F C -0.187 175.744 175.800 0.218 0.000 1.066 120 F CA -0.999 57.057 58.000 0.095 0.000 0.941 120 F CB 1.249 40.301 39.000 0.087 0.000 1.291 120 F HN 0.380 nan 8.300 nan 0.000 0.472 121 I N 1.300 122.175 120.570 0.508 0.000 2.686 121 I HA 0.507 4.677 4.170 -0.000 0.000 0.295 121 I C -0.687 175.658 176.117 0.380 0.000 1.114 121 I CA -1.100 60.451 61.300 0.419 0.000 1.038 121 I CB 1.777 39.899 38.000 0.203 0.000 1.238 121 I HN 0.649 nan 8.210 nan 0.000 0.420 122 R N 5.936 126.545 120.500 0.182 0.000 2.893 122 R HA 0.148 4.488 4.340 -0.000 0.000 0.243 122 R C -0.900 175.386 176.300 -0.024 0.000 1.481 122 R CA -0.391 55.628 56.100 -0.135 0.000 1.250 122 R CB -0.571 29.505 30.300 -0.374 0.000 1.213 122 R HN 0.531 nan 8.270 nan 0.000 0.609 123 D N 2.174 122.593 120.400 0.032 0.000 2.351 123 D HA 0.166 4.806 4.640 -0.000 0.000 0.251 123 D C -0.629 175.681 176.300 0.017 0.000 1.137 123 D CA -0.059 53.966 54.000 0.041 0.000 0.879 123 D CB 1.213 42.056 40.800 0.071 0.000 1.181 123 D HN 0.451 nan 8.370 nan 0.000 0.448 124 S N 0.955 116.663 115.700 0.012 0.000 3.446 124 S HA -0.231 4.239 4.470 -0.000 0.000 0.855 124 S C 0.361 174.948 174.600 -0.021 0.000 1.192 124 S CA 0.346 58.549 58.200 0.004 0.000 0.926 124 S CB -0.144 63.071 63.200 0.025 0.000 0.618 124 S HN 0.719 nan 8.310 nan 0.000 0.281 125 E N 1.434 121.626 120.200 -0.012 0.000 2.481 125 E HA 0.239 4.589 4.350 -0.000 0.000 0.198 125 E C 0.527 177.131 176.600 0.007 0.000 1.027 125 E CA 0.378 56.770 56.400 -0.012 0.000 0.900 125 E CB 0.294 29.988 29.700 -0.011 0.000 0.993 125 E HN 0.596 nan 8.360 nan 0.000 0.482 126 E N 1.336 121.548 120.200 0.019 0.000 2.452 126 E HA -0.047 4.303 4.350 -0.000 0.000 0.261 126 E C -0.456 176.168 176.600 0.041 0.000 0.987 126 E CA 0.298 56.724 56.400 0.043 0.000 0.926 126 E CB 0.458 30.203 29.700 0.075 0.000 0.934 126 E HN -0.177 nan 8.360 nan 0.000 0.452 127 K N 3.638 124.059 120.400 0.036 0.000 2.208 127 K HA 0.374 4.694 4.320 -0.000 0.000 0.247 127 K C -0.456 176.172 176.600 0.046 0.000 0.953 127 K CA -0.819 55.461 56.287 -0.012 0.000 0.837 127 K CB 1.735 34.194 32.500 -0.068 0.000 1.131 127 K HN 0.503 nan 8.250 nan 0.000 0.431 128 R N 1.924 122.405 120.500 -0.031 0.000 2.343 128 R HA 0.311 4.651 4.340 -0.000 0.000 0.320 128 R C -0.979 175.251 176.300 -0.116 0.000 0.956 128 R CA -0.255 55.820 56.100 -0.041 0.000 0.836 128 R CB 0.549 30.689 30.300 -0.267 0.000 1.151 128 R HN 0.693 nan 8.270 nan 0.000 0.450 129 N N 1.666 120.303 118.700 -0.105 0.000 2.453 129 N HA 0.597 5.337 4.740 -0.000 0.000 0.290 129 N C -1.471 173.947 175.510 -0.153 0.000 1.250 129 N CA -0.840 52.132 53.050 -0.131 0.000 0.815 129 N CB 2.467 40.881 38.487 -0.121 0.000 1.381 129 N HN 0.333 nan 8.380 nan 0.000 0.510 130 V N -2.521 117.312 119.914 -0.134 0.000 3.048 130 V HA 0.552 4.672 4.120 -0.000 0.000 0.303 130 V C -1.582 174.451 176.094 -0.102 0.000 1.214 130 V CA -0.786 61.433 62.300 -0.135 0.000 0.984 130 V CB 1.893 33.631 31.823 -0.142 0.000 1.054 130 V HN 0.732 nan 8.190 nan 0.000 0.430 131 Q N 2.083 121.830 119.800 -0.087 0.000 2.310 131 Q HA 0.757 5.097 4.340 -0.000 0.000 0.270 131 Q C -2.067 173.915 176.000 -0.030 0.000 1.025 131 Q CA -0.616 55.154 55.803 -0.054 0.000 0.772 131 Q CB 2.367 31.073 28.738 -0.052 0.000 1.253 131 Q HN 0.868 nan 8.270 nan 0.000 0.450 132 V N 4.346 124.246 119.914 -0.023 0.000 2.407 132 V HA 0.345 4.465 4.120 -0.000 0.000 0.291 132 V C -0.832 175.277 176.094 0.024 0.000 1.018 132 V CA -0.774 61.518 62.300 -0.013 0.000 0.842 132 V CB 1.818 33.601 31.823 -0.066 0.000 0.996 132 V HN 0.756 nan 8.190 nan 0.000 0.426 133 D N 3.967 124.404 120.400 0.061 0.000 2.303 133 D HA 0.432 5.072 4.640 -0.000 0.000 0.236 133 D C -0.682 175.631 176.300 0.023 0.000 1.068 133 D CA -0.139 53.916 54.000 0.091 0.000 0.830 133 D CB 2.644 43.563 40.800 0.198 0.000 1.109 133 D HN 0.261 nan 8.370 nan 0.000 0.496 134 V N 3.040 122.920 119.914 -0.057 0.000 2.304 134 V HA 0.210 4.330 4.120 -0.000 0.000 0.278 134 V C 0.091 176.150 176.094 -0.059 0.000 1.018 134 V CA -0.720 61.557 62.300 -0.038 0.000 0.814 134 V CB 1.675 33.473 31.823 -0.042 0.000 1.021 134 V HN 0.256 nan 8.190 nan 0.000 0.440 135 V N 3.908 123.818 119.914 -0.007 0.000 2.384 135 V HA 0.332 4.452 4.120 -0.000 0.000 0.287 135 V C 0.418 176.528 176.094 0.026 0.000 1.020 135 V CA -0.760 61.545 62.300 0.010 0.000 0.850 135 V CB 1.706 33.552 31.823 0.037 0.000 0.987 135 V HN 0.930 nan 8.190 nan 0.000 0.436 136 E N 3.316 123.541 120.200 0.041 0.000 2.585 136 E HA 0.228 4.578 4.350 -0.000 0.000 0.252 136 E C 1.338 177.953 176.600 0.026 0.000 0.981 136 E CA 1.169 57.598 56.400 0.048 0.000 0.943 136 E CB 0.197 29.959 29.700 0.104 0.000 0.923 136 E HN 1.077 nan 8.360 nan 0.000 0.486 137 G N 4.411 113.223 108.800 0.021 0.000 2.205 137 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.261 137 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.261 137 G C 0.612 175.522 174.900 0.018 0.000 0.980 137 G CA 0.642 45.749 45.100 0.013 0.000 0.632 137 G HN 0.608 nan 8.290 nan 0.000 0.533 138 K N 0.152 120.567 120.400 0.025 0.000 2.506 138 K HA 0.483 4.803 4.320 -0.000 0.000 0.204 138 K C 1.390 178.015 176.600 0.041 0.000 1.045 138 K CA 0.267 56.572 56.287 0.029 0.000 1.074 138 K CB 1.228 33.744 32.500 0.028 0.000 0.842 138 K HN 1.339 nan 8.250 nan 0.000 0.514 139 G N 2.119 110.947 108.800 0.048 0.000 2.539 139 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.256 139 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.256 139 G C -0.496 174.453 174.900 0.081 0.000 1.233 139 G CA -0.527 44.616 45.100 0.072 0.000 0.936 139 G HN 0.163 nan 8.290 nan 0.000 0.571 140 I N 1.220 121.869 120.570 0.131 0.000 2.478 140 I HA 0.336 4.506 4.170 -0.000 0.000 0.287 140 I C -1.221 175.003 176.117 0.179 0.000 1.042 140 I CA -0.681 60.706 61.300 0.145 0.000 1.067 140 I CB 2.092 40.187 38.000 0.159 0.000 1.233 140 I HN 0.345 nan 8.210 nan 0.000 0.431 141 D N 7.883 128.356 120.400 0.122 0.000 2.233 141 D HA 0.572 5.212 4.640 -0.000 0.000 0.240 141 D C -0.429 175.951 176.300 0.133 0.000 1.074 141 D CA -0.067 54.002 54.000 0.114 0.000 0.838 141 D CB 2.533 43.378 40.800 0.074 0.000 1.124 141 D HN 0.282 nan 8.370 nan 0.000 0.475 142 I N 1.436 122.126 120.570 0.200 0.000 2.545 142 I HA 0.303 4.473 4.170 -0.000 0.000 0.292 142 I C -0.029 176.241 176.117 0.255 0.000 1.040 142 I CA -0.777 60.638 61.300 0.192 0.000 1.068 142 I CB 1.992 40.100 38.000 0.179 0.000 1.251 142 I HN -0.096 nan 8.210 nan 0.000 0.424 143 K N 4.223 124.683 120.400 0.100 0.000 2.450 143 K HA 0.538 4.857 4.320 -0.000 0.000 0.257 143 K C -1.025 175.488 176.600 -0.145 0.000 0.953 143 K CA -0.441 55.841 56.287 -0.008 0.000 0.844 143 K CB 2.166 34.628 32.500 -0.063 0.000 1.103 143 K HN 0.530 nan 8.250 nan 0.000 0.429 144 S N 1.077 116.560 115.700 -0.361 0.000 2.565 144 S HA 0.591 5.061 4.470 -0.000 0.000 0.290 144 S C -0.535 173.340 174.600 -1.208 0.000 1.150 144 S CA -0.797 57.011 58.200 -0.654 0.000 1.058 144 S CB 1.498 64.331 63.200 -0.612 0.000 1.032 144 S HN 0.700 nan 8.310 nan 0.000 0.510 145 S N 0.813 116.004 115.700 -0.847 0.000 2.625 145 S HA 0.792 5.261 4.470 -0.000 0.000 0.271 145 S C -1.483 173.003 174.600 -0.190 0.000 1.161 145 S CA -1.078 56.707 58.200 -0.691 0.000 0.820 145 S CB 0.678 63.664 63.200 -0.356 0.000 1.137 145 S HN 0.693 nan 8.310 nan 0.000 0.470 146 L N -0.722 120.529 121.223 0.047 0.000 2.370 146 L HA 1.034 5.374 4.340 -0.000 0.000 0.266 146 L C -0.411 176.509 176.870 0.083 0.000 1.002 146 L CA -0.523 54.442 54.840 0.210 0.000 0.818 146 L CB 1.674 43.957 42.059 0.373 0.000 1.325 146 L HN 1.131 nan 8.230 nan 0.000 0.418 147 S N -0.598 115.144 115.700 0.071 0.000 2.615 147 S HA 0.786 5.256 4.470 -0.000 0.000 0.269 147 S C 0.399 175.015 174.600 0.027 0.000 1.161 147 S CA -0.235 57.981 58.200 0.027 0.000 0.817 147 S CB 0.995 64.192 63.200 -0.005 0.000 1.131 147 S HN 2.333 nan 8.310 nan 0.000 0.467 148 G N -0.321 108.484 108.800 0.008 0.000 2.160 148 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.251 148 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.251 148 G C -0.296 174.604 174.900 0.000 0.000 1.008 148 G CA 0.351 45.452 45.100 0.003 0.000 0.724 148 G HN 1.382 nan 8.290 nan 0.000 0.514 149 L N 2.059 123.280 121.223 -0.004 0.000 2.261 149 L HA 0.696 5.036 4.340 -0.000 0.000 0.289 149 L C 0.220 177.046 176.870 -0.073 0.000 1.059 149 L CA -0.081 54.743 54.840 -0.026 0.000 0.816 149 L CB 1.046 43.093 42.059 -0.020 0.000 1.191 149 L HN 0.074 nan 8.230 nan 0.000 0.431 150 T N 5.665 120.173 114.554 -0.076 0.000 2.758 150 T HA 0.636 4.986 4.350 -0.000 0.000 0.285 150 T C -0.419 174.196 174.700 -0.141 0.000 0.981 150 T CA -0.382 61.659 62.100 -0.100 0.000 0.965 150 T CB 1.122 69.957 68.868 -0.054 0.000 0.927 150 T HN 0.539 nan 8.240 nan 0.000 0.448 151 V N 2.137 121.909 119.914 -0.237 0.000 3.001 151 V HA 0.910 5.030 4.120 -0.000 0.000 0.314 151 V C -1.081 174.897 176.094 -0.192 0.000 1.099 151 V CA -1.225 60.888 62.300 -0.311 0.000 0.989 151 V CB 2.127 33.515 31.823 -0.725 0.000 1.040 151 V HN 0.823 nan 8.190 nan 0.000 0.434 152 L N 2.595 123.805 121.223 -0.022 0.000 2.493 152 L HA 0.713 5.053 4.340 -0.000 0.000 0.265 152 L C -0.811 176.171 176.870 0.188 0.000 0.954 152 L CA -0.556 54.323 54.840 0.065 0.000 0.844 152 L CB 1.951 43.954 42.059 -0.092 0.000 1.302 152 L HN 1.031 nan 8.230 nan 0.000 0.405 153 K N 1.692 122.193 120.400 0.169 0.000 2.323 153 K HA 0.424 4.744 4.320 -0.000 0.000 0.259 153 K C 0.121 176.660 176.600 -0.103 0.000 0.947 153 K CA -0.262 56.021 56.287 -0.007 0.000 0.819 153 K CB 1.848 34.216 32.500 -0.219 0.000 1.109 153 K HN 0.548 nan 8.250 nan 0.000 0.429 154 S N 1.302 116.938 115.700 -0.107 0.000 2.607 154 S HA -0.020 4.450 4.470 -0.000 0.000 0.224 154 S C 0.671 175.214 174.600 -0.096 0.000 0.969 154 S CA 0.485 58.601 58.200 -0.139 0.000 0.927 154 S CB -0.115 63.020 63.200 -0.109 0.000 0.772 154 S HN 0.801 nan 8.310 nan 0.000 0.533 155 T N 0.229 114.739 114.554 -0.073 0.000 2.649 155 T HA 0.377 4.727 4.350 -0.000 0.000 0.305 155 T C -1.381 173.292 174.700 -0.045 0.000 1.409 155 T CA -0.375 61.706 62.100 -0.031 0.000 1.021 155 T CB 0.172 69.041 68.868 0.002 0.000 1.726 155 T HN 0.009 nan 8.240 nan 0.000 0.475 156 N N 0.352 119.048 118.700 -0.007 0.000 2.721 156 N HA -0.124 4.615 4.740 -0.000 0.000 0.249 156 N C -0.980 174.502 175.510 -0.045 0.000 1.072 156 N CA 1.467 54.508 53.050 -0.016 0.000 0.710 156 N CB -1.131 37.328 38.487 -0.048 0.000 0.993 156 N HN 0.661 nan 8.380 nan 0.000 0.547 157 S N -0.687 115.002 115.700 -0.019 0.000 2.538 157 S HA 0.713 5.183 4.470 -0.000 0.000 0.288 157 S C -0.684 173.944 174.600 0.047 0.000 1.108 157 S CA -0.579 57.606 58.200 -0.025 0.000 0.971 157 S CB 1.394 64.554 63.200 -0.066 0.000 1.041 157 S HN 0.218 nan 8.310 nan 0.000 0.483 158 Q N 1.889 121.722 119.800 0.056 0.000 2.587 158 Q HA 0.733 5.073 4.340 -0.000 0.000 0.293 158 Q C -1.808 174.261 176.000 0.115 0.000 1.083 158 Q CA -0.831 55.027 55.803 0.091 0.000 0.792 158 Q CB 1.983 30.791 28.738 0.117 0.000 1.484 158 Q HN 0.583 nan 8.270 nan 0.000 0.446 159 F N 2.370 122.238 119.950 -0.136 0.000 3.240 159 F HA 0.444 4.971 4.527 -0.000 0.000 0.370 159 F C -2.131 173.653 175.800 -0.026 0.000 1.271 159 F CA -0.592 57.314 58.000 -0.157 0.000 1.224 159 F CB 0.838 39.783 39.000 -0.092 0.000 1.624 159 F HN 0.667 nan 8.300 nan 0.000 0.658 160 W N 2.554 123.576 121.300 -0.463 0.000 3.039 160 W HA 0.624 5.284 4.660 -0.000 0.000 0.354 160 W C 0.507 176.774 176.519 -0.420 0.000 1.206 160 W CA -1.372 55.640 57.345 -0.555 0.000 1.134 160 W CB 0.932 29.812 29.460 -0.965 0.000 1.493 160 W HN 1.137 nan 8.180 nan 0.000 0.591 161 G N 1.028 109.782 108.800 -0.077 0.000 2.225 161 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.267 161 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.267 161 G C -0.405 174.334 174.900 -0.269 0.000 1.024 161 G CA 0.642 45.685 45.100 -0.094 0.000 0.784 161 G HN 0.805 nan 8.290 nan 0.000 0.507 162 F N -1.736 118.032 119.950 -0.305 0.000 2.380 162 F HA 0.779 5.306 4.527 -0.000 0.000 0.319 162 F C 0.819 176.557 175.800 -0.103 0.000 1.113 162 F CA -2.240 55.609 58.000 -0.250 0.000 1.056 162 F CB 0.602 39.362 39.000 -0.401 0.000 1.289 162 F HN 0.090 nan 8.300 nan 0.000 0.515 163 L N 1.953 123.270 121.223 0.157 0.000 2.485 163 L HA 0.278 4.618 4.340 -0.000 0.000 0.275 163 L C -0.384 176.557 176.870 0.119 0.000 1.207 163 L CA 0.158 55.054 54.840 0.094 0.000 0.855 163 L CB 0.249 42.374 42.059 0.110 0.000 1.114 163 L HN 0.716 nan 8.230 nan 0.000 0.485 164 R N 3.693 124.216 120.500 0.039 0.000 2.575 164 R HA 0.460 4.800 4.340 -0.000 0.000 0.293 164 R C -1.486 174.852 176.300 0.064 0.000 0.983 164 R CA -0.767 55.362 56.100 0.048 0.000 0.887 164 R CB 1.847 32.120 30.300 -0.045 0.000 1.184 164 R HN 0.770 nan 8.270 nan 0.000 0.445 165 D N -0.005 120.454 120.400 0.099 0.000 3.057 165 D HA -0.055 4.585 4.640 -0.000 0.000 0.328 165 D C 0.477 176.812 176.300 0.059 0.000 1.317 165 D CA -0.666 53.388 54.000 0.090 0.000 0.973 165 D CB 0.015 40.901 40.800 0.145 0.000 1.424 165 D HN 0.410 nan 8.370 nan 0.000 0.569 166 E N -0.583 119.616 120.200 -0.002 0.000 2.478 166 E HA -0.132 4.218 4.350 -0.000 0.000 0.198 166 E C 0.419 176.840 176.600 -0.299 0.000 1.046 166 E CA 0.820 57.123 56.400 -0.162 0.000 0.870 166 E CB -0.379 29.169 29.700 -0.253 0.000 0.818 166 E HN 0.531 nan 8.360 nan 0.000 0.527 167 Y N 1.250 121.573 120.300 0.037 0.000 2.449 167 Y HA 0.193 4.743 4.550 -0.000 0.000 0.254 167 Y C 0.738 176.669 175.900 0.052 0.000 1.140 167 Y CA 0.171 58.294 58.100 0.039 0.000 1.272 167 Y CB 0.825 39.308 38.460 0.038 0.000 1.114 167 Y HN -0.140 nan 8.280 nan 0.000 0.525 168 T N 0.069 114.730 114.554 0.179 0.000 2.845 168 T HA 0.265 4.614 4.350 -0.000 0.000 0.288 168 T C 1.072 175.842 174.700 0.117 0.000 0.980 168 T CA 0.243 62.445 62.100 0.170 0.000 1.071 168 T CB 1.296 70.284 68.868 0.200 0.000 0.941 168 T HN 0.350 nan 8.240 nan 0.000 0.487 169 T N -0.158 114.466 114.554 0.117 0.000 3.009 169 T HA 0.212 4.562 4.350 -0.000 0.000 0.267 169 T C 0.369 175.128 174.700 0.098 0.000 0.942 169 T CA -0.456 61.692 62.100 0.080 0.000 0.883 169 T CB -0.123 68.772 68.868 0.046 0.000 1.192 169 T HN 0.312 nan 8.240 nan 0.000 0.524 170 L N 2.764 124.076 121.223 0.149 0.000 2.410 170 L HA 0.485 4.825 4.340 -0.000 0.000 0.273 170 L C 0.058 177.095 176.870 0.278 0.000 1.144 170 L CA -0.068 54.878 54.840 0.176 0.000 0.863 170 L CB 0.339 42.483 42.059 0.142 0.000 1.140 170 L HN 0.035 nan 8.230 nan 0.000 0.463 171 K N 3.748 124.272 120.400 0.207 0.000 2.270 171 K HA 0.220 4.540 4.320 -0.000 0.000 0.276 171 K C -0.177 176.604 176.600 0.302 0.000 1.023 171 K CA -0.232 56.184 56.287 0.213 0.000 0.955 171 K CB 0.555 33.149 32.500 0.157 0.000 0.975 171 K HN 0.638 nan 8.250 nan 0.000 0.471 172 E N 0.576 120.933 120.200 0.263 0.000 2.392 172 E HA 0.110 4.460 4.350 -0.000 0.000 0.259 172 E C -0.285 176.446 176.600 0.219 0.000 1.108 172 E CA -0.075 56.453 56.400 0.214 0.000 0.916 172 E CB 1.280 31.013 29.700 0.054 0.000 0.989 172 E HN 0.408 nan 8.360 nan 0.000 0.432 173 T N 0.164 114.720 114.554 0.004 0.000 2.982 173 T HA 0.224 4.573 4.350 -0.000 0.000 0.321 173 T C -0.958 173.737 174.700 -0.008 0.000 1.229 173 T CA -0.663 61.549 62.100 0.186 0.000 1.044 173 T CB 0.630 69.649 68.868 0.252 0.000 1.184 173 T HN 0.596 nan 8.240 nan 0.000 0.477 174 W N 1.898 123.323 121.300 0.208 0.000 3.127 174 W HA 0.289 4.949 4.660 -0.000 0.000 0.344 174 W C 0.065 176.684 176.519 0.167 0.000 1.151 174 W CA -0.269 57.196 57.345 0.200 0.000 1.765 174 W CB 0.575 30.072 29.460 0.063 0.000 1.085 174 W HN 0.645 nan 8.180 nan 0.000 0.596 175 D N 0.660 121.242 120.400 0.303 0.000 2.764 175 D HA 0.241 4.881 4.640 -0.000 0.000 0.227 175 D C -0.529 175.882 176.300 0.186 0.000 1.347 175 D CA -0.178 53.949 54.000 0.210 0.000 0.953 175 D CB 1.119 42.035 40.800 0.194 0.000 1.476 175 D HN -0.015 nan 8.370 nan 0.000 0.585 176 R N 2.201 122.779 120.500 0.130 0.000 2.781 176 R HA 0.660 5.000 4.340 -0.000 0.000 0.269 176 R C -0.943 175.367 176.300 0.016 0.000 1.025 176 R CA -1.001 55.168 56.100 0.115 0.000 0.914 176 R CB 0.768 31.156 30.300 0.146 0.000 1.236 176 R HN 0.225 nan 8.270 nan 0.000 0.465 177 I N 1.636 122.182 120.570 -0.041 0.000 2.395 177 I HA 0.196 4.366 4.170 -0.000 0.000 0.289 177 I C -0.679 175.390 176.117 -0.081 0.000 1.023 177 I CA -0.831 60.373 61.300 -0.161 0.000 1.350 177 I CB 1.434 39.212 38.000 -0.371 0.000 1.409 177 I HN 0.392 nan 8.210 nan 0.000 0.507 178 L N 6.996 128.172 121.223 -0.079 0.000 2.319 178 L HA 0.529 4.869 4.340 -0.000 0.000 0.281 178 L C -0.531 176.383 176.870 0.075 0.000 1.005 178 L CA 0.338 55.174 54.840 -0.005 0.000 0.828 178 L CB 1.462 43.508 42.059 -0.021 0.000 1.227 178 L HN 0.513 nan 8.230 nan 0.000 0.415 179 S N 3.150 118.871 115.700 0.035 0.000 2.538 179 S HA 0.861 5.331 4.470 -0.000 0.000 0.288 179 S C -0.843 173.749 174.600 -0.014 0.000 1.108 179 S CA -0.259 57.957 58.200 0.026 0.000 0.971 179 S CB 1.342 64.564 63.200 0.037 0.000 1.041 179 S HN 0.839 nan 8.310 nan 0.000 0.483 180 T N 2.513 117.026 114.554 -0.068 0.000 2.840 180 T HA 0.428 4.777 4.350 -0.000 0.000 0.317 180 T C -2.241 172.389 174.700 -0.117 0.000 1.401 180 T CA -0.621 61.425 62.100 -0.090 0.000 1.028 180 T CB 1.357 70.183 68.868 -0.070 0.000 1.317 180 T HN 0.558 nan 8.240 nan 0.000 0.495 181 D N 1.725 122.078 120.400 -0.079 0.000 2.177 181 D HA 0.535 5.175 4.640 -0.000 0.000 0.247 181 D C -0.350 175.923 176.300 -0.045 0.000 1.063 181 D CA -0.068 53.893 54.000 -0.064 0.000 0.867 181 D CB 1.861 42.637 40.800 -0.040 0.000 1.168 181 D HN 0.297 nan 8.370 nan 0.000 0.445 182 V N 2.403 122.296 119.914 -0.036 0.000 2.435 182 V HA 0.290 4.410 4.120 -0.000 0.000 0.290 182 V C 0.048 176.163 176.094 0.035 0.000 1.030 182 V CA -0.631 61.684 62.300 0.025 0.000 0.881 182 V CB 1.963 33.812 31.823 0.043 0.000 0.983 182 V HN 0.421 nan 8.190 nan 0.000 0.445 183 D N 3.335 123.764 120.400 0.049 0.000 2.505 183 D HA 0.654 5.294 4.640 -0.000 0.000 0.250 183 D C -0.734 175.528 176.300 -0.063 0.000 1.164 183 D CA -0.043 53.958 54.000 0.001 0.000 0.870 183 D CB 2.112 42.909 40.800 -0.005 0.000 1.160 183 D HN 0.731 nan 8.370 nan 0.000 0.549 184 A N 2.622 125.366 122.820 -0.128 0.000 2.343 184 A HA 0.652 4.972 4.320 -0.000 0.000 0.308 184 A C -0.449 177.056 177.584 -0.132 0.000 1.092 184 A CA -0.512 51.317 52.037 -0.345 0.000 0.751 184 A CB 1.561 20.290 19.000 -0.452 0.000 1.203 184 A HN 0.335 nan 8.150 nan 0.000 0.452 185 T N 2.713 117.167 114.554 -0.166 0.000 2.841 185 T HA 0.572 4.922 4.350 -0.000 0.000 0.285 185 T C -0.995 173.699 174.700 -0.011 0.000 0.991 185 T CA -0.049 61.935 62.100 -0.192 0.000 0.966 185 T CB 0.476 69.240 68.868 -0.173 0.000 0.962 185 T HN 0.715 nan 8.240 nan 0.000 0.438 186 W N 2.735 123.942 121.300 -0.155 0.000 2.471 186 W HA 0.696 5.356 4.660 -0.000 0.000 0.318 186 W C -0.317 176.063 176.519 -0.230 0.000 1.034 186 W CA -1.179 56.027 57.345 -0.232 0.000 1.224 186 W CB 0.656 29.921 29.460 -0.325 0.000 1.335 186 W HN 0.510 nan 8.180 nan 0.000 0.452 187 Q N 3.552 123.315 119.800 -0.063 0.000 2.331 187 Q HA 0.290 4.630 4.340 -0.000 0.000 0.257 187 Q C -0.914 175.047 176.000 -0.065 0.000 0.957 187 Q CA -0.556 55.221 55.803 -0.043 0.000 0.923 187 Q CB 0.814 29.544 28.738 -0.014 0.000 1.212 187 Q HN 0.643 nan 8.270 nan 0.000 0.443 188 W N 3.779 125.123 121.300 0.074 0.000 2.184 188 W HA 0.167 4.827 4.660 -0.000 0.000 0.338 188 W C 0.587 177.000 176.519 -0.178 0.000 1.257 188 W CA -0.379 56.978 57.345 0.019 0.000 1.243 188 W CB 0.498 30.049 29.460 0.152 0.000 1.122 188 W HN 0.429 nan 8.180 nan 0.000 0.585 189 K N 3.782 124.170 120.400 -0.020 0.000 2.355 189 K HA -0.056 4.264 4.320 -0.000 0.000 0.270 189 K C 0.274 176.592 176.600 -0.470 0.000 1.003 189 K CA -0.344 55.836 56.287 -0.178 0.000 0.957 189 K CB 0.391 32.811 32.500 -0.133 0.000 0.939 189 K HN 0.639 nan 8.250 nan 0.000 0.482 190 N N 2.671 121.205 118.700 -0.277 0.000 2.356 190 N HA -0.076 4.664 4.740 -0.000 0.000 0.252 190 N C -1.166 174.155 175.510 -0.314 0.000 1.241 190 N CA 0.333 53.243 53.050 -0.233 0.000 0.861 190 N CB 0.073 38.518 38.487 -0.069 0.000 1.075 190 N HN 0.314 nan 8.380 nan 0.000 0.461 191 F N 0.577 120.582 119.950 0.092 0.000 2.425 191 F HA 0.191 4.718 4.527 -0.000 0.000 0.331 191 F C 1.860 177.700 175.800 0.068 0.000 1.085 191 F CA -0.750 57.307 58.000 0.095 0.000 1.028 191 F CB 1.543 40.605 39.000 0.103 0.000 1.177 191 F HN 0.532 nan 8.300 nan 0.000 0.487 192 S N 0.123 115.978 115.700 0.259 0.000 2.423 192 S HA 0.395 4.865 4.470 -0.000 0.000 0.231 192 S C 0.776 175.448 174.600 0.119 0.000 1.014 192 S CA 0.597 58.883 58.200 0.144 0.000 0.965 192 S CB -0.398 62.869 63.200 0.111 0.000 0.785 192 S HN 1.071 nan 8.310 nan 0.000 0.495 193 G N -0.001 108.882 108.800 0.137 0.000 2.321 193 G HA2 0.388 4.347 3.960 -0.000 0.000 0.296 193 G HA3 0.388 4.347 3.960 -0.000 0.000 0.296 193 G C -0.222 174.702 174.900 0.039 0.000 1.287 193 G CA -0.277 44.866 45.100 0.073 0.000 0.846 193 G HN 0.251 nan 8.290 nan 0.000 0.508 194 L N -0.109 121.113 121.223 -0.001 0.000 2.046 194 L HA 0.012 4.352 4.340 -0.000 0.000 0.208 194 L C 2.692 179.531 176.870 -0.052 0.000 1.077 194 L CA 2.981 57.798 54.840 -0.039 0.000 0.747 194 L CB -0.586 41.447 42.059 -0.044 0.000 0.896 194 L HN 0.619 nan 8.230 nan 0.000 0.432 195 Q N 0.120 119.898 119.800 -0.037 0.000 2.135 195 Q HA -0.258 4.081 4.340 -0.000 0.000 0.204 195 Q C 2.237 178.197 176.000 -0.068 0.000 0.981 195 Q CA 2.109 57.884 55.803 -0.048 0.000 0.856 195 Q CB -0.302 28.416 28.738 -0.034 0.000 0.902 195 Q HN 0.710 nan 8.270 nan 0.000 0.425 196 E N -1.209 118.968 120.200 -0.039 0.000 2.072 196 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 196 E C 1.834 178.355 176.600 -0.132 0.000 0.985 196 E CA 1.243 57.616 56.400 -0.045 0.000 0.801 196 E CB 0.132 29.900 29.700 0.114 0.000 0.750 196 E HN 0.240 nan 8.360 nan 0.000 0.452 197 V N 1.333 121.139 119.914 -0.179 0.000 2.343 197 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 197 V C 2.381 178.393 176.094 -0.138 0.000 1.051 197 V CA 1.971 64.086 62.300 -0.308 0.000 1.036 197 V CB -0.527 31.126 31.823 -0.283 0.000 0.654 197 V HN 0.269 nan 8.190 nan 0.000 0.451 198 R N 0.769 121.202 120.500 -0.111 0.000 2.127 198 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 198 R C 2.494 178.722 176.300 -0.119 0.000 1.134 198 R CA 1.733 57.784 56.100 -0.083 0.000 0.975 198 R CB -0.559 29.697 30.300 -0.074 0.000 0.865 198 R HN 0.702 nan 8.270 nan 0.000 0.447 199 S N -0.635 114.948 115.700 -0.195 0.000 2.489 199 S HA -0.091 4.379 4.470 -0.000 0.000 0.228 199 S C 1.197 175.591 174.600 -0.343 0.000 0.995 199 S CA 0.731 58.772 58.200 -0.265 0.000 0.934 199 S CB -0.157 62.853 63.200 -0.316 0.000 0.771 199 S HN 0.470 nan 8.310 nan 0.000 0.522 200 H N -0.035 118.889 119.070 -0.243 0.000 2.529 200 H HA 0.393 4.949 4.556 -0.000 0.000 0.277 200 H C 1.651 176.632 175.328 -0.580 0.000 1.004 200 H CA 0.153 55.958 56.048 -0.406 0.000 1.167 200 H CB 0.266 29.693 29.762 -0.559 0.000 1.445 200 H HN 0.160 nan 8.280 nan 0.000 0.554 201 V N 1.891 121.679 119.914 -0.210 0.000 2.257 201 V HA -0.294 3.826 4.120 -0.000 0.000 0.257 201 V C -0.478 175.546 176.094 -0.116 0.000 1.077 201 V CA 2.327 64.580 62.300 -0.078 0.000 1.063 201 V CB -1.050 30.786 31.823 0.022 0.000 0.664 201 V HN 0.457 nan 8.190 nan 0.000 0.450 202 P HA -0.117 nan 4.420 nan 0.000 0.222 202 P C 1.385 178.661 177.300 -0.040 0.000 1.147 202 P CA 1.221 64.300 63.100 -0.035 0.000 0.790 202 P CB -0.107 31.581 31.700 -0.021 0.000 0.780 203 K N -1.673 118.613 120.400 -0.189 0.000 2.288 203 K HA -0.047 4.273 4.320 -0.000 0.000 0.201 203 K C 1.609 178.245 176.600 0.060 0.000 1.048 203 K CA 0.986 57.205 56.287 -0.113 0.000 0.956 203 K CB -0.415 31.961 32.500 -0.206 0.000 0.746 203 K HN 0.130 nan 8.250 nan 0.000 0.461 204 F N 1.766 121.807 119.950 0.151 0.000 2.128 204 F HA -0.129 4.398 4.527 -0.000 0.000 0.295 204 F C 1.933 177.950 175.800 0.362 0.000 1.100 204 F CA 1.119 59.264 58.000 0.243 0.000 1.260 204 F CB -0.580 38.439 39.000 0.033 0.000 1.009 204 F HN -0.029 nan 8.300 nan 0.000 0.476 205 D N -0.065 120.590 120.400 0.424 0.000 2.149 205 D HA -0.051 4.589 4.640 -0.000 0.000 0.201 205 D C 2.326 178.883 176.300 0.427 0.000 0.972 205 D CA 1.305 55.539 54.000 0.389 0.000 0.835 205 D CB -0.569 40.377 40.800 0.242 0.000 0.966 205 D HN 0.179 nan 8.370 nan 0.000 0.476 206 A N 0.109 123.107 122.820 0.298 0.000 1.930 206 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 206 A C 2.270 179.969 177.584 0.190 0.000 1.175 206 A CA 1.810 53.972 52.037 0.209 0.000 0.627 206 A CB -0.776 18.305 19.000 0.134 0.000 0.815 206 A HN 0.204 nan 8.150 nan 0.000 0.443 207 T N -1.805 112.915 114.554 0.276 0.000 2.951 207 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 207 T C 1.414 176.097 174.700 -0.028 0.000 1.073 207 T CA 1.243 63.411 62.100 0.114 0.000 1.134 207 T CB -0.272 68.718 68.868 0.203 0.000 0.884 207 T HN 0.788 nan 8.240 nan 0.000 0.479 208 W N 2.173 123.564 121.300 0.152 0.000 2.409 208 W HA 0.139 4.799 4.660 -0.000 0.000 0.299 208 W C 2.397 178.933 176.519 0.029 0.000 1.203 208 W CA 0.687 58.159 57.345 0.211 0.000 1.298 208 W CB -0.476 29.241 29.460 0.427 0.000 1.127 208 W HN 0.185 nan 8.180 nan 0.000 0.528 209 A N 0.130 122.937 122.820 -0.021 0.000 1.902 209 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 209 A C 1.911 179.297 177.584 -0.330 0.000 1.181 209 A CA 2.459 54.318 52.037 -0.296 0.000 0.623 209 A CB -1.341 17.688 19.000 0.047 0.000 0.818 209 A HN 0.323 nan 8.150 nan 0.000 0.443 210 T N 0.175 114.585 114.554 -0.241 0.000 2.777 210 T HA 0.036 4.386 4.350 -0.000 0.000 0.266 210 T C 2.229 176.722 174.700 -0.346 0.000 1.040 210 T CA 1.467 63.418 62.100 -0.248 0.000 1.141 210 T CB -0.410 68.332 68.868 -0.209 0.000 0.868 210 T HN 0.582 nan 8.240 nan 0.000 0.444 211 A N 1.485 123.985 122.820 -0.533 0.000 1.930 211 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 211 A C 2.312 179.669 177.584 -0.379 0.000 1.175 211 A CA 1.471 53.156 52.037 -0.587 0.000 0.627 211 A CB -0.516 17.751 19.000 -1.223 0.000 0.815 211 A HN 0.363 nan 8.150 nan 0.000 0.443 212 R N -0.359 119.853 120.500 -0.480 0.000 2.066 212 R HA -0.159 4.181 4.340 -0.000 0.000 0.232 212 R C 2.313 178.467 176.300 -0.244 0.000 1.131 212 R CA 1.690 57.555 56.100 -0.391 0.000 0.955 212 R CB -0.276 29.624 30.300 -0.667 0.000 0.851 212 R HN 0.760 nan 8.270 nan 0.000 0.432 213 E N -0.081 119.970 120.200 -0.250 0.000 2.031 213 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 213 E C 1.861 178.398 176.600 -0.105 0.000 0.994 213 E CA 1.616 57.924 56.400 -0.154 0.000 0.800 213 E CB 0.016 29.630 29.700 -0.142 0.000 0.752 213 E HN 0.178 nan 8.360 nan 0.000 0.447 214 V N 1.120 120.964 119.914 -0.117 0.000 2.392 214 V HA -0.271 3.849 4.120 -0.000 0.000 0.249 214 V C 2.422 178.492 176.094 -0.039 0.000 1.059 214 V CA 2.208 64.460 62.300 -0.080 0.000 1.051 214 V CB -0.751 31.013 31.823 -0.097 0.000 0.658 214 V HN 0.420 nan 8.190 nan 0.000 0.455 215 T N 0.103 114.642 114.554 -0.026 0.000 2.674 215 T HA -0.138 4.212 4.350 -0.000 0.000 0.265 215 T C 1.852 176.573 174.700 0.036 0.000 1.039 215 T CA 1.378 63.498 62.100 0.033 0.000 1.150 215 T CB -0.281 68.635 68.868 0.080 0.000 0.864 215 T HN 0.147 nan 8.240 nan 0.000 0.427 216 L N 1.157 122.382 121.223 0.003 0.000 2.027 216 L HA 0.059 4.399 4.340 -0.000 0.000 0.206 216 L C 2.414 179.333 176.870 0.081 0.000 1.074 216 L CA 1.662 56.524 54.840 0.036 0.000 0.745 216 L CB -0.882 41.170 42.059 -0.012 0.000 0.898 216 L HN 0.164 nan 8.230 nan 0.000 0.433 217 K N -1.125 119.291 120.400 0.027 0.000 2.057 217 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 217 K C 1.902 178.513 176.600 0.018 0.000 1.049 217 K CA 1.807 58.103 56.287 0.016 0.000 0.931 217 K CB 0.018 32.511 32.500 -0.013 0.000 0.714 217 K HN 0.304 nan 8.250 nan 0.000 0.440 218 T N 0.790 115.352 114.554 0.014 0.000 2.821 218 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 218 T C 1.367 176.074 174.700 0.012 0.000 1.046 218 T CA 1.135 63.231 62.100 -0.005 0.000 1.139 218 T CB -0.292 68.558 68.868 -0.030 0.000 0.871 218 T HN 0.253 nan 8.240 nan 0.000 0.454 219 F N 2.350 122.257 119.950 -0.071 0.000 2.075 219 F HA 0.027 4.554 4.527 -0.000 0.000 0.297 219 F C 2.441 178.210 175.800 -0.053 0.000 1.113 219 F CA 1.136 59.096 58.000 -0.068 0.000 1.218 219 F CB -0.687 38.277 39.000 -0.061 0.000 0.984 219 F HN 0.130 nan 8.300 nan 0.000 0.472 220 A N -0.368 122.463 122.820 0.019 0.000 1.969 220 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 220 A C 2.076 179.585 177.584 -0.124 0.000 1.169 220 A CA 1.841 53.838 52.037 -0.067 0.000 0.635 220 A CB -0.688 18.350 19.000 0.062 0.000 0.810 220 A HN 0.600 nan 8.150 nan 0.000 0.445 221 E N -0.690 119.456 120.200 -0.090 0.000 2.364 221 E HA 0.004 4.354 4.350 -0.000 0.000 0.196 221 E C -0.377 176.171 176.600 -0.086 0.000 0.990 221 E CA -0.176 56.180 56.400 -0.073 0.000 0.886 221 E CB 0.138 29.814 29.700 -0.040 0.000 0.866 221 E HN 0.473 nan 8.360 nan 0.000 0.493 222 D N 1.213 121.544 120.400 -0.115 0.000 2.383 222 D HA 0.015 4.655 4.640 -0.000 0.000 0.252 222 D C -0.530 175.702 176.300 -0.113 0.000 1.166 222 D CA 0.112 54.052 54.000 -0.100 0.000 0.879 222 D CB 0.464 41.203 40.800 -0.102 0.000 1.164 222 D HN -0.129 nan 8.370 nan 0.000 0.462 223 N N 2.465 121.129 118.700 -0.059 0.000 2.699 223 N HA 0.174 4.914 4.740 -0.000 0.000 0.232 223 N C -1.580 173.924 175.510 -0.010 0.000 1.027 223 N CA -0.230 52.800 53.050 -0.034 0.000 0.920 223 N CB 0.499 38.989 38.487 0.005 0.000 1.148 223 N HN 0.197 nan 8.380 nan 0.000 0.509 224 S N 1.356 117.035 115.700 -0.035 0.000 2.599 224 S HA 0.756 5.226 4.470 -0.000 0.000 0.294 224 S C 0.282 174.862 174.600 -0.035 0.000 1.094 224 S CA -0.503 57.679 58.200 -0.031 0.000 0.931 224 S CB 1.362 64.529 63.200 -0.055 0.000 1.093 224 S HN 0.454 nan 8.310 nan 0.000 0.488 225 A N 1.874 124.649 122.820 -0.075 0.000 2.423 225 A HA 0.545 4.865 4.320 -0.000 0.000 0.246 225 A C 0.477 178.009 177.584 -0.087 0.000 1.278 225 A CA -0.149 51.798 52.037 -0.150 0.000 0.903 225 A CB -0.136 18.551 19.000 -0.522 0.000 0.997 225 A HN 0.566 nan 8.150 nan 0.000 0.510 226 S N -1.049 114.605 115.700 -0.076 0.000 2.594 226 S HA 0.429 4.899 4.470 -0.000 0.000 0.296 226 S C 0.721 175.277 174.600 -0.074 0.000 1.124 226 S CA -0.426 57.738 58.200 -0.060 0.000 1.011 226 S CB 1.625 64.785 63.200 -0.068 0.000 1.016 226 S HN 0.065 nan 8.310 nan 0.000 0.485 227 V N 4.993 124.849 119.914 -0.096 0.000 2.535 227 V HA -0.064 4.056 4.120 -0.000 0.000 0.246 227 V C 2.213 178.270 176.094 -0.061 0.000 1.045 227 V CA 1.573 63.823 62.300 -0.083 0.000 1.058 227 V CB -0.449 31.312 31.823 -0.103 0.000 0.689 227 V HN 0.806 nan 8.190 nan 0.000 0.461 228 Q N 0.186 119.954 119.800 -0.054 0.000 2.197 228 Q HA -0.173 4.166 4.340 -0.000 0.000 0.207 228 Q C 2.176 178.174 176.000 -0.004 0.000 0.984 228 Q CA 2.111 57.897 55.803 -0.027 0.000 0.869 228 Q CB -0.427 28.293 28.738 -0.029 0.000 0.906 228 Q HN 0.680 nan 8.270 nan 0.000 0.426 229 A N -1.022 121.786 122.820 -0.019 0.000 2.030 229 A HA -0.022 4.298 4.320 -0.000 0.000 0.215 229 A C 2.066 179.661 177.584 0.017 0.000 1.164 229 A CA 1.154 53.195 52.037 0.006 0.000 0.697 229 A CB -0.250 18.732 19.000 -0.030 0.000 0.827 229 A HN 0.291 nan 8.150 nan 0.000 0.457 230 T N 1.029 115.564 114.554 -0.031 0.000 2.857 230 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 230 T C 2.047 176.681 174.700 -0.111 0.000 1.048 230 T CA 1.701 63.766 62.100 -0.058 0.000 1.139 230 T CB -0.348 68.481 68.868 -0.066 0.000 0.874 230 T HN 0.700 nan 8.240 nan 0.000 0.455 231 M N -0.392 119.125 119.600 -0.140 0.000 2.236 231 M HA 0.040 4.520 4.480 -0.000 0.000 0.266 231 M C 2.240 178.407 176.300 -0.222 0.000 1.070 231 M CA 1.554 56.659 55.300 -0.325 0.000 1.137 231 M CB -0.991 31.417 32.600 -0.319 0.000 1.378 231 M HN 0.136 nan 8.290 nan 0.000 0.426 232 Y N 2.261 122.478 120.300 -0.138 0.000 2.165 232 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 232 Y C 2.144 178.002 175.900 -0.071 0.000 1.155 232 Y CA 2.011 60.068 58.100 -0.072 0.000 1.164 232 Y CB -0.234 38.197 38.460 -0.048 0.000 0.978 232 Y HN 0.247 nan 8.280 nan 0.000 0.513 233 K N -0.672 119.701 120.400 -0.044 0.000 2.148 233 K HA -0.163 4.157 4.320 -0.000 0.000 0.204 233 K C 2.071 178.581 176.600 -0.150 0.000 1.050 233 K CA 1.714 57.947 56.287 -0.088 0.000 0.942 233 K CB -0.210 32.274 32.500 -0.026 0.000 0.724 233 K HN 0.403 nan 8.250 nan 0.000 0.446 234 M N 0.479 119.968 119.600 -0.185 0.000 2.099 234 M HA -0.137 4.343 4.480 -0.000 0.000 0.262 234 M C 2.487 178.746 176.300 -0.069 0.000 1.067 234 M CA 1.619 56.826 55.300 -0.156 0.000 1.124 234 M CB -0.385 32.017 32.600 -0.330 0.000 1.353 234 M HN 0.194 nan 8.290 nan 0.000 0.410 235 A N 0.343 123.120 122.820 -0.072 0.000 1.865 235 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 235 A C 1.983 179.471 177.584 -0.159 0.000 1.191 235 A CA 1.916 53.943 52.037 -0.017 0.000 0.623 235 A CB -0.859 18.113 19.000 -0.047 0.000 0.826 235 A HN 0.520 nan 8.150 nan 0.000 0.444 236 E N -0.463 119.557 120.200 -0.300 0.000 2.070 236 E HA -0.275 4.074 4.350 -0.000 0.000 0.197 236 E C 2.314 178.819 176.600 -0.158 0.000 1.004 236 E CA 1.692 57.932 56.400 -0.267 0.000 0.805 236 E CB -0.260 29.257 29.700 -0.306 0.000 0.744 236 E HN 0.761 nan 8.360 nan 0.000 0.451 237 Q N 0.039 119.758 119.800 -0.135 0.000 2.170 237 Q HA -0.144 4.196 4.340 -0.000 0.000 0.203 237 Q C 2.238 178.166 176.000 -0.120 0.000 0.976 237 Q CA 0.962 56.701 55.803 -0.107 0.000 0.858 237 Q CB -0.078 28.604 28.738 -0.093 0.000 0.907 237 Q HN 0.323 nan 8.270 nan 0.000 0.433 238 I N 0.360 120.851 120.570 -0.132 0.000 2.233 238 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 238 I C 2.082 178.092 176.117 -0.178 0.000 1.093 238 I CA 0.928 62.119 61.300 -0.182 0.000 1.380 238 I CB -0.082 37.793 38.000 -0.208 0.000 1.067 238 I HN 0.168 nan 8.210 nan 0.000 0.413 239 L N 0.248 121.384 121.223 -0.145 0.000 2.079 239 L HA -0.241 4.098 4.340 -0.000 0.000 0.210 239 L C 2.731 179.538 176.870 -0.106 0.000 1.081 239 L CA 1.365 56.129 54.840 -0.127 0.000 0.752 239 L CB -0.667 41.326 42.059 -0.109 0.000 0.896 239 L HN 0.277 nan 8.230 nan 0.000 0.433 240 A N -0.078 122.683 122.820 -0.099 0.000 1.898 240 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 240 A C 2.250 179.791 177.584 -0.071 0.000 1.181 240 A CA 1.059 53.051 52.037 -0.074 0.000 0.620 240 A CB -0.318 18.642 19.000 -0.068 0.000 0.819 240 A HN 0.328 nan 8.150 nan 0.000 0.442 241 R N -1.396 119.050 120.500 -0.091 0.000 2.299 241 R HA 0.052 4.392 4.340 -0.000 0.000 0.197 241 R C 0.010 176.264 176.300 -0.078 0.000 0.971 241 R CA 0.540 56.591 56.100 -0.082 0.000 1.030 241 R CB 0.082 30.322 30.300 -0.099 0.000 0.932 241 R HN 0.447 nan 8.270 nan 0.000 0.477 242 Q N 0.266 120.009 119.800 -0.095 0.000 2.406 242 Q HA 0.079 4.419 4.340 -0.000 0.000 0.244 242 Q C -0.240 175.715 176.000 -0.075 0.000 0.884 242 Q CA -0.177 55.577 55.803 -0.083 0.000 0.813 242 Q CB 1.735 30.379 28.738 -0.158 0.000 1.368 242 Q HN -0.172 nan 8.270 nan 0.000 0.439 243 Q N 2.704 122.491 119.800 -0.021 0.000 2.230 243 Q HA 0.060 4.400 4.340 -0.000 0.000 0.202 243 Q C 0.597 176.599 176.000 0.004 0.000 0.963 243 Q CA 1.178 56.975 55.803 -0.010 0.000 0.866 243 Q CB 0.245 28.991 28.738 0.012 0.000 0.931 243 Q HN 0.699 nan 8.270 nan 0.000 0.452 244 L N 0.039 121.293 121.223 0.052 0.000 2.478 244 L HA 0.052 4.392 4.340 -0.000 0.000 0.223 244 L C 0.105 177.003 176.870 0.046 0.000 1.140 244 L CA 0.484 55.403 54.840 0.131 0.000 0.842 244 L CB -0.411 41.856 42.059 0.347 0.000 0.953 244 L HN 0.178 nan 8.230 nan 0.000 0.452 245 I N -0.325 120.147 120.570 -0.163 0.000 2.474 245 I HA 0.033 4.203 4.170 -0.000 0.000 0.287 245 I C 1.509 177.550 176.117 -0.126 0.000 1.048 245 I CA 0.302 61.438 61.300 -0.272 0.000 1.383 245 I CB 0.845 38.641 38.000 -0.341 0.000 1.412 245 I HN 0.260 nan 8.210 nan 0.000 0.531 246 E N 2.579 122.722 120.200 -0.095 0.000 2.162 246 E HA 0.029 4.379 4.350 -0.000 0.000 0.193 246 E C 0.103 176.674 176.600 -0.048 0.000 0.953 246 E CA 0.643 57.011 56.400 -0.055 0.000 0.849 246 E CB 0.618 30.296 29.700 -0.036 0.000 0.810 246 E HN 0.789 nan 8.360 nan 0.000 0.470 247 T N -1.758 112.766 114.554 -0.049 0.000 2.900 247 T HA 0.564 4.914 4.350 -0.000 0.000 0.303 247 T C -0.677 174.012 174.700 -0.019 0.000 1.142 247 T CA -0.876 61.207 62.100 -0.028 0.000 1.007 247 T CB 2.134 70.996 68.868 -0.011 0.000 1.156 247 T HN -0.178 nan 8.240 nan 0.000 0.490 248 V N 1.614 121.527 119.914 -0.002 0.000 2.680 248 V HA 0.752 4.872 4.120 -0.000 0.000 0.309 248 V C -0.345 175.766 176.094 0.028 0.000 1.052 248 V CA -0.755 61.555 62.300 0.018 0.000 0.908 248 V CB 1.660 33.499 31.823 0.027 0.000 1.001 248 V HN 1.100 nan 8.190 nan 0.000 0.431 249 E N 2.391 122.575 120.200 -0.026 0.000 2.256 249 E HA 0.554 4.904 4.350 -0.000 0.000 0.268 249 E C -2.204 174.345 176.600 -0.087 0.000 0.877 249 E CA -0.546 55.853 56.400 -0.002 0.000 0.757 249 E CB 1.934 31.624 29.700 -0.018 0.000 1.183 249 E HN 0.618 nan 8.360 nan 0.000 0.418 250 Y N 1.537 121.855 120.300 0.029 0.000 2.446 250 Y HA 0.441 4.991 4.550 -0.000 0.000 0.345 250 Y C -0.274 175.633 175.900 0.013 0.000 0.984 250 Y CA -0.546 57.569 58.100 0.026 0.000 1.058 250 Y CB 2.559 41.033 38.460 0.023 0.000 1.220 250 Y HN 0.400 nan 8.280 nan 0.000 0.455 251 S N 4.791 120.588 115.700 0.162 0.000 2.779 251 S HA 0.602 5.072 4.470 -0.000 0.000 0.293 251 S C -1.706 172.942 174.600 0.080 0.000 1.150 251 S CA -0.609 57.643 58.200 0.087 0.000 1.057 251 S CB 0.051 63.272 63.200 0.035 0.000 1.021 251 S HN 0.580 nan 8.310 nan 0.000 0.485 252 L N 6.269 127.528 121.223 0.059 0.000 2.318 252 L HA 0.480 4.820 4.340 -0.000 0.000 0.277 252 L C -2.646 174.217 176.870 -0.011 0.000 1.008 252 L CA -2.005 52.851 54.840 0.027 0.000 0.846 252 L CB 1.831 43.902 42.059 0.020 0.000 1.220 252 L HN 0.420 nan 8.230 nan 0.000 0.423 253 P HA 0.208 nan 4.420 nan 0.000 0.270 253 P C -0.334 176.920 177.300 -0.077 0.000 1.551 253 P CA -0.520 62.556 63.100 -0.040 0.000 1.049 253 P CB 0.547 32.229 31.700 -0.030 0.000 1.397 254 N N 3.281 121.912 118.700 -0.115 0.000 2.283 254 N HA -0.037 4.703 4.740 -0.000 0.000 0.236 254 N C -0.111 175.211 175.510 -0.314 0.000 1.252 254 N CA 0.787 53.698 53.050 -0.232 0.000 0.856 254 N CB 0.532 38.811 38.487 -0.347 0.000 1.099 254 N HN 0.294 nan 8.380 nan 0.000 0.444 255 K N 2.211 122.414 120.400 -0.329 0.000 2.579 255 K HA 0.255 4.575 4.320 -0.000 0.000 0.250 255 K C -1.089 175.374 176.600 -0.229 0.000 0.952 255 K CA -0.635 55.502 56.287 -0.249 0.000 0.857 255 K CB 1.364 33.828 32.500 -0.060 0.000 1.123 255 K HN 0.471 nan 8.250 nan 0.000 0.433 256 H N 1.978 121.012 119.070 -0.059 0.000 2.582 256 H HA 0.133 4.688 4.556 -0.000 0.000 0.345 256 H C -0.721 174.488 175.328 -0.197 0.000 1.104 256 H CA 0.132 56.152 56.048 -0.047 0.000 1.390 256 H CB 0.671 30.357 29.762 -0.127 0.000 1.461 256 H HN 0.441 nan 8.280 nan 0.000 0.551 257 Y N 2.444 122.785 120.300 0.069 0.000 2.376 257 Y HA 0.147 4.697 4.550 -0.000 0.000 0.326 257 Y C -0.362 175.797 175.900 0.432 0.000 0.970 257 Y CA -0.701 57.459 58.100 0.100 0.000 1.248 257 Y CB 0.379 38.821 38.460 -0.030 0.000 1.117 257 Y HN 0.408 nan 8.280 nan 0.000 0.476 258 F N 1.547 121.692 119.950 0.326 0.000 2.399 258 F HA 0.226 4.753 4.527 -0.000 0.000 0.342 258 F C 0.914 176.922 175.800 0.346 0.000 1.106 258 F CA -1.455 56.723 58.000 0.297 0.000 1.196 258 F CB 0.677 39.771 39.000 0.156 0.000 1.163 258 F HN 0.430 nan 8.300 nan 0.000 0.547 259 E N 1.989 122.437 120.200 0.413 0.000 2.373 259 E HA 0.299 4.649 4.350 -0.000 0.000 0.267 259 E C -0.790 175.841 176.600 0.051 0.000 1.032 259 E CA -0.108 56.320 56.400 0.048 0.000 0.889 259 E CB 0.719 30.432 29.700 0.020 0.000 0.984 259 E HN 0.366 nan 8.360 nan 0.000 0.425 260 I N 3.034 123.576 120.570 -0.047 0.000 2.382 260 I HA 0.118 4.288 4.170 -0.000 0.000 0.285 260 I C -0.476 175.655 176.117 0.022 0.000 1.007 260 I CA -0.757 60.566 61.300 0.039 0.000 1.142 260 I CB 1.411 39.443 38.000 0.054 0.000 1.289 260 I HN 0.382 nan 8.210 nan 0.000 0.453 261 D N 7.218 127.670 120.400 0.087 0.000 2.336 261 D HA 0.197 4.837 4.640 -0.000 0.000 0.249 261 D C 0.438 176.839 176.300 0.169 0.000 1.213 261 D CA 0.166 54.227 54.000 0.102 0.000 0.870 261 D CB 1.062 41.942 40.800 0.133 0.000 1.076 261 D HN 0.472 nan 8.370 nan 0.000 0.483 262 L N 2.923 124.132 121.223 -0.024 0.000 2.640 262 L HA 0.010 4.350 4.340 -0.000 0.000 0.230 262 L C 2.265 178.833 176.870 -0.503 0.000 1.123 262 L CA -0.028 54.629 54.840 -0.306 0.000 0.900 262 L CB -0.115 41.787 42.059 -0.262 0.000 1.146 262 L HN 0.371 nan 8.230 nan 0.000 0.484 263 S N 1.061 116.649 115.700 -0.186 0.000 2.407 263 S HA -0.231 4.239 4.470 -0.000 0.000 0.235 263 S C 1.747 176.284 174.600 -0.106 0.000 1.036 263 S CA 1.262 59.397 58.200 -0.107 0.000 1.013 263 S CB -0.676 62.529 63.200 0.009 0.000 0.820 263 S HN 0.717 nan 8.310 nan 0.000 0.476 264 W N 1.457 122.787 121.300 0.050 0.000 2.632 264 W HA 0.141 4.801 4.660 -0.000 0.000 0.248 264 W C 0.647 177.217 176.519 0.085 0.000 1.259 264 W CA 0.443 57.819 57.345 0.053 0.000 1.288 264 W CB -1.257 28.233 29.460 0.050 0.000 1.136 264 W HN 0.535 nan 8.180 nan 0.000 0.640 265 H N 1.423 120.067 119.070 -0.710 0.000 2.725 265 H HA 0.263 4.818 4.556 -0.000 0.000 0.283 265 H C 0.473 175.608 175.328 -0.322 0.000 1.110 265 H CA -0.750 54.939 56.048 -0.598 0.000 1.289 265 H CB 0.061 29.193 29.762 -1.050 0.000 1.400 265 H HN -0.012 nan 8.280 nan 0.000 0.493 266 K N 3.514 123.671 120.400 -0.405 0.000 3.016 266 K HA -0.203 4.117 4.320 -0.000 0.000 0.262 266 K C 0.783 177.287 176.600 -0.160 0.000 1.043 266 K CA 0.691 56.809 56.287 -0.282 0.000 0.761 266 K CB -1.593 30.701 32.500 -0.344 0.000 1.230 266 K HN 1.087 nan 8.250 nan 0.000 0.485 267 G N 0.396 109.118 108.800 -0.130 0.000 2.390 267 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.299 267 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.299 267 G C 0.010 174.858 174.900 -0.088 0.000 1.002 267 G CA 0.143 45.191 45.100 -0.085 0.000 0.979 267 G HN 0.206 nan 8.290 nan 0.000 0.513 268 L N 0.276 121.427 121.223 -0.120 0.000 2.455 268 L HA 0.257 4.597 4.340 -0.000 0.000 0.272 268 L C 0.649 177.468 176.870 -0.085 0.000 1.174 268 L CA 0.188 54.969 54.840 -0.098 0.000 0.869 268 L CB 0.889 42.876 42.059 -0.120 0.000 1.130 268 L HN 0.329 nan 8.230 nan 0.000 0.474 269 Q N 3.928 123.693 119.800 -0.058 0.000 2.360 269 Q HA 0.227 4.567 4.340 -0.000 0.000 0.254 269 Q C -0.162 175.809 176.000 -0.049 0.000 0.975 269 Q CA 0.053 55.829 55.803 -0.045 0.000 0.912 269 Q CB 0.813 29.534 28.738 -0.028 0.000 1.212 269 Q HN 0.503 nan 8.270 nan 0.000 0.452 270 N N 1.123 119.787 118.700 -0.060 0.000 2.471 270 N HA 0.024 4.764 4.740 -0.000 0.000 0.270 270 N C -1.395 174.048 175.510 -0.111 0.000 1.490 270 N CA 0.039 53.037 53.050 -0.088 0.000 0.850 270 N CB 0.822 39.247 38.487 -0.104 0.000 1.411 270 N HN 0.477 nan 8.380 nan 0.000 0.488 271 T N -3.744 110.774 114.554 -0.060 0.000 2.916 271 T HA 0.769 5.119 4.350 -0.000 0.000 0.292 271 T C 1.025 175.728 174.700 0.004 0.000 1.055 271 T CA -0.130 61.947 62.100 -0.038 0.000 1.009 271 T CB 1.636 70.499 68.868 -0.008 0.000 1.118 271 T HN 0.239 nan 8.240 nan 0.000 0.497 272 G N 2.033 110.858 108.800 0.042 0.000 2.672 272 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.324 272 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.324 272 G C 0.807 175.757 174.900 0.082 0.000 1.286 272 G CA 0.881 46.031 45.100 0.083 0.000 1.004 272 G HN 0.981 nan 8.290 nan 0.000 0.548 273 K N 0.725 121.167 120.400 0.069 0.000 2.442 273 K HA -0.053 4.267 4.320 -0.000 0.000 0.199 273 K C 1.895 178.527 176.600 0.053 0.000 1.044 273 K CA 1.583 57.909 56.287 0.065 0.000 0.941 273 K CB -0.195 32.332 32.500 0.045 0.000 0.759 273 K HN 0.435 nan 8.250 nan 0.000 0.472 274 N N -0.460 118.259 118.700 0.032 0.000 2.230 274 N HA 0.120 4.859 4.740 -0.000 0.000 0.202 274 N C -0.919 174.586 175.510 -0.008 0.000 1.119 274 N CA -0.141 52.916 53.050 0.013 0.000 0.851 274 N CB 0.974 39.459 38.487 -0.004 0.000 0.990 274 N HN 0.061 nan 8.380 nan 0.000 0.497 275 A N 0.534 123.349 122.820 -0.009 0.000 2.451 275 A HA 0.166 4.486 4.320 -0.000 0.000 0.266 275 A C 0.728 178.320 177.584 0.013 0.000 1.119 275 A CA 0.243 52.197 52.037 -0.138 0.000 0.786 275 A CB 0.318 19.185 19.000 -0.222 0.000 1.061 275 A HN 0.326 nan 8.150 nan 0.000 0.503 276 E N 1.423 121.597 120.200 -0.042 0.000 2.441 276 E HA 0.153 4.503 4.350 -0.000 0.000 0.207 276 E C -0.691 176.046 176.600 0.228 0.000 0.803 276 E CA 0.215 56.700 56.400 0.143 0.000 1.240 276 E CB 0.925 30.668 29.700 0.071 0.000 1.233 276 E HN 0.493 nan 8.360 nan 0.000 0.590 277 V N 2.446 122.387 119.914 0.045 0.000 2.384 277 V HA 0.378 4.497 4.120 -0.000 0.000 0.287 277 V C -0.859 175.274 176.094 0.065 0.000 1.020 277 V CA -0.416 61.968 62.300 0.140 0.000 0.850 277 V CB 0.700 32.558 31.823 0.059 0.000 0.987 277 V HN 0.044 nan 8.190 nan 0.000 0.436 278 F N 1.892 121.925 119.950 0.140 0.000 2.618 278 F HA 0.838 5.365 4.527 -0.000 0.000 0.332 278 F C 0.398 176.294 175.800 0.159 0.000 1.061 278 F CA -1.121 56.989 58.000 0.184 0.000 0.974 278 F CB 1.794 40.949 39.000 0.259 0.000 1.310 278 F HN 0.461 nan 8.300 nan 0.000 0.491 279 A N 2.092 125.128 122.820 0.360 0.000 2.277 279 A HA 0.699 5.019 4.320 -0.000 0.000 0.318 279 A C -2.803 174.766 177.584 -0.023 0.000 1.339 279 A CA -1.753 50.380 52.037 0.159 0.000 0.875 279 A CB 0.020 19.108 19.000 0.146 0.000 1.158 279 A HN 0.342 nan 8.150 nan 0.000 0.514 280 P HA 0.132 nan 4.420 nan 0.000 0.267 280 P C -0.570 176.458 177.300 -0.454 0.000 1.205 280 P CA 0.268 62.971 63.100 -0.663 0.000 0.765 280 P CB 0.608 31.975 31.700 -0.554 0.000 0.828 281 Q N 1.671 121.147 119.800 -0.540 0.000 2.241 281 Q HA 0.253 4.593 4.340 -0.000 0.000 0.254 281 Q C 0.926 176.760 176.000 -0.277 0.000 0.917 281 Q CA -0.126 55.431 55.803 -0.409 0.000 0.919 281 Q CB 1.489 29.872 28.738 -0.592 0.000 1.237 281 Q HN 0.344 nan 8.270 nan 0.000 0.434 282 S N 1.501 117.093 115.700 -0.179 0.000 2.388 282 S HA -0.060 4.410 4.470 -0.000 0.000 0.223 282 S C 0.088 174.637 174.600 -0.085 0.000 1.034 282 S CA 1.197 59.325 58.200 -0.120 0.000 0.963 282 S CB 0.206 63.356 63.200 -0.083 0.000 0.827 282 S HN 0.790 nan 8.310 nan 0.000 0.481 283 D N -0.790 119.568 120.400 -0.070 0.000 2.622 283 D HA 0.495 5.134 4.640 -0.000 0.000 0.255 283 D C -3.170 173.118 176.300 -0.021 0.000 1.246 283 D CA -1.523 52.460 54.000 -0.029 0.000 0.795 283 D CB 0.185 40.974 40.800 -0.019 0.000 1.369 283 D HN -0.118 nan 8.370 nan 0.000 0.425 284 P HA 0.298 nan 4.420 nan 0.000 0.275 284 P C -0.974 176.387 177.300 0.101 0.000 1.266 284 P CA -0.686 62.436 63.100 0.037 0.000 0.793 284 P CB 0.318 32.039 31.700 0.036 0.000 1.074 285 N N -1.688 117.075 118.700 0.105 0.000 2.235 285 N HA 0.371 5.110 4.740 -0.000 0.000 0.293 285 N C -0.329 175.274 175.510 0.156 0.000 1.083 285 N CA -0.784 52.363 53.050 0.162 0.000 0.801 285 N CB 1.796 40.291 38.487 0.014 0.000 1.559 285 N HN 0.461 nan 8.380 nan 0.000 0.472 286 G N 0.174 109.137 108.800 0.270 0.000 2.527 286 G HA2 0.412 4.372 3.960 -0.000 0.000 0.248 286 G HA3 0.412 4.372 3.960 -0.000 0.000 0.248 286 G C -0.815 174.096 174.900 0.018 0.000 1.231 286 G CA -0.303 44.867 45.100 0.116 0.000 0.838 286 G HN 0.496 nan 8.290 nan 0.000 0.570 287 L N 1.728 122.952 121.223 0.002 0.000 2.457 287 L HA 0.572 4.912 4.340 -0.000 0.000 0.266 287 L C -1.053 175.811 176.870 -0.010 0.000 0.979 287 L CA -0.729 54.106 54.840 -0.007 0.000 0.857 287 L CB 1.500 43.558 42.059 -0.001 0.000 1.213 287 L HN 0.367 nan 8.230 nan 0.000 0.418 288 I N 4.700 125.262 120.570 -0.012 0.000 2.354 288 I HA 0.495 4.665 4.170 -0.000 0.000 0.292 288 I C -0.009 176.121 176.117 0.022 0.000 0.989 288 I CA -0.142 61.154 61.300 -0.005 0.000 1.188 288 I CB 1.333 39.319 38.000 -0.024 0.000 1.342 288 I HN 0.464 nan 8.210 nan 0.000 0.457 289 K N 4.371 124.788 120.400 0.028 0.000 2.340 289 K HA 0.858 5.178 4.320 -0.000 0.000 0.244 289 K C -1.485 175.153 176.600 0.064 0.000 0.973 289 K CA -0.786 55.531 56.287 0.050 0.000 0.828 289 K CB 2.501 35.022 32.500 0.034 0.000 1.226 289 K HN 0.595 nan 8.250 nan 0.000 0.437 290 C N 0.866 120.221 119.300 0.092 0.000 3.113 290 C HA 0.395 4.855 4.460 -0.000 0.000 0.376 290 C C -1.384 173.674 174.990 0.115 0.000 1.077 290 C CA -0.246 58.837 59.018 0.108 0.000 1.253 290 C CB 1.506 29.332 27.740 0.143 0.000 1.637 290 C HN 0.830 nan 8.230 nan 0.000 0.535 291 T N 4.613 119.223 114.554 0.093 0.000 2.892 291 T HA 0.444 4.794 4.350 -0.000 0.000 0.311 291 T C -0.517 174.235 174.700 0.086 0.000 1.033 291 T CA -0.301 61.845 62.100 0.076 0.000 0.991 291 T CB 0.990 69.885 68.868 0.045 0.000 0.981 291 T HN 0.554 nan 8.240 nan 0.000 0.457 292 V N 3.303 123.267 119.914 0.084 0.000 2.383 292 V HA 0.725 4.845 4.120 -0.000 0.000 0.275 292 V C 0.920 177.028 176.094 0.024 0.000 1.036 292 V CA -0.454 61.886 62.300 0.066 0.000 0.889 292 V CB 1.174 32.987 31.823 -0.016 0.000 0.985 292 V HN 0.949 nan 8.190 nan 0.000 0.459 293 G N 4.413 113.233 108.800 0.032 0.000 2.705 293 G HA2 0.641 4.601 3.960 -0.000 0.000 0.299 293 G HA3 0.641 4.601 3.960 -0.000 0.000 0.299 293 G C -0.542 174.362 174.900 0.007 0.000 1.315 293 G CA -1.052 44.055 45.100 0.011 0.000 1.045 293 G HN 0.605 nan 8.290 nan 0.000 0.517 294 R N -0.130 120.369 120.500 -0.002 0.000 2.500 294 R HA 0.454 4.794 4.340 -0.000 0.000 0.275 294 R C 0.616 176.923 176.300 0.011 0.000 1.051 294 R CA -0.388 55.711 56.100 -0.002 0.000 1.088 294 R CB 1.099 31.391 30.300 -0.012 0.000 1.063 294 R HN 0.540 nan 8.270 nan 0.000 0.511 295 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 0.020 0.000 1.107 295 S CB 0.000 63.212 63.200 0.020 0.000 0.593 295 S HN 0.000 nan 8.310 nan 0.000 0.517