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 2fkp_1_C DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LCTLLGGHKE QVEVGVSLGI QADEQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRATRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTYIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSCLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.500 176.300 0.334 0.000 0.893 6 R CA 0.000 56.232 56.100 0.220 0.000 0.921 6 R CB 0.000 30.376 30.300 0.126 0.000 0.687 7 M N 0.974 120.701 119.600 0.212 0.000 2.163 7 M HA 0.443 4.923 4.480 0.000 0.000 0.305 7 M C -0.554 175.914 176.300 0.280 0.000 1.166 7 M CA -0.122 55.283 55.300 0.174 0.000 1.132 7 M CB 0.395 32.980 32.600 -0.025 0.000 1.413 7 M HN 0.555 nan 8.290 nan 0.000 0.478 8 F N -0.680 119.350 119.950 0.135 0.000 2.540 8 F HA 0.656 5.183 4.527 0.000 0.000 0.317 8 F C -0.802 175.077 175.800 0.132 0.000 1.104 8 F CA -1.197 56.896 58.000 0.154 0.000 0.913 8 F CB 0.956 40.089 39.000 0.221 0.000 1.170 8 F HN 0.383 nan 8.300 nan 0.000 0.450 9 K N 4.986 125.500 120.400 0.191 0.000 2.211 9 K HA 0.528 4.848 4.320 0.000 0.000 0.275 9 K C -0.913 175.825 176.600 0.229 0.000 1.024 9 K CA -0.585 55.765 56.287 0.105 0.000 0.887 9 K CB 0.935 33.466 32.500 0.052 0.000 1.084 9 K HN 0.877 nan 8.250 nan 0.000 0.463 10 I N 5.074 125.795 120.570 0.250 0.000 2.308 10 I HA 0.031 4.201 4.170 0.000 0.000 0.293 10 I C 0.618 176.847 176.117 0.186 0.000 1.078 10 I CA -0.031 61.430 61.300 0.268 0.000 1.292 10 I CB 1.071 39.256 38.000 0.308 0.000 1.423 10 I HN 0.799 nan 8.210 nan 0.000 0.493 11 E N 4.381 124.688 120.200 0.177 0.000 2.140 11 E HA 0.228 4.578 4.350 0.000 0.000 0.191 11 E C 0.432 177.114 176.600 0.135 0.000 0.973 11 E CA 0.342 56.821 56.400 0.133 0.000 0.829 11 E CB 0.416 30.185 29.700 0.115 0.000 0.781 11 E HN 0.765 nan 8.360 nan 0.000 0.466 12 A N 0.134 123.067 122.820 0.188 0.000 2.606 12 A HA 0.819 5.139 4.320 0.000 0.000 0.293 12 A C -1.649 176.095 177.584 0.267 0.000 1.082 12 A CA -0.316 51.836 52.037 0.192 0.000 0.685 12 A CB 1.755 20.820 19.000 0.109 0.000 1.284 12 A HN 0.074 nan 8.150 nan 0.000 0.408 13 A N 0.785 123.754 122.820 0.248 0.000 2.427 13 A HA 0.721 5.041 4.320 0.000 0.000 0.298 13 A C -0.946 176.782 177.584 0.240 0.000 1.036 13 A CA -0.403 51.773 52.037 0.232 0.000 0.701 13 A CB 0.993 20.092 19.000 0.166 0.000 1.250 13 A HN 0.730 nan 8.150 nan 0.000 0.412 14 E N 1.696 122.021 120.200 0.209 0.000 2.179 14 E HA 0.546 4.896 4.350 0.000 0.000 0.275 14 E C -1.100 175.576 176.600 0.126 0.000 0.945 14 E CA -0.446 56.052 56.400 0.163 0.000 0.792 14 E CB 2.251 32.043 29.700 0.153 0.000 1.125 14 E HN 0.590 nan 8.360 nan 0.000 0.397 15 I N 2.845 123.492 120.570 0.128 0.000 2.339 15 I HA 0.267 4.437 4.170 0.000 0.000 0.290 15 I C -0.787 175.358 176.117 0.047 0.000 0.994 15 I CA -0.894 60.456 61.300 0.083 0.000 1.191 15 I CB 1.351 39.409 38.000 0.096 0.000 1.343 15 I HN 0.181 nan 8.210 nan 0.000 0.458 16 V N 7.264 127.192 119.914 0.024 0.000 2.483 16 V HA 0.364 4.484 4.120 0.000 0.000 0.297 16 V C -0.210 175.875 176.094 -0.015 0.000 1.027 16 V CA -0.696 61.605 62.300 0.002 0.000 0.855 16 V CB 2.080 33.902 31.823 -0.002 0.000 0.995 16 V HN 0.374 nan 8.190 nan 0.000 0.424 17 V N 4.245 124.145 119.914 -0.024 0.000 2.347 17 V HA 0.789 4.909 4.120 0.000 0.000 0.280 17 V C 0.479 176.541 176.094 -0.053 0.000 1.021 17 V CA -0.391 61.889 62.300 -0.033 0.000 0.847 17 V CB 1.468 33.276 31.823 -0.026 0.000 0.990 17 V HN 0.979 nan 8.190 nan 0.000 0.444 18 A N 4.854 127.634 122.820 -0.066 0.000 2.312 18 A HA 0.898 5.218 4.320 0.000 0.000 0.328 18 A C -0.162 177.378 177.584 -0.073 0.000 1.158 18 A CA -0.780 51.202 52.037 -0.092 0.000 0.821 18 A CB 1.079 20.003 19.000 -0.126 0.000 1.170 18 A HN 0.813 nan 8.150 nan 0.000 0.490 19 R N 1.723 122.182 120.500 -0.069 0.000 2.320 19 R HA 0.544 4.884 4.340 0.000 0.000 0.319 19 R C -1.855 174.482 176.300 0.061 0.000 0.969 19 R CA -0.282 55.809 56.100 -0.014 0.000 0.857 19 R CB 0.499 30.755 30.300 -0.073 0.000 1.160 19 R HN 0.530 nan 8.270 nan 0.000 0.491 20 L N 7.297 128.569 121.223 0.081 0.000 2.280 20 L HA 0.595 4.935 4.340 0.000 0.000 0.287 20 L C -2.264 174.744 176.870 0.230 0.000 1.023 20 L CA -2.284 52.594 54.840 0.062 0.000 0.819 20 L CB 1.502 43.397 42.059 -0.272 0.000 1.212 20 L HN 0.615 nan 8.230 nan 0.000 0.420 21 P HA 0.081 nan 4.420 nan 0.000 0.271 21 P C -0.556 176.854 177.300 0.184 0.000 1.220 21 P CA -0.187 62.849 63.100 -0.107 0.000 0.768 21 P CB 0.662 32.290 31.700 -0.121 0.000 0.848 22 L N 3.063 124.356 121.223 0.116 0.000 2.416 22 L HA 0.158 4.498 4.340 0.000 0.000 0.272 22 L C 1.590 178.501 176.870 0.068 0.000 1.161 22 L CA -0.070 54.870 54.840 0.167 0.000 0.845 22 L CB -0.008 42.091 42.059 0.067 0.000 1.119 22 L HN 0.435 nan 8.230 nan 0.000 0.464 35 H N 1.104 120.239 119.070 0.108 0.000 2.928 35 H HA 0.787 5.343 4.556 0.000 0.000 0.371 35 H C -1.202 174.211 175.328 0.141 0.000 1.186 35 H CA -0.765 55.361 56.048 0.131 0.000 1.134 35 H CB 2.724 32.535 29.762 0.082 0.000 1.824 35 H HN 0.498 nan 8.280 nan 0.000 0.554 36 K N 1.016 121.592 120.400 0.293 0.000 2.378 36 K HA 0.420 4.740 4.320 0.000 0.000 0.252 36 K C -1.501 175.174 176.600 0.124 0.000 0.931 36 K CA -0.618 55.803 56.287 0.224 0.000 0.794 36 K CB 1.695 34.410 32.500 0.358 0.000 1.181 36 K HN 0.264 nan 8.250 nan 0.000 0.425 37 V N 4.187 124.148 119.914 0.077 0.000 2.461 37 V HA 0.286 4.406 4.120 0.000 0.000 0.275 37 V C -0.527 175.567 176.094 -0.001 0.000 1.047 37 V CA -0.785 61.529 62.300 0.024 0.000 0.955 37 V CB 1.237 33.070 31.823 0.016 0.000 0.988 37 V HN 0.588 nan 8.190 nan 0.000 0.471 38 V N 7.797 127.688 119.914 -0.038 0.000 2.275 38 V HA 0.325 4.445 4.120 0.000 0.000 0.272 38 V C -2.430 173.637 176.094 -0.045 0.000 1.028 38 V CA -1.778 60.489 62.300 -0.056 0.000 0.810 38 V CB 1.360 33.114 31.823 -0.116 0.000 1.043 38 V HN 0.759 nan 8.190 nan 0.000 0.453 39 P HA 0.423 nan 4.420 nan 0.000 0.287 39 P C -0.760 176.527 177.300 -0.022 0.000 1.281 39 P CA -0.098 62.988 63.100 -0.022 0.000 0.781 39 P CB 0.859 32.550 31.700 -0.015 0.000 0.903 40 L N 3.630 124.843 121.223 -0.016 0.000 2.346 40 L HA 0.558 4.898 4.340 0.000 0.000 0.276 40 L C -0.313 176.560 176.870 0.005 0.000 1.006 40 L CA -1.122 53.712 54.840 -0.010 0.000 0.817 40 L CB 1.871 43.923 42.059 -0.011 0.000 1.272 40 L HN 0.209 nan 8.230 nan 0.000 0.421 41 L N 4.311 125.537 121.223 0.005 0.000 2.313 41 L HA 0.607 4.947 4.340 0.000 0.000 0.283 41 L C -0.809 176.065 176.870 0.006 0.000 1.013 41 L CA 0.019 54.869 54.840 0.017 0.000 0.816 41 L CB 1.439 43.508 42.059 0.017 0.000 1.236 41 L HN 0.366 nan 8.230 nan 0.000 0.419 42 I N 6.111 126.683 120.570 0.004 0.000 2.389 42 I HA 0.393 4.563 4.170 0.000 0.000 0.288 42 I C -0.804 175.250 176.117 -0.104 0.000 0.999 42 I CA -0.499 60.757 61.300 -0.073 0.000 1.129 42 I CB 1.540 39.492 38.000 -0.079 0.000 1.288 42 I HN 0.426 nan 8.210 nan 0.000 0.444 43 L N 5.819 126.954 121.223 -0.148 0.000 2.329 43 L HA 0.530 4.870 4.340 0.000 0.000 0.279 43 L C -0.488 176.263 176.870 -0.198 0.000 1.014 43 L CA -0.715 54.081 54.840 -0.073 0.000 0.814 43 L CB 1.304 43.373 42.059 0.017 0.000 1.257 43 L HN 0.517 nan 8.230 nan 0.000 0.424 44 H N 1.823 120.947 119.070 0.091 0.000 2.489 44 H HA 0.725 5.281 4.556 0.000 0.000 0.343 44 H C -0.214 175.180 175.328 0.110 0.000 1.086 44 H CA -0.524 55.574 56.048 0.083 0.000 1.198 44 H CB 2.326 32.130 29.762 0.069 0.000 1.490 44 H HN 0.777 nan 8.280 nan 0.000 0.504 45 G N 1.325 110.252 108.800 0.213 0.000 2.596 45 G HA2 0.200 4.160 3.960 0.000 0.000 0.296 45 G HA3 0.200 4.160 3.960 0.000 0.000 0.296 45 G C -0.842 174.155 174.900 0.162 0.000 1.513 45 G CA -0.833 44.389 45.100 0.203 0.000 0.851 45 G HN 0.443 nan 8.290 nan 0.000 0.548 46 E N -0.494 119.794 120.200 0.147 0.000 2.476 46 E HA -0.257 4.093 4.350 0.000 0.000 0.251 46 E C 1.493 178.144 176.600 0.085 0.000 1.130 46 E CA 1.983 58.454 56.400 0.118 0.000 0.736 46 E CB -1.568 28.218 29.700 0.143 0.000 1.298 46 E HN 2.569 nan 8.360 nan 0.000 0.400 47 G N -1.812 107.040 108.800 0.086 0.000 2.175 47 G HA2 -0.361 3.599 3.960 0.000 0.000 0.265 47 G HA3 -0.361 3.599 3.960 0.000 0.000 0.265 47 G C 0.543 175.482 174.900 0.065 0.000 0.979 47 G CA 1.329 46.471 45.100 0.070 0.000 0.663 47 G HN 1.039 nan 8.290 nan 0.000 0.533 48 V N -3.284 116.670 119.914 0.067 0.000 3.181 48 V HA 0.974 5.094 4.120 0.000 0.000 0.314 48 V C -0.283 175.836 176.094 0.041 0.000 1.173 48 V CA -0.245 62.078 62.300 0.039 0.000 1.052 48 V CB 1.815 33.634 31.823 -0.006 0.000 1.123 48 V HN 1.040 nan 8.190 nan 0.000 0.454 49 Q N 0.400 120.190 119.800 -0.016 0.000 2.421 49 Q HA 0.785 5.125 4.340 0.000 0.000 0.280 49 Q C -0.627 175.318 176.000 -0.091 0.000 1.085 49 Q CA -0.618 55.121 55.803 -0.106 0.000 0.807 49 Q CB 2.298 30.912 28.738 -0.207 0.000 1.405 49 Q HN 1.263 nan 8.270 nan 0.000 0.419 50 G N 0.815 109.556 108.800 -0.099 0.000 2.461 50 G HA2 0.579 4.539 3.960 0.000 0.000 0.323 50 G HA3 0.579 4.539 3.960 0.000 0.000 0.323 50 G C -1.158 173.731 174.900 -0.017 0.000 1.229 50 G CA -0.642 44.438 45.100 -0.033 0.000 0.941 50 G HN 0.410 nan 8.290 nan 0.000 0.477 51 V N 0.857 120.803 119.914 0.052 0.000 2.588 51 V HA 0.828 4.948 4.120 0.000 0.000 0.304 51 V C 0.232 176.429 176.094 0.172 0.000 1.042 51 V CA -0.636 61.704 62.300 0.066 0.000 0.877 51 V CB 1.158 33.008 31.823 0.045 0.000 0.996 51 V HN 1.180 nan 8.190 nan 0.000 0.425 52 A N 3.417 126.273 122.820 0.060 0.000 2.479 52 A HA 0.910 5.230 4.320 0.000 0.000 0.296 52 A C -0.813 176.739 177.584 -0.053 0.000 1.121 52 A CA -0.679 51.325 52.037 -0.054 0.000 0.743 52 A CB 1.892 20.788 19.000 -0.173 0.000 1.323 52 A HN 0.857 nan 8.150 nan 0.000 0.415 53 E N 0.788 120.929 120.200 -0.097 0.000 2.199 53 E HA 0.523 4.873 4.350 0.000 0.000 0.265 53 E C 0.161 176.719 176.600 -0.069 0.000 0.882 53 E CA -0.654 55.711 56.400 -0.058 0.000 0.759 53 E CB 1.451 31.131 29.700 -0.033 0.000 1.148 53 E HN 0.928 nan 8.360 nan 0.000 0.412 54 G N 1.765 110.539 108.800 -0.044 0.000 2.442 54 G HA2 0.158 4.118 3.960 0.000 0.000 0.249 54 G HA3 0.158 4.118 3.960 0.000 0.000 0.249 54 G C 0.630 175.511 174.900 -0.031 0.000 1.263 54 G CA 0.116 45.196 45.100 -0.034 0.000 0.846 54 G HN 0.620 nan 8.290 nan 0.000 0.555 55 T N 0.274 114.810 114.554 -0.030 0.000 3.085 55 T HA 0.233 4.583 4.350 0.000 0.000 0.264 55 T C 1.050 175.743 174.700 -0.011 0.000 1.019 55 T CA -0.442 61.638 62.100 -0.033 0.000 0.910 55 T CB -0.077 68.757 68.868 -0.058 0.000 1.059 55 T HN 0.536 nan 8.240 nan 0.000 0.542 56 M N 1.251 120.853 119.600 0.004 0.000 2.228 56 M HA 0.569 5.049 4.480 0.000 0.000 0.326 56 M C -0.686 175.621 176.300 0.012 0.000 1.122 56 M CA -0.069 55.242 55.300 0.018 0.000 1.161 56 M CB 0.366 32.973 32.600 0.013 0.000 1.437 56 M HN 0.085 nan 8.290 nan 0.000 0.465 57 E N 1.056 121.266 120.200 0.017 0.000 2.243 57 E HA 0.645 4.995 4.350 0.000 0.000 0.260 57 E C 0.789 177.393 176.600 0.006 0.000 0.985 57 E CA -0.554 55.856 56.400 0.016 0.000 0.858 57 E CB 1.228 30.943 29.700 0.026 0.000 1.210 57 E HN 0.761 nan 8.360 nan 0.000 0.411 58 A N 1.352 124.177 122.820 0.008 0.000 1.972 58 A HA -0.115 4.205 4.320 0.000 0.000 0.219 58 A C 0.775 178.356 177.584 -0.005 0.000 1.169 58 A CA 1.313 53.350 52.037 0.001 0.000 0.635 58 A CB -0.143 18.859 19.000 0.004 0.000 0.810 58 A HN 0.419 nan 8.150 nan 0.000 0.446 59 R N -0.802 119.696 120.500 -0.003 0.000 2.740 59 R HA 0.392 4.732 4.340 0.000 0.000 0.282 59 R C -2.947 173.339 176.300 -0.023 0.000 0.969 59 R CA -2.243 53.850 56.100 -0.012 0.000 0.918 59 R CB 1.451 31.747 30.300 -0.008 0.000 1.175 59 R HN 0.007 nan 8.270 nan 0.000 0.464 60 P HA 0.118 nan 4.420 nan 0.000 0.252 60 P C -0.425 176.806 177.300 -0.115 0.000 1.727 60 P CA 0.247 63.294 63.100 -0.089 0.000 1.134 60 P CB 0.452 32.088 31.700 -0.106 0.000 1.876 61 M N 1.109 120.663 119.600 -0.076 0.000 2.925 61 M HA 0.056 4.536 4.480 0.000 0.000 0.249 61 M C 1.866 178.122 176.300 -0.073 0.000 1.439 61 M CA 0.676 55.939 55.300 -0.061 0.000 1.217 61 M CB -0.132 32.468 32.600 -0.000 0.000 1.245 61 M HN 0.092 nan 8.290 nan 0.000 0.552 62 Y N 0.838 121.058 120.300 -0.133 0.000 2.243 62 Y HA 0.161 4.711 4.550 0.000 0.000 0.293 62 Y C 1.419 177.163 175.900 -0.259 0.000 1.124 62 Y CA 1.134 59.152 58.100 -0.137 0.000 1.159 62 Y CB 0.523 38.941 38.460 -0.071 0.000 1.008 62 Y HN -0.036 nan 8.280 nan 0.000 0.527 63 R N -0.818 119.411 120.500 -0.451 0.000 3.278 63 R HA 0.092 4.432 4.340 0.000 0.000 0.256 63 R C 0.957 176.988 176.300 -0.449 0.000 1.230 63 R CA 0.154 55.837 56.100 -0.694 0.000 1.006 63 R CB 0.569 30.543 30.300 -0.544 0.000 1.440 63 R HN 0.132 nan 8.270 nan 0.000 0.449 64 E N 0.896 120.874 120.200 -0.370 0.000 2.385 64 E HA 0.033 4.383 4.350 0.000 0.000 0.194 64 E C -0.639 175.905 176.600 -0.094 0.000 1.013 64 E CA 0.761 57.029 56.400 -0.219 0.000 0.866 64 E CB 0.323 29.952 29.700 -0.118 0.000 0.832 64 E HN 0.448 nan 8.360 nan 0.000 0.500 65 E N 1.189 121.355 120.200 -0.057 0.000 2.349 65 E HA 0.297 4.647 4.350 0.000 0.000 0.262 65 E C -0.176 176.409 176.600 -0.023 0.000 1.088 65 E CA 0.012 56.398 56.400 -0.023 0.000 0.899 65 E CB 1.127 30.829 29.700 0.003 0.000 1.044 65 E HN 0.264 nan 8.360 nan 0.000 0.420 66 T N -2.192 112.349 114.554 -0.021 0.000 2.906 66 T HA 0.381 4.731 4.350 0.000 0.000 0.295 66 T C 0.944 175.633 174.700 -0.018 0.000 1.075 66 T CA -0.776 61.313 62.100 -0.019 0.000 1.005 66 T CB 0.718 69.573 68.868 -0.023 0.000 1.136 66 T HN 0.387 nan 8.240 nan 0.000 0.498 67 I N 1.094 121.655 120.570 -0.015 0.000 2.208 67 I HA -0.118 4.052 4.170 0.000 0.000 0.245 67 I C 2.978 179.080 176.117 -0.025 0.000 1.097 67 I CA 1.780 63.070 61.300 -0.017 0.000 1.363 67 I CB -0.622 37.371 38.000 -0.012 0.000 1.051 67 I HN 0.903 nan 8.210 nan 0.000 0.413 68 A N 0.833 123.637 122.820 -0.026 0.000 1.902 68 A HA -0.124 4.196 4.320 0.000 0.000 0.217 68 A C 2.441 179.998 177.584 -0.045 0.000 1.181 68 A CA 1.902 53.920 52.037 -0.031 0.000 0.623 68 A CB -1.451 17.533 19.000 -0.027 0.000 0.818 68 A HN 0.457 nan 8.150 nan 0.000 0.443 69 G N -0.471 108.301 108.800 -0.046 0.000 2.459 69 G HA2 -0.023 3.937 3.960 0.000 0.000 0.217 69 G HA3 -0.023 3.937 3.960 0.000 0.000 0.217 69 G C 1.789 176.636 174.900 -0.088 0.000 1.183 69 G CA 1.635 46.698 45.100 -0.063 0.000 0.776 69 G HN 0.821 nan 8.290 nan 0.000 0.552 70 A N 0.454 123.234 122.820 -0.067 0.000 1.902 70 A HA 0.105 4.425 4.320 0.000 0.000 0.217 70 A C 2.460 179.988 177.584 -0.094 0.000 1.181 70 A CA 1.323 53.317 52.037 -0.072 0.000 0.623 70 A CB -0.398 18.586 19.000 -0.027 0.000 0.818 70 A HN 0.352 nan 8.150 nan 0.000 0.443 71 L N -0.740 120.442 121.223 -0.069 0.000 2.093 71 L HA -0.172 4.168 4.340 0.000 0.000 0.208 71 L C 2.394 179.206 176.870 -0.097 0.000 1.085 71 L CA 1.839 56.641 54.840 -0.063 0.000 0.755 71 L CB -0.695 41.345 42.059 -0.032 0.000 0.904 71 L HN 0.539 nan 8.230 nan 0.000 0.435 72 D N 0.397 120.734 120.400 -0.105 0.000 2.097 72 D HA -0.240 4.400 4.640 0.000 0.000 0.195 72 D C 2.156 178.330 176.300 -0.210 0.000 0.989 72 D CA 0.922 54.847 54.000 -0.126 0.000 0.827 72 D CB 0.078 40.815 40.800 -0.105 0.000 0.966 72 D HN 0.055 nan 8.370 nan 0.000 0.456 73 L N 0.353 121.408 121.223 -0.280 0.000 2.013 73 L HA -0.136 4.204 4.340 0.000 0.000 0.212 73 L C 2.162 178.698 176.870 -0.557 0.000 1.073 73 L CA 1.592 56.130 54.840 -0.503 0.000 0.753 73 L CB -0.687 41.023 42.059 -0.582 0.000 0.890 73 L HN 0.267 nan 8.230 nan 0.000 0.432 74 L N -0.559 120.467 121.223 -0.328 0.000 1.994 74 L HA -0.233 4.108 4.340 0.000 0.000 0.208 74 L C 2.845 179.586 176.870 -0.215 0.000 1.071 74 L CA 2.011 56.742 54.840 -0.183 0.000 0.745 74 L CB -0.659 41.355 42.059 -0.075 0.000 0.892 74 L HN 0.409 nan 8.230 nan 0.000 0.431 75 R N 0.016 120.374 120.500 -0.238 0.000 2.115 75 R HA -0.051 4.289 4.340 0.000 0.000 0.226 75 R C 2.002 178.165 176.300 -0.229 0.000 1.100 75 R CA 1.403 57.304 56.100 -0.331 0.000 0.980 75 R CB -0.744 29.428 30.300 -0.214 0.000 0.875 75 R HN 0.276 nan 8.270 nan 0.000 0.445 76 G N -0.778 107.904 108.800 -0.195 0.000 2.744 76 G HA2 0.018 3.978 3.960 0.000 0.000 0.211 76 G HA3 0.018 3.978 3.960 0.000 0.000 0.211 76 G C 0.712 175.510 174.900 -0.170 0.000 1.146 76 G CA 0.702 45.709 45.100 -0.155 0.000 0.787 76 G HN 0.372 nan 8.290 nan 0.000 0.534 77 T N -0.938 113.471 114.554 -0.241 0.000 3.388 77 T HA 0.201 4.551 4.350 0.000 0.000 0.254 77 T C 1.818 176.510 174.700 -0.014 0.000 1.002 77 T CA -0.339 61.620 62.100 -0.236 0.000 1.164 77 T CB -0.219 68.302 68.868 -0.578 0.000 1.184 77 T HN 0.132 nan 8.240 nan 0.000 0.399 78 F N 1.676 121.542 119.950 -0.140 0.000 2.128 78 F HA 0.090 4.617 4.527 0.000 0.000 0.295 78 F C 2.277 178.042 175.800 -0.059 0.000 1.100 78 F CA 0.595 58.545 58.000 -0.084 0.000 1.260 78 F CB -0.259 38.690 39.000 -0.085 0.000 1.009 78 F HN 0.021 nan 8.300 nan 0.000 0.476 79 L N 0.004 121.280 121.223 0.088 0.000 2.017 79 L HA -0.147 4.193 4.340 0.000 0.000 0.208 79 L C -0.589 176.306 176.870 0.040 0.000 1.073 79 L CA 1.380 56.233 54.840 0.022 0.000 0.745 79 L CB -2.149 39.841 42.059 -0.115 0.000 0.894 79 L HN 0.030 nan 8.230 nan 0.000 0.432 80 P HA -0.191 nan 4.420 nan 0.000 0.216 80 P C 1.450 178.798 177.300 0.079 0.000 1.150 80 P CA 1.782 64.908 63.100 0.043 0.000 0.843 80 P CB -0.013 31.700 31.700 0.022 0.000 0.787 81 A N -0.488 122.397 122.820 0.108 0.000 2.019 81 A HA -0.146 4.174 4.320 0.000 0.000 0.219 81 A C 2.022 179.706 177.584 0.167 0.000 1.164 81 A CA 1.692 53.811 52.037 0.137 0.000 0.644 81 A CB -1.337 17.766 19.000 0.171 0.000 0.805 81 A HN 0.387 nan 8.150 nan 0.000 0.449 82 I N -4.409 116.263 120.570 0.170 0.000 4.139 82 I HA 0.337 4.507 4.170 0.000 0.000 0.320 82 I C 0.089 176.352 176.117 0.243 0.000 1.290 82 I CA -0.317 61.150 61.300 0.279 0.000 1.253 82 I CB -0.006 38.090 38.000 0.161 0.000 1.122 82 I HN -0.056 nan 8.210 nan 0.000 0.421 83 L N 3.546 124.860 121.223 0.151 0.000 2.455 83 L HA 0.325 4.665 4.340 0.000 0.000 0.272 83 L C 1.389 178.312 176.870 0.088 0.000 1.174 83 L CA 1.104 56.020 54.840 0.128 0.000 0.869 83 L CB 0.607 42.732 42.059 0.110 0.000 1.130 83 L HN 0.592 nan 8.230 nan 0.000 0.474 84 G N 1.536 110.382 108.800 0.077 0.000 2.205 84 G HA2 -0.210 3.750 3.960 0.000 0.000 0.261 84 G HA3 -0.210 3.750 3.960 0.000 0.000 0.261 84 G C 0.291 175.167 174.900 -0.040 0.000 0.980 84 G CA -0.370 44.745 45.100 0.024 0.000 0.632 84 G HN 0.513 nan 8.290 nan 0.000 0.533 85 Q N 0.595 120.359 119.800 -0.061 0.000 2.227 85 Q HA 0.624 4.964 4.340 0.000 0.000 0.245 85 Q C -0.167 175.509 176.000 -0.540 0.000 0.926 85 Q CA 0.140 55.748 55.803 -0.324 0.000 0.895 85 Q CB 1.460 29.959 28.738 -0.399 0.000 1.230 85 Q HN 0.249 nan 8.270 nan 0.000 0.450 86 T N 1.876 115.966 114.554 -0.773 0.000 2.829 86 T HA 0.711 5.061 4.350 0.000 0.000 0.280 86 T C -0.743 173.337 174.700 -1.032 0.000 0.999 86 T CA -0.317 61.387 62.100 -0.659 0.000 0.983 86 T CB 0.391 69.054 68.868 -0.342 0.000 0.968 86 T HN 0.265 nan 8.240 nan 0.000 0.446 87 F N 0.001 119.562 119.950 -0.649 0.000 2.588 87 F HA 0.603 5.130 4.527 -0.000 0.000 0.310 87 F C 1.019 176.358 175.800 -0.769 0.000 1.082 87 F CA -1.269 56.279 58.000 -0.752 0.000 0.929 87 F CB 1.555 39.970 39.000 -0.975 0.000 1.254 87 F HN 0.641 nan 8.300 nan 0.000 0.455 88 A N 1.569 124.209 122.820 -0.300 0.000 1.930 88 A HA 0.126 4.446 4.320 0.000 0.000 0.215 88 A C 0.255 177.520 177.584 -0.531 0.000 1.176 88 A CA 1.532 53.398 52.037 -0.286 0.000 0.632 88 A CB -0.577 18.313 19.000 -0.184 0.000 0.819 88 A HN 0.828 nan 8.150 nan 0.000 0.445 89 N N -4.186 114.208 118.700 -0.510 0.000 3.020 89 N HA 0.340 5.080 4.740 0.000 0.000 0.248 89 N C -3.082 172.098 175.510 -0.550 0.000 1.480 89 N CA -1.580 50.975 53.050 -0.825 0.000 0.874 89 N CB 0.220 38.240 38.487 -0.779 0.000 1.433 89 N HN -0.284 nan 8.380 nan 0.000 0.530 90 P HA -0.038 nan 4.420 nan 0.000 0.218 90 P C 0.518 177.535 177.300 -0.472 0.000 1.149 90 P CA 1.344 64.001 63.100 -0.738 0.000 0.817 90 P CB 0.287 31.028 31.700 -1.599 0.000 0.785 91 E N -0.092 119.882 120.200 -0.376 0.000 2.085 91 E HA -0.168 4.182 4.350 0.000 0.000 0.194 91 E C 2.155 178.649 176.600 -0.177 0.000 0.994 91 E CA 1.658 57.951 56.400 -0.178 0.000 0.801 91 E CB -1.109 28.535 29.700 -0.095 0.000 0.743 91 E HN 0.144 nan 8.360 nan 0.000 0.453 92 A N 0.440 123.140 122.820 -0.199 0.000 1.933 92 A HA -0.159 4.161 4.320 0.000 0.000 0.218 92 A C 2.467 179.928 177.584 -0.205 0.000 1.175 92 A CA 1.396 53.372 52.037 -0.102 0.000 0.628 92 A CB -0.736 18.266 19.000 0.004 0.000 0.814 92 A HN 0.144 nan 8.150 nan 0.000 0.444 93 V N 0.056 119.619 119.914 -0.585 0.000 2.255 93 V HA -0.276 3.844 4.120 0.000 0.000 0.247 93 V C 2.793 178.627 176.094 -0.433 0.000 1.051 93 V CA 2.482 64.246 62.300 -0.893 0.000 1.018 93 V CB -1.060 30.265 31.823 -0.831 0.000 0.641 93 V HN 0.567 nan 8.190 nan 0.000 0.445 94 S N -0.247 115.274 115.700 -0.298 0.000 2.370 94 S HA -0.279 4.191 4.470 0.000 0.000 0.226 94 S C 1.833 176.339 174.600 -0.156 0.000 1.033 94 S CA 1.849 59.922 58.200 -0.211 0.000 1.011 94 S CB -0.526 62.596 63.200 -0.130 0.000 0.852 94 S HN 0.782 nan 8.310 nan 0.000 0.457 95 D N 1.435 121.767 120.400 -0.113 0.000 2.182 95 D HA -0.064 4.577 4.640 0.000 0.000 0.201 95 D C 1.796 178.079 176.300 -0.029 0.000 0.986 95 D CA 1.167 55.133 54.000 -0.056 0.000 0.847 95 D CB -0.236 40.544 40.800 -0.033 0.000 0.942 95 D HN 0.363 nan 8.370 nan 0.000 0.467 96 A N -0.280 122.528 122.820 -0.020 0.000 2.119 96 A HA 0.033 4.353 4.320 0.000 0.000 0.217 96 A C 2.182 179.790 177.584 0.039 0.000 1.153 96 A CA 0.412 52.483 52.037 0.058 0.000 0.692 96 A CB -0.514 18.610 19.000 0.206 0.000 0.799 96 A HN 0.367 nan 8.150 nan 0.000 0.458 97 L N -1.275 119.917 121.223 -0.052 0.000 2.291 97 L HA 0.165 4.505 4.340 0.000 0.000 0.214 97 L C 1.479 178.463 176.870 0.190 0.000 1.120 97 L CA 0.593 55.404 54.840 -0.048 0.000 0.799 97 L CB -1.023 40.747 42.059 -0.480 0.000 0.925 97 L HN 0.620 nan 8.230 nan 0.000 0.446 98 G N -0.687 108.164 108.800 0.085 0.000 2.685 98 G HA2 -0.224 3.736 3.960 0.000 0.000 0.387 98 G HA3 -0.224 3.736 3.960 0.000 0.000 0.387 98 G C 0.061 174.944 174.900 -0.028 0.000 1.324 98 G CA -0.262 44.856 45.100 0.031 0.000 0.878 98 G HN -0.010 nan 8.290 nan 0.000 0.527 99 S N 0.399 115.969 115.700 -0.216 0.000 2.685 99 S HA 0.330 4.800 4.470 0.000 0.000 0.240 99 S C 0.468 174.971 174.600 -0.161 0.000 0.967 99 S CA -0.116 57.990 58.200 -0.158 0.000 1.009 99 S CB -0.370 62.739 63.200 -0.151 0.000 0.776 99 S HN 0.428 nan 8.310 nan 0.000 0.467 100 Y N 2.553 122.913 120.300 0.099 0.000 2.683 100 Y HA 0.057 4.607 4.550 -0.000 0.000 0.340 100 Y C 1.263 177.221 175.900 0.097 0.000 1.245 100 Y CA -0.003 58.166 58.100 0.114 0.000 1.485 100 Y CB 0.371 38.948 38.460 0.196 0.000 1.328 100 Y HN 0.049 nan 8.280 nan 0.000 0.603 101 R N 1.802 122.435 120.500 0.223 0.000 2.404 101 R HA 0.443 4.783 4.340 0.000 0.000 0.291 101 R C 0.793 177.178 176.300 0.141 0.000 1.025 101 R CA 0.098 56.281 56.100 0.139 0.000 0.991 101 R CB 1.035 31.390 30.300 0.092 0.000 1.053 101 R HN 0.978 nan 8.270 nan 0.000 0.479 102 G N 2.529 111.399 108.800 0.115 0.000 2.566 102 G HA2 -0.409 3.551 3.960 0.000 0.000 0.280 102 G HA3 -0.409 3.551 3.960 0.000 0.000 0.280 102 G C -0.199 174.777 174.900 0.128 0.000 1.225 102 G CA 0.143 45.306 45.100 0.106 0.000 0.966 102 G HN 0.867 nan 8.290 nan 0.000 0.560 103 N N -0.144 118.620 118.700 0.106 0.000 2.714 103 N HA -0.199 4.541 4.740 0.000 0.000 0.252 103 N C 1.554 177.146 175.510 0.137 0.000 1.014 103 N CA 1.253 54.370 53.050 0.112 0.000 0.735 103 N CB -0.316 38.239 38.487 0.114 0.000 0.924 103 N HN 0.695 nan 8.380 nan 0.000 0.540 104 R N 0.282 120.841 120.500 0.099 0.000 2.092 104 R HA 0.034 4.374 4.340 0.000 0.000 0.231 104 R C 2.177 178.514 176.300 0.062 0.000 1.119 104 R CA 1.115 57.261 56.100 0.078 0.000 0.970 104 R CB -0.052 30.285 30.300 0.061 0.000 0.864 104 R HN 0.428 nan 8.270 nan 0.000 0.440 105 M N 0.127 119.763 119.600 0.059 0.000 2.175 105 M HA -0.069 4.411 4.480 0.000 0.000 0.264 105 M C 2.520 178.851 176.300 0.051 0.000 1.063 105 M CA 1.561 56.884 55.300 0.038 0.000 1.119 105 M CB -0.350 32.271 32.600 0.035 0.000 1.377 105 M HN 0.160 nan 8.290 nan 0.000 0.415 106 A N 0.883 123.761 122.820 0.095 0.000 1.877 106 A HA -0.161 4.159 4.320 0.000 0.000 0.216 106 A C 2.180 179.904 177.584 0.234 0.000 1.186 106 A CA 1.584 53.713 52.037 0.153 0.000 0.620 106 A CB -0.623 18.467 19.000 0.151 0.000 0.822 106 A HN 0.413 nan 8.150 nan 0.000 0.443 107 R N -0.528 120.109 120.500 0.229 0.000 2.083 107 R HA -0.141 4.199 4.340 0.000 0.000 0.237 107 R C 2.476 178.751 176.300 -0.040 0.000 1.137 107 R CA 1.321 57.415 56.100 -0.010 0.000 0.951 107 R CB -0.559 29.703 30.300 -0.064 0.000 0.851 107 R HN 0.520 nan 8.270 nan 0.000 0.434 108 A N 1.084 123.898 122.820 -0.009 0.000 1.940 108 A HA -0.212 4.108 4.320 0.000 0.000 0.219 108 A C 2.183 179.736 177.584 -0.052 0.000 1.176 108 A CA 1.575 53.588 52.037 -0.041 0.000 0.631 108 A CB -0.489 18.476 19.000 -0.060 0.000 0.814 108 A HN 0.232 nan 8.150 nan 0.000 0.446 109 M N -0.912 118.673 119.600 -0.026 0.000 2.108 109 M HA -0.166 4.314 4.480 0.000 0.000 0.261 109 M C 2.105 178.395 176.300 -0.018 0.000 1.066 109 M CA 1.642 56.925 55.300 -0.029 0.000 1.107 109 M CB -0.487 32.116 32.600 0.006 0.000 1.356 109 M HN 0.286 nan 8.290 nan 0.000 0.406 110 V N -0.171 119.737 119.914 -0.010 0.000 2.323 110 V HA -0.207 3.913 4.120 0.000 0.000 0.244 110 V C 2.418 178.484 176.094 -0.047 0.000 1.041 110 V CA 1.734 64.013 62.300 -0.034 0.000 1.025 110 V CB -0.714 31.057 31.823 -0.086 0.000 0.656 110 V HN 0.468 nan 8.190 nan 0.000 0.451 111 E N 0.015 120.187 120.200 -0.047 0.000 2.077 111 E HA -0.206 4.144 4.350 0.000 0.000 0.193 111 E C 2.177 178.883 176.600 0.176 0.000 0.989 111 E CA 1.667 58.073 56.400 0.011 0.000 0.800 111 E CB -0.095 29.626 29.700 0.035 0.000 0.746 111 E HN 0.564 nan 8.360 nan 0.000 0.452 112 M N -0.275 119.408 119.600 0.138 0.000 2.236 112 M HA -0.027 4.453 4.480 0.000 0.000 0.266 112 M C 2.417 178.883 176.300 0.276 0.000 1.070 112 M CA 1.174 56.612 55.300 0.231 0.000 1.137 112 M CB -0.128 32.357 32.600 -0.192 0.000 1.378 112 M HN 0.067 nan 8.290 nan 0.000 0.426 113 A N 0.689 123.575 122.820 0.111 0.000 1.933 113 A HA -0.071 4.249 4.320 0.000 0.000 0.218 113 A C 2.375 180.017 177.584 0.096 0.000 1.175 113 A CA 1.947 54.050 52.037 0.110 0.000 0.628 113 A CB -0.880 18.143 19.000 0.038 0.000 0.814 113 A HN 0.483 nan 8.150 nan 0.000 0.444 114 A N -1.502 121.352 122.820 0.056 0.000 1.898 114 A HA -0.136 4.184 4.320 0.000 0.000 0.216 114 A C 1.972 179.525 177.584 -0.053 0.000 1.181 114 A CA 1.274 53.292 52.037 -0.032 0.000 0.620 114 A CB -0.889 18.044 19.000 -0.112 0.000 0.819 114 A HN 0.738 nan 8.150 nan 0.000 0.442 115 W N 0.046 121.401 121.300 0.092 0.000 2.335 115 W HA -0.194 4.466 4.660 -0.000 0.000 0.311 115 W C 2.093 178.647 176.519 0.057 0.000 1.213 115 W CA 1.448 58.873 57.345 0.132 0.000 1.274 115 W CB -0.171 29.405 29.460 0.194 0.000 1.148 115 W HN 0.457 nan 8.180 nan 0.000 0.498 116 D N -0.063 120.509 120.400 0.286 0.000 2.117 116 D HA -0.185 4.455 4.640 0.000 0.000 0.197 116 D C 2.012 178.308 176.300 -0.006 0.000 0.987 116 D CA 1.308 55.361 54.000 0.087 0.000 0.829 116 D CB -0.442 40.421 40.800 0.104 0.000 0.961 116 D HN 0.020 nan 8.370 nan 0.000 0.460 117 L N 0.487 121.693 121.223 -0.029 0.000 2.017 117 L HA -0.057 4.283 4.340 0.000 0.000 0.208 117 L C 2.227 178.969 176.870 -0.214 0.000 1.073 117 L CA 1.791 56.557 54.840 -0.123 0.000 0.745 117 L CB -1.046 40.929 42.059 -0.140 0.000 0.894 117 L HN 0.375 nan 8.230 nan 0.000 0.432 118 W N 0.411 121.374 121.300 -0.561 0.000 2.338 118 W HA -0.287 4.373 4.660 0.000 0.000 0.304 118 W C 2.056 178.417 176.519 -0.262 0.000 1.212 118 W CA 1.685 58.649 57.345 -0.635 0.000 1.264 118 W CB -0.184 28.879 29.460 -0.662 0.000 1.142 118 W HN 0.363 nan 8.180 nan 0.000 0.512 119 A N 1.178 123.851 122.820 -0.246 0.000 1.933 119 A HA -0.193 4.128 4.320 0.000 0.000 0.218 119 A C 2.005 179.418 177.584 -0.285 0.000 1.175 119 A CA 1.743 53.593 52.037 -0.312 0.000 0.628 119 A CB -0.795 18.132 19.000 -0.122 0.000 0.814 119 A HN 0.420 nan 8.150 nan 0.000 0.444 120 R N -0.701 119.675 120.500 -0.207 0.000 2.119 120 R HA -0.059 4.281 4.340 0.000 0.000 0.222 120 R C 2.422 178.625 176.300 -0.161 0.000 1.088 120 R CA 1.550 57.556 56.100 -0.157 0.000 0.984 120 R CB -0.540 29.696 30.300 -0.107 0.000 0.884 120 R HN 0.743 nan 8.270 nan 0.000 0.447 121 T N -0.823 113.615 114.554 -0.193 0.000 2.881 121 T HA -0.069 4.281 4.350 0.000 0.000 0.270 121 T C 1.735 176.312 174.700 -0.205 0.000 1.068 121 T CA 1.002 63.013 62.100 -0.149 0.000 1.131 121 T CB -0.108 68.710 68.868 -0.085 0.000 0.871 121 T HN 0.150 nan 8.240 nan 0.000 0.479 122 L N 0.132 121.150 121.223 -0.341 0.000 2.477 122 L HA 0.395 4.735 4.340 0.000 0.000 0.220 122 L C 2.079 178.827 176.870 -0.204 0.000 1.106 122 L CA 0.373 55.020 54.840 -0.322 0.000 0.851 122 L CB -0.509 41.246 42.059 -0.507 0.000 0.994 122 L HN 0.549 nan 8.230 nan 0.000 0.462 123 G N 1.013 109.707 108.800 -0.178 0.000 2.160 123 G HA2 -0.225 3.735 3.960 0.000 0.000 0.244 123 G HA3 -0.225 3.735 3.960 0.000 0.000 0.244 123 G C -0.068 174.764 174.900 -0.114 0.000 1.022 123 G CA 0.143 45.171 45.100 -0.120 0.000 0.741 123 G HN 0.126 nan 8.290 nan 0.000 0.508 124 V N 0.423 120.249 119.914 -0.147 0.000 2.628 124 V HA 0.546 4.666 4.120 0.000 0.000 0.306 124 V C -1.889 174.146 176.094 -0.099 0.000 1.045 124 V CA -2.030 60.202 62.300 -0.114 0.000 0.905 124 V CB 2.177 33.920 31.823 -0.132 0.000 0.997 124 V HN 0.070 nan 8.190 nan 0.000 0.436 125 P HA 0.028 nan 4.420 nan 0.000 0.265 125 P C 0.650 177.921 177.300 -0.048 0.000 1.193 125 P CA -0.068 63.024 63.100 -0.014 0.000 0.765 125 P CB 0.591 32.334 31.700 0.072 0.000 0.823 126 L N 5.864 126.973 121.223 -0.190 0.000 1.990 126 L HA -0.256 4.084 4.340 0.000 0.000 0.213 126 L C 2.122 178.925 176.870 -0.112 0.000 1.072 126 L CA 2.153 56.854 54.840 -0.231 0.000 0.755 126 L CB -1.480 40.253 42.059 -0.543 0.000 0.889 126 L HN 0.567 nan 8.230 nan 0.000 0.432 127 C N -2.822 116.571 119.300 0.155 0.000 2.396 127 C HA -0.190 4.271 4.460 0.000 0.000 0.277 127 C C 2.494 177.466 174.990 -0.030 0.000 1.231 127 C CA 1.210 60.241 59.018 0.021 0.000 1.775 127 C CB -2.190 25.542 27.740 -0.014 0.000 2.036 127 C HN 0.630 nan 8.230 nan 0.000 0.484 128 T N 2.010 116.568 114.554 0.007 0.000 2.737 128 T HA -0.027 4.323 4.350 0.000 0.000 0.265 128 T C 1.734 176.444 174.700 0.016 0.000 1.038 128 T CA 1.787 63.895 62.100 0.013 0.000 1.144 128 T CB -0.355 68.520 68.868 0.012 0.000 0.866 128 T HN 0.608 nan 8.240 nan 0.000 0.434 129 L N 0.517 121.750 121.223 0.017 0.000 2.275 129 L HA 0.061 4.401 4.340 0.000 0.000 0.215 129 L C 2.109 178.996 176.870 0.029 0.000 1.119 129 L CA 0.791 55.687 54.840 0.093 0.000 0.790 129 L CB -0.525 41.673 42.059 0.232 0.000 0.919 129 L HN 0.253 nan 8.230 nan 0.000 0.443 130 L N -0.611 120.534 121.223 -0.130 0.000 2.492 130 L HA 0.133 4.473 4.340 0.000 0.000 0.223 130 L C 1.486 178.299 176.870 -0.094 0.000 1.132 130 L CA 0.686 55.395 54.840 -0.218 0.000 0.850 130 L CB -0.280 41.554 42.059 -0.375 0.000 0.966 130 L HN 0.479 nan 8.230 nan 0.000 0.454 131 G N -0.312 108.472 108.800 -0.027 0.000 2.163 131 G HA2 -0.181 3.779 3.960 0.000 0.000 0.213 131 G HA3 -0.181 3.779 3.960 0.000 0.000 0.213 131 G C 0.452 175.389 174.900 0.062 0.000 0.991 131 G CA -0.341 44.780 45.100 0.034 0.000 0.653 131 G HN 0.474 nan 8.290 nan 0.000 0.518 132 G N -0.396 108.401 108.800 -0.005 0.000 2.444 132 G HA2 0.633 4.593 3.960 0.000 0.000 0.268 132 G HA3 0.633 4.593 3.960 0.000 0.000 0.268 132 G C 0.015 174.937 174.900 0.037 0.000 1.203 132 G CA 0.095 45.166 45.100 -0.048 0.000 0.835 132 G HN 1.325 nan 8.290 nan 0.000 0.543 133 H N -1.614 117.443 119.070 -0.022 0.000 2.907 133 H HA 0.402 4.958 4.556 0.000 0.000 0.233 133 H C 0.040 175.355 175.328 -0.022 0.000 1.285 133 H CA -0.689 55.347 56.048 -0.020 0.000 0.981 133 H CB 0.003 29.762 29.762 -0.006 0.000 2.255 133 H HN 0.273 nan 8.280 nan 0.000 0.601 134 K N 0.697 121.025 120.400 -0.120 0.000 2.098 134 K HA 0.217 4.537 4.320 0.000 0.000 0.261 134 K C 0.059 176.618 176.600 -0.069 0.000 0.987 134 K CA -0.498 55.736 56.287 -0.088 0.000 0.916 134 K CB 1.765 34.200 32.500 -0.109 0.000 1.039 134 K HN 0.389 nan 8.250 nan 0.000 0.455 135 E N 0.752 120.923 120.200 -0.048 0.000 2.415 135 E HA -0.060 4.290 4.350 0.000 0.000 0.197 135 E C -0.076 176.485 176.600 -0.066 0.000 1.007 135 E CA 0.256 56.624 56.400 -0.054 0.000 0.890 135 E CB 0.571 30.254 29.700 -0.028 0.000 0.891 135 E HN 0.467 nan 8.360 nan 0.000 0.496 136 Q N 0.044 119.809 119.800 -0.058 0.000 2.462 136 Q HA 0.523 4.863 4.340 0.000 0.000 0.285 136 Q C -0.890 175.081 176.000 -0.047 0.000 1.035 136 Q CA -1.054 54.716 55.803 -0.054 0.000 0.799 136 Q CB 2.075 30.793 28.738 -0.034 0.000 1.452 136 Q HN -0.022 nan 8.270 nan 0.000 0.404 137 V N -2.147 117.745 119.914 -0.038 0.000 2.680 137 V HA 0.565 4.685 4.120 0.000 0.000 0.309 137 V C -0.459 175.648 176.094 0.022 0.000 1.052 137 V CA -0.862 61.429 62.300 -0.015 0.000 0.908 137 V CB 1.760 33.557 31.823 -0.043 0.000 1.001 137 V HN 0.866 nan 8.190 nan 0.000 0.431 138 E N 2.244 122.473 120.200 0.048 0.000 2.338 138 E HA 0.512 4.862 4.350 0.000 0.000 0.272 138 E C -0.369 176.288 176.600 0.095 0.000 1.029 138 E CA -0.290 56.147 56.400 0.063 0.000 0.872 138 E CB 1.884 31.622 29.700 0.063 0.000 1.015 138 E HN 0.942 nan 8.360 nan 0.000 0.417 139 V N -0.562 119.420 119.914 0.112 0.000 2.962 139 V HA 0.906 5.026 4.120 0.000 0.000 0.313 139 V C 0.024 176.239 176.094 0.203 0.000 1.099 139 V CA -0.615 61.781 62.300 0.160 0.000 0.971 139 V CB 1.815 33.758 31.823 0.200 0.000 1.028 139 V HN 0.698 nan 8.190 nan 0.000 0.430 140 G N 1.017 109.885 108.800 0.112 0.000 3.175 140 G HA2 0.854 4.814 3.960 0.000 0.000 0.255 140 G HA3 0.854 4.814 3.960 0.000 0.000 0.255 140 G C -0.743 174.019 174.900 -0.230 0.000 1.352 140 G CA -0.323 44.783 45.100 0.010 0.000 1.037 140 G HN 1.844 nan 8.290 nan 0.000 0.556 141 V N -2.038 117.642 119.914 -0.389 0.000 3.040 141 V HA 0.855 4.975 4.120 0.000 0.000 0.312 141 V C -0.308 175.576 176.094 -0.350 0.000 1.115 141 V CA -0.877 61.112 62.300 -0.518 0.000 0.998 141 V CB 1.430 32.696 31.823 -0.930 0.000 1.042 141 V HN 1.173 nan 8.190 nan 0.000 0.433 142 S N 2.817 118.354 115.700 -0.272 0.000 2.519 142 S HA 0.851 5.321 4.470 0.000 0.000 0.309 142 S C -0.767 173.722 174.600 -0.186 0.000 1.100 142 S CA -0.729 57.366 58.200 -0.175 0.000 1.059 142 S CB 1.130 64.301 63.200 -0.049 0.000 1.008 142 S HN 0.757 nan 8.310 nan 0.000 0.478 143 L N 2.347 123.471 121.223 -0.164 0.000 2.322 143 L HA 0.768 5.108 4.340 0.000 0.000 0.269 143 L C 1.149 177.998 176.870 -0.035 0.000 1.012 143 L CA -1.133 53.631 54.840 -0.127 0.000 0.815 143 L CB 1.288 43.264 42.059 -0.138 0.000 1.295 143 L HN 0.877 nan 8.230 nan 0.000 0.438 144 G N 0.431 109.227 108.800 -0.006 0.000 2.516 144 G HA2 0.460 4.420 3.960 0.000 0.000 0.276 144 G HA3 0.460 4.420 3.960 0.000 0.000 0.276 144 G C -0.305 174.643 174.900 0.080 0.000 1.390 144 G CA -0.687 44.435 45.100 0.036 0.000 1.050 144 G HN 0.418 nan 8.290 nan 0.000 0.519 145 I N 0.812 121.447 120.570 0.108 0.000 2.441 145 I HA 0.137 4.307 4.170 0.000 0.000 0.287 145 I C 0.111 176.308 176.117 0.133 0.000 1.049 145 I CA -0.352 61.061 61.300 0.189 0.000 1.381 145 I CB 1.392 39.510 38.000 0.197 0.000 1.409 145 I HN 0.232 nan 8.210 nan 0.000 0.523 146 Q N 4.064 123.994 119.800 0.217 0.000 2.212 146 Q HA 0.388 4.728 4.340 0.000 0.000 0.238 146 Q C 0.921 176.940 176.000 0.031 0.000 0.955 146 Q CA -0.372 55.509 55.803 0.130 0.000 0.906 146 Q CB 1.233 30.067 28.738 0.161 0.000 1.215 146 Q HN 0.775 nan 8.270 nan 0.000 0.478 147 A N 0.976 123.780 122.820 -0.027 0.000 1.978 147 A HA -0.139 4.181 4.320 0.000 0.000 0.220 147 A C 0.176 177.626 177.584 -0.223 0.000 1.170 147 A CA 2.292 54.249 52.037 -0.134 0.000 0.636 147 A CB -0.269 18.688 19.000 -0.072 0.000 0.810 147 A HN 0.807 nan 8.150 nan 0.000 0.448 148 D N -4.792 115.609 120.400 0.001 0.000 2.738 148 D HA 0.140 4.780 4.640 0.000 0.000 0.308 148 D C 0.121 176.684 176.300 0.439 0.000 1.311 148 D CA -0.213 53.879 54.000 0.154 0.000 0.799 148 D CB -0.302 40.529 40.800 0.051 0.000 1.332 148 D HN -0.003 nan 8.370 nan 0.000 0.441 149 E N -0.891 119.589 120.200 0.466 0.000 2.097 149 E HA -0.286 4.064 4.350 0.000 0.000 0.196 149 E C 1.342 178.026 176.600 0.139 0.000 1.000 149 E CA 1.636 58.181 56.400 0.241 0.000 0.804 149 E CB 0.019 29.804 29.700 0.141 0.000 0.740 149 E HN 0.399 nan 8.360 nan 0.000 0.454 150 Q N 0.668 120.537 119.800 0.117 0.000 2.016 150 Q HA -0.084 4.257 4.340 0.000 0.000 0.200 150 Q C 2.001 178.054 176.000 0.087 0.000 0.978 150 Q CA 1.845 57.696 55.803 0.079 0.000 0.833 150 Q CB -0.501 28.269 28.738 0.054 0.000 0.895 150 Q HN 0.241 nan 8.270 nan 0.000 0.427 151 A N -0.436 122.439 122.820 0.093 0.000 1.873 151 A HA -0.269 4.051 4.320 0.000 0.000 0.218 151 A C 2.324 179.969 177.584 0.102 0.000 1.193 151 A CA 2.404 54.490 52.037 0.083 0.000 0.629 151 A CB -1.405 17.637 19.000 0.071 0.000 0.826 151 A HN 0.524 nan 8.150 nan 0.000 0.447 152 T N -0.268 114.370 114.554 0.139 0.000 2.597 152 T HA -0.198 4.152 4.350 0.000 0.000 0.267 152 T C 1.858 176.624 174.700 0.111 0.000 1.053 152 T CA 1.976 64.153 62.100 0.129 0.000 1.165 152 T CB -0.682 68.270 68.868 0.141 0.000 0.863 152 T HN 0.173 nan 8.240 nan 0.000 0.427 153 V N 1.999 121.986 119.914 0.122 0.000 2.407 153 V HA -0.176 3.944 4.120 0.000 0.000 0.248 153 V C 2.350 178.568 176.094 0.207 0.000 1.055 153 V CA 1.811 64.221 62.300 0.183 0.000 1.049 153 V CB -0.627 31.273 31.823 0.128 0.000 0.662 153 V HN 0.460 nan 8.190 nan 0.000 0.455 154 D N -0.115 120.364 120.400 0.131 0.000 2.097 154 D HA -0.145 4.495 4.640 0.000 0.000 0.197 154 D C 1.970 178.325 176.300 0.092 0.000 0.984 154 D CA 1.196 55.260 54.000 0.107 0.000 0.826 154 D CB -0.314 40.526 40.800 0.067 0.000 0.973 154 D HN 0.382 nan 8.370 nan 0.000 0.460 155 L N 0.647 121.921 121.223 0.084 0.000 2.141 155 L HA -0.097 4.243 4.340 0.000 0.000 0.209 155 L C 2.158 179.101 176.870 0.121 0.000 1.094 155 L CA 1.017 55.908 54.840 0.084 0.000 0.763 155 L CB -0.153 41.959 42.059 0.089 0.000 0.908 155 L HN -0.162 nan 8.230 nan 0.000 0.437 156 V N 0.104 120.063 119.914 0.074 0.000 2.295 156 V HA -0.302 3.818 4.120 0.000 0.000 0.246 156 V C 2.776 178.809 176.094 -0.101 0.000 1.049 156 V CA 2.134 64.418 62.300 -0.027 0.000 1.024 156 V CB -0.741 31.011 31.823 -0.117 0.000 0.648 156 V HN 0.556 nan 8.190 nan 0.000 0.447 157 R N -0.003 120.503 120.500 0.010 0.000 2.117 157 R HA -0.200 4.140 4.340 0.000 0.000 0.243 157 R C 2.515 178.823 176.300 0.012 0.000 1.143 157 R CA 1.667 57.824 56.100 0.095 0.000 0.968 157 R CB -0.231 30.255 30.300 0.309 0.000 0.863 157 R HN 0.432 nan 8.270 nan 0.000 0.444 158 R N -0.804 119.685 120.500 -0.019 0.000 2.091 158 R HA -0.175 4.165 4.340 0.000 0.000 0.238 158 R C 2.048 178.233 176.300 -0.190 0.000 1.136 158 R CA 2.091 58.114 56.100 -0.128 0.000 0.959 158 R CB -0.504 29.665 30.300 -0.218 0.000 0.856 158 R HN 0.532 nan 8.270 nan 0.000 0.437 159 H N -0.644 118.421 119.070 -0.008 0.000 2.448 159 H HA 0.019 4.575 4.556 0.000 0.000 0.292 159 H C 2.118 177.483 175.328 0.061 0.000 1.035 159 H CA 0.859 56.953 56.048 0.077 0.000 1.349 159 H CB 0.151 29.916 29.762 0.005 0.000 1.425 159 H HN -0.101 nan 8.280 nan 0.000 0.539 160 V N 1.087 121.008 119.914 0.013 0.000 2.407 160 V HA -0.223 3.897 4.120 0.000 0.000 0.248 160 V C 1.733 177.814 176.094 -0.021 0.000 1.055 160 V CA 1.887 64.144 62.300 -0.073 0.000 1.049 160 V CB -0.322 31.321 31.823 -0.299 0.000 0.662 160 V HN 0.540 nan 8.190 nan 0.000 0.455 161 E N -0.326 119.868 120.200 -0.011 0.000 2.418 161 E HA -0.157 4.193 4.350 0.000 0.000 0.197 161 E C 1.919 178.493 176.600 -0.044 0.000 1.026 161 E CA 0.435 56.827 56.400 -0.013 0.000 0.862 161 E CB -0.065 29.633 29.700 -0.004 0.000 0.799 161 E HN 0.548 nan 8.360 nan 0.000 0.518 162 Q N -0.503 119.267 119.800 -0.050 0.000 2.403 162 Q HA 0.053 4.393 4.340 0.000 0.000 0.203 162 Q C 1.259 177.119 176.000 -0.234 0.000 0.932 162 Q CA 0.685 56.409 55.803 -0.132 0.000 0.945 162 Q CB 0.914 29.577 28.738 -0.124 0.000 1.045 162 Q HN 0.433 nan 8.270 nan 0.000 0.511 163 G N 0.345 109.063 108.800 -0.137 0.000 2.143 163 G HA2 -0.315 3.645 3.960 0.000 0.000 0.249 163 G HA3 -0.315 3.645 3.960 0.000 0.000 0.249 163 G C -0.177 174.636 174.900 -0.144 0.000 0.981 163 G CA -0.133 44.886 45.100 -0.136 0.000 0.665 163 G HN 0.363 nan 8.290 nan 0.000 0.528 164 Y N 0.143 120.430 120.300 -0.020 0.000 2.712 164 Y HA 0.215 4.766 4.550 0.000 0.000 0.333 164 Y C 2.088 177.958 175.900 -0.051 0.000 1.225 164 Y CA 0.510 58.594 58.100 -0.027 0.000 1.499 164 Y CB 0.429 38.877 38.460 -0.021 0.000 1.288 164 Y HN 0.126 nan 8.280 nan 0.000 0.575 165 R N 1.516 122.093 120.500 0.128 0.000 2.310 165 R HA 0.098 4.438 4.340 0.000 0.000 0.202 165 R C 0.264 176.560 176.300 -0.008 0.000 0.933 165 R CA 0.241 56.364 56.100 0.038 0.000 1.054 165 R CB 0.330 30.648 30.300 0.031 0.000 0.985 165 R HN 0.387 nan 8.270 nan 0.000 0.489 166 R N 0.985 121.470 120.500 -0.024 0.000 2.594 166 R HA 0.232 4.572 4.340 0.000 0.000 0.265 166 R C -1.821 174.389 176.300 -0.149 0.000 1.070 166 R CA -0.514 55.517 56.100 -0.116 0.000 0.909 166 R CB 1.362 31.557 30.300 -0.176 0.000 1.243 166 R HN -0.085 nan 8.270 nan 0.000 0.455 167 I N 3.616 124.074 120.570 -0.186 0.000 2.378 167 I HA 0.365 4.535 4.170 0.000 0.000 0.291 167 I C -0.002 175.978 176.117 -0.227 0.000 0.992 167 I CA -0.644 60.529 61.300 -0.212 0.000 1.154 167 I CB 1.562 39.439 38.000 -0.205 0.000 1.315 167 I HN 0.496 nan 8.210 nan 0.000 0.448 168 K N 7.584 127.851 120.400 -0.222 0.000 2.307 168 K HA 0.623 4.943 4.320 0.000 0.000 0.263 168 K C -1.439 175.086 176.600 -0.125 0.000 0.973 168 K CA -0.509 55.669 56.287 -0.182 0.000 0.846 168 K CB 1.203 33.611 32.500 -0.155 0.000 1.100 168 K HN 0.528 nan 8.250 nan 0.000 0.438 169 L N 4.047 125.213 121.223 -0.095 0.000 2.289 169 L HA 0.405 4.745 4.340 0.000 0.000 0.285 169 L C 0.347 177.222 176.870 0.009 0.000 1.049 169 L CA -0.906 53.905 54.840 -0.048 0.000 0.804 169 L CB 1.358 43.379 42.059 -0.063 0.000 1.195 169 L HN 0.590 nan 8.230 nan 0.000 0.428 170 K N 4.386 124.813 120.400 0.046 0.000 2.382 170 K HA 0.392 4.712 4.320 0.000 0.000 0.275 170 K C -0.604 176.070 176.600 0.123 0.000 1.009 170 K CA -0.080 56.265 56.287 0.096 0.000 0.970 170 K CB 0.662 33.223 32.500 0.103 0.000 0.934 170 K HN 0.619 nan 8.250 nan 0.000 0.479 171 I N -0.054 120.613 120.570 0.161 0.000 3.174 171 I HA 0.588 4.758 4.170 0.000 0.000 0.313 171 I C -1.195 175.082 176.117 0.267 0.000 1.155 171 I CA -1.088 60.333 61.300 0.201 0.000 0.977 171 I CB 2.298 40.391 38.000 0.155 0.000 1.248 171 I HN 0.615 nan 8.210 nan 0.000 0.453 172 K N 0.952 121.517 120.400 0.275 0.000 2.507 172 K HA 0.687 5.007 4.320 0.000 0.000 0.284 172 K C -3.267 173.411 176.600 0.131 0.000 1.038 172 K CA -1.737 54.626 56.287 0.126 0.000 0.903 172 K CB 1.761 34.300 32.500 0.065 0.000 1.531 172 K HN 0.318 nan 8.250 nan 0.000 0.430 173 P HA 0.178 nan 4.420 nan 0.000 0.286 173 P C -0.414 176.923 177.300 0.061 0.000 1.261 173 P CA -0.327 62.787 63.100 0.023 0.000 0.821 173 P CB 1.270 32.914 31.700 -0.094 0.000 1.013 174 G N 2.429 111.306 108.800 0.128 0.000 3.727 174 G HA2 0.263 4.223 3.960 0.000 0.000 0.301 174 G HA3 0.263 4.223 3.960 0.000 0.000 0.301 174 G C -1.038 174.053 174.900 0.317 0.000 1.128 174 G CA -0.405 44.804 45.100 0.183 0.000 1.545 174 G HN 0.567 nan 8.290 nan 0.000 0.555 175 W N 3.859 125.196 121.300 0.061 0.000 2.451 175 W HA 0.273 4.933 4.660 0.000 0.000 0.285 175 W C -0.997 175.572 176.519 0.084 0.000 1.024 175 W CA -0.782 56.595 57.345 0.054 0.000 1.421 175 W CB 1.212 30.692 29.460 0.034 0.000 1.319 175 W HN 0.670 nan 8.180 nan 0.000 0.366 176 D N -0.092 120.232 120.400 -0.126 0.000 2.548 176 D HA -0.031 4.609 4.640 0.000 0.000 0.223 176 D C 1.516 177.687 176.300 -0.215 0.000 1.346 176 D CA 0.268 54.198 54.000 -0.116 0.000 1.318 176 D CB 0.122 40.977 40.800 0.092 0.000 1.669 176 D HN -0.043 nan 8.370 nan 0.000 0.416 177 V N 0.819 120.655 119.914 -0.130 0.000 2.490 177 V HA -0.212 3.908 4.120 0.000 0.000 0.250 177 V C 2.198 178.131 176.094 -0.269 0.000 1.061 177 V CA 1.983 64.217 62.300 -0.109 0.000 1.064 177 V CB -0.886 30.942 31.823 0.009 0.000 0.670 177 V HN 0.098 nan 8.190 nan 0.000 0.461 178 Q N 0.161 119.714 119.800 -0.412 0.000 1.969 178 Q HA -0.065 4.275 4.340 0.000 0.000 0.198 178 Q C 0.119 175.748 176.000 -0.620 0.000 0.978 178 Q CA 1.845 57.342 55.803 -0.510 0.000 0.830 178 Q CB -1.839 26.536 28.738 -0.604 0.000 0.896 178 Q HN 0.473 nan 8.270 nan 0.000 0.431 179 P HA -0.212 nan 4.420 nan 0.000 0.218 179 P C 1.249 178.325 177.300 -0.372 0.000 1.154 179 P CA 1.345 64.092 63.100 -0.588 0.000 0.872 179 P CB -0.054 31.257 31.700 -0.648 0.000 0.790 180 V N -0.019 119.658 119.914 -0.395 0.000 2.323 180 V HA -0.171 3.949 4.120 0.000 0.000 0.244 180 V C 2.870 178.624 176.094 -0.567 0.000 1.041 180 V CA 1.775 63.860 62.300 -0.358 0.000 1.025 180 V CB -1.043 30.626 31.823 -0.256 0.000 0.656 180 V HN 0.046 nan 8.190 nan 0.000 0.451 181 R N 0.355 120.375 120.500 -0.800 0.000 2.083 181 R HA -0.210 4.130 4.340 0.000 0.000 0.237 181 R C 2.286 178.317 176.300 -0.447 0.000 1.137 181 R CA 1.900 57.421 56.100 -0.964 0.000 0.951 181 R CB -0.503 29.425 30.300 -0.620 0.000 0.851 181 R HN 0.479 nan 8.270 nan 0.000 0.434 182 A N 0.163 122.803 122.820 -0.299 0.000 1.841 182 A HA -0.170 4.150 4.320 0.000 0.000 0.216 182 A C 2.257 179.779 177.584 -0.103 0.000 1.199 182 A CA 2.241 54.182 52.037 -0.159 0.000 0.621 182 A CB -1.251 17.684 19.000 -0.108 0.000 0.835 182 A HN 0.495 nan 8.150 nan 0.000 0.445 183 T N -0.644 113.862 114.554 -0.079 0.000 2.720 183 T HA -0.179 4.171 4.350 0.000 0.000 0.268 183 T C 2.110 176.865 174.700 0.091 0.000 1.037 183 T CA 1.851 63.992 62.100 0.068 0.000 1.144 183 T CB -0.257 68.619 68.868 0.013 0.000 0.864 183 T HN 0.438 nan 8.240 nan 0.000 0.444 184 R N 1.290 121.749 120.500 -0.068 0.000 2.092 184 R HA -0.007 4.333 4.340 0.000 0.000 0.231 184 R C 2.144 178.440 176.300 -0.007 0.000 1.119 184 R CA 1.517 57.602 56.100 -0.025 0.000 0.970 184 R CB -0.430 29.823 30.300 -0.078 0.000 0.864 184 R HN 0.518 nan 8.270 nan 0.000 0.440 185 E N -0.532 119.628 120.200 -0.066 0.000 2.028 185 E HA -0.096 4.254 4.350 0.000 0.000 0.191 185 E C 1.954 178.479 176.600 -0.126 0.000 0.988 185 E CA 1.257 57.618 56.400 -0.064 0.000 0.799 185 E CB -0.280 29.380 29.700 -0.066 0.000 0.755 185 E HN 0.410 nan 8.360 nan 0.000 0.447 186 A N 0.782 123.481 122.820 -0.201 0.000 1.927 186 A HA -0.172 4.148 4.320 0.000 0.000 0.220 186 A C 0.729 177.863 177.584 -0.749 0.000 1.185 186 A CA 1.369 53.101 52.037 -0.508 0.000 0.639 186 A CB -0.379 18.261 19.000 -0.600 0.000 0.820 186 A HN 0.251 nan 8.150 nan 0.000 0.451 187 F N -1.171 118.761 119.950 -0.031 0.000 2.809 187 F HA 0.327 4.854 4.527 0.000 0.000 0.369 187 F C -1.908 173.879 175.800 -0.021 0.000 1.225 187 F CA -1.732 56.254 58.000 -0.023 0.000 1.201 187 F CB 1.634 40.619 39.000 -0.025 0.000 1.527 187 F HN 0.022 nan 8.300 nan 0.000 0.565 188 P HA -0.027 nan 4.420 nan 0.000 0.236 188 P C 0.311 177.652 177.300 0.069 0.000 1.177 188 P CA 1.071 64.213 63.100 0.070 0.000 0.773 188 P CB 0.607 32.328 31.700 0.036 0.000 0.878 189 D N -0.098 120.353 120.400 0.084 0.000 2.417 189 D HA 0.113 4.753 4.640 0.000 0.000 0.207 189 D C 1.305 177.632 176.300 0.046 0.000 1.075 189 D CA -0.089 53.945 54.000 0.057 0.000 0.851 189 D CB 0.435 41.266 40.800 0.052 0.000 0.976 189 D HN 0.310 nan 8.370 nan 0.000 0.505 190 I N -0.986 119.620 120.570 0.061 0.000 2.938 190 I HA 0.150 4.320 4.170 0.000 0.000 0.285 190 I C 0.474 176.573 176.117 -0.031 0.000 1.182 190 I CA -0.539 60.762 61.300 0.002 0.000 1.388 190 I CB 0.935 38.903 38.000 -0.052 0.000 1.390 190 I HN -0.367 nan 8.210 nan 0.000 0.600 191 R N 4.320 124.783 120.500 -0.061 0.000 2.267 191 R HA 0.509 4.849 4.340 0.000 0.000 0.319 191 R C -1.386 174.824 176.300 -0.149 0.000 1.067 191 R CA -0.602 55.442 56.100 -0.095 0.000 0.936 191 R CB 0.797 31.044 30.300 -0.089 0.000 1.006 191 R HN 0.691 nan 8.270 nan 0.000 0.452 192 L N 3.763 124.883 121.223 -0.171 0.000 2.408 192 L HA 0.534 4.874 4.340 0.000 0.000 0.268 192 L C -0.854 175.845 176.870 -0.286 0.000 0.986 192 L CA -0.071 54.651 54.840 -0.198 0.000 0.820 192 L CB 2.355 44.338 42.059 -0.126 0.000 1.303 192 L HN 0.836 nan 8.230 nan 0.000 0.411 193 T N 1.465 115.817 114.554 -0.335 0.000 2.812 193 T HA 0.838 5.188 4.350 0.000 0.000 0.294 193 T C -0.840 173.715 174.700 -0.241 0.000 1.159 193 T CA -0.190 61.646 62.100 -0.440 0.000 1.008 193 T CB 1.411 69.736 68.868 -0.906 0.000 1.289 193 T HN 1.050 nan 8.240 nan 0.000 0.514 194 V N -1.270 118.554 119.914 -0.150 0.000 2.876 194 V HA 0.796 4.916 4.120 0.000 0.000 0.312 194 V C -1.443 174.699 176.094 0.081 0.000 1.085 194 V CA -0.874 61.407 62.300 -0.031 0.000 0.945 194 V CB 1.926 33.736 31.823 -0.022 0.000 1.017 194 V HN 1.001 nan 8.190 nan 0.000 0.428 195 D N 2.736 123.203 120.400 0.112 0.000 2.454 195 D HA 0.650 5.290 4.640 0.000 0.000 0.225 195 D C 0.738 177.149 176.300 0.185 0.000 1.081 195 D CA 0.144 54.252 54.000 0.181 0.000 0.864 195 D CB 1.681 42.588 40.800 0.179 0.000 1.040 195 D HN 0.913 nan 8.370 nan 0.000 0.517 196 A N 4.080 127.021 122.820 0.203 0.000 2.238 196 A HA -0.018 4.302 4.320 0.000 0.000 0.208 196 A C 1.276 179.062 177.584 0.336 0.000 1.177 196 A CA 0.289 52.491 52.037 0.276 0.000 0.804 196 A CB -0.531 18.546 19.000 0.128 0.000 0.823 196 A HN 0.704 nan 8.150 nan 0.000 0.482 197 N N -0.932 117.922 118.700 0.256 0.000 2.708 197 N HA -0.232 4.508 4.740 0.000 0.000 0.249 197 N C 0.202 175.842 175.510 0.216 0.000 1.097 197 N CA 1.121 54.303 53.050 0.221 0.000 0.710 197 N CB -1.974 36.623 38.487 0.184 0.000 1.032 197 N HN 0.440 nan 8.380 nan 0.000 0.551 198 S N -3.223 112.630 115.700 0.255 0.000 3.533 198 S HA -0.252 4.218 4.470 0.000 0.000 0.347 198 S C 0.896 175.603 174.600 0.178 0.000 1.101 198 S CA 1.041 59.381 58.200 0.234 0.000 1.009 198 S CB -1.764 61.572 63.200 0.227 0.000 0.916 198 S HN 0.941 nan 8.310 nan 0.000 0.496 199 A N -1.071 121.857 122.820 0.180 0.000 2.379 199 A HA 0.543 4.863 4.320 0.000 0.000 0.236 199 A C 0.126 177.523 177.584 -0.311 0.000 1.272 199 A CA 0.237 52.228 52.037 -0.076 0.000 0.886 199 A CB 0.107 18.999 19.000 -0.180 0.000 0.962 199 A HN 0.540 nan 8.150 nan 0.000 0.504 200 Y N -1.142 119.185 120.300 0.045 0.000 2.605 200 Y HA 0.581 5.131 4.550 0.000 0.000 0.343 200 Y C 0.609 176.506 175.900 -0.006 0.000 1.036 200 Y CA -0.461 57.652 58.100 0.022 0.000 1.065 200 Y CB 1.883 40.356 38.460 0.021 0.000 1.288 200 Y HN 0.123 nan 8.280 nan 0.000 0.481 201 T N -2.378 112.264 114.554 0.146 0.000 2.887 201 T HA 0.389 4.739 4.350 0.000 0.000 0.292 201 T C 0.570 175.297 174.700 0.045 0.000 1.087 201 T CA -0.942 61.191 62.100 0.054 0.000 1.009 201 T CB 0.998 69.883 68.868 0.027 0.000 1.203 201 T HN 0.638 nan 8.240 nan 0.000 0.518 202 L N 0.546 121.767 121.223 -0.004 0.000 2.197 202 L HA -0.133 4.207 4.340 0.000 0.000 0.215 202 L C 2.934 179.812 176.870 0.013 0.000 1.095 202 L CA 1.671 56.504 54.840 -0.011 0.000 0.764 202 L CB -0.723 41.321 42.059 -0.025 0.000 0.897 202 L HN 0.971 nan 8.230 nan 0.000 0.436 203 A N -1.188 121.648 122.820 0.026 0.000 2.172 203 A HA -0.170 4.150 4.320 0.000 0.000 0.216 203 A C 1.561 179.178 177.584 0.054 0.000 1.154 203 A CA 1.352 53.408 52.037 0.032 0.000 0.701 203 A CB -0.288 18.729 19.000 0.028 0.000 0.789 203 A HN 0.372 nan 8.150 nan 0.000 0.465 204 D N -0.490 119.962 120.400 0.085 0.000 2.340 204 D HA 0.306 4.946 4.640 0.000 0.000 0.217 204 D C 1.812 178.153 176.300 0.069 0.000 1.081 204 D CA 0.724 54.804 54.000 0.132 0.000 0.842 204 D CB 0.304 41.295 40.800 0.318 0.000 0.934 204 D HN 0.415 nan 8.370 nan 0.000 0.511 205 A N 0.938 123.775 122.820 0.028 0.000 1.908 205 A HA -0.111 4.209 4.320 0.000 0.000 0.218 205 A C 2.303 179.884 177.584 -0.004 0.000 1.181 205 A CA 2.012 54.047 52.037 -0.003 0.000 0.627 205 A CB -0.859 18.137 19.000 -0.006 0.000 0.818 205 A HN 0.311 nan 8.150 nan 0.000 0.445 206 G N -0.692 108.115 108.800 0.012 0.000 2.402 206 G HA2 -0.205 3.755 3.960 0.000 0.000 0.216 206 G HA3 -0.205 3.755 3.960 0.000 0.000 0.216 206 G C 1.691 176.599 174.900 0.013 0.000 1.162 206 G CA 1.193 46.299 45.100 0.010 0.000 0.777 206 G HN 0.525 nan 8.290 nan 0.000 0.539 207 R N 0.635 121.155 120.500 0.033 0.000 2.070 207 R HA 0.095 4.435 4.340 0.000 0.000 0.233 207 R C 2.531 178.837 176.300 0.010 0.000 1.137 207 R CA 1.202 57.330 56.100 0.046 0.000 0.945 207 R CB -1.052 29.310 30.300 0.103 0.000 0.845 207 R HN 0.364 nan 8.270 nan 0.000 0.430 208 L N 0.191 121.394 121.223 -0.034 0.000 2.187 208 L HA -0.134 4.206 4.340 0.000 0.000 0.213 208 L C 2.723 179.557 176.870 -0.060 0.000 1.100 208 L CA 1.647 56.423 54.840 -0.107 0.000 0.765 208 L CB -0.410 41.533 42.059 -0.193 0.000 0.904 208 L HN 0.272 nan 8.230 nan 0.000 0.437 209 R N 0.078 120.555 120.500 -0.037 0.000 2.148 209 R HA -0.167 4.173 4.340 0.000 0.000 0.227 209 R C 2.200 178.477 176.300 -0.038 0.000 1.103 209 R CA 1.015 57.094 56.100 -0.035 0.000 0.983 209 R CB -0.015 30.269 30.300 -0.027 0.000 0.874 209 R HN 0.401 nan 8.270 nan 0.000 0.451 210 Q N 0.081 119.869 119.800 -0.020 0.000 2.297 210 Q HA -0.115 4.225 4.340 0.000 0.000 0.208 210 Q C 1.729 177.726 176.000 -0.005 0.000 0.981 210 Q CA 1.032 56.827 55.803 -0.013 0.000 0.876 210 Q CB 0.058 28.813 28.738 0.028 0.000 0.921 210 Q HN 0.412 nan 8.270 nan 0.000 0.446 211 L N 0.088 121.320 121.223 0.016 0.000 2.478 211 L HA -0.118 4.222 4.340 0.000 0.000 0.223 211 L C 1.226 178.089 176.870 -0.013 0.000 1.140 211 L CA 0.229 55.117 54.840 0.079 0.000 0.842 211 L CB -0.183 41.897 42.059 0.036 0.000 0.953 211 L HN 0.135 nan 8.230 nan 0.000 0.452 212 D N 0.851 121.199 120.400 -0.086 0.000 2.144 212 D HA -0.208 4.432 4.640 0.000 0.000 0.199 212 D C 2.010 178.199 176.300 -0.185 0.000 0.984 212 D CA 1.346 55.284 54.000 -0.103 0.000 0.834 212 D CB 0.009 40.757 40.800 -0.087 0.000 0.955 212 D HN 0.551 nan 8.370 nan 0.000 0.465 213 E N -0.360 119.614 120.200 -0.376 0.000 2.204 213 E HA -0.204 4.146 4.350 0.000 0.000 0.195 213 E C 0.926 177.240 176.600 -0.477 0.000 0.990 213 E CA 0.814 56.912 56.400 -0.504 0.000 0.821 213 E CB -0.478 28.801 29.700 -0.702 0.000 0.750 213 E HN 0.379 nan 8.360 nan 0.000 0.477 214 Y N 1.531 121.808 120.300 -0.039 0.000 2.471 214 Y HA 0.099 4.649 4.550 0.000 0.000 0.286 214 Y C -0.166 175.707 175.900 -0.045 0.000 1.188 214 Y CA -0.457 57.618 58.100 -0.042 0.000 1.286 214 Y CB -0.278 38.150 38.460 -0.053 0.000 1.072 214 Y HN -0.079 nan 8.280 nan 0.000 0.517 215 D N 0.707 121.125 120.400 0.030 0.000 2.704 215 D HA -0.220 4.420 4.640 0.000 0.000 0.232 215 D C -0.346 175.951 176.300 -0.004 0.000 1.183 215 D CA 0.586 54.590 54.000 0.006 0.000 0.647 215 D CB -1.123 39.680 40.800 0.006 0.000 1.013 215 D HN 0.356 nan 8.370 nan 0.000 0.415 216 L N 0.082 121.297 121.223 -0.013 0.000 2.456 216 L HA 0.040 4.380 4.340 0.000 0.000 0.272 216 L C 2.195 179.004 176.870 -0.101 0.000 1.189 216 L CA -0.134 54.656 54.840 -0.083 0.000 0.846 216 L CB 0.372 42.377 42.059 -0.089 0.000 1.111 216 L HN -0.049 nan 8.230 nan 0.000 0.475 217 T N 0.867 115.303 114.554 -0.196 0.000 2.867 217 T HA -0.058 4.292 4.350 0.000 0.000 0.268 217 T C -0.376 174.328 174.700 0.006 0.000 1.057 217 T CA 1.376 63.399 62.100 -0.128 0.000 1.136 217 T CB -0.208 68.538 68.868 -0.204 0.000 0.874 217 T HN 0.627 nan 8.240 nan 0.000 0.466 218 Y N -2.165 118.131 120.300 -0.007 0.000 2.732 218 Y HA 0.595 5.146 4.550 0.000 0.000 0.342 218 Y C -1.933 173.980 175.900 0.022 0.000 1.203 218 Y CA -2.158 55.956 58.100 0.023 0.000 1.092 218 Y CB 0.525 39.028 38.460 0.071 0.000 1.345 218 Y HN -0.149 nan 8.280 nan 0.000 0.458 219 I N 2.147 122.879 120.570 0.269 0.000 2.355 219 I HA 0.295 4.465 4.170 0.000 0.000 0.288 219 I C -0.522 175.762 176.117 0.280 0.000 0.999 219 I CA -0.602 60.809 61.300 0.185 0.000 1.163 219 I CB 1.744 39.781 38.000 0.062 0.000 1.316 219 I HN 0.672 nan 8.210 nan 0.000 0.454 220 E N 5.914 126.310 120.200 0.325 0.000 2.194 220 E HA 0.102 4.452 4.350 0.000 0.000 0.284 220 E C -0.223 176.513 176.600 0.228 0.000 1.035 220 E CA -0.535 56.047 56.400 0.303 0.000 0.836 220 E CB 0.693 30.633 29.700 0.400 0.000 1.070 220 E HN 0.455 nan 8.360 nan 0.000 0.401 221 Q N 3.608 123.517 119.800 0.183 0.000 2.437 221 Q HA -0.171 4.169 4.340 0.000 0.000 0.354 221 Q C -2.009 174.186 176.000 0.326 0.000 1.402 221 Q CA 0.607 56.547 55.803 0.229 0.000 1.020 221 Q CB -0.245 28.598 28.738 0.175 0.000 1.220 221 Q HN 0.500 nan 8.270 nan 0.000 0.368 222 P HA -0.130 nan 4.420 nan 0.000 0.217 222 P C 0.350 177.776 177.300 0.210 0.000 1.151 222 P CA 1.156 64.385 63.100 0.216 0.000 0.828 222 P CB 0.257 31.977 31.700 0.033 0.000 0.788 223 L N -1.246 120.017 121.223 0.066 0.000 2.805 223 L HA 0.599 4.939 4.340 0.000 0.000 0.242 223 L C 0.875 177.820 176.870 0.125 0.000 1.180 223 L CA -1.589 53.194 54.840 -0.094 0.000 1.001 223 L CB -0.610 41.122 42.059 -0.545 0.000 1.864 223 L HN -0.240 nan 8.230 nan 0.000 0.551 224 A N 0.487 123.335 122.820 0.047 0.000 2.540 224 A HA -0.059 4.261 4.320 0.000 0.000 0.239 224 A C 0.925 178.555 177.584 0.078 0.000 1.061 224 A CA -0.081 51.986 52.037 0.049 0.000 0.758 224 A CB -0.240 18.704 19.000 -0.094 0.000 0.991 224 A HN 0.878 nan 8.150 nan 0.000 0.502 225 W N 2.599 123.930 121.300 0.052 0.000 2.364 225 W HA -0.168 4.492 4.660 -0.000 0.000 0.281 225 W C -0.025 176.479 176.519 -0.026 0.000 1.219 225 W CA 1.377 58.718 57.345 -0.007 0.000 1.220 225 W CB -0.515 28.893 29.460 -0.087 0.000 1.127 225 W HN 0.764 nan 8.180 nan 0.000 0.556 226 D N -0.322 119.513 120.400 -0.942 0.000 2.402 226 D HA 0.010 4.650 4.640 0.000 0.000 0.216 226 D C -0.087 175.953 176.300 -0.433 0.000 1.128 226 D CA -0.143 53.282 54.000 -0.958 0.000 0.833 226 D CB -0.634 39.108 40.800 -1.764 0.000 0.971 226 D HN 0.127 nan 8.370 nan 0.000 0.503 227 D N 0.542 120.812 120.400 -0.218 0.000 2.181 227 D HA 0.225 4.865 4.640 0.000 0.000 0.248 227 D C 0.507 176.839 176.300 0.052 0.000 1.020 227 D CA -0.551 53.413 54.000 -0.059 0.000 0.891 227 D CB 2.107 42.913 40.800 0.010 0.000 1.187 227 D HN 0.005 nan 8.370 nan 0.000 0.443 228 L N 2.423 123.657 121.223 0.018 0.000 2.694 228 L HA 0.052 4.392 4.340 0.000 0.000 0.228 228 L C 2.272 179.174 176.870 0.054 0.000 1.048 228 L CA -0.102 54.750 54.840 0.020 0.000 0.887 228 L CB 0.076 42.103 42.059 -0.053 0.000 1.265 228 L HN 0.281 nan 8.230 nan 0.000 0.492 229 V N 0.538 120.461 119.914 0.015 0.000 2.295 229 V HA -0.260 3.860 4.120 0.000 0.000 0.246 229 V C 1.959 178.056 176.094 0.004 0.000 1.049 229 V CA 2.103 64.403 62.300 0.000 0.000 1.024 229 V CB -0.385 31.427 31.823 -0.019 0.000 0.648 229 V HN 0.393 nan 8.190 nan 0.000 0.447 230 D N -1.363 119.028 120.400 -0.014 0.000 2.178 230 D HA -0.130 4.510 4.640 0.000 0.000 0.202 230 D C 2.116 178.373 176.300 -0.072 0.000 0.974 230 D CA 1.067 55.030 54.000 -0.062 0.000 0.841 230 D CB -0.345 40.386 40.800 -0.116 0.000 0.953 230 D HN 0.516 nan 8.370 nan 0.000 0.478 231 H N 0.504 119.556 119.070 -0.030 0.000 2.353 231 H HA -0.007 4.549 4.556 0.000 0.000 0.300 231 H C 2.068 177.380 175.328 -0.028 0.000 1.090 231 H CA 1.359 57.391 56.048 -0.026 0.000 1.327 231 H CB -0.046 29.696 29.762 -0.032 0.000 1.383 231 H HN 0.102 nan 8.280 nan 0.000 0.508 232 A N 1.116 123.991 122.820 0.093 0.000 1.940 232 A HA -0.228 4.092 4.320 0.000 0.000 0.219 232 A C 2.370 179.963 177.584 0.016 0.000 1.176 232 A CA 2.004 54.061 52.037 0.034 0.000 0.631 232 A CB -0.302 18.704 19.000 0.011 0.000 0.814 232 A HN 0.386 nan 8.150 nan 0.000 0.446 233 E N -0.149 120.054 120.200 0.005 0.000 2.047 233 E HA -0.146 4.204 4.350 0.000 0.000 0.191 233 E C 1.803 178.398 176.600 -0.009 0.000 0.987 233 E CA 1.309 57.705 56.400 -0.007 0.000 0.799 233 E CB -0.512 29.178 29.700 -0.016 0.000 0.752 233 E HN 0.399 nan 8.360 nan 0.000 0.449 234 L N 0.491 121.703 121.223 -0.018 0.000 2.079 234 L HA -0.078 4.262 4.340 0.000 0.000 0.210 234 L C 2.236 179.106 176.870 -0.001 0.000 1.081 234 L CA 2.301 57.129 54.840 -0.020 0.000 0.752 234 L CB -0.944 41.086 42.059 -0.047 0.000 0.896 234 L HN 0.214 nan 8.230 nan 0.000 0.433 235 A N -0.426 122.404 122.820 0.017 0.000 1.978 235 A HA -0.236 4.084 4.320 0.000 0.000 0.220 235 A C 2.381 179.970 177.584 0.008 0.000 1.170 235 A CA 1.847 53.896 52.037 0.019 0.000 0.636 235 A CB -0.598 18.418 19.000 0.026 0.000 0.810 235 A HN 0.558 nan 8.150 nan 0.000 0.448 236 R N -0.891 119.611 120.500 0.004 0.000 2.189 236 R HA 0.001 4.341 4.340 0.000 0.000 0.218 236 R C 1.893 178.192 176.300 -0.003 0.000 1.074 236 R CA 1.020 57.121 56.100 0.001 0.000 0.991 236 R CB -0.089 30.211 30.300 -0.000 0.000 0.883 236 R HN 0.497 nan 8.270 nan 0.000 0.457 237 R N 0.414 120.911 120.500 -0.005 0.000 2.265 237 R HA 0.202 4.543 4.340 0.000 0.000 0.194 237 R C 1.116 177.409 176.300 -0.012 0.000 0.931 237 R CA 0.382 56.477 56.100 -0.009 0.000 1.032 237 R CB 0.279 30.572 30.300 -0.010 0.000 0.980 237 R HN 0.225 nan 8.270 nan 0.000 0.497 238 I N -2.667 117.896 120.570 -0.011 0.000 2.846 238 I HA 0.427 4.597 4.170 0.000 0.000 0.307 238 I C 0.623 176.734 176.117 -0.010 0.000 1.053 238 I CA -1.088 60.203 61.300 -0.015 0.000 1.050 238 I CB 2.260 40.248 38.000 -0.021 0.000 1.239 238 I HN -0.321 nan 8.210 nan 0.000 0.439 239 R N 1.232 121.722 120.500 -0.015 0.000 2.173 239 R HA 0.143 4.483 4.340 0.000 0.000 0.208 239 R C 0.295 176.594 176.300 -0.001 0.000 1.035 239 R CA 0.446 56.539 56.100 -0.011 0.000 1.004 239 R CB -0.450 29.837 30.300 -0.021 0.000 0.917 239 R HN 0.712 nan 8.270 nan 0.000 0.462 240 T N 4.312 118.865 114.554 -0.002 0.000 2.902 240 T HA 0.126 4.476 4.350 0.000 0.000 0.301 240 T C -2.350 172.375 174.700 0.041 0.000 1.012 240 T CA -0.840 61.269 62.100 0.015 0.000 1.151 240 T CB 0.984 69.856 68.868 0.007 0.000 0.946 240 T HN -0.010 nan 8.240 nan 0.000 0.542 241 P HA 0.153 nan 4.420 nan 0.000 0.267 241 P C -0.423 176.952 177.300 0.125 0.000 1.200 241 P CA -0.215 62.939 63.100 0.089 0.000 0.772 241 P CB 0.428 32.196 31.700 0.113 0.000 0.855 242 L N 2.421 123.699 121.223 0.091 0.000 2.312 242 L HA 0.407 4.747 4.340 0.000 0.000 0.281 242 L C 0.359 177.262 176.870 0.056 0.000 1.070 242 L CA -0.597 54.303 54.840 0.100 0.000 0.805 242 L CB 1.242 43.357 42.059 0.093 0.000 1.174 242 L HN 0.442 nan 8.230 nan 0.000 0.434 243 C N 5.194 124.532 119.300 0.064 0.000 2.351 243 C HA 0.626 5.086 4.460 0.000 0.000 0.326 243 C C -0.040 174.898 174.990 -0.087 0.000 1.272 243 C CA -0.696 58.279 59.018 -0.072 0.000 1.650 243 C CB 0.136 27.746 27.740 -0.217 0.000 2.257 243 C HN 0.690 nan 8.230 nan 0.000 0.505 244 L N 5.591 126.709 121.223 -0.175 0.000 2.325 244 L HA 0.478 4.818 4.340 0.000 0.000 0.279 244 L C 0.473 177.236 176.870 -0.179 0.000 1.054 244 L CA -0.077 54.641 54.840 -0.202 0.000 0.804 244 L CB 1.294 43.201 42.059 -0.253 0.000 1.200 244 L HN 0.757 nan 8.230 nan 0.000 0.436 245 D N 0.618 120.958 120.400 -0.100 0.000 3.040 245 D HA -0.016 4.625 4.640 0.000 0.000 0.221 245 D C 1.409 177.718 176.300 0.015 0.000 1.515 245 D CA 0.315 54.288 54.000 -0.045 0.000 1.379 245 D CB 0.268 41.109 40.800 0.068 0.000 0.992 245 D HN 0.518 nan 8.370 nan 0.000 0.234 246 E N 0.218 120.462 120.200 0.074 0.000 2.160 246 E HA -0.104 4.246 4.350 0.000 0.000 0.195 246 E C 1.829 178.481 176.600 0.086 0.000 0.991 246 E CA 1.605 58.046 56.400 0.068 0.000 0.810 246 E CB -0.120 29.615 29.700 0.058 0.000 0.742 246 E HN 0.307 nan 8.360 nan 0.000 0.466 247 S N -0.710 114.993 115.700 0.004 0.000 2.593 247 S HA 0.080 4.550 4.470 0.000 0.000 0.217 247 S C 0.592 175.153 174.600 -0.065 0.000 0.966 247 S CA -0.294 57.875 58.200 -0.052 0.000 0.914 247 S CB 0.385 63.507 63.200 -0.130 0.000 0.776 247 S HN -0.057 nan 8.310 nan 0.000 0.523 248 V N 2.072 121.952 119.914 -0.058 0.000 2.275 248 V HA 0.679 4.799 4.120 0.000 0.000 0.272 248 V C 0.609 176.688 176.094 -0.024 0.000 1.028 248 V CA -0.099 62.163 62.300 -0.063 0.000 0.810 248 V CB 0.414 32.172 31.823 -0.107 0.000 1.043 248 V HN 0.457 nan 8.190 nan 0.000 0.453 249 A N 3.710 126.530 122.820 -0.001 0.000 2.465 249 A HA 0.662 4.982 4.320 0.000 0.000 0.255 249 A C 0.688 178.281 177.584 0.016 0.000 1.274 249 A CA 0.500 52.551 52.037 0.023 0.000 0.920 249 A CB 0.148 19.179 19.000 0.053 0.000 1.033 249 A HN 0.942 nan 8.150 nan 0.000 0.516 250 S N -3.331 112.369 115.700 0.000 0.000 2.587 250 S HA 0.590 5.060 4.470 0.000 0.000 0.269 250 S C 0.741 175.341 174.600 -0.001 0.000 1.154 250 S CA 0.085 58.289 58.200 0.007 0.000 0.824 250 S CB 0.819 64.027 63.200 0.013 0.000 1.118 250 S HN 1.051 nan 8.310 nan 0.000 0.462 251 A N 1.817 124.646 122.820 0.014 0.000 1.933 251 A HA -0.003 4.317 4.320 0.000 0.000 0.218 251 A C 2.385 179.979 177.584 0.016 0.000 1.175 251 A CA 2.482 54.531 52.037 0.020 0.000 0.628 251 A CB -1.613 17.412 19.000 0.040 0.000 0.814 251 A HN 1.743 nan 8.150 nan 0.000 0.444 252 S N 0.217 115.926 115.700 0.016 0.000 2.383 252 S HA -0.189 4.281 4.470 0.000 0.000 0.227 252 S C 1.426 176.020 174.600 -0.011 0.000 1.026 252 S CA 1.455 59.663 58.200 0.012 0.000 0.981 252 S CB -0.550 62.658 63.200 0.014 0.000 0.818 252 S HN 0.495 nan 8.310 nan 0.000 0.472 253 D N 2.594 122.980 120.400 -0.023 0.000 2.123 253 D HA 0.013 4.653 4.640 0.000 0.000 0.196 253 D C 2.309 178.561 176.300 -0.080 0.000 0.992 253 D CA 1.554 55.525 54.000 -0.048 0.000 0.833 253 D CB -0.789 39.983 40.800 -0.046 0.000 0.954 253 D HN 0.570 nan 8.370 nan 0.000 0.455 254 A N 1.147 123.920 122.820 -0.079 0.000 1.902 254 A HA -0.198 4.122 4.320 0.000 0.000 0.217 254 A C 2.178 179.656 177.584 -0.177 0.000 1.181 254 A CA 1.494 53.456 52.037 -0.126 0.000 0.623 254 A CB -0.435 18.510 19.000 -0.092 0.000 0.818 254 A HN 0.050 nan 8.150 nan 0.000 0.443 255 R N 0.488 120.943 120.500 -0.075 0.000 2.083 255 R HA -0.167 4.173 4.340 0.000 0.000 0.237 255 R C 1.867 178.100 176.300 -0.112 0.000 1.137 255 R CA 2.246 58.334 56.100 -0.019 0.000 0.951 255 R CB -0.460 29.911 30.300 0.118 0.000 0.851 255 R HN 0.605 nan 8.270 nan 0.000 0.434 256 K N -0.122 120.231 120.400 -0.078 0.000 2.097 256 K HA -0.011 4.309 4.320 0.000 0.000 0.205 256 K C 2.203 178.726 176.600 -0.129 0.000 1.050 256 K CA 1.235 57.480 56.287 -0.071 0.000 0.938 256 K CB -0.175 32.297 32.500 -0.046 0.000 0.718 256 K HN 0.222 nan 8.250 nan 0.000 0.442 257 A N 1.491 124.208 122.820 -0.171 0.000 1.902 257 A HA -0.136 4.184 4.320 0.000 0.000 0.217 257 A C 2.114 179.536 177.584 -0.270 0.000 1.181 257 A CA 1.351 53.272 52.037 -0.193 0.000 0.623 257 A CB -0.590 18.290 19.000 -0.199 0.000 0.818 257 A HN 0.151 nan 8.150 nan 0.000 0.443 258 L N -1.231 119.709 121.223 -0.471 0.000 2.131 258 L HA -0.046 4.294 4.340 0.000 0.000 0.206 258 L C 3.045 179.568 176.870 -0.578 0.000 1.087 258 L CA 0.796 55.201 54.840 -0.724 0.000 0.767 258 L CB -0.518 40.677 42.059 -1.440 0.000 0.917 258 L HN 0.407 nan 8.230 nan 0.000 0.441 259 A N 0.201 122.766 122.820 -0.425 0.000 1.933 259 A HA -0.145 4.175 4.320 0.000 0.000 0.218 259 A C 2.225 179.802 177.584 -0.012 0.000 1.175 259 A CA 1.338 53.380 52.037 0.009 0.000 0.628 259 A CB -0.613 18.467 19.000 0.133 0.000 0.814 259 A HN 0.361 nan 8.150 nan 0.000 0.444 260 L N -1.417 119.767 121.223 -0.066 0.000 2.291 260 L HA 0.063 4.403 4.340 0.000 0.000 0.214 260 L C 1.735 178.584 176.870 -0.035 0.000 1.120 260 L CA 0.714 55.531 54.840 -0.038 0.000 0.799 260 L CB -0.319 41.712 42.059 -0.046 0.000 0.925 260 L HN 0.617 nan 8.230 nan 0.000 0.446 261 G N -0.774 107.987 108.800 -0.065 0.000 2.160 261 G HA2 -0.303 3.657 3.960 0.000 0.000 0.244 261 G HA3 -0.303 3.657 3.960 0.000 0.000 0.244 261 G C 0.905 175.780 174.900 -0.041 0.000 1.022 261 G CA 0.371 45.442 45.100 -0.048 0.000 0.741 261 G HN 0.430 nan 8.290 nan 0.000 0.508 262 A N -0.972 121.809 122.820 -0.064 0.000 2.015 262 A HA 0.571 4.891 4.320 0.000 0.000 0.219 262 A C 1.673 179.228 177.584 -0.048 0.000 1.163 262 A CA 1.965 53.981 52.037 -0.034 0.000 0.646 262 A CB 0.102 19.063 19.000 -0.065 0.000 0.806 262 A HN 2.167 nan 8.150 nan 0.000 0.448 263 G N -4.068 104.678 108.800 -0.089 0.000 2.608 263 G HA2 0.456 4.416 3.960 0.000 0.000 0.291 263 G HA3 0.456 4.416 3.960 0.000 0.000 0.291 263 G C 0.216 175.067 174.900 -0.081 0.000 1.425 263 G CA 0.234 45.288 45.100 -0.077 0.000 0.787 263 G HN 0.616 nan 8.290 nan 0.000 0.484 264 G N -1.442 107.329 108.800 -0.048 0.000 3.228 264 G HA2 0.465 4.425 3.960 0.000 0.000 0.245 264 G HA3 0.465 4.425 3.960 0.000 0.000 0.245 264 G C -0.288 174.585 174.900 -0.046 0.000 1.051 264 G CA 0.339 45.418 45.100 -0.035 0.000 0.809 264 G HN 0.879 nan 8.290 nan 0.000 0.531 265 V N 0.814 120.680 119.914 -0.081 0.000 2.888 265 V HA 0.527 4.647 4.120 0.000 0.000 0.309 265 V C -1.102 174.869 176.094 -0.205 0.000 1.114 265 V CA -0.792 61.440 62.300 -0.115 0.000 0.940 265 V CB 2.418 34.170 31.823 -0.117 0.000 1.021 265 V HN 0.086 nan 8.190 nan 0.000 0.426 266 I N 2.812 123.219 120.570 -0.271 0.000 2.436 266 I HA 0.376 4.546 4.170 0.000 0.000 0.289 266 I C 0.168 175.895 176.117 -0.650 0.000 1.010 266 I CA -0.260 60.819 61.300 -0.367 0.000 1.098 266 I CB 1.673 39.494 38.000 -0.300 0.000 1.266 266 I HN 0.734 nan 8.210 nan 0.000 0.434 267 N N 6.575 124.806 118.700 -0.781 0.000 2.399 267 N HA 0.156 4.896 4.740 0.000 0.000 0.259 267 N C -0.994 174.132 175.510 -0.638 0.000 1.160 267 N CA -0.637 51.680 53.050 -1.222 0.000 0.946 267 N CB 0.631 38.432 38.487 -1.143 0.000 1.156 267 N HN 0.343 nan 8.380 nan 0.000 0.489 268 L N 4.343 125.250 121.223 -0.526 0.000 2.268 268 L HA 0.334 4.674 4.340 0.000 0.000 0.289 268 L C -0.673 176.135 176.870 -0.103 0.000 1.064 268 L CA -0.208 54.498 54.840 -0.224 0.000 0.824 268 L CB 0.366 42.334 42.059 -0.151 0.000 1.202 268 L HN 0.430 nan 8.230 nan 0.000 0.433 269 K N 4.222 124.569 120.400 -0.088 0.000 2.263 269 K HA 0.213 4.533 4.320 0.000 0.000 0.272 269 K C 0.825 177.409 176.600 -0.027 0.000 1.033 269 K CA -0.386 55.874 56.287 -0.046 0.000 0.884 269 K CB 2.229 34.696 32.500 -0.056 0.000 1.107 269 K HN 0.532 nan 8.250 nan 0.000 0.460 270 V N 3.331 123.226 119.914 -0.032 0.000 2.332 270 V HA -0.296 3.824 4.120 0.000 0.000 0.248 270 V C 1.756 177.787 176.094 -0.106 0.000 1.055 270 V CA 2.776 65.026 62.300 -0.083 0.000 1.038 270 V CB -0.160 31.557 31.823 -0.177 0.000 0.651 270 V HN 0.935 nan 8.190 nan 0.000 0.450 271 A N -0.327 122.436 122.820 -0.095 0.000 1.935 271 A HA -0.084 4.236 4.320 0.000 0.000 0.214 271 A C 2.379 179.953 177.584 -0.017 0.000 1.178 271 A CA 1.294 53.285 52.037 -0.076 0.000 0.640 271 A CB -0.670 18.283 19.000 -0.080 0.000 0.825 271 A HN 0.558 nan 8.150 nan 0.000 0.447 272 R N 0.288 120.794 120.500 0.009 0.000 2.133 272 R HA -0.162 4.178 4.340 0.000 0.000 0.247 272 R C 1.722 178.046 176.300 0.039 0.000 1.151 272 R CA 2.194 58.329 56.100 0.058 0.000 0.971 272 R CB -0.362 29.997 30.300 0.098 0.000 0.866 272 R HN 0.543 nan 8.270 nan 0.000 0.447 273 V N -3.573 116.349 119.914 0.013 0.000 3.649 273 V HA 0.383 4.503 4.120 0.000 0.000 0.275 273 V C 0.895 176.997 176.094 0.013 0.000 1.281 273 V CA 0.702 63.010 62.300 0.013 0.000 1.143 273 V CB 0.378 32.205 31.823 0.006 0.000 0.892 273 V HN 0.463 nan 8.190 nan 0.000 0.441 274 G N -1.547 107.254 108.800 0.002 0.000 2.148 274 G HA2 0.329 4.289 3.960 0.000 0.000 0.203 274 G HA3 0.329 4.289 3.960 0.000 0.000 0.203 274 G C 0.927 175.822 174.900 -0.008 0.000 0.993 274 G CA -0.042 45.059 45.100 0.002 0.000 0.661 274 G HN 2.260 nan 8.290 nan 0.000 0.518 275 G N -1.724 107.050 108.800 -0.043 0.000 2.331 275 G HA2 0.201 4.161 3.960 0.000 0.000 0.479 275 G HA3 0.201 4.161 3.960 0.000 0.000 0.479 275 G C 0.226 175.081 174.900 -0.075 0.000 1.262 275 G CA 0.454 45.505 45.100 -0.082 0.000 1.029 275 G HN 0.545 nan 8.290 nan 0.000 0.487 276 H N -0.092 118.992 119.070 0.022 0.000 2.333 276 H HA 0.084 4.640 4.556 0.000 0.000 0.302 276 H C 3.097 178.358 175.328 -0.111 0.000 1.075 276 H CA 2.436 58.382 56.048 -0.170 0.000 1.348 276 H CB -0.508 28.872 29.762 -0.636 0.000 1.393 276 H HN 0.726 nan 8.280 nan 0.000 0.509 277 A N 1.044 123.999 122.820 0.226 0.000 1.877 277 A HA -0.195 4.125 4.320 0.000 0.000 0.216 277 A C 2.378 180.048 177.584 0.144 0.000 1.186 277 A CA 1.914 54.098 52.037 0.244 0.000 0.620 277 A CB -0.357 18.893 19.000 0.417 0.000 0.822 277 A HN 0.366 nan 8.150 nan 0.000 0.443 278 E N 0.182 120.455 120.200 0.123 0.000 2.110 278 E HA -0.104 4.246 4.350 0.000 0.000 0.193 278 E C 2.146 178.788 176.600 0.069 0.000 0.988 278 E CA 1.505 57.953 56.400 0.080 0.000 0.804 278 E CB -0.251 29.483 29.700 0.056 0.000 0.745 278 E HN 0.495 nan 8.360 nan 0.000 0.458 279 S N -0.056 115.683 115.700 0.065 0.000 2.368 279 S HA -0.147 4.323 4.470 0.000 0.000 0.225 279 S C 1.872 176.542 174.600 0.116 0.000 1.030 279 S CA 1.134 59.383 58.200 0.081 0.000 0.999 279 S CB -0.301 62.951 63.200 0.087 0.000 0.844 279 S HN 0.279 nan 8.310 nan 0.000 0.459 280 R N 1.091 121.640 120.500 0.081 0.000 2.091 280 R HA -0.082 4.258 4.340 0.000 0.000 0.238 280 R C 2.363 178.741 176.300 0.130 0.000 1.136 280 R CA 1.333 57.468 56.100 0.059 0.000 0.959 280 R CB -0.105 30.195 30.300 -0.000 0.000 0.856 280 R HN 0.330 nan 8.270 nan 0.000 0.437 281 R N -0.422 120.142 120.500 0.107 0.000 2.075 281 R HA -0.074 4.266 4.340 0.000 0.000 0.232 281 R C 2.346 178.703 176.300 0.095 0.000 1.126 281 R CA 1.457 57.618 56.100 0.101 0.000 0.963 281 R CB -0.396 29.952 30.300 0.081 0.000 0.858 281 R HN 0.068 nan 8.270 nan 0.000 0.435 282 V N 0.628 120.588 119.914 0.078 0.000 2.287 282 V HA -0.319 3.801 4.120 0.000 0.000 0.248 282 V C 2.289 178.403 176.094 0.033 0.000 1.053 282 V CA 2.360 64.683 62.300 0.037 0.000 1.027 282 V CB -0.691 31.134 31.823 0.002 0.000 0.646 282 V HN 0.456 nan 8.190 nan 0.000 0.447 283 H N 0.259 119.300 119.070 -0.048 0.000 2.353 283 H HA -0.202 4.354 4.556 0.000 0.000 0.298 283 H C 1.983 177.293 175.328 -0.031 0.000 1.103 283 H CA 2.243 58.238 56.048 -0.088 0.000 1.293 283 H CB -0.066 29.685 29.762 -0.018 0.000 1.372 283 H HN 0.420 nan 8.280 nan 0.000 0.501 284 D N -0.211 120.300 120.400 0.186 0.000 2.183 284 D HA -0.094 4.546 4.640 0.000 0.000 0.203 284 D C 2.418 178.748 176.300 0.050 0.000 0.969 284 D CA 0.953 55.027 54.000 0.122 0.000 0.842 284 D CB -0.139 40.762 40.800 0.169 0.000 0.957 284 D HN 0.314 nan 8.370 nan 0.000 0.484 285 V N 1.528 121.484 119.914 0.070 0.000 2.307 285 V HA -0.210 3.910 4.120 0.000 0.000 0.245 285 V C 2.564 178.761 176.094 0.172 0.000 1.045 285 V CA 1.746 64.121 62.300 0.125 0.000 1.024 285 V CB -0.759 31.142 31.823 0.130 0.000 0.651 285 V HN 0.165 nan 8.190 nan 0.000 0.449 286 A N -0.512 122.328 122.820 0.034 0.000 1.883 286 A HA -0.359 3.961 4.320 0.000 0.000 0.217 286 A C 2.217 179.806 177.584 0.008 0.000 1.186 286 A CA 2.435 54.464 52.037 -0.014 0.000 0.624 286 A CB -0.653 18.257 19.000 -0.151 0.000 0.822 286 A HN 0.598 nan 8.150 nan 0.000 0.444 287 Q N 0.408 120.153 119.800 -0.091 0.000 2.135 287 Q HA -0.188 4.152 4.340 0.000 0.000 0.204 287 Q C 2.148 178.141 176.000 -0.011 0.000 0.981 287 Q CA 2.528 58.277 55.803 -0.089 0.000 0.856 287 Q CB -0.303 28.338 28.738 -0.162 0.000 0.902 287 Q HN 0.794 nan 8.270 nan 0.000 0.425 288 S N -1.178 114.528 115.700 0.010 0.000 2.442 288 S HA -0.107 4.363 4.470 0.000 0.000 0.236 288 S C 1.309 175.843 174.600 -0.109 0.000 1.007 288 S CA 0.773 58.942 58.200 -0.051 0.000 0.965 288 S CB -0.359 62.790 63.200 -0.085 0.000 0.773 288 S HN 0.453 nan 8.310 nan 0.000 0.504 289 F N 1.780 121.703 119.950 -0.045 0.000 2.727 289 F HA 0.400 4.927 4.527 0.000 0.000 0.302 289 F C 1.835 177.612 175.800 -0.039 0.000 1.097 289 F CA 0.167 58.143 58.000 -0.039 0.000 1.330 289 F CB 0.160 39.133 39.000 -0.045 0.000 1.084 289 F HN 0.391 nan 8.300 nan 0.000 0.578 290 G N 1.022 109.885 108.800 0.104 0.000 2.176 290 G HA2 -0.114 3.846 3.960 0.000 0.000 0.252 290 G HA3 -0.114 3.846 3.960 0.000 0.000 0.252 290 G C 0.018 174.943 174.900 0.042 0.000 1.024 290 G CA 0.056 45.188 45.100 0.052 0.000 0.755 290 G HN 0.639 nan 8.290 nan 0.000 0.507 291 A N 0.523 123.362 122.820 0.032 0.000 2.318 291 A HA 0.907 5.227 4.320 0.000 0.000 0.324 291 A C -1.727 175.817 177.584 -0.066 0.000 1.170 291 A CA -1.479 50.548 52.037 -0.016 0.000 0.810 291 A CB 2.003 20.977 19.000 -0.044 0.000 1.198 291 A HN 0.179 nan 8.150 nan 0.000 0.484 292 P HA 0.442 nan 4.420 nan 0.000 0.276 292 P C -0.229 176.984 177.300 -0.146 0.000 1.252 292 P CA -0.169 62.883 63.100 -0.080 0.000 0.802 292 P CB 1.272 32.978 31.700 0.011 0.000 1.035 293 V N -2.321 117.443 119.914 -0.249 0.000 3.113 293 V HA 0.866 4.986 4.120 0.000 0.000 0.316 293 V C -0.974 175.008 176.094 -0.188 0.000 1.125 293 V CA -0.873 61.202 62.300 -0.376 0.000 1.026 293 V CB 2.282 33.705 31.823 -0.667 0.000 1.080 293 V HN 0.829 nan 8.190 nan 0.000 0.444 294 W N -0.375 120.789 121.300 -0.226 0.000 3.167 294 W HA 0.625 5.285 4.660 0.000 0.000 0.324 294 W C -1.433 175.232 176.519 0.243 0.000 1.230 294 W CA -1.300 56.103 57.345 0.095 0.000 1.184 294 W CB 1.071 30.588 29.460 0.095 0.000 1.414 294 W HN 0.858 nan 8.180 nan 0.000 0.551 295 C N 3.245 122.968 119.300 0.705 0.000 2.349 295 C HA 0.631 5.091 4.460 0.000 0.000 0.348 295 C C 1.254 176.437 174.990 0.321 0.000 1.223 295 C CA 0.700 59.990 59.018 0.454 0.000 1.746 295 C CB -0.970 26.948 27.740 0.297 0.000 2.360 295 C HN 0.790 nan 8.230 nan 0.000 0.533 296 G N 4.129 112.937 108.800 0.014 0.000 2.616 296 G HA2 0.562 4.522 3.960 0.000 0.000 0.268 296 G HA3 0.562 4.522 3.960 0.000 0.000 0.268 296 G C 0.065 175.018 174.900 0.089 0.000 1.213 296 G CA 0.150 45.274 45.100 0.040 0.000 0.926 296 G HN 1.179 nan 8.290 nan 0.000 0.523 297 G N -1.168 107.678 108.800 0.076 0.000 2.519 297 G HA2 0.498 4.459 3.960 0.000 0.000 0.307 297 G HA3 0.498 4.459 3.960 0.000 0.000 0.307 297 G C -0.222 174.635 174.900 -0.071 0.000 1.266 297 G CA -0.620 44.487 45.100 0.012 0.000 0.970 297 G HN 0.369 nan 8.290 nan 0.000 0.481 298 M N 2.427 121.963 119.600 -0.105 0.000 3.002 298 M HA 0.276 4.756 4.480 0.000 0.000 0.398 298 M C 0.506 176.745 176.300 -0.101 0.000 1.366 298 M CA -0.260 54.954 55.300 -0.143 0.000 0.824 298 M CB -0.308 32.193 32.600 -0.164 0.000 1.414 298 M HN 0.584 nan 8.290 nan 0.000 0.501 299 L N 0.783 121.914 121.223 -0.152 0.000 3.660 299 L HA -0.272 4.068 4.340 0.000 0.000 0.440 299 L C -0.274 176.610 176.870 0.023 0.000 1.262 299 L CA 0.596 55.311 54.840 -0.207 0.000 0.837 299 L CB -1.785 40.242 42.059 -0.054 0.000 1.689 299 L HN 0.387 nan 8.230 nan 0.000 0.890 300 E N 0.125 120.313 120.200 -0.020 0.000 2.349 300 E HA 0.417 4.768 4.350 0.000 0.000 0.265 300 E C 0.723 177.473 176.600 0.251 0.000 1.064 300 E CA 0.256 56.711 56.400 0.092 0.000 0.886 300 E CB 0.842 30.560 29.700 0.030 0.000 1.036 300 E HN 0.388 nan 8.360 nan 0.000 0.413 301 S N 0.447 116.192 115.700 0.074 0.000 2.617 301 S HA 0.161 4.631 4.470 0.000 0.000 0.255 301 S C 1.428 176.065 174.600 0.062 0.000 1.318 301 S CA -0.274 57.877 58.200 -0.080 0.000 0.978 301 S CB 0.814 63.859 63.200 -0.258 0.000 0.961 301 S HN 0.629 nan 8.310 nan 0.000 0.582 302 G N -0.053 108.773 108.800 0.044 0.000 2.470 302 G HA2 -0.058 3.902 3.960 0.000 0.000 0.220 302 G HA3 -0.058 3.902 3.960 0.000 0.000 0.220 302 G C 1.185 176.136 174.900 0.085 0.000 1.121 302 G CA 0.550 45.705 45.100 0.092 0.000 0.766 302 G HN 0.579 nan 8.290 nan 0.000 0.553 303 I N 1.856 122.468 120.570 0.071 0.000 2.090 303 I HA -0.082 4.088 4.170 0.000 0.000 0.236 303 I C 3.067 179.309 176.117 0.209 0.000 1.064 303 I CA 1.557 62.931 61.300 0.123 0.000 1.324 303 I CB -1.595 36.461 38.000 0.093 0.000 1.044 303 I HN 0.217 nan 8.210 nan 0.000 0.399 304 G N 0.315 109.192 108.800 0.128 0.000 2.440 304 G HA2 -0.298 3.662 3.960 0.000 0.000 0.218 304 G HA3 -0.298 3.662 3.960 0.000 0.000 0.218 304 G C 1.938 176.917 174.900 0.133 0.000 1.154 304 G CA 0.895 46.060 45.100 0.109 0.000 0.767 304 G HN 0.313 nan 8.290 nan 0.000 0.552 305 R N 0.408 120.975 120.500 0.113 0.000 2.081 305 R HA 0.022 4.362 4.340 0.000 0.000 0.235 305 R C 2.888 179.259 176.300 0.118 0.000 1.131 305 R CA 1.456 57.619 56.100 0.104 0.000 0.960 305 R CB -0.332 30.036 30.300 0.113 0.000 0.856 305 R HN 0.308 nan 8.270 nan 0.000 0.436 306 A N 0.245 123.141 122.820 0.127 0.000 1.898 306 A HA -0.168 4.152 4.320 0.000 0.000 0.216 306 A C 1.875 179.550 177.584 0.151 0.000 1.181 306 A CA 1.321 53.432 52.037 0.123 0.000 0.620 306 A CB -0.803 18.239 19.000 0.070 0.000 0.819 306 A HN 0.433 nan 8.150 nan 0.000 0.442 307 H N 0.184 119.326 119.070 0.120 0.000 2.319 307 H HA -0.132 4.424 4.556 0.000 0.000 0.297 307 H C 1.971 177.403 175.328 0.173 0.000 1.097 307 H CA 1.859 58.010 56.048 0.172 0.000 1.285 307 H CB -0.153 29.701 29.762 0.154 0.000 1.368 307 H HN 0.440 nan 8.280 nan 0.000 0.495 308 N N 0.779 119.601 118.700 0.203 0.000 2.069 308 N HA -0.120 4.620 4.740 0.000 0.000 0.191 308 N C 2.220 177.729 175.510 -0.001 0.000 1.031 308 N CA 0.881 53.980 53.050 0.082 0.000 0.852 308 N CB -0.529 37.995 38.487 0.061 0.000 1.018 308 N HN 0.349 nan 8.380 nan 0.000 0.423 309 I N 0.038 120.621 120.570 0.021 0.000 2.226 309 I HA -0.263 3.907 4.170 0.000 0.000 0.245 309 I C 1.940 177.960 176.117 -0.162 0.000 1.100 309 I CA 1.192 62.448 61.300 -0.073 0.000 1.374 309 I CB -0.302 37.662 38.000 -0.060 0.000 1.057 309 I HN 0.172 nan 8.210 nan 0.000 0.413 310 H N 0.004 118.998 119.070 -0.126 0.000 2.319 310 H HA -0.207 4.349 4.556 0.000 0.000 0.299 310 H C 1.927 177.111 175.328 -0.239 0.000 1.092 310 H CA 1.836 57.775 56.048 -0.182 0.000 1.302 310 H CB -0.231 29.400 29.762 -0.218 0.000 1.373 310 H HN 0.152 nan 8.280 nan 0.000 0.497 311 L N 0.157 121.327 121.223 -0.087 0.000 2.079 311 L HA -0.155 4.185 4.340 0.000 0.000 0.210 311 L C 1.896 178.418 176.870 -0.580 0.000 1.081 311 L CA 1.627 56.347 54.840 -0.200 0.000 0.752 311 L CB -0.535 41.531 42.059 0.010 0.000 0.896 311 L HN 0.075 nan 8.230 nan 0.000 0.433 312 S N -1.781 113.493 115.700 -0.710 0.000 2.547 312 S HA -0.137 4.333 4.470 0.000 0.000 0.235 312 S C 1.869 176.162 174.600 -0.512 0.000 0.980 312 S CA 0.925 58.483 58.200 -1.069 0.000 0.941 312 S CB -0.879 61.984 63.200 -0.561 0.000 0.763 312 S HN 0.611 nan 8.310 nan 0.000 0.532 313 C N 1.237 120.336 119.300 -0.335 0.000 2.472 313 C HA 0.192 4.652 4.460 0.000 0.000 0.278 313 C C 0.939 175.848 174.990 -0.136 0.000 1.447 313 C CA -0.539 58.358 59.018 -0.201 0.000 1.773 313 C CB -1.496 26.127 27.740 -0.195 0.000 1.793 313 C HN 0.354 nan 8.230 nan 0.000 0.544 314 L N 1.707 122.873 121.223 -0.095 0.000 2.461 314 L HA 0.082 4.423 4.340 0.000 0.000 0.272 314 L C 1.782 178.818 176.870 0.278 0.000 1.197 314 L CA 0.752 55.594 54.840 0.003 0.000 0.836 314 L CB 0.469 42.370 42.059 -0.264 0.000 1.105 314 L HN 0.298 nan 8.230 nan 0.000 0.477 315 S N 1.191 117.040 115.700 0.247 0.000 2.423 315 S HA -0.150 4.320 4.470 0.000 0.000 0.231 315 S C 1.393 176.141 174.600 0.246 0.000 1.014 315 S CA 1.100 59.420 58.200 0.199 0.000 0.965 315 S CB -0.384 62.886 63.200 0.117 0.000 0.785 315 S HN 0.723 nan 8.310 nan 0.000 0.495 316 N N 0.400 119.307 118.700 0.346 0.000 2.461 316 N HA 0.170 4.910 4.740 0.000 0.000 0.188 316 N C -0.754 174.729 175.510 -0.045 0.000 1.134 316 N CA -0.223 52.783 53.050 -0.073 0.000 0.878 316 N CB -0.581 37.510 38.487 -0.661 0.000 0.972 316 N HN 0.397 nan 8.380 nan 0.000 0.456 317 F N 0.766 120.818 119.950 0.170 0.000 2.679 317 F HA 0.205 4.732 4.527 0.000 0.000 0.351 317 F C 1.367 177.237 175.800 0.118 0.000 1.279 317 F CA -0.049 58.041 58.000 0.151 0.000 1.227 317 F CB 0.244 39.332 39.000 0.146 0.000 1.623 317 F HN -0.054 nan 8.300 nan 0.000 0.666 318 R N 1.129 121.736 120.500 0.178 0.000 2.362 318 R HA 0.306 4.646 4.340 0.000 0.000 0.227 318 R C -0.115 176.269 176.300 0.140 0.000 0.905 318 R CA 0.085 56.266 56.100 0.134 0.000 1.067 318 R CB 0.502 30.847 30.300 0.075 0.000 1.078 318 R HN 0.387 nan 8.270 nan 0.000 0.516 319 L N 1.131 122.471 121.223 0.196 0.000 2.333 319 L HA 0.491 4.831 4.340 0.000 0.000 0.269 319 L C -2.406 174.582 176.870 0.197 0.000 1.010 319 L CA -2.622 52.319 54.840 0.167 0.000 0.818 319 L CB 1.944 44.111 42.059 0.180 0.000 1.306 319 L HN -0.258 nan 8.230 nan 0.000 0.430 320 P HA 0.124 nan 4.420 nan 0.000 0.271 320 P C -0.288 177.086 177.300 0.124 0.000 1.216 320 P CA -0.159 62.998 63.100 0.096 0.000 0.776 320 P CB 0.701 32.416 31.700 0.026 0.000 0.881 321 G N 1.002 109.946 108.800 0.241 0.000 2.502 321 G HA2 0.168 4.128 3.960 0.000 0.000 0.305 321 G HA3 0.168 4.128 3.960 0.000 0.000 0.305 321 G C -0.057 174.990 174.900 0.245 0.000 1.190 321 G CA -0.423 44.908 45.100 0.386 0.000 0.933 321 G HN 0.309 nan 8.290 nan 0.000 0.503 322 D N 0.186 120.785 120.400 0.332 0.000 2.400 322 D HA 0.082 4.722 4.640 0.000 0.000 0.243 322 D C 0.977 177.374 176.300 0.161 0.000 1.184 322 D CA 0.400 54.522 54.000 0.203 0.000 0.853 322 D CB 0.042 41.008 40.800 0.276 0.000 0.944 322 D HN 0.171 nan 8.370 nan 0.000 0.501 323 T N 0.204 114.856 114.554 0.164 0.000 3.591 323 T HA 0.122 4.472 4.350 0.000 0.000 0.232 323 T C 0.940 175.749 174.700 0.182 0.000 1.116 323 T CA -0.445 61.744 62.100 0.148 0.000 1.063 323 T CB -0.160 68.780 68.868 0.119 0.000 1.227 323 T HN 0.082 nan 8.240 nan 0.000 0.685 324 S N 0.678 116.507 115.700 0.215 0.000 2.640 324 S HA 0.403 4.873 4.470 0.000 0.000 0.262 324 S C 0.541 175.324 174.600 0.304 0.000 1.232 324 S CA -0.894 57.463 58.200 0.262 0.000 0.988 324 S CB 0.385 63.618 63.200 0.055 0.000 1.034 324 S HN 0.305 nan 8.310 nan 0.000 0.569 325 S N 0.599 116.464 115.700 0.276 0.000 2.560 325 S HA 0.381 4.851 4.470 0.000 0.000 0.284 325 S C 1.523 176.270 174.600 0.244 0.000 1.327 325 S CA -0.195 58.130 58.200 0.209 0.000 1.055 325 S CB 0.678 63.968 63.200 0.150 0.000 0.868 325 S HN 0.914 nan 8.310 nan 0.000 0.506 326 A N 3.091 126.068 122.820 0.261 0.000 1.933 326 A HA -0.110 4.210 4.320 0.000 0.000 0.218 326 A C 2.286 180.017 177.584 0.245 0.000 1.175 326 A CA 1.779 54.026 52.037 0.350 0.000 0.628 326 A CB -1.035 18.168 19.000 0.337 0.000 0.814 326 A HN 0.924 nan 8.150 nan 0.000 0.444 327 S N -0.381 115.403 115.700 0.139 0.000 2.500 327 S HA -0.125 4.346 4.470 0.000 0.000 0.239 327 S C 1.774 176.349 174.600 -0.043 0.000 0.989 327 S CA 0.985 59.225 58.200 0.067 0.000 0.951 327 S CB -0.457 62.771 63.200 0.047 0.000 0.759 327 S HN 0.620 nan 8.310 nan 0.000 0.523 328 R N -0.627 119.784 120.500 -0.148 0.000 2.148 328 R HA 0.035 4.375 4.340 0.000 0.000 0.227 328 R C 1.314 177.269 176.300 -0.574 0.000 1.103 328 R CA 1.555 57.421 56.100 -0.391 0.000 0.983 328 R CB -0.235 29.677 30.300 -0.648 0.000 0.874 328 R HN 0.616 nan 8.270 nan 0.000 0.451 329 Y N -2.304 117.744 120.300 -0.419 0.000 2.539 329 Y HA 0.106 4.657 4.550 0.000 0.000 0.284 329 Y C 0.357 175.760 175.900 -0.828 0.000 1.134 329 Y CA -0.238 57.338 58.100 -0.873 0.000 1.251 329 Y CB 0.448 37.985 38.460 -1.537 0.000 1.260 329 Y HN -0.054 nan 8.280 nan 0.000 0.528 330 W N 1.380 122.788 121.300 0.180 0.000 2.702 330 W HA 0.343 5.003 4.660 -0.000 0.000 0.331 330 W C 0.734 177.286 176.519 0.054 0.000 1.049 330 W CA -0.877 56.534 57.345 0.111 0.000 1.230 330 W CB 0.966 30.497 29.460 0.118 0.000 1.408 330 W HN -0.028 nan 8.180 nan 0.000 0.492 331 E N 0.931 121.287 120.200 0.260 0.000 2.208 331 E HA -0.027 4.323 4.350 0.000 0.000 0.193 331 E C 0.512 177.160 176.600 0.081 0.000 0.988 331 E CA 0.562 57.039 56.400 0.128 0.000 0.828 331 E CB 0.568 30.323 29.700 0.092 0.000 0.763 331 E HN 0.386 nan 8.360 nan 0.000 0.478 332 R N 0.630 121.192 120.500 0.103 0.000 2.515 332 R HA 0.147 4.487 4.340 0.000 0.000 0.278 332 R C -1.829 174.446 176.300 -0.040 0.000 1.107 332 R CA -0.593 55.435 56.100 -0.120 0.000 0.945 332 R CB 1.648 31.618 30.300 -0.551 0.000 1.219 332 R HN -0.090 nan 8.270 nan 0.000 0.434 333 D N 2.602 122.979 120.400 -0.038 0.000 2.387 333 D HA 0.189 4.829 4.640 0.000 0.000 0.251 333 D C 1.021 177.339 176.300 0.029 0.000 1.141 333 D CA -0.403 53.581 54.000 -0.027 0.000 0.987 333 D CB 1.357 42.201 40.800 0.073 0.000 1.116 333 D HN 0.545 nan 8.370 nan 0.000 0.491 334 L N 1.024 122.262 121.223 0.025 0.000 2.492 334 L HA 0.140 4.480 4.340 0.000 0.000 0.223 334 L C 0.977 177.903 176.870 0.093 0.000 1.132 334 L CA 0.266 55.177 54.840 0.118 0.000 0.850 334 L CB -0.352 41.697 42.059 -0.016 0.000 0.966 334 L HN 0.351 nan 8.230 nan 0.000 0.454 335 I N -4.553 116.048 120.570 0.053 0.000 2.822 335 I HA 0.211 4.381 4.170 0.000 0.000 0.312 335 I C 0.709 176.848 176.117 0.036 0.000 1.011 335 I CA -0.780 60.548 61.300 0.046 0.000 1.105 335 I CB 1.293 39.317 38.000 0.040 0.000 1.291 335 I HN -0.068 nan 8.210 nan 0.000 0.474 336 Q N 0.919 120.738 119.800 0.031 0.000 2.187 336 Q HA 0.009 4.350 4.340 0.000 0.000 0.199 336 Q C -0.297 175.713 176.000 0.016 0.000 0.957 336 Q CA 1.022 56.837 55.803 0.019 0.000 0.857 336 Q CB -0.043 28.708 28.738 0.020 0.000 0.929 336 Q HN 0.649 nan 8.270 nan 0.000 0.453 337 E N 1.932 122.147 120.200 0.024 0.000 2.331 337 E HA 0.144 4.495 4.350 0.000 0.000 0.272 337 E C -2.313 174.309 176.600 0.037 0.000 1.036 337 E CA -1.984 54.431 56.400 0.026 0.000 0.864 337 E CB 0.394 30.111 29.700 0.027 0.000 1.035 337 E HN 0.036 nan 8.360 nan 0.000 0.408 338 P HA 0.154 nan 4.420 nan 0.000 0.278 338 P C -0.825 176.510 177.300 0.059 0.000 1.238 338 P CA -0.221 62.908 63.100 0.049 0.000 0.794 338 P CB 0.703 32.424 31.700 0.035 0.000 0.955 339 L N 2.693 123.967 121.223 0.085 0.000 2.408 339 L HA 0.367 4.707 4.340 0.000 0.000 0.257 339 L C 0.228 177.156 176.870 0.097 0.000 1.053 339 L CA -0.247 54.646 54.840 0.088 0.000 0.922 339 L CB 0.853 42.978 42.059 0.110 0.000 1.261 339 L HN 0.204 nan 8.230 nan 0.000 0.458 340 E N 2.204 122.445 120.200 0.068 0.000 2.210 340 E HA 0.619 4.969 4.350 0.000 0.000 0.266 340 E C -0.618 176.007 176.600 0.041 0.000 0.883 340 E CA -0.552 55.886 56.400 0.064 0.000 0.761 340 E CB 2.954 32.679 29.700 0.041 0.000 1.156 340 E HN 0.458 nan 8.360 nan 0.000 0.412 341 A N 2.197 125.047 122.820 0.050 0.000 2.316 341 A HA 0.588 4.909 4.320 0.000 0.000 0.284 341 A C -0.319 177.219 177.584 -0.076 0.000 1.115 341 A CA -0.510 51.528 52.037 0.001 0.000 0.812 341 A CB 0.786 19.811 19.000 0.042 0.000 1.064 341 A HN 0.324 nan 8.150 nan 0.000 0.489 342 V N 1.985 121.842 119.914 -0.094 0.000 2.588 342 V HA 0.404 4.524 4.120 0.000 0.000 0.304 342 V C 0.047 176.056 176.094 -0.142 0.000 1.042 342 V CA 0.362 62.587 62.300 -0.126 0.000 0.877 342 V CB 1.421 33.197 31.823 -0.077 0.000 0.996 342 V HN 1.169 nan 8.190 nan 0.000 0.425 343 D N 3.837 124.122 120.400 -0.191 0.000 2.837 343 D HA -0.169 4.471 4.640 0.000 0.000 0.230 343 D C 1.125 177.333 176.300 -0.153 0.000 1.152 343 D CA 2.071 55.975 54.000 -0.159 0.000 0.736 343 D CB -1.064 39.681 40.800 -0.092 0.000 1.084 343 D HN 1.695 nan 8.370 nan 0.000 0.429 344 G N -1.234 107.423 108.800 -0.239 0.000 2.153 344 G HA2 -0.265 3.695 3.960 0.000 0.000 0.252 344 G HA3 -0.265 3.695 3.960 0.000 0.000 0.252 344 G C 0.160 175.041 174.900 -0.031 0.000 0.994 344 G CA 0.402 45.427 45.100 -0.125 0.000 0.698 344 G HN 0.613 nan 8.290 nan 0.000 0.521 345 L N -0.429 120.765 121.223 -0.048 0.000 2.349 345 L HA 0.709 5.049 4.340 0.000 0.000 0.278 345 L C 0.074 176.938 176.870 -0.011 0.000 0.996 345 L CA -1.050 53.780 54.840 -0.017 0.000 0.825 345 L CB 1.890 43.935 42.059 -0.024 0.000 1.243 345 L HN 0.168 nan 8.230 nan 0.000 0.412 346 M N 7.304 126.909 119.600 0.008 0.000 2.088 346 M HA 0.509 4.989 4.480 0.000 0.000 0.346 346 M C -2.504 173.785 176.300 -0.018 0.000 1.111 346 M CA -1.966 53.341 55.300 0.010 0.000 1.017 346 M CB 1.182 33.806 32.600 0.039 0.000 1.568 346 M HN 0.107 nan 8.290 nan 0.000 0.445 347 P HA 0.156 nan 4.420 nan 0.000 0.276 347 P C -0.994 176.264 177.300 -0.070 0.000 1.244 347 P CA -0.416 62.658 63.100 -0.042 0.000 0.801 347 P CB 0.614 32.297 31.700 -0.030 0.000 1.006 348 V N 3.851 123.698 119.914 -0.111 0.000 2.455 348 V HA 0.140 4.260 4.120 0.000 0.000 0.273 348 V C -1.674 174.347 176.094 -0.122 0.000 1.045 348 V CA -1.330 60.853 62.300 -0.195 0.000 0.976 348 V CB 0.059 31.706 31.823 -0.294 0.000 0.993 348 V HN 0.585 nan 8.190 nan 0.000 0.475 349 P HA 0.120 nan 4.420 nan 0.000 0.267 349 P C -0.444 176.881 177.300 0.041 0.000 1.209 349 P CA -0.010 63.098 63.100 0.013 0.000 0.763 349 P CB 0.475 32.215 31.700 0.066 0.000 0.816 350 Q N 1.291 121.103 119.800 0.020 0.000 2.368 350 Q HA 0.568 4.908 4.340 0.000 0.000 0.237 350 Q C 0.730 176.745 176.000 0.026 0.000 0.987 350 Q CA -0.017 55.798 55.803 0.020 0.000 0.896 350 Q CB 0.823 29.563 28.738 0.003 0.000 1.241 350 Q HN 0.798 nan 8.270 nan 0.000 0.485 351 G N 1.130 109.941 108.800 0.018 0.000 2.371 351 G HA2 -0.074 3.886 3.960 0.000 0.000 0.663 351 G HA3 -0.074 3.886 3.960 0.000 0.000 0.663 351 G C -3.023 171.865 174.900 -0.019 0.000 1.311 351 G CA -1.199 43.899 45.100 -0.004 0.000 0.985 351 G HN 0.472 nan 8.290 nan 0.000 0.566 352 P HA 0.479 nan 4.420 nan 0.000 0.274 352 P C 1.285 178.506 177.300 -0.132 0.000 1.231 352 P CA 1.587 64.636 63.100 -0.084 0.000 0.790 352 P CB 0.933 32.581 31.700 -0.086 0.000 0.951 353 G N 2.220 110.912 108.800 -0.180 0.000 2.583 353 G HA2 -0.364 3.596 3.960 0.000 0.000 0.292 353 G HA3 -0.364 3.596 3.960 0.000 0.000 0.292 353 G C 1.116 175.707 174.900 -0.514 0.000 1.203 353 G CA 1.240 46.179 45.100 -0.269 0.000 0.987 353 G HN 0.712 nan 8.290 nan 0.000 0.554 354 T N -0.781 113.464 114.554 -0.516 0.000 3.007 354 T HA 0.333 4.683 4.350 0.000 0.000 0.270 354 T C 2.724 177.291 174.700 -0.221 0.000 1.107 354 T CA 1.881 63.607 62.100 -0.624 0.000 1.118 354 T CB -0.384 68.205 68.868 -0.465 0.000 0.889 354 T HN 2.790 nan 8.240 nan 0.000 0.506 355 G N 0.696 109.421 108.800 -0.124 0.000 2.155 355 G HA2 -0.196 3.764 3.960 0.000 0.000 0.257 355 G HA3 -0.196 3.764 3.960 0.000 0.000 0.257 355 G C 0.191 175.096 174.900 0.008 0.000 0.983 355 G CA 0.552 45.654 45.100 0.005 0.000 0.676 355 G HN 1.622 nan 8.290 nan 0.000 0.528 356 V N -3.786 116.115 119.914 -0.021 0.000 3.074 356 V HA 1.012 5.132 4.120 0.000 0.000 0.314 356 V C -0.158 175.932 176.094 -0.006 0.000 1.117 356 V CA -0.218 62.082 62.300 0.000 0.000 1.014 356 V CB 2.243 34.077 31.823 0.018 0.000 1.057 356 V HN 0.630 nan 8.190 nan 0.000 0.438 357 T N 2.903 117.463 114.554 0.010 0.000 2.937 357 T HA 0.542 4.892 4.350 0.000 0.000 0.297 357 T C -0.443 174.272 174.700 0.025 0.000 0.991 357 T CA -0.428 61.680 62.100 0.013 0.000 0.990 357 T CB 1.216 70.092 68.868 0.013 0.000 0.991 357 T HN 0.781 nan 8.240 nan 0.000 0.440 358 L N 2.802 124.042 121.223 0.027 0.000 2.525 358 L HA 0.119 4.459 4.340 0.000 0.000 0.278 358 L C 0.735 177.635 176.870 0.051 0.000 1.218 358 L CA -0.104 54.760 54.840 0.038 0.000 0.878 358 L CB 0.288 42.366 42.059 0.032 0.000 1.127 358 L HN 0.654 nan 8.230 nan 0.000 0.492 359 D N 3.475 123.921 120.400 0.077 0.000 2.453 359 D HA 0.052 4.692 4.640 0.000 0.000 0.223 359 D C 1.074 177.437 176.300 0.106 0.000 1.183 359 D CA -0.318 53.742 54.000 0.100 0.000 0.933 359 D CB 0.636 41.519 40.800 0.139 0.000 1.038 359 D HN 0.283 nan 8.370 nan 0.000 0.513 360 R N 2.700 123.241 120.500 0.068 0.000 2.096 360 R HA -0.108 4.232 4.340 0.000 0.000 0.235 360 R C 1.456 177.779 176.300 0.038 0.000 1.127 360 R CA 1.022 57.148 56.100 0.044 0.000 0.968 360 R CB -0.220 30.102 30.300 0.036 0.000 0.861 360 R HN 0.465 nan 8.270 nan 0.000 0.440 361 E N 0.044 120.281 120.200 0.062 0.000 2.031 361 E HA -0.145 4.206 4.350 0.000 0.000 0.193 361 E C 1.706 178.355 176.600 0.082 0.000 0.994 361 E CA 1.205 57.643 56.400 0.063 0.000 0.800 361 E CB -0.506 29.240 29.700 0.076 0.000 0.752 361 E HN 0.289 nan 8.360 nan 0.000 0.447 362 F N 0.745 120.694 119.950 -0.000 0.000 2.134 362 F HA -0.208 4.320 4.527 0.000 0.000 0.299 362 F C 2.054 177.847 175.800 -0.012 0.000 1.097 362 F CA 0.903 58.901 58.000 -0.003 0.000 1.264 362 F CB -0.116 38.882 39.000 -0.004 0.000 1.001 362 F HN 0.075 nan 8.300 nan 0.000 0.479 363 L N 1.225 122.347 121.223 -0.169 0.000 2.043 363 L HA -0.160 4.180 4.340 0.000 0.000 0.212 363 L C 2.464 179.186 176.870 -0.247 0.000 1.075 363 L CA 2.114 56.801 54.840 -0.254 0.000 0.752 363 L CB -1.358 40.653 42.059 -0.081 0.000 0.891 363 L HN 0.186 nan 8.230 nan 0.000 0.432 364 A N -1.107 121.624 122.820 -0.148 0.000 1.948 364 A HA -0.269 4.051 4.320 0.000 0.000 0.220 364 A C 2.358 179.854 177.584 -0.147 0.000 1.177 364 A CA 2.457 54.427 52.037 -0.112 0.000 0.636 364 A CB -1.445 17.521 19.000 -0.057 0.000 0.815 364 A HN 0.675 nan 8.150 nan 0.000 0.449 365 T N -2.331 112.096 114.554 -0.211 0.000 2.995 365 T HA 0.010 4.360 4.350 0.000 0.000 0.269 365 T C 1.168 175.729 174.700 -0.232 0.000 1.091 365 T CA 1.452 63.437 62.100 -0.192 0.000 1.128 365 T CB -0.497 68.278 68.868 -0.156 0.000 0.891 365 T HN 0.876 nan 8.240 nan 0.000 0.492 366 V N -2.030 117.680 119.914 -0.340 0.000 3.276 366 V HA 0.390 4.510 4.120 0.000 0.000 0.319 366 V C 0.398 176.383 176.094 -0.181 0.000 1.427 366 V CA -0.671 61.470 62.300 -0.265 0.000 1.102 366 V CB -0.627 30.986 31.823 -0.350 0.000 1.020 366 V HN 0.201 nan 8.190 nan 0.000 0.456 367 T N 3.111 117.572 114.554 -0.156 0.000 2.851 367 T HA 0.249 4.599 4.350 0.000 0.000 0.298 367 T C 1.104 175.754 174.700 -0.084 0.000 0.977 367 T CA 0.732 62.767 62.100 -0.108 0.000 1.126 367 T CB 1.194 70.010 68.868 -0.088 0.000 0.916 367 T HN 0.842 nan 8.240 nan 0.000 0.529 368 E N 1.952 122.109 120.200 -0.071 0.000 2.447 368 E HA 0.475 4.825 4.350 0.000 0.000 0.204 368 E C 0.366 176.940 176.600 -0.045 0.000 0.977 368 E CA -0.439 55.926 56.400 -0.059 0.000 0.950 368 E CB 0.605 30.267 29.700 -0.063 0.000 0.975 368 E HN 0.502 nan 8.360 nan 0.000 0.496 369 A N 1.527 124.324 122.820 -0.039 0.000 2.574 369 A HA 0.519 4.839 4.320 0.000 0.000 0.297 369 A C -1.673 175.897 177.584 -0.022 0.000 1.062 369 A CA -0.897 51.123 52.037 -0.027 0.000 0.686 369 A CB 1.509 20.497 19.000 -0.019 0.000 1.285 369 A HN 0.218 nan 8.150 nan 0.000 0.403 370 Q N 0.986 120.775 119.800 -0.018 0.000 2.386 370 Q HA 0.688 5.028 4.340 0.000 0.000 0.274 370 Q C -1.376 174.613 176.000 -0.019 0.000 1.011 370 Q CA -0.865 54.931 55.803 -0.012 0.000 0.867 370 Q CB 2.223 30.950 28.738 -0.018 0.000 1.409 370 Q HN 0.895 nan 8.270 nan 0.000 0.395 371 E N 0.844 121.036 120.200 -0.014 0.000 2.390 371 E HA 0.483 4.833 4.350 0.000 0.000 0.280 371 E C -1.616 174.935 176.600 -0.082 0.000 0.992 371 E CA -0.857 55.501 56.400 -0.070 0.000 0.790 371 E CB 2.598 32.262 29.700 -0.061 0.000 1.248 371 E HN 0.648 nan 8.360 nan 0.000 0.447 372 E N 1.547 121.628 120.200 -0.198 0.000 2.256 372 E HA 0.350 4.700 4.350 0.000 0.000 0.267 372 E C -1.343 175.059 176.600 -0.330 0.000 0.892 372 E CA -0.752 55.567 56.400 -0.136 0.000 0.775 372 E CB 1.476 31.135 29.700 -0.068 0.000 1.207 372 E HN 0.520 nan 8.360 nan 0.000 0.420 373 H N 2.836 121.931 119.070 0.040 0.000 2.679 373 H HA 0.496 5.052 4.556 -0.000 0.000 0.360 373 H C -0.416 174.940 175.328 0.047 0.000 1.105 373 H CA -0.672 55.399 56.048 0.039 0.000 1.196 373 H CB 1.682 31.470 29.762 0.043 0.000 1.636 373 H HN 0.455 nan 8.280 nan 0.000 0.531 374 R N 0.604 121.188 120.500 0.141 0.000 2.905 374 R HA 0.663 5.003 4.340 0.000 0.000 0.260 374 R C -0.170 176.185 176.300 0.091 0.000 1.086 374 R CA -0.973 55.187 56.100 0.100 0.000 0.978 374 R CB 1.977 32.309 30.300 0.053 0.000 1.215 374 R HN 0.624 nan 8.270 nan 0.000 0.480 375 A N 0.000 122.863 122.820 0.072 0.000 2.254 375 A HA 0.000 4.320 4.320 0.000 0.000 0.244 375 A CA 0.000 52.071 52.037 0.057 0.000 0.836 375 A CB 0.000 19.025 19.000 0.042 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486