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 3c5m_1_A DATA FIRST_RESID 2 DATA SEQUENCE AKGDVITLNF ETFVDSDTQV KVTRLTPTDI ICHRNYFYQK CFTQDGKKLL DATA SEQUENCE FAGDFDGNRN YYLLNLETQQ AVQLTEGKGD NTFGGFISTD ERAFFYVKNE DATA SEQUENCE LNLXKVDLET LEEQVIYTVD EEWKGYGTWV ANSDCTKLVG IEILKRDWQP DATA SEQUENCE LTSWEKFAEF YHTNPTCRLI KVDIETGELE VIHQDTAWLG HPIYRPFDDS DATA SEQUENCE TVGFCHEGPH DLVDARXWLV NEDGSNVRKI KEHAEGESCT HEFWIPDGSA DATA SEQUENCE XAYVSYFKGQ TDRVIYKANP ETLENEEVXV XPPCSHLXSN FDGSLXVGDG DATA SEQUENCE CDAXXXXXXX XXXNIENDPF LYVLNTKAKS AQKLCKHSTS WDVLDGDRQI DATA SEQUENCE THPHPSFTPN DDGVLFTSDF EGVPAIYIAD VPESYK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.552 177.584 -0.054 0.000 1.274 2 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 3 K N 0.816 121.173 120.400 -0.071 0.000 2.473 3 K HA 0.287 4.607 4.320 0.000 0.000 0.277 3 K C 1.286 177.838 176.600 -0.080 0.000 1.052 3 K CA 2.070 58.299 56.287 -0.097 0.000 1.114 3 K CB -0.158 32.298 32.500 -0.075 0.000 0.869 3 K HN 2.256 nan 8.250 nan 0.000 0.481 4 G N 3.435 112.176 108.800 -0.098 0.000 2.284 4 G HA2 -0.201 3.759 3.960 0.000 0.000 0.216 4 G HA3 -0.201 3.759 3.960 0.000 0.000 0.216 4 G C -0.261 174.603 174.900 -0.059 0.000 1.009 4 G CA 0.013 45.069 45.100 -0.072 0.000 0.625 4 G HN 0.720 nan 8.290 nan 0.000 0.501 5 D N 0.480 120.849 120.400 -0.052 0.000 2.390 5 D HA 0.433 5.073 4.640 0.000 0.000 0.236 5 D C 0.562 176.843 176.300 -0.031 0.000 1.189 5 D CA 0.543 54.524 54.000 -0.031 0.000 0.887 5 D CB 1.567 42.362 40.800 -0.009 0.000 1.198 5 D HN 0.316 nan 8.370 nan 0.000 0.444 6 V N 1.385 121.278 119.914 -0.035 0.000 2.680 6 V HA 0.506 4.626 4.120 0.000 0.000 0.309 6 V C 0.142 176.187 176.094 -0.082 0.000 1.052 6 V CA -0.860 61.410 62.300 -0.049 0.000 0.908 6 V CB 1.792 33.586 31.823 -0.049 0.000 1.001 6 V HN 0.388 nan 8.190 nan 0.000 0.431 7 I N -0.021 120.468 120.570 -0.135 0.000 2.533 7 I HA 0.658 4.828 4.170 0.000 0.000 0.290 7 I C -0.388 175.614 176.117 -0.193 0.000 1.056 7 I CA -0.376 60.797 61.300 -0.213 0.000 1.057 7 I CB 2.282 40.005 38.000 -0.462 0.000 1.240 7 I HN 0.429 nan 8.210 nan 0.000 0.423 8 T N 7.269 121.731 114.554 -0.154 0.000 2.743 8 T HA 0.580 4.930 4.350 0.000 0.000 0.293 8 T C 0.068 174.675 174.700 -0.155 0.000 0.945 8 T CA -0.300 61.711 62.100 -0.148 0.000 1.030 8 T CB 0.837 69.634 68.868 -0.118 0.000 0.912 8 T HN 0.376 nan 8.240 nan 0.000 0.483 9 L N 3.240 124.350 121.223 -0.189 0.000 2.358 9 L HA 0.588 4.928 4.340 0.000 0.000 0.268 9 L C 0.133 176.866 176.870 -0.228 0.000 1.032 9 L CA -1.239 53.511 54.840 -0.150 0.000 0.805 9 L CB 1.043 43.069 42.059 -0.056 0.000 1.253 9 L HN 0.444 nan 8.230 nan 0.000 0.452 10 N N 0.571 119.217 118.700 -0.090 0.000 2.392 10 N HA 0.445 5.185 4.740 0.000 0.000 0.283 10 N C -1.333 174.270 175.510 0.156 0.000 1.003 10 N CA -0.170 52.842 53.050 -0.063 0.000 0.892 10 N CB 1.074 39.553 38.487 -0.013 0.000 1.193 10 N HN 0.325 nan 8.380 nan 0.000 0.487 11 F N 0.689 120.619 119.950 -0.033 0.000 2.391 11 F HA 0.257 4.784 4.527 -0.000 0.000 0.359 11 F C 0.850 176.656 175.800 0.010 0.000 1.122 11 F CA -0.772 57.212 58.000 -0.027 0.000 1.120 11 F CB 1.185 40.170 39.000 -0.024 0.000 1.142 11 F HN 0.255 nan 8.300 nan 0.000 0.483 12 E N 3.131 123.459 120.200 0.215 0.000 2.145 12 E HA 0.309 4.659 4.350 0.000 0.000 0.270 12 E C -1.229 175.512 176.600 0.235 0.000 0.906 12 E CA -0.537 55.975 56.400 0.188 0.000 0.761 12 E CB 1.568 31.362 29.700 0.157 0.000 1.116 12 E HN 0.458 nan 8.360 nan 0.000 0.408 13 T N 5.019 119.696 114.554 0.205 0.000 2.794 13 T HA 0.493 4.843 4.350 0.000 0.000 0.280 13 T C -0.722 174.124 174.700 0.244 0.000 0.987 13 T CA -0.519 61.682 62.100 0.168 0.000 0.993 13 T CB 0.213 69.125 68.868 0.072 0.000 0.939 13 T HN 0.399 nan 8.240 nan 0.000 0.449 14 F N 0.319 120.327 119.950 0.096 0.000 2.640 14 F HA 0.883 5.410 4.527 -0.000 0.000 0.324 14 F C -1.190 174.649 175.800 0.066 0.000 1.077 14 F CA -1.653 56.397 58.000 0.084 0.000 0.965 14 F CB 0.670 39.734 39.000 0.107 0.000 1.351 14 F HN 0.231 nan 8.300 nan 0.000 0.487 15 V N 1.511 121.511 119.914 0.143 0.000 2.427 15 V HA 0.197 4.317 4.120 0.000 0.000 0.286 15 V C -0.352 175.806 176.094 0.106 0.000 1.034 15 V CA -0.780 61.536 62.300 0.027 0.000 0.893 15 V CB 1.222 33.074 31.823 0.049 0.000 0.982 15 V HN 0.850 nan 8.190 nan 0.000 0.452 16 D N 3.136 123.541 120.400 0.008 0.000 2.417 16 D HA -0.015 4.625 4.640 0.000 0.000 0.250 16 D C 1.364 177.700 176.300 0.060 0.000 1.166 16 D CA 0.452 54.486 54.000 0.056 0.000 0.881 16 D CB 1.498 42.296 40.800 -0.003 0.000 1.164 16 D HN 0.710 nan 8.370 nan 0.000 0.467 17 S N 2.789 118.528 115.700 0.066 0.000 2.442 17 S HA -0.173 4.297 4.470 0.000 0.000 0.236 17 S C 0.851 175.479 174.600 0.046 0.000 1.007 17 S CA 0.834 59.063 58.200 0.049 0.000 0.965 17 S CB 0.204 63.424 63.200 0.033 0.000 0.773 17 S HN 0.468 nan 8.310 nan 0.000 0.504 18 D N 0.936 121.378 120.400 0.069 0.000 2.388 18 D HA 0.118 4.758 4.640 0.000 0.000 0.208 18 D C 1.830 178.155 176.300 0.041 0.000 1.035 18 D CA 1.411 55.462 54.000 0.086 0.000 0.875 18 D CB 0.191 41.123 40.800 0.219 0.000 0.984 18 D HN 0.694 nan 8.370 nan 0.000 0.508 19 T N -3.425 111.152 114.554 0.039 0.000 3.004 19 T HA 0.140 4.490 4.350 0.000 0.000 0.266 19 T C 0.766 175.463 174.700 -0.005 0.000 0.986 19 T CA -0.082 62.018 62.100 -0.001 0.000 0.902 19 T CB 0.803 69.668 68.868 -0.006 0.000 1.118 19 T HN -0.249 nan 8.240 nan 0.000 0.522 20 Q N -0.032 119.771 119.800 0.005 0.000 2.305 20 Q HA -0.131 4.209 4.340 0.000 0.000 0.203 20 Q C 0.112 176.103 176.000 -0.015 0.000 0.663 20 Q CA 0.844 56.647 55.803 0.000 0.000 1.389 20 Q CB -2.541 26.196 28.738 -0.001 0.000 1.566 20 Q HN 0.614 nan 8.270 nan 0.000 0.755 21 V N 1.466 121.366 119.914 -0.024 0.000 2.740 21 V HA -0.002 4.118 4.120 0.000 0.000 0.303 21 V C 1.011 177.056 176.094 -0.082 0.000 1.054 21 V CA 0.302 62.580 62.300 -0.037 0.000 1.106 21 V CB 0.988 32.796 31.823 -0.026 0.000 0.957 21 V HN 0.101 nan 8.190 nan 0.000 0.486 22 K N 3.015 123.368 120.400 -0.080 0.000 2.298 22 K HA 0.537 4.857 4.320 0.000 0.000 0.280 22 K C -0.935 175.546 176.600 -0.198 0.000 1.032 22 K CA -0.274 55.932 56.287 -0.134 0.000 0.958 22 K CB 1.324 33.781 32.500 -0.073 0.000 0.978 22 K HN 0.451 nan 8.250 nan 0.000 0.472 23 V N 1.918 121.586 119.914 -0.410 0.000 2.623 23 V HA 0.236 4.356 4.120 0.000 0.000 0.304 23 V C -0.360 175.496 176.094 -0.397 0.000 1.054 23 V CA -0.833 61.199 62.300 -0.447 0.000 0.882 23 V CB 1.963 33.335 31.823 -0.751 0.000 1.002 23 V HN 0.859 nan 8.190 nan 0.000 0.424 24 T N 4.817 119.308 114.554 -0.105 0.000 2.824 24 T HA 0.512 4.862 4.350 0.000 0.000 0.282 24 T C -0.498 174.208 174.700 0.009 0.000 0.993 24 T CA -0.653 61.443 62.100 -0.007 0.000 0.967 24 T CB 1.205 70.032 68.868 -0.068 0.000 0.960 24 T HN 0.693 nan 8.240 nan 0.000 0.441 25 R N 5.058 125.598 120.500 0.066 0.000 2.254 25 R HA 0.313 4.654 4.340 0.000 0.000 0.318 25 R C 0.612 176.705 176.300 -0.345 0.000 1.031 25 R CA -0.782 55.159 56.100 -0.265 0.000 0.905 25 R CB 0.542 30.739 30.300 -0.171 0.000 1.050 25 R HN 0.567 nan 8.270 nan 0.000 0.456 26 L N 2.440 123.343 121.223 -0.532 0.000 2.202 26 L HA 0.053 4.393 4.340 0.000 0.000 0.205 26 L C 1.288 178.044 176.870 -0.190 0.000 1.083 26 L CA 1.210 55.729 54.840 -0.534 0.000 0.790 26 L CB -1.026 40.622 42.059 -0.684 0.000 0.942 26 L HN 0.666 nan 8.230 nan 0.000 0.452 27 T N -2.165 112.201 114.554 -0.315 0.000 2.943 27 T HA 0.526 4.876 4.350 0.000 0.000 0.284 27 T C -2.588 172.032 174.700 -0.133 0.000 1.015 27 T CA -2.072 59.922 62.100 -0.177 0.000 1.042 27 T CB 1.632 70.353 68.868 -0.244 0.000 1.055 27 T HN -0.181 nan 8.240 nan 0.000 0.500 28 P HA 0.149 nan 4.420 nan 0.000 0.268 28 P C 0.811 178.037 177.300 -0.124 0.000 1.208 28 P CA -0.178 62.891 63.100 -0.051 0.000 0.777 28 P CB 0.338 32.045 31.700 0.012 0.000 0.875 29 T N -0.153 114.332 114.554 -0.115 0.000 3.113 29 T HA -0.044 4.306 4.350 0.000 0.000 0.256 29 T C 0.839 175.465 174.700 -0.123 0.000 1.131 29 T CA 0.986 63.002 62.100 -0.139 0.000 1.074 29 T CB -0.638 68.149 68.868 -0.135 0.000 0.944 29 T HN 0.487 nan 8.240 nan 0.000 0.516 30 D N -0.428 119.907 120.400 -0.108 0.000 2.398 30 D HA 0.161 4.801 4.640 0.000 0.000 0.210 30 D C 0.433 176.655 176.300 -0.131 0.000 1.094 30 D CA -0.253 53.687 54.000 -0.100 0.000 0.839 30 D CB 0.626 41.383 40.800 -0.072 0.000 0.963 30 D HN 0.420 nan 8.370 nan 0.000 0.506 31 I N 1.186 121.643 120.570 -0.188 0.000 2.545 31 I HA 0.280 4.450 4.170 0.000 0.000 0.292 31 I C -0.561 175.383 176.117 -0.287 0.000 1.040 31 I CA -1.028 60.102 61.300 -0.282 0.000 1.068 31 I CB 2.646 40.354 38.000 -0.487 0.000 1.251 31 I HN -0.225 nan 8.210 nan 0.000 0.424 32 I N 6.478 126.909 120.570 -0.232 0.000 2.668 32 I HA 0.062 4.232 4.170 0.000 0.000 0.285 32 I C -0.602 175.412 176.117 -0.172 0.000 1.168 32 I CA 0.449 61.655 61.300 -0.157 0.000 1.424 32 I CB 0.012 37.957 38.000 -0.091 0.000 1.377 32 I HN 0.492 nan 8.210 nan 0.000 0.560 33 C N 5.904 125.150 119.300 -0.090 0.000 2.985 33 C HA 0.641 5.101 4.460 0.000 0.000 0.314 33 C C -0.571 174.452 174.990 0.055 0.000 1.215 33 C CA -0.506 58.491 59.018 -0.036 0.000 1.414 33 C CB 1.764 29.460 27.740 -0.072 0.000 1.842 33 C HN 0.891 nan 8.230 nan 0.000 0.477 34 H N 0.299 119.348 119.070 -0.034 0.000 3.042 34 H HA 0.584 5.140 4.556 0.000 0.000 0.346 34 H C -1.226 174.090 175.328 -0.020 0.000 1.294 34 H CA -0.761 55.258 56.048 -0.049 0.000 1.141 34 H CB 1.088 30.800 29.762 -0.083 0.000 1.872 34 H HN 0.871 nan 8.280 nan 0.000 0.541 35 R N 1.672 122.221 120.500 0.081 0.000 2.543 35 R HA 0.262 4.602 4.340 0.000 0.000 0.268 35 R C -0.054 176.325 176.300 0.132 0.000 1.067 35 R CA -0.418 55.726 56.100 0.073 0.000 1.142 35 R CB 0.804 31.192 30.300 0.147 0.000 1.110 35 R HN 0.830 nan 8.270 nan 0.000 0.549 36 N N -0.199 118.556 118.700 0.092 0.000 2.322 36 N HA -0.024 4.716 4.740 0.000 0.000 0.270 36 N C -0.880 174.759 175.510 0.216 0.000 1.286 36 N CA -0.794 52.308 53.050 0.085 0.000 0.948 36 N CB 0.161 38.718 38.487 0.116 0.000 1.164 36 N HN 0.384 nan 8.380 nan 0.000 0.551 37 Y N 0.329 120.692 120.300 0.105 0.000 2.511 37 Y HA 0.004 4.554 4.550 0.000 0.000 0.332 37 Y C 1.203 176.941 175.900 -0.269 0.000 1.177 37 Y CA -0.965 57.006 58.100 -0.215 0.000 1.422 37 Y CB -0.189 37.886 38.460 -0.642 0.000 1.271 37 Y HN 0.527 nan 8.280 nan 0.000 0.550 38 F N 0.276 120.260 119.950 0.056 0.000 2.236 38 F HA -0.258 4.269 4.527 0.000 0.000 0.302 38 F C 1.443 177.350 175.800 0.179 0.000 1.073 38 F CA 1.007 59.086 58.000 0.131 0.000 1.336 38 F CB -1.281 37.795 39.000 0.127 0.000 1.040 38 F HN 0.517 nan 8.300 nan 0.000 0.507 39 Y N -0.664 119.436 120.300 -0.333 0.000 2.523 39 Y HA 0.325 4.875 4.550 0.000 0.000 0.279 39 Y C 0.728 176.682 175.900 0.089 0.000 1.139 39 Y CA -0.789 57.272 58.100 -0.065 0.000 1.296 39 Y CB -0.985 37.388 38.460 -0.146 0.000 1.045 39 Y HN 0.032 nan 8.280 nan 0.000 0.538 40 Q N 2.539 122.252 119.800 -0.144 0.000 2.259 40 Q HA 0.141 4.481 4.340 0.000 0.000 0.249 40 Q C -0.614 175.502 176.000 0.193 0.000 0.914 40 Q CA -0.429 55.396 55.803 0.037 0.000 0.904 40 Q CB 2.028 30.789 28.738 0.038 0.000 1.213 40 Q HN 0.382 nan 8.270 nan 0.000 0.428 41 K N 1.465 122.022 120.400 0.261 0.000 2.416 41 K HA 0.059 4.379 4.320 0.000 0.000 0.283 41 K C 0.329 177.097 176.600 0.280 0.000 1.037 41 K CA 0.009 56.477 56.287 0.300 0.000 0.995 41 K CB 0.190 32.879 32.500 0.316 0.000 0.938 41 K HN 0.870 nan 8.250 nan 0.000 0.475 42 C N 2.931 122.368 119.300 0.227 0.000 3.785 42 C HA 0.463 4.923 4.460 0.000 0.000 0.312 42 C C -0.336 174.605 174.990 -0.082 0.000 1.566 42 C CA -0.946 58.109 59.018 0.063 0.000 1.837 42 C CB -0.927 26.812 27.740 -0.002 0.000 2.826 42 C HN 0.568 nan 8.230 nan 0.000 0.667 43 F N 3.022 123.060 119.950 0.147 0.000 2.508 43 F HA 0.595 5.122 4.527 0.000 0.000 0.325 43 F C 0.918 176.789 175.800 0.119 0.000 1.090 43 F CA -0.113 57.961 58.000 0.124 0.000 0.945 43 F CB 1.777 40.854 39.000 0.130 0.000 1.156 43 F HN 0.150 nan 8.300 nan 0.000 0.463 44 T N -0.075 114.667 114.554 0.314 0.000 2.904 44 T HA 0.144 4.494 4.350 0.000 0.000 0.290 44 T C 0.963 175.782 174.700 0.198 0.000 1.018 44 T CA -0.809 61.417 62.100 0.210 0.000 1.075 44 T CB 1.178 70.137 68.868 0.151 0.000 0.986 44 T HN 0.476 nan 8.240 nan 0.000 0.523 45 Q N 1.485 121.369 119.800 0.140 0.000 2.133 45 Q HA -0.180 4.160 4.340 0.000 0.000 0.208 45 Q C 1.821 177.864 176.000 0.073 0.000 0.991 45 Q CA 2.362 58.221 55.803 0.093 0.000 0.867 45 Q CB -0.768 28.007 28.738 0.062 0.000 0.911 45 Q HN 1.004 nan 8.270 nan 0.000 0.417 46 D N -1.277 119.172 120.400 0.081 0.000 2.348 46 D HA 0.031 4.671 4.640 0.000 0.000 0.216 46 D C 1.017 177.365 176.300 0.080 0.000 0.970 46 D CA 0.931 54.972 54.000 0.067 0.000 0.889 46 D CB -0.425 40.414 40.800 0.065 0.000 0.912 46 D HN 0.315 nan 8.370 nan 0.000 0.524 47 G N 0.275 109.151 108.800 0.126 0.000 2.176 47 G HA2 -0.369 3.591 3.960 0.000 0.000 0.252 47 G HA3 -0.369 3.591 3.960 0.000 0.000 0.252 47 G C 0.791 175.812 174.900 0.201 0.000 1.024 47 G CA 0.595 45.788 45.100 0.155 0.000 0.755 47 G HN 0.484 nan 8.290 nan 0.000 0.507 48 K N -1.307 119.204 120.400 0.186 0.000 2.370 48 K HA 0.193 4.513 4.320 0.000 0.000 0.194 48 K C 0.762 177.456 176.600 0.156 0.000 1.070 48 K CA 0.336 56.715 56.287 0.154 0.000 0.998 48 K CB 0.530 33.092 32.500 0.104 0.000 0.911 48 K HN 0.169 nan 8.250 nan 0.000 0.533 49 K N 1.239 121.735 120.400 0.160 0.000 2.259 49 K HA 0.425 4.745 4.320 0.000 0.000 0.252 49 K C -1.536 175.090 176.600 0.043 0.000 0.936 49 K CA -0.631 55.715 56.287 0.098 0.000 0.810 49 K CB 1.686 34.227 32.500 0.067 0.000 1.143 49 K HN -0.115 nan 8.250 nan 0.000 0.427 50 L N 3.246 124.444 121.223 -0.041 0.000 2.408 50 L HA 0.608 4.948 4.340 0.000 0.000 0.268 50 L C -1.815 175.010 176.870 -0.076 0.000 0.986 50 L CA -0.931 53.764 54.840 -0.243 0.000 0.820 50 L CB 1.664 43.500 42.059 -0.372 0.000 1.303 50 L HN 0.587 nan 8.230 nan 0.000 0.411 51 L N 5.842 126.981 121.223 -0.139 0.000 2.307 51 L HA 0.838 5.178 4.340 0.000 0.000 0.282 51 L C -0.934 175.961 176.870 0.043 0.000 1.051 51 L CA 0.013 54.783 54.840 -0.117 0.000 0.804 51 L CB 1.015 42.946 42.059 -0.213 0.000 1.197 51 L HN 0.697 nan 8.230 nan 0.000 0.431 52 F N 2.879 122.752 119.950 -0.128 0.000 2.877 52 F HA 0.914 5.441 4.527 0.000 0.000 0.319 52 F C -1.404 174.288 175.800 -0.181 0.000 1.174 52 F CA -0.684 57.216 58.000 -0.166 0.000 0.903 52 F CB 0.728 39.618 39.000 -0.184 0.000 1.357 52 F HN 0.639 nan 8.300 nan 0.000 0.472 53 A N 0.366 122.954 122.820 -0.387 0.000 2.380 53 A HA 0.993 5.314 4.320 0.000 0.000 0.315 53 A C -0.490 176.970 177.584 -0.206 0.000 1.101 53 A CA -0.414 51.298 52.037 -0.541 0.000 0.771 53 A CB 1.214 19.663 19.000 -0.918 0.000 1.287 53 A HN 1.988 nan 8.150 nan 0.000 0.436 54 G N -0.516 108.228 108.800 -0.094 0.000 2.623 54 G HA2 0.508 4.468 3.960 0.000 0.000 0.290 54 G HA3 0.508 4.468 3.960 0.000 0.000 0.290 54 G C -1.404 173.427 174.900 -0.115 0.000 1.437 54 G CA -0.500 44.516 45.100 -0.140 0.000 0.798 54 G HN 0.391 nan 8.290 nan 0.000 0.488 55 D N 0.261 120.476 120.400 -0.309 0.000 2.427 55 D HA 0.176 4.816 4.640 0.000 0.000 0.224 55 D C 1.474 177.679 176.300 -0.159 0.000 1.157 55 D CA -0.285 53.614 54.000 -0.168 0.000 0.828 55 D CB 0.058 40.767 40.800 -0.152 0.000 0.974 55 D HN 0.254 nan 8.370 nan 0.000 0.498 56 F N 0.957 120.873 119.950 -0.057 0.000 2.115 56 F HA -0.191 4.336 4.527 0.000 0.000 0.300 56 F C 1.790 177.611 175.800 0.036 0.000 1.092 56 F CA 1.094 59.065 58.000 -0.048 0.000 1.245 56 F CB -0.263 38.647 39.000 -0.150 0.000 0.995 56 F HN -0.041 nan 8.300 nan 0.000 0.481 57 D N -0.820 119.748 120.400 0.280 0.000 2.561 57 D HA 0.225 4.865 4.640 0.000 0.000 0.232 57 D C 1.475 177.826 176.300 0.084 0.000 1.198 57 D CA 0.655 54.755 54.000 0.167 0.000 0.826 57 D CB -0.462 40.434 40.800 0.160 0.000 0.992 57 D HN 0.288 nan 8.370 nan 0.000 0.490 58 G N 0.660 109.492 108.800 0.054 0.000 2.189 58 G HA2 -0.326 3.634 3.960 0.000 0.000 0.267 58 G HA3 -0.326 3.634 3.960 0.000 0.000 0.267 58 G C 0.290 175.201 174.900 0.018 0.000 0.975 58 G CA 0.258 45.371 45.100 0.022 0.000 0.644 58 G HN 0.518 nan 8.290 nan 0.000 0.537 59 N N -1.463 117.254 118.700 0.029 0.000 2.277 59 N HA 0.522 5.262 4.740 0.000 0.000 0.286 59 N C -0.548 174.969 175.510 0.012 0.000 1.140 59 N CA -1.064 51.997 53.050 0.018 0.000 0.799 59 N CB 1.108 39.606 38.487 0.018 0.000 1.596 59 N HN 0.104 nan 8.380 nan 0.000 0.473 60 R N 2.100 122.596 120.500 -0.007 0.000 2.387 60 R HA 0.202 4.542 4.340 0.000 0.000 0.321 60 R C -0.953 175.287 176.300 -0.100 0.000 1.174 60 R CA 0.272 56.348 56.100 -0.039 0.000 1.002 60 R CB -0.878 29.413 30.300 -0.014 0.000 1.028 60 R HN 0.500 nan 8.270 nan 0.000 0.482 61 N N 2.401 121.037 118.700 -0.108 0.000 2.545 61 N HA 0.241 4.981 4.740 0.000 0.000 0.289 61 N C -1.181 174.085 175.510 -0.407 0.000 1.279 61 N CA -0.531 52.378 53.050 -0.235 0.000 0.824 61 N CB 0.658 39.020 38.487 -0.208 0.000 1.395 61 N HN 0.279 nan 8.380 nan 0.000 0.526 62 Y N 0.246 120.264 120.300 -0.469 0.000 2.308 62 Y HA 0.352 4.902 4.550 0.000 0.000 0.329 62 Y C -0.341 175.044 175.900 -0.858 0.000 1.111 62 Y CA 0.084 57.821 58.100 -0.604 0.000 1.179 62 Y CB 0.631 38.688 38.460 -0.673 0.000 1.201 62 Y HN 0.358 nan 8.280 nan 0.000 0.483 63 Y N 1.918 121.817 120.300 -0.669 0.000 2.602 63 Y HA 0.584 5.134 4.550 0.000 0.000 0.342 63 Y C -1.171 174.375 175.900 -0.591 0.000 1.029 63 Y CA -1.275 56.401 58.100 -0.708 0.000 1.080 63 Y CB 1.814 39.644 38.460 -1.050 0.000 1.284 63 Y HN 0.368 nan 8.280 nan 0.000 0.485 64 L N 3.089 124.203 121.223 -0.181 0.000 2.342 64 L HA 0.554 4.894 4.340 0.000 0.000 0.276 64 L C -1.735 175.186 176.870 0.085 0.000 0.997 64 L CA -0.646 54.142 54.840 -0.086 0.000 0.838 64 L CB 1.098 43.080 42.059 -0.128 0.000 1.224 64 L HN 0.569 nan 8.230 nan 0.000 0.416 65 L N 4.977 126.332 121.223 0.219 0.000 2.307 65 L HA 0.462 4.802 4.340 0.000 0.000 0.282 65 L C -0.221 176.727 176.870 0.130 0.000 1.051 65 L CA 0.186 55.166 54.840 0.233 0.000 0.804 65 L CB 1.264 43.484 42.059 0.268 0.000 1.197 65 L HN 0.758 nan 8.230 nan 0.000 0.431 66 N N 3.738 122.503 118.700 0.110 0.000 2.558 66 N HA 0.141 4.881 4.740 0.000 0.000 0.233 66 N C 0.685 176.280 175.510 0.143 0.000 1.038 66 N CA -0.646 52.460 53.050 0.092 0.000 0.934 66 N CB 0.576 39.090 38.487 0.045 0.000 1.175 66 N HN 0.653 nan 8.380 nan 0.000 0.512 67 L N 3.144 124.479 121.223 0.188 0.000 2.129 67 L HA -0.222 4.118 4.340 0.000 0.000 0.212 67 L C 2.013 179.031 176.870 0.247 0.000 1.087 67 L CA 1.719 56.728 54.840 0.281 0.000 0.757 67 L CB -0.624 41.570 42.059 0.225 0.000 0.896 67 L HN 0.730 nan 8.230 nan 0.000 0.434 68 E N -3.369 116.911 120.200 0.133 0.000 2.474 68 E HA 0.029 4.379 4.350 0.000 0.000 0.195 68 E C 1.093 177.704 176.600 0.018 0.000 1.039 68 E CA 0.627 57.075 56.400 0.080 0.000 0.881 68 E CB -0.032 29.707 29.700 0.064 0.000 0.970 68 E HN 0.251 nan 8.360 nan 0.000 0.486 69 T N 0.052 114.602 114.554 -0.007 0.000 2.958 69 T HA 0.047 4.397 4.350 0.000 0.000 0.256 69 T C 0.265 174.877 174.700 -0.146 0.000 0.983 69 T CA -0.096 61.968 62.100 -0.059 0.000 0.924 69 T CB 0.344 69.192 68.868 -0.033 0.000 1.136 69 T HN 0.126 nan 8.240 nan 0.000 0.506 70 Q N 0.521 120.206 119.800 -0.191 0.000 2.481 70 Q HA -0.175 4.165 4.340 0.000 0.000 0.258 70 Q C -0.447 175.414 176.000 -0.232 0.000 0.961 70 Q CA 0.668 56.216 55.803 -0.424 0.000 1.121 70 Q CB -1.303 26.985 28.738 -0.750 0.000 1.503 70 Q HN 0.590 nan 8.270 nan 0.000 0.544 71 Q N -0.434 119.302 119.800 -0.107 0.000 2.312 71 Q HA 0.751 5.091 4.340 0.000 0.000 0.263 71 Q C -0.693 175.294 176.000 -0.022 0.000 0.995 71 Q CA -0.100 55.655 55.803 -0.080 0.000 0.853 71 Q CB 2.125 30.822 28.738 -0.070 0.000 1.300 71 Q HN 0.280 nan 8.270 nan 0.000 0.448 72 A N 1.904 124.705 122.820 -0.032 0.000 2.355 72 A HA 0.659 4.979 4.320 0.000 0.000 0.317 72 A C -1.168 176.430 177.584 0.024 0.000 1.094 72 A CA -0.635 51.425 52.037 0.040 0.000 0.764 72 A CB 1.678 20.734 19.000 0.092 0.000 1.230 72 A HN 0.503 nan 8.150 nan 0.000 0.448 73 V N 2.465 122.395 119.914 0.026 0.000 2.547 73 V HA 0.413 4.533 4.120 0.000 0.000 0.299 73 V C 0.054 176.081 176.094 -0.112 0.000 1.040 73 V CA -0.564 61.719 62.300 -0.027 0.000 0.913 73 V CB 1.570 33.356 31.823 -0.061 0.000 0.992 73 V HN 0.986 nan 8.190 nan 0.000 0.449 74 Q N 3.558 123.233 119.800 -0.207 0.000 2.293 74 Q HA 0.191 4.531 4.340 0.000 0.000 0.263 74 Q C 0.020 175.763 176.000 -0.427 0.000 1.002 74 Q CA -0.404 55.035 55.803 -0.606 0.000 0.910 74 Q CB 1.376 29.857 28.738 -0.429 0.000 1.185 74 Q HN 0.801 nan 8.270 nan 0.000 0.401 75 L N 2.797 123.717 121.223 -0.504 0.000 2.168 75 L HA 0.060 4.400 4.340 0.000 0.000 0.203 75 L C 1.106 177.867 176.870 -0.182 0.000 1.078 75 L CA 1.305 55.977 54.840 -0.280 0.000 0.780 75 L CB -0.179 41.674 42.059 -0.344 0.000 0.939 75 L HN 0.736 nan 8.230 nan 0.000 0.451 76 T N -2.080 112.322 114.554 -0.254 0.000 2.907 76 T HA 0.666 5.016 4.350 0.000 0.000 0.292 76 T C -0.523 174.076 174.700 -0.168 0.000 1.043 76 T CA -0.828 61.175 62.100 -0.162 0.000 1.003 76 T CB 2.673 71.419 68.868 -0.204 0.000 1.084 76 T HN 0.252 nan 8.240 nan 0.000 0.483 77 E N 0.488 120.644 120.200 -0.075 0.000 2.410 77 E HA 0.696 5.046 4.350 0.000 0.000 0.269 77 E C 0.273 176.871 176.600 -0.003 0.000 0.937 77 E CA -1.203 55.166 56.400 -0.052 0.000 0.793 77 E CB 1.369 31.043 29.700 -0.043 0.000 1.314 77 E HN 1.451 nan 8.360 nan 0.000 0.447 78 G N 0.823 109.624 108.800 0.003 0.000 2.760 78 G HA2 -0.215 3.745 3.960 0.000 0.000 0.246 78 G HA3 -0.215 3.745 3.960 0.000 0.000 0.246 78 G C -0.785 174.134 174.900 0.031 0.000 1.359 78 G CA -0.083 45.029 45.100 0.021 0.000 0.861 78 G HN 0.857 nan 8.290 nan 0.000 0.541 79 K N -0.784 119.640 120.400 0.040 0.000 2.168 79 K HA 0.791 5.111 4.320 0.000 0.000 0.239 79 K C 1.083 177.726 176.600 0.073 0.000 0.999 79 K CA -0.176 56.140 56.287 0.049 0.000 0.900 79 K CB 1.714 34.239 32.500 0.041 0.000 1.111 79 K HN 2.456 nan 8.250 nan 0.000 0.452 80 G N 0.243 109.094 108.800 0.085 0.000 2.179 80 G HA2 -0.163 3.797 3.960 0.000 0.000 0.220 80 G HA3 -0.163 3.797 3.960 0.000 0.000 0.220 80 G C -0.957 174.045 174.900 0.170 0.000 0.990 80 G CA -0.021 45.145 45.100 0.110 0.000 0.646 80 G HN 0.661 nan 8.290 nan 0.000 0.517 81 D N 0.690 121.202 120.400 0.187 0.000 2.345 81 D HA 0.328 4.968 4.640 0.000 0.000 0.247 81 D C 0.222 176.671 176.300 0.249 0.000 1.108 81 D CA -0.254 53.924 54.000 0.295 0.000 0.894 81 D CB 0.767 41.666 40.800 0.165 0.000 1.203 81 D HN 0.192 nan 8.370 nan 0.000 0.430 82 N N 0.957 119.881 118.700 0.374 0.000 2.500 82 N HA 0.000 4.740 4.740 0.000 0.000 0.236 82 N C 0.391 176.094 175.510 0.322 0.000 1.022 82 N CA -0.196 53.061 53.050 0.346 0.000 0.935 82 N CB 0.577 39.291 38.487 0.379 0.000 1.147 82 N HN 0.267 nan 8.380 nan 0.000 0.512 83 T N 0.657 115.252 114.554 0.068 0.000 3.160 83 T HA 0.088 4.438 4.350 0.000 0.000 0.257 83 T C 1.145 175.664 174.700 -0.302 0.000 1.147 83 T CA 0.427 62.308 62.100 -0.366 0.000 1.064 83 T CB -0.364 68.179 68.868 -0.543 0.000 0.949 83 T HN 0.338 nan 8.240 nan 0.000 0.526 84 F N 1.397 121.361 119.950 0.023 0.000 2.453 84 F HA 0.414 4.941 4.527 0.000 0.000 0.284 84 F C 2.615 178.229 175.800 -0.310 0.000 1.065 84 F CA 0.108 57.899 58.000 -0.349 0.000 1.411 84 F CB -0.601 37.806 39.000 -0.988 0.000 1.131 84 F HN 0.266 nan 8.300 nan 0.000 0.582 85 G N 0.146 109.080 108.800 0.223 0.000 2.534 85 G HA2 0.077 4.037 3.960 0.000 0.000 0.217 85 G HA3 0.077 4.037 3.960 0.000 0.000 0.217 85 G C 1.159 176.350 174.900 0.484 0.000 1.128 85 G CA 0.401 45.733 45.100 0.387 0.000 0.784 85 G HN 0.427 nan 8.290 nan 0.000 0.542 86 G N 0.147 109.246 108.800 0.500 0.000 2.562 86 G HA2 0.391 4.351 3.960 0.000 0.000 0.233 86 G HA3 0.391 4.351 3.960 0.000 0.000 0.233 86 G C -0.458 174.699 174.900 0.429 0.000 1.266 86 G CA 0.292 45.626 45.100 0.390 0.000 0.852 86 G HN 0.737 nan 8.290 nan 0.000 0.581 87 F N -0.623 119.503 119.950 0.292 0.000 2.719 87 F HA 0.639 5.166 4.527 0.000 0.000 0.309 87 F C -0.868 175.125 175.800 0.322 0.000 1.138 87 F CA -1.764 56.382 58.000 0.244 0.000 0.943 87 F CB 0.959 40.083 39.000 0.206 0.000 1.304 87 F HN 0.416 nan 8.300 nan 0.000 0.445 88 I N 2.788 123.583 120.570 0.375 0.000 2.472 88 I HA 0.345 4.515 4.170 0.000 0.000 0.290 88 I C 0.628 176.990 176.117 0.408 0.000 1.016 88 I CA -0.681 60.792 61.300 0.288 0.000 1.348 88 I CB 1.823 39.944 38.000 0.203 0.000 1.417 88 I HN 0.873 nan 8.210 nan 0.000 0.521 89 S N 2.946 118.844 115.700 0.330 0.000 2.596 89 S HA 0.075 4.545 4.470 0.000 0.000 0.260 89 S C 1.027 175.784 174.600 0.261 0.000 1.336 89 S CA -0.435 57.982 58.200 0.362 0.000 0.993 89 S CB 1.008 64.401 63.200 0.323 0.000 0.923 89 S HN 0.680 nan 8.310 nan 0.000 0.567 90 T N 1.346 116.027 114.554 0.212 0.000 2.821 90 T HA -0.101 4.249 4.350 0.000 0.000 0.267 90 T C 1.401 176.182 174.700 0.135 0.000 1.046 90 T CA 1.509 63.702 62.100 0.156 0.000 1.139 90 T CB -0.606 68.327 68.868 0.109 0.000 0.871 90 T HN 0.898 nan 8.240 nan 0.000 0.454 91 D N 1.514 121.989 120.400 0.124 0.000 2.363 91 D HA -0.110 4.530 4.640 0.000 0.000 0.220 91 D C 0.438 176.794 176.300 0.094 0.000 0.994 91 D CA 0.345 54.403 54.000 0.096 0.000 0.890 91 D CB -0.457 40.392 40.800 0.081 0.000 0.906 91 D HN 0.505 nan 8.370 nan 0.000 0.530 92 E N -0.254 120.016 120.200 0.117 0.000 2.722 92 E HA -0.251 4.099 4.350 0.000 0.000 0.265 92 E C 0.442 177.086 176.600 0.074 0.000 1.081 92 E CA 0.351 56.815 56.400 0.106 0.000 0.781 92 E CB -1.398 28.361 29.700 0.098 0.000 1.372 92 E HN 0.497 nan 8.360 nan 0.000 0.423 93 R N -0.460 120.079 120.500 0.065 0.000 2.397 93 R HA 0.463 4.803 4.340 0.000 0.000 0.241 93 R C 0.445 176.748 176.300 0.006 0.000 0.914 93 R CA 0.702 56.821 56.100 0.031 0.000 1.071 93 R CB 1.176 31.490 30.300 0.024 0.000 1.116 93 R HN 0.188 nan 8.270 nan 0.000 0.524 94 A N 0.820 123.652 122.820 0.020 0.000 2.566 94 A HA 0.538 4.858 4.320 0.000 0.000 0.290 94 A C -1.712 175.876 177.584 0.007 0.000 1.071 94 A CA -0.873 51.132 52.037 -0.053 0.000 0.658 94 A CB 0.875 19.746 19.000 -0.215 0.000 1.285 94 A HN 0.175 nan 8.150 nan 0.000 0.427 95 F N -0.849 118.910 119.950 -0.318 0.000 2.603 95 F HA 0.956 5.483 4.527 0.000 0.000 0.317 95 F C -1.841 173.648 175.800 -0.517 0.000 1.066 95 F CA -1.750 56.055 58.000 -0.324 0.000 0.941 95 F CB 1.101 39.914 39.000 -0.312 0.000 1.291 95 F HN 0.396 nan 8.300 nan 0.000 0.472 96 F N 2.360 121.716 119.950 -0.990 0.000 2.546 96 F HA 0.712 5.239 4.527 0.000 0.000 0.320 96 F C -0.721 174.734 175.800 -0.574 0.000 1.076 96 F CA -1.029 56.429 58.000 -0.904 0.000 0.928 96 F CB 1.921 40.421 39.000 -0.833 0.000 1.189 96 F HN 0.687 nan 8.300 nan 0.000 0.465 97 Y N -1.025 119.040 120.300 -0.392 0.000 2.677 97 Y HA 0.776 5.326 4.550 0.000 0.000 0.334 97 Y C -2.284 173.628 175.900 0.021 0.000 1.196 97 Y CA -1.788 56.262 58.100 -0.083 0.000 1.059 97 Y CB 0.579 38.998 38.460 -0.068 0.000 1.315 97 Y HN 0.324 nan 8.280 nan 0.000 0.455 98 V N 2.880 122.836 119.914 0.071 0.000 2.435 98 V HA 0.489 4.609 4.120 0.000 0.000 0.290 98 V C -0.463 175.639 176.094 0.013 0.000 1.030 98 V CA -0.875 61.408 62.300 -0.029 0.000 0.881 98 V CB 1.393 33.358 31.823 0.238 0.000 0.983 98 V HN 0.749 nan 8.190 nan 0.000 0.445 99 K N 3.276 123.594 120.400 -0.136 0.000 2.270 99 K HA 0.436 4.756 4.320 0.000 0.000 0.255 99 K C 0.431 177.051 176.600 0.033 0.000 0.936 99 K CA -0.458 55.846 56.287 0.027 0.000 0.809 99 K CB 0.784 33.277 32.500 -0.012 0.000 1.131 99 K HN 0.784 nan 8.250 nan 0.000 0.427 100 N N 3.047 121.794 118.700 0.078 0.000 2.708 100 N HA -0.218 4.522 4.740 0.000 0.000 0.251 100 N C -1.012 174.525 175.510 0.044 0.000 1.123 100 N CA 1.042 54.123 53.050 0.052 0.000 0.739 100 N CB -0.767 37.733 38.487 0.023 0.000 1.113 100 N HN 0.864 nan 8.380 nan 0.000 0.561 101 E N -2.069 118.177 120.200 0.076 0.000 2.805 101 E HA -0.285 4.065 4.350 0.000 0.000 0.266 101 E C 0.449 177.083 176.600 0.058 0.000 1.092 101 E CA 1.114 57.568 56.400 0.088 0.000 0.781 101 E CB -1.025 28.713 29.700 0.062 0.000 1.379 101 E HN 0.616 nan 8.360 nan 0.000 0.433 102 L N -1.033 120.202 121.223 0.021 0.000 2.713 102 L HA 0.169 4.509 4.340 0.000 0.000 0.223 102 L C 0.446 177.266 176.870 -0.083 0.000 1.040 102 L CA -0.039 54.785 54.840 -0.027 0.000 0.894 102 L CB 0.253 42.284 42.059 -0.047 0.000 1.361 102 L HN 0.015 nan 8.230 nan 0.000 0.490 103 N N 1.396 120.040 118.700 -0.093 0.000 2.417 103 N HA 0.360 5.100 4.740 0.000 0.000 0.274 103 N C -0.819 174.577 175.510 -0.190 0.000 0.987 103 N CA -0.225 52.731 53.050 -0.157 0.000 0.912 103 N CB 2.914 41.304 38.487 -0.162 0.000 1.177 103 N HN 0.051 nan 8.380 nan 0.000 0.490 107 V N 3.046 122.533 119.914 -0.713 0.000 2.448 107 V HA 0.235 4.355 4.120 0.000 0.000 0.295 107 V C -0.181 175.769 176.094 -0.239 0.000 1.025 107 V CA -0.864 61.204 62.300 -0.387 0.000 0.859 107 V CB 1.541 33.181 31.823 -0.304 0.000 0.988 107 V HN 0.733 nan 8.190 nan 0.000 0.431 108 D N 3.724 124.030 120.400 -0.157 0.000 2.371 108 D HA 0.124 4.764 4.640 0.000 0.000 0.256 108 D C 0.977 177.252 176.300 -0.042 0.000 1.193 108 D CA 0.076 54.017 54.000 -0.097 0.000 0.881 108 D CB 1.425 42.177 40.800 -0.081 0.000 1.143 108 D HN 0.505 nan 8.370 nan 0.000 0.473 109 L N 3.038 124.251 121.223 -0.015 0.000 2.549 109 L HA -0.070 4.270 4.340 0.000 0.000 0.229 109 L C 2.098 178.955 176.870 -0.021 0.000 1.158 109 L CA 0.509 55.348 54.840 -0.003 0.000 0.842 109 L CB -0.006 42.057 42.059 0.006 0.000 0.952 109 L HN 0.454 nan 8.230 nan 0.000 0.452 110 E N -0.234 119.952 120.200 -0.024 0.000 2.075 110 E HA -0.067 4.283 4.350 0.000 0.000 0.193 110 E C 2.162 178.744 176.600 -0.030 0.000 0.950 110 E CA 1.629 58.015 56.400 -0.024 0.000 0.859 110 E CB 0.033 29.722 29.700 -0.019 0.000 0.846 110 E HN 0.356 nan 8.360 nan 0.000 0.467 111 T N -0.832 113.702 114.554 -0.034 0.000 3.055 111 T HA 0.023 4.373 4.350 0.000 0.000 0.265 111 T C 1.496 176.171 174.700 -0.041 0.000 1.111 111 T CA 0.657 62.736 62.100 -0.036 0.000 1.118 111 T CB -0.008 68.837 68.868 -0.037 0.000 0.909 111 T HN 0.292 nan 8.240 nan 0.000 0.501 112 L N -0.045 121.151 121.223 -0.044 0.000 4.759 112 L HA -0.169 4.171 4.340 0.000 0.000 0.419 112 L C 0.459 177.299 176.870 -0.050 0.000 1.093 112 L CA 0.615 55.429 54.840 -0.044 0.000 1.037 112 L CB -1.872 40.157 42.059 -0.049 0.000 2.095 112 L HN 0.620 nan 8.230 nan 0.000 0.739 113 E N 1.812 121.977 120.200 -0.059 0.000 2.392 113 E HA 0.204 4.554 4.350 0.000 0.000 0.264 113 E C -0.008 176.537 176.600 -0.091 0.000 1.024 113 E CA -0.065 56.296 56.400 -0.066 0.000 0.903 113 E CB 0.686 30.347 29.700 -0.064 0.000 0.963 113 E HN 0.251 nan 8.360 nan 0.000 0.432 114 E N 2.622 122.770 120.200 -0.087 0.000 2.207 114 E HA 0.247 4.597 4.350 0.000 0.000 0.270 114 E C -1.013 175.510 176.600 -0.130 0.000 0.927 114 E CA -0.638 55.692 56.400 -0.117 0.000 0.799 114 E CB 1.911 31.568 29.700 -0.072 0.000 1.172 114 E HN 0.452 nan 8.360 nan 0.000 0.404 115 Q N 1.211 120.905 119.800 -0.177 0.000 2.292 115 Q HA 0.310 4.650 4.340 0.000 0.000 0.270 115 Q C -1.179 174.717 176.000 -0.174 0.000 1.024 115 Q CA -0.666 55.045 55.803 -0.154 0.000 0.768 115 Q CB 2.938 31.586 28.738 -0.151 0.000 1.250 115 Q HN 0.330 nan 8.270 nan 0.000 0.447 116 V N 5.634 125.466 119.914 -0.137 0.000 2.405 116 V HA 0.183 4.303 4.120 0.000 0.000 0.264 116 V C 0.718 176.750 176.094 -0.102 0.000 1.048 116 V CA 0.160 62.373 62.300 -0.144 0.000 0.966 116 V CB -0.133 31.614 31.823 -0.126 0.000 1.015 116 V HN 0.880 nan 8.190 nan 0.000 0.477 117 I N 4.547 125.058 120.570 -0.098 0.000 3.226 117 I HA 0.400 4.570 4.170 0.000 0.000 0.277 117 I C 0.307 176.449 176.117 0.042 0.000 1.243 117 I CA 0.209 61.487 61.300 -0.036 0.000 1.459 117 I CB -0.091 37.898 38.000 -0.019 0.000 1.093 117 I HN 0.657 nan 8.210 nan 0.000 0.453 118 Y N 0.354 120.562 120.300 -0.153 0.000 2.521 118 Y HA 0.411 4.961 4.550 0.000 0.000 0.326 118 Y C -1.631 174.223 175.900 -0.077 0.000 1.176 118 Y CA -0.726 57.302 58.100 -0.119 0.000 1.079 118 Y CB 1.704 40.056 38.460 -0.180 0.000 1.341 118 Y HN -0.152 nan 8.280 nan 0.000 0.456 119 T N 5.828 119.887 114.554 -0.825 0.000 2.892 119 T HA 0.245 4.595 4.350 0.000 0.000 0.311 119 T C -0.916 173.272 174.700 -0.852 0.000 1.033 119 T CA -0.426 61.271 62.100 -0.672 0.000 0.991 119 T CB 1.021 69.713 68.868 -0.293 0.000 0.981 119 T HN 0.705 nan 8.240 nan 0.000 0.457 120 V N 3.872 123.341 119.914 -0.743 0.000 2.902 120 V HA -0.036 4.084 4.120 0.000 0.000 0.297 120 V C 0.630 176.676 176.094 -0.081 0.000 1.230 120 V CA 0.443 62.580 62.300 -0.272 0.000 1.344 120 V CB 0.450 32.289 31.823 0.026 0.000 0.889 120 V HN 0.881 nan 8.190 nan 0.000 0.515 121 D N 4.616 125.077 120.400 0.101 0.000 2.304 121 D HA 0.069 4.709 4.640 0.000 0.000 0.247 121 D C 0.972 177.371 176.300 0.164 0.000 1.089 121 D CA -0.351 53.737 54.000 0.148 0.000 0.910 121 D CB 1.341 42.289 40.800 0.247 0.000 1.199 121 D HN 0.751 nan 8.370 nan 0.000 0.426 122 E N 1.679 121.933 120.200 0.090 0.000 2.284 122 E HA -0.204 4.146 4.350 0.000 0.000 0.200 122 E C 1.116 177.739 176.600 0.037 0.000 1.008 122 E CA 1.030 57.459 56.400 0.048 0.000 0.829 122 E CB 0.339 30.052 29.700 0.023 0.000 0.744 122 E HN 0.526 nan 8.360 nan 0.000 0.491 123 E N -1.103 119.145 120.200 0.080 0.000 2.299 123 E HA -0.075 4.275 4.350 0.000 0.000 0.193 123 E C 0.262 176.694 176.600 -0.280 0.000 0.998 123 E CA 0.431 56.769 56.400 -0.102 0.000 0.851 123 E CB 0.106 29.741 29.700 -0.108 0.000 0.795 123 E HN 0.165 nan 8.360 nan 0.000 0.492 124 W N 0.470 121.784 121.300 0.023 0.000 2.804 124 W HA 0.460 5.120 4.660 0.000 0.000 0.352 124 W C -0.070 176.449 176.519 0.001 0.000 1.153 124 W CA -0.781 56.583 57.345 0.032 0.000 1.119 124 W CB 0.679 30.180 29.460 0.069 0.000 1.448 124 W HN -0.420 nan 8.180 nan 0.000 0.600 125 K N 0.306 120.870 120.400 0.275 0.000 2.471 125 K HA 0.604 4.924 4.320 0.000 0.000 0.252 125 K C -0.172 176.537 176.600 0.181 0.000 0.938 125 K CA -0.501 55.832 56.287 0.078 0.000 0.796 125 K CB 1.405 33.803 32.500 -0.170 0.000 1.161 125 K HN 0.552 nan 8.250 nan 0.000 0.425 126 G N 2.667 111.560 108.800 0.155 0.000 2.406 126 G HA2 0.276 4.236 3.960 0.000 0.000 0.251 126 G HA3 0.276 4.236 3.960 0.000 0.000 0.251 126 G C -1.453 173.597 174.900 0.251 0.000 1.271 126 G CA 0.130 45.352 45.100 0.203 0.000 0.859 126 G HN 0.563 nan 8.290 nan 0.000 0.540 127 Y N 1.684 122.050 120.300 0.109 0.000 2.433 127 Y HA 0.537 5.088 4.550 0.000 0.000 0.337 127 Y C 0.452 176.430 175.900 0.130 0.000 1.026 127 Y CA 0.454 58.660 58.100 0.177 0.000 1.037 127 Y CB 1.574 40.202 38.460 0.280 0.000 1.245 127 Y HN 1.490 nan 8.280 nan 0.000 0.443 128 G N 2.612 111.127 108.800 -0.474 0.000 2.587 128 G HA2 -0.039 3.921 3.960 0.000 0.000 0.212 128 G HA3 -0.039 3.921 3.960 0.000 0.000 0.212 128 G C -1.136 173.765 174.900 0.001 0.000 1.327 128 G CA -0.451 44.491 45.100 -0.264 0.000 0.898 128 G HN 0.801 nan 8.290 nan 0.000 0.551 129 T N 0.541 115.168 114.554 0.123 0.000 2.824 129 T HA 0.523 4.873 4.350 0.000 0.000 0.282 129 T C -0.393 174.449 174.700 0.235 0.000 0.993 129 T CA -0.109 62.162 62.100 0.284 0.000 0.967 129 T CB 1.152 70.315 68.868 0.491 0.000 0.960 129 T HN 0.548 nan 8.240 nan 0.000 0.441 130 W N 2.371 123.833 121.300 0.269 0.000 2.251 130 W HA 0.430 5.090 4.660 -0.000 0.000 0.327 130 W C -0.237 176.380 176.519 0.163 0.000 1.361 130 W CA -0.329 57.144 57.345 0.215 0.000 1.234 130 W CB 0.422 30.028 29.460 0.242 0.000 1.212 130 W HN 0.259 nan 8.180 nan 0.000 0.557 131 V N 4.409 124.511 119.914 0.313 0.000 2.407 131 V HA 0.569 4.689 4.120 0.000 0.000 0.291 131 V C 0.426 176.570 176.094 0.084 0.000 1.018 131 V CA -1.329 61.026 62.300 0.092 0.000 0.842 131 V CB 0.685 32.593 31.823 0.141 0.000 0.996 131 V HN 0.671 nan 8.190 nan 0.000 0.426 132 A N 5.027 127.707 122.820 -0.233 0.000 2.346 132 A HA 0.534 4.854 4.320 0.000 0.000 0.252 132 A C 0.456 177.952 177.584 -0.146 0.000 1.089 132 A CA -0.389 51.560 52.037 -0.147 0.000 0.797 132 A CB 0.216 19.075 19.000 -0.234 0.000 1.047 132 A HN 0.936 nan 8.150 nan 0.000 0.494 133 N N 0.070 118.572 118.700 -0.329 0.000 2.476 133 N HA 0.120 4.860 4.740 0.000 0.000 0.275 133 N C 0.649 175.932 175.510 -0.379 0.000 1.190 133 N CA 0.092 52.770 53.050 -0.619 0.000 0.977 133 N CB 1.053 38.910 38.487 -1.051 0.000 1.200 133 N HN 0.360 nan 8.380 nan 0.000 0.515 134 S N -0.101 115.348 115.700 -0.418 0.000 2.374 134 S HA -0.156 4.314 4.470 0.000 0.000 0.227 134 S C 0.749 175.231 174.600 -0.197 0.000 1.037 134 S CA 1.305 59.267 58.200 -0.398 0.000 1.024 134 S CB -0.281 62.490 63.200 -0.715 0.000 0.861 134 S HN 0.603 nan 8.310 nan 0.000 0.456 135 D N -0.444 119.859 120.400 -0.162 0.000 2.348 135 D HA 0.045 4.685 4.640 0.000 0.000 0.216 135 D C 0.734 177.005 176.300 -0.047 0.000 0.970 135 D CA 0.316 54.276 54.000 -0.067 0.000 0.889 135 D CB -0.237 40.526 40.800 -0.060 0.000 0.912 135 D HN 0.345 nan 8.370 nan 0.000 0.524 136 C N 0.933 120.177 119.300 -0.092 0.000 4.424 136 C HA -0.161 4.299 4.460 0.000 0.000 0.304 136 C C 1.782 176.754 174.990 -0.031 0.000 1.344 136 C CA 1.057 60.046 59.018 -0.048 0.000 2.033 136 C CB -2.439 25.338 27.740 0.061 0.000 1.264 136 C HN 0.536 nan 8.230 nan 0.000 0.750 137 T N -3.717 110.794 114.554 -0.073 0.000 2.958 137 T HA 0.320 4.670 4.350 0.000 0.000 0.256 137 T C 0.250 174.923 174.700 -0.045 0.000 0.983 137 T CA 0.221 62.299 62.100 -0.037 0.000 0.924 137 T CB 0.287 69.133 68.868 -0.035 0.000 1.136 137 T HN 0.694 nan 8.240 nan 0.000 0.506 138 K N 0.568 120.919 120.400 -0.082 0.000 2.469 138 K HA 0.728 5.048 4.320 0.000 0.000 0.254 138 K C -1.701 174.928 176.600 0.049 0.000 0.939 138 K CA -0.749 55.531 56.287 -0.011 0.000 0.812 138 K CB 2.798 35.314 32.500 0.028 0.000 1.301 138 K HN 0.072 nan 8.250 nan 0.000 0.433 139 L N 1.935 123.243 121.223 0.142 0.000 2.365 139 L HA 0.589 4.929 4.340 0.000 0.000 0.273 139 L C -0.893 176.255 176.870 0.463 0.000 1.000 139 L CA -1.186 53.816 54.840 0.270 0.000 0.819 139 L CB 2.056 44.163 42.059 0.079 0.000 1.284 139 L HN 0.336 nan 8.230 nan 0.000 0.418 140 V N 2.051 122.230 119.914 0.442 0.000 2.715 140 V HA 1.012 5.132 4.120 0.000 0.000 0.310 140 V C -0.133 175.964 176.094 0.005 0.000 1.054 140 V CA 0.123 62.508 62.300 0.142 0.000 0.928 140 V CB 1.834 33.500 31.823 -0.261 0.000 1.007 140 V HN 0.869 nan 8.190 nan 0.000 0.437 141 G N 4.564 113.160 108.800 -0.339 0.000 2.495 141 G HA2 0.582 4.542 3.960 0.000 0.000 0.294 141 G HA3 0.582 4.542 3.960 0.000 0.000 0.294 141 G C -1.587 173.042 174.900 -0.452 0.000 1.397 141 G CA -0.148 44.546 45.100 -0.677 0.000 0.790 141 G HN 1.458 nan 8.290 nan 0.000 0.486 142 I N -2.571 117.813 120.570 -0.311 0.000 3.002 142 I HA 0.956 5.126 4.170 0.000 0.000 0.310 142 I C -0.914 175.204 176.117 0.002 0.000 1.087 142 I CA -0.988 60.253 61.300 -0.099 0.000 1.017 142 I CB 2.594 40.650 38.000 0.093 0.000 1.226 142 I HN 0.574 nan 8.210 nan 0.000 0.443 143 E N 4.250 124.493 120.200 0.071 0.000 2.383 143 E HA 0.593 4.943 4.350 0.000 0.000 0.275 143 E C -1.483 175.349 176.600 0.386 0.000 0.918 143 E CA -0.803 55.728 56.400 0.219 0.000 0.764 143 E CB 3.139 32.927 29.700 0.148 0.000 1.252 143 E HN 0.519 nan 8.360 nan 0.000 0.449 144 I N 1.913 122.754 120.570 0.452 0.000 2.433 144 I HA 0.249 4.419 4.170 0.000 0.000 0.292 144 I C -0.155 176.163 176.117 0.334 0.000 1.001 144 I CA -0.952 60.590 61.300 0.402 0.000 1.119 144 I CB 1.504 39.701 38.000 0.327 0.000 1.289 144 I HN 0.348 nan 8.210 nan 0.000 0.438 145 L N 6.833 128.087 121.223 0.052 0.000 2.584 145 L HA 0.001 4.341 4.340 0.000 0.000 0.272 145 L C 1.540 178.327 176.870 -0.138 0.000 1.195 145 L CA 0.400 54.983 54.840 -0.428 0.000 0.920 145 L CB 0.343 42.051 42.059 -0.585 0.000 1.173 145 L HN 0.720 nan 8.230 nan 0.000 0.489 146 K N 3.388 123.700 120.400 -0.147 0.000 2.077 146 K HA -0.269 4.051 4.320 0.000 0.000 0.213 146 K C 1.868 178.491 176.600 0.039 0.000 1.051 146 K CA 2.058 58.331 56.287 -0.024 0.000 0.929 146 K CB -0.051 32.406 32.500 -0.071 0.000 0.715 146 K HN 0.649 nan 8.250 nan 0.000 0.451 147 R N 0.517 120.983 120.500 -0.055 0.000 2.105 147 R HA -0.141 4.199 4.340 0.000 0.000 0.239 147 R C 1.474 177.777 176.300 0.004 0.000 1.135 147 R CA 1.602 57.682 56.100 -0.033 0.000 0.967 147 R CB -0.222 30.023 30.300 -0.090 0.000 0.861 147 R HN 0.239 nan 8.270 nan 0.000 0.442 148 D N -1.027 119.372 120.400 -0.001 0.000 2.355 148 D HA -0.059 4.581 4.640 0.000 0.000 0.218 148 D C -0.012 176.395 176.300 0.177 0.000 1.004 148 D CA 0.247 54.255 54.000 0.013 0.000 0.880 148 D CB -0.053 40.707 40.800 -0.066 0.000 0.911 148 D HN 0.143 nan 8.370 nan 0.000 0.528 149 W N 2.191 123.506 121.300 0.025 0.000 2.190 149 W HA 0.220 4.880 4.660 0.000 0.000 0.330 149 W C -0.232 176.265 176.519 -0.038 0.000 1.299 149 W CA 0.135 57.481 57.345 0.001 0.000 1.215 149 W CB 0.452 29.884 29.460 -0.047 0.000 1.147 149 W HN -0.192 nan 8.180 nan 0.000 0.563 150 Q N 7.067 126.178 119.800 -1.148 0.000 2.289 150 Q HA 0.235 4.575 4.340 0.000 0.000 0.270 150 Q C -2.328 172.708 176.000 -1.607 0.000 1.038 150 Q CA -2.169 53.027 55.803 -1.012 0.000 0.812 150 Q CB 2.488 30.967 28.738 -0.431 0.000 1.300 150 Q HN 0.273 nan 8.270 nan 0.000 0.427 151 P HA 0.037 nan 4.420 nan 0.000 0.269 151 P C -0.500 176.531 177.300 -0.448 0.000 1.252 151 P CA 0.134 62.750 63.100 -0.805 0.000 0.780 151 P CB 0.365 31.878 31.700 -0.310 0.000 0.829 152 L N 3.826 124.823 121.223 -0.377 0.000 2.415 152 L HA 0.046 4.386 4.340 0.000 0.000 0.269 152 L C 1.698 178.562 176.870 -0.011 0.000 1.244 152 L CA -0.049 54.700 54.840 -0.152 0.000 1.113 152 L CB -0.781 41.261 42.059 -0.027 0.000 1.352 152 L HN 0.335 nan 8.230 nan 0.000 0.433 153 T N -0.616 113.930 114.554 -0.014 0.000 2.735 153 T HA -0.038 4.312 4.350 0.000 0.000 0.256 153 T C 1.027 175.773 174.700 0.076 0.000 1.042 153 T CA 1.234 63.355 62.100 0.035 0.000 1.147 153 T CB 0.186 69.067 68.868 0.022 0.000 0.865 153 T HN 0.671 nan 8.240 nan 0.000 0.421 154 S N -0.443 115.313 115.700 0.093 0.000 2.709 154 S HA 0.327 4.797 4.470 0.000 0.000 0.302 154 S C 0.398 175.127 174.600 0.217 0.000 1.127 154 S CA -0.958 57.331 58.200 0.148 0.000 0.905 154 S CB 1.030 64.312 63.200 0.138 0.000 1.151 154 S HN 0.470 nan 8.310 nan 0.000 0.510 155 W N 1.327 122.678 121.300 0.085 0.000 2.350 155 W HA -0.131 4.529 4.660 0.000 0.000 0.289 155 W C 0.899 177.536 176.519 0.197 0.000 1.215 155 W CA 2.161 59.583 57.345 0.130 0.000 1.236 155 W CB -0.542 28.948 29.460 0.050 0.000 1.130 155 W HN 0.864 nan 8.180 nan 0.000 0.541 156 E N 0.522 120.889 120.200 0.279 0.000 2.110 156 E HA -0.195 4.155 4.350 0.000 0.000 0.193 156 E C 2.042 178.681 176.600 0.064 0.000 0.988 156 E CA 1.381 57.886 56.400 0.175 0.000 0.804 156 E CB -0.370 29.431 29.700 0.168 0.000 0.745 156 E HN -0.063 nan 8.360 nan 0.000 0.458 157 K N -0.498 119.941 120.400 0.066 0.000 2.305 157 K HA 0.015 4.335 4.320 0.000 0.000 0.199 157 K C 1.736 178.347 176.600 0.018 0.000 1.047 157 K CA 0.205 56.504 56.287 0.019 0.000 0.976 157 K CB -0.184 32.312 32.500 -0.006 0.000 0.765 157 K HN 0.153 nan 8.250 nan 0.000 0.474 158 F N 1.694 121.557 119.950 -0.145 0.000 2.039 158 F HA -0.157 4.370 4.527 0.000 0.000 0.294 158 F C 2.107 177.830 175.800 -0.128 0.000 1.130 158 F CA 1.713 59.628 58.000 -0.142 0.000 1.189 158 F CB -0.552 38.248 39.000 -0.332 0.000 0.983 158 F HN -0.011 nan 8.300 nan 0.000 0.471 159 A N 0.000 122.613 122.820 -0.346 0.000 1.933 159 A HA -0.237 4.083 4.320 0.000 0.000 0.218 159 A C 2.036 179.545 177.584 -0.125 0.000 1.175 159 A CA 1.885 53.717 52.037 -0.342 0.000 0.628 159 A CB -1.067 17.797 19.000 -0.226 0.000 0.814 159 A HN 0.578 nan 8.150 nan 0.000 0.444 160 E N -0.386 119.797 120.200 -0.028 0.000 2.049 160 E HA -0.251 4.100 4.350 0.000 0.000 0.198 160 E C 1.656 178.240 176.600 -0.027 0.000 1.007 160 E CA 1.940 58.361 56.400 0.035 0.000 0.809 160 E CB -0.717 28.994 29.700 0.017 0.000 0.749 160 E HN 0.522 nan 8.360 nan 0.000 0.450 161 F N 0.066 119.852 119.950 -0.273 0.000 2.171 161 F HA -0.160 4.367 4.527 0.000 0.000 0.300 161 F C 2.219 177.784 175.800 -0.392 0.000 1.090 161 F CA 1.783 59.527 58.000 -0.427 0.000 1.293 161 F CB -0.789 37.793 39.000 -0.697 0.000 1.013 161 F HN 0.236 nan 8.300 nan 0.000 0.486 162 Y N 0.085 120.126 120.300 -0.432 0.000 2.165 162 Y HA -0.293 4.257 4.550 0.000 0.000 0.286 162 Y C 2.607 178.250 175.900 -0.427 0.000 1.155 162 Y CA 2.344 60.214 58.100 -0.383 0.000 1.164 162 Y CB -0.742 37.472 38.460 -0.410 0.000 0.978 162 Y HN 0.115 nan 8.280 nan 0.000 0.513 163 H N -1.685 117.264 119.070 -0.202 0.000 2.495 163 H HA -0.066 4.490 4.556 0.000 0.000 0.287 163 H C 2.058 177.186 175.328 -0.333 0.000 1.033 163 H CA 1.445 57.345 56.048 -0.248 0.000 1.307 163 H CB -0.531 29.191 29.762 -0.068 0.000 1.401 163 H HN 0.287 nan 8.280 nan 0.000 0.555 164 T N 0.947 115.322 114.554 -0.299 0.000 3.155 164 T HA -0.090 4.260 4.350 0.000 0.000 0.264 164 T C 0.097 174.547 174.700 -0.417 0.000 1.160 164 T CA -0.002 61.897 62.100 -0.335 0.000 1.075 164 T CB -0.644 67.998 68.868 -0.376 0.000 0.921 164 T HN 0.394 nan 8.240 nan 0.000 0.533 165 N N 2.053 120.458 118.700 -0.490 0.000 2.691 165 N HA -0.114 4.626 4.740 0.000 0.000 0.277 165 N C -2.786 172.474 175.510 -0.417 0.000 1.029 165 N CA 0.488 53.267 53.050 -0.452 0.000 0.798 165 N CB -0.170 38.125 38.487 -0.321 0.000 0.922 165 N HN 0.437 nan 8.380 nan 0.000 0.562 166 P HA 0.053 nan 4.420 nan 0.000 0.275 166 P C -0.096 177.067 177.300 -0.228 0.000 1.228 166 P CA -0.132 62.709 63.100 -0.432 0.000 0.786 166 P CB 1.156 32.438 31.700 -0.695 0.000 0.927 167 T N 2.731 117.204 114.554 -0.136 0.000 2.737 167 T HA 0.316 4.666 4.350 0.000 0.000 0.296 167 T C -0.451 174.305 174.700 0.094 0.000 0.922 167 T CA -0.138 61.934 62.100 -0.046 0.000 1.079 167 T CB -1.030 67.802 68.868 -0.059 0.000 0.892 167 T HN 0.368 nan 8.240 nan 0.000 0.514 168 C N 5.792 125.165 119.300 0.121 0.000 2.614 168 C HA 0.847 5.307 4.460 0.000 0.000 0.320 168 C C 0.007 175.069 174.990 0.119 0.000 1.200 168 C CA -1.099 58.045 59.018 0.210 0.000 1.700 168 C CB 1.420 29.267 27.740 0.179 0.000 2.275 168 C HN 1.056 nan 8.230 nan 0.000 0.492 169 R N 1.732 122.266 120.500 0.056 0.000 2.686 169 R HA 0.747 5.087 4.340 0.000 0.000 0.283 169 R C -1.690 174.499 176.300 -0.185 0.000 0.978 169 R CA -0.686 55.319 56.100 -0.158 0.000 0.897 169 R CB 1.199 31.276 30.300 -0.372 0.000 1.192 169 R HN 0.769 nan 8.270 nan 0.000 0.457 170 L N 5.836 126.929 121.223 -0.217 0.000 2.270 170 L HA 0.432 4.772 4.340 0.000 0.000 0.286 170 L C -0.242 176.494 176.870 -0.224 0.000 1.059 170 L CA -0.858 53.846 54.840 -0.226 0.000 0.839 170 L CB 0.549 42.423 42.059 -0.307 0.000 1.221 170 L HN 0.724 nan 8.230 nan 0.000 0.431 171 I N 1.792 122.223 120.570 -0.231 0.000 2.793 171 I HA 0.558 4.728 4.170 0.000 0.000 0.313 171 I C -0.828 175.221 176.117 -0.112 0.000 0.998 171 I CA -0.886 60.300 61.300 -0.191 0.000 1.140 171 I CB 1.756 39.627 38.000 -0.215 0.000 1.327 171 I HN 0.536 nan 8.210 nan 0.000 0.491 172 K N 3.267 123.631 120.400 -0.060 0.000 2.443 172 K HA 0.663 4.983 4.320 0.000 0.000 0.252 172 K C -2.006 174.601 176.600 0.011 0.000 0.933 172 K CA -0.598 55.705 56.287 0.026 0.000 0.792 172 K CB 2.354 34.862 32.500 0.013 0.000 1.185 172 K HN 0.649 nan 8.250 nan 0.000 0.425 173 V N 2.758 122.702 119.914 0.049 0.000 2.715 173 V HA 0.273 4.393 4.120 0.000 0.000 0.310 173 V C -0.570 175.501 176.094 -0.037 0.000 1.054 173 V CA -0.857 61.391 62.300 -0.086 0.000 0.928 173 V CB 1.777 33.428 31.823 -0.287 0.000 1.007 173 V HN 0.846 nan 8.190 nan 0.000 0.437 174 D N 3.200 123.574 120.400 -0.043 0.000 2.317 174 D HA 0.229 4.869 4.640 0.000 0.000 0.234 174 D C 0.918 177.207 176.300 -0.017 0.000 1.112 174 D CA -0.489 53.501 54.000 -0.016 0.000 0.840 174 D CB 1.508 42.304 40.800 -0.007 0.000 1.078 174 D HN 0.288 nan 8.370 nan 0.000 0.486 175 I N 3.151 123.718 120.570 -0.005 0.000 2.151 175 I HA -0.242 3.928 4.170 0.000 0.000 0.243 175 I C 2.131 178.265 176.117 0.028 0.000 1.080 175 I CA 1.187 62.506 61.300 0.031 0.000 1.339 175 I CB -0.772 37.276 38.000 0.081 0.000 1.039 175 I HN 0.544 nan 8.210 nan 0.000 0.409 176 E N 0.617 120.828 120.200 0.019 0.000 2.015 176 E HA -0.169 4.181 4.350 0.000 0.000 0.191 176 E C 2.284 178.888 176.600 0.007 0.000 0.991 176 E CA 2.257 58.665 56.400 0.013 0.000 0.802 176 E CB -0.438 29.268 29.700 0.011 0.000 0.759 176 E HN 0.614 nan 8.360 nan 0.000 0.447 177 T N -2.833 111.725 114.554 0.005 0.000 2.851 177 T HA 0.102 4.452 4.350 0.000 0.000 0.262 177 T C 1.632 176.337 174.700 0.009 0.000 1.043 177 T CA 1.631 63.734 62.100 0.006 0.000 1.140 177 T CB 0.037 68.908 68.868 0.005 0.000 0.872 177 T HN 0.317 nan 8.240 nan 0.000 0.446 178 G N 0.990 109.793 108.800 0.006 0.000 2.175 178 G HA2 -0.178 3.782 3.960 0.000 0.000 0.244 178 G HA3 -0.178 3.782 3.960 0.000 0.000 0.244 178 G C -0.176 174.738 174.900 0.023 0.000 0.982 178 G CA 0.037 45.149 45.100 0.020 0.000 0.641 178 G HN 0.619 nan 8.290 nan 0.000 0.527 179 E N 0.729 120.930 120.200 0.001 0.000 2.313 179 E HA 0.469 4.819 4.350 0.000 0.000 0.276 179 E C 1.171 177.742 176.600 -0.048 0.000 1.031 179 E CA -0.341 56.057 56.400 -0.003 0.000 0.857 179 E CB 1.263 30.964 29.700 0.000 0.000 1.040 179 E HN 0.752 nan 8.360 nan 0.000 0.408 180 L N -0.248 120.938 121.223 -0.062 0.000 2.375 180 L HA 0.597 4.937 4.340 0.000 0.000 0.268 180 L C 0.031 176.855 176.870 -0.078 0.000 1.058 180 L CA -0.632 54.134 54.840 -0.123 0.000 0.803 180 L CB 1.300 43.250 42.059 -0.181 0.000 1.212 180 L HN 0.382 nan 8.230 nan 0.000 0.451 181 E N 1.858 122.007 120.200 -0.086 0.000 2.361 181 E HA 0.297 4.647 4.350 0.000 0.000 0.270 181 E C -1.563 174.981 176.600 -0.093 0.000 0.911 181 E CA -0.695 55.665 56.400 -0.067 0.000 0.818 181 E CB 2.223 31.901 29.700 -0.037 0.000 1.332 181 E HN 0.624 nan 8.360 nan 0.000 0.402 182 V N 7.131 126.977 119.914 -0.113 0.000 2.425 182 V HA -0.021 4.099 4.120 0.000 0.000 0.276 182 V C 1.493 177.525 176.094 -0.104 0.000 1.017 182 V CA 0.577 62.791 62.300 -0.144 0.000 1.062 182 V CB -0.123 31.603 31.823 -0.161 0.000 0.997 182 V HN 0.691 nan 8.190 nan 0.000 0.476 183 I N 1.337 121.844 120.570 -0.104 0.000 3.728 183 I HA 0.386 4.556 4.170 0.000 0.000 0.307 183 I C 0.560 176.663 176.117 -0.022 0.000 1.276 183 I CA 0.418 61.680 61.300 -0.064 0.000 1.285 183 I CB 0.066 38.022 38.000 -0.074 0.000 1.038 183 I HN 0.696 nan 8.210 nan 0.000 0.445 184 H N 0.511 119.460 119.070 -0.203 0.000 3.156 184 H HA 0.438 4.994 4.556 0.000 0.000 0.319 184 H C -1.549 173.644 175.328 -0.226 0.000 1.067 184 H CA -0.504 55.404 56.048 -0.233 0.000 1.417 184 H CB 1.124 30.657 29.762 -0.381 0.000 2.050 184 H HN 0.304 nan 8.280 nan 0.000 0.473 185 Q N 2.811 122.147 119.800 -0.772 0.000 2.496 185 Q HA 0.637 4.977 4.340 0.000 0.000 0.286 185 Q C -1.651 173.992 176.000 -0.595 0.000 1.103 185 Q CA -0.796 54.706 55.803 -0.501 0.000 0.813 185 Q CB 2.235 30.840 28.738 -0.221 0.000 1.444 185 Q HN 0.674 nan 8.270 nan 0.000 0.443 186 D N -0.994 119.237 120.400 -0.281 0.000 2.884 186 D HA 0.064 4.704 4.640 0.000 0.000 0.255 186 D C -1.036 175.195 176.300 -0.115 0.000 1.142 186 D CA -0.107 53.774 54.000 -0.199 0.000 0.726 186 D CB 1.452 42.151 40.800 -0.169 0.000 1.436 186 D HN 0.555 nan 8.370 nan 0.000 0.441 187 T N -0.267 114.212 114.554 -0.125 0.000 3.393 187 T HA 0.669 5.019 4.350 0.000 0.000 0.248 187 T C 0.432 175.017 174.700 -0.192 0.000 0.992 187 T CA 0.049 62.064 62.100 -0.141 0.000 0.929 187 T CB -0.118 68.667 68.868 -0.138 0.000 1.065 187 T HN 0.512 nan 8.240 nan 0.000 0.597 188 A N 0.631 123.346 122.820 -0.174 0.000 2.384 188 A HA 0.611 4.931 4.320 0.000 0.000 0.312 188 A C -1.147 176.402 177.584 -0.057 0.000 1.113 188 A CA -1.029 50.873 52.037 -0.225 0.000 0.779 188 A CB 0.871 19.661 19.000 -0.351 0.000 1.307 188 A HN 0.483 nan 8.150 nan 0.000 0.436 189 W N 3.616 124.745 121.300 -0.284 0.000 2.546 189 W HA 0.490 5.150 4.660 0.000 0.000 0.323 189 W C -1.083 175.468 176.519 0.054 0.000 1.272 189 W CA -0.688 56.576 57.345 -0.135 0.000 1.404 189 W CB -0.402 28.971 29.460 -0.144 0.000 1.411 189 W HN 0.517 nan 8.180 nan 0.000 0.480 190 L N 5.737 127.199 121.223 0.398 0.000 2.400 190 L HA 0.955 5.295 4.340 0.000 0.000 0.264 190 L C 0.963 178.009 176.870 0.293 0.000 1.061 190 L CA -0.770 54.274 54.840 0.340 0.000 0.799 190 L CB 1.089 43.325 42.059 0.294 0.000 1.240 190 L HN 0.495 nan 8.230 nan 0.000 0.461 191 G N -2.136 106.853 108.800 0.315 0.000 2.441 191 G HA2 0.227 4.187 3.960 0.000 0.000 0.294 191 G HA3 0.227 4.187 3.960 0.000 0.000 0.294 191 G C -0.944 174.141 174.900 0.308 0.000 1.393 191 G CA -0.678 44.650 45.100 0.381 0.000 0.796 191 G HN 0.867 nan 8.290 nan 0.000 0.494 192 H N 0.221 119.371 119.070 0.133 0.000 2.499 192 H HA -0.126 4.430 4.556 0.000 0.000 0.321 192 H C -2.178 173.170 175.328 0.033 0.000 1.026 192 H CA 0.447 56.510 56.048 0.024 0.000 1.077 192 H CB -0.461 29.274 29.762 -0.045 0.000 1.612 192 H HN 0.340 nan 8.280 nan 0.000 0.374 193 P HA 0.249 nan 4.420 nan 0.000 0.281 193 P C -0.099 177.107 177.300 -0.158 0.000 1.252 193 P CA -0.096 62.958 63.100 -0.077 0.000 0.778 193 P CB 1.013 32.668 31.700 -0.076 0.000 0.895 194 I N 0.338 120.837 120.570 -0.117 0.000 2.586 194 I HA 0.371 4.541 4.170 0.000 0.000 0.288 194 I C -0.644 175.611 176.117 0.229 0.000 1.147 194 I CA -1.321 59.993 61.300 0.024 0.000 1.047 194 I CB 1.396 39.361 38.000 -0.058 0.000 1.244 194 I HN 0.172 nan 8.210 nan 0.000 0.429 195 Y N 4.060 124.418 120.300 0.096 0.000 2.497 195 Y HA 0.172 4.722 4.550 0.000 0.000 0.334 195 Y C 1.083 176.844 175.900 -0.233 0.000 1.199 195 Y CA -0.089 58.001 58.100 -0.016 0.000 1.425 195 Y CB 0.697 39.109 38.460 -0.080 0.000 1.291 195 Y HN 0.516 nan 8.280 nan 0.000 0.562 196 R N 6.061 126.412 120.500 -0.248 0.000 2.370 196 R HA 0.055 4.395 4.340 0.000 0.000 0.309 196 R C -1.938 173.989 176.300 -0.622 0.000 1.059 196 R CA -1.386 54.048 56.100 -1.110 0.000 0.981 196 R CB 0.686 30.468 30.300 -0.863 0.000 0.972 196 R HN 0.528 nan 8.270 nan 0.000 0.437 197 P HA -0.256 nan 4.420 nan 0.000 0.229 197 P C 0.035 177.049 177.300 -0.475 0.000 0.791 197 P CA 1.793 64.645 63.100 -0.413 0.000 1.091 197 P CB -0.079 31.506 31.700 -0.191 0.000 0.715 198 F N -1.182 118.673 119.950 -0.158 0.000 2.759 198 F HA 0.336 4.863 4.527 0.000 0.000 0.322 198 F C 0.249 175.978 175.800 -0.119 0.000 1.199 198 F CA 0.041 57.978 58.000 -0.104 0.000 1.272 198 F CB -0.581 38.393 39.000 -0.043 0.000 1.467 198 F HN -0.106 nan 8.300 nan 0.000 0.561 199 D N -0.086 120.276 120.400 -0.063 0.000 2.668 199 D HA 0.073 4.713 4.640 0.000 0.000 0.234 199 D C 0.184 176.459 176.300 -0.041 0.000 1.349 199 D CA -0.211 53.758 54.000 -0.051 0.000 0.889 199 D CB 0.261 41.015 40.800 -0.078 0.000 1.520 199 D HN -0.014 nan 8.370 nan 0.000 0.521 200 D N 0.290 120.663 120.400 -0.044 0.000 2.354 200 D HA -0.136 4.504 4.640 0.000 0.000 0.216 200 D C 1.775 178.179 176.300 0.175 0.000 0.970 200 D CA 0.773 54.792 54.000 0.032 0.000 0.905 200 D CB 0.215 40.972 40.800 -0.072 0.000 0.903 200 D HN 0.365 nan 8.370 nan 0.000 0.508 201 S N -0.665 115.084 115.700 0.082 0.000 2.368 201 S HA -0.088 4.382 4.470 0.000 0.000 0.225 201 S C 0.896 175.547 174.600 0.085 0.000 1.030 201 S CA 0.845 59.090 58.200 0.075 0.000 0.999 201 S CB -0.048 63.177 63.200 0.042 0.000 0.844 201 S HN 0.147 nan 8.310 nan 0.000 0.459 202 T N 1.953 116.551 114.554 0.072 0.000 2.837 202 T HA 0.617 4.967 4.350 0.000 0.000 0.285 202 T C -0.976 173.789 174.700 0.108 0.000 0.984 202 T CA -0.512 61.639 62.100 0.085 0.000 1.049 202 T CB 1.669 70.572 68.868 0.057 0.000 0.947 202 T HN 0.043 nan 8.240 nan 0.000 0.472 203 V N 2.532 122.517 119.914 0.119 0.000 2.462 203 V HA 0.579 4.699 4.120 0.000 0.000 0.288 203 V C 0.568 176.790 176.094 0.212 0.000 1.020 203 V CA -1.009 61.331 62.300 0.066 0.000 0.857 203 V CB 1.674 33.398 31.823 -0.165 0.000 1.013 203 V HN 1.073 nan 8.190 nan 0.000 0.431 204 G N 3.919 112.907 108.800 0.314 0.000 2.372 204 G HA2 0.693 4.653 3.960 0.000 0.000 0.283 204 G HA3 0.693 4.653 3.960 0.000 0.000 0.283 204 G C -0.849 174.111 174.900 0.099 0.000 1.177 204 G CA -0.194 45.000 45.100 0.156 0.000 0.842 204 G HN 0.740 nan 8.290 nan 0.000 0.503 205 F N 0.133 120.026 119.950 -0.095 0.000 2.980 205 F HA 0.812 5.339 4.527 0.000 0.000 0.335 205 F C -0.167 175.599 175.800 -0.057 0.000 1.210 205 F CA -1.331 56.607 58.000 -0.103 0.000 0.986 205 F CB 1.131 40.074 39.000 -0.096 0.000 1.469 205 F HN 0.825 nan 8.300 nan 0.000 0.519 206 C N -0.838 118.406 119.300 -0.094 0.000 3.306 206 C HA 0.597 5.057 4.460 0.000 0.000 0.335 206 C C -1.854 173.119 174.990 -0.029 0.000 1.382 206 C CA -0.733 58.157 59.018 -0.213 0.000 1.254 206 C CB 1.382 29.085 27.740 -0.061 0.000 1.555 206 C HN 1.055 nan 8.230 nan 0.000 0.463 207 H N 1.356 120.443 119.070 0.029 0.000 2.517 207 H HA 0.593 5.149 4.556 0.000 0.000 0.317 207 H C 0.170 175.454 175.328 -0.073 0.000 1.080 207 H CA 0.086 56.143 56.048 0.015 0.000 1.301 207 H CB 1.212 31.023 29.762 0.082 0.000 1.425 207 H HN 0.632 nan 8.280 nan 0.000 0.471 208 E N 1.001 121.103 120.200 -0.164 0.000 2.351 208 E HA 0.529 4.879 4.350 0.000 0.000 0.255 208 E C 0.816 177.203 176.600 -0.354 0.000 1.188 208 E CA -0.305 55.760 56.400 -0.559 0.000 0.940 208 E CB 1.384 30.046 29.700 -1.731 0.000 1.094 208 E HN 0.905 nan 8.360 nan 0.000 0.474 209 G N 0.740 109.275 108.800 -0.440 0.000 2.423 209 G HA2 -0.083 3.877 3.960 0.000 0.000 0.684 209 G HA3 -0.083 3.877 3.960 0.000 0.000 0.684 209 G C -2.760 172.059 174.900 -0.135 0.000 1.309 209 G CA -0.879 43.952 45.100 -0.448 0.000 0.950 209 G HN 0.417 nan 8.290 nan 0.000 0.587 210 P HA 0.081 nan 4.420 nan 0.000 0.264 210 P C 0.868 178.236 177.300 0.115 0.000 1.183 210 P CA 0.660 63.844 63.100 0.140 0.000 0.763 210 P CB -0.092 31.668 31.700 0.100 0.000 0.807 211 H N 0.367 119.456 119.070 0.030 0.000 2.560 211 H HA -0.086 4.470 4.556 0.000 0.000 0.283 211 H C 0.326 175.656 175.328 0.004 0.000 1.028 211 H CA 0.392 56.435 56.048 -0.008 0.000 1.221 211 H CB -0.057 29.698 29.762 -0.012 0.000 1.363 211 H HN 0.247 nan 8.280 nan 0.000 0.594 212 D N 1.935 122.360 120.400 0.042 0.000 2.278 212 D HA -0.018 4.622 4.640 0.000 0.000 0.228 212 D C 1.594 177.881 176.300 -0.023 0.000 1.020 212 D CA 0.839 54.800 54.000 -0.065 0.000 0.922 212 D CB -0.226 40.581 40.800 0.012 0.000 1.051 212 D HN 0.482 nan 8.370 nan 0.000 0.452 213 L N 0.659 121.864 121.223 -0.030 0.000 2.803 213 L HA 0.350 4.690 4.340 0.000 0.000 0.241 213 L C -0.024 176.800 176.870 -0.077 0.000 1.404 213 L CA -0.328 54.499 54.840 -0.022 0.000 1.211 213 L CB -0.179 41.900 42.059 0.033 0.000 1.585 213 L HN -0.225 nan 8.230 nan 0.000 0.430 214 V N 0.789 120.676 119.914 -0.045 0.000 2.623 214 V HA 0.247 4.367 4.120 0.000 0.000 0.304 214 V C 0.540 176.636 176.094 0.004 0.000 1.054 214 V CA -0.454 61.860 62.300 0.024 0.000 0.882 214 V CB 1.904 33.715 31.823 -0.021 0.000 1.002 214 V HN 0.554 nan 8.190 nan 0.000 0.424 215 D N 5.681 126.121 120.400 0.067 0.000 2.126 215 D HA 0.037 4.677 4.640 0.000 0.000 0.190 215 D C 0.538 176.725 176.300 -0.188 0.000 1.001 215 D CA 1.923 55.910 54.000 -0.021 0.000 0.841 215 D CB 0.057 40.941 40.800 0.140 0.000 0.949 215 D HN 1.292 nan 8.370 nan 0.000 0.446 216 A N -1.056 121.773 122.820 0.016 0.000 2.586 216 A HA 0.554 4.874 4.320 0.000 0.000 0.298 216 A C -0.832 176.783 177.584 0.052 0.000 1.013 216 A CA -0.730 51.229 52.037 -0.130 0.000 0.707 216 A CB 0.777 19.558 19.000 -0.364 0.000 1.276 216 A HN 0.340 nan 8.150 nan 0.000 0.414 220 L N 2.068 123.266 121.223 -0.042 0.000 2.434 220 L HA 0.917 5.257 4.340 0.000 0.000 0.260 220 L C -1.313 175.691 176.870 0.224 0.000 0.983 220 L CA -1.030 53.869 54.840 0.099 0.000 0.820 220 L CB 2.302 44.400 42.059 0.065 0.000 1.361 220 L HN 0.296 nan 8.230 nan 0.000 0.410 221 V N 2.541 122.588 119.914 0.220 0.000 3.098 221 V HA 0.527 4.647 4.120 0.000 0.000 0.294 221 V C -1.071 175.079 176.094 0.093 0.000 1.351 221 V CA -0.688 61.703 62.300 0.152 0.000 0.999 221 V CB 2.563 34.451 31.823 0.108 0.000 1.104 221 V HN 0.879 nan 8.190 nan 0.000 0.438 222 N N 2.726 121.466 118.700 0.067 0.000 2.467 222 N HA 0.283 5.023 4.740 0.000 0.000 0.262 222 N C 0.929 176.458 175.510 0.032 0.000 1.234 222 N CA 0.317 53.400 53.050 0.054 0.000 0.952 222 N CB 0.794 39.312 38.487 0.052 0.000 1.158 222 N HN 0.864 nan 8.380 nan 0.000 0.463 223 E N 0.541 120.767 120.200 0.043 0.000 2.160 223 E HA -0.271 4.079 4.350 0.000 0.000 0.195 223 E C 0.780 177.394 176.600 0.023 0.000 0.991 223 E CA 1.309 57.731 56.400 0.037 0.000 0.810 223 E CB 0.044 29.803 29.700 0.098 0.000 0.742 223 E HN 0.710 nan 8.360 nan 0.000 0.466 224 D N -1.333 119.085 120.400 0.030 0.000 2.264 224 D HA -0.105 4.535 4.640 0.000 0.000 0.208 224 D C 1.367 177.678 176.300 0.017 0.000 0.966 224 D CA 1.247 55.261 54.000 0.023 0.000 0.864 224 D CB 0.236 41.052 40.800 0.027 0.000 0.933 224 D HN 0.380 nan 8.370 nan 0.000 0.499 225 G N 0.167 108.978 108.800 0.019 0.000 2.192 225 G HA2 -0.216 3.744 3.960 0.000 0.000 0.193 225 G HA3 -0.216 3.744 3.960 0.000 0.000 0.193 225 G C 0.317 175.245 174.900 0.047 0.000 0.999 225 G CA 0.346 45.462 45.100 0.026 0.000 0.659 225 G HN 0.797 nan 8.290 nan 0.000 0.503 226 S N -0.878 114.849 115.700 0.044 0.000 2.747 226 S HA 0.645 5.115 4.470 0.000 0.000 0.300 226 S C 0.511 175.147 174.600 0.061 0.000 1.121 226 S CA 0.402 58.634 58.200 0.054 0.000 0.995 226 S CB 1.300 64.527 63.200 0.045 0.000 1.113 226 S HN 0.933 nan 8.310 nan 0.000 0.547 227 N N -0.948 117.793 118.700 0.068 0.000 2.758 227 N HA -0.117 4.623 4.740 0.000 0.000 0.248 227 N C -0.966 174.606 175.510 0.103 0.000 1.076 227 N CA 0.201 53.296 53.050 0.076 0.000 0.696 227 N CB -1.184 37.340 38.487 0.063 0.000 0.979 227 N HN 0.479 nan 8.380 nan 0.000 0.550 228 V N 1.227 121.216 119.914 0.124 0.000 2.450 228 V HA 0.131 4.251 4.120 0.000 0.000 0.281 228 V C 0.685 176.947 176.094 0.279 0.000 1.019 228 V CA 0.633 63.047 62.300 0.191 0.000 1.062 228 V CB 0.330 32.232 31.823 0.131 0.000 0.979 228 V HN 0.334 nan 8.190 nan 0.000 0.477 229 R N 3.922 124.587 120.500 0.274 0.000 2.799 229 R HA 0.684 5.025 4.340 0.000 0.000 0.270 229 R C -1.039 175.125 176.300 -0.226 0.000 1.010 229 R CA -1.256 54.898 56.100 0.090 0.000 0.916 229 R CB 1.036 31.340 30.300 0.007 0.000 1.228 229 R HN 0.589 nan 8.270 nan 0.000 0.469 230 K N 0.962 120.996 120.400 -0.610 0.000 2.183 230 K HA 0.381 4.701 4.320 0.000 0.000 0.274 230 K C 0.175 176.460 176.600 -0.525 0.000 1.009 230 K CA -0.718 54.993 56.287 -0.959 0.000 0.888 230 K CB 1.364 33.170 32.500 -1.157 0.000 1.078 230 K HN 0.579 nan 8.250 nan 0.000 0.459 231 I N 0.624 120.892 120.570 -0.503 0.000 2.194 231 I HA -0.240 3.930 4.170 0.000 0.000 0.246 231 I C 1.093 177.035 176.117 -0.292 0.000 1.093 231 I CA 1.465 62.559 61.300 -0.345 0.000 1.355 231 I CB -0.167 37.595 38.000 -0.396 0.000 1.046 231 I HN 0.694 nan 8.210 nan 0.000 0.413 232 K N 0.504 120.689 120.400 -0.357 0.000 2.385 232 K HA 0.131 4.451 4.320 0.000 0.000 0.248 232 K C 0.632 177.096 176.600 -0.227 0.000 0.955 232 K CA -0.470 55.663 56.287 -0.256 0.000 0.816 232 K CB 2.024 34.353 32.500 -0.284 0.000 1.250 232 K HN -0.081 nan 8.250 nan 0.000 0.434 233 E N 1.840 121.956 120.200 -0.140 0.000 2.268 233 E HA -0.208 4.142 4.350 0.000 0.000 0.195 233 E C -0.667 175.931 176.600 -0.003 0.000 0.995 233 E CA 0.795 57.141 56.400 -0.090 0.000 0.836 233 E CB -0.010 29.655 29.700 -0.058 0.000 0.763 233 E HN 0.735 nan 8.360 nan 0.000 0.491 234 H N -1.265 117.705 119.070 -0.167 0.000 3.665 234 H HA -0.158 4.398 4.556 0.000 0.000 0.316 234 H C -1.451 173.833 175.328 -0.074 0.000 0.870 234 H CA 0.314 56.276 56.048 -0.143 0.000 0.947 234 H CB -1.314 28.351 29.762 -0.162 0.000 1.453 234 H HN 0.211 nan 8.280 nan 0.000 0.339 235 A N 4.975 127.561 122.820 -0.390 0.000 2.388 235 A HA 0.359 4.679 4.320 0.000 0.000 0.257 235 A C 0.254 177.562 177.584 -0.460 0.000 1.095 235 A CA -0.195 51.677 52.037 -0.276 0.000 0.791 235 A CB 0.325 19.293 19.000 -0.054 0.000 1.029 235 A HN 0.665 nan 8.150 nan 0.000 0.489 236 E N 0.834 120.897 120.200 -0.229 0.000 2.491 236 E HA 0.357 4.707 4.350 0.000 0.000 0.250 236 E C 1.125 177.667 176.600 -0.095 0.000 1.061 236 E CA 1.673 57.990 56.400 -0.137 0.000 0.942 236 E CB -0.117 29.565 29.700 -0.030 0.000 0.957 236 E HN 1.250 nan 8.360 nan 0.000 0.480 237 G N 3.049 111.788 108.800 -0.103 0.000 2.218 237 G HA2 -0.292 3.668 3.960 0.000 0.000 0.216 237 G HA3 -0.292 3.668 3.960 0.000 0.000 0.216 237 G C 0.182 175.047 174.900 -0.059 0.000 0.994 237 G CA -0.061 45.022 45.100 -0.030 0.000 0.637 237 G HN 0.522 nan 8.290 nan 0.000 0.505 238 E N 1.230 121.321 120.200 -0.182 0.000 2.229 238 E HA 0.600 4.950 4.350 0.000 0.000 0.283 238 E C -0.511 175.957 176.600 -0.221 0.000 1.030 238 E CA -0.198 56.006 56.400 -0.327 0.000 0.836 238 E CB 0.680 30.146 29.700 -0.389 0.000 1.068 238 E HN 0.130 nan 8.360 nan 0.000 0.401 239 S N 3.252 118.848 115.700 -0.173 0.000 2.472 239 S HA 0.416 4.886 4.470 0.000 0.000 0.303 239 S C -0.911 173.663 174.600 -0.043 0.000 1.099 239 S CA -0.739 57.436 58.200 -0.042 0.000 1.077 239 S CB 1.132 64.341 63.200 0.016 0.000 1.031 239 S HN 0.547 nan 8.310 nan 0.000 0.487 240 C N 2.031 121.309 119.300 -0.036 0.000 2.411 240 C HA 0.969 5.429 4.460 0.000 0.000 0.330 240 C C 0.701 175.658 174.990 -0.055 0.000 1.224 240 C CA -0.455 58.541 59.018 -0.036 0.000 1.770 240 C CB 1.176 28.779 27.740 -0.228 0.000 2.297 240 C HN 0.921 nan 8.230 nan 0.000 0.507 241 T N -0.275 114.269 114.554 -0.017 0.000 2.677 241 T HA 0.421 4.771 4.350 0.000 0.000 0.305 241 T C -0.687 174.010 174.700 -0.006 0.000 1.569 241 T CA -0.184 61.832 62.100 -0.140 0.000 0.984 241 T CB 0.506 69.136 68.868 -0.397 0.000 1.629 241 T HN 0.913 nan 8.240 nan 0.000 0.494 242 H N -0.186 118.947 119.070 0.104 0.000 2.992 242 H HA -0.087 4.469 4.556 0.000 0.000 0.266 242 H C 0.411 175.934 175.328 0.325 0.000 1.200 242 H CA 1.154 57.315 56.048 0.188 0.000 1.135 242 H CB -1.736 28.138 29.762 0.185 0.000 1.282 242 H HN 0.799 nan 8.280 nan 0.000 0.351 243 E N 1.346 121.725 120.200 0.299 0.000 2.415 243 E HA 0.285 4.635 4.350 0.000 0.000 0.262 243 E C 0.279 177.066 176.600 0.313 0.000 1.038 243 E CA 0.139 56.663 56.400 0.207 0.000 0.921 243 E CB 0.558 30.237 29.700 -0.035 0.000 0.950 243 E HN 0.380 nan 8.360 nan 0.000 0.438 244 F N -1.041 118.920 119.950 0.018 0.000 2.690 244 F HA 0.447 4.974 4.527 0.000 0.000 0.311 244 F C -1.702 174.104 175.800 0.010 0.000 1.111 244 F CA -1.650 56.362 58.000 0.021 0.000 1.003 244 F CB 0.342 39.459 39.000 0.195 0.000 1.283 244 F HN 0.391 nan 8.300 nan 0.000 0.442 245 W N 4.238 125.611 121.300 0.121 0.000 2.216 245 W HA 0.527 5.187 4.660 -0.000 0.000 0.326 245 W C 0.096 176.696 176.519 0.136 0.000 1.319 245 W CA -0.571 56.796 57.345 0.037 0.000 1.213 245 W CB 0.831 30.326 29.460 0.058 0.000 1.171 245 W HN 0.425 nan 8.180 nan 0.000 0.557 246 I N 6.224 126.996 120.570 0.336 0.000 2.496 246 I HA -0.008 4.162 4.170 0.000 0.000 0.285 246 I C -1.196 175.032 176.117 0.186 0.000 1.080 246 I CA -1.636 59.820 61.300 0.260 0.000 1.404 246 I CB 0.862 38.931 38.000 0.116 0.000 1.403 246 I HN 0.229 nan 8.210 nan 0.000 0.539 247 P HA -0.284 nan 4.420 nan 0.000 0.222 247 P C 0.872 178.045 177.300 -0.212 0.000 1.159 247 P CA 1.686 64.816 63.100 0.050 0.000 0.920 247 P CB -0.038 31.749 31.700 0.146 0.000 0.793 248 D N -2.156 117.821 120.400 -0.705 0.000 2.371 248 D HA 0.009 4.649 4.640 0.000 0.000 0.221 248 D C 1.391 177.676 176.300 -0.026 0.000 0.986 248 D CA 1.069 54.728 54.000 -0.569 0.000 0.899 248 D CB -1.141 39.195 40.800 -0.774 0.000 0.902 248 D HN 0.322 nan 8.370 nan 0.000 0.530 249 G N 0.196 108.990 108.800 -0.010 0.000 2.143 249 G HA2 -0.373 3.587 3.960 0.000 0.000 0.249 249 G HA3 -0.373 3.587 3.960 0.000 0.000 0.249 249 G C 1.157 176.056 174.900 -0.002 0.000 0.981 249 G CA 1.103 46.186 45.100 -0.029 0.000 0.665 249 G HN 0.706 nan 8.290 nan 0.000 0.528 250 S N -0.991 114.718 115.700 0.014 0.000 2.419 250 S HA 0.535 5.005 4.470 0.000 0.000 0.233 250 S C 1.228 175.886 174.600 0.097 0.000 1.016 250 S CA 1.884 60.102 58.200 0.030 0.000 0.974 250 S CB 0.084 63.285 63.200 0.000 0.000 0.786 250 S HN 2.316 nan 8.310 nan 0.000 0.492 254 Y N -1.408 118.834 120.300 -0.096 0.000 2.764 254 Y HA 0.827 5.377 4.550 0.000 0.000 0.331 254 Y C -1.330 174.659 175.900 0.149 0.000 1.280 254 Y CA -1.534 56.593 58.100 0.045 0.000 1.065 254 Y CB 0.809 39.248 38.460 -0.035 0.000 1.319 254 Y HN 0.735 nan 8.280 nan 0.000 0.453 255 V N 2.216 122.309 119.914 0.299 0.000 2.540 255 V HA 0.726 4.846 4.120 0.000 0.000 0.302 255 V C -0.606 175.637 176.094 0.249 0.000 1.035 255 V CA -0.268 62.163 62.300 0.220 0.000 0.873 255 V CB 1.504 33.505 31.823 0.297 0.000 0.992 255 V HN 0.994 nan 8.190 nan 0.000 0.428 256 S N 3.853 119.660 115.700 0.178 0.000 2.566 256 S HA 0.816 5.286 4.470 0.000 0.000 0.298 256 S C -1.333 173.217 174.600 -0.082 0.000 1.083 256 S CA -0.726 57.480 58.200 0.010 0.000 0.978 256 S CB 2.024 65.140 63.200 -0.139 0.000 1.073 256 S HN 0.736 nan 8.310 nan 0.000 0.491 257 Y N 1.520 121.608 120.300 -0.354 0.000 2.373 257 Y HA 0.654 5.204 4.550 0.000 0.000 0.336 257 Y C -2.026 173.630 175.900 -0.406 0.000 0.979 257 Y CA -1.409 56.536 58.100 -0.258 0.000 1.080 257 Y CB 1.138 39.555 38.460 -0.072 0.000 1.190 257 Y HN 0.724 nan 8.280 nan 0.000 0.446 258 F N 5.215 124.886 119.950 -0.466 0.000 2.415 258 F HA 0.382 4.909 4.527 0.000 0.000 0.348 258 F C -0.035 175.516 175.800 -0.415 0.000 1.119 258 F CA -1.109 56.705 58.000 -0.310 0.000 1.069 258 F CB 1.270 40.131 39.000 -0.231 0.000 1.124 258 F HN 0.380 nan 8.300 nan 0.000 0.472 259 K N 1.381 121.808 120.400 0.045 0.000 2.419 259 K HA 0.466 4.786 4.320 0.000 0.000 0.282 259 K C 0.746 177.368 176.600 0.036 0.000 1.056 259 K CA 0.374 56.725 56.287 0.107 0.000 1.035 259 K CB 0.094 32.663 32.500 0.114 0.000 0.921 259 K HN 0.969 nan 8.250 nan 0.000 0.472 260 G N 2.071 110.883 108.800 0.020 0.000 2.134 260 G HA2 -0.270 3.690 3.960 0.000 0.000 0.209 260 G HA3 -0.270 3.690 3.960 0.000 0.000 0.209 260 G C 0.408 175.280 174.900 -0.047 0.000 0.993 260 G CA 0.308 45.408 45.100 0.001 0.000 0.669 260 G HN 0.707 nan 8.290 nan 0.000 0.519 261 Q N -0.567 119.164 119.800 -0.114 0.000 2.185 261 Q HA 0.253 4.593 4.340 0.000 0.000 0.234 261 Q C 1.450 177.383 176.000 -0.111 0.000 0.819 261 Q CA 1.088 56.819 55.803 -0.120 0.000 0.961 261 Q CB 0.503 29.172 28.738 -0.116 0.000 1.140 261 Q HN 0.654 nan 8.270 nan 0.000 0.492 262 T N 1.105 115.595 114.554 -0.106 0.000 3.866 262 T HA -0.222 4.128 4.350 0.000 0.000 0.344 262 T C -1.244 173.499 174.700 0.071 0.000 0.760 262 T CA 1.732 63.871 62.100 0.065 0.000 1.852 262 T CB -0.987 67.926 68.868 0.075 0.000 1.891 262 T HN 0.506 nan 8.240 nan 0.000 0.783 263 D N -0.174 120.205 120.400 -0.035 0.000 2.936 263 D HA 0.484 5.124 4.640 0.000 0.000 0.238 263 D C -0.402 175.941 176.300 0.071 0.000 1.248 263 D CA -0.615 53.410 54.000 0.042 0.000 0.903 263 D CB 1.151 41.960 40.800 0.015 0.000 1.544 263 D HN 0.261 nan 8.370 nan 0.000 0.543 264 R N 0.811 121.404 120.500 0.155 0.000 2.297 264 R HA 0.704 5.044 4.340 0.000 0.000 0.308 264 R C -0.530 175.834 176.300 0.107 0.000 1.029 264 R CA -0.910 55.300 56.100 0.182 0.000 0.929 264 R CB 1.260 31.683 30.300 0.204 0.000 1.046 264 R HN 0.259 nan 8.270 nan 0.000 0.461 265 V N 0.640 120.628 119.914 0.123 0.000 2.656 265 V HA 0.559 4.679 4.120 0.000 0.000 0.307 265 V C 0.088 176.177 176.094 -0.009 0.000 1.051 265 V CA -1.122 61.198 62.300 0.034 0.000 0.893 265 V CB 1.626 33.457 31.823 0.014 0.000 0.999 265 V HN 0.610 nan 8.190 nan 0.000 0.426 266 I N 4.045 124.548 120.570 -0.111 0.000 2.575 266 I HA 0.396 4.566 4.170 0.000 0.000 0.285 266 I C -0.680 175.218 176.117 -0.364 0.000 1.085 266 I CA 0.089 61.304 61.300 -0.141 0.000 1.403 266 I CB 0.629 38.582 38.000 -0.079 0.000 1.409 266 I HN 0.632 nan 8.210 nan 0.000 0.557 267 Y N 4.146 124.149 120.300 -0.495 0.000 2.512 267 Y HA 0.449 4.999 4.550 0.000 0.000 0.348 267 Y C -0.342 175.246 175.900 -0.520 0.000 0.990 267 Y CA -0.868 56.873 58.100 -0.599 0.000 1.033 267 Y CB 2.047 39.876 38.460 -1.052 0.000 1.259 267 Y HN 0.364 nan 8.280 nan 0.000 0.461 268 K N 2.051 122.405 120.400 -0.077 0.000 2.323 268 K HA 0.818 5.138 4.320 0.000 0.000 0.259 268 K C -1.269 175.388 176.600 0.094 0.000 0.947 268 K CA -0.810 55.465 56.287 -0.019 0.000 0.819 268 K CB 1.776 34.262 32.500 -0.023 0.000 1.109 268 K HN 0.667 nan 8.250 nan 0.000 0.429 269 A N 3.042 125.937 122.820 0.125 0.000 2.318 269 A HA 0.276 4.596 4.320 0.000 0.000 0.324 269 A C -0.494 177.152 177.584 0.103 0.000 1.170 269 A CA -0.765 51.349 52.037 0.128 0.000 0.810 269 A CB 0.644 19.716 19.000 0.122 0.000 1.198 269 A HN 0.727 nan 8.150 nan 0.000 0.484 270 N N 4.053 122.807 118.700 0.091 0.000 2.420 270 N HA 0.109 4.849 4.740 0.000 0.000 0.262 270 N C -1.496 174.086 175.510 0.120 0.000 1.144 270 N CA -1.601 51.508 53.050 0.098 0.000 0.952 270 N CB 1.297 39.824 38.487 0.066 0.000 1.081 270 N HN 0.363 nan 8.380 nan 0.000 0.480 271 P HA -0.123 nan 4.420 nan 0.000 0.219 271 P C 0.474 177.850 177.300 0.126 0.000 1.146 271 P CA 1.241 64.482 63.100 0.235 0.000 0.808 271 P CB 0.701 32.578 31.700 0.295 0.000 0.779 272 E N -0.500 119.750 120.200 0.083 0.000 2.065 272 E HA -0.000 4.350 4.350 0.000 0.000 0.191 272 E C 2.119 178.744 176.600 0.042 0.000 0.960 272 E CA 1.215 57.647 56.400 0.054 0.000 0.824 272 E CB -1.143 28.581 29.700 0.039 0.000 0.793 272 E HN 0.165 nan 8.360 nan 0.000 0.459 273 T N 1.460 116.038 114.554 0.040 0.000 2.962 273 T HA -0.053 4.297 4.350 0.000 0.000 0.270 273 T C 0.705 175.419 174.700 0.023 0.000 1.088 273 T CA 0.299 62.417 62.100 0.029 0.000 1.127 273 T CB -0.030 68.856 68.868 0.029 0.000 0.883 273 T HN 0.028 nan 8.240 nan 0.000 0.493 274 L N 1.058 122.298 121.223 0.029 0.000 3.843 274 L HA -0.191 4.149 4.340 0.000 0.000 0.411 274 L C 0.353 177.225 176.870 0.003 0.000 1.205 274 L CA 0.753 55.598 54.840 0.008 0.000 0.945 274 L CB -1.845 40.206 42.059 -0.012 0.000 1.929 274 L HN 0.567 nan 8.230 nan 0.000 0.934 275 E N -1.483 118.731 120.200 0.023 0.000 2.145 275 E HA 0.636 4.986 4.350 0.000 0.000 0.270 275 E C -0.038 176.595 176.600 0.055 0.000 0.906 275 E CA -0.983 55.434 56.400 0.028 0.000 0.761 275 E CB 0.996 30.713 29.700 0.028 0.000 1.116 275 E HN 0.286 nan 8.360 nan 0.000 0.408 276 N N 2.282 121.023 118.700 0.067 0.000 2.493 276 N HA 0.308 5.048 4.740 0.000 0.000 0.275 276 N C -1.056 174.561 175.510 0.177 0.000 1.186 276 N CA -0.629 52.503 53.050 0.135 0.000 0.978 276 N CB 0.955 39.522 38.487 0.133 0.000 1.184 276 N HN 0.699 nan 8.380 nan 0.000 0.487 277 E N -1.458 118.897 120.200 0.259 0.000 2.347 277 E HA 0.189 4.539 4.350 0.000 0.000 0.285 277 E C -1.391 175.255 176.600 0.077 0.000 0.925 277 E CA -0.859 55.659 56.400 0.197 0.000 0.779 277 E CB 1.276 31.020 29.700 0.073 0.000 1.233 277 E HN 0.489 nan 8.360 nan 0.000 0.414 278 E N 2.142 122.237 120.200 -0.176 0.000 2.413 278 E HA 0.198 4.548 4.350 0.000 0.000 0.263 278 E C -0.932 175.443 176.600 -0.375 0.000 1.015 278 E CA -0.377 55.569 56.400 -0.757 0.000 0.916 278 E CB 1.415 30.744 29.700 -0.617 0.000 0.947 278 E HN 0.371 nan 8.360 nan 0.000 0.440 284 P HA 0.148 nan 4.420 nan 0.000 0.257 284 P C -0.506 176.722 177.300 -0.121 0.000 1.359 284 P CA 0.305 63.330 63.100 -0.125 0.000 1.239 284 P CB -0.537 31.124 31.700 -0.065 0.000 1.549 285 C N 1.444 120.668 119.300 -0.125 0.000 2.802 285 C HA 0.350 4.811 4.460 0.000 0.000 0.307 285 C C 2.006 176.899 174.990 -0.161 0.000 1.222 285 C CA -0.166 58.797 59.018 -0.092 0.000 1.580 285 C CB 1.879 29.567 27.740 -0.087 0.000 2.119 285 C HN 0.425 nan 8.230 nan 0.000 0.479 286 S N 0.110 115.704 115.700 -0.175 0.000 2.317 286 S HA 0.001 4.471 4.470 0.000 0.000 0.212 286 S C 0.287 174.499 174.600 -0.648 0.000 1.030 286 S CA 1.104 59.075 58.200 -0.383 0.000 0.970 286 S CB -0.248 62.700 63.200 -0.420 0.000 0.928 286 S HN 0.848 nan 8.310 nan 0.000 0.451 287 H N -0.587 118.285 119.070 -0.330 0.000 2.544 287 H HA 0.752 5.308 4.556 0.000 0.000 0.342 287 H C -0.349 174.708 175.328 -0.452 0.000 1.185 287 H CA -0.711 55.046 56.048 -0.486 0.000 1.264 287 H CB 0.822 30.236 29.762 -0.580 0.000 1.607 287 H HN 0.142 nan 8.280 nan 0.000 0.550 291 N N -1.113 117.725 118.700 0.230 0.000 2.328 291 N HA 0.372 5.112 4.740 0.000 0.000 0.277 291 N C 0.670 176.305 175.510 0.210 0.000 1.286 291 N CA -0.292 52.786 53.050 0.046 0.000 0.949 291 N CB 0.205 38.560 38.487 -0.220 0.000 1.136 291 N HN 0.497 nan 8.380 nan 0.000 0.550 292 F N 0.744 120.740 119.950 0.078 0.000 2.128 292 F HA -0.085 4.442 4.527 0.000 0.000 0.295 292 F C 1.795 177.671 175.800 0.126 0.000 1.100 292 F CA 1.571 59.651 58.000 0.134 0.000 1.260 292 F CB -0.217 38.846 39.000 0.105 0.000 1.009 292 F HN 0.573 nan 8.300 nan 0.000 0.476 293 D N -1.254 119.194 120.400 0.079 0.000 2.350 293 D HA 0.155 4.795 4.640 0.000 0.000 0.213 293 D C 1.749 178.047 176.300 -0.003 0.000 1.031 293 D CA 0.837 54.831 54.000 -0.010 0.000 0.861 293 D CB -0.443 40.409 40.800 0.086 0.000 0.926 293 D HN 0.414 nan 8.370 nan 0.000 0.520 294 G N 0.393 109.213 108.800 0.034 0.000 2.143 294 G HA2 -0.343 3.617 3.960 0.000 0.000 0.249 294 G HA3 -0.343 3.617 3.960 0.000 0.000 0.249 294 G C 1.104 176.018 174.900 0.023 0.000 0.981 294 G CA 0.799 45.936 45.100 0.062 0.000 0.665 294 G HN 0.598 nan 8.290 nan 0.000 0.528 295 S N -1.202 114.487 115.700 -0.018 0.000 2.461 295 S HA 0.513 4.983 4.470 0.000 0.000 0.228 295 S C 1.113 175.646 174.600 -0.111 0.000 1.005 295 S CA 0.856 59.022 58.200 -0.056 0.000 0.942 295 S CB 0.400 63.563 63.200 -0.061 0.000 0.776 295 S HN 0.596 nan 8.310 nan 0.000 0.514 299 G N 2.119 110.948 108.800 0.049 0.000 2.574 299 G HA2 0.623 4.583 3.960 0.000 0.000 0.299 299 G HA3 0.623 4.583 3.960 0.000 0.000 0.299 299 G C -1.696 173.274 174.900 0.117 0.000 1.298 299 G CA -0.453 44.677 45.100 0.052 0.000 0.952 299 G HN 0.609 nan 8.290 nan 0.000 0.477 300 D N 0.600 121.061 120.400 0.102 0.000 2.456 300 D HA 0.399 5.039 4.640 0.000 0.000 0.219 300 D C 0.916 177.412 176.300 0.327 0.000 1.126 300 D CA 0.077 54.197 54.000 0.201 0.000 0.890 300 D CB 0.951 41.916 40.800 0.275 0.000 1.025 300 D HN 0.507 nan 8.370 nan 0.000 0.511 301 G N 1.588 110.686 108.800 0.498 0.000 2.380 301 G HA2 0.352 4.312 3.960 0.000 0.000 0.242 301 G HA3 0.352 4.312 3.960 0.000 0.000 0.242 301 G C 0.600 175.788 174.900 0.479 0.000 1.298 301 G CA -0.089 45.297 45.100 0.478 0.000 0.878 301 G HN 0.628 nan 8.290 nan 0.000 0.542 302 C N 0.498 119.909 119.300 0.185 0.000 3.299 302 C HA 0.716 5.176 4.460 0.000 0.000 0.366 302 C C -0.692 174.241 174.990 -0.094 0.000 3.078 302 C CA -1.177 57.819 59.018 -0.037 0.000 1.335 302 C CB 1.216 28.627 27.740 -0.549 0.000 3.510 302 C HN 0.579 nan 8.230 nan 0.000 0.476 303 D N 1.433 121.679 120.400 -0.257 0.000 2.210 303 D HA 0.520 5.160 4.640 0.000 0.000 0.249 303 D C 0.512 176.717 176.300 -0.158 0.000 1.062 303 D CA 0.322 54.225 54.000 -0.161 0.000 0.891 303 D CB 1.610 42.301 40.800 -0.181 0.000 1.186 303 D HN 0.965 nan 8.370 nan 0.000 0.432 316 I N -1.270 119.302 120.570 0.002 0.000 2.026 316 I HA 0.383 4.553 4.170 0.000 0.000 0.149 316 I C 0.035 176.159 176.117 0.012 0.000 1.444 316 I CA 0.081 61.384 61.300 0.006 0.000 0.659 316 I CB -0.107 37.894 38.000 0.001 0.000 1.847 316 I HN 0.067 nan 8.210 nan 0.000 1.093 317 E N -0.053 120.157 120.200 0.016 0.000 2.537 317 E HA 0.319 4.669 4.350 0.000 0.000 0.301 317 E C -1.695 174.925 176.600 0.032 0.000 0.990 317 E CA -0.423 55.992 56.400 0.025 0.000 0.828 317 E CB 0.816 30.538 29.700 0.036 0.000 1.243 317 E HN 0.590 nan 8.360 nan 0.000 0.414 318 N N 2.803 121.521 118.700 0.030 0.000 2.483 318 N HA 0.104 4.844 4.740 0.000 0.000 0.264 318 N C -0.952 174.598 175.510 0.066 0.000 1.197 318 N CA -0.119 52.955 53.050 0.040 0.000 0.927 318 N CB 0.514 39.031 38.487 0.050 0.000 1.065 318 N HN 0.350 nan 8.380 nan 0.000 0.461 319 D N 2.970 123.430 120.400 0.100 0.000 2.380 319 D HA 0.110 4.750 4.640 0.000 0.000 0.230 319 D C -1.930 174.428 176.300 0.097 0.000 1.154 319 D CA -2.190 51.908 54.000 0.163 0.000 0.859 319 D CB 0.999 41.944 40.800 0.241 0.000 1.045 319 D HN 0.362 nan 8.370 nan 0.000 0.495 320 P HA 0.171 nan 4.420 nan 0.000 0.259 320 P C -0.537 176.170 177.300 -0.988 0.000 1.530 320 P CA -0.340 62.410 63.100 -0.584 0.000 1.022 320 P CB -0.321 31.027 31.700 -0.587 0.000 1.514 321 F N 0.060 119.810 119.950 -0.334 0.000 2.432 321 F HA 0.371 4.898 4.527 0.000 0.000 0.329 321 F C 1.054 176.728 175.800 -0.209 0.000 1.076 321 F CA -1.034 56.741 58.000 -0.375 0.000 1.018 321 F CB 1.234 39.950 39.000 -0.472 0.000 1.201 321 F HN -0.300 nan 8.300 nan 0.000 0.489 322 L N 2.506 123.692 121.223 -0.063 0.000 2.307 322 L HA 0.378 4.718 4.340 0.000 0.000 0.282 322 L C -1.158 175.627 176.870 -0.142 0.000 1.051 322 L CA -0.664 54.157 54.840 -0.032 0.000 0.804 322 L CB 1.025 42.961 42.059 -0.205 0.000 1.197 322 L HN 0.545 nan 8.230 nan 0.000 0.431 323 Y N 1.750 122.059 120.300 0.016 0.000 2.409 323 Y HA 0.444 4.994 4.550 0.000 0.000 0.339 323 Y C -0.116 175.799 175.900 0.025 0.000 1.033 323 Y CA -0.787 57.326 58.100 0.023 0.000 1.094 323 Y CB 2.118 40.594 38.460 0.028 0.000 1.210 323 Y HN 0.093 nan 8.280 nan 0.000 0.456 324 V N 5.570 125.602 119.914 0.197 0.000 2.284 324 V HA 0.247 4.367 4.120 0.000 0.000 0.274 324 V C -0.644 175.559 176.094 0.182 0.000 1.023 324 V CA -0.671 61.752 62.300 0.205 0.000 0.808 324 V CB 0.274 32.226 31.823 0.214 0.000 1.035 324 V HN 0.494 nan 8.190 nan 0.000 0.445 325 L N 3.887 125.213 121.223 0.172 0.000 2.397 325 L HA 0.401 4.741 4.340 0.000 0.000 0.271 325 L C 0.722 177.610 176.870 0.030 0.000 1.148 325 L CA 0.406 55.308 54.840 0.103 0.000 0.825 325 L CB 0.318 42.432 42.059 0.091 0.000 1.117 325 L HN 0.470 nan 8.230 nan 0.000 0.456 326 N N 0.782 119.475 118.700 -0.011 0.000 2.621 326 N HA 0.131 4.871 4.740 0.000 0.000 0.237 326 N C 0.629 176.114 175.510 -0.042 0.000 0.997 326 N CA -0.000 52.997 53.050 -0.088 0.000 0.918 326 N CB 1.094 39.537 38.487 -0.075 0.000 1.122 326 N HN 0.647 nan 8.380 nan 0.000 0.510 327 T N 2.447 116.976 114.554 -0.041 0.000 2.597 327 T HA -0.182 4.168 4.350 0.000 0.000 0.267 327 T C 1.718 176.402 174.700 -0.026 0.000 1.053 327 T CA 1.250 63.335 62.100 -0.025 0.000 1.165 327 T CB 0.085 68.942 68.868 -0.018 0.000 0.863 327 T HN 0.408 nan 8.240 nan 0.000 0.427 328 K N 1.227 121.611 120.400 -0.027 0.000 1.978 328 K HA 0.041 4.361 4.320 0.000 0.000 0.214 328 K C 2.469 179.066 176.600 -0.005 0.000 1.049 328 K CA 1.702 57.981 56.287 -0.014 0.000 0.939 328 K CB -0.905 31.591 32.500 -0.006 0.000 0.721 328 K HN 0.341 nan 8.250 nan 0.000 0.441 329 A N 1.136 123.959 122.820 0.005 0.000 2.172 329 A HA -0.088 4.232 4.320 0.000 0.000 0.216 329 A C 0.078 177.668 177.584 0.009 0.000 1.154 329 A CA 0.890 52.939 52.037 0.019 0.000 0.701 329 A CB -0.421 18.609 19.000 0.050 0.000 0.789 329 A HN 0.482 nan 8.150 nan 0.000 0.465 330 K N 0.153 120.551 120.400 -0.004 0.000 3.689 330 K HA -0.147 4.173 4.320 0.000 0.000 0.276 330 K C -0.483 176.118 176.600 0.002 0.000 0.932 330 K CA 0.696 56.976 56.287 -0.011 0.000 0.758 330 K CB -2.175 30.311 32.500 -0.023 0.000 1.500 330 K HN 0.835 nan 8.250 nan 0.000 0.448 331 S N -1.234 114.475 115.700 0.017 0.000 2.603 331 S HA 0.721 5.191 4.470 0.000 0.000 0.274 331 S C -0.515 174.120 174.600 0.057 0.000 1.168 331 S CA -0.600 57.620 58.200 0.035 0.000 0.963 331 S CB 2.287 65.516 63.200 0.049 0.000 1.078 331 S HN 0.478 nan 8.310 nan 0.000 0.477 332 A N 2.166 125.027 122.820 0.068 0.000 2.303 332 A HA 0.827 5.147 4.320 0.000 0.000 0.317 332 A C -0.155 177.528 177.584 0.166 0.000 1.149 332 A CA -0.633 51.478 52.037 0.124 0.000 0.822 332 A CB 1.214 20.269 19.000 0.092 0.000 1.131 332 A HN 0.916 nan 8.150 nan 0.000 0.493 333 Q N 0.847 120.769 119.800 0.203 0.000 2.340 333 Q HA 0.336 4.676 4.340 0.000 0.000 0.276 333 Q C -1.329 174.669 176.000 -0.003 0.000 1.048 333 Q CA -0.667 55.201 55.803 0.108 0.000 0.832 333 Q CB 1.595 30.391 28.738 0.096 0.000 1.373 333 Q HN 0.715 nan 8.270 nan 0.000 0.409 334 K N 3.721 123.997 120.400 -0.207 0.000 2.383 334 K HA 0.097 4.417 4.320 0.000 0.000 0.286 334 K C 0.473 176.947 176.600 -0.211 0.000 1.051 334 K CA -0.016 55.998 56.287 -0.454 0.000 0.974 334 K CB 0.837 32.926 32.500 -0.686 0.000 0.968 334 K HN 0.598 nan 8.250 nan 0.000 0.475 335 L N 2.574 123.707 121.223 -0.150 0.000 2.056 335 L HA -0.022 4.318 4.340 0.000 0.000 0.202 335 L C 1.018 177.868 176.870 -0.034 0.000 1.086 335 L CA 1.308 56.119 54.840 -0.049 0.000 0.758 335 L CB 0.242 42.283 42.059 -0.029 0.000 0.912 335 L HN 0.928 nan 8.230 nan 0.000 0.446 336 C N -2.613 116.667 119.300 -0.032 0.000 3.236 336 C HA 0.491 4.951 4.460 0.000 0.000 0.376 336 C C -0.477 174.499 174.990 -0.024 0.000 2.349 336 C CA -1.180 57.833 59.018 -0.008 0.000 1.235 336 C CB 1.446 29.154 27.740 -0.053 0.000 2.754 336 C HN 0.288 nan 8.230 nan 0.000 0.443 337 K N -0.156 120.124 120.400 -0.199 0.000 2.345 337 K HA 0.545 4.865 4.320 0.000 0.000 0.255 337 K C 0.310 176.612 176.600 -0.498 0.000 0.934 337 K CA -0.270 55.702 56.287 -0.526 0.000 0.801 337 K CB 1.000 33.071 32.500 -0.715 0.000 1.137 337 K HN 0.984 nan 8.250 nan 0.000 0.424 338 H N 0.420 119.190 119.070 -0.500 0.000 2.553 338 H HA 0.285 4.841 4.556 0.000 0.000 0.276 338 H C -0.205 174.913 175.328 -0.350 0.000 0.979 338 H CA 0.138 55.932 56.048 -0.424 0.000 1.268 338 H CB 0.265 29.713 29.762 -0.523 0.000 1.450 338 H HN 0.504 nan 8.280 nan 0.000 0.527 339 S N 0.740 116.079 115.700 -0.602 0.000 3.336 339 S HA -0.223 4.247 4.470 0.000 0.000 0.362 339 S C 0.170 174.773 174.600 0.006 0.000 0.941 339 S CA 1.007 59.005 58.200 -0.337 0.000 1.297 339 S CB -1.756 61.184 63.200 -0.432 0.000 0.915 339 S HN 0.870 nan 8.310 nan 0.000 0.527 340 T N 1.485 116.129 114.554 0.150 0.000 2.902 340 T HA 0.542 4.892 4.350 0.000 0.000 0.283 340 T C 0.294 174.915 174.700 -0.133 0.000 1.009 340 T CA -0.086 61.981 62.100 -0.054 0.000 1.051 340 T CB 0.881 69.516 68.868 -0.388 0.000 0.999 340 T HN 0.547 nan 8.240 nan 0.000 0.474 341 S N 4.132 119.797 115.700 -0.059 0.000 2.473 341 S HA 0.188 4.658 4.470 0.000 0.000 0.312 341 S C 0.188 174.825 174.600 0.062 0.000 1.087 341 S CA -0.911 57.327 58.200 0.062 0.000 1.077 341 S CB -0.334 62.910 63.200 0.073 0.000 1.065 341 S HN 0.825 nan 8.310 nan 0.000 0.510 342 W N 2.122 123.472 121.300 0.084 0.000 3.075 342 W HA 0.097 4.757 4.660 -0.000 0.000 0.310 342 W C -0.089 176.489 176.519 0.098 0.000 1.239 342 W CA -0.535 56.869 57.345 0.098 0.000 1.642 342 W CB -1.311 28.190 29.460 0.068 0.000 0.946 342 W HN 0.506 nan 8.180 nan 0.000 0.677 343 D N -0.044 120.483 120.400 0.212 0.000 2.368 343 D HA 0.147 4.787 4.640 0.000 0.000 0.240 343 D C 0.206 176.585 176.300 0.132 0.000 1.169 343 D CA -0.112 53.978 54.000 0.150 0.000 0.906 343 D CB 1.138 41.997 40.800 0.097 0.000 1.187 343 D HN -0.092 nan 8.370 nan 0.000 0.435 344 V N -0.286 119.691 119.914 0.105 0.000 2.333 344 V HA 0.330 4.450 4.120 0.000 0.000 0.274 344 V C -0.299 175.831 176.094 0.059 0.000 1.028 344 V CA -0.903 61.446 62.300 0.083 0.000 0.851 344 V CB 0.917 32.789 31.823 0.081 0.000 1.000 344 V HN 0.234 nan 8.190 nan 0.000 0.456 345 L N 4.556 125.807 121.223 0.046 0.000 2.278 345 L HA 0.400 4.740 4.340 0.000 0.000 0.287 345 L C 0.448 177.340 176.870 0.037 0.000 1.072 345 L CA 0.531 55.392 54.840 0.035 0.000 0.819 345 L CB 0.174 42.248 42.059 0.024 0.000 1.176 345 L HN 0.960 nan 8.230 nan 0.000 0.435 346 D N 3.493 123.915 120.400 0.036 0.000 2.686 346 D HA -0.176 4.464 4.640 0.000 0.000 0.235 346 D C 1.277 177.605 176.300 0.047 0.000 1.160 346 D CA 1.128 55.152 54.000 0.039 0.000 0.645 346 D CB -0.970 39.852 40.800 0.037 0.000 1.039 346 D HN 1.034 nan 8.370 nan 0.000 0.423 347 G N -0.381 108.449 108.800 0.049 0.000 2.245 347 G HA2 -0.373 3.587 3.960 0.000 0.000 0.264 347 G HA3 -0.373 3.587 3.960 0.000 0.000 0.264 347 G C 0.078 175.008 174.900 0.050 0.000 0.985 347 G CA 0.231 45.364 45.100 0.055 0.000 0.625 347 G HN 0.609 nan 8.290 nan 0.000 0.536 348 D N 0.197 120.623 120.400 0.044 0.000 2.336 348 D HA 0.361 5.001 4.640 0.000 0.000 0.249 348 D C 1.373 177.674 176.300 0.001 0.000 1.213 348 D CA -0.424 53.590 54.000 0.024 0.000 0.870 348 D CB 0.614 41.444 40.800 0.049 0.000 1.076 348 D HN 0.399 nan 8.370 nan 0.000 0.483 349 R N 2.782 123.261 120.500 -0.034 0.000 2.254 349 R HA 0.023 4.363 4.340 0.000 0.000 0.195 349 R C 1.192 177.359 176.300 -0.222 0.000 0.957 349 R CA 0.355 56.437 56.100 -0.029 0.000 1.024 349 R CB 0.362 30.682 30.300 0.033 0.000 0.952 349 R HN 0.407 nan 8.270 nan 0.000 0.484 350 Q N 0.581 120.179 119.800 -0.337 0.000 2.250 350 Q HA -0.017 4.323 4.340 0.000 0.000 0.200 350 Q C 2.128 178.060 176.000 -0.112 0.000 0.941 350 Q CA 0.854 56.357 55.803 -0.501 0.000 0.872 350 Q CB 0.136 28.536 28.738 -0.564 0.000 0.965 350 Q HN 0.479 nan 8.270 nan 0.000 0.480 351 I N -0.852 119.750 120.570 0.054 0.000 2.315 351 I HA -0.230 3.940 4.170 0.000 0.000 0.251 351 I C 2.154 178.272 176.117 0.002 0.000 1.125 351 I CA 1.740 63.050 61.300 0.017 0.000 1.392 351 I CB -0.919 37.037 38.000 -0.074 0.000 1.065 351 I HN 0.009 nan 8.210 nan 0.000 0.424 352 T N 0.080 114.630 114.554 -0.006 0.000 3.085 352 T HA -0.020 4.330 4.350 0.000 0.000 0.263 352 T C 0.799 175.435 174.700 -0.106 0.000 1.127 352 T CA 0.205 62.292 62.100 -0.022 0.000 1.103 352 T CB -0.671 68.216 68.868 0.030 0.000 0.921 352 T HN 0.464 nan 8.240 nan 0.000 0.510 353 H N 1.375 120.270 119.070 -0.291 0.000 2.803 353 H HA 0.107 4.663 4.556 0.000 0.000 0.330 353 H C -1.640 173.293 175.328 -0.658 0.000 1.057 353 H CA -2.060 53.643 56.048 -0.574 0.000 1.458 353 H CB 1.533 30.857 29.762 -0.731 0.000 1.470 353 H HN 0.164 nan 8.280 nan 0.000 0.560 354 P HA -0.150 nan 4.420 nan 0.000 0.216 354 P C -0.500 176.759 177.300 -0.068 0.000 1.153 354 P CA 1.176 64.113 63.100 -0.272 0.000 0.848 354 P CB 0.186 31.573 31.700 -0.522 0.000 0.787 355 H N -2.406 116.547 119.070 -0.196 0.000 2.592 355 H HA -0.097 4.459 4.556 0.000 0.000 0.323 355 H C -1.843 173.487 175.328 0.003 0.000 1.117 355 H CA -0.726 55.229 56.048 -0.156 0.000 1.120 355 H CB -1.561 28.342 29.762 0.235 0.000 1.561 355 H HN 0.360 nan 8.280 nan 0.000 0.409 356 P HA 0.053 nan 4.420 nan 0.000 0.266 356 P C -0.027 177.301 177.300 0.047 0.000 1.195 356 P CA 0.458 63.579 63.100 0.035 0.000 0.768 356 P CB 1.828 33.462 31.700 -0.110 0.000 0.838 357 S N 2.449 118.200 115.700 0.085 0.000 2.541 357 S HA 0.590 5.060 4.470 0.000 0.000 0.271 357 S C -1.082 173.552 174.600 0.058 0.000 1.133 357 S CA -0.707 57.583 58.200 0.149 0.000 0.876 357 S CB 0.481 63.879 63.200 0.330 0.000 1.105 357 S HN 0.140 nan 8.310 nan 0.000 0.470 358 F N 1.956 122.017 119.950 0.185 0.000 2.382 358 F HA 0.384 4.911 4.527 -0.000 0.000 0.331 358 F C 1.562 177.374 175.800 0.021 0.000 1.121 358 F CA 0.156 58.223 58.000 0.112 0.000 1.183 358 F CB 1.245 40.312 39.000 0.111 0.000 1.207 358 F HN 0.569 nan 8.300 nan 0.000 0.555 359 T N 3.452 118.064 114.554 0.097 0.000 2.868 359 T HA 0.142 4.492 4.350 0.000 0.000 0.292 359 T C -1.293 173.317 174.700 -0.149 0.000 1.028 359 T CA -1.812 60.084 62.100 -0.339 0.000 1.059 359 T CB 0.969 69.628 68.868 -0.348 0.000 0.991 359 T HN 0.381 nan 8.240 nan 0.000 0.531 360 P HA -0.121 nan 4.420 nan 0.000 0.221 360 P C 0.303 177.588 177.300 -0.026 0.000 1.141 360 P CA 1.388 64.460 63.100 -0.048 0.000 0.794 360 P CB -0.293 31.394 31.700 -0.021 0.000 0.764 361 N N -2.669 116.008 118.700 -0.037 0.000 2.194 361 N HA 0.060 4.800 4.740 0.000 0.000 0.231 361 N C -0.392 175.124 175.510 0.011 0.000 1.247 361 N CA -0.307 52.736 53.050 -0.013 0.000 0.884 361 N CB 0.114 38.593 38.487 -0.013 0.000 1.146 361 N HN -0.353 nan 8.380 nan 0.000 0.516 362 D N 0.388 120.813 120.400 0.041 0.000 3.076 362 D HA -0.174 4.466 4.640 0.000 0.000 0.218 362 D C -0.054 176.330 176.300 0.140 0.000 1.156 362 D CA 1.637 55.696 54.000 0.098 0.000 0.921 362 D CB -1.505 39.272 40.800 -0.037 0.000 1.113 362 D HN 0.801 nan 8.370 nan 0.000 0.418 363 D N -0.351 120.102 120.400 0.088 0.000 2.349 363 D HA 0.271 4.911 4.640 0.000 0.000 0.215 363 D C 1.138 177.495 176.300 0.095 0.000 1.016 363 D CA 0.914 54.964 54.000 0.083 0.000 0.870 363 D CB 0.224 41.048 40.800 0.040 0.000 0.917 363 D HN 0.458 nan 8.370 nan 0.000 0.524 364 G N -1.292 107.574 108.800 0.109 0.000 2.649 364 G HA2 0.532 4.492 3.960 0.000 0.000 0.290 364 G HA3 0.532 4.492 3.960 0.000 0.000 0.290 364 G C -1.909 173.057 174.900 0.111 0.000 1.426 364 G CA -0.742 44.416 45.100 0.097 0.000 0.794 364 G HN 0.018 nan 8.290 nan 0.000 0.483 365 V N 0.582 120.555 119.914 0.097 0.000 2.483 365 V HA 0.520 4.640 4.120 0.000 0.000 0.297 365 V C -0.592 175.640 176.094 0.231 0.000 1.027 365 V CA -0.665 61.678 62.300 0.071 0.000 0.855 365 V CB 1.428 33.234 31.823 -0.028 0.000 0.995 365 V HN 0.780 nan 8.190 nan 0.000 0.424 366 L N 7.068 128.435 121.223 0.240 0.000 2.334 366 L HA 0.893 5.233 4.340 0.000 0.000 0.277 366 L C -0.755 176.311 176.870 0.327 0.000 1.075 366 L CA 0.290 55.276 54.840 0.244 0.000 0.804 366 L CB 0.993 43.275 42.059 0.371 0.000 1.174 366 L HN 0.651 nan 8.230 nan 0.000 0.438 367 F N 0.363 120.387 119.950 0.124 0.000 2.770 367 F HA 0.666 5.193 4.527 -0.000 0.000 0.313 367 F C -1.043 174.840 175.800 0.138 0.000 1.154 367 F CA -0.841 57.219 58.000 0.100 0.000 0.923 367 F CB 0.759 39.779 39.000 0.033 0.000 1.301 367 F HN 0.355 nan 8.300 nan 0.000 0.449 368 T N 1.232 115.960 114.554 0.290 0.000 2.925 368 T HA 0.707 5.057 4.350 0.000 0.000 0.285 368 T C -0.996 173.883 174.700 0.297 0.000 1.021 368 T CA -0.645 61.575 62.100 0.200 0.000 1.042 368 T CB 1.516 70.466 68.868 0.136 0.000 1.037 368 T HN 0.837 nan 8.240 nan 0.000 0.481 369 S N 0.431 116.318 115.700 0.312 0.000 2.552 369 S HA 0.418 4.888 4.470 0.000 0.000 0.272 369 S C -1.534 173.210 174.600 0.241 0.000 1.150 369 S CA -0.761 57.616 58.200 0.295 0.000 0.849 369 S CB 1.302 64.773 63.200 0.453 0.000 1.113 369 S HN 0.829 nan 8.310 nan 0.000 0.458 370 D N 1.816 122.299 120.400 0.139 0.000 2.623 370 D HA 0.106 4.746 4.640 0.000 0.000 0.252 370 D C 1.001 177.318 176.300 0.029 0.000 1.294 370 D CA -0.401 53.627 54.000 0.047 0.000 0.824 370 D CB -0.824 39.984 40.800 0.013 0.000 1.070 370 D HN 0.454 nan 8.370 nan 0.000 0.487 371 F N 1.029 120.984 119.950 0.007 0.000 2.293 371 F HA 0.143 4.670 4.527 0.000 0.000 0.300 371 F C 1.263 177.045 175.800 -0.029 0.000 1.086 371 F CA 0.627 58.608 58.000 -0.032 0.000 1.375 371 F CB -0.321 38.633 39.000 -0.076 0.000 1.045 371 F HN -0.120 nan 8.300 nan 0.000 0.516 372 E N 0.444 120.119 120.200 -0.876 0.000 2.463 372 E HA 0.241 4.591 4.350 0.000 0.000 0.191 372 E C 1.637 178.074 176.600 -0.273 0.000 1.083 372 E CA 0.415 56.439 56.400 -0.627 0.000 0.872 372 E CB -0.101 29.180 29.700 -0.697 0.000 0.966 372 E HN 0.751 nan 8.360 nan 0.000 0.491 373 G N 0.412 109.108 108.800 -0.172 0.000 2.561 373 G HA2 -0.233 3.727 3.960 0.000 0.000 0.203 373 G HA3 -0.233 3.727 3.960 0.000 0.000 0.203 373 G C 0.084 174.938 174.900 -0.076 0.000 1.101 373 G CA -0.068 44.973 45.100 -0.097 0.000 0.711 373 G HN 0.212 nan 8.290 nan 0.000 0.511 374 V N 3.314 123.170 119.914 -0.096 0.000 2.962 374 V HA 0.720 4.840 4.120 0.000 0.000 0.313 374 V C -2.054 174.002 176.094 -0.063 0.000 1.099 374 V CA -1.756 60.501 62.300 -0.072 0.000 0.971 374 V CB 2.488 34.260 31.823 -0.086 0.000 1.028 374 V HN 0.240 nan 8.190 nan 0.000 0.430 375 P HA 0.276 nan 4.420 nan 0.000 0.264 375 P C -0.954 176.322 177.300 -0.041 0.000 1.193 375 P CA 0.349 63.446 63.100 -0.005 0.000 0.763 375 P CB 0.894 32.600 31.700 0.010 0.000 0.810 376 A N 4.147 126.950 122.820 -0.027 0.000 2.569 376 A HA 0.740 5.060 4.320 0.000 0.000 0.290 376 A C -0.789 176.657 177.584 -0.230 0.000 1.136 376 A CA -0.885 51.042 52.037 -0.183 0.000 0.710 376 A CB 1.201 20.009 19.000 -0.320 0.000 1.303 376 A HN 0.435 nan 8.150 nan 0.000 0.413 377 I N 0.848 121.147 120.570 -0.452 0.000 2.377 377 I HA 0.492 4.662 4.170 0.000 0.000 0.293 377 I C -1.220 174.466 176.117 -0.718 0.000 0.987 377 I CA -0.317 60.714 61.300 -0.449 0.000 1.185 377 I CB 1.065 38.806 38.000 -0.431 0.000 1.341 377 I HN 0.611 nan 8.210 nan 0.000 0.455 378 Y N 5.612 125.583 120.300 -0.549 0.000 2.602 378 Y HA 0.664 5.214 4.550 0.000 0.000 0.342 378 Y C -0.246 175.290 175.900 -0.607 0.000 1.029 378 Y CA -0.944 56.795 58.100 -0.601 0.000 1.080 378 Y CB 1.978 39.981 38.460 -0.761 0.000 1.284 378 Y HN 0.299 nan 8.280 nan 0.000 0.485 379 I N 1.893 122.353 120.570 -0.183 0.000 2.468 379 I HA 0.538 4.708 4.170 0.000 0.000 0.284 379 I C -0.837 175.301 176.117 0.035 0.000 1.038 379 I CA -0.797 60.471 61.300 -0.055 0.000 1.083 379 I CB 1.438 39.409 38.000 -0.050 0.000 1.223 379 I HN 0.722 nan 8.210 nan 0.000 0.443 380 A N 4.717 127.647 122.820 0.184 0.000 2.301 380 A HA 0.476 4.796 4.320 0.000 0.000 0.298 380 A C -0.436 177.198 177.584 0.084 0.000 1.185 380 A CA -0.464 51.664 52.037 0.152 0.000 0.830 380 A CB 0.324 19.479 19.000 0.259 0.000 1.112 380 A HN 0.646 nan 8.150 nan 0.000 0.508 381 D N 0.364 120.783 120.400 0.033 0.000 2.378 381 D HA 0.362 5.002 4.640 0.000 0.000 0.238 381 D C -0.321 176.021 176.300 0.069 0.000 1.180 381 D CA 0.736 54.759 54.000 0.039 0.000 0.895 381 D CB 0.813 41.621 40.800 0.012 0.000 1.192 381 D HN 0.157 nan 8.370 nan 0.000 0.438 382 V N 3.607 123.578 119.914 0.096 0.000 2.454 382 V HA 0.253 4.373 4.120 0.000 0.000 0.267 382 V C -2.046 174.125 176.094 0.127 0.000 0.993 382 V CA -1.305 61.081 62.300 0.143 0.000 0.836 382 V CB 1.017 32.983 31.823 0.239 0.000 1.055 382 V HN 0.536 nan 8.190 nan 0.000 0.452 383 P HA 0.073 nan 4.420 nan 0.000 0.270 383 P C 0.683 177.973 177.300 -0.017 0.000 1.221 383 P CA 0.057 63.169 63.100 0.020 0.000 0.788 383 P CB 1.318 33.012 31.700 -0.010 0.000 0.904 384 E N 0.617 120.764 120.200 -0.089 0.000 2.204 384 E HA -0.115 4.235 4.350 0.000 0.000 0.195 384 E C 1.747 177.961 176.600 -0.644 0.000 0.990 384 E CA 1.614 57.883 56.400 -0.219 0.000 0.821 384 E CB -0.608 29.007 29.700 -0.140 0.000 0.750 384 E HN 0.584 nan 8.360 nan 0.000 0.477 385 S N -0.191 115.243 115.700 -0.444 0.000 2.607 385 S HA -0.107 4.363 4.470 0.000 0.000 0.224 385 S C 0.049 174.373 174.600 -0.460 0.000 0.969 385 S CA -0.165 57.740 58.200 -0.491 0.000 0.927 385 S CB -0.614 62.462 63.200 -0.206 0.000 0.772 385 S HN 0.213 nan 8.310 nan 0.000 0.533 386 Y N 0.474 120.794 120.300 0.034 0.000 3.389 386 Y HA -0.222 4.328 4.550 0.000 0.000 0.213 386 Y C 0.667 176.588 175.900 0.034 0.000 1.272 386 Y CA -0.199 57.932 58.100 0.053 0.000 1.444 386 Y CB -2.876 35.622 38.460 0.064 0.000 1.445 386 Y HN 0.351 nan 8.280 nan 0.000 0.583 387 K N 0.000 120.446 120.400 0.076 0.000 2.780 387 K HA 0.000 4.320 4.320 0.000 0.000 0.191 387 K CA 0.000 56.307 56.287 0.033 0.000 0.838 387 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 387 K HN 0.000 nan 8.250 nan 0.000 0.543