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 3biw_1_H DATA FIRST_RESID 82 DATA SEQUENCE HAGTTYIFSK GGGQITYKWP PNDRPSTRAD RLAIGFSTVQ KEAVLVRVDS DATA SEQUENCE SSGLGDYLEL HIHQGKIGVK FNVGTDDIAI EESNAIINDG KYHVVRFTRS DATA SEQUENCE GGNATLQVDS WPVIERYPAX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXG DATA SEQUENCE RQLTIFNSQA TIIIGGKEQG QPFQGQLSGL YYNGLKVLNM AAENDANIAI DATA SEQUENCE VGNVRLV 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 82 H HA 0.000 nan 4.556 nan 0.000 0.296 82 H C 0.000 175.385 175.328 0.096 0.000 0.993 82 H CA 0.000 55.948 56.048 -0.167 0.000 1.023 82 H CB 0.000 29.614 29.762 -0.247 0.000 1.292 83 A N 2.627 125.636 122.820 0.315 0.000 2.437 83 A HA 0.575 4.895 4.320 -0.000 0.000 0.303 83 A C 1.284 178.940 177.584 0.121 0.000 1.324 83 A CA 1.004 53.169 52.037 0.213 0.000 0.983 83 A CB -0.616 18.523 19.000 0.233 0.000 1.142 83 A HN 1.260 nan 8.150 nan 0.000 0.541 84 G N 2.385 111.241 108.800 0.093 0.000 2.566 84 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.280 84 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.280 84 G C 0.387 175.313 174.900 0.043 0.000 1.225 84 G CA 0.067 45.204 45.100 0.063 0.000 0.966 84 G HN 1.405 nan 8.290 nan 0.000 0.560 85 T N 1.830 116.413 114.554 0.048 0.000 2.750 85 T HA 0.430 4.780 4.350 -0.000 0.000 0.277 85 T C 0.404 175.131 174.700 0.046 0.000 0.996 85 T CA 1.402 63.532 62.100 0.049 0.000 1.195 85 T CB 0.053 68.990 68.868 0.115 0.000 0.963 85 T HN 0.800 nan 8.240 nan 0.000 0.516 86 T N 3.665 118.202 114.554 -0.028 0.000 2.841 86 T HA 0.508 4.858 4.350 -0.000 0.000 0.283 86 T C -1.053 173.595 174.700 -0.086 0.000 1.000 86 T CA -0.476 61.589 62.100 -0.059 0.000 0.977 86 T CB 0.855 69.651 68.868 -0.120 0.000 0.979 86 T HN 0.430 nan 8.240 nan 0.000 0.446 87 Y N 1.519 121.811 120.300 -0.013 0.000 2.409 87 Y HA 0.604 5.154 4.550 -0.000 0.000 0.343 87 Y C -0.011 175.909 175.900 0.033 0.000 0.973 87 Y CA -1.081 57.007 58.100 -0.020 0.000 1.064 87 Y CB 1.343 39.795 38.460 -0.013 0.000 1.207 87 Y HN 0.481 nan 8.280 nan 0.000 0.452 88 I N 4.555 125.128 120.570 0.005 0.000 2.339 88 I HA 0.257 4.427 4.170 -0.000 0.000 0.290 88 I C -1.215 174.845 176.117 -0.094 0.000 0.994 88 I CA -0.573 60.753 61.300 0.044 0.000 1.191 88 I CB 0.774 38.773 38.000 -0.001 0.000 1.343 88 I HN 0.407 nan 8.210 nan 0.000 0.458 89 F N 4.586 124.568 119.950 0.054 0.000 2.385 89 F HA 0.350 4.877 4.527 -0.000 0.000 0.360 89 F C 0.809 176.576 175.800 -0.056 0.000 1.122 89 F CA -0.178 57.832 58.000 0.016 0.000 1.090 89 F CB 1.199 40.212 39.000 0.022 0.000 1.150 89 F HN 0.361 nan 8.300 nan 0.000 0.472 90 S N 2.058 117.804 115.700 0.077 0.000 2.666 90 S HA 0.416 4.886 4.470 -0.000 0.000 0.279 90 S C -0.092 174.532 174.600 0.041 0.000 1.149 90 S CA -1.182 57.038 58.200 0.034 0.000 1.020 90 S CB 0.737 63.942 63.200 0.009 0.000 1.127 90 S HN 0.427 nan 8.310 nan 0.000 0.537 91 K N 0.371 120.782 120.400 0.019 0.000 2.414 91 K HA 0.361 4.681 4.320 -0.000 0.000 0.272 91 K C 1.086 177.705 176.600 0.031 0.000 0.993 91 K CA 0.841 57.139 56.287 0.019 0.000 0.964 91 K CB 0.042 32.548 32.500 0.009 0.000 0.925 91 K HN 0.936 nan 8.250 nan 0.000 0.487 92 G N 1.167 109.988 108.800 0.035 0.000 2.194 92 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.236 92 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.236 92 G C 0.506 175.445 174.900 0.064 0.000 0.987 92 G CA 0.069 45.193 45.100 0.039 0.000 0.635 92 G HN 1.203 nan 8.290 nan 0.000 0.520 93 G N -1.014 107.841 108.800 0.092 0.000 2.939 93 G HA2 0.457 4.417 3.960 -0.000 0.000 0.278 93 G HA3 0.457 4.417 3.960 -0.000 0.000 0.278 93 G C 0.798 175.818 174.900 0.200 0.000 1.487 93 G CA 0.779 45.976 45.100 0.161 0.000 0.935 93 G HN 2.274 nan 8.290 nan 0.000 0.553 94 G N -1.596 107.410 108.800 0.344 0.000 2.827 94 G HA2 0.849 4.809 3.960 -0.000 0.000 0.296 94 G HA3 0.849 4.809 3.960 -0.000 0.000 0.296 94 G C -0.885 174.227 174.900 0.354 0.000 1.362 94 G CA 0.642 45.923 45.100 0.301 0.000 0.809 94 G HN 1.326 nan 8.290 nan 0.000 0.522 95 Q N -0.427 119.540 119.800 0.278 0.000 2.520 95 Q HA 0.352 4.692 4.340 -0.000 0.000 0.237 95 Q C -1.858 174.213 176.000 0.117 0.000 0.875 95 Q CA -0.471 55.460 55.803 0.213 0.000 1.028 95 Q CB 1.548 30.352 28.738 0.110 0.000 1.534 95 Q HN 0.531 nan 8.270 nan 0.000 0.471 96 I N 3.270 123.904 120.570 0.107 0.000 2.321 96 I HA 0.430 4.600 4.170 -0.000 0.000 0.291 96 I C -0.492 175.617 176.117 -0.013 0.000 0.998 96 I CA -0.417 60.880 61.300 -0.006 0.000 1.227 96 I CB 1.928 39.868 38.000 -0.100 0.000 1.368 96 I HN 0.514 nan 8.210 nan 0.000 0.466 97 T N 5.350 119.894 114.554 -0.018 0.000 2.840 97 T HA 0.282 4.632 4.350 -0.000 0.000 0.287 97 T C -0.944 173.747 174.700 -0.016 0.000 0.991 97 T CA -0.466 61.622 62.100 -0.021 0.000 0.964 97 T CB 0.924 69.777 68.868 -0.024 0.000 0.954 97 T HN 0.265 nan 8.240 nan 0.000 0.438 98 Y N 3.010 123.195 120.300 -0.193 0.000 2.326 98 Y HA 0.518 5.068 4.550 -0.000 0.000 0.337 98 Y C 0.048 175.785 175.900 -0.272 0.000 1.023 98 Y CA -1.003 56.933 58.100 -0.274 0.000 1.143 98 Y CB 0.832 39.041 38.460 -0.419 0.000 1.183 98 Y HN 0.458 nan 8.280 nan 0.000 0.485 99 K N 7.301 127.274 120.400 -0.711 0.000 2.404 99 K HA 0.166 4.486 4.320 -0.000 0.000 0.257 99 K C -0.973 175.255 176.600 -0.620 0.000 1.026 99 K CA -0.560 55.441 56.287 -0.476 0.000 0.951 99 K CB 0.507 32.867 32.500 -0.234 0.000 1.203 99 K HN 0.655 nan 8.250 nan 0.000 0.446 100 W N 5.349 126.344 121.300 -0.507 0.000 2.257 100 W HA 0.012 4.672 4.660 -0.000 0.000 0.337 100 W C -1.911 174.481 176.519 -0.211 0.000 1.321 100 W CA -1.460 55.679 57.345 -0.342 0.000 1.267 100 W CB 0.325 29.713 29.460 -0.120 0.000 1.187 100 W HN 0.414 nan 8.180 nan 0.000 0.565 101 P HA 0.009 nan 4.420 nan 0.000 0.266 101 P C -1.944 175.391 177.300 0.058 0.000 1.215 101 P CA -0.606 62.521 63.100 0.044 0.000 0.763 101 P CB 0.643 32.371 31.700 0.047 0.000 0.806 102 P HA -0.302 nan 4.420 nan 0.000 0.220 102 P C 0.894 178.194 177.300 -0.001 0.000 0.885 102 P CA 1.855 64.962 63.100 0.012 0.000 1.045 102 P CB -0.502 31.201 31.700 0.004 0.000 0.724 103 N N -0.357 118.343 118.700 0.000 0.000 2.586 103 N HA -0.076 4.664 4.740 -0.000 0.000 0.206 103 N C -0.023 175.477 175.510 -0.016 0.000 1.377 103 N CA 0.827 53.871 53.050 -0.011 0.000 0.871 103 N CB -0.404 38.081 38.487 -0.004 0.000 1.107 103 N HN 0.327 nan 8.380 nan 0.000 0.462 104 D N -0.231 120.157 120.400 -0.019 0.000 2.530 104 D HA 0.079 4.719 4.640 -0.000 0.000 0.253 104 D C -0.094 176.091 176.300 -0.192 0.000 1.338 104 D CA -0.206 53.771 54.000 -0.038 0.000 0.806 104 D CB 0.623 41.468 40.800 0.074 0.000 1.160 104 D HN 0.094 nan 8.370 nan 0.000 0.514 105 R N 2.576 122.947 120.500 -0.215 0.000 2.399 105 R HA 0.179 4.519 4.340 -0.000 0.000 0.324 105 R C -2.130 173.884 176.300 -0.476 0.000 1.030 105 R CA -0.729 55.111 56.100 -0.433 0.000 0.984 105 R CB 0.307 30.470 30.300 -0.229 0.000 0.961 105 R HN 0.080 nan 8.270 nan 0.000 0.433 106 P HA 0.104 nan 4.420 nan 0.000 0.276 106 P C -0.688 176.362 177.300 -0.416 0.000 1.252 106 P CA -0.366 62.443 63.100 -0.484 0.000 0.802 106 P CB 1.328 32.718 31.700 -0.516 0.000 1.035 107 S N -0.376 115.169 115.700 -0.258 0.000 2.566 107 S HA 0.736 5.206 4.470 -0.000 0.000 0.298 107 S C -0.367 174.158 174.600 -0.126 0.000 1.083 107 S CA -0.362 57.734 58.200 -0.173 0.000 0.978 107 S CB 1.555 64.697 63.200 -0.096 0.000 1.073 107 S HN 0.744 nan 8.310 nan 0.000 0.491 108 T N -1.145 113.381 114.554 -0.047 0.000 2.923 108 T HA 0.500 4.850 4.350 -0.000 0.000 0.311 108 T C 0.161 174.878 174.700 0.029 0.000 1.183 108 T CA -0.896 61.190 62.100 -0.023 0.000 1.020 108 T CB 1.850 70.697 68.868 -0.036 0.000 1.165 108 T HN 0.545 nan 8.240 nan 0.000 0.482 109 R N 0.996 121.492 120.500 -0.007 0.000 2.175 109 R HA 0.592 4.932 4.340 -0.000 0.000 0.202 109 R C 0.602 176.881 176.300 -0.034 0.000 1.018 109 R CA 0.514 56.608 56.100 -0.011 0.000 1.029 109 R CB 0.034 30.319 30.300 -0.024 0.000 0.959 109 R HN 0.853 nan 8.270 nan 0.000 0.480 110 A N 0.450 123.241 122.820 -0.047 0.000 2.380 110 A HA 0.571 4.891 4.320 -0.000 0.000 0.315 110 A C -1.662 175.879 177.584 -0.072 0.000 1.101 110 A CA -0.830 51.160 52.037 -0.078 0.000 0.771 110 A CB 1.484 20.435 19.000 -0.082 0.000 1.287 110 A HN 0.264 nan 8.150 nan 0.000 0.436 111 D N 0.876 121.220 120.400 -0.095 0.000 2.934 111 D HA 0.403 5.043 4.640 -0.000 0.000 0.230 111 D C -1.050 175.212 176.300 -0.064 0.000 1.204 111 D CA -0.466 53.502 54.000 -0.054 0.000 0.873 111 D CB 1.794 42.674 40.800 0.132 0.000 1.645 111 D HN 0.372 nan 8.370 nan 0.000 0.502 112 R N 1.789 122.264 120.500 -0.042 0.000 2.371 112 R HA 0.471 4.811 4.340 -0.000 0.000 0.312 112 R C -0.925 175.487 176.300 0.187 0.000 0.980 112 R CA -0.904 55.240 56.100 0.074 0.000 0.867 112 R CB 1.432 31.829 30.300 0.162 0.000 1.163 112 R HN 0.327 nan 8.270 nan 0.000 0.492 113 L N 1.692 123.115 121.223 0.333 0.000 2.385 113 L HA 0.846 5.186 4.340 -0.000 0.000 0.273 113 L C -1.262 175.829 176.870 0.368 0.000 0.990 113 L CA -0.502 54.594 54.840 0.427 0.000 0.821 113 L CB 2.048 44.419 42.059 0.521 0.000 1.279 113 L HN 0.741 nan 8.230 nan 0.000 0.412 114 A N 5.648 128.678 122.820 0.349 0.000 2.549 114 A HA 0.869 5.189 4.320 -0.000 0.000 0.297 114 A C -1.613 176.128 177.584 0.261 0.000 1.061 114 A CA -0.423 51.787 52.037 0.288 0.000 0.690 114 A CB 1.265 20.419 19.000 0.257 0.000 1.287 114 A HN 0.898 nan 8.150 nan 0.000 0.402 115 I N 0.432 121.153 120.570 0.251 0.000 2.908 115 I HA 0.659 4.829 4.170 -0.000 0.000 0.300 115 I C -0.311 176.018 176.117 0.354 0.000 1.385 115 I CA -0.540 60.909 61.300 0.249 0.000 1.004 115 I CB 2.263 40.364 38.000 0.169 0.000 1.309 115 I HN 0.948 nan 8.210 nan 0.000 0.449 116 G N 4.931 113.946 108.800 0.358 0.000 2.417 116 G HA2 0.646 4.606 3.960 -0.000 0.000 0.320 116 G HA3 0.646 4.606 3.960 -0.000 0.000 0.320 116 G C -1.240 173.910 174.900 0.416 0.000 1.204 116 G CA -0.442 44.949 45.100 0.484 0.000 0.923 116 G HN 0.576 nan 8.290 nan 0.000 0.466 117 F N 0.523 120.682 119.950 0.348 0.000 2.782 117 F HA 0.883 5.410 4.527 -0.000 0.000 0.366 117 F C -0.093 175.951 175.800 0.407 0.000 1.171 117 F CA -1.256 56.937 58.000 0.323 0.000 1.064 117 F CB 2.025 41.157 39.000 0.220 0.000 1.449 117 F HN 0.626 nan 8.300 nan 0.000 0.520 118 S N -0.061 115.982 115.700 0.572 0.000 2.511 118 S HA 0.530 5.000 4.470 -0.000 0.000 0.283 118 S C -1.132 173.738 174.600 0.450 0.000 1.078 118 S CA -0.286 58.123 58.200 0.348 0.000 0.994 118 S CB 0.653 63.937 63.200 0.140 0.000 1.171 118 S HN 1.208 nan 8.310 nan 0.000 0.444 119 T N 0.631 115.447 114.554 0.437 0.000 2.830 119 T HA 0.560 4.910 4.350 -0.000 0.000 0.322 119 T C -0.793 174.039 174.700 0.220 0.000 1.501 119 T CA -0.031 62.241 62.100 0.286 0.000 1.036 119 T CB 1.555 70.648 68.868 0.374 0.000 1.379 119 T HN 1.791 nan 8.240 nan 0.000 0.493 120 V N 1.226 121.209 119.914 0.115 0.000 2.843 120 V HA 0.564 4.684 4.120 -0.000 0.000 0.366 120 V C 0.038 176.172 176.094 0.065 0.000 1.283 120 V CA -0.399 61.955 62.300 0.090 0.000 1.303 120 V CB -0.278 31.579 31.823 0.058 0.000 1.418 120 V HN 0.719 nan 8.190 nan 0.000 0.598 121 Q N 0.254 120.105 119.800 0.086 0.000 2.248 121 Q HA 0.564 4.904 4.340 -0.000 0.000 0.263 121 Q C 0.427 176.461 176.000 0.057 0.000 1.007 121 Q CA -0.806 55.034 55.803 0.062 0.000 0.877 121 Q CB 2.330 31.111 28.738 0.073 0.000 1.315 121 Q HN 0.090 nan 8.270 nan 0.000 0.454 122 K N 0.380 120.797 120.400 0.028 0.000 2.244 122 K HA 0.137 4.457 4.320 -0.000 0.000 0.200 122 K C -0.249 176.350 176.600 -0.002 0.000 1.052 122 K CA 0.934 57.221 56.287 -0.000 0.000 0.980 122 K CB 0.751 33.238 32.500 -0.023 0.000 0.838 122 K HN 0.500 nan 8.250 nan 0.000 0.481 123 E N -0.096 120.115 120.200 0.018 0.000 2.248 123 E HA 0.642 4.992 4.350 -0.000 0.000 0.267 123 E C -1.234 175.397 176.600 0.051 0.000 0.877 123 E CA -0.798 55.621 56.400 0.032 0.000 0.759 123 E CB 2.250 31.966 29.700 0.027 0.000 1.182 123 E HN 0.119 nan 8.360 nan 0.000 0.418 124 A N 1.217 124.069 122.820 0.054 0.000 2.592 124 A HA 0.382 4.702 4.320 -0.000 0.000 0.300 124 A C -1.602 175.999 177.584 0.029 0.000 0.994 124 A CA -0.635 51.448 52.037 0.076 0.000 0.707 124 A CB 0.800 19.916 19.000 0.193 0.000 1.273 124 A HN 0.228 nan 8.150 nan 0.000 0.413 125 V N 3.788 123.700 119.914 -0.004 0.000 2.370 125 V HA 0.359 4.479 4.120 -0.000 0.000 0.283 125 V C 1.008 176.974 176.094 -0.213 0.000 1.023 125 V CA -0.208 62.057 62.300 -0.058 0.000 0.857 125 V CB 1.119 32.924 31.823 -0.029 0.000 0.985 125 V HN 0.836 nan 8.190 nan 0.000 0.443 126 L N 4.888 125.898 121.223 -0.355 0.000 2.121 126 L HA 0.270 4.610 4.340 -0.000 0.000 0.200 126 L C 0.265 176.903 176.870 -0.386 0.000 1.077 126 L CA 0.874 55.363 54.840 -0.585 0.000 0.766 126 L CB -0.146 41.497 42.059 -0.692 0.000 0.931 126 L HN 0.381 nan 8.230 nan 0.000 0.452 127 V N -0.341 119.407 119.914 -0.277 0.000 2.876 127 V HA 0.515 4.635 4.120 -0.000 0.000 0.312 127 V C -0.710 175.292 176.094 -0.153 0.000 1.085 127 V CA -0.679 61.500 62.300 -0.201 0.000 0.945 127 V CB 2.601 34.313 31.823 -0.185 0.000 1.017 127 V HN 0.254 nan 8.190 nan 0.000 0.428 128 R N 2.446 122.878 120.500 -0.113 0.000 2.508 128 R HA 0.656 4.996 4.340 -0.000 0.000 0.283 128 R C -2.146 174.148 176.300 -0.010 0.000 1.120 128 R CA -0.330 55.741 56.100 -0.049 0.000 0.958 128 R CB 2.092 32.374 30.300 -0.030 0.000 1.215 128 R HN 0.557 nan 8.270 nan 0.000 0.427 129 V N 3.337 123.285 119.914 0.057 0.000 2.435 129 V HA 0.484 4.604 4.120 -0.000 0.000 0.290 129 V C -0.311 175.995 176.094 0.354 0.000 1.030 129 V CA -0.699 61.686 62.300 0.143 0.000 0.881 129 V CB 1.695 33.561 31.823 0.072 0.000 0.983 129 V HN 0.695 nan 8.190 nan 0.000 0.445 130 D N 2.326 122.895 120.400 0.281 0.000 2.481 130 D HA 0.400 5.040 4.640 -0.000 0.000 0.244 130 D C -0.401 176.044 176.300 0.241 0.000 1.057 130 D CA -0.316 53.865 54.000 0.302 0.000 0.848 130 D CB 2.336 43.239 40.800 0.172 0.000 1.388 130 D HN 0.626 nan 8.370 nan 0.000 0.475 131 S N 0.181 116.059 115.700 0.298 0.000 2.489 131 S HA 0.266 4.736 4.470 -0.000 0.000 0.277 131 S C 0.509 175.177 174.600 0.112 0.000 1.230 131 S CA -0.898 57.404 58.200 0.169 0.000 1.053 131 S CB 0.709 64.067 63.200 0.264 0.000 0.955 131 S HN 0.442 nan 8.310 nan 0.000 0.488 132 S N 3.329 119.065 115.700 0.059 0.000 3.129 132 S HA -0.013 4.457 4.470 -0.000 0.000 0.371 132 S C 0.573 175.203 174.600 0.051 0.000 1.196 132 S CA -0.159 58.068 58.200 0.046 0.000 0.989 132 S CB -1.054 62.158 63.200 0.020 0.000 0.695 132 S HN 1.602 nan 8.310 nan 0.000 0.499 133 S N 3.279 119.005 115.700 0.044 0.000 2.952 133 S HA 0.356 4.826 4.470 -0.000 0.000 0.351 133 S C 1.432 176.053 174.600 0.036 0.000 1.211 133 S CA -0.147 58.076 58.200 0.038 0.000 1.002 133 S CB -0.582 62.633 63.200 0.024 0.000 0.702 133 S HN 2.399 nan 8.310 nan 0.000 0.495 134 G N 2.920 111.744 108.800 0.039 0.000 3.141 134 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.205 134 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.205 134 G C -0.102 174.827 174.900 0.049 0.000 1.924 134 G CA -0.422 44.699 45.100 0.036 0.000 1.573 134 G HN 1.027 nan 8.290 nan 0.000 0.591 135 L N 2.442 123.700 121.223 0.058 0.000 2.525 135 L HA 0.418 4.758 4.340 -0.000 0.000 0.278 135 L C 2.045 178.978 176.870 0.106 0.000 1.218 135 L CA 0.425 55.311 54.840 0.077 0.000 0.878 135 L CB 0.213 42.323 42.059 0.085 0.000 1.127 135 L HN 0.522 nan 8.230 nan 0.000 0.492 136 G N 1.547 110.411 108.800 0.105 0.000 2.396 136 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.214 136 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.214 136 G C 0.368 175.389 174.900 0.201 0.000 1.166 136 G CA -0.182 44.998 45.100 0.133 0.000 0.793 136 G HN 0.766 nan 8.290 nan 0.000 0.533 137 D N 0.221 120.713 120.400 0.153 0.000 2.949 137 D HA 0.107 4.747 4.640 -0.000 0.000 0.208 137 D C -0.125 176.290 176.300 0.191 0.000 1.104 137 D CA 1.202 55.243 54.000 0.068 0.000 0.801 137 D CB 0.000 40.903 40.800 0.172 0.000 1.182 137 D HN 0.548 nan 8.370 nan 0.000 0.517 138 Y N -1.406 118.745 120.300 -0.249 0.000 2.687 138 Y HA 0.526 5.076 4.550 -0.000 0.000 0.338 138 Y C -2.375 173.377 175.900 -0.247 0.000 1.189 138 Y CA -1.503 56.538 58.100 -0.099 0.000 1.097 138 Y CB 0.623 39.097 38.460 0.023 0.000 1.342 138 Y HN 0.273 nan 8.280 nan 0.000 0.461 139 L N 2.344 123.637 121.223 0.117 0.000 2.410 139 L HA 0.728 5.068 4.340 -0.000 0.000 0.270 139 L C -1.328 175.603 176.870 0.101 0.000 0.983 139 L CA -0.384 54.456 54.840 -0.001 0.000 0.822 139 L CB 2.158 44.225 42.059 0.013 0.000 1.285 139 L HN 0.878 nan 8.230 nan 0.000 0.409 140 E N 3.795 123.999 120.200 0.007 0.000 2.275 140 E HA 0.475 4.825 4.350 -0.000 0.000 0.270 140 E C -1.977 174.423 176.600 -0.333 0.000 0.882 140 E CA -0.850 55.506 56.400 -0.072 0.000 0.758 140 E CB 2.069 31.816 29.700 0.079 0.000 1.195 140 E HN 0.620 nan 8.360 nan 0.000 0.419 141 L N 6.466 127.493 121.223 -0.328 0.000 2.294 141 L HA 0.444 4.784 4.340 -0.000 0.000 0.283 141 L C -1.073 175.592 176.870 -0.342 0.000 1.015 141 L CA -0.079 54.517 54.840 -0.407 0.000 0.831 141 L CB 0.628 42.510 42.059 -0.294 0.000 1.217 141 L HN 0.621 nan 8.230 nan 0.000 0.420 142 H N 3.440 122.405 119.070 -0.175 0.000 2.931 142 H HA 0.623 5.179 4.556 -0.000 0.000 0.331 142 H C -1.165 174.074 175.328 -0.148 0.000 1.273 142 H CA -1.337 54.611 56.048 -0.167 0.000 1.171 142 H CB 1.764 31.461 29.762 -0.108 0.000 1.898 142 H HN 0.444 nan 8.280 nan 0.000 0.562 143 I N 1.867 122.510 120.570 0.123 0.000 2.411 143 I HA 0.100 4.270 4.170 -0.000 0.000 0.284 143 I C -0.957 175.215 176.117 0.093 0.000 1.012 143 I CA -0.415 60.924 61.300 0.065 0.000 1.119 143 I CB 1.098 39.090 38.000 -0.014 0.000 1.261 143 I HN 0.513 nan 8.210 nan 0.000 0.448 144 H N 6.494 125.548 119.070 -0.027 0.000 2.595 144 H HA 0.283 4.839 4.556 -0.000 0.000 0.313 144 H C -0.363 174.936 175.328 -0.048 0.000 1.023 144 H CA -0.186 55.807 56.048 -0.091 0.000 1.218 144 H CB 0.734 30.402 29.762 -0.157 0.000 1.403 144 H HN 0.537 nan 8.280 nan 0.000 0.477 145 Q N 3.709 123.312 119.800 -0.329 0.000 2.468 145 Q HA -0.223 4.117 4.340 -0.000 0.000 0.289 145 Q C 0.896 176.822 176.000 -0.124 0.000 1.299 145 Q CA 0.864 56.503 55.803 -0.273 0.000 0.838 145 Q CB -1.614 26.888 28.738 -0.394 0.000 1.195 145 Q HN 1.258 nan 8.270 nan 0.000 0.456 146 G N -0.467 108.296 108.800 -0.061 0.000 2.184 146 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.264 146 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.264 146 G C -0.049 174.836 174.900 -0.025 0.000 0.975 146 G CA 0.739 45.825 45.100 -0.022 0.000 0.642 146 G HN 0.306 nan 8.290 nan 0.000 0.536 147 K N -0.130 120.254 120.400 -0.027 0.000 2.323 147 K HA 0.636 4.956 4.320 -0.000 0.000 0.259 147 K C -0.356 176.249 176.600 0.009 0.000 0.947 147 K CA -1.134 55.135 56.287 -0.030 0.000 0.819 147 K CB 2.388 34.866 32.500 -0.036 0.000 1.109 147 K HN 0.108 nan 8.250 nan 0.000 0.429 148 I N 2.083 122.645 120.570 -0.012 0.000 2.588 148 I HA 0.256 4.426 4.170 -0.000 0.000 0.283 148 I C 0.292 176.416 176.117 0.012 0.000 1.119 148 I CA 1.060 62.346 61.300 -0.024 0.000 1.419 148 I CB 0.573 38.558 38.000 -0.026 0.000 1.394 148 I HN 0.774 nan 8.210 nan 0.000 0.562 149 G N 5.294 114.097 108.800 0.005 0.000 2.645 149 G HA2 0.673 4.632 3.960 -0.000 0.000 0.292 149 G HA3 0.673 4.632 3.960 -0.000 0.000 0.292 149 G C -2.010 172.737 174.900 -0.255 0.000 1.415 149 G CA -0.558 44.536 45.100 -0.011 0.000 0.785 149 G HN 0.514 nan 8.290 nan 0.000 0.483 150 V N 0.122 119.900 119.914 -0.226 0.000 2.841 150 V HA 0.699 4.819 4.120 -0.000 0.000 0.310 150 V C -0.576 175.385 176.094 -0.222 0.000 1.090 150 V CA -0.885 61.172 62.300 -0.405 0.000 0.930 150 V CB 2.128 33.644 31.823 -0.512 0.000 1.014 150 V HN 0.817 nan 8.190 nan 0.000 0.425 151 K N 4.019 124.281 120.400 -0.230 0.000 2.443 151 K HA 0.756 5.076 4.320 -0.000 0.000 0.252 151 K C -1.711 174.852 176.600 -0.061 0.000 0.933 151 K CA -0.404 55.840 56.287 -0.072 0.000 0.792 151 K CB 2.087 34.651 32.500 0.107 0.000 1.185 151 K HN 0.618 nan 8.250 nan 0.000 0.425 152 F N 0.521 120.272 119.950 -0.331 0.000 2.715 152 F HA 0.618 5.145 4.527 -0.000 0.000 0.318 152 F C -1.518 173.849 175.800 -0.722 0.000 1.141 152 F CA -1.023 56.578 58.000 -0.665 0.000 0.950 152 F CB 1.538 40.259 39.000 -0.465 0.000 1.374 152 F HN 0.401 nan 8.300 nan 0.000 0.477 153 N N 0.481 118.771 118.700 -0.682 0.000 2.600 153 N HA 0.309 5.049 4.740 -0.000 0.000 0.272 153 N C -0.782 174.547 175.510 -0.302 0.000 1.095 153 N CA -0.229 52.536 53.050 -0.474 0.000 0.993 153 N CB 2.375 40.579 38.487 -0.471 0.000 1.603 153 N HN 0.993 nan 8.380 nan 0.000 0.526 154 V N 0.932 120.783 119.914 -0.106 0.000 3.528 154 V HA 0.640 4.760 4.120 -0.000 0.000 0.294 154 V C 1.017 177.102 176.094 -0.015 0.000 1.404 154 V CA 1.091 63.347 62.300 -0.072 0.000 1.065 154 V CB 0.361 32.186 31.823 0.003 0.000 0.904 154 V HN 0.805 nan 8.190 nan 0.000 0.435 155 G N -0.364 108.419 108.800 -0.029 0.000 3.511 155 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.218 155 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.218 155 G C 0.514 175.405 174.900 -0.014 0.000 1.001 155 G CA 0.451 45.548 45.100 -0.005 0.000 0.877 155 G HN 0.397 nan 8.290 nan 0.000 0.450 156 T N 1.434 115.971 114.554 -0.029 0.000 3.028 156 T HA 0.364 4.714 4.350 -0.000 0.000 0.181 156 T C 0.446 175.116 174.700 -0.051 0.000 0.687 156 T CA 0.824 62.905 62.100 -0.032 0.000 2.364 156 T CB -0.009 68.841 68.868 -0.030 0.000 2.516 156 T HN 0.270 nan 8.240 nan 0.000 0.365 157 D N 1.225 121.580 120.400 -0.076 0.000 2.564 157 D HA 0.316 4.956 4.640 -0.000 0.000 0.273 157 D C -0.856 175.347 176.300 -0.162 0.000 1.192 157 D CA -0.494 53.452 54.000 -0.089 0.000 1.080 157 D CB 0.423 41.175 40.800 -0.079 0.000 1.160 157 D HN 0.245 nan 8.370 nan 0.000 0.607 158 D N 0.474 120.779 120.400 -0.158 0.000 2.277 158 D HA 0.353 4.993 4.640 -0.000 0.000 0.249 158 D C -0.110 175.989 176.300 -0.336 0.000 1.134 158 D CA -0.012 53.841 54.000 -0.245 0.000 0.863 158 D CB 1.453 42.192 40.800 -0.102 0.000 1.143 158 D HN 0.172 nan 8.370 nan 0.000 0.458 159 I N 1.586 121.771 120.570 -0.641 0.000 2.404 159 I HA 0.506 4.676 4.170 -0.000 0.000 0.293 159 I C 0.036 175.812 176.117 -0.568 0.000 0.992 159 I CA -0.706 60.211 61.300 -0.638 0.000 1.149 159 I CB 1.816 39.291 38.000 -0.876 0.000 1.315 159 I HN 0.269 nan 8.210 nan 0.000 0.446 160 A N 7.227 129.914 122.820 -0.222 0.000 2.413 160 A HA 0.904 5.224 4.320 -0.000 0.000 0.307 160 A C -1.174 176.437 177.584 0.044 0.000 1.087 160 A CA -0.585 51.410 52.037 -0.070 0.000 0.750 160 A CB 1.987 20.971 19.000 -0.028 0.000 1.296 160 A HN 0.738 nan 8.150 nan 0.000 0.423 161 I N 0.482 121.118 120.570 0.109 0.000 2.692 161 I HA 0.607 4.777 4.170 -0.000 0.000 0.293 161 I C -1.120 175.068 176.117 0.119 0.000 1.200 161 I CA -0.171 61.218 61.300 0.148 0.000 1.036 161 I CB 1.822 39.975 38.000 0.255 0.000 1.258 161 I HN 0.931 nan 8.210 nan 0.000 0.421 162 E N 5.320 125.579 120.200 0.098 0.000 2.372 162 E HA 0.261 4.611 4.350 -0.000 0.000 0.279 162 E C -1.689 174.941 176.600 0.050 0.000 0.946 162 E CA -0.681 55.765 56.400 0.077 0.000 0.769 162 E CB 1.934 31.685 29.700 0.085 0.000 1.230 162 E HN 0.517 nan 8.360 nan 0.000 0.442 163 E N 1.949 122.162 120.200 0.021 0.000 1.893 163 E HA 0.136 4.485 4.350 -0.000 0.000 0.269 163 E C -0.060 176.495 176.600 -0.075 0.000 1.129 163 E CA 0.118 56.496 56.400 -0.038 0.000 0.904 163 E CB 0.364 30.015 29.700 -0.083 0.000 1.077 163 E HN 0.496 nan 8.360 nan 0.000 0.407 164 S N 3.262 118.934 115.700 -0.047 0.000 2.501 164 S HA 0.018 4.488 4.470 -0.000 0.000 0.220 164 S C 1.197 175.750 174.600 -0.080 0.000 0.997 164 S CA -0.039 58.133 58.200 -0.048 0.000 0.919 164 S CB -0.023 63.171 63.200 -0.010 0.000 0.778 164 S HN 0.375 nan 8.310 nan 0.000 0.523 165 N N 2.933 121.568 118.700 -0.109 0.000 2.131 165 N HA 0.182 4.922 4.740 -0.000 0.000 0.190 165 N C 1.087 176.472 175.510 -0.209 0.000 1.055 165 N CA 1.059 54.044 53.050 -0.109 0.000 0.853 165 N CB -1.031 37.422 38.487 -0.058 0.000 1.035 165 N HN 0.517 nan 8.380 nan 0.000 0.440 166 A N 1.317 123.846 122.820 -0.484 0.000 2.475 166 A HA 0.290 4.610 4.320 -0.000 0.000 0.239 166 A C 0.259 177.579 177.584 -0.441 0.000 1.087 166 A CA 0.091 51.689 52.037 -0.732 0.000 0.779 166 A CB -0.031 17.803 19.000 -1.943 0.000 1.036 166 A HN 0.403 nan 8.150 nan 0.000 0.506 167 I N 0.600 120.965 120.570 -0.343 0.000 2.646 167 I HA 0.505 4.675 4.170 -0.000 0.000 0.299 167 I C -0.116 175.844 176.117 -0.262 0.000 1.036 167 I CA -0.791 60.389 61.300 -0.200 0.000 1.074 167 I CB 1.844 39.799 38.000 -0.074 0.000 1.258 167 I HN 0.623 nan 8.210 nan 0.000 0.430 168 I N 2.941 123.404 120.570 -0.179 0.000 4.541 168 I HA 0.266 4.436 4.170 -0.000 0.000 0.337 168 I C 0.464 176.673 176.117 0.152 0.000 1.338 168 I CA -0.063 61.089 61.300 -0.247 0.000 1.244 168 I CB -0.515 37.378 38.000 -0.178 0.000 1.417 168 I HN 0.499 nan 8.210 nan 0.000 0.501 169 N N 1.448 120.232 118.700 0.139 0.000 2.389 169 N HA -0.037 4.703 4.740 -0.000 0.000 0.237 169 N C 0.104 175.710 175.510 0.161 0.000 1.148 169 N CA 0.331 53.493 53.050 0.188 0.000 0.854 169 N CB -0.435 38.125 38.487 0.121 0.000 1.115 169 N HN 0.539 nan 8.380 nan 0.000 0.492 170 D N -0.923 119.591 120.400 0.191 0.000 2.370 170 D HA 0.148 4.788 4.640 -0.000 0.000 0.230 170 D C 1.232 177.619 176.300 0.145 0.000 1.143 170 D CA -0.044 54.051 54.000 0.159 0.000 0.834 170 D CB -0.579 40.326 40.800 0.175 0.000 0.944 170 D HN 0.291 nan 8.370 nan 0.000 0.504 171 G N 0.129 109.023 108.800 0.157 0.000 2.196 171 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.268 171 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.268 171 G C 0.336 175.283 174.900 0.079 0.000 0.975 171 G CA 0.812 45.981 45.100 0.115 0.000 0.648 171 G HN 0.528 nan 8.290 nan 0.000 0.538 172 K N -1.043 119.404 120.400 0.078 0.000 2.132 172 K HA 0.544 4.864 4.320 -0.000 0.000 0.241 172 K C -0.070 176.433 176.600 -0.163 0.000 1.000 172 K CA -1.152 55.106 56.287 -0.050 0.000 0.911 172 K CB 0.932 33.386 32.500 -0.078 0.000 1.093 172 K HN 0.011 nan 8.250 nan 0.000 0.460 173 Y N 2.383 122.434 120.300 -0.414 0.000 2.526 173 Y HA 0.046 4.596 4.550 -0.000 0.000 0.330 173 Y C -0.473 175.002 175.900 -0.708 0.000 1.156 173 Y CA 0.114 57.940 58.100 -0.456 0.000 1.419 173 Y CB 0.099 38.344 38.460 -0.358 0.000 1.250 173 Y HN 0.429 nan 8.280 nan 0.000 0.540 174 H N 3.625 122.784 119.070 0.148 0.000 2.974 174 H HA 0.494 5.050 4.556 -0.000 0.000 0.366 174 H C -1.358 173.885 175.328 -0.141 0.000 1.155 174 H CA -0.699 55.206 56.048 -0.239 0.000 1.186 174 H CB 1.956 31.360 29.762 -0.596 0.000 1.799 174 H HN 0.392 nan 8.280 nan 0.000 0.541 175 V N 2.814 122.819 119.914 0.152 0.000 2.487 175 V HA 0.281 4.401 4.120 -0.000 0.000 0.298 175 V C -0.321 175.956 176.094 0.305 0.000 1.028 175 V CA -0.732 61.721 62.300 0.255 0.000 0.860 175 V CB 2.359 34.272 31.823 0.150 0.000 0.991 175 V HN 0.466 nan 8.190 nan 0.000 0.427 176 V N 7.020 127.158 119.914 0.374 0.000 2.628 176 V HA 0.707 4.827 4.120 -0.000 0.000 0.306 176 V C -0.548 175.701 176.094 0.258 0.000 1.045 176 V CA -0.582 61.906 62.300 0.314 0.000 0.905 176 V CB 2.029 34.049 31.823 0.329 0.000 0.997 176 V HN 0.931 nan 8.190 nan 0.000 0.436 177 R N 5.527 126.164 120.500 0.228 0.000 2.513 177 R HA 0.490 4.830 4.340 -0.000 0.000 0.301 177 R C -1.576 174.870 176.300 0.243 0.000 0.968 177 R CA -0.398 55.831 56.100 0.215 0.000 0.872 177 R CB 2.243 32.634 30.300 0.152 0.000 1.177 177 R HN 0.670 nan 8.270 nan 0.000 0.444 178 F N 1.155 121.165 119.950 0.101 0.000 2.458 178 F HA 0.555 5.082 4.527 -0.000 0.000 0.330 178 F C -0.556 175.275 175.800 0.052 0.000 1.082 178 F CA -0.252 57.790 58.000 0.070 0.000 0.995 178 F CB 2.307 41.341 39.000 0.057 0.000 1.170 178 F HN 0.276 nan 8.300 nan 0.000 0.478 179 T N 5.964 119.830 114.554 -1.147 0.000 2.952 179 T HA 0.461 4.811 4.350 -0.000 0.000 0.305 179 T C -1.415 172.600 174.700 -1.142 0.000 1.064 179 T CA -0.654 60.939 62.100 -0.845 0.000 1.008 179 T CB 1.437 70.085 68.868 -0.367 0.000 1.078 179 T HN 0.769 nan 8.240 nan 0.000 0.459 180 R N 1.531 121.596 120.500 -0.726 0.000 2.744 180 R HA 0.710 5.050 4.340 -0.000 0.000 0.279 180 R C -1.278 174.848 176.300 -0.291 0.000 0.977 180 R CA -0.581 55.201 56.100 -0.530 0.000 0.906 180 R CB 1.651 31.659 30.300 -0.488 0.000 1.197 180 R HN 0.590 nan 8.270 nan 0.000 0.463 181 S N 2.660 118.224 115.700 -0.227 0.000 2.386 181 S HA 0.440 4.909 4.470 -0.000 0.000 0.152 181 S C 0.227 174.758 174.600 -0.115 0.000 1.511 181 S CA 0.380 58.488 58.200 -0.153 0.000 1.246 181 S CB 0.363 63.468 63.200 -0.158 0.000 1.338 181 S HN 1.170 nan 8.310 nan 0.000 0.409 182 G N 3.398 112.149 108.800 -0.082 0.000 2.543 182 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.286 182 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.286 182 G C 0.952 175.870 174.900 0.031 0.000 1.153 182 G CA 0.223 45.306 45.100 -0.027 0.000 0.968 182 G HN 1.600 nan 8.290 nan 0.000 0.544 183 G N 0.633 109.468 108.800 0.058 0.000 2.411 183 G HA2 0.144 4.104 3.960 -0.000 0.000 0.213 183 G HA3 0.144 4.104 3.960 -0.000 0.000 0.213 183 G C 0.716 175.715 174.900 0.165 0.000 1.166 183 G CA 0.899 46.098 45.100 0.164 0.000 0.802 183 G HN 0.775 nan 8.290 nan 0.000 0.533 184 N N 1.668 120.350 118.700 -0.030 0.000 2.412 184 N HA 0.394 5.134 4.740 -0.000 0.000 0.258 184 N C 0.063 175.511 175.510 -0.103 0.000 1.236 184 N CA 0.669 53.614 53.050 -0.175 0.000 0.882 184 N CB 1.278 39.479 38.487 -0.477 0.000 1.066 184 N HN 0.382 nan 8.380 nan 0.000 0.465 185 A N 1.293 124.104 122.820 -0.015 0.000 2.530 185 A HA 0.818 5.138 4.320 -0.000 0.000 0.288 185 A C -0.448 177.119 177.584 -0.029 0.000 1.172 185 A CA -0.530 51.475 52.037 -0.053 0.000 0.733 185 A CB 1.801 20.951 19.000 0.249 0.000 1.320 185 A HN 0.449 nan 8.150 nan 0.000 0.419 186 T N 0.060 114.512 114.554 -0.171 0.000 2.956 186 T HA 0.585 4.935 4.350 -0.000 0.000 0.312 186 T C -1.804 172.901 174.700 0.008 0.000 1.151 186 T CA -0.187 61.885 62.100 -0.047 0.000 1.024 186 T CB 1.222 70.044 68.868 -0.077 0.000 1.140 186 T HN 0.936 nan 8.240 nan 0.000 0.473 187 L N 2.650 123.950 121.223 0.129 0.000 2.393 187 L HA 0.776 5.116 4.340 -0.000 0.000 0.260 187 L C -1.464 175.499 176.870 0.154 0.000 1.002 187 L CA -0.262 54.695 54.840 0.194 0.000 0.818 187 L CB 2.159 44.359 42.059 0.235 0.000 1.369 187 L HN 0.600 nan 8.230 nan 0.000 0.412 188 Q N 2.999 122.900 119.800 0.170 0.000 2.313 188 Q HA 0.478 4.818 4.340 -0.000 0.000 0.255 188 Q C -2.181 173.942 176.000 0.206 0.000 0.944 188 Q CA -0.475 55.432 55.803 0.174 0.000 0.881 188 Q CB 2.307 31.132 28.738 0.146 0.000 1.375 188 Q HN 0.551 nan 8.270 nan 0.000 0.422 189 V N 4.114 124.172 119.914 0.240 0.000 2.483 189 V HA 0.285 4.405 4.120 -0.000 0.000 0.295 189 V C 0.693 177.053 176.094 0.443 0.000 1.035 189 V CA -0.197 62.274 62.300 0.284 0.000 0.896 189 V CB 1.519 33.428 31.823 0.144 0.000 0.986 189 V HN 0.965 nan 8.190 nan 0.000 0.447 190 D N 3.246 123.867 120.400 0.367 0.000 4.304 190 D HA -0.285 4.355 4.640 -0.000 0.000 0.242 190 D C 1.267 177.683 176.300 0.193 0.000 0.625 190 D CA 2.346 56.527 54.000 0.301 0.000 0.997 190 D CB -0.696 40.392 40.800 0.481 0.000 0.459 190 D HN 0.677 nan 8.370 nan 0.000 0.378 191 S N -0.945 114.831 115.700 0.126 0.000 2.733 191 S HA 0.090 4.560 4.470 -0.000 0.000 0.247 191 S C 0.349 174.937 174.600 -0.019 0.000 1.043 191 S CA -0.641 57.549 58.200 -0.016 0.000 1.066 191 S CB 0.778 63.885 63.200 -0.154 0.000 1.045 191 S HN 0.266 nan 8.310 nan 0.000 0.586 192 W N 4.241 125.564 121.300 0.038 0.000 2.186 192 W HA 0.080 4.740 4.660 -0.000 0.000 0.355 192 W C -2.196 174.344 176.519 0.035 0.000 1.293 192 W CA -0.807 56.560 57.345 0.037 0.000 1.316 192 W CB -0.333 29.154 29.460 0.044 0.000 1.212 192 W HN 0.051 nan 8.180 nan 0.000 0.610 193 P HA -0.003 nan 4.420 nan 0.000 0.268 193 P C -0.426 176.969 177.300 0.158 0.000 1.208 193 P CA 0.091 63.281 63.100 0.150 0.000 0.777 193 P CB 0.666 32.441 31.700 0.125 0.000 0.875 194 V N 4.004 123.986 119.914 0.113 0.000 2.555 194 V HA 0.067 4.187 4.120 -0.000 0.000 0.286 194 V C 0.979 177.134 176.094 0.101 0.000 1.044 194 V CA 0.009 62.374 62.300 0.107 0.000 1.026 194 V CB -0.009 31.863 31.823 0.082 0.000 0.981 194 V HN 0.334 nan 8.190 nan 0.000 0.480 195 I N 5.086 125.723 120.570 0.111 0.000 2.396 195 I HA 0.404 4.574 4.170 -0.000 0.000 0.292 195 I C 0.172 176.363 176.117 0.123 0.000 0.999 195 I CA -0.246 61.117 61.300 0.107 0.000 1.310 195 I CB 1.009 39.076 38.000 0.111 0.000 1.404 195 I HN 0.630 nan 8.210 nan 0.000 0.496 196 E N 5.247 125.522 120.200 0.124 0.000 2.218 196 E HA 0.469 4.819 4.350 -0.000 0.000 0.263 196 E C -0.972 175.775 176.600 0.245 0.000 0.879 196 E CA -1.007 55.522 56.400 0.215 0.000 0.762 196 E CB 2.569 32.401 29.700 0.219 0.000 1.166 196 E HN 0.279 nan 8.360 nan 0.000 0.415 197 R N 2.354 123.057 120.500 0.339 0.000 2.387 197 R HA 0.311 4.650 4.340 -0.000 0.000 0.314 197 R C -1.691 174.906 176.300 0.495 0.000 0.958 197 R CA -0.507 55.782 56.100 0.315 0.000 0.846 197 R CB 0.471 30.907 30.300 0.227 0.000 1.147 197 R HN 0.459 nan 8.270 nan 0.000 0.447 198 Y N 5.801 126.130 120.300 0.048 0.000 2.658 198 Y HA 0.327 4.877 4.550 -0.000 0.000 0.362 198 Y C -1.814 174.104 175.900 0.031 0.000 1.017 198 Y CA -2.978 55.146 58.100 0.040 0.000 1.134 198 Y CB 0.170 38.647 38.460 0.027 0.000 1.144 198 Y HN 0.599 nan 8.280 nan 0.000 0.655 199 P HA -0.157 nan 4.420 nan 0.000 0.271 199 P C 0.519 177.855 177.300 0.061 0.000 1.179 199 P CA 0.412 63.553 63.100 0.069 0.000 0.766 199 P CB 0.937 32.656 31.700 0.031 0.000 0.789 232 R N 1.018 121.521 120.500 0.006 0.000 2.390 232 R HA 0.495 4.835 4.340 -0.000 0.000 0.291 232 R C -0.836 175.466 176.300 0.003 0.000 1.070 232 R CA -0.113 55.990 56.100 0.005 0.000 1.014 232 R CB 0.648 30.950 30.300 0.004 0.000 1.007 232 R HN 0.373 nan 8.270 nan 0.000 0.466 233 Q N 3.364 123.167 119.800 0.005 0.000 2.377 233 Q HA 0.342 4.682 4.340 -0.000 0.000 0.271 233 Q C -0.398 175.607 176.000 0.009 0.000 1.077 233 Q CA -0.808 54.999 55.803 0.006 0.000 0.820 233 Q CB 2.396 31.142 28.738 0.013 0.000 1.347 233 Q HN 0.571 nan 8.270 nan 0.000 0.444 234 L N 0.290 121.520 121.223 0.011 0.000 2.456 234 L HA 0.334 4.673 4.340 -0.000 0.000 0.257 234 L C 1.042 177.926 176.870 0.024 0.000 1.162 234 L CA 0.138 54.987 54.840 0.015 0.000 0.808 234 L CB 0.837 42.904 42.059 0.014 0.000 1.136 234 L HN 0.692 nan 8.230 nan 0.000 0.466 235 T N 0.559 115.126 114.554 0.021 0.000 3.026 235 T HA 0.347 4.696 4.350 -0.000 0.000 0.245 235 T C 0.544 175.263 174.700 0.033 0.000 1.004 235 T CA 0.084 62.196 62.100 0.020 0.000 1.069 235 T CB 0.296 69.167 68.868 0.005 0.000 1.005 235 T HN 0.211 nan 8.240 nan 0.000 0.472 236 I N 2.179 122.776 120.570 0.045 0.000 2.353 236 I HA 0.308 4.478 4.170 -0.000 0.000 0.293 236 I C -0.767 175.443 176.117 0.154 0.000 0.992 236 I CA -0.838 60.508 61.300 0.077 0.000 1.268 236 I CB 1.129 39.158 38.000 0.048 0.000 1.387 236 I HN 0.101 nan 8.210 nan 0.000 0.478 237 F N 6.935 126.877 119.950 -0.013 0.000 2.462 237 F HA 0.305 4.832 4.527 -0.000 0.000 0.354 237 F C 0.124 175.910 175.800 -0.023 0.000 1.192 237 F CA -1.355 56.644 58.000 -0.002 0.000 1.173 237 F CB -0.820 38.184 39.000 0.007 0.000 1.402 237 F HN 0.427 nan 8.300 nan 0.000 0.595 238 N N 2.187 121.048 118.700 0.269 0.000 2.508 238 N HA 0.046 4.786 4.740 -0.000 0.000 0.264 238 N C 0.246 175.735 175.510 -0.036 0.000 1.216 238 N CA 0.079 53.170 53.050 0.069 0.000 0.943 238 N CB 0.523 39.052 38.487 0.070 0.000 1.113 238 N HN 0.475 nan 8.380 nan 0.000 0.447 239 S N 0.305 115.934 115.700 -0.118 0.000 3.415 239 S HA -0.265 4.205 4.470 -0.000 0.000 0.257 239 S C -0.463 173.999 174.600 -0.231 0.000 0.773 239 S CA 0.210 58.308 58.200 -0.170 0.000 1.382 239 S CB -1.070 62.082 63.200 -0.080 0.000 1.146 239 S HN 0.475 nan 8.310 nan 0.000 0.432 240 Q N 1.988 121.508 119.800 -0.467 0.000 2.296 240 Q HA 0.504 4.844 4.340 -0.000 0.000 0.262 240 Q C 1.007 176.857 176.000 -0.249 0.000 0.981 240 Q CA 0.433 55.922 55.803 -0.524 0.000 0.905 240 Q CB 1.049 29.241 28.738 -0.911 0.000 1.186 240 Q HN 0.715 nan 8.270 nan 0.000 0.399 241 A N 2.391 125.267 122.820 0.093 0.000 2.211 241 A HA 0.168 4.488 4.320 -0.000 0.000 0.208 241 A C 0.332 178.140 177.584 0.374 0.000 1.250 241 A CA 0.594 52.785 52.037 0.258 0.000 0.935 241 A CB 0.787 19.850 19.000 0.105 0.000 0.982 241 A HN 0.679 nan 8.150 nan 0.000 0.490 242 T N -1.833 112.913 114.554 0.319 0.000 3.041 242 T HA 0.656 5.006 4.350 -0.000 0.000 0.321 242 T C -1.045 173.711 174.700 0.093 0.000 1.184 242 T CA -0.355 61.825 62.100 0.135 0.000 1.050 242 T CB 1.026 69.923 68.868 0.049 0.000 1.159 242 T HN 0.134 nan 8.240 nan 0.000 0.469 243 I N 3.365 123.914 120.570 -0.035 0.000 2.330 243 I HA 0.455 4.625 4.170 -0.000 0.000 0.289 243 I C -0.455 175.623 176.117 -0.065 0.000 1.001 243 I CA -1.011 60.237 61.300 -0.087 0.000 1.193 243 I CB 1.333 39.219 38.000 -0.191 0.000 1.345 243 I HN 0.577 nan 8.210 nan 0.000 0.461 244 I N 7.689 128.224 120.570 -0.059 0.000 2.382 244 I HA 0.399 4.569 4.170 -0.000 0.000 0.285 244 I C -0.350 175.725 176.117 -0.070 0.000 1.007 244 I CA -0.447 60.825 61.300 -0.047 0.000 1.142 244 I CB 1.374 39.358 38.000 -0.027 0.000 1.289 244 I HN 0.395 nan 8.210 nan 0.000 0.453 245 I N 5.573 126.109 120.570 -0.057 0.000 2.321 245 I HA 0.547 4.717 4.170 -0.000 0.000 0.291 245 I C 0.982 177.075 176.117 -0.041 0.000 0.998 245 I CA 0.003 61.252 61.300 -0.085 0.000 1.227 245 I CB 1.470 39.442 38.000 -0.046 0.000 1.368 245 I HN 0.876 nan 8.210 nan 0.000 0.466 246 G N 3.467 112.147 108.800 -0.200 0.000 2.551 246 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.186 246 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.186 246 G C 0.929 175.779 174.900 -0.084 0.000 1.002 246 G CA -0.229 44.768 45.100 -0.172 0.000 0.723 246 G HN 1.169 nan 8.290 nan 0.000 0.481 247 G N 0.738 109.482 108.800 -0.094 0.000 2.416 247 G HA2 -0.344 3.615 3.960 -0.000 0.000 0.301 247 G HA3 -0.344 3.615 3.960 -0.000 0.000 0.301 247 G C 0.901 175.797 174.900 -0.007 0.000 0.985 247 G CA 2.030 47.096 45.100 -0.057 0.000 0.934 247 G HN 0.931 nan 8.290 nan 0.000 0.513 248 K N -0.594 119.814 120.400 0.013 0.000 2.121 248 K HA 0.111 4.431 4.320 -0.000 0.000 0.203 248 K C 2.139 178.746 176.600 0.012 0.000 1.041 248 K CA 0.739 57.044 56.287 0.030 0.000 0.969 248 K CB -0.032 32.504 32.500 0.060 0.000 0.799 248 K HN 0.367 nan 8.250 nan 0.000 0.456 249 E N 0.500 120.703 120.200 0.005 0.000 2.130 249 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 249 E C 1.398 177.986 176.600 -0.020 0.000 0.998 249 E CA 1.441 57.838 56.400 -0.006 0.000 0.806 249 E CB 0.178 29.873 29.700 -0.008 0.000 0.738 249 E HN 0.264 nan 8.360 nan 0.000 0.459 250 Q N -0.863 118.920 119.800 -0.028 0.000 2.482 250 Q HA 0.130 4.470 4.340 -0.000 0.000 0.209 250 Q C 0.704 176.683 176.000 -0.036 0.000 0.961 250 Q CA 0.730 56.506 55.803 -0.045 0.000 0.945 250 Q CB 0.595 29.300 28.738 -0.055 0.000 1.012 250 Q HN 0.388 nan 8.270 nan 0.000 0.515 251 G N 0.938 109.726 108.800 -0.020 0.000 2.256 251 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.272 251 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.272 251 G C -0.256 174.639 174.900 -0.009 0.000 1.076 251 G CA 0.056 45.148 45.100 -0.014 0.000 0.882 251 G HN 0.378 nan 8.290 nan 0.000 0.497 252 Q N -1.208 118.593 119.800 0.001 0.000 3.693 252 Q HA 0.145 4.485 4.340 -0.000 0.000 0.226 252 Q C -2.814 173.206 176.000 0.034 0.000 0.757 252 Q CA -1.499 54.311 55.803 0.011 0.000 0.891 252 Q CB 1.841 30.579 28.738 -0.000 0.000 1.561 252 Q HN 0.332 nan 8.270 nan 0.000 0.390 253 P HA -0.139 nan 4.420 nan 0.000 0.266 253 P C -0.870 176.493 177.300 0.106 0.000 1.180 253 P CA 0.492 63.633 63.100 0.069 0.000 0.765 253 P CB 0.279 32.015 31.700 0.059 0.000 0.806 254 F N 3.068 122.964 119.950 -0.089 0.000 2.458 254 F HA 0.419 4.946 4.527 -0.000 0.000 0.330 254 F C -0.329 175.448 175.800 -0.039 0.000 1.082 254 F CA -0.331 57.588 58.000 -0.135 0.000 0.995 254 F CB 1.461 40.259 39.000 -0.336 0.000 1.170 254 F HN 0.254 nan 8.300 nan 0.000 0.478 255 Q N 4.459 123.733 119.800 -0.877 0.000 2.295 255 Q HA 0.620 4.960 4.340 -0.000 0.000 0.259 255 Q C -0.433 175.055 176.000 -0.854 0.000 0.966 255 Q CA -0.662 54.790 55.803 -0.584 0.000 0.763 255 Q CB 1.958 30.562 28.738 -0.223 0.000 1.283 255 Q HN 1.085 nan 8.270 nan 0.000 0.445 256 G N 1.779 110.208 108.800 -0.618 0.000 2.491 256 G HA2 0.080 4.040 3.960 -0.000 0.000 0.183 256 G HA3 0.080 4.040 3.960 -0.000 0.000 0.183 256 G C -1.721 173.269 174.900 0.150 0.000 1.221 256 G CA -0.665 44.278 45.100 -0.261 0.000 0.996 256 G HN 0.361 nan 8.290 nan 0.000 0.474 257 Q N -0.312 119.716 119.800 0.380 0.000 2.347 257 Q HA 0.711 5.051 4.340 -0.000 0.000 0.271 257 Q C -1.163 175.088 176.000 0.418 0.000 1.064 257 Q CA -0.541 55.522 55.803 0.433 0.000 0.800 257 Q CB 2.877 31.843 28.738 0.381 0.000 1.304 257 Q HN 0.464 nan 8.270 nan 0.000 0.438 258 L N 1.431 122.836 121.223 0.304 0.000 2.365 258 L HA 0.737 5.077 4.340 -0.000 0.000 0.273 258 L C -0.395 176.452 176.870 -0.038 0.000 1.000 258 L CA -0.633 54.304 54.840 0.162 0.000 0.819 258 L CB 2.033 44.231 42.059 0.231 0.000 1.284 258 L HN 0.737 nan 8.230 nan 0.000 0.418 259 S N -0.224 115.411 115.700 -0.109 0.000 2.651 259 S HA 0.705 5.175 4.470 -0.000 0.000 0.279 259 S C 0.226 174.866 174.600 0.067 0.000 1.148 259 S CA -0.309 57.838 58.200 -0.088 0.000 0.837 259 S CB 1.670 64.692 63.200 -0.297 0.000 1.138 259 S HN 1.065 nan 8.310 nan 0.000 0.478 260 G N 0.539 109.395 108.800 0.094 0.000 2.142 260 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.255 260 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.255 260 G C -0.389 174.606 174.900 0.159 0.000 0.803 260 G CA 0.523 45.702 45.100 0.131 0.000 1.195 260 G HN 1.279 nan 8.290 nan 0.000 0.366 261 L N 2.477 123.782 121.223 0.137 0.000 2.281 261 L HA 0.746 5.086 4.340 -0.000 0.000 0.285 261 L C -0.421 176.566 176.870 0.195 0.000 1.074 261 L CA -1.791 53.135 54.840 0.143 0.000 0.817 261 L CB 0.739 42.836 42.059 0.065 0.000 1.168 261 L HN 0.327 nan 8.230 nan 0.000 0.434 262 Y N 5.916 126.277 120.300 0.101 0.000 2.331 262 Y HA 0.474 5.024 4.550 -0.000 0.000 0.334 262 Y C -1.888 174.120 175.900 0.180 0.000 0.960 262 Y CA -0.800 57.362 58.100 0.103 0.000 1.130 262 Y CB 1.142 39.650 38.460 0.081 0.000 1.164 262 Y HN 0.649 nan 8.280 nan 0.000 0.458 263 Y N 6.959 126.979 120.300 -0.467 0.000 2.332 263 Y HA 0.349 4.899 4.550 -0.000 0.000 0.326 263 Y C -0.239 175.381 175.900 -0.468 0.000 0.978 263 Y CA -1.500 56.402 58.100 -0.330 0.000 1.205 263 Y CB 0.540 38.935 38.460 -0.108 0.000 1.131 263 Y HN 0.822 nan 8.280 nan 0.000 0.462 264 N N 4.537 122.638 118.700 -0.998 0.000 2.698 264 N HA -0.223 4.517 4.740 -0.000 0.000 0.258 264 N C 1.078 176.263 175.510 -0.541 0.000 0.978 264 N CA 1.869 54.491 53.050 -0.714 0.000 0.777 264 N CB -1.040 37.011 38.487 -0.728 0.000 0.907 264 N HN 1.325 nan 8.380 nan 0.000 0.543 265 G N -1.948 106.346 108.800 -0.844 0.000 2.241 265 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.244 265 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.244 265 G C 0.037 174.806 174.900 -0.219 0.000 0.998 265 G CA 0.269 45.196 45.100 -0.289 0.000 0.621 265 G HN 0.406 nan 8.290 nan 0.000 0.519 266 L N 1.069 122.096 121.223 -0.327 0.000 2.265 266 L HA 0.411 4.751 4.340 -0.000 0.000 0.288 266 L C 0.530 177.314 176.870 -0.142 0.000 1.058 266 L CA -0.382 54.338 54.840 -0.199 0.000 0.809 266 L CB 1.234 43.156 42.059 -0.229 0.000 1.179 266 L HN 0.046 nan 8.230 nan 0.000 0.429 267 K N 3.315 123.685 120.400 -0.049 0.000 2.559 267 K HA 0.138 4.458 4.320 -0.000 0.000 0.236 267 K C 1.143 177.708 176.600 -0.060 0.000 1.185 267 K CA -0.298 56.008 56.287 0.031 0.000 1.157 267 K CB 0.811 33.367 32.500 0.094 0.000 1.782 267 K HN 0.463 nan 8.250 nan 0.000 0.419 268 V N 0.980 120.810 119.914 -0.140 0.000 2.311 268 V HA -0.360 3.760 4.120 -0.000 0.000 0.256 268 V C 2.067 178.079 176.094 -0.136 0.000 1.077 268 V CA 1.840 64.007 62.300 -0.222 0.000 1.067 268 V CB -0.578 31.106 31.823 -0.231 0.000 0.659 268 V HN 0.646 nan 8.190 nan 0.000 0.451 269 L N -0.027 121.160 121.223 -0.060 0.000 2.083 269 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 269 L C 2.512 179.424 176.870 0.070 0.000 1.083 269 L CA 1.524 56.354 54.840 -0.017 0.000 0.752 269 L CB -0.669 41.434 42.059 0.072 0.000 0.899 269 L HN 0.438 nan 8.230 nan 0.000 0.433 270 N N -0.091 118.642 118.700 0.055 0.000 2.106 270 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 270 N C 1.902 177.435 175.510 0.038 0.000 1.029 270 N CA 1.272 54.362 53.050 0.066 0.000 0.848 270 N CB -0.288 38.227 38.487 0.047 0.000 1.007 270 N HN 0.245 nan 8.380 nan 0.000 0.423 271 M N 1.023 120.613 119.600 -0.017 0.000 2.103 271 M HA -0.240 4.240 4.480 -0.000 0.000 0.255 271 M C 2.093 178.389 176.300 -0.007 0.000 1.074 271 M CA 1.984 57.260 55.300 -0.040 0.000 1.090 271 M CB -0.196 32.318 32.600 -0.144 0.000 1.325 271 M HN 0.227 nan 8.290 nan 0.000 0.403 272 A N -0.336 122.472 122.820 -0.020 0.000 1.877 272 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 272 A C 2.285 179.928 177.584 0.098 0.000 1.186 272 A CA 1.909 53.942 52.037 -0.007 0.000 0.620 272 A CB -1.128 17.778 19.000 -0.156 0.000 0.822 272 A HN 0.554 nan 8.150 nan 0.000 0.443 273 A N 0.209 123.135 122.820 0.176 0.000 1.883 273 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 273 A C 1.617 179.255 177.584 0.091 0.000 1.186 273 A CA 1.512 53.661 52.037 0.187 0.000 0.624 273 A CB -0.579 18.521 19.000 0.167 0.000 0.822 273 A HN 0.642 nan 8.150 nan 0.000 0.444 274 E N 0.948 121.186 120.200 0.064 0.000 2.335 274 E HA 0.014 4.364 4.350 -0.000 0.000 0.191 274 E C -0.740 175.882 176.600 0.038 0.000 1.150 274 E CA -0.233 56.192 56.400 0.042 0.000 1.001 274 E CB -0.457 29.262 29.700 0.032 0.000 1.127 274 E HN 0.519 nan 8.360 nan 0.000 0.462 275 N N 3.046 121.773 118.700 0.045 0.000 2.607 275 N HA -0.176 4.564 4.740 -0.000 0.000 0.285 275 N C -0.751 174.779 175.510 0.034 0.000 1.151 275 N CA 0.885 53.957 53.050 0.037 0.000 0.749 275 N CB -0.679 37.825 38.487 0.030 0.000 0.923 275 N HN 0.387 nan 8.380 nan 0.000 0.552 276 D N 0.121 120.545 120.400 0.039 0.000 2.304 276 D HA 0.325 4.965 4.640 -0.000 0.000 0.250 276 D C 1.110 177.438 176.300 0.046 0.000 1.107 276 D CA 0.080 54.110 54.000 0.050 0.000 0.885 276 D CB 1.134 41.976 40.800 0.070 0.000 1.192 276 D HN 0.397 nan 8.370 nan 0.000 0.436 277 A N 4.507 127.351 122.820 0.040 0.000 2.084 277 A HA -0.207 4.113 4.320 -0.000 0.000 0.221 277 A C 1.507 179.090 177.584 -0.001 0.000 1.161 277 A CA 1.266 53.314 52.037 0.019 0.000 0.653 277 A CB -0.140 18.871 19.000 0.017 0.000 0.802 277 A HN 0.652 nan 8.150 nan 0.000 0.457 278 N N -0.884 117.820 118.700 0.007 0.000 2.368 278 N HA 0.176 4.916 4.740 -0.000 0.000 0.178 278 N C 0.282 175.753 175.510 -0.065 0.000 1.076 278 N CA 0.063 53.058 53.050 -0.092 0.000 0.889 278 N CB 0.313 38.641 38.487 -0.265 0.000 1.040 278 N HN 0.409 nan 8.380 nan 0.000 0.463 279 I N 1.789 122.398 120.570 0.065 0.000 2.496 279 I HA 0.181 4.351 4.170 -0.000 0.000 0.285 279 I C -0.009 176.112 176.117 0.006 0.000 1.080 279 I CA -0.333 61.006 61.300 0.065 0.000 1.404 279 I CB 0.893 38.935 38.000 0.069 0.000 1.403 279 I HN -0.032 nan 8.210 nan 0.000 0.539 280 A N 8.363 131.176 122.820 -0.012 0.000 2.332 280 A HA 0.698 5.018 4.320 -0.000 0.000 0.300 280 A C -0.605 176.971 177.584 -0.013 0.000 1.153 280 A CA -0.502 51.527 52.037 -0.013 0.000 0.764 280 A CB 0.617 19.604 19.000 -0.021 0.000 1.174 280 A HN 0.642 nan 8.150 nan 0.000 0.467 281 I N 2.404 122.969 120.570 -0.008 0.000 2.359 281 I HA 0.589 4.759 4.170 -0.000 0.000 0.294 281 I C -0.634 175.486 176.117 0.004 0.000 0.987 281 I CA -0.786 60.508 61.300 -0.009 0.000 1.225 281 I CB 1.710 39.709 38.000 -0.003 0.000 1.366 281 I HN 0.296 nan 8.210 nan 0.000 0.466 282 V N 4.519 124.441 119.914 0.012 0.000 2.891 282 V HA 0.885 5.005 4.120 -0.000 0.000 0.304 282 V C 0.173 176.285 176.094 0.031 0.000 1.171 282 V CA -0.089 62.221 62.300 0.018 0.000 0.943 282 V CB 1.605 33.438 31.823 0.017 0.000 1.037 282 V HN 1.135 nan 8.190 nan 0.000 0.427 283 G N 3.700 112.514 108.800 0.024 0.000 2.352 283 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.324 283 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.324 283 G C -0.271 174.636 174.900 0.013 0.000 1.249 283 G CA -0.114 45.007 45.100 0.035 0.000 1.053 283 G HN 0.645 nan 8.290 nan 0.000 0.492 284 N N 0.656 119.369 118.700 0.023 0.000 2.623 284 N HA 0.307 5.047 4.740 -0.000 0.000 0.263 284 N C 0.383 175.847 175.510 -0.077 0.000 1.218 284 N CA 0.292 53.338 53.050 -0.006 0.000 0.949 284 N CB -0.036 38.464 38.487 0.021 0.000 1.270 284 N HN 0.516 nan 8.380 nan 0.000 0.507 285 V N 0.875 120.704 119.914 -0.141 0.000 2.539 285 V HA 0.486 4.606 4.120 -0.000 0.000 0.292 285 V C 0.375 176.380 176.094 -0.149 0.000 1.045 285 V CA -0.631 61.474 62.300 -0.325 0.000 0.945 285 V CB 1.681 33.243 31.823 -0.436 0.000 0.993 285 V HN 0.153 nan 8.190 nan 0.000 0.464 286 R N 2.587 122.992 120.500 -0.159 0.000 2.725 286 R HA 0.651 4.991 4.340 -0.000 0.000 0.277 286 R C -1.460 174.665 176.300 -0.292 0.000 0.987 286 R CA -0.915 55.102 56.100 -0.138 0.000 0.901 286 R CB 2.059 32.288 30.300 -0.118 0.000 1.207 286 R HN 0.537 nan 8.270 nan 0.000 0.463 287 L N 1.659 122.637 121.223 -0.409 0.000 2.379 287 L HA 0.583 4.923 4.340 -0.000 0.000 0.269 287 L C -0.728 175.911 176.870 -0.385 0.000 1.084 287 L CA -0.220 54.183 54.840 -0.728 0.000 0.802 287 L CB 1.734 43.414 42.059 -0.630 0.000 1.175 287 L HN 0.441 nan 8.230 nan 0.000 0.448 288 V N 0.000 119.703 119.914 -0.352 0.000 2.409 288 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 288 V CA 0.000 62.193 62.300 -0.179 0.000 1.235 288 V CB 0.000 31.754 31.823 -0.115 0.000 1.184 288 V HN 0.000 nan 8.190 nan 0.000 0.556