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_F 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 0.000 175.389 175.328 0.102 0.000 0.993 82 H CA 0.000 55.951 56.048 -0.162 0.000 1.023 82 H CB 0.000 29.610 29.762 -0.253 0.000 1.292 83 A N 2.684 125.695 122.820 0.318 0.000 2.437 83 A HA 0.572 4.892 4.320 0.000 0.000 0.303 83 A C 1.294 178.950 177.584 0.120 0.000 1.324 83 A CA 1.020 53.185 52.037 0.213 0.000 0.983 83 A CB -0.651 18.487 19.000 0.230 0.000 1.142 83 A HN 1.264 nan 8.150 nan 0.000 0.541 84 G N 2.380 111.236 108.800 0.092 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 0.384 175.308 174.900 0.041 0.000 1.225 84 G CA 0.054 45.191 45.100 0.061 0.000 0.966 84 G HN 1.406 nan 8.290 nan 0.000 0.560 85 T N 1.827 116.409 114.554 0.046 0.000 2.750 85 T HA 0.427 4.777 4.350 0.000 0.000 0.277 85 T C 0.402 175.127 174.700 0.042 0.000 0.996 85 T CA 1.406 63.534 62.100 0.047 0.000 1.195 85 T CB 0.038 68.973 68.868 0.112 0.000 0.963 85 T HN 0.804 nan 8.240 nan 0.000 0.516 86 T N 3.684 118.219 114.554 -0.032 0.000 2.841 86 T HA 0.508 4.858 4.350 0.000 0.000 0.283 86 T C -1.043 173.603 174.700 -0.090 0.000 1.000 86 T CA -0.476 61.587 62.100 -0.061 0.000 0.977 86 T CB 0.849 69.647 68.868 -0.117 0.000 0.979 86 T HN 0.431 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 0.606 5.156 4.550 0.000 0.000 0.343 87 Y C -0.011 175.908 175.900 0.032 0.000 0.973 87 Y CA -1.088 56.999 58.100 -0.022 0.000 1.064 87 Y CB 1.360 39.810 38.460 -0.017 0.000 1.207 87 Y HN 0.481 nan 8.280 nan 0.000 0.452 88 I N 4.520 125.094 120.570 0.006 0.000 2.339 88 I HA 0.255 4.426 4.170 0.000 0.000 0.290 88 I C -1.221 174.837 176.117 -0.098 0.000 0.994 88 I CA -0.575 60.750 61.300 0.042 0.000 1.191 88 I CB 0.780 38.779 38.000 -0.001 0.000 1.343 88 I HN 0.410 nan 8.210 nan 0.000 0.458 89 F N 4.606 124.590 119.950 0.058 0.000 2.385 89 F HA 0.344 4.871 4.527 0.000 0.000 0.360 89 F C 0.818 176.587 175.800 -0.052 0.000 1.122 89 F CA -0.162 57.850 58.000 0.021 0.000 1.090 89 F CB 1.189 40.206 39.000 0.029 0.000 1.150 89 F HN 0.361 nan 8.300 nan 0.000 0.472 90 S N 2.087 117.834 115.700 0.078 0.000 2.666 90 S HA 0.414 4.884 4.470 0.000 0.000 0.279 90 S C -0.095 174.530 174.600 0.041 0.000 1.149 90 S CA -1.190 57.031 58.200 0.035 0.000 1.020 90 S CB 0.743 63.949 63.200 0.009 0.000 1.127 90 S HN 0.427 nan 8.310 nan 0.000 0.537 91 K N 0.372 120.784 120.400 0.020 0.000 2.414 91 K HA 0.354 4.674 4.320 0.000 0.000 0.272 91 K C 1.093 177.712 176.600 0.031 0.000 0.993 91 K CA 0.858 57.157 56.287 0.020 0.000 0.964 91 K CB 0.028 32.534 32.500 0.010 0.000 0.925 91 K HN 0.941 nan 8.250 nan 0.000 0.487 92 G N 1.185 110.006 108.800 0.035 0.000 2.194 92 G HA2 -0.198 3.762 3.960 0.000 0.000 0.236 92 G HA3 -0.198 3.762 3.960 0.000 0.000 0.236 92 G C 0.512 175.451 174.900 0.065 0.000 0.987 92 G CA 0.088 45.212 45.100 0.040 0.000 0.635 92 G HN 1.202 nan 8.290 nan 0.000 0.520 93 G N -0.999 107.856 108.800 0.092 0.000 2.960 93 G HA2 0.452 4.412 3.960 0.000 0.000 0.267 93 G HA3 0.452 4.412 3.960 0.000 0.000 0.267 93 G C 0.810 175.831 174.900 0.201 0.000 1.492 93 G CA 0.789 45.987 45.100 0.162 0.000 0.953 93 G HN 2.275 nan 8.290 nan 0.000 0.555 94 G N -1.656 107.352 108.800 0.346 0.000 2.749 94 G HA2 0.842 4.802 3.960 0.000 0.000 0.300 94 G HA3 0.842 4.802 3.960 0.000 0.000 0.300 94 G C -0.897 174.214 174.900 0.352 0.000 1.352 94 G CA 0.643 45.923 45.100 0.300 0.000 0.789 94 G HN 1.324 nan 8.290 nan 0.000 0.509 95 Q N -0.400 119.564 119.800 0.273 0.000 2.443 95 Q HA 0.362 4.702 4.340 0.000 0.000 0.241 95 Q C -1.840 174.230 176.000 0.115 0.000 0.880 95 Q CA -0.472 55.457 55.803 0.209 0.000 0.974 95 Q CB 1.540 30.342 28.738 0.107 0.000 1.482 95 Q HN 0.529 nan 8.270 nan 0.000 0.448 96 I N 3.281 123.913 120.570 0.104 0.000 2.321 96 I HA 0.426 4.596 4.170 0.000 0.000 0.291 96 I C -0.480 175.628 176.117 -0.014 0.000 0.998 96 I CA -0.402 60.893 61.300 -0.008 0.000 1.227 96 I CB 1.913 39.851 38.000 -0.104 0.000 1.368 96 I HN 0.518 nan 8.210 nan 0.000 0.466 97 T N 5.366 119.909 114.554 -0.018 0.000 2.809 97 T HA 0.284 4.634 4.350 0.000 0.000 0.284 97 T C -0.943 173.749 174.700 -0.013 0.000 0.992 97 T CA -0.467 61.621 62.100 -0.020 0.000 0.957 97 T CB 0.926 69.780 68.868 -0.023 0.000 0.942 97 T HN 0.266 nan 8.240 nan 0.000 0.439 98 Y N 2.978 123.163 120.300 -0.191 0.000 2.326 98 Y HA 0.521 5.071 4.550 0.000 0.000 0.337 98 Y C 0.039 175.779 175.900 -0.267 0.000 1.023 98 Y CA -1.001 56.937 58.100 -0.271 0.000 1.143 98 Y CB 0.851 39.062 38.460 -0.415 0.000 1.183 98 Y HN 0.460 nan 8.280 nan 0.000 0.485 99 K N 7.304 127.279 120.400 -0.708 0.000 2.464 99 K HA 0.167 4.487 4.320 0.000 0.000 0.252 99 K C -0.987 175.244 176.600 -0.617 0.000 1.000 99 K CA -0.558 55.448 56.287 -0.469 0.000 0.951 99 K CB 0.511 32.872 32.500 -0.231 0.000 1.183 99 K HN 0.657 nan 8.250 nan 0.000 0.445 100 W N 5.349 126.345 121.300 -0.507 0.000 2.257 100 W HA 0.016 4.676 4.660 0.000 0.000 0.337 100 W C -1.910 174.483 176.519 -0.211 0.000 1.321 100 W CA -1.473 55.666 57.345 -0.343 0.000 1.267 100 W CB 0.349 29.739 29.460 -0.117 0.000 1.187 100 W HN 0.413 nan 8.180 nan 0.000 0.565 101 P HA 0.006 nan 4.420 nan 0.000 0.266 101 P C -1.950 175.384 177.300 0.056 0.000 1.215 101 P CA -0.586 62.541 63.100 0.045 0.000 0.763 101 P CB 0.642 32.370 31.700 0.047 0.000 0.806 102 P HA -0.303 nan 4.420 nan 0.000 0.220 102 P C 0.897 178.195 177.300 -0.004 0.000 0.885 102 P CA 1.853 64.958 63.100 0.010 0.000 1.045 102 P CB -0.503 31.199 31.700 0.003 0.000 0.724 103 N N -0.329 118.370 118.700 -0.002 0.000 2.586 103 N HA -0.078 4.662 4.740 0.000 0.000 0.206 103 N C -0.017 175.482 175.510 -0.019 0.000 1.377 103 N CA 0.837 53.879 53.050 -0.013 0.000 0.871 103 N CB -0.421 38.063 38.487 -0.005 0.000 1.107 103 N HN 0.328 nan 8.380 nan 0.000 0.462 104 D N -0.244 120.142 120.400 -0.024 0.000 2.530 104 D HA 0.078 4.718 4.640 0.000 0.000 0.253 104 D C -0.092 176.088 176.300 -0.200 0.000 1.338 104 D CA -0.207 53.767 54.000 -0.044 0.000 0.806 104 D CB 0.628 41.469 40.800 0.069 0.000 1.160 104 D HN 0.096 nan 8.370 nan 0.000 0.514 105 R N 2.580 122.946 120.500 -0.223 0.000 2.399 105 R HA 0.175 4.515 4.340 0.000 0.000 0.324 105 R C -2.124 173.888 176.300 -0.480 0.000 1.030 105 R CA -0.704 55.132 56.100 -0.441 0.000 0.984 105 R CB 0.300 30.459 30.300 -0.236 0.000 0.961 105 R HN 0.084 nan 8.270 nan 0.000 0.433 106 P HA 0.109 nan 4.420 nan 0.000 0.276 106 P C -0.681 176.371 177.300 -0.413 0.000 1.252 106 P CA -0.377 62.435 63.100 -0.481 0.000 0.802 106 P CB 1.327 32.722 31.700 -0.509 0.000 1.035 107 S N -0.462 115.084 115.700 -0.257 0.000 2.566 107 S HA 0.738 5.208 4.470 0.000 0.000 0.298 107 S C -0.389 174.136 174.600 -0.125 0.000 1.083 107 S CA -0.359 57.737 58.200 -0.173 0.000 0.978 107 S CB 1.562 64.704 63.200 -0.097 0.000 1.073 107 S HN 0.746 nan 8.310 nan 0.000 0.491 108 T N -1.158 113.369 114.554 -0.045 0.000 2.923 108 T HA 0.498 4.848 4.350 0.000 0.000 0.311 108 T C 0.155 174.873 174.700 0.030 0.000 1.183 108 T CA -0.894 61.194 62.100 -0.021 0.000 1.020 108 T CB 1.837 70.685 68.868 -0.033 0.000 1.165 108 T HN 0.549 nan 8.240 nan 0.000 0.482 109 R N 0.974 121.471 120.500 -0.005 0.000 2.175 109 R HA 0.594 4.934 4.340 0.000 0.000 0.202 109 R C 0.587 176.867 176.300 -0.032 0.000 1.018 109 R CA 0.498 56.593 56.100 -0.009 0.000 1.029 109 R CB 0.042 30.329 30.300 -0.023 0.000 0.959 109 R HN 0.852 nan 8.270 nan 0.000 0.480 110 A N 0.452 123.245 122.820 -0.045 0.000 2.380 110 A HA 0.577 4.897 4.320 0.000 0.000 0.315 110 A C -1.670 175.872 177.584 -0.069 0.000 1.101 110 A CA -0.834 51.157 52.037 -0.076 0.000 0.771 110 A CB 1.507 20.459 19.000 -0.080 0.000 1.287 110 A HN 0.263 nan 8.150 nan 0.000 0.436 111 D N 0.837 121.182 120.400 -0.092 0.000 2.934 111 D HA 0.408 5.048 4.640 0.000 0.000 0.230 111 D C -1.056 175.209 176.300 -0.059 0.000 1.204 111 D CA -0.468 53.500 54.000 -0.053 0.000 0.873 111 D CB 1.799 42.677 40.800 0.130 0.000 1.645 111 D HN 0.375 nan 8.370 nan 0.000 0.502 112 R N 1.745 122.222 120.500 -0.039 0.000 2.388 112 R HA 0.479 4.819 4.340 0.000 0.000 0.314 112 R C -0.940 175.475 176.300 0.192 0.000 0.959 112 R CA -0.905 55.242 56.100 0.078 0.000 0.851 112 R CB 1.474 31.872 30.300 0.164 0.000 1.168 112 R HN 0.329 nan 8.270 nan 0.000 0.472 113 L N 1.698 123.124 121.223 0.339 0.000 2.385 113 L HA 0.846 5.186 4.340 0.000 0.000 0.273 113 L C -1.273 175.819 176.870 0.370 0.000 0.990 113 L CA -0.488 54.612 54.840 0.432 0.000 0.821 113 L CB 2.052 44.423 42.059 0.520 0.000 1.279 113 L HN 0.747 nan 8.230 nan 0.000 0.412 114 A N 5.623 128.654 122.820 0.351 0.000 2.549 114 A HA 0.870 5.190 4.320 0.000 0.000 0.297 114 A C -1.621 176.119 177.584 0.259 0.000 1.061 114 A CA -0.421 51.788 52.037 0.287 0.000 0.690 114 A CB 1.268 20.420 19.000 0.253 0.000 1.287 114 A HN 0.902 nan 8.150 nan 0.000 0.402 115 I N 0.404 121.124 120.570 0.249 0.000 2.908 115 I HA 0.662 4.832 4.170 0.000 0.000 0.300 115 I C -0.311 176.017 176.117 0.352 0.000 1.385 115 I CA -0.542 60.906 61.300 0.247 0.000 1.004 115 I CB 2.260 40.360 38.000 0.166 0.000 1.309 115 I HN 0.951 nan 8.210 nan 0.000 0.449 116 G N 4.894 113.908 108.800 0.356 0.000 2.417 116 G HA2 0.648 4.608 3.960 0.000 0.000 0.320 116 G HA3 0.648 4.608 3.960 0.000 0.000 0.320 116 G C -1.243 173.910 174.900 0.422 0.000 1.204 116 G CA -0.445 44.947 45.100 0.486 0.000 0.923 116 G HN 0.579 nan 8.290 nan 0.000 0.466 117 F N 0.508 120.668 119.950 0.350 0.000 2.782 117 F HA 0.882 5.410 4.527 0.000 0.000 0.366 117 F C -0.097 175.947 175.800 0.408 0.000 1.171 117 F CA -1.261 56.935 58.000 0.327 0.000 1.064 117 F CB 2.036 41.174 39.000 0.230 0.000 1.449 117 F HN 0.621 nan 8.300 nan 0.000 0.520 118 S N -0.054 115.993 115.700 0.579 0.000 2.561 118 S HA 0.535 5.005 4.470 0.000 0.000 0.292 118 S C -1.131 173.734 174.600 0.442 0.000 1.107 118 S CA -0.298 58.110 58.200 0.347 0.000 0.969 118 S CB 0.672 63.951 63.200 0.132 0.000 1.150 118 S HN 1.204 nan 8.310 nan 0.000 0.451 119 T N 0.632 115.443 114.554 0.428 0.000 2.830 119 T HA 0.554 4.904 4.350 0.000 0.000 0.322 119 T C -0.816 174.013 174.700 0.215 0.000 1.501 119 T CA -0.042 62.225 62.100 0.278 0.000 1.036 119 T CB 1.547 70.630 68.868 0.359 0.000 1.379 119 T HN 1.784 nan 8.240 nan 0.000 0.493 120 V N 1.258 121.239 119.914 0.111 0.000 2.843 120 V HA 0.563 4.683 4.120 0.000 0.000 0.366 120 V C 0.059 176.191 176.094 0.064 0.000 1.283 120 V CA -0.410 61.943 62.300 0.088 0.000 1.303 120 V CB -0.272 31.585 31.823 0.056 0.000 1.418 120 V HN 0.721 nan 8.190 nan 0.000 0.598 121 Q N 0.270 120.120 119.800 0.085 0.000 2.248 121 Q HA 0.561 4.901 4.340 0.000 0.000 0.263 121 Q C 0.445 176.478 176.000 0.056 0.000 1.007 121 Q CA -0.796 55.044 55.803 0.061 0.000 0.877 121 Q CB 2.291 31.072 28.738 0.073 0.000 1.315 121 Q HN 0.096 nan 8.270 nan 0.000 0.454 122 K N 0.370 120.786 120.400 0.027 0.000 2.244 122 K HA 0.140 4.460 4.320 0.000 0.000 0.200 122 K C -0.259 176.340 176.600 -0.002 0.000 1.052 122 K CA 0.925 57.212 56.287 -0.001 0.000 0.980 122 K CB 0.767 33.253 32.500 -0.024 0.000 0.838 122 K HN 0.498 nan 8.250 nan 0.000 0.481 123 E N -0.108 120.103 120.200 0.019 0.000 2.272 123 E HA 0.642 4.992 4.350 0.000 0.000 0.269 123 E C -1.247 175.384 176.600 0.051 0.000 0.877 123 E CA -0.794 55.625 56.400 0.032 0.000 0.755 123 E CB 2.256 31.973 29.700 0.028 0.000 1.192 123 E HN 0.118 nan 8.360 nan 0.000 0.422 124 A N 1.211 124.064 122.820 0.054 0.000 2.592 124 A HA 0.388 4.708 4.320 0.000 0.000 0.300 124 A C -1.600 176.001 177.584 0.029 0.000 0.994 124 A CA -0.630 51.452 52.037 0.075 0.000 0.707 124 A CB 0.834 19.948 19.000 0.191 0.000 1.273 124 A HN 0.228 nan 8.150 nan 0.000 0.413 125 V N 3.750 123.661 119.914 -0.005 0.000 2.370 125 V HA 0.352 4.472 4.120 0.000 0.000 0.283 125 V C 1.007 176.972 176.094 -0.216 0.000 1.023 125 V CA -0.199 62.066 62.300 -0.059 0.000 0.857 125 V CB 1.092 32.897 31.823 -0.030 0.000 0.985 125 V HN 0.833 nan 8.190 nan 0.000 0.443 126 L N 4.917 125.924 121.223 -0.359 0.000 2.121 126 L HA 0.265 4.605 4.340 0.000 0.000 0.200 126 L C 0.279 176.914 176.870 -0.392 0.000 1.077 126 L CA 0.878 55.364 54.840 -0.590 0.000 0.766 126 L CB -0.153 41.488 42.059 -0.696 0.000 0.931 126 L HN 0.380 nan 8.230 nan 0.000 0.452 127 V N -0.322 119.424 119.914 -0.281 0.000 2.876 127 V HA 0.514 4.634 4.120 0.000 0.000 0.312 127 V C -0.699 175.301 176.094 -0.157 0.000 1.085 127 V CA -0.676 61.502 62.300 -0.205 0.000 0.945 127 V CB 2.589 34.299 31.823 -0.188 0.000 1.017 127 V HN 0.251 nan 8.190 nan 0.000 0.428 128 R N 2.473 122.902 120.500 -0.118 0.000 2.508 128 R HA 0.658 4.998 4.340 0.000 0.000 0.283 128 R C -2.141 174.150 176.300 -0.014 0.000 1.120 128 R CA -0.330 55.738 56.100 -0.053 0.000 0.958 128 R CB 2.099 32.378 30.300 -0.034 0.000 1.215 128 R HN 0.555 nan 8.270 nan 0.000 0.427 129 V N 3.395 123.341 119.914 0.053 0.000 2.435 129 V HA 0.479 4.599 4.120 0.000 0.000 0.290 129 V C -0.323 175.985 176.094 0.358 0.000 1.030 129 V CA -0.702 61.683 62.300 0.141 0.000 0.881 129 V CB 1.697 33.562 31.823 0.070 0.000 0.983 129 V HN 0.695 nan 8.190 nan 0.000 0.445 130 D N 2.370 122.940 120.400 0.282 0.000 2.481 130 D HA 0.402 5.042 4.640 0.000 0.000 0.244 130 D C -0.406 176.036 176.300 0.236 0.000 1.057 130 D CA -0.314 53.866 54.000 0.300 0.000 0.848 130 D CB 2.336 43.238 40.800 0.170 0.000 1.388 130 D HN 0.622 nan 8.370 nan 0.000 0.475 131 S N 0.179 116.054 115.700 0.292 0.000 2.489 131 S HA 0.274 4.744 4.470 0.000 0.000 0.277 131 S C 0.506 175.172 174.600 0.109 0.000 1.230 131 S CA -0.900 57.398 58.200 0.164 0.000 1.053 131 S CB 0.749 64.103 63.200 0.256 0.000 0.955 131 S HN 0.443 nan 8.310 nan 0.000 0.488 132 S N 3.313 119.047 115.700 0.056 0.000 3.129 132 S HA -0.015 4.455 4.470 0.000 0.000 0.371 132 S C 0.563 175.193 174.600 0.049 0.000 1.196 132 S CA -0.168 58.058 58.200 0.044 0.000 0.989 132 S CB -1.053 62.157 63.200 0.018 0.000 0.695 132 S HN 1.562 nan 8.310 nan 0.000 0.499 133 S N 3.302 119.028 115.700 0.042 0.000 2.952 133 S HA 0.360 4.830 4.470 0.000 0.000 0.351 133 S C 1.438 176.059 174.600 0.035 0.000 1.211 133 S CA -0.165 58.057 58.200 0.037 0.000 1.002 133 S CB -0.581 62.633 63.200 0.024 0.000 0.702 133 S HN 2.385 nan 8.310 nan 0.000 0.495 134 G N 2.889 111.713 108.800 0.039 0.000 3.141 134 G HA2 -0.198 3.762 3.960 0.000 0.000 0.205 134 G HA3 -0.198 3.762 3.960 0.000 0.000 0.205 134 G C -0.100 174.829 174.900 0.049 0.000 1.924 134 G CA -0.424 44.697 45.100 0.035 0.000 1.573 134 G HN 1.023 nan 8.290 nan 0.000 0.591 135 L N 2.391 123.649 121.223 0.058 0.000 2.559 135 L HA 0.413 4.753 4.340 0.000 0.000 0.282 135 L C 2.042 178.975 176.870 0.105 0.000 1.232 135 L CA 0.449 55.335 54.840 0.076 0.000 0.885 135 L CB 0.161 42.270 42.059 0.084 0.000 1.131 135 L HN 0.533 nan 8.230 nan 0.000 0.498 136 G N 1.420 110.284 108.800 0.106 0.000 2.396 136 G HA2 -0.098 3.862 3.960 0.000 0.000 0.214 136 G HA3 -0.098 3.862 3.960 0.000 0.000 0.214 136 G C 0.357 175.379 174.900 0.203 0.000 1.166 136 G CA -0.188 44.992 45.100 0.133 0.000 0.793 136 G HN 0.767 nan 8.290 nan 0.000 0.533 137 D N 0.229 120.723 120.400 0.157 0.000 2.949 137 D HA 0.109 4.749 4.640 0.000 0.000 0.208 137 D C -0.124 176.302 176.300 0.210 0.000 1.104 137 D CA 1.188 55.236 54.000 0.078 0.000 0.801 137 D CB -0.006 40.905 40.800 0.186 0.000 1.182 137 D HN 0.548 nan 8.370 nan 0.000 0.517 138 Y N -1.393 118.768 120.300 -0.233 0.000 2.687 138 Y HA 0.529 5.079 4.550 0.000 0.000 0.338 138 Y C -2.371 173.380 175.900 -0.247 0.000 1.189 138 Y CA -1.512 56.532 58.100 -0.093 0.000 1.097 138 Y CB 0.642 39.117 38.460 0.024 0.000 1.342 138 Y HN 0.275 nan 8.280 nan 0.000 0.461 139 L N 2.329 123.630 121.223 0.130 0.000 2.410 139 L HA 0.723 5.063 4.340 0.000 0.000 0.270 139 L C -1.339 175.592 176.870 0.101 0.000 0.983 139 L CA -0.373 54.468 54.840 0.002 0.000 0.822 139 L CB 2.151 44.214 42.059 0.007 0.000 1.285 139 L HN 0.880 nan 8.230 nan 0.000 0.409 140 E N 3.784 123.991 120.200 0.012 0.000 2.256 140 E HA 0.486 4.836 4.350 0.000 0.000 0.268 140 E C -1.975 174.425 176.600 -0.334 0.000 0.877 140 E CA -0.864 55.492 56.400 -0.074 0.000 0.757 140 E CB 2.086 31.828 29.700 0.071 0.000 1.183 140 E HN 0.621 nan 8.360 nan 0.000 0.418 141 L N 6.425 127.450 121.223 -0.330 0.000 2.316 141 L HA 0.440 4.780 4.340 0.000 0.000 0.280 141 L C -1.091 175.574 176.870 -0.341 0.000 1.006 141 L CA -0.086 54.509 54.840 -0.408 0.000 0.836 141 L CB 0.635 42.517 42.059 -0.295 0.000 1.221 141 L HN 0.624 nan 8.230 nan 0.000 0.418 142 H N 3.434 122.400 119.070 -0.174 0.000 2.931 142 H HA 0.629 5.185 4.556 0.000 0.000 0.331 142 H C -1.164 174.076 175.328 -0.146 0.000 1.273 142 H CA -1.340 54.608 56.048 -0.165 0.000 1.171 142 H CB 1.783 31.481 29.762 -0.108 0.000 1.898 142 H HN 0.441 nan 8.280 nan 0.000 0.562 143 I N 1.839 122.484 120.570 0.126 0.000 2.411 143 I HA 0.105 4.275 4.170 0.000 0.000 0.284 143 I C -0.975 175.197 176.117 0.092 0.000 1.012 143 I CA -0.413 60.927 61.300 0.067 0.000 1.119 143 I CB 1.142 39.135 38.000 -0.012 0.000 1.261 143 I HN 0.516 nan 8.210 nan 0.000 0.448 144 H N 6.452 125.505 119.070 -0.028 0.000 2.595 144 H HA 0.285 4.841 4.556 0.000 0.000 0.313 144 H C -0.375 174.924 175.328 -0.048 0.000 1.023 144 H CA -0.200 55.794 56.048 -0.091 0.000 1.218 144 H CB 0.769 30.434 29.762 -0.160 0.000 1.403 144 H HN 0.538 nan 8.280 nan 0.000 0.477 145 Q N 3.712 123.312 119.800 -0.334 0.000 2.468 145 Q HA -0.226 4.114 4.340 0.000 0.000 0.289 145 Q C 0.899 176.824 176.000 -0.125 0.000 1.299 145 Q CA 0.875 56.512 55.803 -0.275 0.000 0.838 145 Q CB -1.612 26.890 28.738 -0.395 0.000 1.195 145 Q HN 1.260 nan 8.270 nan 0.000 0.456 146 G N -0.473 108.290 108.800 -0.062 0.000 2.184 146 G HA2 -0.342 3.618 3.960 0.000 0.000 0.264 146 G HA3 -0.342 3.618 3.960 0.000 0.000 0.264 146 G C -0.046 174.838 174.900 -0.026 0.000 0.975 146 G CA 0.747 45.833 45.100 -0.023 0.000 0.642 146 G HN 0.307 nan 8.290 nan 0.000 0.536 147 K N -0.136 120.248 120.400 -0.027 0.000 2.323 147 K HA 0.637 4.957 4.320 0.000 0.000 0.259 147 K C -0.332 176.273 176.600 0.008 0.000 0.947 147 K CA -1.131 55.137 56.287 -0.031 0.000 0.819 147 K CB 2.378 34.856 32.500 -0.038 0.000 1.109 147 K HN 0.110 nan 8.250 nan 0.000 0.429 148 I N 2.053 122.616 120.570 -0.012 0.000 2.588 148 I HA 0.257 4.427 4.170 0.000 0.000 0.283 148 I C 0.295 176.420 176.117 0.015 0.000 1.119 148 I CA 1.066 62.353 61.300 -0.022 0.000 1.419 148 I CB 0.582 38.567 38.000 -0.025 0.000 1.394 148 I HN 0.773 nan 8.210 nan 0.000 0.562 149 G N 5.279 114.084 108.800 0.008 0.000 2.645 149 G HA2 0.672 4.632 3.960 0.000 0.000 0.292 149 G HA3 0.672 4.632 3.960 0.000 0.000 0.292 149 G C -2.011 172.738 174.900 -0.252 0.000 1.415 149 G CA -0.555 44.540 45.100 -0.007 0.000 0.785 149 G HN 0.520 nan 8.290 nan 0.000 0.483 150 V N 0.113 119.895 119.914 -0.219 0.000 2.888 150 V HA 0.701 4.821 4.120 0.000 0.000 0.309 150 V C -0.593 175.373 176.094 -0.213 0.000 1.114 150 V CA -0.883 61.178 62.300 -0.398 0.000 0.940 150 V CB 2.141 33.663 31.823 -0.502 0.000 1.021 150 V HN 0.822 nan 8.190 nan 0.000 0.426 151 K N 4.007 124.274 120.400 -0.222 0.000 2.443 151 K HA 0.755 5.075 4.320 0.000 0.000 0.252 151 K C -1.714 174.858 176.600 -0.047 0.000 0.933 151 K CA -0.402 55.846 56.287 -0.064 0.000 0.792 151 K CB 2.095 34.661 32.500 0.110 0.000 1.185 151 K HN 0.617 nan 8.250 nan 0.000 0.425 152 F N 0.522 120.278 119.950 -0.323 0.000 2.715 152 F HA 0.619 5.146 4.527 0.000 0.000 0.318 152 F C -1.516 173.851 175.800 -0.722 0.000 1.141 152 F CA -1.022 56.583 58.000 -0.658 0.000 0.950 152 F CB 1.536 40.259 39.000 -0.461 0.000 1.374 152 F HN 0.403 nan 8.300 nan 0.000 0.477 153 N N 0.451 118.748 118.700 -0.673 0.000 2.600 153 N HA 0.310 5.050 4.740 0.000 0.000 0.272 153 N C -0.792 174.538 175.510 -0.299 0.000 1.095 153 N CA -0.231 52.535 53.050 -0.473 0.000 0.993 153 N CB 2.376 40.575 38.487 -0.480 0.000 1.603 153 N HN 0.995 nan 8.380 nan 0.000 0.526 154 V N 0.910 120.762 119.914 -0.103 0.000 3.528 154 V HA 0.640 4.760 4.120 0.000 0.000 0.294 154 V C 1.019 177.105 176.094 -0.013 0.000 1.404 154 V CA 1.074 63.332 62.300 -0.069 0.000 1.065 154 V CB 0.360 32.186 31.823 0.005 0.000 0.904 154 V HN 0.809 nan 8.190 nan 0.000 0.435 155 G N -0.405 108.379 108.800 -0.027 0.000 3.465 155 G HA2 -0.094 3.866 3.960 0.000 0.000 0.219 155 G HA3 -0.094 3.866 3.960 0.000 0.000 0.219 155 G C 0.502 175.394 174.900 -0.014 0.000 0.984 155 G CA 0.451 45.548 45.100 -0.005 0.000 0.864 155 G HN 0.396 nan 8.290 nan 0.000 0.485 156 T N 1.385 115.922 114.554 -0.029 0.000 3.074 156 T HA 0.367 4.717 4.350 0.000 0.000 0.181 156 T C 0.424 175.094 174.700 -0.051 0.000 0.714 156 T CA 0.810 62.891 62.100 -0.032 0.000 2.341 156 T CB 0.013 68.863 68.868 -0.030 0.000 2.346 156 T HN 0.267 nan 8.240 nan 0.000 0.391 157 D N 1.214 121.568 120.400 -0.077 0.000 2.564 157 D HA 0.319 4.959 4.640 0.000 0.000 0.273 157 D C -0.875 175.328 176.300 -0.163 0.000 1.192 157 D CA -0.503 53.443 54.000 -0.090 0.000 1.080 157 D CB 0.443 41.195 40.800 -0.080 0.000 1.160 157 D HN 0.241 nan 8.370 nan 0.000 0.607 158 D N 0.474 120.779 120.400 -0.158 0.000 2.264 158 D HA 0.350 4.990 4.640 0.000 0.000 0.250 158 D C -0.098 175.999 176.300 -0.338 0.000 1.113 158 D CA 0.006 53.858 54.000 -0.245 0.000 0.871 158 D CB 1.445 42.183 40.800 -0.103 0.000 1.167 158 D HN 0.174 nan 8.370 nan 0.000 0.447 159 I N 1.551 121.734 120.570 -0.644 0.000 2.404 159 I HA 0.511 4.681 4.170 0.000 0.000 0.293 159 I C 0.037 175.816 176.117 -0.563 0.000 0.992 159 I CA -0.713 60.205 61.300 -0.637 0.000 1.149 159 I CB 1.824 39.291 38.000 -0.887 0.000 1.315 159 I HN 0.272 nan 8.210 nan 0.000 0.446 160 A N 7.175 129.863 122.820 -0.220 0.000 2.413 160 A HA 0.905 5.225 4.320 0.000 0.000 0.307 160 A C -1.189 176.423 177.584 0.046 0.000 1.087 160 A CA -0.585 51.411 52.037 -0.068 0.000 0.750 160 A CB 2.018 21.003 19.000 -0.026 0.000 1.296 160 A HN 0.737 nan 8.150 nan 0.000 0.423 161 I N 0.445 121.082 120.570 0.113 0.000 2.692 161 I HA 0.608 4.778 4.170 0.000 0.000 0.293 161 I C -1.130 175.060 176.117 0.122 0.000 1.200 161 I CA -0.168 61.222 61.300 0.150 0.000 1.036 161 I CB 1.828 39.981 38.000 0.255 0.000 1.258 161 I HN 0.933 nan 8.210 nan 0.000 0.421 162 E N 5.330 125.590 120.200 0.100 0.000 2.372 162 E HA 0.260 4.610 4.350 0.000 0.000 0.279 162 E C -1.691 174.940 176.600 0.051 0.000 0.946 162 E CA -0.684 55.763 56.400 0.079 0.000 0.769 162 E CB 1.926 31.678 29.700 0.087 0.000 1.230 162 E HN 0.516 nan 8.360 nan 0.000 0.442 163 E N 1.968 122.182 120.200 0.022 0.000 1.861 163 E HA 0.134 4.484 4.350 0.000 0.000 0.263 163 E C -0.061 176.494 176.600 -0.075 0.000 1.137 163 E CA 0.130 56.508 56.400 -0.037 0.000 0.944 163 E CB 0.357 30.007 29.700 -0.082 0.000 1.092 163 E HN 0.498 nan 8.360 nan 0.000 0.420 164 S N 3.264 118.936 115.700 -0.047 0.000 2.501 164 S HA 0.018 4.488 4.470 0.000 0.000 0.220 164 S C 1.196 175.749 174.600 -0.079 0.000 0.997 164 S CA -0.041 58.131 58.200 -0.047 0.000 0.919 164 S CB -0.021 63.173 63.200 -0.009 0.000 0.778 164 S HN 0.374 nan 8.310 nan 0.000 0.523 165 N N 2.938 121.574 118.700 -0.107 0.000 2.131 165 N HA 0.185 4.925 4.740 0.000 0.000 0.190 165 N C 1.088 176.473 175.510 -0.209 0.000 1.055 165 N CA 1.052 54.038 53.050 -0.107 0.000 0.853 165 N CB -1.041 37.412 38.487 -0.055 0.000 1.035 165 N HN 0.515 nan 8.380 nan 0.000 0.440 166 A N 1.325 123.854 122.820 -0.486 0.000 2.475 166 A HA 0.282 4.602 4.320 0.000 0.000 0.239 166 A C 0.264 177.584 177.584 -0.440 0.000 1.087 166 A CA 0.102 51.698 52.037 -0.734 0.000 0.779 166 A CB -0.043 17.787 19.000 -1.949 0.000 1.036 166 A HN 0.405 nan 8.150 nan 0.000 0.506 167 I N 0.606 120.970 120.570 -0.344 0.000 2.646 167 I HA 0.506 4.676 4.170 0.000 0.000 0.299 167 I C -0.121 175.838 176.117 -0.264 0.000 1.036 167 I CA -0.795 60.384 61.300 -0.201 0.000 1.074 167 I CB 1.835 39.789 38.000 -0.078 0.000 1.258 167 I HN 0.621 nan 8.210 nan 0.000 0.430 168 I N 2.972 123.433 120.570 -0.182 0.000 4.541 168 I HA 0.267 4.437 4.170 0.000 0.000 0.337 168 I C 0.481 176.682 176.117 0.140 0.000 1.338 168 I CA -0.066 61.080 61.300 -0.256 0.000 1.244 168 I CB -0.526 37.361 38.000 -0.189 0.000 1.417 168 I HN 0.498 nan 8.210 nan 0.000 0.501 169 N N 1.441 120.221 118.700 0.133 0.000 2.389 169 N HA -0.041 4.699 4.740 0.000 0.000 0.237 169 N C 0.135 175.740 175.510 0.158 0.000 1.148 169 N CA 0.345 53.505 53.050 0.183 0.000 0.854 169 N CB -0.448 38.110 38.487 0.118 0.000 1.115 169 N HN 0.541 nan 8.380 nan 0.000 0.492 170 D N -0.924 119.588 120.400 0.187 0.000 2.352 170 D HA 0.145 4.785 4.640 0.000 0.000 0.236 170 D C 1.238 177.624 176.300 0.144 0.000 1.148 170 D CA -0.010 54.084 54.000 0.156 0.000 0.844 170 D CB -0.577 40.327 40.800 0.174 0.000 0.933 170 D HN 0.293 nan 8.370 nan 0.000 0.507 171 G N 0.107 109.000 108.800 0.155 0.000 2.196 171 G HA2 -0.372 3.588 3.960 0.000 0.000 0.268 171 G HA3 -0.372 3.588 3.960 0.000 0.000 0.268 171 G C 0.345 175.291 174.900 0.077 0.000 0.975 171 G CA 0.799 45.966 45.100 0.112 0.000 0.648 171 G HN 0.529 nan 8.290 nan 0.000 0.538 172 K N -0.994 119.454 120.400 0.079 0.000 2.132 172 K HA 0.543 4.863 4.320 0.000 0.000 0.241 172 K C -0.076 176.425 176.600 -0.165 0.000 1.000 172 K CA -1.139 55.119 56.287 -0.048 0.000 0.911 172 K CB 0.929 33.385 32.500 -0.074 0.000 1.093 172 K HN 0.014 nan 8.250 nan 0.000 0.460 173 Y N 2.379 122.428 120.300 -0.419 0.000 2.442 173 Y HA 0.048 4.598 4.550 0.000 0.000 0.330 173 Y C -0.467 175.002 175.900 -0.718 0.000 1.129 173 Y CA 0.095 57.920 58.100 -0.458 0.000 1.365 173 Y CB 0.113 38.361 38.460 -0.355 0.000 1.233 173 Y HN 0.430 nan 8.280 nan 0.000 0.529 174 H N 3.647 122.803 119.070 0.142 0.000 2.974 174 H HA 0.497 5.053 4.556 0.000 0.000 0.366 174 H C -1.352 173.891 175.328 -0.140 0.000 1.155 174 H CA -0.700 55.201 56.048 -0.244 0.000 1.186 174 H CB 1.957 31.354 29.762 -0.608 0.000 1.799 174 H HN 0.393 nan 8.280 nan 0.000 0.541 175 V N 2.810 122.818 119.914 0.156 0.000 2.531 175 V HA 0.281 4.401 4.120 0.000 0.000 0.301 175 V C -0.337 175.941 176.094 0.307 0.000 1.034 175 V CA -0.734 61.721 62.300 0.259 0.000 0.865 175 V CB 2.387 34.301 31.823 0.152 0.000 0.995 175 V HN 0.467 nan 8.190 nan 0.000 0.424 176 V N 7.021 127.160 119.914 0.374 0.000 2.628 176 V HA 0.706 4.826 4.120 0.000 0.000 0.306 176 V C -0.552 175.696 176.094 0.257 0.000 1.045 176 V CA -0.579 61.909 62.300 0.314 0.000 0.905 176 V CB 2.026 34.045 31.823 0.326 0.000 0.997 176 V HN 0.931 nan 8.190 nan 0.000 0.436 177 R N 5.540 126.176 120.500 0.228 0.000 2.513 177 R HA 0.494 4.834 4.340 0.000 0.000 0.301 177 R C -1.579 174.867 176.300 0.243 0.000 0.968 177 R CA -0.399 55.829 56.100 0.214 0.000 0.872 177 R CB 2.261 32.652 30.300 0.151 0.000 1.177 177 R HN 0.669 nan 8.270 nan 0.000 0.444 178 F N 1.117 121.128 119.950 0.101 0.000 2.492 178 F HA 0.557 5.084 4.527 0.000 0.000 0.327 178 F C -0.577 175.255 175.800 0.052 0.000 1.079 178 F CA -0.269 57.773 58.000 0.069 0.000 0.967 178 F CB 2.338 41.372 39.000 0.056 0.000 1.169 178 F HN 0.276 nan 8.300 nan 0.000 0.472 179 T N 5.921 119.804 114.554 -1.119 0.000 2.952 179 T HA 0.464 4.814 4.350 0.000 0.000 0.305 179 T C -1.420 172.605 174.700 -1.126 0.000 1.064 179 T CA -0.649 60.949 62.100 -0.836 0.000 1.008 179 T CB 1.429 70.076 68.868 -0.369 0.000 1.078 179 T HN 0.771 nan 8.240 nan 0.000 0.459 180 R N 1.539 121.611 120.500 -0.714 0.000 2.744 180 R HA 0.712 5.052 4.340 0.000 0.000 0.279 180 R C -1.296 174.831 176.300 -0.288 0.000 0.977 180 R CA -0.582 55.204 56.100 -0.523 0.000 0.906 180 R CB 1.652 31.666 30.300 -0.477 0.000 1.197 180 R HN 0.589 nan 8.270 nan 0.000 0.463 181 S N 2.659 118.224 115.700 -0.225 0.000 2.413 181 S HA 0.440 4.910 4.470 0.000 0.000 0.170 181 S C 0.217 174.749 174.600 -0.113 0.000 1.294 181 S CA 0.378 58.487 58.200 -0.151 0.000 1.201 181 S CB 0.363 63.469 63.200 -0.156 0.000 1.328 181 S HN 1.174 nan 8.310 nan 0.000 0.418 182 G N 3.427 112.180 108.800 -0.079 0.000 2.543 182 G HA2 -0.259 3.701 3.960 0.000 0.000 0.286 182 G HA3 -0.259 3.701 3.960 0.000 0.000 0.286 182 G C 0.950 175.869 174.900 0.031 0.000 1.153 182 G CA 0.228 45.313 45.100 -0.025 0.000 0.968 182 G HN 1.612 nan 8.290 nan 0.000 0.544 183 G N 0.612 109.446 108.800 0.056 0.000 2.441 183 G HA2 0.146 4.106 3.960 0.000 0.000 0.212 183 G HA3 0.146 4.106 3.960 0.000 0.000 0.212 183 G C 0.714 175.711 174.900 0.161 0.000 1.164 183 G CA 0.900 46.096 45.100 0.160 0.000 0.811 183 G HN 0.774 nan 8.290 nan 0.000 0.535 184 N N 1.663 120.344 118.700 -0.032 0.000 2.412 184 N HA 0.396 5.136 4.740 0.000 0.000 0.258 184 N C 0.067 175.515 175.510 -0.103 0.000 1.236 184 N CA 0.663 53.607 53.050 -0.176 0.000 0.882 184 N CB 1.279 39.482 38.487 -0.473 0.000 1.066 184 N HN 0.382 nan 8.380 nan 0.000 0.465 185 A N 1.281 124.092 122.820 -0.016 0.000 2.530 185 A HA 0.819 5.139 4.320 0.000 0.000 0.288 185 A C -0.459 177.106 177.584 -0.032 0.000 1.172 185 A CA -0.531 51.472 52.037 -0.057 0.000 0.733 185 A CB 1.792 20.934 19.000 0.237 0.000 1.320 185 A HN 0.448 nan 8.150 nan 0.000 0.419 186 T N 0.096 114.545 114.554 -0.175 0.000 2.956 186 T HA 0.578 4.928 4.350 0.000 0.000 0.312 186 T C -1.804 172.897 174.700 0.003 0.000 1.151 186 T CA -0.185 61.884 62.100 -0.051 0.000 1.024 186 T CB 1.196 70.015 68.868 -0.081 0.000 1.140 186 T HN 0.916 nan 8.240 nan 0.000 0.473 187 L N 2.736 124.034 121.223 0.126 0.000 2.388 187 L HA 0.777 5.117 4.340 0.000 0.000 0.264 187 L C -1.408 175.554 176.870 0.154 0.000 0.998 187 L CA -0.259 54.695 54.840 0.191 0.000 0.817 187 L CB 2.135 44.334 42.059 0.233 0.000 1.338 187 L HN 0.598 nan 8.230 nan 0.000 0.414 188 Q N 3.035 122.937 119.800 0.169 0.000 2.313 188 Q HA 0.480 4.820 4.340 0.000 0.000 0.255 188 Q C -2.176 173.948 176.000 0.207 0.000 0.944 188 Q CA -0.482 55.426 55.803 0.174 0.000 0.881 188 Q CB 2.317 31.143 28.738 0.146 0.000 1.375 188 Q HN 0.550 nan 8.270 nan 0.000 0.422 189 V N 4.092 124.151 119.914 0.242 0.000 2.483 189 V HA 0.285 4.405 4.120 0.000 0.000 0.295 189 V C 0.684 177.045 176.094 0.445 0.000 1.035 189 V CA -0.213 62.259 62.300 0.286 0.000 0.896 189 V CB 1.523 33.434 31.823 0.147 0.000 0.986 189 V HN 0.965 nan 8.190 nan 0.000 0.447 190 D N 3.239 123.861 120.400 0.370 0.000 4.187 190 D HA -0.285 4.355 4.640 0.000 0.000 0.202 190 D C 1.271 177.690 176.300 0.198 0.000 0.687 190 D CA 2.345 56.528 54.000 0.306 0.000 1.000 190 D CB -0.698 40.397 40.800 0.490 0.000 0.446 190 D HN 0.678 nan 8.370 nan 0.000 0.398 191 S N -0.921 114.857 115.700 0.130 0.000 2.666 191 S HA 0.090 4.560 4.470 0.000 0.000 0.239 191 S C 0.351 174.938 174.600 -0.022 0.000 1.031 191 S CA -0.642 57.548 58.200 -0.017 0.000 1.015 191 S CB 0.759 63.866 63.200 -0.156 0.000 0.981 191 S HN 0.264 nan 8.310 nan 0.000 0.547 192 W N 4.237 125.560 121.300 0.039 0.000 2.186 192 W HA 0.082 4.742 4.660 0.000 0.000 0.355 192 W C -2.193 174.347 176.519 0.035 0.000 1.293 192 W CA -0.833 56.534 57.345 0.037 0.000 1.316 192 W CB -0.326 29.161 29.460 0.045 0.000 1.212 192 W HN 0.050 nan 8.180 nan 0.000 0.610 193 P HA -0.002 nan 4.420 nan 0.000 0.268 193 P C -0.427 176.969 177.300 0.159 0.000 1.208 193 P CA 0.092 63.281 63.100 0.149 0.000 0.777 193 P CB 0.684 32.459 31.700 0.125 0.000 0.875 194 V N 3.980 123.962 119.914 0.113 0.000 2.555 194 V HA 0.070 4.190 4.120 0.000 0.000 0.286 194 V C 0.976 177.130 176.094 0.101 0.000 1.044 194 V CA 0.003 62.368 62.300 0.107 0.000 1.026 194 V CB 0.011 31.883 31.823 0.081 0.000 0.981 194 V HN 0.334 nan 8.190 nan 0.000 0.480 195 I N 5.048 125.684 120.570 0.111 0.000 2.396 195 I HA 0.407 4.577 4.170 0.000 0.000 0.292 195 I C 0.163 176.353 176.117 0.122 0.000 0.999 195 I CA -0.263 61.100 61.300 0.106 0.000 1.310 195 I CB 1.040 39.107 38.000 0.111 0.000 1.404 195 I HN 0.629 nan 8.210 nan 0.000 0.496 196 E N 5.244 125.517 120.200 0.122 0.000 2.218 196 E HA 0.467 4.817 4.350 0.000 0.000 0.263 196 E C -0.968 175.777 176.600 0.241 0.000 0.879 196 E CA -1.002 55.525 56.400 0.211 0.000 0.762 196 E CB 2.571 32.397 29.700 0.210 0.000 1.166 196 E HN 0.279 nan 8.360 nan 0.000 0.415 197 R N 2.347 123.049 120.500 0.336 0.000 2.445 197 R HA 0.311 4.651 4.340 0.000 0.000 0.308 197 R C -1.681 174.918 176.300 0.499 0.000 0.961 197 R CA -0.504 55.783 56.100 0.313 0.000 0.862 197 R CB 0.478 30.913 30.300 0.226 0.000 1.144 197 R HN 0.458 nan 8.270 nan 0.000 0.447 198 Y N 5.753 126.081 120.300 0.047 0.000 2.658 198 Y HA 0.325 4.875 4.550 0.000 0.000 0.362 198 Y C -1.822 174.096 175.900 0.030 0.000 1.017 198 Y CA -2.977 55.147 58.100 0.040 0.000 1.134 198 Y CB 0.151 38.627 38.460 0.027 0.000 1.144 198 Y HN 0.599 nan 8.280 nan 0.000 0.655 199 P HA -0.161 nan 4.420 nan 0.000 0.271 199 P C 0.532 177.868 177.300 0.061 0.000 1.179 199 P CA 0.434 63.575 63.100 0.069 0.000 0.766 199 P CB 0.939 32.657 31.700 0.031 0.000 0.789 232 R N 1.023 121.526 120.500 0.006 0.000 2.390 232 R HA 0.498 4.838 4.340 0.000 0.000 0.291 232 R C -0.839 175.462 176.300 0.003 0.000 1.070 232 R CA -0.115 55.988 56.100 0.005 0.000 1.014 232 R CB 0.653 30.955 30.300 0.003 0.000 1.007 232 R HN 0.372 nan 8.270 nan 0.000 0.466 233 Q N 3.350 123.153 119.800 0.004 0.000 2.377 233 Q HA 0.342 4.683 4.340 0.000 0.000 0.271 233 Q C -0.394 175.611 176.000 0.009 0.000 1.077 233 Q CA -0.809 54.998 55.803 0.006 0.000 0.820 233 Q CB 2.394 31.140 28.738 0.013 0.000 1.347 233 Q HN 0.571 nan 8.270 nan 0.000 0.444 234 L N 0.249 121.479 121.223 0.011 0.000 2.456 234 L HA 0.338 4.678 4.340 0.000 0.000 0.257 234 L C 1.048 177.932 176.870 0.025 0.000 1.162 234 L CA 0.142 54.992 54.840 0.015 0.000 0.808 234 L CB 0.816 42.883 42.059 0.014 0.000 1.136 234 L HN 0.691 nan 8.230 nan 0.000 0.466 235 T N 0.424 114.991 114.554 0.022 0.000 3.019 235 T HA 0.349 4.699 4.350 0.000 0.000 0.247 235 T C 0.536 175.257 174.700 0.034 0.000 0.992 235 T CA 0.061 62.174 62.100 0.021 0.000 1.036 235 T CB 0.302 69.174 68.868 0.006 0.000 1.063 235 T HN 0.207 nan 8.240 nan 0.000 0.476 236 I N 2.240 122.838 120.570 0.046 0.000 2.353 236 I HA 0.306 4.476 4.170 0.000 0.000 0.293 236 I C -0.761 175.449 176.117 0.156 0.000 0.992 236 I CA -0.821 60.525 61.300 0.078 0.000 1.268 236 I CB 1.088 39.117 38.000 0.048 0.000 1.387 236 I HN 0.105 nan 8.210 nan 0.000 0.478 237 F N 6.974 126.916 119.950 -0.012 0.000 2.462 237 F HA 0.304 4.831 4.527 0.000 0.000 0.354 237 F C 0.116 175.903 175.800 -0.021 0.000 1.192 237 F CA -1.349 56.651 58.000 -0.001 0.000 1.173 237 F CB -0.785 38.221 39.000 0.009 0.000 1.402 237 F HN 0.427 nan 8.300 nan 0.000 0.595 238 N N 2.256 121.114 118.700 0.262 0.000 2.508 238 N HA 0.057 4.797 4.740 0.000 0.000 0.264 238 N C 0.222 175.708 175.510 -0.040 0.000 1.216 238 N CA 0.064 53.153 53.050 0.065 0.000 0.943 238 N CB 0.551 39.079 38.487 0.067 0.000 1.113 238 N HN 0.483 nan 8.380 nan 0.000 0.447 239 S N 0.329 115.955 115.700 -0.123 0.000 3.315 239 S HA -0.265 4.205 4.470 0.000 0.000 0.294 239 S C -0.454 174.005 174.600 -0.236 0.000 0.856 239 S CA 0.206 58.301 58.200 -0.174 0.000 1.370 239 S CB -1.067 62.083 63.200 -0.083 0.000 1.080 239 S HN 0.481 nan 8.310 nan 0.000 0.483 240 Q N 2.002 121.519 119.800 -0.471 0.000 2.296 240 Q HA 0.506 4.846 4.340 0.000 0.000 0.262 240 Q C 1.011 176.858 176.000 -0.255 0.000 0.981 240 Q CA 0.433 55.921 55.803 -0.525 0.000 0.905 240 Q CB 1.050 29.249 28.738 -0.898 0.000 1.186 240 Q HN 0.723 nan 8.270 nan 0.000 0.399 241 A N 2.373 125.244 122.820 0.085 0.000 2.211 241 A HA 0.166 4.486 4.320 0.000 0.000 0.208 241 A C 0.328 178.137 177.584 0.375 0.000 1.250 241 A CA 0.589 52.774 52.037 0.248 0.000 0.935 241 A CB 0.787 19.848 19.000 0.101 0.000 0.982 241 A HN 0.679 nan 8.150 nan 0.000 0.490 242 T N -1.803 112.944 114.554 0.320 0.000 3.041 242 T HA 0.660 5.010 4.350 0.000 0.000 0.321 242 T C -1.033 173.725 174.700 0.097 0.000 1.184 242 T CA -0.355 61.830 62.100 0.142 0.000 1.050 242 T CB 1.036 69.936 68.868 0.052 0.000 1.159 242 T HN 0.134 nan 8.240 nan 0.000 0.469 243 I N 3.389 123.940 120.570 -0.030 0.000 2.330 243 I HA 0.455 4.625 4.170 0.000 0.000 0.289 243 I C -0.446 175.631 176.117 -0.066 0.000 1.001 243 I CA -1.004 60.243 61.300 -0.088 0.000 1.193 243 I CB 1.319 39.203 38.000 -0.193 0.000 1.345 243 I HN 0.576 nan 8.210 nan 0.000 0.461 244 I N 7.686 128.219 120.570 -0.061 0.000 2.382 244 I HA 0.398 4.568 4.170 0.000 0.000 0.285 244 I C -0.351 175.722 176.117 -0.074 0.000 1.007 244 I CA -0.451 60.820 61.300 -0.049 0.000 1.142 244 I CB 1.390 39.373 38.000 -0.029 0.000 1.289 244 I HN 0.396 nan 8.210 nan 0.000 0.453 245 I N 5.604 126.138 120.570 -0.060 0.000 2.321 245 I HA 0.543 4.713 4.170 0.000 0.000 0.291 245 I C 0.983 177.071 176.117 -0.048 0.000 0.998 245 I CA 0.016 61.262 61.300 -0.090 0.000 1.227 245 I CB 1.446 39.415 38.000 -0.051 0.000 1.368 245 I HN 0.878 nan 8.210 nan 0.000 0.466 246 G N 3.474 112.148 108.800 -0.209 0.000 2.738 246 G HA2 -0.118 3.842 3.960 0.000 0.000 0.195 246 G HA3 -0.118 3.842 3.960 0.000 0.000 0.195 246 G C 0.929 175.774 174.900 -0.091 0.000 1.001 246 G CA -0.222 44.770 45.100 -0.181 0.000 0.759 246 G HN 1.160 nan 8.290 nan 0.000 0.494 247 G N 0.742 109.483 108.800 -0.099 0.000 2.416 247 G HA2 -0.344 3.616 3.960 0.000 0.000 0.301 247 G HA3 -0.344 3.616 3.960 0.000 0.000 0.301 247 G C 0.895 175.789 174.900 -0.010 0.000 0.985 247 G CA 2.025 47.088 45.100 -0.061 0.000 0.934 247 G HN 0.925 nan 8.290 nan 0.000 0.513 248 K N -0.600 119.807 120.400 0.011 0.000 2.121 248 K HA 0.113 4.433 4.320 0.000 0.000 0.203 248 K C 2.141 178.748 176.600 0.010 0.000 1.041 248 K CA 0.745 57.049 56.287 0.029 0.000 0.969 248 K CB -0.031 32.504 32.500 0.058 0.000 0.799 248 K HN 0.369 nan 8.250 nan 0.000 0.456 249 E N 0.496 120.698 120.200 0.004 0.000 2.130 249 E HA -0.244 4.106 4.350 0.000 0.000 0.196 249 E C 1.387 177.975 176.600 -0.021 0.000 0.998 249 E CA 1.445 57.841 56.400 -0.007 0.000 0.806 249 E CB 0.179 29.874 29.700 -0.009 0.000 0.738 249 E HN 0.260 nan 8.360 nan 0.000 0.459 250 Q N -0.848 118.934 119.800 -0.030 0.000 2.482 250 Q HA 0.133 4.473 4.340 0.000 0.000 0.209 250 Q C 0.682 176.659 176.000 -0.037 0.000 0.961 250 Q CA 0.727 56.502 55.803 -0.046 0.000 0.945 250 Q CB 0.586 29.290 28.738 -0.057 0.000 1.012 250 Q HN 0.386 nan 8.270 nan 0.000 0.515 251 G N 0.964 109.751 108.800 -0.021 0.000 2.289 251 G HA2 -0.300 3.660 3.960 0.000 0.000 0.280 251 G HA3 -0.300 3.660 3.960 0.000 0.000 0.280 251 G C -0.268 174.626 174.900 -0.010 0.000 1.089 251 G CA 0.053 45.145 45.100 -0.014 0.000 0.939 251 G HN 0.377 nan 8.290 nan 0.000 0.499 252 Q N -1.204 118.596 119.800 0.000 0.000 3.693 252 Q HA 0.144 4.484 4.340 0.000 0.000 0.226 252 Q C -2.820 173.200 176.000 0.034 0.000 0.757 252 Q CA -1.487 54.323 55.803 0.011 0.000 0.891 252 Q CB 1.859 30.596 28.738 -0.001 0.000 1.561 252 Q HN 0.332 nan 8.270 nan 0.000 0.390 253 P HA -0.133 nan 4.420 nan 0.000 0.266 253 P C -0.869 176.495 177.300 0.107 0.000 1.180 253 P CA 0.467 63.608 63.100 0.069 0.000 0.765 253 P CB 0.281 32.017 31.700 0.060 0.000 0.806 254 F N 3.055 122.952 119.950 -0.088 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 -0.038 0.000 1.082 254 F CA -0.326 57.593 58.000 -0.134 0.000 0.995 254 F CB 1.460 40.260 39.000 -0.333 0.000 1.170 254 F HN 0.255 nan 8.300 nan 0.000 0.478 255 Q N 4.439 123.724 119.800 -0.858 0.000 2.295 255 Q HA 0.620 4.960 4.340 0.000 0.000 0.259 255 Q C -0.437 175.053 176.000 -0.851 0.000 0.966 255 Q CA -0.665 54.793 55.803 -0.575 0.000 0.763 255 Q CB 1.955 30.562 28.738 -0.219 0.000 1.283 255 Q HN 1.086 nan 8.270 nan 0.000 0.445 256 G N 1.770 110.201 108.800 -0.616 0.000 2.491 256 G HA2 0.081 4.041 3.960 0.000 0.000 0.183 256 G HA3 0.081 4.041 3.960 0.000 0.000 0.183 256 G C -1.726 173.264 174.900 0.149 0.000 1.221 256 G CA -0.673 44.266 45.100 -0.269 0.000 0.996 256 G HN 0.361 nan 8.290 nan 0.000 0.474 257 Q N -0.299 119.728 119.800 0.377 0.000 2.347 257 Q HA 0.711 5.051 4.340 0.000 0.000 0.271 257 Q C -1.139 175.118 176.000 0.428 0.000 1.064 257 Q CA -0.539 55.527 55.803 0.439 0.000 0.800 257 Q CB 2.860 31.836 28.738 0.397 0.000 1.304 257 Q HN 0.463 nan 8.270 nan 0.000 0.438 258 L N 1.419 122.829 121.223 0.311 0.000 2.362 258 L HA 0.740 5.080 4.340 0.000 0.000 0.271 258 L C -0.375 176.467 176.870 -0.046 0.000 1.002 258 L CA -0.633 54.305 54.840 0.164 0.000 0.818 258 L CB 2.026 44.225 42.059 0.232 0.000 1.298 258 L HN 0.738 nan 8.230 nan 0.000 0.420 259 S N -0.249 115.381 115.700 -0.117 0.000 2.651 259 S HA 0.701 5.171 4.470 0.000 0.000 0.279 259 S C 0.212 174.849 174.600 0.062 0.000 1.148 259 S CA -0.310 57.831 58.200 -0.098 0.000 0.837 259 S CB 1.650 64.662 63.200 -0.313 0.000 1.138 259 S HN 1.066 nan 8.310 nan 0.000 0.478 260 G N 0.545 109.399 108.800 0.090 0.000 2.142 260 G HA2 -0.136 3.824 3.960 0.000 0.000 0.255 260 G HA3 -0.136 3.824 3.960 0.000 0.000 0.255 260 G C -0.393 174.601 174.900 0.158 0.000 0.803 260 G CA 0.534 45.712 45.100 0.129 0.000 1.195 260 G HN 1.283 nan 8.290 nan 0.000 0.366 261 L N 2.550 123.855 121.223 0.136 0.000 2.265 261 L HA 0.754 5.094 4.340 0.000 0.000 0.288 261 L C -0.440 176.548 176.870 0.196 0.000 1.058 261 L CA -1.815 53.110 54.840 0.143 0.000 0.809 261 L CB 0.779 42.876 42.059 0.064 0.000 1.179 261 L HN 0.331 nan 8.230 nan 0.000 0.429 262 Y N 5.890 126.250 120.300 0.100 0.000 2.331 262 Y HA 0.475 5.025 4.550 0.000 0.000 0.334 262 Y C -1.902 174.105 175.900 0.179 0.000 0.960 262 Y CA -0.806 57.355 58.100 0.102 0.000 1.130 262 Y CB 1.160 39.668 38.460 0.080 0.000 1.164 262 Y HN 0.651 nan 8.280 nan 0.000 0.458 263 Y N 6.975 127.001 120.300 -0.455 0.000 2.332 263 Y HA 0.350 4.900 4.550 0.000 0.000 0.326 263 Y C -0.231 175.388 175.900 -0.468 0.000 0.978 263 Y CA -1.500 56.407 58.100 -0.322 0.000 1.205 263 Y CB 0.542 38.935 38.460 -0.110 0.000 1.131 263 Y HN 0.824 nan 8.280 nan 0.000 0.462 264 N N 4.539 122.649 118.700 -0.983 0.000 2.698 264 N HA -0.224 4.516 4.740 0.000 0.000 0.258 264 N C 1.081 176.262 175.510 -0.548 0.000 0.978 264 N CA 1.863 54.489 53.050 -0.707 0.000 0.777 264 N CB -1.042 37.015 38.487 -0.717 0.000 0.907 264 N HN 1.321 nan 8.380 nan 0.000 0.543 265 G N -1.956 106.322 108.800 -0.869 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 0.038 174.796 174.900 -0.236 0.000 0.998 265 G CA 0.272 45.182 45.100 -0.318 0.000 0.621 265 G HN 0.406 nan 8.290 nan 0.000 0.519 266 L N 1.044 122.067 121.223 -0.334 0.000 2.265 266 L HA 0.413 4.753 4.340 0.000 0.000 0.288 266 L C 0.538 177.318 176.870 -0.150 0.000 1.058 266 L CA -0.385 54.331 54.840 -0.206 0.000 0.809 266 L CB 1.240 43.155 42.059 -0.241 0.000 1.179 266 L HN 0.044 nan 8.230 nan 0.000 0.429 267 K N 3.294 123.661 120.400 -0.054 0.000 2.559 267 K HA 0.138 4.458 4.320 0.000 0.000 0.236 267 K C 1.143 177.707 176.600 -0.060 0.000 1.185 267 K CA -0.296 56.008 56.287 0.029 0.000 1.157 267 K CB 0.804 33.361 32.500 0.094 0.000 1.782 267 K HN 0.463 nan 8.250 nan 0.000 0.419 268 V N 0.952 120.782 119.914 -0.141 0.000 2.311 268 V HA -0.359 3.761 4.120 0.000 0.000 0.256 268 V C 2.064 178.077 176.094 -0.135 0.000 1.077 268 V CA 1.837 64.004 62.300 -0.223 0.000 1.067 268 V CB -0.579 31.103 31.823 -0.235 0.000 0.659 268 V HN 0.645 nan 8.190 nan 0.000 0.451 269 L N -0.044 121.144 121.223 -0.058 0.000 2.083 269 L HA -0.153 4.187 4.340 0.000 0.000 0.209 269 L C 2.512 179.424 176.870 0.072 0.000 1.083 269 L CA 1.503 56.335 54.840 -0.014 0.000 0.752 269 L CB -0.649 41.453 42.059 0.072 0.000 0.899 269 L HN 0.438 nan 8.230 nan 0.000 0.433 270 N N -0.106 118.627 118.700 0.056 0.000 2.135 270 N HA -0.162 4.578 4.740 0.000 0.000 0.186 270 N C 1.896 177.429 175.510 0.039 0.000 1.027 270 N CA 1.264 54.354 53.050 0.067 0.000 0.849 270 N CB -0.288 38.227 38.487 0.047 0.000 1.002 270 N HN 0.242 nan 8.380 nan 0.000 0.425 271 M N 1.010 120.601 119.600 -0.016 0.000 2.103 271 M HA -0.243 4.237 4.480 0.000 0.000 0.255 271 M C 2.077 178.373 176.300 -0.006 0.000 1.074 271 M CA 1.992 57.269 55.300 -0.039 0.000 1.090 271 M CB -0.189 32.326 32.600 -0.142 0.000 1.325 271 M HN 0.228 nan 8.290 nan 0.000 0.403 272 A N -0.375 122.435 122.820 -0.018 0.000 1.873 272 A HA -0.061 4.259 4.320 0.000 0.000 0.215 272 A C 2.277 179.921 177.584 0.099 0.000 1.186 272 A CA 1.879 53.914 52.037 -0.003 0.000 0.616 272 A CB -1.098 17.814 19.000 -0.148 0.000 0.823 272 A HN 0.557 nan 8.150 nan 0.000 0.442 273 A N 0.234 123.158 122.820 0.173 0.000 1.883 273 A HA -0.169 4.151 4.320 0.000 0.000 0.217 273 A C 1.606 179.244 177.584 0.090 0.000 1.186 273 A CA 1.483 53.631 52.037 0.184 0.000 0.624 273 A CB -0.567 18.532 19.000 0.165 0.000 0.822 273 A HN 0.637 nan 8.150 nan 0.000 0.444 274 E N 0.997 121.235 120.200 0.063 0.000 2.335 274 E HA 0.016 4.366 4.350 0.000 0.000 0.191 274 E C -0.749 175.874 176.600 0.038 0.000 1.150 274 E CA -0.242 56.183 56.400 0.042 0.000 1.001 274 E CB -0.469 29.251 29.700 0.032 0.000 1.127 274 E HN 0.517 nan 8.360 nan 0.000 0.462 275 N N 3.035 121.762 118.700 0.045 0.000 2.607 275 N HA -0.176 4.564 4.740 0.000 0.000 0.285 275 N C -0.739 174.791 175.510 0.034 0.000 1.151 275 N CA 0.889 53.962 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 0.391 nan 8.380 nan 0.000 0.552 276 D N 0.102 120.526 120.400 0.039 0.000 2.304 276 D HA 0.326 4.966 4.640 0.000 0.000 0.250 276 D C 1.094 177.421 176.300 0.046 0.000 1.107 276 D CA 0.072 54.102 54.000 0.050 0.000 0.885 276 D CB 1.138 41.980 40.800 0.071 0.000 1.192 276 D HN 0.395 nan 8.370 nan 0.000 0.436 277 A N 4.457 127.300 122.820 0.040 0.000 2.076 277 A HA -0.198 4.122 4.320 0.000 0.000 0.220 277 A C 1.500 179.084 177.584 -0.001 0.000 1.160 277 A CA 1.214 53.263 52.037 0.019 0.000 0.653 277 A CB -0.132 18.878 19.000 0.017 0.000 0.801 277 A HN 0.646 nan 8.150 nan 0.000 0.455 278 N N -0.859 117.846 118.700 0.007 0.000 2.368 278 N HA 0.177 4.917 4.740 0.000 0.000 0.178 278 N C 0.264 175.736 175.510 -0.065 0.000 1.076 278 N CA 0.065 53.060 53.050 -0.092 0.000 0.889 278 N CB 0.342 38.669 38.487 -0.266 0.000 1.040 278 N HN 0.406 nan 8.380 nan 0.000 0.463 279 I N 1.774 122.383 120.570 0.065 0.000 2.496 279 I HA 0.186 4.356 4.170 0.000 0.000 0.285 279 I C -0.014 176.107 176.117 0.007 0.000 1.080 279 I CA -0.336 61.003 61.300 0.065 0.000 1.404 279 I CB 0.910 38.951 38.000 0.069 0.000 1.403 279 I HN -0.036 nan 8.210 nan 0.000 0.539 280 A N 8.343 131.156 122.820 -0.011 0.000 2.332 280 A HA 0.701 5.021 4.320 0.000 0.000 0.300 280 A C -0.623 176.953 177.584 -0.013 0.000 1.153 280 A CA -0.499 51.531 52.037 -0.013 0.000 0.764 280 A CB 0.645 19.633 19.000 -0.020 0.000 1.174 280 A HN 0.641 nan 8.150 nan 0.000 0.467 281 I N 2.413 122.979 120.570 -0.008 0.000 2.359 281 I HA 0.590 4.760 4.170 0.000 0.000 0.294 281 I C -0.645 175.475 176.117 0.004 0.000 0.987 281 I CA -0.794 60.500 61.300 -0.009 0.000 1.225 281 I CB 1.722 39.720 38.000 -0.003 0.000 1.366 281 I HN 0.298 nan 8.210 nan 0.000 0.466 282 V N 4.553 124.475 119.914 0.012 0.000 2.891 282 V HA 0.887 5.007 4.120 0.000 0.000 0.304 282 V C 0.173 176.286 176.094 0.031 0.000 1.171 282 V CA -0.087 62.224 62.300 0.018 0.000 0.943 282 V CB 1.616 33.450 31.823 0.017 0.000 1.037 282 V HN 1.132 nan 8.190 nan 0.000 0.427 283 G N 3.712 112.526 108.800 0.024 0.000 2.352 283 G HA2 -0.127 3.833 3.960 0.000 0.000 0.324 283 G HA3 -0.127 3.833 3.960 0.000 0.000 0.324 283 G C -0.259 174.650 174.900 0.014 0.000 1.249 283 G CA -0.112 45.009 45.100 0.036 0.000 1.053 283 G HN 0.644 nan 8.290 nan 0.000 0.492 284 N N 0.628 119.342 118.700 0.024 0.000 2.623 284 N HA 0.301 5.041 4.740 0.000 0.000 0.263 284 N C 0.416 175.881 175.510 -0.075 0.000 1.218 284 N CA 0.296 53.343 53.050 -0.005 0.000 0.949 284 N CB -0.038 38.462 38.487 0.023 0.000 1.270 284 N HN 0.517 nan 8.380 nan 0.000 0.507 285 V N 0.856 120.688 119.914 -0.137 0.000 2.539 285 V HA 0.481 4.601 4.120 0.000 0.000 0.292 285 V C 0.386 176.393 176.094 -0.145 0.000 1.045 285 V CA -0.614 61.494 62.300 -0.320 0.000 0.945 285 V CB 1.656 33.222 31.823 -0.429 0.000 0.993 285 V HN 0.152 nan 8.190 nan 0.000 0.464 286 R N 2.557 122.965 120.500 -0.154 0.000 2.725 286 R HA 0.650 4.990 4.340 0.000 0.000 0.277 286 R C -1.473 174.656 176.300 -0.286 0.000 0.987 286 R CA -0.917 55.103 56.100 -0.134 0.000 0.901 286 R CB 2.039 32.269 30.300 -0.116 0.000 1.207 286 R HN 0.534 nan 8.270 nan 0.000 0.463 287 L N 1.632 122.612 121.223 -0.404 0.000 2.379 287 L HA 0.584 4.924 4.340 0.000 0.000 0.269 287 L C -0.728 175.913 176.870 -0.382 0.000 1.084 287 L CA -0.232 54.175 54.840 -0.721 0.000 0.802 287 L CB 1.745 43.431 42.059 -0.621 0.000 1.175 287 L HN 0.441 nan 8.230 nan 0.000 0.448 288 V N 0.000 119.705 119.914 -0.348 0.000 2.409 288 V HA 0.000 4.120 4.120 0.000 0.000 0.244 288 V CA 0.000 62.194 62.300 -0.177 0.000 1.235 288 V CB 0.000 31.754 31.823 -0.114 0.000 1.184 288 V HN 0.000 nan 8.190 nan 0.000 0.556