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 2wqz_1_D 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 0.000 175.181 175.328 -0.245 0.000 0.993 82 H CA 0.000 55.809 56.048 -0.398 0.000 1.023 82 H CB 0.000 29.597 29.762 -0.274 0.000 1.292 83 A N 2.023 124.825 122.820 -0.030 0.000 3.176 83 A HA 0.656 4.976 4.320 -0.000 0.000 0.265 83 A C 0.479 178.084 177.584 0.036 0.000 0.936 83 A CA 0.181 52.221 52.037 0.004 0.000 1.033 83 A CB 0.521 19.524 19.000 0.005 0.000 1.158 83 A HN 0.775 nan 8.150 nan 0.000 0.485 84 G N -1.132 107.705 108.800 0.061 0.000 2.731 84 G HA2 0.459 4.419 3.960 -0.000 0.000 0.309 84 G HA3 0.459 4.419 3.960 -0.000 0.000 0.309 84 G C -0.592 174.367 174.900 0.098 0.000 1.273 84 G CA -0.209 44.938 45.100 0.077 0.000 0.798 84 G HN 0.086 nan 8.290 nan 0.000 0.509 85 T N 2.380 117.006 114.554 0.120 0.000 3.121 85 T HA 0.359 4.709 4.350 -0.000 0.000 0.256 85 T C 0.557 175.397 174.700 0.233 0.000 0.942 85 T CA 0.414 62.605 62.100 0.152 0.000 1.158 85 T CB -0.657 68.317 68.868 0.176 0.000 0.963 85 T HN 0.482 nan 8.240 nan 0.000 0.660 86 T N 3.207 117.856 114.554 0.158 0.000 2.860 86 T HA 0.356 4.706 4.350 -0.000 0.000 0.299 86 T C -0.558 174.252 174.700 0.183 0.000 1.045 86 T CA -0.038 62.172 62.100 0.184 0.000 1.071 86 T CB 0.375 69.269 68.868 0.043 0.000 0.985 86 T HN 0.469 nan 8.240 nan 0.000 0.537 87 Y N 0.212 120.574 120.300 0.103 0.000 2.399 87 Y HA 0.458 5.008 4.550 -0.000 0.000 0.327 87 Y C -0.186 175.786 175.900 0.121 0.000 1.111 87 Y CA -0.756 57.391 58.100 0.078 0.000 1.047 87 Y CB 1.252 39.775 38.460 0.105 0.000 1.259 87 Y HN 0.558 nan 8.280 nan 0.000 0.434 88 I N 2.830 123.473 120.570 0.121 0.000 3.078 88 I HA 0.458 4.628 4.170 -0.000 0.000 0.318 88 I C -1.156 175.008 176.117 0.077 0.000 1.016 88 I CA -0.563 60.811 61.300 0.123 0.000 1.130 88 I CB 1.052 39.054 38.000 0.004 0.000 1.397 88 I HN 0.520 nan 8.210 nan 0.000 0.570 89 F N 0.605 120.575 119.950 0.033 0.000 2.631 89 F HA 0.449 4.975 4.527 -0.000 0.000 0.308 89 F C -0.290 175.451 175.800 -0.099 0.000 1.097 89 F CA -0.219 57.768 58.000 -0.023 0.000 0.952 89 F CB 2.201 41.148 39.000 -0.087 0.000 1.307 89 F HN 0.255 nan 8.300 nan 0.000 0.450 90 S N 0.446 116.205 115.700 0.099 0.000 2.643 90 S HA 0.385 4.855 4.470 -0.000 0.000 0.270 90 S C -1.367 173.245 174.600 0.020 0.000 1.166 90 S CA -1.197 57.017 58.200 0.022 0.000 0.815 90 S CB 2.077 65.277 63.200 -0.000 0.000 1.139 90 S HN 0.407 nan 8.310 nan 0.000 0.472 91 K N 0.752 121.154 120.400 0.004 0.000 2.436 91 K HA 0.388 4.708 4.320 -0.000 0.000 0.275 91 K C 1.003 177.613 176.600 0.016 0.000 0.999 91 K CA 1.288 57.580 56.287 0.007 0.000 0.980 91 K CB 0.155 32.656 32.500 0.002 0.000 0.919 91 K HN 0.892 nan 8.250 nan 0.000 0.484 92 G N 1.991 110.803 108.800 0.021 0.000 3.138 92 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.247 92 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.247 92 G C -0.004 174.918 174.900 0.035 0.000 1.642 92 G CA -0.383 44.731 45.100 0.024 0.000 1.087 92 G HN 0.845 nan 8.290 nan 0.000 0.558 93 G N 0.226 109.048 108.800 0.036 0.000 2.487 93 G HA2 0.709 4.669 3.960 -0.000 0.000 0.314 93 G HA3 0.709 4.669 3.960 -0.000 0.000 0.314 93 G C -0.038 174.898 174.900 0.060 0.000 1.267 93 G CA 0.417 45.546 45.100 0.049 0.000 0.937 93 G HN 1.861 nan 8.290 nan 0.000 0.481 94 G N 1.355 110.217 108.800 0.104 0.000 3.594 94 G HA2 0.460 4.420 3.960 -0.000 0.000 0.295 94 G HA3 0.460 4.420 3.960 -0.000 0.000 0.295 94 G C -0.782 174.284 174.900 0.277 0.000 1.576 94 G CA -0.303 44.881 45.100 0.140 0.000 0.661 94 G HN 0.677 nan 8.290 nan 0.000 0.452 95 Q N 2.269 122.191 119.800 0.203 0.000 2.359 95 Q HA 0.557 4.896 4.340 -0.000 0.000 0.274 95 Q C -1.536 174.561 176.000 0.162 0.000 1.074 95 Q CA -0.740 55.219 55.803 0.259 0.000 0.810 95 Q CB 2.940 31.783 28.738 0.175 0.000 1.342 95 Q HN 0.424 nan 8.270 nan 0.000 0.427 96 I N 1.374 122.058 120.570 0.191 0.000 2.676 96 I HA 0.456 4.625 4.170 -0.000 0.000 0.309 96 I C -0.781 175.380 176.117 0.072 0.000 0.990 96 I CA -0.354 61.004 61.300 0.096 0.000 1.168 96 I CB 2.127 40.181 38.000 0.090 0.000 1.343 96 I HN 0.623 nan 8.210 nan 0.000 0.482 97 T N 4.805 119.380 114.554 0.034 0.000 3.050 97 T HA 0.261 4.611 4.350 -0.000 0.000 0.310 97 T C -1.009 173.693 174.700 0.004 0.000 0.978 97 T CA -0.205 61.913 62.100 0.030 0.000 1.013 97 T CB 0.419 69.296 68.868 0.015 0.000 1.000 97 T HN 0.349 nan 8.240 nan 0.000 0.447 98 Y N 2.752 122.993 120.300 -0.098 0.000 2.299 98 Y HA 0.548 5.098 4.550 -0.000 0.000 0.335 98 Y C 0.495 176.322 175.900 -0.123 0.000 1.287 98 Y CA -0.013 57.986 58.100 -0.168 0.000 1.424 98 Y CB 0.719 38.992 38.460 -0.311 0.000 1.326 98 Y HN 0.449 nan 8.280 nan 0.000 0.567 99 K N 4.410 124.679 120.400 -0.217 0.000 2.731 99 K HA 0.097 4.417 4.320 -0.000 0.000 0.257 99 K C -1.476 175.159 176.600 0.058 0.000 1.032 99 K CA -0.548 55.740 56.287 0.002 0.000 0.983 99 K CB 0.423 32.891 32.500 -0.053 0.000 1.248 99 K HN 0.617 nan 8.250 nan 0.000 0.484 100 W N 3.918 125.379 121.300 0.268 0.000 2.187 100 W HA 0.047 4.707 4.660 -0.000 0.000 0.348 100 W C -2.013 174.551 176.519 0.075 0.000 1.282 100 W CA -1.132 56.347 57.345 0.225 0.000 1.271 100 W CB 0.265 29.803 29.460 0.132 0.000 1.170 100 W HN 0.397 nan 8.180 nan 0.000 0.583 101 P HA 0.074 nan 4.420 nan 0.000 0.269 101 P C -1.915 175.460 177.300 0.125 0.000 1.252 101 P CA -1.036 62.159 63.100 0.157 0.000 0.780 101 P CB 0.274 32.053 31.700 0.131 0.000 0.829 102 P HA -0.244 nan 4.420 nan 0.000 0.219 102 P C 0.928 178.247 177.300 0.032 0.000 1.153 102 P CA 1.585 64.722 63.100 0.062 0.000 0.865 102 P CB -0.219 31.506 31.700 0.041 0.000 0.788 103 N N -1.061 117.655 118.700 0.026 0.000 2.575 103 N HA -0.044 4.696 4.740 -0.000 0.000 0.192 103 N C -0.578 174.923 175.510 -0.015 0.000 1.200 103 N CA 0.710 53.762 53.050 0.004 0.000 0.897 103 N CB -0.250 38.240 38.487 0.006 0.000 0.990 103 N HN 0.107 nan 8.380 nan 0.000 0.449 104 D N 0.022 120.415 120.400 -0.011 0.000 2.552 104 D HA 0.180 4.820 4.640 -0.000 0.000 0.285 104 D C -0.483 175.688 176.300 -0.215 0.000 1.206 104 D CA -0.193 53.772 54.000 -0.059 0.000 0.826 104 D CB 0.422 41.243 40.800 0.035 0.000 1.179 104 D HN 0.069 nan 8.370 nan 0.000 0.508 105 R N 1.695 122.018 120.500 -0.296 0.000 2.724 105 R HA 0.228 4.568 4.340 -0.000 0.000 0.284 105 R C -1.846 174.119 176.300 -0.557 0.000 1.481 105 R CA -1.370 54.444 56.100 -0.476 0.000 1.652 105 R CB 1.575 31.722 30.300 -0.255 0.000 1.175 105 R HN 0.053 nan 8.270 nan 0.000 0.613 106 P HA -0.261 nan 4.420 nan 0.000 0.219 106 P C -0.412 176.677 177.300 -0.352 0.000 1.159 106 P CA 1.255 64.060 63.100 -0.491 0.000 0.944 106 P CB 0.063 31.417 31.700 -0.577 0.000 0.792 107 S N -1.869 113.595 115.700 -0.393 0.000 3.179 107 S HA -0.048 4.422 4.470 -0.000 0.000 0.739 107 S C 0.016 174.550 174.600 -0.110 0.000 0.754 107 S CA 0.506 58.574 58.200 -0.220 0.000 1.436 107 S CB -2.162 60.951 63.200 -0.145 0.000 1.035 107 S HN 0.450 nan 8.310 nan 0.000 0.743 108 T N 2.728 117.267 114.554 -0.025 0.000 2.942 108 T HA 0.498 4.848 4.350 -0.000 0.000 0.289 108 T C 1.460 176.189 174.700 0.049 0.000 1.044 108 T CA -1.116 60.981 62.100 -0.005 0.000 1.023 108 T CB 1.565 70.424 68.868 -0.015 0.000 1.123 108 T HN 0.485 nan 8.240 nan 0.000 0.512 109 R N 0.106 120.621 120.500 0.025 0.000 2.092 109 R HA 0.221 4.561 4.340 -0.000 0.000 0.231 109 R C 0.694 177.020 176.300 0.043 0.000 1.119 109 R CA 0.814 56.933 56.100 0.032 0.000 0.970 109 R CB 0.030 30.338 30.300 0.014 0.000 0.864 109 R HN 0.691 nan 8.270 nan 0.000 0.440 110 A N 0.678 123.521 122.820 0.039 0.000 2.393 110 A HA 0.398 4.718 4.320 -0.000 0.000 0.306 110 A C -1.507 176.116 177.584 0.065 0.000 1.050 110 A CA -0.829 51.235 52.037 0.045 0.000 0.724 110 A CB 1.466 20.479 19.000 0.022 0.000 1.248 110 A HN -0.025 nan 8.150 nan 0.000 0.424 111 D N 0.558 121.022 120.400 0.106 0.000 2.350 111 D HA 0.529 5.169 4.640 -0.000 0.000 0.245 111 D C -0.729 175.674 176.300 0.171 0.000 1.036 111 D CA -0.285 53.815 54.000 0.167 0.000 0.848 111 D CB 2.152 43.091 40.800 0.232 0.000 1.307 111 D HN 0.449 nan 8.370 nan 0.000 0.469 112 R N 2.099 122.684 120.500 0.142 0.000 2.494 112 R HA 0.261 4.601 4.340 -0.000 0.000 0.284 112 R C -1.266 175.003 176.300 -0.051 0.000 1.525 112 R CA -0.601 55.522 56.100 0.038 0.000 1.460 112 R CB -0.032 30.222 30.300 -0.077 0.000 1.134 112 R HN 0.193 nan 8.270 nan 0.000 0.592 113 L N 1.696 122.939 121.223 0.034 0.000 2.350 113 L HA 0.804 5.144 4.340 -0.000 0.000 0.275 113 L C -0.875 175.985 176.870 -0.017 0.000 1.099 113 L CA -0.198 54.573 54.840 -0.115 0.000 0.808 113 L CB 1.540 43.415 42.059 -0.307 0.000 1.149 113 L HN 0.632 nan 8.230 nan 0.000 0.442 114 A N 6.459 129.274 122.820 -0.008 0.000 2.456 114 A HA 0.733 5.053 4.320 -0.000 0.000 0.288 114 A C -1.265 176.377 177.584 0.097 0.000 1.042 114 A CA -0.352 51.752 52.037 0.112 0.000 0.738 114 A CB 0.725 19.909 19.000 0.308 0.000 1.266 114 A HN 0.745 nan 8.150 nan 0.000 0.407 115 I N 1.920 122.534 120.570 0.072 0.000 2.735 115 I HA 0.523 4.693 4.170 -0.000 0.000 0.287 115 I C -0.260 175.929 176.117 0.120 0.000 1.452 115 I CA -0.251 61.095 61.300 0.077 0.000 1.061 115 I CB 1.868 39.873 38.000 0.008 0.000 1.383 115 I HN 0.885 nan 8.210 nan 0.000 0.425 116 G N 6.937 115.828 108.800 0.151 0.000 2.522 116 G HA2 0.529 4.489 3.960 -0.000 0.000 0.318 116 G HA3 0.529 4.489 3.960 -0.000 0.000 0.318 116 G C -0.869 174.140 174.900 0.182 0.000 1.192 116 G CA -0.424 44.789 45.100 0.188 0.000 0.988 116 G HN 0.550 nan 8.290 nan 0.000 0.480 117 F N 1.494 121.506 119.950 0.103 0.000 2.590 117 F HA 0.859 5.386 4.527 -0.000 0.000 0.379 117 F C 0.131 176.146 175.800 0.358 0.000 1.154 117 F CA -0.990 57.138 58.000 0.215 0.000 1.136 117 F CB 1.784 40.860 39.000 0.127 0.000 1.601 117 F HN 0.441 nan 8.300 nan 0.000 0.504 118 S N -0.075 115.779 115.700 0.257 0.000 2.288 118 S HA 0.304 4.774 4.470 -0.000 0.000 0.258 118 S C -0.879 173.918 174.600 0.329 0.000 0.919 118 S CA -0.641 57.615 58.200 0.094 0.000 1.010 118 S CB 0.143 63.468 63.200 0.208 0.000 1.231 118 S HN 1.015 nan 8.310 nan 0.000 0.403 119 T N 0.728 115.522 114.554 0.400 0.000 2.905 119 T HA 0.791 5.141 4.350 -0.000 0.000 0.283 119 T C 0.127 174.954 174.700 0.212 0.000 1.031 119 T CA -0.039 62.287 62.100 0.378 0.000 1.002 119 T CB 1.509 70.738 68.868 0.602 0.000 1.200 119 T HN 1.609 nan 8.240 nan 0.000 0.560 120 V N 0.307 120.304 119.914 0.138 0.000 2.947 120 V HA 0.538 4.658 4.120 -0.000 0.000 0.381 120 V C -0.443 175.696 176.094 0.075 0.000 1.376 120 V CA -0.527 61.830 62.300 0.094 0.000 1.292 120 V CB 0.048 31.906 31.823 0.058 0.000 1.295 120 V HN 0.740 nan 8.190 nan 0.000 0.617 121 Q N 1.049 120.909 119.800 0.100 0.000 2.321 121 Q HA 0.471 4.811 4.340 -0.000 0.000 0.270 121 Q C 0.397 176.437 176.000 0.067 0.000 1.032 121 Q CA -0.757 55.091 55.803 0.075 0.000 0.784 121 Q CB 2.255 31.039 28.738 0.076 0.000 1.264 121 Q HN 0.250 nan 8.270 nan 0.000 0.448 122 K N 1.430 121.853 120.400 0.038 0.000 1.988 122 K HA -0.100 4.219 4.320 -0.000 0.000 0.221 122 K C 0.066 176.668 176.600 0.002 0.000 1.053 122 K CA 1.587 57.881 56.287 0.012 0.000 0.959 122 K CB 0.162 32.664 32.500 0.004 0.000 0.728 122 K HN 0.585 nan 8.250 nan 0.000 0.447 123 E N -0.494 119.721 120.200 0.025 0.000 2.227 123 E HA 0.615 4.965 4.350 -0.000 0.000 0.268 123 E C -0.866 175.775 176.600 0.069 0.000 0.907 123 E CA -0.565 55.861 56.400 0.043 0.000 0.786 123 E CB 2.150 31.888 29.700 0.063 0.000 1.191 123 E HN 0.300 nan 8.360 nan 0.000 0.411 124 A N 0.936 123.803 122.820 0.078 0.000 2.452 124 A HA 0.456 4.776 4.320 -0.000 0.000 0.294 124 A C -1.669 175.963 177.584 0.080 0.000 1.010 124 A CA -0.608 51.482 52.037 0.089 0.000 0.613 124 A CB 0.860 19.936 19.000 0.125 0.000 1.363 124 A HN 0.225 nan 8.150 nan 0.000 0.463 125 V N 1.994 121.942 119.914 0.057 0.000 2.448 125 V HA 0.359 4.479 4.120 -0.000 0.000 0.295 125 V C 0.753 176.776 176.094 -0.117 0.000 1.025 125 V CA -0.486 61.818 62.300 0.006 0.000 0.859 125 V CB 1.574 33.399 31.823 0.003 0.000 0.988 125 V HN 0.885 nan 8.190 nan 0.000 0.431 126 L N 5.215 126.274 121.223 -0.274 0.000 2.145 126 L HA 0.367 4.707 4.340 -0.000 0.000 0.201 126 L C 0.353 176.930 176.870 -0.488 0.000 1.075 126 L CA 1.744 56.213 54.840 -0.618 0.000 0.773 126 L CB 0.914 42.533 42.059 -0.732 0.000 0.936 126 L HN 0.478 nan 8.230 nan 0.000 0.451 127 V N -0.667 119.060 119.914 -0.311 0.000 3.216 127 V HA 0.512 4.632 4.120 -0.000 0.000 0.302 127 V C -0.878 175.124 176.094 -0.154 0.000 1.286 127 V CA -0.885 61.274 62.300 -0.234 0.000 1.048 127 V CB 2.998 34.646 31.823 -0.291 0.000 1.081 127 V HN 0.260 nan 8.190 nan 0.000 0.442 128 R N 0.909 121.347 120.500 -0.103 0.000 2.678 128 R HA 0.544 4.884 4.340 -0.000 0.000 0.267 128 R C -1.707 174.611 176.300 0.030 0.000 1.173 128 R CA -0.387 55.690 56.100 -0.038 0.000 1.061 128 R CB 1.909 32.199 30.300 -0.018 0.000 1.262 128 R HN 0.723 nan 8.270 nan 0.000 0.427 129 V N 0.986 120.958 119.914 0.098 0.000 2.439 129 V HA 0.512 4.632 4.120 -0.000 0.000 0.282 129 V C -0.158 176.144 176.094 0.346 0.000 1.039 129 V CA -0.282 62.163 62.300 0.242 0.000 0.913 129 V CB 1.714 33.759 31.823 0.370 0.000 0.983 129 V HN 0.756 nan 8.190 nan 0.000 0.460 130 D N 2.391 122.960 120.400 0.283 0.000 2.469 130 D HA 0.183 4.823 4.640 -0.000 0.000 0.215 130 D C 1.392 177.849 176.300 0.262 0.000 1.154 130 D CA 1.001 55.157 54.000 0.260 0.000 0.832 130 D CB 0.914 41.796 40.800 0.136 0.000 1.008 130 D HN 1.098 nan 8.370 nan 0.000 0.506 131 S N 0.314 116.138 115.700 0.206 0.000 4.158 131 S HA -0.276 4.194 4.470 -0.000 0.000 0.604 131 S C 0.630 175.254 174.600 0.041 0.000 1.867 131 S CA 1.381 59.611 58.200 0.048 0.000 4.249 131 S CB -1.681 61.642 63.200 0.205 0.000 0.204 131 S HN 0.720 nan 8.310 nan 0.000 0.457 132 S N 0.200 115.940 115.700 0.067 0.000 3.003 132 S HA 0.774 5.244 4.470 -0.000 0.000 0.313 132 S C -0.195 174.438 174.600 0.055 0.000 1.230 132 S CA -0.081 58.150 58.200 0.051 0.000 0.977 132 S CB 0.969 64.184 63.200 0.024 0.000 1.340 132 S HN 1.503 nan 8.310 nan 0.000 0.608 133 S N -0.093 115.631 115.700 0.040 0.000 2.634 133 S HA 0.578 5.048 4.470 -0.000 0.000 0.261 133 S C 1.277 175.898 174.600 0.036 0.000 1.271 133 S CA 0.359 58.579 58.200 0.035 0.000 0.985 133 S CB 0.035 63.250 63.200 0.025 0.000 0.968 133 S HN 2.152 nan 8.310 nan 0.000 0.568 134 G N -0.002 108.817 108.800 0.031 0.000 2.269 134 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.277 134 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.277 134 G C -0.277 174.648 174.900 0.042 0.000 1.008 134 G CA 0.432 45.550 45.100 0.030 0.000 0.774 134 G HN 0.512 nan 8.290 nan 0.000 0.511 135 L N -0.806 120.453 121.223 0.061 0.000 2.541 135 L HA 0.496 4.836 4.340 -0.000 0.000 0.266 135 L C 1.211 178.157 176.870 0.126 0.000 0.966 135 L CA -0.270 54.623 54.840 0.088 0.000 0.871 135 L CB 1.727 43.843 42.059 0.094 0.000 1.232 135 L HN 0.096 nan 8.230 nan 0.000 0.408 136 G N 0.694 109.568 108.800 0.123 0.000 3.026 136 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.208 136 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.208 136 G C 0.106 175.154 174.900 0.247 0.000 1.169 136 G CA -0.218 44.985 45.100 0.171 0.000 0.788 136 G HN 0.536 nan 8.290 nan 0.000 0.533 137 D N 0.342 120.869 120.400 0.211 0.000 2.425 137 D HA 0.441 5.081 4.640 -0.000 0.000 0.247 137 D C -0.124 176.380 176.300 0.340 0.000 1.147 137 D CA 0.473 54.578 54.000 0.176 0.000 0.879 137 D CB 0.478 41.470 40.800 0.321 0.000 1.179 137 D HN 0.511 nan 8.370 nan 0.000 0.456 138 Y N 0.002 120.264 120.300 -0.063 0.000 2.741 138 Y HA 0.594 5.144 4.550 -0.000 0.000 0.339 138 Y C -2.399 173.397 175.900 -0.174 0.000 1.226 138 Y CA -1.582 56.517 58.100 -0.002 0.000 1.072 138 Y CB 0.861 39.346 38.460 0.042 0.000 1.331 138 Y HN 0.227 nan 8.280 nan 0.000 0.453 139 L N 2.427 123.692 121.223 0.070 0.000 2.528 139 L HA 0.563 4.903 4.340 -0.000 0.000 0.267 139 L C -1.553 175.307 176.870 -0.016 0.000 0.961 139 L CA -0.366 54.392 54.840 -0.136 0.000 0.866 139 L CB 2.001 43.880 42.059 -0.299 0.000 1.248 139 L HN 0.867 nan 8.230 nan 0.000 0.404 140 E N 5.106 125.297 120.200 -0.015 0.000 2.460 140 E HA 0.216 4.566 4.350 -0.000 0.000 0.249 140 E C -1.502 175.040 176.600 -0.097 0.000 0.962 140 E CA -0.843 55.537 56.400 -0.033 0.000 0.787 140 E CB 1.368 31.091 29.700 0.038 0.000 1.341 140 E HN 0.672 nan 8.360 nan 0.000 0.407 141 L N 6.247 127.361 121.223 -0.182 0.000 2.499 141 L HA 0.114 4.454 4.340 -0.000 0.000 0.273 141 L C -0.714 176.122 176.870 -0.057 0.000 1.195 141 L CA 0.597 55.342 54.840 -0.158 0.000 0.882 141 L CB 0.223 42.106 42.059 -0.292 0.000 1.133 141 L HN 0.512 nan 8.230 nan 0.000 0.483 142 H N 4.046 123.013 119.070 -0.171 0.000 2.954 142 H HA 0.322 4.878 4.556 -0.000 0.000 0.361 142 H C -0.529 174.747 175.328 -0.086 0.000 1.122 142 H CA -1.348 54.623 56.048 -0.129 0.000 1.217 142 H CB 0.539 30.264 29.762 -0.061 0.000 1.776 142 H HN 0.532 nan 8.280 nan 0.000 0.533 143 I N 2.764 123.233 120.570 -0.169 0.000 3.702 143 I HA -0.010 4.160 4.170 -0.000 0.000 0.305 143 I C 0.777 176.813 176.117 -0.134 0.000 1.346 143 I CA -0.012 61.194 61.300 -0.157 0.000 1.258 143 I CB -1.578 36.386 38.000 -0.059 0.000 1.121 143 I HN 0.534 nan 8.210 nan 0.000 0.437 144 H N 3.408 122.248 119.070 -0.385 0.000 3.091 144 H HA 0.029 4.585 4.556 -0.000 0.000 0.289 144 H C 0.726 175.969 175.328 -0.142 0.000 0.995 144 H CA 0.538 56.426 56.048 -0.267 0.000 1.461 144 H CB 0.298 29.823 29.762 -0.396 0.000 1.510 144 H HN 0.301 nan 8.280 nan 0.000 0.546 145 Q N 3.325 122.824 119.800 -0.502 0.000 2.374 145 Q HA -0.204 4.136 4.340 -0.000 0.000 0.218 145 Q C 1.081 176.983 176.000 -0.164 0.000 0.691 145 Q CA 1.239 56.812 55.803 -0.383 0.000 1.340 145 Q CB -1.958 26.498 28.738 -0.470 0.000 1.498 145 Q HN 1.284 nan 8.270 nan 0.000 0.739 146 G N -0.067 108.669 108.800 -0.107 0.000 2.141 146 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.242 146 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.242 146 G C -0.107 174.777 174.900 -0.027 0.000 0.982 146 G CA 0.507 45.589 45.100 -0.031 0.000 0.662 146 G HN 0.167 nan 8.290 nan 0.000 0.527 147 K N 0.333 120.693 120.400 -0.066 0.000 2.473 147 K HA 0.597 4.917 4.320 -0.000 0.000 0.246 147 K C 0.197 176.740 176.600 -0.095 0.000 1.011 147 K CA -0.768 55.487 56.287 -0.054 0.000 0.984 147 K CB 0.905 33.387 32.500 -0.030 0.000 1.250 147 K HN 0.140 nan 8.250 nan 0.000 0.454 148 I N 2.473 122.983 120.570 -0.099 0.000 2.769 148 I HA 0.115 4.285 4.170 -0.000 0.000 0.285 148 I C 0.782 176.828 176.117 -0.117 0.000 1.173 148 I CA 0.833 62.028 61.300 -0.176 0.000 1.389 148 I CB 0.067 37.911 38.000 -0.261 0.000 1.404 148 I HN 0.602 nan 8.210 nan 0.000 0.544 149 G N 5.332 114.075 108.800 -0.095 0.000 2.740 149 G HA2 0.585 4.545 3.960 -0.000 0.000 0.296 149 G HA3 0.585 4.545 3.960 -0.000 0.000 0.296 149 G C -1.010 173.984 174.900 0.158 0.000 1.439 149 G CA -0.566 44.547 45.100 0.020 0.000 1.066 149 G HN 0.289 nan 8.290 nan 0.000 0.527 150 V N 1.640 121.629 119.914 0.126 0.000 2.881 150 V HA 0.609 4.729 4.120 -0.000 0.000 0.303 150 V C 0.391 176.594 176.094 0.182 0.000 1.070 150 V CA -0.346 62.009 62.300 0.092 0.000 1.074 150 V CB 1.602 33.439 31.823 0.023 0.000 1.012 150 V HN 0.777 nan 8.190 nan 0.000 0.482 151 K N 4.115 124.600 120.400 0.141 0.000 2.589 151 K HA 0.487 4.807 4.320 -0.000 0.000 0.253 151 K C -1.835 174.835 176.600 0.118 0.000 0.974 151 K CA -0.431 55.945 56.287 0.148 0.000 0.835 151 K CB 1.855 34.351 32.500 -0.006 0.000 1.272 151 K HN 0.695 nan 8.250 nan 0.000 0.444 152 F N 0.766 120.503 119.950 -0.356 0.000 2.641 152 F HA 0.470 4.997 4.527 -0.000 0.000 0.308 152 F C -1.684 173.732 175.800 -0.641 0.000 1.105 152 F CA -0.944 56.632 58.000 -0.707 0.000 0.964 152 F CB 1.595 40.278 39.000 -0.529 0.000 1.294 152 F HN 0.373 nan 8.300 nan 0.000 0.442 153 N N 2.616 120.788 118.700 -0.880 0.000 2.442 153 N HA 0.410 5.150 4.740 -0.000 0.000 0.274 153 N C 0.182 175.437 175.510 -0.425 0.000 1.002 153 N CA -0.658 52.050 53.050 -0.571 0.000 0.910 153 N CB 2.423 40.689 38.487 -0.369 0.000 1.244 153 N HN 0.735 nan 8.380 nan 0.000 0.492 154 V N 1.004 120.725 119.914 -0.321 0.000 3.354 154 V HA 0.480 4.600 4.120 -0.000 0.000 0.258 154 V C 1.159 177.200 176.094 -0.088 0.000 1.159 154 V CA 1.300 63.484 62.300 -0.194 0.000 1.125 154 V CB 0.269 32.024 31.823 -0.112 0.000 0.774 154 V HN 0.750 nan 8.190 nan 0.000 0.464 155 G N 0.652 109.388 108.800 -0.107 0.000 4.339 155 G HA2 0.049 4.009 3.960 -0.000 0.000 0.163 155 G HA3 0.049 4.009 3.960 -0.000 0.000 0.163 155 G C 0.951 175.814 174.900 -0.062 0.000 1.118 155 G CA 0.809 45.876 45.100 -0.055 0.000 1.022 155 G HN 0.417 nan 8.290 nan 0.000 0.337 156 T N 0.445 114.949 114.554 -0.084 0.000 2.925 156 T HA 0.325 4.675 4.350 -0.000 0.000 0.232 156 T C 0.421 175.069 174.700 -0.087 0.000 1.055 156 T CA 1.278 63.335 62.100 -0.072 0.000 1.419 156 T CB -0.310 68.518 68.868 -0.067 0.000 1.094 156 T HN 0.193 nan 8.240 nan 0.000 0.423 157 D N 1.345 121.674 120.400 -0.118 0.000 2.385 157 D HA 0.523 5.163 4.640 -0.000 0.000 0.254 157 D C -1.228 174.952 176.300 -0.200 0.000 1.053 157 D CA -0.601 53.325 54.000 -0.123 0.000 0.992 157 D CB 0.611 41.347 40.800 -0.106 0.000 1.145 157 D HN 0.256 nan 8.370 nan 0.000 0.523 158 D N 0.282 120.573 120.400 -0.183 0.000 2.277 158 D HA 0.274 4.914 4.640 -0.000 0.000 0.249 158 D C 0.130 176.238 176.300 -0.320 0.000 1.134 158 D CA -0.150 53.688 54.000 -0.270 0.000 0.863 158 D CB 0.656 41.376 40.800 -0.133 0.000 1.143 158 D HN 0.186 nan 8.370 nan 0.000 0.458 159 I N 0.874 121.096 120.570 -0.580 0.000 2.970 159 I HA 0.561 4.731 4.170 -0.000 0.000 0.310 159 I C 0.213 176.190 176.117 -0.233 0.000 1.010 159 I CA -0.833 60.152 61.300 -0.525 0.000 1.228 159 I CB 1.063 38.473 38.000 -0.983 0.000 1.433 159 I HN 0.369 nan 8.210 nan 0.000 0.573 160 A N 4.937 127.758 122.820 0.003 0.000 2.541 160 A HA 0.520 4.840 4.320 -0.000 0.000 0.285 160 A C -0.921 176.765 177.584 0.170 0.000 1.058 160 A CA -0.385 51.738 52.037 0.143 0.000 0.886 160 A CB 0.424 19.472 19.000 0.080 0.000 1.411 160 A HN 0.541 nan 8.150 nan 0.000 0.403 161 I N 2.612 123.323 120.570 0.235 0.000 2.347 161 I HA 0.321 4.491 4.170 -0.000 0.000 0.283 161 I C 0.277 176.478 176.117 0.140 0.000 1.058 161 I CA -0.019 61.383 61.300 0.169 0.000 1.202 161 I CB 1.123 39.217 38.000 0.157 0.000 1.386 161 I HN 0.826 nan 8.210 nan 0.000 0.475 162 E N 5.415 125.682 120.200 0.110 0.000 2.249 162 E HA 0.293 4.642 4.350 -0.000 0.000 0.263 162 E C -0.740 175.902 176.600 0.071 0.000 0.950 162 E CA -0.699 55.751 56.400 0.083 0.000 0.827 162 E CB 1.810 31.561 29.700 0.085 0.000 1.220 162 E HN 0.497 nan 8.360 nan 0.000 0.411 163 E N 1.801 122.036 120.200 0.058 0.000 2.167 163 E HA 0.196 4.546 4.350 -0.000 0.000 0.247 163 E C -1.121 175.525 176.600 0.078 0.000 0.961 163 E CA -0.306 56.141 56.400 0.078 0.000 0.797 163 E CB 0.501 30.257 29.700 0.093 0.000 1.182 163 E HN 0.310 nan 8.360 nan 0.000 0.437 164 S N 3.545 119.288 115.700 0.072 0.000 4.069 164 S HA 0.045 4.515 4.470 -0.000 0.000 0.192 164 S C 0.225 174.860 174.600 0.058 0.000 1.441 164 S CA -0.271 57.966 58.200 0.061 0.000 0.994 164 S CB -0.589 62.649 63.200 0.063 0.000 1.456 164 S HN 0.619 nan 8.310 nan 0.000 0.458 165 N N -0.105 118.639 118.700 0.074 0.000 2.067 165 N HA 0.249 4.989 4.740 -0.000 0.000 0.227 165 N C -0.101 175.457 175.510 0.080 0.000 1.348 165 N CA -0.342 52.749 53.050 0.068 0.000 0.879 165 N CB 0.562 39.092 38.487 0.071 0.000 1.109 165 N HN 0.275 nan 8.380 nan 0.000 0.501 166 A N 0.785 123.664 122.820 0.099 0.000 2.277 166 A HA 0.554 4.874 4.320 -0.000 0.000 0.318 166 A C -0.570 177.056 177.584 0.070 0.000 1.339 166 A CA -0.572 51.545 52.037 0.132 0.000 0.875 166 A CB 0.028 19.147 19.000 0.199 0.000 1.158 166 A HN 0.322 nan 8.150 nan 0.000 0.514 167 I N 4.541 125.152 120.570 0.069 0.000 2.280 167 I HA 0.115 4.285 4.170 -0.000 0.000 0.287 167 I C 0.539 176.698 176.117 0.070 0.000 1.121 167 I CA -0.427 60.905 61.300 0.053 0.000 1.798 167 I CB -0.276 37.751 38.000 0.045 0.000 1.489 167 I HN 0.589 nan 8.210 nan 0.000 0.805 168 I N 2.102 122.690 120.570 0.030 0.000 3.883 168 I HA 0.209 4.378 4.170 -0.000 0.000 0.326 168 I C 1.152 177.284 176.117 0.025 0.000 1.283 168 I CA 0.373 61.642 61.300 -0.052 0.000 1.161 168 I CB -1.104 36.623 38.000 -0.455 0.000 1.012 168 I HN 0.506 nan 8.210 nan 0.000 0.421 169 N N 1.645 120.399 118.700 0.091 0.000 2.843 169 N HA -0.065 4.675 4.740 -0.000 0.000 0.284 169 N C 0.010 175.606 175.510 0.144 0.000 1.274 169 N CA 0.410 53.559 53.050 0.165 0.000 1.045 169 N CB -0.333 38.236 38.487 0.136 0.000 1.370 169 N HN 0.563 nan 8.380 nan 0.000 0.525 170 D N -1.750 118.734 120.400 0.140 0.000 2.423 170 D HA 0.148 4.788 4.640 -0.000 0.000 0.208 170 D C 1.248 177.604 176.300 0.094 0.000 1.068 170 D CA 0.667 54.731 54.000 0.106 0.000 0.860 170 D CB 0.026 40.886 40.800 0.100 0.000 0.992 170 D HN 0.369 nan 8.370 nan 0.000 0.504 171 G N -0.022 108.842 108.800 0.107 0.000 2.296 171 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.188 171 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.188 171 G C 0.230 175.164 174.900 0.057 0.000 1.000 171 G CA -0.410 44.739 45.100 0.082 0.000 0.672 171 G HN 0.211 nan 8.290 nan 0.000 0.483 172 K N 0.151 120.577 120.400 0.043 0.000 2.202 172 K HA 0.421 4.741 4.320 -0.000 0.000 0.264 172 K C -0.403 176.010 176.600 -0.311 0.000 1.010 172 K CA -0.527 55.703 56.287 -0.095 0.000 0.940 172 K CB 1.009 33.441 32.500 -0.114 0.000 0.983 172 K HN 0.313 nan 8.250 nan 0.000 0.475 173 Y N 3.154 123.149 120.300 -0.508 0.000 2.320 173 Y HA 0.230 4.780 4.550 -0.000 0.000 0.334 173 Y C -0.739 174.686 175.900 -0.793 0.000 1.055 173 Y CA -0.356 57.443 58.100 -0.502 0.000 1.143 173 Y CB 0.734 39.082 38.460 -0.187 0.000 1.193 173 Y HN 0.460 nan 8.280 nan 0.000 0.477 174 H N 4.664 123.246 119.070 -0.813 0.000 2.771 174 H HA 0.390 4.946 4.556 -0.000 0.000 0.361 174 H C -1.240 173.781 175.328 -0.511 0.000 1.108 174 H CA -0.944 54.659 56.048 -0.742 0.000 1.201 174 H CB 1.996 31.443 29.762 -0.525 0.000 1.681 174 H HN 0.543 nan 8.280 nan 0.000 0.534 175 V N 3.451 123.161 119.914 -0.339 0.000 2.154 175 V HA 0.039 4.159 4.120 -0.000 0.000 0.265 175 V C 0.479 176.544 176.094 -0.048 0.000 1.293 175 V CA -0.520 61.717 62.300 -0.104 0.000 1.205 175 V CB 0.083 31.869 31.823 -0.062 0.000 1.306 175 V HN 0.437 nan 8.190 nan 0.000 0.479 176 V N 4.747 124.665 119.914 0.008 0.000 2.364 176 V HA 0.201 4.321 4.120 -0.000 0.000 0.252 176 V C 1.069 177.177 176.094 0.023 0.000 1.075 176 V CA -0.024 62.270 62.300 -0.010 0.000 1.033 176 V CB -0.576 31.254 31.823 0.013 0.000 1.116 176 V HN 0.669 nan 8.190 nan 0.000 0.488 177 R N 2.879 123.394 120.500 0.024 0.000 2.583 177 R HA 0.601 4.941 4.340 -0.000 0.000 0.268 177 R C -0.879 175.482 176.300 0.102 0.000 1.101 177 R CA -0.422 55.718 56.100 0.068 0.000 1.180 177 R CB 1.104 31.440 30.300 0.060 0.000 1.128 177 R HN 0.549 nan 8.270 nan 0.000 0.568 178 F N -0.250 119.660 119.950 -0.066 0.000 2.588 178 F HA 0.291 4.818 4.527 -0.000 0.000 0.314 178 F C -1.003 174.741 175.800 -0.094 0.000 1.134 178 F CA -0.271 57.664 58.000 -0.109 0.000 0.961 178 F CB 2.089 40.986 39.000 -0.172 0.000 1.239 178 F HN 0.429 nan 8.300 nan 0.000 0.448 179 T N 3.997 118.138 114.554 -0.688 0.000 2.908 179 T HA 0.687 5.037 4.350 -0.000 0.000 0.290 179 T C -1.115 173.239 174.700 -0.576 0.000 1.034 179 T CA -0.976 60.885 62.100 -0.399 0.000 1.010 179 T CB 2.329 71.045 68.868 -0.253 0.000 1.068 179 T HN 0.788 nan 8.240 nan 0.000 0.481 180 R N 0.838 121.233 120.500 -0.175 0.000 2.548 180 R HA 0.538 4.878 4.340 -0.000 0.000 0.280 180 R C -1.424 174.854 176.300 -0.038 0.000 1.061 180 R CA -0.564 55.480 56.100 -0.094 0.000 0.915 180 R CB 1.528 31.868 30.300 0.067 0.000 1.210 180 R HN 0.872 nan 8.270 nan 0.000 0.442 181 S N 2.654 118.322 115.700 -0.053 0.000 2.542 181 S HA 0.576 5.046 4.470 -0.000 0.000 0.245 181 S C 0.607 175.198 174.600 -0.014 0.000 1.325 181 S CA 0.102 58.287 58.200 -0.025 0.000 1.176 181 S CB 1.271 64.449 63.200 -0.036 0.000 1.045 181 S HN 1.192 nan 8.310 nan 0.000 0.481 182 G N 3.442 112.257 108.800 0.025 0.000 2.557 182 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.292 182 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.292 182 G C 0.900 175.834 174.900 0.057 0.000 1.162 182 G CA 0.295 45.413 45.100 0.030 0.000 0.964 182 G HN 1.594 nan 8.290 nan 0.000 0.541 183 G N 0.611 109.407 108.800 -0.007 0.000 2.492 183 G HA2 0.197 4.157 3.960 -0.000 0.000 0.214 183 G HA3 0.197 4.157 3.960 -0.000 0.000 0.214 183 G C 0.670 175.544 174.900 -0.042 0.000 1.147 183 G CA 0.937 46.013 45.100 -0.039 0.000 0.809 183 G HN 0.763 nan 8.290 nan 0.000 0.533 184 N N 1.595 120.211 118.700 -0.140 0.000 2.447 184 N HA 0.472 5.212 4.740 -0.000 0.000 0.263 184 N C 0.069 175.441 175.510 -0.230 0.000 1.226 184 N CA 0.562 53.398 53.050 -0.357 0.000 0.906 184 N CB 1.276 39.489 38.487 -0.457 0.000 1.060 184 N HN 0.405 nan 8.380 nan 0.000 0.468 185 A N 1.290 123.950 122.820 -0.266 0.000 2.564 185 A HA 0.884 5.204 4.320 -0.000 0.000 0.288 185 A C -0.863 176.505 177.584 -0.361 0.000 1.164 185 A CA -0.577 51.287 52.037 -0.289 0.000 0.712 185 A CB 1.423 20.351 19.000 -0.119 0.000 1.303 185 A HN 0.424 nan 8.150 nan 0.000 0.418 186 T N 0.782 114.997 114.554 -0.565 0.000 3.842 186 T HA 0.405 4.755 4.350 -0.000 0.000 0.336 186 T C -1.407 172.989 174.700 -0.507 0.000 0.900 186 T CA -0.209 61.653 62.100 -0.397 0.000 1.022 186 T CB 0.582 69.288 68.868 -0.270 0.000 1.068 186 T HN 0.646 nan 8.240 nan 0.000 0.464 187 L N 2.474 123.525 121.223 -0.286 0.000 2.375 187 L HA 0.772 5.112 4.340 -0.000 0.000 0.268 187 L C -0.282 176.539 176.870 -0.080 0.000 1.058 187 L CA -0.005 54.743 54.840 -0.153 0.000 0.803 187 L CB 1.404 43.450 42.059 -0.022 0.000 1.212 187 L HN 0.583 nan 8.230 nan 0.000 0.451 188 Q N 2.846 122.611 119.800 -0.057 0.000 3.088 188 Q HA 0.200 4.540 4.340 -0.000 0.000 0.205 188 Q C -1.913 174.026 176.000 -0.102 0.000 0.782 188 Q CA -0.260 55.512 55.803 -0.051 0.000 0.897 188 Q CB 1.334 30.055 28.738 -0.029 0.000 1.495 188 Q HN 0.441 nan 8.270 nan 0.000 0.459 189 V N 4.992 124.778 119.914 -0.214 0.000 2.359 189 V HA 0.036 4.156 4.120 -0.000 0.000 0.248 189 V C 1.274 177.098 176.094 -0.450 0.000 1.091 189 V CA 1.150 63.206 62.300 -0.407 0.000 1.103 189 V CB 0.090 31.453 31.823 -0.767 0.000 1.176 189 V HN 0.888 nan 8.190 nan 0.000 0.488 190 D N 2.698 122.957 120.400 -0.234 0.000 4.018 190 D HA -0.258 4.382 4.640 -0.000 0.000 0.207 190 D C 1.330 177.606 176.300 -0.040 0.000 1.219 190 D CA 2.199 56.102 54.000 -0.161 0.000 2.366 190 D CB -0.790 39.872 40.800 -0.230 0.000 1.202 190 D HN 0.640 nan 8.370 nan 0.000 0.414 191 S N -1.500 114.220 115.700 0.032 0.000 2.648 191 S HA 0.179 4.649 4.470 -0.000 0.000 0.270 191 S C 0.091 174.845 174.600 0.257 0.000 1.034 191 S CA 0.133 58.418 58.200 0.142 0.000 1.376 191 S CB 0.044 63.337 63.200 0.156 0.000 1.227 191 S HN 0.340 nan 8.310 nan 0.000 0.676 192 W N 4.122 125.424 121.300 0.003 0.000 1.595 192 W HA 0.359 5.019 4.660 0.000 0.000 0.396 192 W C -1.962 174.559 176.519 0.004 0.000 1.873 192 W CA -1.368 55.980 57.345 0.004 0.000 2.073 192 W CB -1.775 27.688 29.460 0.005 0.000 1.513 192 W HN 0.099 nan 8.180 nan 0.000 0.809 193 P HA 0.168 nan 4.420 nan 0.000 0.276 193 P C -0.547 176.815 177.300 0.103 0.000 1.252 193 P CA -0.278 62.904 63.100 0.136 0.000 0.802 193 P CB 0.835 32.599 31.700 0.108 0.000 1.035 194 V N 2.290 122.244 119.914 0.066 0.000 2.071 194 V HA 0.053 4.173 4.120 -0.000 0.000 0.254 194 V C 0.835 176.953 176.094 0.040 0.000 1.456 194 V CA -0.263 62.060 62.300 0.038 0.000 1.383 194 V CB -1.310 30.529 31.823 0.027 0.000 1.433 194 V HN 0.378 nan 8.190 nan 0.000 0.499 195 I N 4.541 125.139 120.570 0.046 0.000 2.581 195 I HA 0.107 4.277 4.170 -0.000 0.000 0.285 195 I C 0.726 176.867 176.117 0.039 0.000 1.129 195 I CA 0.768 62.100 61.300 0.054 0.000 1.397 195 I CB 0.225 38.265 38.000 0.066 0.000 1.399 195 I HN 0.708 nan 8.210 nan 0.000 0.537 196 E N 6.933 127.181 120.200 0.080 0.000 2.314 196 E HA 0.657 5.007 4.350 -0.000 0.000 0.272 196 E C -0.912 175.811 176.600 0.204 0.000 0.884 196 E CA -1.219 55.243 56.400 0.105 0.000 0.753 196 E CB 2.097 31.904 29.700 0.179 0.000 1.213 196 E HN 0.425 nan 8.360 nan 0.000 0.432 197 R N 1.809 122.388 120.500 0.131 0.000 2.803 197 R HA 0.459 4.799 4.340 -0.000 0.000 0.276 197 R C -1.475 174.884 176.300 0.099 0.000 0.978 197 R CA -0.703 55.508 56.100 0.184 0.000 0.939 197 R CB 1.259 31.618 30.300 0.098 0.000 1.179 197 R HN 0.690 nan 8.270 nan 0.000 0.472 198 Y N 2.015 122.316 120.300 0.002 0.000 2.558 198 Y HA 0.274 4.824 4.550 -0.000 0.000 0.316 198 Y C -2.090 173.801 175.900 -0.015 0.000 0.967 198 Y CA -2.140 55.957 58.100 -0.004 0.000 1.126 198 Y CB 0.769 39.225 38.460 -0.006 0.000 1.155 198 Y HN 0.547 nan 8.280 nan 0.000 0.628 199 P HA 0.012 nan 4.420 nan 0.000 0.253 199 P C 0.466 177.783 177.300 0.028 0.000 1.159 199 P CA 0.510 63.623 63.100 0.022 0.000 0.779 199 P CB 0.504 32.179 31.700 -0.042 0.000 0.745 232 R N 0.892 121.378 120.500 -0.023 0.000 3.146 232 R HA 0.167 4.507 4.340 -0.000 0.000 0.235 232 R C -1.141 175.140 176.300 -0.031 0.000 1.624 232 R CA -0.382 55.707 56.100 -0.019 0.000 0.995 232 R CB 0.284 30.576 30.300 -0.013 0.000 1.490 232 R HN 0.501 nan 8.270 nan 0.000 0.434 233 Q N 2.329 122.104 119.800 -0.042 0.000 2.535 233 Q HA 0.274 4.614 4.340 -0.000 0.000 0.228 233 Q C 0.191 176.162 176.000 -0.048 0.000 1.062 233 Q CA 0.038 55.803 55.803 -0.063 0.000 0.967 233 Q CB 0.769 29.451 28.738 -0.093 0.000 1.273 233 Q HN 0.514 nan 8.270 nan 0.000 0.554 234 L N 0.592 121.781 121.223 -0.056 0.000 2.357 234 L HA 0.230 4.570 4.340 -0.000 0.000 0.273 234 L C 1.761 178.616 176.870 -0.026 0.000 1.080 234 L CA -0.276 54.542 54.840 -0.036 0.000 0.803 234 L CB 0.912 42.950 42.059 -0.034 0.000 1.174 234 L HN 0.794 nan 8.230 nan 0.000 0.443 235 T N -1.095 113.454 114.554 -0.008 0.000 2.896 235 T HA 0.044 4.394 4.350 -0.000 0.000 0.263 235 T C 0.436 175.152 174.700 0.026 0.000 1.050 235 T CA 0.442 62.545 62.100 0.006 0.000 1.140 235 T CB -0.208 68.665 68.868 0.007 0.000 0.877 235 T HN 0.392 nan 8.240 nan 0.000 0.457 236 I N -0.934 119.657 120.570 0.034 0.000 2.433 236 I HA 0.639 4.809 4.170 -0.000 0.000 0.292 236 I C -0.256 175.939 176.117 0.130 0.000 1.001 236 I CA -2.902 58.443 61.300 0.074 0.000 1.119 236 I CB -0.055 37.977 38.000 0.054 0.000 1.289 236 I HN -0.133 nan 8.210 nan 0.000 0.438 237 F N 4.631 124.582 119.950 0.002 0.000 2.703 237 F HA 0.140 4.667 4.527 0.000 0.000 0.324 237 F C 0.241 176.027 175.800 -0.023 0.000 1.174 237 F CA 0.572 58.570 58.000 -0.002 0.000 1.367 237 F CB 0.066 39.065 39.000 -0.003 0.000 1.065 237 F HN 0.722 nan 8.300 nan 0.000 0.633 238 N N -0.042 118.844 118.700 0.309 0.000 2.287 238 N HA 0.274 5.014 4.740 -0.000 0.000 0.289 238 N C -0.885 174.544 175.510 -0.135 0.000 1.066 238 N CA -0.314 52.755 53.050 0.032 0.000 0.841 238 N CB 1.881 40.407 38.487 0.064 0.000 1.599 238 N HN 0.600 nan 8.380 nan 0.000 0.476 239 S N 0.732 116.310 115.700 -0.204 0.000 3.628 239 S HA -0.235 4.235 4.470 -0.000 0.000 0.373 239 S C -0.527 173.871 174.600 -0.336 0.000 0.968 239 S CA 0.191 58.256 58.200 -0.224 0.000 1.215 239 S CB -1.225 61.913 63.200 -0.103 0.000 0.912 239 S HN 0.555 nan 8.310 nan 0.000 0.495 240 Q N 0.631 120.075 119.800 -0.593 0.000 2.242 240 Q HA 0.319 4.659 4.340 -0.000 0.000 0.284 240 Q C 1.079 176.907 176.000 -0.288 0.000 1.130 240 Q CA 0.658 56.065 55.803 -0.661 0.000 0.940 240 Q CB 0.641 28.823 28.738 -0.926 0.000 1.146 240 Q HN 0.640 nan 8.270 nan 0.000 0.388 241 A N 2.931 125.829 122.820 0.131 0.000 1.989 241 A HA 0.132 4.452 4.320 -0.000 0.000 0.201 241 A C 0.609 178.512 177.584 0.532 0.000 1.720 241 A CA 0.626 52.875 52.037 0.354 0.000 0.956 241 A CB 0.540 19.634 19.000 0.158 0.000 1.094 241 A HN 0.640 nan 8.150 nan 0.000 0.561 242 T N -0.901 113.852 114.554 0.331 0.000 2.848 242 T HA 0.705 5.055 4.350 -0.000 0.000 0.285 242 T C -0.813 173.993 174.700 0.176 0.000 0.995 242 T CA -0.365 61.870 62.100 0.225 0.000 0.970 242 T CB 1.067 70.021 68.868 0.144 0.000 0.976 242 T HN 0.233 nan 8.240 nan 0.000 0.441 243 I N 4.369 125.003 120.570 0.106 0.000 2.388 243 I HA 0.313 4.483 4.170 -0.000 0.000 0.281 243 I C -0.368 175.771 176.117 0.037 0.000 1.046 243 I CA -0.987 60.337 61.300 0.039 0.000 1.187 243 I CB 0.951 38.897 38.000 -0.089 0.000 1.351 243 I HN 0.509 nan 8.210 nan 0.000 0.472 244 I N 7.471 128.059 120.570 0.031 0.000 2.257 244 I HA 0.262 4.432 4.170 -0.000 0.000 0.290 244 I C 0.446 176.573 176.117 0.015 0.000 1.137 244 I CA -0.397 60.923 61.300 0.033 0.000 1.255 244 I CB -0.008 38.013 38.000 0.035 0.000 1.485 244 I HN 0.451 nan 8.210 nan 0.000 0.534 245 I N 4.521 125.112 120.570 0.036 0.000 2.389 245 I HA 0.385 4.555 4.170 -0.000 0.000 0.295 245 I C 1.215 177.422 176.117 0.149 0.000 1.117 245 I CA 0.230 61.549 61.300 0.032 0.000 1.317 245 I CB 0.249 38.293 38.000 0.074 0.000 1.431 245 I HN 0.736 nan 8.210 nan 0.000 0.521 246 G N 3.551 112.387 108.800 0.060 0.000 3.465 246 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.219 246 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.219 246 G C 0.942 175.929 174.900 0.144 0.000 0.984 246 G CA -0.003 45.215 45.100 0.197 0.000 0.864 246 G HN 0.998 nan 8.290 nan 0.000 0.485 247 G N 0.641 109.482 108.800 0.068 0.000 2.189 247 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.267 247 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.267 247 G C 1.113 176.053 174.900 0.068 0.000 0.975 247 G CA 1.801 46.932 45.100 0.052 0.000 0.644 247 G HN 0.910 nan 8.290 nan 0.000 0.537 248 K N 0.341 120.794 120.400 0.089 0.000 2.002 248 K HA -0.055 4.265 4.320 -0.000 0.000 0.209 248 K C 2.064 178.693 176.600 0.048 0.000 1.048 248 K CA 1.596 57.929 56.287 0.076 0.000 0.930 248 K CB -0.180 32.373 32.500 0.088 0.000 0.714 248 K HN 0.536 nan 8.250 nan 0.000 0.438 249 E N -0.042 120.183 120.200 0.042 0.000 2.516 249 E HA -0.139 4.211 4.350 -0.000 0.000 0.199 249 E C 1.665 178.270 176.600 0.009 0.000 1.069 249 E CA 0.421 56.836 56.400 0.024 0.000 0.876 249 E CB 0.262 29.976 29.700 0.024 0.000 0.843 249 E HN 0.287 nan 8.360 nan 0.000 0.530 250 Q N -1.181 118.624 119.800 0.008 0.000 2.339 250 Q HA 0.106 4.445 4.340 -0.000 0.000 0.205 250 Q C 1.403 177.401 176.000 -0.004 0.000 0.925 250 Q CA 0.959 56.755 55.803 -0.012 0.000 0.898 250 Q CB 0.966 29.692 28.738 -0.020 0.000 1.013 250 Q HN 0.344 nan 8.270 nan 0.000 0.504 251 G N -0.730 108.079 108.800 0.014 0.000 2.391 251 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.204 251 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.204 251 G C -0.119 174.801 174.900 0.032 0.000 1.012 251 G CA -0.418 44.693 45.100 0.019 0.000 0.651 251 G HN 0.260 nan 8.290 nan 0.000 0.494 252 Q N 1.619 121.443 119.800 0.040 0.000 2.341 252 Q HA 0.548 4.887 4.340 -0.000 0.000 0.268 252 Q C -2.743 173.300 176.000 0.072 0.000 1.013 252 Q CA -1.859 53.977 55.803 0.056 0.000 0.798 252 Q CB 3.025 31.802 28.738 0.065 0.000 1.253 252 Q HN 0.307 nan 8.270 nan 0.000 0.457 253 P HA 0.411 nan 4.420 nan 0.000 0.287 253 P C -1.416 175.981 177.300 0.163 0.000 1.296 253 P CA -0.684 62.485 63.100 0.115 0.000 0.811 253 P CB 0.782 32.538 31.700 0.094 0.000 1.211 254 F N -0.445 119.502 119.950 -0.004 0.000 2.569 254 F HA 0.554 5.081 4.527 -0.000 0.000 0.312 254 F C -1.378 174.423 175.800 0.003 0.000 1.109 254 F CA -0.599 57.377 58.000 -0.040 0.000 0.919 254 F CB 2.114 41.027 39.000 -0.145 0.000 1.211 254 F HN 0.164 nan 8.300 nan 0.000 0.446 255 Q N 4.926 124.239 119.800 -0.811 0.000 2.695 255 Q HA 0.611 4.951 4.340 -0.000 0.000 0.246 255 Q C -0.269 175.373 176.000 -0.596 0.000 0.961 255 Q CA -0.425 55.001 55.803 -0.629 0.000 0.708 255 Q CB 1.788 30.405 28.738 -0.203 0.000 1.282 255 Q HN 1.076 nan 8.270 nan 0.000 0.482 256 G N 1.536 109.883 108.800 -0.755 0.000 3.331 256 G HA2 0.367 4.327 3.960 -0.000 0.000 0.153 256 G HA3 0.367 4.327 3.960 -0.000 0.000 0.153 256 G C -1.255 173.729 174.900 0.139 0.000 1.216 256 G CA -0.029 44.980 45.100 -0.151 0.000 1.426 256 G HN 0.452 nan 8.290 nan 0.000 0.705 257 Q N -1.414 118.679 119.800 0.489 0.000 2.919 257 Q HA 0.729 5.069 4.340 -0.000 0.000 0.323 257 Q C -1.937 174.492 176.000 0.716 0.000 0.829 257 Q CA -0.943 55.249 55.803 0.648 0.000 0.803 257 Q CB 1.447 30.446 28.738 0.434 0.000 1.423 257 Q HN 0.540 nan 8.270 nan 0.000 0.478 258 L N 0.245 121.865 121.223 0.661 0.000 2.502 258 L HA 0.901 5.241 4.340 -0.000 0.000 0.253 258 L C -1.148 176.010 176.870 0.480 0.000 1.070 258 L CA -0.537 54.600 54.840 0.495 0.000 0.871 258 L CB 2.604 44.851 42.059 0.313 0.000 1.487 258 L HN 1.044 nan 8.230 nan 0.000 0.408 259 S N -1.776 114.116 115.700 0.320 0.000 2.611 259 S HA 0.556 5.026 4.470 -0.000 0.000 0.270 259 S C 0.069 174.779 174.600 0.182 0.000 1.131 259 S CA -0.257 58.116 58.200 0.289 0.000 0.826 259 S CB 1.238 64.674 63.200 0.394 0.000 1.095 259 S HN 1.499 nan 8.310 nan 0.000 0.461 260 G N 0.260 109.162 108.800 0.169 0.000 2.321 260 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.287 260 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.287 260 G C 0.024 175.006 174.900 0.138 0.000 1.018 260 G CA 0.505 45.684 45.100 0.133 0.000 0.855 260 G HN 1.136 nan 8.290 nan 0.000 0.507 261 L N -0.591 120.713 121.223 0.135 0.000 2.506 261 L HA 0.465 4.805 4.340 -0.000 0.000 0.281 261 L C 0.424 177.422 176.870 0.213 0.000 1.228 261 L CA -0.411 54.510 54.840 0.136 0.000 0.850 261 L CB 0.441 42.544 42.059 0.074 0.000 1.110 261 L HN 0.355 nan 8.230 nan 0.000 0.496 262 Y N 4.750 125.090 120.300 0.068 0.000 2.470 262 Y HA 0.437 4.987 4.550 -0.000 0.000 0.341 262 Y C -1.841 174.162 175.900 0.172 0.000 1.021 262 Y CA -1.238 56.920 58.100 0.096 0.000 1.025 262 Y CB 1.249 39.756 38.460 0.079 0.000 1.266 262 Y HN 0.452 nan 8.280 nan 0.000 0.448 263 Y N 7.014 127.137 120.300 -0.294 0.000 2.278 263 Y HA 0.292 4.842 4.550 -0.000 0.000 0.328 263 Y C -0.380 175.381 175.900 -0.230 0.000 1.166 263 Y CA -1.586 56.316 58.100 -0.331 0.000 1.211 263 Y CB 0.314 38.674 38.460 -0.165 0.000 1.167 263 Y HN 0.884 nan 8.280 nan 0.000 0.434 264 N N 3.518 122.036 118.700 -0.303 0.000 2.693 264 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 264 N C 0.686 176.153 175.510 -0.071 0.000 1.119 264 N CA 1.917 54.825 53.050 -0.237 0.000 0.717 264 N CB -1.175 37.083 38.487 -0.383 0.000 1.071 264 N HN 1.605 nan 8.380 nan 0.000 0.555 265 G N -0.254 108.598 108.800 0.086 0.000 2.353 265 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.294 265 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.294 265 G C -0.314 174.654 174.900 0.113 0.000 1.077 265 G CA 0.305 45.544 45.100 0.233 0.000 1.098 265 G HN 0.442 nan 8.290 nan 0.000 0.511 266 L N 0.258 121.544 121.223 0.105 0.000 2.617 266 L HA 0.294 4.633 4.340 -0.000 0.000 0.259 266 L C 0.382 177.302 176.870 0.084 0.000 0.995 266 L CA -0.732 54.143 54.840 0.059 0.000 0.899 266 L CB 1.245 43.291 42.059 -0.022 0.000 1.181 266 L HN 0.104 nan 8.230 nan 0.000 0.437 267 K N 2.198 122.664 120.400 0.111 0.000 2.245 267 K HA 0.086 4.406 4.320 -0.000 0.000 0.281 267 K C 1.021 177.663 176.600 0.070 0.000 1.079 267 K CA -0.109 56.247 56.287 0.116 0.000 1.000 267 K CB 1.325 33.892 32.500 0.110 0.000 1.038 267 K HN 0.398 nan 8.250 nan 0.000 0.430 268 V N 3.561 123.505 119.914 0.050 0.000 2.515 268 V HA -0.205 3.915 4.120 -0.000 0.000 0.250 268 V C 1.646 177.737 176.094 -0.005 0.000 1.058 268 V CA 1.644 63.946 62.300 0.004 0.000 1.064 268 V CB -0.178 31.627 31.823 -0.029 0.000 0.675 268 V HN 0.640 nan 8.190 nan 0.000 0.461 269 L N -1.062 120.159 121.223 -0.003 0.000 2.858 269 L HA 0.263 4.603 4.340 -0.000 0.000 0.251 269 L C 1.653 178.551 176.870 0.047 0.000 1.149 269 L CA 0.003 54.799 54.840 -0.074 0.000 0.955 269 L CB 0.011 42.010 42.059 -0.099 0.000 1.289 269 L HN 0.205 nan 8.230 nan 0.000 0.542 270 N N 0.420 119.168 118.700 0.081 0.000 2.207 270 N HA -0.011 4.729 4.740 -0.000 0.000 0.182 270 N C 1.744 177.306 175.510 0.088 0.000 1.020 270 N CA 1.290 54.401 53.050 0.102 0.000 0.858 270 N CB 0.016 38.555 38.487 0.087 0.000 0.991 270 N HN 0.202 nan 8.380 nan 0.000 0.427 271 M N -0.402 119.238 119.600 0.067 0.000 2.476 271 M HA 0.101 4.581 4.480 -0.000 0.000 0.262 271 M C 1.729 178.054 176.300 0.041 0.000 1.079 271 M CA 0.506 55.842 55.300 0.061 0.000 1.104 271 M CB 0.044 32.691 32.600 0.078 0.000 1.409 271 M HN 0.142 nan 8.290 nan 0.000 0.467 272 A N 0.280 123.102 122.820 0.002 0.000 2.014 272 A HA 0.152 4.472 4.320 -0.000 0.000 0.218 272 A C 2.243 179.888 177.584 0.102 0.000 1.163 272 A CA 1.612 53.613 52.037 -0.061 0.000 0.652 272 A CB -0.409 18.370 19.000 -0.368 0.000 0.808 272 A HN 0.469 nan 8.150 nan 0.000 0.449 273 A N -0.668 122.275 122.820 0.205 0.000 2.115 273 A HA 0.180 4.500 4.320 -0.000 0.000 0.211 273 A C 1.626 179.279 177.584 0.116 0.000 1.169 273 A CA 0.688 52.873 52.037 0.247 0.000 0.787 273 A CB -0.120 19.055 19.000 0.293 0.000 0.858 273 A HN 0.504 nan 8.150 nan 0.000 0.474 274 E N 0.068 120.320 120.200 0.086 0.000 2.338 274 E HA -0.111 4.239 4.350 -0.000 0.000 0.197 274 E C -0.229 176.393 176.600 0.036 0.000 1.007 274 E CA 0.193 56.625 56.400 0.052 0.000 0.849 274 E CB -0.076 29.651 29.700 0.046 0.000 0.774 274 E HN 0.449 nan 8.360 nan 0.000 0.506 275 N N 2.551 121.272 118.700 0.036 0.000 2.738 275 N HA -0.138 4.602 4.740 -0.000 0.000 0.249 275 N C -0.896 174.610 175.510 -0.007 0.000 1.047 275 N CA 1.152 54.209 53.050 0.011 0.000 0.707 275 N CB -1.004 37.490 38.487 0.011 0.000 0.937 275 N HN 0.459 nan 8.380 nan 0.000 0.545 276 D N -1.239 119.156 120.400 -0.010 0.000 2.363 276 D HA 0.263 4.903 4.640 -0.000 0.000 0.240 276 D C 1.437 177.703 176.300 -0.057 0.000 1.236 276 D CA 0.275 54.264 54.000 -0.019 0.000 0.927 276 D CB 0.415 41.215 40.800 0.001 0.000 1.150 276 D HN 0.130 nan 8.370 nan 0.000 0.458 277 A N 1.993 124.780 122.820 -0.053 0.000 1.881 277 A HA -0.324 3.996 4.320 -0.000 0.000 0.219 277 A C 1.804 179.302 177.584 -0.143 0.000 1.215 277 A CA 2.147 54.140 52.037 -0.074 0.000 0.648 277 A CB -0.845 18.125 19.000 -0.050 0.000 0.832 277 A HN 0.771 nan 8.150 nan 0.000 0.455 278 N N -0.422 118.140 118.700 -0.229 0.000 2.463 278 N HA 0.062 4.802 4.740 -0.000 0.000 0.181 278 N C 0.475 175.609 175.510 -0.627 0.000 1.078 278 N CA 0.253 53.044 53.050 -0.431 0.000 0.902 278 N CB -0.042 38.117 38.487 -0.546 0.000 0.970 278 N HN 0.363 nan 8.380 nan 0.000 0.451 279 I N 1.545 121.839 120.570 -0.460 0.000 2.938 279 I HA 0.074 4.244 4.170 -0.000 0.000 0.285 279 I C 0.541 176.530 176.117 -0.212 0.000 1.182 279 I CA -0.082 61.013 61.300 -0.343 0.000 1.388 279 I CB 0.600 38.500 38.000 -0.166 0.000 1.390 279 I HN -0.039 nan 8.210 nan 0.000 0.600 280 A N 7.497 130.228 122.820 -0.148 0.000 2.651 280 A HA 0.593 4.912 4.320 -0.000 0.000 0.290 280 A C -0.618 176.939 177.584 -0.045 0.000 1.185 280 A CA -0.457 51.529 52.037 -0.085 0.000 0.746 280 A CB 0.287 19.240 19.000 -0.078 0.000 1.213 280 A HN 0.533 nan 8.150 nan 0.000 0.429 281 I N 2.804 123.355 120.570 -0.033 0.000 2.307 281 I HA 0.324 4.494 4.170 -0.000 0.000 0.287 281 I C -0.642 175.469 176.117 -0.012 0.000 1.054 281 I CA -0.545 60.744 61.300 -0.018 0.000 1.218 281 I CB 1.381 39.378 38.000 -0.004 0.000 1.398 281 I HN 0.237 nan 8.210 nan 0.000 0.475 282 V N 5.948 125.859 119.914 -0.004 0.000 2.327 282 V HA 0.781 4.900 4.120 -0.000 0.000 0.272 282 V C 0.331 176.429 176.094 0.006 0.000 1.019 282 V CA -0.252 62.047 62.300 -0.001 0.000 0.814 282 V CB 1.026 32.851 31.823 0.003 0.000 1.040 282 V HN 0.944 nan 8.190 nan 0.000 0.440 283 G N 2.507 111.301 108.800 -0.010 0.000 2.495 283 G HA2 0.238 4.198 3.960 -0.000 0.000 0.294 283 G HA3 0.238 4.198 3.960 -0.000 0.000 0.294 283 G C -1.280 173.599 174.900 -0.034 0.000 1.397 283 G CA -0.761 44.333 45.100 -0.009 0.000 0.790 283 G HN 0.273 nan 8.290 nan 0.000 0.486 284 N N 0.295 118.980 118.700 -0.024 0.000 2.549 284 N HA 0.417 5.157 4.740 -0.000 0.000 0.267 284 N C -0.535 174.922 175.510 -0.089 0.000 1.182 284 N CA 0.260 53.288 53.050 -0.037 0.000 1.019 284 N CB 0.302 38.784 38.487 -0.009 0.000 1.380 284 N HN 0.393 nan 8.380 nan 0.000 0.505 285 V N 2.636 122.477 119.914 -0.121 0.000 3.188 285 V HA 0.587 4.706 4.120 -0.000 0.000 0.305 285 V C -0.043 175.976 176.094 -0.125 0.000 1.232 285 V CA -0.930 61.253 62.300 -0.196 0.000 1.043 285 V CB 2.653 34.276 31.823 -0.333 0.000 1.068 285 V HN 0.418 nan 8.190 nan 0.000 0.439 286 R N 0.792 121.211 120.500 -0.135 0.000 2.947 286 R HA 0.701 5.041 4.340 -0.000 0.000 0.253 286 R C -1.783 174.313 176.300 -0.341 0.000 1.208 286 R CA -0.820 55.179 56.100 -0.169 0.000 1.012 286 R CB 2.217 32.440 30.300 -0.128 0.000 1.267 286 R HN 0.592 nan 8.270 nan 0.000 0.473 287 L N 1.314 122.298 121.223 -0.399 0.000 2.406 287 L HA 0.408 4.748 4.340 -0.000 0.000 0.272 287 L C -0.438 176.266 176.870 -0.276 0.000 0.980 287 L CA -0.762 53.747 54.840 -0.552 0.000 0.831 287 L CB 1.920 43.562 42.059 -0.695 0.000 1.253 287 L HN 0.273 nan 8.230 nan 0.000 0.406 288 V N 0.000 119.792 119.914 -0.204 0.000 2.409 288 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 288 V CA 0.000 62.221 62.300 -0.132 0.000 1.235 288 V CB 0.000 31.753 31.823 -0.117 0.000 1.184 288 V HN 0.000 nan 8.190 nan 0.000 0.556