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 1c4r_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 0.000 175.094 175.328 -0.390 0.000 0.993 82 H CA 0.000 55.488 56.048 -0.933 0.000 1.023 82 H CB 0.000 29.502 29.762 -0.433 0.000 1.292 83 A N 1.612 124.329 122.820 -0.172 0.000 2.527 83 A HA 0.904 5.224 4.320 -0.000 0.000 0.293 83 A C 0.518 178.130 177.584 0.046 0.000 1.117 83 A CA -0.098 51.921 52.037 -0.029 0.000 0.723 83 A CB 1.629 20.593 19.000 -0.061 0.000 1.313 83 A HN 1.309 nan 8.150 nan 0.000 0.411 84 G N -0.698 108.128 108.800 0.043 0.000 2.587 84 G HA2 0.166 4.126 3.960 -0.000 0.000 0.212 84 G HA3 0.166 4.126 3.960 -0.000 0.000 0.212 84 G C -0.076 174.867 174.900 0.072 0.000 1.327 84 G CA -0.237 44.900 45.100 0.062 0.000 0.898 84 G HN 1.492 nan 8.290 nan 0.000 0.551 85 T N 1.537 116.145 114.554 0.089 0.000 2.870 85 T HA 0.553 4.902 4.350 -0.000 0.000 0.300 85 T C 0.352 175.131 174.700 0.130 0.000 0.989 85 T CA 1.098 63.244 62.100 0.076 0.000 1.139 85 T CB 0.839 69.779 68.868 0.120 0.000 0.920 85 T HN 0.814 nan 8.240 nan 0.000 0.537 86 T N 2.949 117.517 114.554 0.024 0.000 2.900 86 T HA 0.584 4.934 4.350 -0.000 0.000 0.295 86 T C -1.355 173.293 174.700 -0.086 0.000 1.044 86 T CA -0.505 61.661 62.100 0.110 0.000 0.995 86 T CB 0.966 69.892 68.868 0.096 0.000 1.072 86 T HN 0.457 nan 8.240 nan 0.000 0.473 87 Y N 0.788 121.197 120.300 0.183 0.000 2.477 87 Y HA 0.638 5.187 4.550 -0.000 0.000 0.347 87 Y C -0.217 175.796 175.900 0.189 0.000 0.981 87 Y CA -1.118 57.046 58.100 0.106 0.000 1.033 87 Y CB 1.517 40.015 38.460 0.064 0.000 1.245 87 Y HN 0.453 nan 8.280 nan 0.000 0.455 88 I N 3.392 124.067 120.570 0.174 0.000 2.441 88 I HA 0.354 4.523 4.170 -0.000 0.000 0.295 88 I C -1.312 174.847 176.117 0.070 0.000 0.994 88 I CA -0.734 60.691 61.300 0.210 0.000 1.144 88 I CB 1.291 39.343 38.000 0.087 0.000 1.314 88 I HN 0.378 nan 8.210 nan 0.000 0.445 89 F N 3.713 123.776 119.950 0.188 0.000 2.402 89 F HA 0.441 4.968 4.527 -0.000 0.000 0.355 89 F C 0.432 176.263 175.800 0.052 0.000 1.123 89 F CA -0.316 57.773 58.000 0.149 0.000 1.021 89 F CB 1.624 40.770 39.000 0.244 0.000 1.160 89 F HN 0.344 nan 8.300 nan 0.000 0.451 90 S N 1.212 116.992 115.700 0.133 0.000 2.798 90 S HA 0.479 4.949 4.470 -0.000 0.000 0.312 90 S C -0.791 173.846 174.600 0.062 0.000 1.122 90 S CA -1.445 56.799 58.200 0.073 0.000 0.949 90 S CB 0.869 64.091 63.200 0.038 0.000 1.235 90 S HN 0.419 nan 8.310 nan 0.000 0.552 91 K N 1.105 121.526 120.400 0.035 0.000 2.464 91 K HA 0.134 4.454 4.320 -0.000 0.000 0.265 91 K C 1.112 177.734 176.600 0.035 0.000 1.055 91 K CA 0.965 57.269 56.287 0.028 0.000 1.161 91 K CB -0.771 31.739 32.500 0.017 0.000 0.804 91 K HN 1.028 nan 8.250 nan 0.000 0.486 92 G N 1.614 110.437 108.800 0.038 0.000 2.213 92 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.236 92 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.236 92 G C 0.526 175.465 174.900 0.064 0.000 0.991 92 G CA -0.070 45.055 45.100 0.041 0.000 0.629 92 G HN 1.337 nan 8.290 nan 0.000 0.517 93 G N -1.115 107.743 108.800 0.096 0.000 2.819 93 G HA2 0.499 4.459 3.960 -0.000 0.000 0.682 93 G HA3 0.499 4.459 3.960 -0.000 0.000 0.682 93 G C 0.694 175.698 174.900 0.173 0.000 1.481 93 G CA 0.711 45.907 45.100 0.161 0.000 0.904 93 G HN 2.288 nan 8.290 nan 0.000 0.563 94 G N -1.210 107.769 108.800 0.297 0.000 2.870 94 G HA2 0.907 4.867 3.960 -0.000 0.000 0.299 94 G HA3 0.907 4.867 3.960 -0.000 0.000 0.299 94 G C -0.827 174.255 174.900 0.304 0.000 1.324 94 G CA 0.673 45.901 45.100 0.213 0.000 0.808 94 G HN 1.418 nan 8.290 nan 0.000 0.535 95 Q N -0.716 119.208 119.800 0.208 0.000 2.443 95 Q HA 0.435 4.775 4.340 -0.000 0.000 0.258 95 Q C -1.958 174.095 176.000 0.089 0.000 0.967 95 Q CA -0.552 55.374 55.803 0.206 0.000 0.951 95 Q CB 1.860 30.665 28.738 0.112 0.000 1.459 95 Q HN 0.550 nan 8.270 nan 0.000 0.415 96 I N 2.497 123.123 120.570 0.094 0.000 2.441 96 I HA 0.535 4.705 4.170 -0.000 0.000 0.295 96 I C -0.593 175.517 176.117 -0.012 0.000 0.994 96 I CA -0.730 60.557 61.300 -0.022 0.000 1.144 96 I CB 2.338 40.276 38.000 -0.103 0.000 1.314 96 I HN 0.549 nan 8.210 nan 0.000 0.445 97 T N 4.759 119.293 114.554 -0.033 0.000 2.937 97 T HA 0.284 4.634 4.350 -0.000 0.000 0.297 97 T C -1.160 173.501 174.700 -0.066 0.000 0.991 97 T CA -0.456 61.620 62.100 -0.041 0.000 0.990 97 T CB 0.846 69.687 68.868 -0.046 0.000 0.991 97 T HN 0.309 nan 8.240 nan 0.000 0.440 98 Y N 3.165 123.354 120.300 -0.186 0.000 2.330 98 Y HA 0.588 5.137 4.550 -0.000 0.000 0.336 98 Y C -0.044 175.679 175.900 -0.295 0.000 1.036 98 Y CA -0.786 57.147 58.100 -0.277 0.000 1.125 98 Y CB 0.838 39.052 38.460 -0.410 0.000 1.194 98 Y HN 0.392 nan 8.280 nan 0.000 0.469 99 K N 7.145 126.947 120.400 -0.996 0.000 2.450 99 K HA 0.175 4.495 4.320 -0.000 0.000 0.257 99 K C -1.114 175.058 176.600 -0.714 0.000 0.953 99 K CA -0.602 55.329 56.287 -0.594 0.000 0.844 99 K CB 0.766 33.086 32.500 -0.301 0.000 1.103 99 K HN 0.696 nan 8.250 nan 0.000 0.429 100 W N 4.842 125.949 121.300 -0.322 0.000 2.181 100 W HA 0.092 4.752 4.660 -0.000 0.000 0.335 100 W C -1.908 174.541 176.519 -0.117 0.000 1.310 100 W CA -1.503 55.760 57.345 -0.136 0.000 1.226 100 W CB 0.404 29.881 29.460 0.029 0.000 1.155 100 W HN 0.383 nan 8.180 nan 0.000 0.565 101 P HA 0.052 nan 4.420 nan 0.000 0.271 101 P C -1.920 175.435 177.300 0.091 0.000 1.216 101 P CA -1.006 62.136 63.100 0.069 0.000 0.776 101 P CB 0.199 31.934 31.700 0.058 0.000 0.881 102 P HA -0.202 nan 4.420 nan 0.000 0.220 102 P C 0.542 177.856 177.300 0.024 0.000 1.144 102 P CA 1.632 64.752 63.100 0.033 0.000 0.808 102 P CB -0.118 31.593 31.700 0.018 0.000 0.763 103 N N -2.374 116.345 118.700 0.030 0.000 2.181 103 N HA 0.029 4.769 4.740 -0.000 0.000 0.207 103 N C 0.037 175.555 175.510 0.012 0.000 1.182 103 N CA 0.111 53.170 53.050 0.014 0.000 0.893 103 N CB 0.228 38.723 38.487 0.014 0.000 1.032 103 N HN 0.064 nan 8.380 nan 0.000 0.513 104 D N -0.275 120.152 120.400 0.045 0.000 2.388 104 D HA 0.122 4.762 4.640 -0.000 0.000 0.221 104 D C -0.311 175.945 176.300 -0.073 0.000 1.133 104 D CA -0.104 53.923 54.000 0.045 0.000 0.831 104 D CB 0.431 41.331 40.800 0.166 0.000 0.962 104 D HN 0.010 nan 8.370 nan 0.000 0.502 105 R N 2.513 122.939 120.500 -0.124 0.000 2.421 105 R HA 0.161 4.501 4.340 -0.000 0.000 0.305 105 R C -2.144 173.892 176.300 -0.440 0.000 1.039 105 R CA -0.886 55.001 56.100 -0.355 0.000 1.003 105 R CB 0.180 30.353 30.300 -0.212 0.000 0.959 105 R HN 0.132 nan 8.270 nan 0.000 0.427 106 P HA 0.171 nan 4.420 nan 0.000 0.282 106 P C -0.894 176.145 177.300 -0.436 0.000 1.259 106 P CA -0.513 62.293 63.100 -0.489 0.000 0.826 106 P CB 1.595 32.981 31.700 -0.523 0.000 1.064 107 S N 0.114 115.649 115.700 -0.274 0.000 2.500 107 S HA 0.711 5.181 4.470 -0.000 0.000 0.301 107 S C -0.328 174.186 174.600 -0.144 0.000 1.092 107 S CA -0.369 57.709 58.200 -0.203 0.000 1.030 107 S CB 1.478 64.603 63.200 -0.125 0.000 1.031 107 S HN 0.720 nan 8.310 nan 0.000 0.483 108 T N -0.317 114.187 114.554 -0.083 0.000 2.900 108 T HA 0.534 4.884 4.350 -0.000 0.000 0.303 108 T C 0.066 174.773 174.700 0.012 0.000 1.142 108 T CA -0.988 61.086 62.100 -0.044 0.000 1.007 108 T CB 1.642 70.477 68.868 -0.055 0.000 1.156 108 T HN 0.445 nan 8.240 nan 0.000 0.490 109 R N 0.159 120.653 120.500 -0.010 0.000 2.334 109 R HA 0.563 4.903 4.340 -0.000 0.000 0.212 109 R C 0.502 176.784 176.300 -0.030 0.000 0.897 109 R CA 0.148 56.243 56.100 -0.007 0.000 1.056 109 R CB 0.713 31.005 30.300 -0.013 0.000 1.046 109 R HN 0.818 nan 8.270 nan 0.000 0.513 110 A N 0.926 123.721 122.820 -0.040 0.000 2.486 110 A HA 0.523 4.843 4.320 -0.000 0.000 0.300 110 A C -1.647 175.898 177.584 -0.065 0.000 1.048 110 A CA -0.826 51.168 52.037 -0.073 0.000 0.696 110 A CB 1.682 20.637 19.000 -0.075 0.000 1.278 110 A HN -0.045 nan 8.150 nan 0.000 0.405 111 D N 1.155 121.508 120.400 -0.080 0.000 2.819 111 D HA 0.508 5.148 4.640 -0.000 0.000 0.232 111 D C -0.940 175.333 176.300 -0.045 0.000 1.160 111 D CA -0.447 53.532 54.000 -0.034 0.000 0.858 111 D CB 1.906 42.806 40.800 0.167 0.000 1.610 111 D HN 0.453 nan 8.370 nan 0.000 0.481 112 R N 1.379 121.871 120.500 -0.014 0.000 2.502 112 R HA 0.536 4.876 4.340 -0.000 0.000 0.300 112 R C -1.141 175.309 176.300 0.249 0.000 0.984 112 R CA -0.937 55.210 56.100 0.079 0.000 0.882 112 R CB 2.287 32.646 30.300 0.099 0.000 1.180 112 R HN 0.354 nan 8.270 nan 0.000 0.444 113 L N 1.741 123.184 121.223 0.368 0.000 2.381 113 L HA 0.801 5.141 4.340 -0.000 0.000 0.274 113 L C -1.324 175.730 176.870 0.306 0.000 0.988 113 L CA -0.272 54.827 54.840 0.432 0.000 0.824 113 L CB 1.981 44.330 42.059 0.484 0.000 1.263 113 L HN 0.806 nan 8.230 nan 0.000 0.410 114 A N 5.615 128.605 122.820 0.284 0.000 2.498 114 A HA 0.917 5.237 4.320 -0.000 0.000 0.298 114 A C -1.436 176.242 177.584 0.157 0.000 1.075 114 A CA -0.524 51.614 52.037 0.170 0.000 0.714 114 A CB 1.447 20.503 19.000 0.094 0.000 1.299 114 A HN 0.886 nan 8.150 nan 0.000 0.407 115 I N 0.215 120.849 120.570 0.106 0.000 2.828 115 I HA 0.612 4.782 4.170 -0.000 0.000 0.295 115 I C -0.155 176.019 176.117 0.094 0.000 1.459 115 I CA -0.444 60.919 61.300 0.105 0.000 1.015 115 I CB 2.112 40.152 38.000 0.067 0.000 1.345 115 I HN 0.918 nan 8.210 nan 0.000 0.449 116 G N 4.905 113.752 108.800 0.079 0.000 2.371 116 G HA2 0.706 4.666 3.960 -0.000 0.000 0.326 116 G HA3 0.706 4.666 3.960 -0.000 0.000 0.326 116 G C -1.422 173.491 174.900 0.021 0.000 1.127 116 G CA -0.418 44.612 45.100 -0.116 0.000 0.885 116 G HN 0.647 nan 8.290 nan 0.000 0.477 117 F N 0.067 119.869 119.950 -0.248 0.000 2.668 117 F HA 0.813 5.340 4.527 -0.000 0.000 0.309 117 F C -0.501 175.407 175.800 0.179 0.000 1.117 117 F CA -1.392 56.638 58.000 0.051 0.000 0.951 117 F CB 1.857 40.854 39.000 -0.005 0.000 1.323 117 F HN 0.650 nan 8.300 nan 0.000 0.451 118 S N 0.985 116.974 115.700 0.482 0.000 2.575 118 S HA 0.819 5.289 4.470 -0.000 0.000 0.278 118 S C -1.015 173.868 174.600 0.471 0.000 1.139 118 S CA -0.211 58.204 58.200 0.359 0.000 0.954 118 S CB 1.616 65.038 63.200 0.370 0.000 1.054 118 S HN 1.363 nan 8.310 nan 0.000 0.483 119 T N 0.084 114.862 114.554 0.373 0.000 2.775 119 T HA 0.467 4.817 4.350 -0.000 0.000 0.320 119 T C -0.321 174.487 174.700 0.180 0.000 1.597 119 T CA 0.074 62.304 62.100 0.217 0.000 1.022 119 T CB 1.068 70.076 68.868 0.233 0.000 1.485 119 T HN 1.692 nan 8.240 nan 0.000 0.494 120 V N 0.010 119.973 119.914 0.082 0.000 3.346 120 V HA 0.493 4.613 4.120 -0.000 0.000 0.309 120 V C 0.549 176.676 176.094 0.055 0.000 1.457 120 V CA -0.136 62.212 62.300 0.081 0.000 1.069 120 V CB -0.259 31.596 31.823 0.054 0.000 0.944 120 V HN 0.773 nan 8.190 nan 0.000 0.449 121 Q N 0.935 120.756 119.800 0.035 0.000 2.454 121 Q HA 0.315 4.654 4.340 -0.000 0.000 0.247 121 Q C 0.618 176.645 176.000 0.045 0.000 1.028 121 Q CA 0.072 55.888 55.803 0.021 0.000 0.910 121 Q CB 0.967 29.700 28.738 -0.009 0.000 1.276 121 Q HN 0.238 nan 8.270 nan 0.000 0.489 122 K N 0.854 121.268 120.400 0.022 0.000 2.354 122 K HA 0.106 4.426 4.320 -0.000 0.000 0.194 122 K C -0.468 176.133 176.600 0.002 0.000 1.038 122 K CA 0.565 56.856 56.287 0.006 0.000 1.052 122 K CB 0.867 33.354 32.500 -0.021 0.000 0.861 122 K HN 0.529 nan 8.250 nan 0.000 0.535 123 E N 0.046 120.261 120.200 0.025 0.000 2.311 123 E HA 0.520 4.870 4.350 -0.000 0.000 0.281 123 E C -1.393 175.240 176.600 0.056 0.000 0.905 123 E CA -0.523 55.904 56.400 0.045 0.000 0.778 123 E CB 2.154 31.878 29.700 0.041 0.000 1.240 123 E HN 0.094 nan 8.360 nan 0.000 0.410 124 A N 1.307 124.172 122.820 0.075 0.000 2.567 124 A HA 0.614 4.934 4.320 -0.000 0.000 0.291 124 A C -1.646 175.990 177.584 0.088 0.000 1.048 124 A CA -0.572 51.523 52.037 0.097 0.000 0.661 124 A CB 1.408 20.518 19.000 0.184 0.000 1.288 124 A HN 0.208 nan 8.150 nan 0.000 0.424 125 V N 1.876 121.828 119.914 0.064 0.000 2.487 125 V HA 0.422 4.542 4.120 -0.000 0.000 0.298 125 V C 0.587 176.635 176.094 -0.077 0.000 1.028 125 V CA -0.379 61.934 62.300 0.022 0.000 0.860 125 V CB 1.476 33.308 31.823 0.016 0.000 0.991 125 V HN 0.823 nan 8.190 nan 0.000 0.427 126 L N 4.464 125.566 121.223 -0.202 0.000 2.388 126 L HA 0.431 4.771 4.340 -0.000 0.000 0.209 126 L C 0.021 176.699 176.870 -0.320 0.000 1.061 126 L CA 0.607 55.201 54.840 -0.410 0.000 0.834 126 L CB 0.112 41.783 42.059 -0.646 0.000 1.029 126 L HN 0.400 nan 8.230 nan 0.000 0.473 127 V N 0.241 120.019 119.914 -0.226 0.000 2.888 127 V HA 0.499 4.619 4.120 -0.000 0.000 0.309 127 V C -0.929 175.090 176.094 -0.125 0.000 1.114 127 V CA -0.674 61.522 62.300 -0.173 0.000 0.940 127 V CB 2.807 34.526 31.823 -0.174 0.000 1.021 127 V HN 0.261 nan 8.190 nan 0.000 0.426 128 R N 2.357 122.804 120.500 -0.088 0.000 2.533 128 R HA 0.782 5.122 4.340 -0.000 0.000 0.288 128 R C -2.218 174.083 176.300 0.001 0.000 1.039 128 R CA -0.386 55.697 56.100 -0.028 0.000 0.909 128 R CB 2.276 32.574 30.300 -0.005 0.000 1.195 128 R HN 0.540 nan 8.270 nan 0.000 0.438 129 V N 4.066 124.019 119.914 0.064 0.000 2.398 129 V HA 0.412 4.532 4.120 -0.000 0.000 0.286 129 V C -0.534 175.779 176.094 0.365 0.000 1.026 129 V CA -0.577 61.818 62.300 0.157 0.000 0.868 129 V CB 1.676 33.566 31.823 0.111 0.000 0.982 129 V HN 0.761 nan 8.190 nan 0.000 0.443 130 D N 2.204 122.782 120.400 0.297 0.000 2.481 130 D HA 0.443 5.082 4.640 -0.000 0.000 0.244 130 D C -0.048 176.394 176.300 0.237 0.000 1.057 130 D CA -0.126 54.054 54.000 0.300 0.000 0.848 130 D CB 2.381 43.284 40.800 0.171 0.000 1.388 130 D HN 0.633 nan 8.370 nan 0.000 0.475 131 S N 0.402 116.265 115.700 0.272 0.000 2.624 131 S HA 0.367 4.837 4.470 -0.000 0.000 0.263 131 S C 0.659 175.314 174.600 0.091 0.000 1.287 131 S CA -0.772 57.504 58.200 0.128 0.000 0.990 131 S CB 0.832 64.153 63.200 0.201 0.000 0.950 131 S HN 0.438 nan 8.310 nan 0.000 0.561 132 S N 1.130 116.854 115.700 0.041 0.000 2.596 132 S HA 0.285 4.755 4.470 -0.000 0.000 0.260 132 S C 0.238 174.865 174.600 0.046 0.000 1.336 132 S CA -0.770 57.454 58.200 0.040 0.000 0.993 132 S CB -0.227 62.983 63.200 0.016 0.000 0.923 132 S HN 0.750 nan 8.310 nan 0.000 0.567 133 S N 0.884 116.606 115.700 0.037 0.000 2.558 133 S HA 0.446 4.916 4.470 -0.000 0.000 0.293 133 S C 1.509 176.128 174.600 0.032 0.000 1.292 133 S CA 0.472 58.691 58.200 0.033 0.000 1.063 133 S CB -0.070 63.144 63.200 0.023 0.000 0.831 133 S HN 1.643 nan 8.310 nan 0.000 0.499 134 G N 1.827 110.648 108.800 0.034 0.000 2.308 134 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.221 134 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.221 134 G C -0.075 174.851 174.900 0.044 0.000 1.032 134 G CA -0.202 44.918 45.100 0.033 0.000 0.623 134 G HN 0.576 nan 8.290 nan 0.000 0.506 135 L N 0.634 121.892 121.223 0.059 0.000 2.375 135 L HA 0.682 5.021 4.340 -0.000 0.000 0.268 135 L C 1.666 178.601 176.870 0.108 0.000 1.058 135 L CA 0.009 54.898 54.840 0.080 0.000 0.803 135 L CB 1.591 43.705 42.059 0.091 0.000 1.212 135 L HN 0.161 nan 8.230 nan 0.000 0.451 136 G N -0.968 107.906 108.800 0.123 0.000 3.126 136 G HA2 0.031 3.991 3.960 -0.000 0.000 0.224 136 G HA3 0.031 3.991 3.960 -0.000 0.000 0.224 136 G C 0.007 175.055 174.900 0.247 0.000 1.142 136 G CA -0.260 44.935 45.100 0.160 0.000 0.759 136 G HN 0.572 nan 8.290 nan 0.000 0.550 137 D N 0.758 121.296 120.400 0.229 0.000 2.493 137 D HA 0.374 5.014 4.640 -0.000 0.000 0.240 137 D C -0.126 176.387 176.300 0.355 0.000 1.142 137 D CA 0.616 54.756 54.000 0.234 0.000 0.872 137 D CB 0.408 41.455 40.800 0.411 0.000 1.173 137 D HN 0.522 nan 8.370 nan 0.000 0.467 138 Y N -0.076 120.166 120.300 -0.097 0.000 2.713 138 Y HA 0.599 5.149 4.550 -0.000 0.000 0.335 138 Y C -2.300 173.400 175.900 -0.334 0.000 1.222 138 Y CA -1.611 56.438 58.100 -0.085 0.000 1.061 138 Y CB 0.966 39.442 38.460 0.026 0.000 1.314 138 Y HN 0.211 nan 8.280 nan 0.000 0.453 139 L N 2.143 123.304 121.223 -0.103 0.000 2.505 139 L HA 0.656 4.996 4.340 -0.000 0.000 0.266 139 L C -1.633 175.261 176.870 0.040 0.000 0.954 139 L CA -0.622 54.108 54.840 -0.182 0.000 0.852 139 L CB 2.182 44.095 42.059 -0.244 0.000 1.282 139 L HN 0.916 nan 8.230 nan 0.000 0.403 140 E N 4.322 124.525 120.200 0.005 0.000 2.246 140 E HA 0.458 4.808 4.350 -0.000 0.000 0.266 140 E C -1.956 174.477 176.600 -0.278 0.000 0.880 140 E CA -0.888 55.493 56.400 -0.032 0.000 0.762 140 E CB 1.987 31.773 29.700 0.143 0.000 1.180 140 E HN 0.718 nan 8.360 nan 0.000 0.416 141 L N 6.588 127.641 121.223 -0.284 0.000 2.275 141 L HA 0.441 4.781 4.340 -0.000 0.000 0.288 141 L C -0.909 175.789 176.870 -0.286 0.000 1.046 141 L CA 0.093 54.707 54.840 -0.377 0.000 0.805 141 L CB 0.638 42.520 42.059 -0.296 0.000 1.193 141 L HN 0.656 nan 8.230 nan 0.000 0.426 142 H N 3.374 122.345 119.070 -0.165 0.000 2.990 142 H HA 0.558 5.114 4.556 0.000 0.000 0.336 142 H C -1.379 173.884 175.328 -0.109 0.000 1.306 142 H CA -1.243 54.727 56.048 -0.131 0.000 1.118 142 H CB 1.308 31.025 29.762 -0.076 0.000 1.856 142 H HN 0.496 nan 8.280 nan 0.000 0.538 143 I N 1.572 122.240 120.570 0.164 0.000 2.433 143 I HA 0.182 4.352 4.170 -0.000 0.000 0.292 143 I C -0.950 175.258 176.117 0.151 0.000 1.001 143 I CA -0.417 60.955 61.300 0.119 0.000 1.119 143 I CB 1.574 39.607 38.000 0.054 0.000 1.289 143 I HN 0.570 nan 8.210 nan 0.000 0.438 144 H N 5.911 125.001 119.070 0.033 0.000 2.823 144 H HA 0.289 4.844 4.556 -0.000 0.000 0.332 144 H C -0.822 174.511 175.328 0.008 0.000 0.980 144 H CA -0.505 55.529 56.048 -0.024 0.000 1.286 144 H CB 0.957 30.668 29.762 -0.085 0.000 1.541 144 H HN 0.570 nan 8.280 nan 0.000 0.521 145 Q N 3.770 123.345 119.800 -0.375 0.000 2.468 145 Q HA -0.231 4.109 4.340 -0.000 0.000 0.289 145 Q C 0.965 176.912 176.000 -0.087 0.000 1.299 145 Q CA 0.968 56.606 55.803 -0.275 0.000 0.838 145 Q CB -1.738 26.779 28.738 -0.368 0.000 1.195 145 Q HN 1.285 nan 8.270 nan 0.000 0.456 146 G N -0.478 108.310 108.800 -0.020 0.000 2.184 146 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.264 146 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.264 146 G C -0.003 174.941 174.900 0.073 0.000 0.975 146 G CA 0.914 46.040 45.100 0.043 0.000 0.642 146 G HN 0.362 nan 8.290 nan 0.000 0.536 147 K N -0.036 120.405 120.400 0.067 0.000 2.185 147 K HA 0.705 5.025 4.320 -0.000 0.000 0.269 147 K C -0.090 176.571 176.600 0.102 0.000 0.987 147 K CA -1.002 55.344 56.287 0.098 0.000 0.865 147 K CB 2.413 34.974 32.500 0.101 0.000 1.090 147 K HN 0.186 nan 8.250 nan 0.000 0.450 148 I N 1.485 122.099 120.570 0.073 0.000 2.581 148 I HA 0.474 4.644 4.170 -0.000 0.000 0.288 148 I C 0.148 176.276 176.117 0.019 0.000 1.047 148 I CA 0.743 62.041 61.300 -0.005 0.000 1.374 148 I CB 0.918 38.870 38.000 -0.081 0.000 1.423 148 I HN 0.761 nan 8.210 nan 0.000 0.549 149 G N 5.146 113.917 108.800 -0.048 0.000 2.559 149 G HA2 0.593 4.553 3.960 -0.000 0.000 0.291 149 G HA3 0.593 4.553 3.960 -0.000 0.000 0.291 149 G C -2.123 172.561 174.900 -0.360 0.000 1.424 149 G CA -0.566 44.484 45.100 -0.083 0.000 0.786 149 G HN 0.533 nan 8.290 nan 0.000 0.485 150 V N 0.228 119.962 119.914 -0.300 0.000 2.709 150 V HA 0.707 4.827 4.120 -0.000 0.000 0.308 150 V C -0.337 175.585 176.094 -0.287 0.000 1.062 150 V CA -0.848 61.172 62.300 -0.468 0.000 0.901 150 V CB 1.965 33.414 31.823 -0.623 0.000 1.003 150 V HN 0.858 nan 8.190 nan 0.000 0.425 151 K N 4.302 124.546 120.400 -0.260 0.000 2.397 151 K HA 0.772 5.092 4.320 -0.000 0.000 0.253 151 K C -1.550 174.959 176.600 -0.152 0.000 0.932 151 K CA -0.474 55.746 56.287 -0.111 0.000 0.795 151 K CB 1.816 34.388 32.500 0.121 0.000 1.159 151 K HN 0.597 nan 8.250 nan 0.000 0.424 152 F N 0.612 120.329 119.950 -0.388 0.000 2.643 152 F HA 0.608 5.135 4.527 0.000 0.000 0.314 152 F C -1.403 173.969 175.800 -0.713 0.000 1.096 152 F CA -1.027 56.548 58.000 -0.708 0.000 0.953 152 F CB 1.589 40.280 39.000 -0.515 0.000 1.345 152 F HN 0.385 nan 8.300 nan 0.000 0.468 153 N N 0.817 119.139 118.700 -0.630 0.000 2.425 153 N HA 0.423 5.163 4.740 -0.000 0.000 0.289 153 N C -1.221 174.168 175.510 -0.201 0.000 1.074 153 N CA -0.449 52.374 53.050 -0.379 0.000 0.905 153 N CB 2.503 40.768 38.487 -0.370 0.000 1.586 153 N HN 0.952 nan 8.380 nan 0.000 0.490 154 V N 1.001 120.899 119.914 -0.028 0.000 2.915 154 V HA 0.669 4.788 4.120 -0.000 0.000 0.364 154 V C 1.011 177.130 176.094 0.041 0.000 1.354 154 V CA 0.475 62.784 62.300 0.015 0.000 1.213 154 V CB 0.036 31.892 31.823 0.055 0.000 1.268 154 V HN 0.872 nan 8.190 nan 0.000 0.557 155 G N 0.291 109.106 108.800 0.025 0.000 2.699 155 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.198 155 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.198 155 G C 0.454 175.364 174.900 0.018 0.000 1.033 155 G CA 0.359 45.478 45.100 0.033 0.000 0.728 155 G HN 0.577 nan 8.290 nan 0.000 0.484 156 T N 1.246 115.802 114.554 0.004 0.000 3.685 156 T HA 0.458 4.808 4.350 -0.000 0.000 0.215 156 T C 0.115 174.801 174.700 -0.023 0.000 0.797 156 T CA 0.450 62.546 62.100 -0.007 0.000 1.962 156 T CB 0.106 68.966 68.868 -0.012 0.000 2.541 156 T HN 0.226 nan 8.240 nan 0.000 0.359 157 D N 1.429 121.801 120.400 -0.046 0.000 2.332 157 D HA 0.384 5.024 4.640 -0.000 0.000 0.252 157 D C -0.866 175.357 176.300 -0.128 0.000 1.050 157 D CA -0.393 53.569 54.000 -0.064 0.000 0.970 157 D CB 0.833 41.596 40.800 -0.061 0.000 1.141 157 D HN 0.252 nan 8.370 nan 0.000 0.485 158 D N 0.327 120.653 120.400 -0.123 0.000 2.414 158 D HA 0.236 4.876 4.640 -0.000 0.000 0.242 158 D C -0.101 176.016 176.300 -0.305 0.000 1.129 158 D CA 0.298 54.175 54.000 -0.204 0.000 0.885 158 D CB 0.750 41.501 40.800 -0.081 0.000 1.198 158 D HN 0.152 nan 8.370 nan 0.000 0.437 159 I N 1.466 121.689 120.570 -0.579 0.000 2.433 159 I HA 0.547 4.717 4.170 -0.000 0.000 0.292 159 I C -0.302 175.473 176.117 -0.570 0.000 1.001 159 I CA -0.827 60.075 61.300 -0.663 0.000 1.119 159 I CB 1.758 39.087 38.000 -1.118 0.000 1.289 159 I HN 0.302 nan 8.210 nan 0.000 0.438 160 A N 7.617 130.271 122.820 -0.276 0.000 2.371 160 A HA 0.849 5.169 4.320 -0.000 0.000 0.311 160 A C -1.122 176.439 177.584 -0.038 0.000 1.068 160 A CA -0.517 51.441 52.037 -0.130 0.000 0.744 160 A CB 1.655 20.620 19.000 -0.059 0.000 1.239 160 A HN 0.738 nan 8.150 nan 0.000 0.435 161 I N 1.539 122.123 120.570 0.024 0.000 2.569 161 I HA 0.584 4.754 4.170 -0.000 0.000 0.290 161 I C -0.883 175.278 176.117 0.074 0.000 1.088 161 I CA -0.238 61.108 61.300 0.076 0.000 1.047 161 I CB 1.769 39.864 38.000 0.157 0.000 1.237 161 I HN 0.938 nan 8.210 nan 0.000 0.421 162 E N 5.578 125.826 120.200 0.080 0.000 2.383 162 E HA 0.298 4.648 4.350 -0.000 0.000 0.275 162 E C -1.607 175.053 176.600 0.101 0.000 0.918 162 E CA -0.714 55.738 56.400 0.086 0.000 0.764 162 E CB 1.932 31.693 29.700 0.101 0.000 1.252 162 E HN 0.463 nan 8.360 nan 0.000 0.449 163 E N 2.054 122.322 120.200 0.113 0.000 1.936 163 E HA 0.227 4.577 4.350 -0.000 0.000 0.267 163 E C -0.709 175.982 176.600 0.152 0.000 1.076 163 E CA 0.076 56.569 56.400 0.155 0.000 0.870 163 E CB 0.631 30.447 29.700 0.193 0.000 1.093 163 E HN 0.503 nan 8.360 nan 0.000 0.411 164 S N 3.936 119.706 115.700 0.117 0.000 2.371 164 S HA -0.061 4.409 4.470 -0.000 0.000 0.221 164 S C 1.195 175.834 174.600 0.065 0.000 1.036 164 S CA 0.437 58.690 58.200 0.088 0.000 0.965 164 S CB -0.085 63.156 63.200 0.068 0.000 0.845 164 S HN 0.616 nan 8.310 nan 0.000 0.475 165 N N 2.102 120.831 118.700 0.048 0.000 2.659 165 N HA -0.008 4.732 4.740 -0.000 0.000 0.194 165 N C 0.500 175.974 175.510 -0.061 0.000 1.140 165 N CA 0.793 53.838 53.050 -0.008 0.000 0.936 165 N CB -0.227 38.245 38.487 -0.027 0.000 0.970 165 N HN 0.407 nan 8.380 nan 0.000 0.449 166 A N 0.514 123.332 122.820 -0.004 0.000 3.423 166 A HA 0.867 5.186 4.320 -0.000 0.000 0.226 166 A C -0.892 176.740 177.584 0.080 0.000 1.055 166 A CA -0.613 51.388 52.037 -0.059 0.000 0.786 166 A CB 1.116 19.955 19.000 -0.269 0.000 1.400 166 A HN 0.107 nan 8.150 nan 0.000 0.673 167 I N -2.369 118.300 120.570 0.166 0.000 2.746 167 I HA 0.391 4.561 4.170 -0.000 0.000 0.290 167 I C -1.010 175.225 176.117 0.197 0.000 1.600 167 I CA -0.637 60.761 61.300 0.162 0.000 1.019 167 I CB 1.869 39.928 38.000 0.098 0.000 1.426 167 I HN 0.544 nan 8.210 nan 0.000 0.460 168 I N -0.364 120.286 120.570 0.133 0.000 3.966 168 I HA 0.376 4.546 4.170 -0.000 0.000 0.324 168 I C 0.865 177.152 176.117 0.283 0.000 1.517 168 I CA 0.221 61.518 61.300 -0.005 0.000 1.117 168 I CB -0.067 37.891 38.000 -0.071 0.000 1.190 168 I HN 0.725 nan 8.210 nan 0.000 0.466 169 N N 1.982 120.821 118.700 0.230 0.000 2.459 169 N HA -0.174 4.566 4.740 -0.000 0.000 0.181 169 N C 0.790 176.419 175.510 0.199 0.000 1.046 169 N CA 0.858 54.033 53.050 0.209 0.000 0.904 169 N CB 0.108 38.675 38.487 0.134 0.000 0.964 169 N HN 0.615 nan 8.380 nan 0.000 0.444 170 D N -0.554 119.980 120.400 0.225 0.000 2.370 170 D HA 0.056 4.696 4.640 -0.000 0.000 0.256 170 D C 1.236 177.625 176.300 0.148 0.000 1.197 170 D CA 0.579 54.686 54.000 0.178 0.000 0.922 170 D CB -0.633 40.279 40.800 0.188 0.000 0.911 170 D HN 0.206 nan 8.370 nan 0.000 0.517 171 G N -0.639 108.255 108.800 0.157 0.000 2.228 171 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.270 171 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.270 171 G C 0.435 175.390 174.900 0.092 0.000 0.976 171 G CA 0.789 45.962 45.100 0.121 0.000 0.636 171 G HN 0.488 nan 8.290 nan 0.000 0.542 172 K N -0.872 119.557 120.400 0.048 0.000 2.090 172 K HA 0.619 4.939 4.320 -0.000 0.000 0.249 172 K C 0.031 176.477 176.600 -0.257 0.000 0.995 172 K CA -1.071 55.172 56.287 -0.073 0.000 0.914 172 K CB 0.372 32.799 32.500 -0.122 0.000 1.057 172 K HN 0.196 nan 8.250 nan 0.000 0.462 173 Y N 2.103 122.185 120.300 -0.364 0.000 2.425 173 Y HA 0.120 4.670 4.550 -0.000 0.000 0.331 173 Y C -0.321 175.107 175.900 -0.785 0.000 1.157 173 Y CA 0.633 58.466 58.100 -0.445 0.000 1.372 173 Y CB 0.379 38.682 38.460 -0.260 0.000 1.253 173 Y HN 0.472 nan 8.280 nan 0.000 0.536 174 H N 3.594 121.917 119.070 -1.245 0.000 2.980 174 H HA 0.554 5.110 4.556 -0.000 0.000 0.367 174 H C -1.337 173.248 175.328 -1.238 0.000 1.206 174 H CA -0.793 54.587 56.048 -1.114 0.000 1.126 174 H CB 1.774 30.919 29.762 -1.027 0.000 1.838 174 H HN 0.462 nan 8.280 nan 0.000 0.552 175 V N 1.946 121.527 119.914 -0.556 0.000 2.604 175 V HA 0.317 4.436 4.120 -0.000 0.000 0.305 175 V C -0.293 175.726 176.094 -0.125 0.000 1.043 175 V CA -0.775 61.328 62.300 -0.328 0.000 0.888 175 V CB 2.340 34.026 31.823 -0.228 0.000 0.995 175 V HN 0.439 nan 8.190 nan 0.000 0.429 176 V N 6.443 126.372 119.914 0.024 0.000 2.540 176 V HA 0.668 4.788 4.120 -0.000 0.000 0.302 176 V C -0.523 175.597 176.094 0.042 0.000 1.035 176 V CA -0.513 61.810 62.300 0.040 0.000 0.873 176 V CB 1.896 33.775 31.823 0.095 0.000 0.992 176 V HN 0.938 nan 8.190 nan 0.000 0.428 177 R N 5.580 126.101 120.500 0.036 0.000 2.480 177 R HA 0.557 4.896 4.340 -0.000 0.000 0.306 177 R C -1.610 174.760 176.300 0.116 0.000 0.958 177 R CA -0.410 55.727 56.100 0.061 0.000 0.861 177 R CB 2.420 32.720 30.300 -0.000 0.000 1.171 177 R HN 0.679 nan 8.270 nan 0.000 0.445 178 F N 0.833 120.780 119.950 -0.004 0.000 2.563 178 F HA 0.595 5.122 4.527 -0.000 0.000 0.316 178 F C -0.970 174.821 175.800 -0.015 0.000 1.076 178 F CA -0.314 57.679 58.000 -0.011 0.000 0.921 178 F CB 2.561 41.556 39.000 -0.008 0.000 1.209 178 F HN 0.289 nan 8.300 nan 0.000 0.462 179 T N 5.345 119.168 114.554 -1.219 0.000 2.933 179 T HA 0.456 4.806 4.350 -0.000 0.000 0.305 179 T C -1.655 172.310 174.700 -1.225 0.000 1.092 179 T CA -0.717 60.834 62.100 -0.914 0.000 1.008 179 T CB 1.705 70.316 68.868 -0.429 0.000 1.102 179 T HN 0.768 nan 8.240 nan 0.000 0.469 180 R N 1.615 121.655 120.500 -0.768 0.000 2.575 180 R HA 0.662 5.002 4.340 -0.000 0.000 0.293 180 R C -1.428 174.688 176.300 -0.307 0.000 0.983 180 R CA -0.497 55.268 56.100 -0.558 0.000 0.887 180 R CB 1.553 31.532 30.300 -0.535 0.000 1.184 180 R HN 0.581 nan 8.270 nan 0.000 0.445 181 S N 3.135 118.696 115.700 -0.231 0.000 2.718 181 S HA 0.508 4.978 4.470 -0.000 0.000 0.294 181 S C 0.419 174.966 174.600 -0.089 0.000 1.157 181 S CA 0.495 58.616 58.200 -0.131 0.000 1.121 181 S CB 0.842 63.981 63.200 -0.102 0.000 1.015 181 S HN 1.061 nan 8.310 nan 0.000 0.479 182 G N 4.468 113.228 108.800 -0.067 0.000 2.629 182 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.313 182 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.313 182 G C 0.921 175.820 174.900 -0.002 0.000 1.217 182 G CA 0.320 45.408 45.100 -0.020 0.000 0.994 182 G HN 1.535 nan 8.290 nan 0.000 0.549 183 G N 0.601 109.429 108.800 0.048 0.000 3.042 183 G HA2 0.309 4.269 3.960 -0.000 0.000 0.212 183 G HA3 0.309 4.269 3.960 -0.000 0.000 0.212 183 G C 0.501 175.455 174.900 0.089 0.000 1.166 183 G CA 0.674 45.850 45.100 0.126 0.000 0.767 183 G HN 0.620 nan 8.290 nan 0.000 0.546 184 N N 1.113 119.794 118.700 -0.032 0.000 2.514 184 N HA 0.567 5.307 4.740 -0.000 0.000 0.277 184 N C -0.255 175.132 175.510 -0.205 0.000 1.126 184 N CA 0.064 52.998 53.050 -0.193 0.000 0.978 184 N CB 1.827 40.160 38.487 -0.257 0.000 1.106 184 N HN 0.176 nan 8.380 nan 0.000 0.461 185 A N 0.892 123.573 122.820 -0.233 0.000 2.454 185 A HA 0.783 5.103 4.320 -0.000 0.000 0.302 185 A C -0.476 176.959 177.584 -0.248 0.000 1.079 185 A CA -0.519 51.408 52.037 -0.183 0.000 0.731 185 A CB 1.538 20.683 19.000 0.241 0.000 1.299 185 A HN 0.458 nan 8.150 nan 0.000 0.413 186 T N 0.895 115.260 114.554 -0.315 0.000 2.916 186 T HA 0.605 4.955 4.350 -0.000 0.000 0.298 186 T C -1.682 172.952 174.700 -0.109 0.000 1.031 186 T CA -0.199 61.785 62.100 -0.194 0.000 0.993 186 T CB 1.171 69.911 68.868 -0.213 0.000 1.045 186 T HN 0.748 nan 8.240 nan 0.000 0.454 187 L N 3.240 124.474 121.223 0.019 0.000 2.431 187 L HA 0.722 5.062 4.340 -0.000 0.000 0.266 187 L C -1.190 175.713 176.870 0.056 0.000 0.978 187 L CA -0.227 54.668 54.840 0.092 0.000 0.822 187 L CB 2.136 44.288 42.059 0.155 0.000 1.310 187 L HN 0.699 nan 8.230 nan 0.000 0.409 188 Q N 3.442 123.263 119.800 0.035 0.000 2.281 188 Q HA 0.619 4.959 4.340 -0.000 0.000 0.263 188 Q C -2.157 173.794 176.000 -0.081 0.000 0.989 188 Q CA -0.656 55.146 55.803 -0.002 0.000 0.852 188 Q CB 2.285 31.017 28.738 -0.009 0.000 1.337 188 Q HN 0.515 nan 8.270 nan 0.000 0.418 189 V N 4.801 124.602 119.914 -0.187 0.000 2.427 189 V HA 0.260 4.380 4.120 -0.000 0.000 0.286 189 V C 0.292 175.950 176.094 -0.727 0.000 1.034 189 V CA -0.019 62.005 62.300 -0.461 0.000 0.893 189 V CB 1.351 32.754 31.823 -0.701 0.000 0.982 189 V HN 1.065 nan 8.190 nan 0.000 0.452 190 D N 3.459 123.528 120.400 -0.551 0.000 3.899 190 D HA -0.270 4.370 4.640 -0.000 0.000 0.146 190 D C 1.149 177.290 176.300 -0.266 0.000 0.820 190 D CA 2.017 55.758 54.000 -0.433 0.000 1.056 190 D CB -0.712 39.749 40.800 -0.566 0.000 0.474 190 D HN 0.633 nan 8.370 nan 0.000 0.457 191 S N -0.475 115.114 115.700 -0.186 0.000 2.749 191 S HA 0.132 4.602 4.470 -0.000 0.000 0.246 191 S C -0.297 174.437 174.600 0.223 0.000 1.023 191 S CA -0.643 57.579 58.200 0.037 0.000 1.012 191 S CB 0.230 63.484 63.200 0.090 0.000 0.942 191 S HN 0.224 nan 8.310 nan 0.000 0.531 192 W N 3.864 125.181 121.300 0.027 0.000 2.089 192 W HA 0.274 4.934 4.660 -0.000 0.000 0.355 192 W C -2.420 174.113 176.519 0.023 0.000 1.305 192 W CA -2.706 54.653 57.345 0.024 0.000 1.281 192 W CB -0.966 28.507 29.460 0.022 0.000 1.183 192 W HN 0.029 nan 8.180 nan 0.000 0.604 193 P HA 0.070 nan 4.420 nan 0.000 0.271 193 P C -0.279 177.102 177.300 0.135 0.000 1.216 193 P CA -0.144 63.046 63.100 0.150 0.000 0.776 193 P CB 0.701 32.465 31.700 0.107 0.000 0.881 194 V N 4.229 124.199 119.914 0.092 0.000 2.720 194 V HA -0.075 4.045 4.120 -0.000 0.000 0.307 194 V C 1.064 177.205 176.094 0.079 0.000 1.071 194 V CA 0.674 63.017 62.300 0.071 0.000 1.199 194 V CB -0.556 31.295 31.823 0.046 0.000 0.900 194 V HN 0.347 nan 8.190 nan 0.000 0.494 195 I N 4.634 125.249 120.570 0.074 0.000 2.359 195 I HA 0.429 4.599 4.170 -0.000 0.000 0.294 195 I C 0.155 176.302 176.117 0.050 0.000 0.987 195 I CA -0.255 61.091 61.300 0.076 0.000 1.225 195 I CB 1.202 39.255 38.000 0.088 0.000 1.366 195 I HN 0.666 nan 8.210 nan 0.000 0.466 196 E N 6.319 126.559 120.200 0.066 0.000 2.222 196 E HA 0.535 4.885 4.350 -0.000 0.000 0.267 196 E C -0.835 175.772 176.600 0.012 0.000 0.884 196 E CA -0.970 55.448 56.400 0.031 0.000 0.764 196 E CB 2.957 32.786 29.700 0.217 0.000 1.169 196 E HN 0.402 nan 8.360 nan 0.000 0.413 197 R N 3.011 123.398 120.500 -0.187 0.000 2.483 197 R HA 0.313 4.653 4.340 -0.000 0.000 0.303 197 R C -1.700 174.411 176.300 -0.315 0.000 0.987 197 R CA -0.580 55.461 56.100 -0.099 0.000 0.881 197 R CB 0.865 31.150 30.300 -0.026 0.000 1.177 197 R HN 0.515 nan 8.270 nan 0.000 0.451 198 Y N 4.608 124.927 120.300 0.032 0.000 2.328 198 Y HA 0.384 4.934 4.550 -0.000 0.000 0.333 198 Y C -1.560 174.354 175.900 0.024 0.000 0.958 198 Y CA -1.912 56.205 58.100 0.027 0.000 1.167 198 Y CB 1.343 39.813 38.460 0.016 0.000 1.151 198 Y HN 0.487 nan 8.280 nan 0.000 0.470 199 P HA 0.590 nan 4.420 nan 0.000 0.278 199 P C -0.771 176.580 177.300 0.085 0.000 1.266 199 P CA -0.467 62.682 63.100 0.082 0.000 0.807 199 P CB 1.662 33.391 31.700 0.047 0.000 1.094 232 R N 0.459 120.972 120.500 0.022 0.000 2.438 232 R HA 0.413 4.753 4.340 -0.000 0.000 0.287 232 R C -0.453 175.862 176.300 0.025 0.000 1.077 232 R CA -0.171 55.943 56.100 0.022 0.000 1.034 232 R CB 0.753 31.063 30.300 0.017 0.000 0.993 232 R HN 0.380 nan 8.270 nan 0.000 0.459 233 Q N 2.631 122.449 119.800 0.030 0.000 2.377 233 Q HA 0.355 4.695 4.340 -0.000 0.000 0.271 233 Q C -0.277 175.744 176.000 0.034 0.000 1.077 233 Q CA -0.797 55.027 55.803 0.035 0.000 0.820 233 Q CB 2.437 31.203 28.738 0.047 0.000 1.347 233 Q HN 0.456 nan 8.270 nan 0.000 0.444 234 L N 0.340 121.585 121.223 0.037 0.000 2.453 234 L HA 0.269 4.609 4.340 -0.000 0.000 0.261 234 L C 1.169 178.066 176.870 0.045 0.000 1.179 234 L CA 0.152 55.014 54.840 0.037 0.000 0.813 234 L CB 0.506 42.588 42.059 0.039 0.000 1.110 234 L HN 0.691 nan 8.230 nan 0.000 0.466 235 T N 0.937 115.514 114.554 0.039 0.000 2.966 235 T HA 0.365 4.715 4.350 -0.000 0.000 0.254 235 T C 0.424 175.148 174.700 0.039 0.000 0.961 235 T CA -0.148 61.972 62.100 0.033 0.000 0.915 235 T CB 0.253 69.133 68.868 0.021 0.000 1.186 235 T HN 0.229 nan 8.240 nan 0.000 0.505 236 I N 2.363 122.966 120.570 0.055 0.000 2.331 236 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 236 I C -0.772 175.442 176.117 0.162 0.000 0.998 236 I CA -0.880 60.467 61.300 0.078 0.000 1.267 236 I CB 0.998 39.025 38.000 0.046 0.000 1.386 236 I HN 0.093 nan 8.210 nan 0.000 0.476 237 F N 7.170 127.103 119.950 -0.028 0.000 2.377 237 F HA 0.376 4.903 4.527 -0.000 0.000 0.360 237 F C -0.006 175.775 175.800 -0.031 0.000 1.147 237 F CA -1.400 56.590 58.000 -0.017 0.000 1.170 237 F CB -0.452 38.539 39.000 -0.015 0.000 1.339 237 F HN 0.418 nan 8.300 nan 0.000 0.552 238 N N 2.797 121.633 118.700 0.227 0.000 2.513 238 N HA 0.084 4.823 4.740 -0.000 0.000 0.268 238 N C 0.264 175.702 175.510 -0.120 0.000 1.180 238 N CA 0.266 53.324 53.050 0.014 0.000 0.948 238 N CB 0.753 39.270 38.487 0.051 0.000 1.083 238 N HN 0.563 nan 8.380 nan 0.000 0.455 239 S N 0.563 116.155 115.700 -0.180 0.000 3.292 239 S HA -0.248 4.222 4.470 -0.000 0.000 0.360 239 S C -0.458 173.967 174.600 -0.291 0.000 0.930 239 S CA 0.164 58.239 58.200 -0.209 0.000 1.317 239 S CB -1.138 62.006 63.200 -0.094 0.000 0.920 239 S HN 0.517 nan 8.310 nan 0.000 0.540 240 Q N 1.105 120.573 119.800 -0.552 0.000 2.274 240 Q HA 0.398 4.738 4.340 -0.000 0.000 0.280 240 Q C 1.160 176.988 176.000 -0.286 0.000 1.047 240 Q CA 0.570 56.009 55.803 -0.606 0.000 0.907 240 Q CB 0.777 28.916 28.738 -0.999 0.000 1.171 240 Q HN 0.645 nan 8.270 nan 0.000 0.381 241 A N 2.778 125.649 122.820 0.084 0.000 1.984 241 A HA 0.137 4.456 4.320 -0.000 0.000 0.203 241 A C 0.647 178.482 177.584 0.418 0.000 1.292 241 A CA 0.986 53.178 52.037 0.258 0.000 0.782 241 A CB 0.603 19.674 19.000 0.118 0.000 0.924 241 A HN 0.703 nan 8.150 nan 0.000 0.475 242 T N -2.254 112.508 114.554 0.347 0.000 2.900 242 T HA 0.691 5.040 4.350 -0.000 0.000 0.303 242 T C -1.039 173.763 174.700 0.171 0.000 1.142 242 T CA -0.486 61.722 62.100 0.180 0.000 1.007 242 T CB 1.375 70.286 68.868 0.071 0.000 1.156 242 T HN 0.188 nan 8.240 nan 0.000 0.490 243 I N 2.501 123.085 120.570 0.023 0.000 2.420 243 I HA 0.424 4.594 4.170 -0.000 0.000 0.282 243 I C -0.716 175.378 176.117 -0.039 0.000 1.019 243 I CA -0.871 60.406 61.300 -0.040 0.000 1.130 243 I CB 1.350 39.270 38.000 -0.134 0.000 1.262 243 I HN 0.552 nan 8.210 nan 0.000 0.454 244 I N 7.104 127.655 120.570 -0.031 0.000 2.339 244 I HA 0.426 4.596 4.170 -0.000 0.000 0.290 244 I C -0.322 175.766 176.117 -0.048 0.000 0.994 244 I CA -0.468 60.816 61.300 -0.026 0.000 1.191 244 I CB 1.569 39.563 38.000 -0.010 0.000 1.343 244 I HN 0.407 nan 8.210 nan 0.000 0.458 245 I N 5.367 125.917 120.570 -0.034 0.000 2.404 245 I HA 0.575 4.745 4.170 -0.000 0.000 0.293 245 I C 0.888 176.982 176.117 -0.038 0.000 0.992 245 I CA -0.026 61.231 61.300 -0.072 0.000 1.149 245 I CB 1.678 39.657 38.000 -0.035 0.000 1.315 245 I HN 0.854 nan 8.210 nan 0.000 0.446 246 G N 3.334 111.998 108.800 -0.227 0.000 2.336 246 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.194 246 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.194 246 G C 1.038 175.920 174.900 -0.031 0.000 0.999 246 G CA -0.149 44.835 45.100 -0.192 0.000 0.669 246 G HN 1.359 nan 8.290 nan 0.000 0.482 247 G N 0.492 109.271 108.800 -0.034 0.000 2.205 247 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.269 247 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.269 247 G C 1.146 176.063 174.900 0.028 0.000 0.977 247 G CA 1.865 46.964 45.100 -0.001 0.000 0.652 247 G HN 1.062 nan 8.290 nan 0.000 0.539 248 K N 0.208 120.640 120.400 0.054 0.000 2.032 248 K HA -0.094 4.226 4.320 -0.000 0.000 0.209 248 K C 2.178 178.795 176.600 0.028 0.000 1.048 248 K CA 1.776 58.096 56.287 0.055 0.000 0.927 248 K CB -0.209 32.337 32.500 0.078 0.000 0.712 248 K HN 0.502 nan 8.250 nan 0.000 0.441 249 E N -0.104 120.108 120.200 0.019 0.000 2.265 249 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 249 E C 1.192 177.786 176.600 -0.010 0.000 0.996 249 E CA 0.975 57.377 56.400 0.004 0.000 0.832 249 E CB 0.263 29.964 29.700 0.002 0.000 0.756 249 E HN 0.264 nan 8.360 nan 0.000 0.491 250 Q N -1.218 118.574 119.800 -0.014 0.000 2.320 250 Q HA 0.197 4.537 4.340 -0.000 0.000 0.201 250 Q C 0.797 176.783 176.000 -0.024 0.000 0.910 250 Q CA 0.616 56.401 55.803 -0.031 0.000 0.946 250 Q CB 1.085 29.800 28.738 -0.038 0.000 1.062 250 Q HN 0.354 nan 8.270 nan 0.000 0.503 251 G N 0.577 109.372 108.800 -0.008 0.000 2.143 251 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.248 251 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.248 251 G C -0.037 174.865 174.900 0.002 0.000 0.991 251 G CA 0.127 45.225 45.100 -0.004 0.000 0.689 251 G HN 0.382 nan 8.290 nan 0.000 0.522 252 Q N -0.170 119.636 119.800 0.011 0.000 3.429 252 Q HA 0.272 4.611 4.340 -0.000 0.000 0.237 252 Q C -2.816 173.212 176.000 0.045 0.000 0.932 252 Q CA -1.817 53.999 55.803 0.021 0.000 0.731 252 Q CB 2.165 30.911 28.738 0.013 0.000 1.383 252 Q HN 0.249 nan 8.270 nan 0.000 0.446 253 P HA -0.101 nan 4.420 nan 0.000 0.264 253 P C -0.873 176.487 177.300 0.100 0.000 1.183 253 P CA 0.122 63.273 63.100 0.084 0.000 0.763 253 P CB 0.298 32.043 31.700 0.075 0.000 0.807 254 F N 3.336 123.258 119.950 -0.047 0.000 2.385 254 F HA 0.323 4.850 4.527 -0.000 0.000 0.336 254 F C 0.077 175.893 175.800 0.027 0.000 1.100 254 F CA -0.039 57.909 58.000 -0.086 0.000 1.116 254 F CB 1.034 39.858 39.000 -0.294 0.000 1.166 254 F HN 0.247 nan 8.300 nan 0.000 0.511 255 Q N 4.464 123.765 119.800 -0.831 0.000 2.309 255 Q HA 0.615 4.955 4.340 -0.000 0.000 0.270 255 Q C -0.256 175.263 176.000 -0.802 0.000 1.023 255 Q CA -0.528 54.979 55.803 -0.493 0.000 0.758 255 Q CB 1.908 30.508 28.738 -0.229 0.000 1.247 255 Q HN 1.090 nan 8.270 nan 0.000 0.455 256 G N 1.967 110.567 108.800 -0.334 0.000 2.347 256 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.224 256 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.224 256 G C -1.643 173.515 174.900 0.431 0.000 1.318 256 G CA -0.820 44.257 45.100 -0.039 0.000 1.016 256 G HN 0.426 nan 8.290 nan 0.000 0.469 257 Q N -0.367 119.792 119.800 0.599 0.000 2.365 257 Q HA 0.753 5.093 4.340 -0.000 0.000 0.269 257 Q C -0.936 175.520 176.000 0.760 0.000 1.061 257 Q CA -0.594 55.590 55.803 0.635 0.000 0.816 257 Q CB 2.651 31.589 28.738 0.334 0.000 1.325 257 Q HN 0.475 nan 8.270 nan 0.000 0.446 258 L N 1.404 123.017 121.223 0.649 0.000 2.386 258 L HA 0.721 5.061 4.340 -0.000 0.000 0.271 258 L C -0.590 176.567 176.870 0.479 0.000 0.993 258 L CA -0.620 54.475 54.840 0.425 0.000 0.819 258 L CB 2.117 44.264 42.059 0.147 0.000 1.294 258 L HN 0.762 nan 8.230 nan 0.000 0.414 259 S N -0.513 115.410 115.700 0.372 0.000 2.596 259 S HA 0.711 5.181 4.470 -0.000 0.000 0.270 259 S C 0.252 174.992 174.600 0.234 0.000 1.155 259 S CA -0.208 58.196 58.200 0.339 0.000 0.827 259 S CB 1.756 65.196 63.200 0.399 0.000 1.130 259 S HN 1.148 nan 8.310 nan 0.000 0.467 260 G N 0.152 109.076 108.800 0.208 0.000 2.305 260 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.287 260 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.287 260 G C -0.198 174.808 174.900 0.176 0.000 1.036 260 G CA 0.345 45.548 45.100 0.172 0.000 0.887 260 G HN 1.427 nan 8.290 nan 0.000 0.505 261 L N 0.427 121.752 121.223 0.170 0.000 2.462 261 L HA 0.659 4.999 4.340 -0.000 0.000 0.272 261 L C -0.164 176.825 176.870 0.198 0.000 1.166 261 L CA -1.070 53.864 54.840 0.157 0.000 0.880 261 L CB 0.291 42.411 42.059 0.102 0.000 1.142 261 L HN 0.287 nan 8.230 nan 0.000 0.473 262 Y N 5.892 126.246 120.300 0.091 0.000 2.338 262 Y HA 0.475 5.025 4.550 -0.000 0.000 0.333 262 Y C -1.839 174.158 175.900 0.162 0.000 0.968 262 Y CA -0.847 57.306 58.100 0.089 0.000 1.123 262 Y CB 1.190 39.683 38.460 0.056 0.000 1.165 262 Y HN 0.653 nan 8.280 nan 0.000 0.452 263 Y N 6.755 126.829 120.300 -0.377 0.000 2.331 263 Y HA 0.335 4.885 4.550 -0.000 0.000 0.326 263 Y C -0.381 175.306 175.900 -0.354 0.000 1.020 263 Y CA -1.478 56.504 58.100 -0.197 0.000 1.136 263 Y CB 0.705 39.136 38.460 -0.049 0.000 1.157 263 Y HN 0.823 nan 8.280 nan 0.000 0.444 264 N N 4.552 122.757 118.700 -0.825 0.000 2.689 264 N HA -0.222 4.518 4.740 -0.000 0.000 0.263 264 N C 1.091 176.305 175.510 -0.494 0.000 0.987 264 N CA 1.932 54.627 53.050 -0.591 0.000 0.782 264 N CB -0.993 37.102 38.487 -0.653 0.000 0.903 264 N HN 1.359 nan 8.380 nan 0.000 0.547 265 G N -1.934 106.366 108.800 -0.833 0.000 2.284 265 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.247 265 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.247 265 G C 0.060 174.688 174.900 -0.454 0.000 1.012 265 G CA 0.343 45.151 45.100 -0.486 0.000 0.618 265 G HN 0.423 nan 8.290 nan 0.000 0.521 266 L N 1.285 122.217 121.223 -0.485 0.000 2.276 266 L HA 0.397 4.737 4.340 -0.000 0.000 0.286 266 L C 0.436 177.133 176.870 -0.288 0.000 1.061 266 L CA -0.541 54.102 54.840 -0.328 0.000 0.807 266 L CB 1.177 43.033 42.059 -0.337 0.000 1.177 266 L HN -0.040 nan 8.230 nan 0.000 0.429 267 K N 3.776 124.088 120.400 -0.147 0.000 2.363 267 K HA 0.132 4.452 4.320 -0.000 0.000 0.240 267 K C 1.106 177.681 176.600 -0.042 0.000 1.169 267 K CA -0.197 56.078 56.287 -0.019 0.000 1.131 267 K CB 0.961 33.492 32.500 0.052 0.000 1.771 267 K HN 0.478 nan 8.250 nan 0.000 0.380 268 V N 1.219 121.082 119.914 -0.085 0.000 2.278 268 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 268 V C 2.206 178.295 176.094 -0.009 0.000 1.062 268 V CA 1.798 64.035 62.300 -0.105 0.000 1.038 268 V CB -0.559 31.193 31.823 -0.118 0.000 0.646 268 V HN 0.609 nan 8.190 nan 0.000 0.447 269 L N -0.223 121.041 121.223 0.068 0.000 2.093 269 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 269 L C 2.331 179.331 176.870 0.217 0.000 1.085 269 L CA 1.899 56.845 54.840 0.177 0.000 0.755 269 L CB -0.845 41.390 42.059 0.293 0.000 0.904 269 L HN 0.471 nan 8.230 nan 0.000 0.435 270 N N -0.077 118.705 118.700 0.136 0.000 2.120 270 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 270 N C 1.985 177.547 175.510 0.086 0.000 1.024 270 N CA 1.141 54.256 53.050 0.109 0.000 0.852 270 N CB -0.100 38.430 38.487 0.072 0.000 1.003 270 N HN 0.305 nan 8.380 nan 0.000 0.424 271 M N 0.739 120.367 119.600 0.045 0.000 2.159 271 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 271 M C 2.413 178.751 176.300 0.064 0.000 1.063 271 M CA 1.176 56.495 55.300 0.032 0.000 1.110 271 M CB -0.244 32.342 32.600 -0.023 0.000 1.374 271 M HN 0.227 nan 8.290 nan 0.000 0.411 272 A N 0.290 123.155 122.820 0.075 0.000 1.902 272 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 272 A C 2.302 179.985 177.584 0.165 0.000 1.181 272 A CA 1.781 53.864 52.037 0.077 0.000 0.623 272 A CB -0.829 18.151 19.000 -0.033 0.000 0.818 272 A HN 0.502 nan 8.150 nan 0.000 0.443 273 A N -0.579 122.380 122.820 0.232 0.000 2.119 273 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 273 A C 1.445 179.087 177.584 0.096 0.000 1.153 273 A CA 1.141 53.290 52.037 0.187 0.000 0.692 273 A CB -0.243 18.841 19.000 0.141 0.000 0.799 273 A HN 0.599 nan 8.150 nan 0.000 0.458 274 E N -0.398 119.850 120.200 0.080 0.000 2.585 274 E HA 0.064 4.414 4.350 -0.000 0.000 0.206 274 E C -0.329 176.299 176.600 0.047 0.000 1.007 274 E CA -0.472 55.960 56.400 0.052 0.000 1.028 274 E CB -0.123 29.603 29.700 0.043 0.000 1.087 274 E HN 0.506 nan 8.360 nan 0.000 0.455 275 N N 3.027 121.760 118.700 0.055 0.000 2.698 275 N HA -0.202 4.538 4.740 -0.000 0.000 0.258 275 N C -0.642 174.889 175.510 0.035 0.000 0.978 275 N CA 0.492 53.567 53.050 0.042 0.000 0.777 275 N CB -0.762 37.744 38.487 0.032 0.000 0.907 275 N HN 0.297 nan 8.380 nan 0.000 0.543 276 D N -0.345 120.083 120.400 0.045 0.000 2.478 276 D HA 0.072 4.712 4.640 -0.000 0.000 0.234 276 D C 1.254 177.572 176.300 0.029 0.000 1.154 276 D CA 0.825 54.855 54.000 0.051 0.000 0.874 276 D CB 0.804 41.659 40.800 0.091 0.000 1.198 276 D HN 0.487 nan 8.370 nan 0.000 0.455 277 A N 4.316 127.147 122.820 0.017 0.000 2.015 277 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 277 A C 1.467 179.020 177.584 -0.052 0.000 1.163 277 A CA 0.891 52.921 52.037 -0.011 0.000 0.646 277 A CB -0.095 18.900 19.000 -0.007 0.000 0.806 277 A HN 0.648 nan 8.150 nan 0.000 0.448 278 N N -0.241 118.411 118.700 -0.081 0.000 2.313 278 N HA 0.233 4.972 4.740 -0.000 0.000 0.207 278 N C -0.364 174.977 175.510 -0.281 0.000 1.141 278 N CA 0.298 53.200 53.050 -0.246 0.000 0.830 278 N CB 0.509 38.716 38.487 -0.467 0.000 1.008 278 N HN 0.430 nan 8.380 nan 0.000 0.481 279 I N 0.595 121.104 120.570 -0.101 0.000 2.530 279 I HA 0.499 4.669 4.170 -0.000 0.000 0.297 279 I C -0.516 175.566 176.117 -0.057 0.000 1.011 279 I CA -0.905 60.360 61.300 -0.059 0.000 1.107 279 I CB 2.054 40.070 38.000 0.027 0.000 1.285 279 I HN -0.128 nan 8.210 nan 0.000 0.436 280 A N 7.318 130.101 122.820 -0.060 0.000 2.374 280 A HA 0.783 5.103 4.320 -0.000 0.000 0.305 280 A C -0.947 176.610 177.584 -0.045 0.000 1.053 280 A CA -0.460 51.548 52.037 -0.047 0.000 0.726 280 A CB 1.164 20.134 19.000 -0.050 0.000 1.229 280 A HN 0.603 nan 8.150 nan 0.000 0.431 281 I N 2.087 122.633 120.570 -0.039 0.000 2.441 281 I HA 0.651 4.821 4.170 -0.000 0.000 0.295 281 I C -0.776 175.323 176.117 -0.030 0.000 0.994 281 I CA -0.982 60.288 61.300 -0.050 0.000 1.144 281 I CB 1.922 39.888 38.000 -0.057 0.000 1.314 281 I HN 0.337 nan 8.210 nan 0.000 0.445 282 V N 3.872 123.771 119.914 -0.025 0.000 2.932 282 V HA 0.838 4.958 4.120 -0.000 0.000 0.307 282 V C 0.257 176.351 176.094 -0.001 0.000 1.147 282 V CA 0.089 62.384 62.300 -0.008 0.000 0.951 282 V CB 1.737 33.561 31.823 0.002 0.000 1.031 282 V HN 1.128 nan 8.190 nan 0.000 0.426 283 G N 3.842 112.642 108.800 0.001 0.000 2.615 283 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 283 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 283 G C -0.170 174.725 174.900 -0.008 0.000 1.339 283 G CA 0.076 45.182 45.100 0.010 0.000 0.884 283 G HN 0.883 nan 8.290 nan 0.000 0.559 284 N N 0.511 119.214 118.700 0.005 0.000 3.050 284 N HA 0.400 5.140 4.740 -0.000 0.000 0.289 284 N C -0.375 175.091 175.510 -0.074 0.000 1.209 284 N CA 0.308 53.351 53.050 -0.012 0.000 1.154 284 N CB -0.141 38.357 38.487 0.018 0.000 1.444 284 N HN 0.683 nan 8.380 nan 0.000 0.529 285 V N 3.078 122.912 119.914 -0.132 0.000 2.483 285 V HA 0.486 4.606 4.120 -0.000 0.000 0.297 285 V C -0.046 175.987 176.094 -0.102 0.000 1.027 285 V CA -0.807 61.321 62.300 -0.286 0.000 0.855 285 V CB 1.790 33.354 31.823 -0.433 0.000 0.995 285 V HN 0.303 nan 8.190 nan 0.000 0.424 286 R N 3.388 123.852 120.500 -0.060 0.000 2.686 286 R HA 0.578 4.918 4.340 -0.000 0.000 0.286 286 R C -1.119 175.145 176.300 -0.059 0.000 0.969 286 R CA -1.017 55.078 56.100 -0.009 0.000 0.898 286 R CB 2.581 32.859 30.300 -0.036 0.000 1.183 286 R HN 0.585 nan 8.270 nan 0.000 0.456 287 L N 3.971 125.086 121.223 -0.182 0.000 2.363 287 L HA 0.151 4.491 4.340 -0.000 0.000 0.286 287 L C -0.121 176.557 176.870 -0.320 0.000 1.106 287 L CA 0.013 54.523 54.840 -0.550 0.000 0.859 287 L CB 0.514 42.293 42.059 -0.467 0.000 1.223 287 L HN 0.367 nan 8.230 nan 0.000 0.446 288 V N 0.000 119.745 119.914 -0.281 0.000 2.409 288 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 288 V CA 0.000 62.200 62.300 -0.167 0.000 1.235 288 V CB 0.000 31.742 31.823 -0.135 0.000 1.184 288 V HN 0.000 nan 8.190 nan 0.000 0.556