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_E 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 VGNVRLVGEV P 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 0.000 175.170 175.328 -0.264 0.000 0.993 82 H CA 0.000 55.896 56.048 -0.254 0.000 1.023 82 H CB 0.000 29.618 29.762 -0.240 0.000 1.292 83 A N 0.491 123.318 122.820 0.013 0.000 2.579 83 A HA 0.382 4.702 4.320 0.000 0.000 0.298 83 A C 0.566 178.167 177.584 0.028 0.000 1.222 83 A CA 0.864 52.895 52.037 -0.009 0.000 0.676 83 A CB -1.548 17.419 19.000 -0.055 0.000 1.480 83 A HN 2.142 nan 8.150 nan 0.000 0.331 84 G N 0.102 108.925 108.800 0.038 0.000 2.371 84 G HA2 0.535 4.495 3.960 0.000 0.000 0.663 84 G HA3 0.535 4.495 3.960 0.000 0.000 0.663 84 G C -0.254 174.680 174.900 0.058 0.000 1.311 84 G CA 0.180 45.313 45.100 0.055 0.000 0.985 84 G HN 1.980 nan 8.290 nan 0.000 0.566 85 T N 1.296 115.890 114.554 0.067 0.000 2.940 85 T HA 0.540 4.890 4.350 0.000 0.000 0.309 85 T C 0.334 175.085 174.700 0.085 0.000 1.056 85 T CA 1.018 63.150 62.100 0.054 0.000 1.137 85 T CB 0.728 69.652 68.868 0.094 0.000 0.976 85 T HN 0.799 nan 8.240 nan 0.000 0.547 86 T N 2.715 117.268 114.554 -0.003 0.000 2.912 86 T HA 0.555 4.905 4.350 0.000 0.000 0.299 86 T C -1.379 173.272 174.700 -0.082 0.000 1.052 86 T CA -0.484 61.645 62.100 0.049 0.000 0.996 86 T CB 0.920 69.810 68.868 0.037 0.000 1.070 86 T HN 0.447 nan 8.240 nan 0.000 0.465 87 Y N 0.928 121.287 120.300 0.098 0.000 2.536 87 Y HA 0.686 5.236 4.550 0.000 0.000 0.347 87 Y C -0.167 175.784 175.900 0.085 0.000 1.000 87 Y CA -1.176 56.935 58.100 0.019 0.000 1.051 87 Y CB 1.563 39.984 38.460 -0.064 0.000 1.259 87 Y HN 0.466 nan 8.280 nan 0.000 0.468 88 I N 3.030 123.659 120.570 0.099 0.000 2.433 88 I HA 0.336 4.506 4.170 0.000 0.000 0.292 88 I C -1.389 174.742 176.117 0.023 0.000 1.001 88 I CA -0.685 60.716 61.300 0.169 0.000 1.119 88 I CB 1.294 39.355 38.000 0.102 0.000 1.289 88 I HN 0.363 nan 8.210 nan 0.000 0.438 89 F N 3.858 123.933 119.950 0.208 0.000 2.426 89 F HA 0.461 4.988 4.527 -0.000 0.000 0.348 89 F C 0.441 176.283 175.800 0.070 0.000 1.124 89 F CA -0.305 57.797 58.000 0.168 0.000 1.008 89 F CB 1.641 40.808 39.000 0.279 0.000 1.139 89 F HN 0.319 nan 8.300 nan 0.000 0.452 90 S N 1.299 117.099 115.700 0.166 0.000 2.759 90 S HA 0.446 4.916 4.470 0.000 0.000 0.310 90 S C -0.786 173.861 174.600 0.077 0.000 1.123 90 S CA -1.415 56.840 58.200 0.092 0.000 0.959 90 S CB 1.107 64.340 63.200 0.056 0.000 1.172 90 S HN 0.422 nan 8.310 nan 0.000 0.539 91 K N 1.133 121.560 120.400 0.045 0.000 2.386 91 K HA 0.042 4.362 4.320 0.000 0.000 0.255 91 K C 1.121 177.748 176.600 0.044 0.000 1.134 91 K CA 1.022 57.330 56.287 0.036 0.000 1.203 91 K CB -0.807 31.707 32.500 0.025 0.000 0.768 91 K HN 1.021 nan 8.250 nan 0.000 0.501 92 G N 1.578 110.406 108.800 0.047 0.000 2.259 92 G HA2 -0.116 3.844 3.960 0.000 0.000 0.217 92 G HA3 -0.116 3.844 3.960 0.000 0.000 0.217 92 G C 0.464 175.408 174.900 0.072 0.000 1.001 92 G CA -0.138 44.991 45.100 0.049 0.000 0.627 92 G HN 1.313 nan 8.290 nan 0.000 0.501 93 G N -0.896 107.968 108.800 0.107 0.000 2.755 93 G HA2 0.519 4.479 3.960 0.000 0.000 0.686 93 G HA3 0.519 4.479 3.960 0.000 0.000 0.686 93 G C 0.587 175.601 174.900 0.190 0.000 1.427 93 G CA 0.724 45.927 45.100 0.171 0.000 0.873 93 G HN 2.261 nan 8.290 nan 0.000 0.580 94 G N -0.986 108.006 108.800 0.320 0.000 2.827 94 G HA2 0.901 4.861 3.960 0.000 0.000 0.296 94 G HA3 0.901 4.861 3.960 0.000 0.000 0.296 94 G C -0.875 174.223 174.900 0.331 0.000 1.362 94 G CA 0.583 45.834 45.100 0.253 0.000 0.809 94 G HN 1.274 nan 8.290 nan 0.000 0.522 95 Q N -0.789 119.150 119.800 0.231 0.000 2.403 95 Q HA 0.491 4.831 4.340 0.000 0.000 0.267 95 Q C -1.959 174.100 176.000 0.098 0.000 0.991 95 Q CA -0.587 55.336 55.803 0.201 0.000 0.906 95 Q CB 2.227 31.026 28.738 0.102 0.000 1.422 95 Q HN 0.494 nan 8.270 nan 0.000 0.400 96 I N 3.236 123.856 120.570 0.084 0.000 2.382 96 I HA 0.373 4.543 4.170 0.000 0.000 0.285 96 I C -0.751 175.354 176.117 -0.020 0.000 1.007 96 I CA -0.468 60.813 61.300 -0.031 0.000 1.142 96 I CB 2.038 39.958 38.000 -0.134 0.000 1.289 96 I HN 0.541 nan 8.210 nan 0.000 0.453 97 T N 5.338 119.881 114.554 -0.018 0.000 2.797 97 T HA 0.324 4.674 4.350 0.000 0.000 0.279 97 T C -1.023 173.681 174.700 0.008 0.000 0.991 97 T CA -0.399 61.694 62.100 -0.011 0.000 0.979 97 T CB 1.119 69.977 68.868 -0.017 0.000 0.943 97 T HN 0.285 nan 8.240 nan 0.000 0.444 98 Y N 3.295 123.500 120.300 -0.158 0.000 2.356 98 Y HA 0.458 5.008 4.550 -0.000 0.000 0.334 98 Y C -0.362 175.405 175.900 -0.221 0.000 0.958 98 Y CA -1.167 56.795 58.100 -0.229 0.000 1.196 98 Y CB 0.664 38.910 38.460 -0.356 0.000 1.137 98 Y HN 0.433 nan 8.280 nan 0.000 0.485 99 K N 6.698 126.670 120.400 -0.713 0.000 2.281 99 K HA 0.140 4.460 4.320 0.000 0.000 0.272 99 K C -0.615 175.556 176.600 -0.715 0.000 1.048 99 K CA -0.615 55.360 56.287 -0.520 0.000 0.898 99 K CB 0.968 33.334 32.500 -0.224 0.000 1.128 99 K HN 0.584 nan 8.250 nan 0.000 0.460 100 W N 3.255 124.187 121.300 -0.613 0.000 2.170 100 W HA 0.048 4.708 4.660 0.000 0.000 0.342 100 W C -1.938 174.451 176.519 -0.216 0.000 1.294 100 W CA -1.551 55.568 57.345 -0.377 0.000 1.246 100 W CB 0.010 29.381 29.460 -0.149 0.000 1.156 100 W HN 0.277 nan 8.180 nan 0.000 0.572 101 P HA 0.008 nan 4.420 nan 0.000 0.267 101 P C -1.780 175.556 177.300 0.061 0.000 1.205 101 P CA -0.354 62.783 63.100 0.061 0.000 0.765 101 P CB 0.247 31.991 31.700 0.074 0.000 0.828 102 P HA -0.269 nan 4.420 nan 0.000 0.221 102 P C 0.495 177.793 177.300 -0.003 0.000 1.160 102 P CA 1.754 64.859 63.100 0.008 0.000 0.933 102 P CB -0.184 31.517 31.700 0.001 0.000 0.793 103 N N -0.828 117.873 118.700 0.002 0.000 2.375 103 N HA -0.009 4.731 4.740 0.000 0.000 0.220 103 N C 0.088 175.591 175.510 -0.011 0.000 1.170 103 N CA 0.517 53.562 53.050 -0.010 0.000 0.833 103 N CB -0.049 38.434 38.487 -0.006 0.000 1.069 103 N HN 0.207 nan 8.380 nan 0.000 0.479 104 D N 0.052 120.451 120.400 -0.002 0.000 2.520 104 D HA 0.099 4.739 4.640 0.000 0.000 0.223 104 D C 0.142 176.370 176.300 -0.120 0.000 1.186 104 D CA -0.147 53.854 54.000 0.003 0.000 0.821 104 D CB 0.815 41.684 40.800 0.114 0.000 1.072 104 D HN 0.092 nan 8.370 nan 0.000 0.518 105 R N 2.410 122.796 120.500 -0.191 0.000 2.480 105 R HA 0.110 4.450 4.340 0.000 0.000 0.303 105 R C -2.092 173.926 176.300 -0.468 0.000 0.985 105 R CA -0.443 55.390 56.100 -0.445 0.000 1.051 105 R CB 0.184 30.311 30.300 -0.289 0.000 0.935 105 R HN 0.102 nan 8.270 nan 0.000 0.410 106 P HA 0.171 nan 4.420 nan 0.000 0.278 106 P C -0.935 176.117 177.300 -0.413 0.000 1.258 106 P CA -0.556 62.272 63.100 -0.454 0.000 0.811 106 P CB 1.485 32.920 31.700 -0.441 0.000 1.063 107 S N -0.034 115.513 115.700 -0.255 0.000 2.594 107 S HA 0.600 5.070 4.470 0.000 0.000 0.296 107 S C -0.302 174.229 174.600 -0.115 0.000 1.124 107 S CA -0.465 57.628 58.200 -0.179 0.000 1.011 107 S CB 1.378 64.511 63.200 -0.110 0.000 1.016 107 S HN 0.694 nan 8.310 nan 0.000 0.485 108 T N -0.688 113.826 114.554 -0.066 0.000 2.906 108 T HA 0.536 4.886 4.350 0.000 0.000 0.295 108 T C 0.628 175.339 174.700 0.018 0.000 1.061 108 T CA -1.118 60.965 62.100 -0.029 0.000 1.000 108 T CB 1.577 70.424 68.868 -0.035 0.000 1.103 108 T HN 0.630 nan 8.240 nan 0.000 0.486 109 R N 0.849 121.346 120.500 -0.005 0.000 2.254 109 R HA 0.654 4.994 4.340 0.000 0.000 0.195 109 R C 0.535 176.819 176.300 -0.026 0.000 0.957 109 R CA 0.020 56.116 56.100 -0.006 0.000 1.024 109 R CB 0.240 30.532 30.300 -0.014 0.000 0.952 109 R HN 0.733 nan 8.270 nan 0.000 0.484 110 A N 0.653 123.452 122.820 -0.035 0.000 2.572 110 A HA 0.571 4.891 4.320 0.000 0.000 0.295 110 A C -1.886 175.663 177.584 -0.057 0.000 1.072 110 A CA -0.972 51.023 52.037 -0.070 0.000 0.691 110 A CB 1.667 20.618 19.000 -0.080 0.000 1.291 110 A HN 0.193 nan 8.150 nan 0.000 0.404 111 D N 0.460 120.814 120.400 -0.077 0.000 2.732 111 D HA 0.564 5.204 4.640 0.000 0.000 0.229 111 D C -0.971 175.291 176.300 -0.062 0.000 1.152 111 D CA -0.286 53.691 54.000 -0.038 0.000 0.854 111 D CB 2.108 43.010 40.800 0.170 0.000 1.590 111 D HN 0.509 nan 8.370 nan 0.000 0.468 112 R N 0.801 121.272 120.500 -0.049 0.000 2.532 112 R HA 0.613 4.953 4.340 0.000 0.000 0.297 112 R C -1.188 175.233 176.300 0.201 0.000 0.984 112 R CA -0.861 55.271 56.100 0.052 0.000 0.884 112 R CB 2.144 32.495 30.300 0.085 0.000 1.182 112 R HN 0.254 nan 8.270 nan 0.000 0.442 113 L N 1.974 123.386 121.223 0.316 0.000 2.438 113 L HA 0.852 5.192 4.340 0.000 0.000 0.270 113 L C -1.569 175.478 176.870 0.295 0.000 0.972 113 L CA -0.219 54.866 54.840 0.408 0.000 0.831 113 L CB 2.111 44.467 42.059 0.495 0.000 1.273 113 L HN 0.781 nan 8.230 nan 0.000 0.405 114 A N 5.712 128.700 122.820 0.279 0.000 2.449 114 A HA 0.900 5.220 4.320 0.000 0.000 0.302 114 A C -1.489 176.193 177.584 0.162 0.000 1.048 114 A CA -0.479 51.662 52.037 0.174 0.000 0.708 114 A CB 1.379 20.439 19.000 0.100 0.000 1.274 114 A HN 0.909 nan 8.150 nan 0.000 0.410 115 I N 0.832 121.473 120.570 0.119 0.000 2.842 115 I HA 0.627 4.797 4.170 0.000 0.000 0.297 115 I C -0.049 176.143 176.117 0.124 0.000 1.380 115 I CA -0.465 60.904 61.300 0.115 0.000 1.018 115 I CB 2.107 40.146 38.000 0.064 0.000 1.311 115 I HN 0.884 nan 8.210 nan 0.000 0.439 116 G N 5.289 114.159 108.800 0.117 0.000 2.367 116 G HA2 0.686 4.646 3.960 0.000 0.000 0.314 116 G HA3 0.686 4.646 3.960 0.000 0.000 0.314 116 G C -1.302 173.633 174.900 0.059 0.000 1.130 116 G CA -0.390 44.685 45.100 -0.041 0.000 0.864 116 G HN 0.658 nan 8.290 nan 0.000 0.486 117 F N -0.157 119.634 119.950 -0.264 0.000 2.711 117 F HA 0.838 5.365 4.527 0.000 0.000 0.313 117 F C -0.499 175.328 175.800 0.046 0.000 1.141 117 F CA -1.206 56.783 58.000 -0.019 0.000 0.941 117 F CB 1.806 40.794 39.000 -0.021 0.000 1.349 117 F HN 0.759 nan 8.300 nan 0.000 0.464 118 S N 0.430 116.319 115.700 0.316 0.000 2.543 118 S HA 0.764 5.234 4.470 0.000 0.000 0.273 118 S C -1.116 173.703 174.600 0.365 0.000 1.152 118 S CA 0.018 58.335 58.200 0.195 0.000 0.910 118 S CB 1.461 64.728 63.200 0.111 0.000 1.105 118 S HN 1.588 nan 8.310 nan 0.000 0.465 119 T N -0.165 114.560 114.554 0.283 0.000 2.722 119 T HA 0.469 4.819 4.350 0.000 0.000 0.314 119 T C -0.374 174.398 174.700 0.120 0.000 1.675 119 T CA 0.105 62.279 62.100 0.124 0.000 1.003 119 T CB 0.904 69.825 68.868 0.088 0.000 1.602 119 T HN 1.875 nan 8.240 nan 0.000 0.496 120 V N -0.136 119.800 119.914 0.037 0.000 3.432 120 V HA 0.493 4.613 4.120 0.000 0.000 0.298 120 V C 0.586 176.699 176.094 0.031 0.000 1.464 120 V CA -0.102 62.230 62.300 0.053 0.000 1.046 120 V CB -0.269 31.576 31.823 0.036 0.000 0.887 120 V HN 0.787 nan 8.190 nan 0.000 0.441 121 Q N 1.035 120.836 119.800 0.001 0.000 2.395 121 Q HA 0.232 4.572 4.340 0.000 0.000 0.271 121 Q C 0.740 176.755 176.000 0.026 0.000 1.026 121 Q CA 0.313 56.113 55.803 -0.006 0.000 0.900 121 Q CB 1.303 30.016 28.738 -0.042 0.000 1.266 121 Q HN 0.403 nan 8.270 nan 0.000 0.430 122 K N 0.883 121.289 120.400 0.010 0.000 2.137 122 K HA 0.010 4.330 4.320 0.000 0.000 0.202 122 K C -0.102 176.498 176.600 0.000 0.000 1.052 122 K CA 0.813 57.099 56.287 -0.003 0.000 0.961 122 K CB 0.562 33.048 32.500 -0.024 0.000 0.741 122 K HN 0.479 nan 8.250 nan 0.000 0.452 123 E N -0.083 120.128 120.200 0.017 0.000 2.234 123 E HA 0.552 4.902 4.350 0.000 0.000 0.266 123 E C -1.322 175.309 176.600 0.052 0.000 0.877 123 E CA -0.526 55.900 56.400 0.043 0.000 0.758 123 E CB 2.171 31.899 29.700 0.047 0.000 1.170 123 E HN 0.148 nan 8.360 nan 0.000 0.415 124 A N 1.617 124.481 122.820 0.072 0.000 2.599 124 A HA 0.484 4.804 4.320 0.000 0.000 0.294 124 A C -1.450 176.186 177.584 0.086 0.000 1.055 124 A CA -0.612 51.484 52.037 0.098 0.000 0.683 124 A CB 1.291 20.409 19.000 0.197 0.000 1.278 124 A HN 0.232 nan 8.150 nan 0.000 0.412 125 V N 3.717 123.663 119.914 0.054 0.000 2.328 125 V HA 0.281 4.401 4.120 0.000 0.000 0.278 125 V C 0.956 176.983 176.094 -0.111 0.000 1.021 125 V CA -0.260 62.043 62.300 0.006 0.000 0.838 125 V CB 0.874 32.694 31.823 -0.004 0.000 0.999 125 V HN 0.845 nan 8.190 nan 0.000 0.447 126 L N 4.609 125.696 121.223 -0.228 0.000 2.071 126 L HA 0.235 4.575 4.340 0.000 0.000 0.201 126 L C 0.307 176.962 176.870 -0.358 0.000 1.076 126 L CA 1.155 55.719 54.840 -0.460 0.000 0.755 126 L CB -0.066 41.640 42.059 -0.589 0.000 0.915 126 L HN 0.392 nan 8.230 nan 0.000 0.445 127 V N -0.111 119.646 119.914 -0.261 0.000 2.709 127 V HA 0.467 4.587 4.120 0.000 0.000 0.308 127 V C -0.608 175.398 176.094 -0.146 0.000 1.062 127 V CA -0.693 61.488 62.300 -0.198 0.000 0.901 127 V CB 2.464 34.176 31.823 -0.186 0.000 1.003 127 V HN 0.255 nan 8.190 nan 0.000 0.425 128 R N 2.761 123.197 120.500 -0.106 0.000 2.514 128 R HA 0.733 5.073 4.340 0.000 0.000 0.296 128 R C -2.031 174.264 176.300 -0.008 0.000 1.012 128 R CA -0.372 55.701 56.100 -0.045 0.000 0.897 128 R CB 2.084 32.370 30.300 -0.023 0.000 1.184 128 R HN 0.549 nan 8.270 nan 0.000 0.440 129 V N 4.355 124.299 119.914 0.050 0.000 2.370 129 V HA 0.370 4.490 4.120 0.000 0.000 0.283 129 V C -0.355 175.940 176.094 0.334 0.000 1.023 129 V CA -0.570 61.813 62.300 0.140 0.000 0.857 129 V CB 1.518 33.403 31.823 0.103 0.000 0.985 129 V HN 0.758 nan 8.190 nan 0.000 0.443 130 D N 2.305 122.863 120.400 0.263 0.000 2.252 130 D HA 0.456 5.096 4.640 0.000 0.000 0.245 130 D C 0.056 176.489 176.300 0.221 0.000 1.009 130 D CA -0.102 54.062 54.000 0.274 0.000 0.870 130 D CB 2.371 43.263 40.800 0.154 0.000 1.251 130 D HN 0.632 nan 8.370 nan 0.000 0.460 131 S N 0.271 116.126 115.700 0.259 0.000 2.645 131 S HA 0.390 4.860 4.470 0.000 0.000 0.266 131 S C 0.599 175.245 174.600 0.076 0.000 1.258 131 S CA -0.747 57.535 58.200 0.137 0.000 0.990 131 S CB 0.842 64.183 63.200 0.235 0.000 0.967 131 S HN 0.429 nan 8.310 nan 0.000 0.556 132 S N 1.189 116.902 115.700 0.021 0.000 2.606 132 S HA 0.282 4.752 4.470 0.000 0.000 0.257 132 S C 0.262 174.881 174.600 0.032 0.000 1.327 132 S CA -0.784 57.426 58.200 0.018 0.000 0.984 132 S CB -0.275 62.919 63.200 -0.009 0.000 0.941 132 S HN 0.755 nan 8.310 nan 0.000 0.576 133 S N 0.637 116.351 115.700 0.023 0.000 2.560 133 S HA 0.476 4.946 4.470 0.000 0.000 0.284 133 S C 1.468 176.082 174.600 0.023 0.000 1.327 133 S CA 0.380 58.594 58.200 0.023 0.000 1.055 133 S CB 0.136 63.345 63.200 0.014 0.000 0.868 133 S HN 1.566 nan 8.310 nan 0.000 0.506 134 G N 1.728 110.544 108.800 0.027 0.000 2.254 134 G HA2 -0.193 3.767 3.960 0.000 0.000 0.225 134 G HA3 -0.193 3.767 3.960 0.000 0.000 0.225 134 G C -0.126 174.796 174.900 0.036 0.000 1.003 134 G CA -0.320 44.795 45.100 0.025 0.000 0.622 134 G HN 0.563 nan 8.290 nan 0.000 0.507 135 L N 0.601 121.854 121.223 0.051 0.000 2.331 135 L HA 0.677 5.017 4.340 0.000 0.000 0.275 135 L C 1.558 178.486 176.870 0.097 0.000 1.022 135 L CA -0.147 54.736 54.840 0.071 0.000 0.812 135 L CB 1.870 43.978 42.059 0.082 0.000 1.257 135 L HN 0.123 nan 8.230 nan 0.000 0.435 136 G N -0.267 108.596 108.800 0.105 0.000 3.088 136 G HA2 0.012 3.972 3.960 0.000 0.000 0.217 136 G HA3 0.012 3.972 3.960 0.000 0.000 0.217 136 G C 0.100 175.129 174.900 0.214 0.000 1.159 136 G CA -0.271 44.915 45.100 0.142 0.000 0.760 136 G HN 0.568 nan 8.290 nan 0.000 0.550 137 D N 0.468 120.979 120.400 0.185 0.000 2.443 137 D HA 0.401 5.041 4.640 0.000 0.000 0.239 137 D C -0.082 176.366 176.300 0.246 0.000 1.136 137 D CA 0.578 54.659 54.000 0.135 0.000 0.879 137 D CB 0.589 41.541 40.800 0.254 0.000 1.195 137 D HN 0.493 nan 8.370 nan 0.000 0.443 138 Y N -0.893 119.313 120.300 -0.156 0.000 2.702 138 Y HA 0.553 5.103 4.550 0.000 0.000 0.336 138 Y C -2.428 173.306 175.900 -0.278 0.000 1.203 138 Y CA -1.523 56.532 58.100 -0.075 0.000 1.072 138 Y CB 0.779 39.245 38.460 0.010 0.000 1.327 138 Y HN 0.233 nan 8.280 nan 0.000 0.456 139 L N 2.343 123.561 121.223 -0.008 0.000 2.470 139 L HA 0.639 4.979 4.340 0.000 0.000 0.268 139 L C -1.501 175.401 176.870 0.054 0.000 0.964 139 L CA -0.590 54.185 54.840 -0.108 0.000 0.839 139 L CB 2.088 44.091 42.059 -0.094 0.000 1.276 139 L HN 0.891 nan 8.230 nan 0.000 0.403 140 E N 4.301 124.496 120.200 -0.009 0.000 2.265 140 E HA 0.390 4.740 4.350 0.000 0.000 0.262 140 E C -1.848 174.539 176.600 -0.356 0.000 0.889 140 E CA -0.833 55.519 56.400 -0.081 0.000 0.789 140 E CB 1.868 31.615 29.700 0.078 0.000 1.221 140 E HN 0.647 nan 8.360 nan 0.000 0.414 141 L N 6.689 127.710 121.223 -0.337 0.000 2.276 141 L HA 0.414 4.754 4.340 0.000 0.000 0.286 141 L C -0.807 175.864 176.870 -0.331 0.000 1.061 141 L CA 0.194 54.785 54.840 -0.416 0.000 0.807 141 L CB 0.476 42.351 42.059 -0.307 0.000 1.177 141 L HN 0.618 nan 8.230 nan 0.000 0.429 142 H N 3.348 122.324 119.070 -0.157 0.000 2.990 142 H HA 0.559 5.115 4.556 0.000 0.000 0.336 142 H C -1.371 173.897 175.328 -0.099 0.000 1.306 142 H CA -1.282 54.692 56.048 -0.124 0.000 1.118 142 H CB 1.334 31.051 29.762 -0.076 0.000 1.856 142 H HN 0.485 nan 8.280 nan 0.000 0.538 143 I N 1.750 122.416 120.570 0.161 0.000 2.389 143 I HA 0.162 4.332 4.170 0.000 0.000 0.288 143 I C -1.032 175.158 176.117 0.120 0.000 0.999 143 I CA -0.383 60.980 61.300 0.104 0.000 1.129 143 I CB 1.513 39.543 38.000 0.049 0.000 1.288 143 I HN 0.560 nan 8.210 nan 0.000 0.444 144 H N 6.091 125.158 119.070 -0.005 0.000 2.658 144 H HA 0.299 4.855 4.556 0.000 0.000 0.337 144 H C -0.791 174.529 175.328 -0.012 0.000 1.009 144 H CA -0.491 55.523 56.048 -0.056 0.000 1.231 144 H CB 1.003 30.684 29.762 -0.135 0.000 1.508 144 H HN 0.548 nan 8.280 nan 0.000 0.517 145 Q N 3.848 123.396 119.800 -0.419 0.000 2.452 145 Q HA -0.231 4.109 4.340 0.000 0.000 0.318 145 Q C 0.964 176.895 176.000 -0.115 0.000 1.386 145 Q CA 0.941 56.560 55.803 -0.307 0.000 0.872 145 Q CB -1.653 26.837 28.738 -0.414 0.000 1.151 145 Q HN 1.281 nan 8.270 nan 0.000 0.417 146 G N -0.556 108.220 108.800 -0.041 0.000 2.196 146 G HA2 -0.349 3.611 3.960 0.000 0.000 0.268 146 G HA3 -0.349 3.611 3.960 0.000 0.000 0.268 146 G C 0.043 174.978 174.900 0.059 0.000 0.975 146 G CA 0.918 46.034 45.100 0.026 0.000 0.648 146 G HN 0.296 nan 8.290 nan 0.000 0.538 147 K N -0.071 120.359 120.400 0.049 0.000 2.159 147 K HA 0.616 4.936 4.320 0.000 0.000 0.266 147 K C -0.423 176.236 176.600 0.099 0.000 0.975 147 K CA -1.028 55.312 56.287 0.088 0.000 0.865 147 K CB 2.510 35.061 32.500 0.086 0.000 1.087 147 K HN 0.169 nan 8.250 nan 0.000 0.446 148 I N 1.121 121.743 120.570 0.086 0.000 2.428 148 I HA 0.404 4.574 4.170 0.000 0.000 0.289 148 I C 0.056 176.207 176.117 0.056 0.000 1.019 148 I CA 0.561 61.874 61.300 0.021 0.000 1.351 148 I CB 1.124 39.095 38.000 -0.048 0.000 1.412 148 I HN 0.771 nan 8.210 nan 0.000 0.513 149 G N 5.347 114.166 108.800 0.033 0.000 2.608 149 G HA2 0.612 4.573 3.960 0.000 0.000 0.291 149 G HA3 0.612 4.573 3.960 0.000 0.000 0.291 149 G C -2.113 172.628 174.900 -0.266 0.000 1.425 149 G CA -0.566 44.538 45.100 0.005 0.000 0.787 149 G HN 0.478 nan 8.290 nan 0.000 0.484 150 V N 0.347 120.113 119.914 -0.246 0.000 2.588 150 V HA 0.669 4.789 4.120 0.000 0.000 0.304 150 V C -0.304 175.633 176.094 -0.261 0.000 1.042 150 V CA -0.837 61.189 62.300 -0.455 0.000 0.877 150 V CB 1.873 33.277 31.823 -0.699 0.000 0.996 150 V HN 0.818 nan 8.190 nan 0.000 0.425 151 K N 4.927 125.172 120.400 -0.258 0.000 2.376 151 K HA 0.727 5.047 4.320 0.000 0.000 0.257 151 K C -1.443 175.090 176.600 -0.111 0.000 0.939 151 K CA -0.459 55.775 56.287 -0.088 0.000 0.809 151 K CB 1.542 34.128 32.500 0.143 0.000 1.121 151 K HN 0.592 nan 8.250 nan 0.000 0.425 152 F N 0.918 120.652 119.950 -0.360 0.000 2.650 152 F HA 0.622 5.149 4.527 -0.000 0.000 0.320 152 F C -1.297 174.088 175.800 -0.691 0.000 1.091 152 F CA -1.040 56.552 58.000 -0.680 0.000 0.962 152 F CB 1.618 40.326 39.000 -0.488 0.000 1.363 152 F HN 0.382 nan 8.300 nan 0.000 0.482 153 N N 0.981 119.305 118.700 -0.628 0.000 2.503 153 N HA 0.347 5.087 4.740 0.000 0.000 0.287 153 N C -1.236 174.121 175.510 -0.255 0.000 1.096 153 N CA -0.437 52.372 53.050 -0.401 0.000 0.936 153 N CB 2.381 40.629 38.487 -0.398 0.000 1.570 153 N HN 0.922 nan 8.380 nan 0.000 0.504 154 V N 1.187 121.055 119.914 -0.076 0.000 2.887 154 V HA 0.655 4.775 4.120 0.000 0.000 0.370 154 V C 1.116 177.216 176.094 0.009 0.000 1.322 154 V CA 0.464 62.740 62.300 -0.040 0.000 1.267 154 V CB -0.038 31.790 31.823 0.008 0.000 1.344 154 V HN 0.868 nan 8.190 nan 0.000 0.573 155 G N 0.159 108.958 108.800 -0.002 0.000 2.352 155 G HA2 -0.239 3.721 3.960 0.000 0.000 0.204 155 G HA3 -0.239 3.721 3.960 0.000 0.000 0.204 155 G C 0.455 175.358 174.900 0.005 0.000 1.004 155 G CA 0.398 45.507 45.100 0.015 0.000 0.648 155 G HN 0.572 nan 8.290 nan 0.000 0.491 156 T N 1.028 115.577 114.554 -0.008 0.000 2.507 156 T HA 0.415 4.765 4.350 0.000 0.000 0.180 156 T C 0.232 174.912 174.700 -0.033 0.000 0.681 156 T CA 0.465 62.557 62.100 -0.014 0.000 1.959 156 T CB 0.074 68.936 68.868 -0.009 0.000 2.896 156 T HN 0.224 nan 8.240 nan 0.000 0.391 157 D N 1.800 122.166 120.400 -0.056 0.000 2.340 157 D HA 0.316 4.956 4.640 0.000 0.000 0.251 157 D C -0.819 175.395 176.300 -0.144 0.000 1.080 157 D CA -0.286 53.667 54.000 -0.079 0.000 0.971 157 D CB 0.619 41.371 40.800 -0.081 0.000 1.137 157 D HN 0.229 nan 8.370 nan 0.000 0.475 158 D N 0.740 121.060 120.400 -0.134 0.000 2.308 158 D HA 0.297 4.937 4.640 0.000 0.000 0.251 158 D C 0.013 176.132 176.300 -0.302 0.000 1.127 158 D CA 0.065 53.947 54.000 -0.197 0.000 0.876 158 D CB 1.007 41.763 40.800 -0.073 0.000 1.176 158 D HN 0.176 nan 8.370 nan 0.000 0.446 159 I N 1.554 121.778 120.570 -0.577 0.000 2.404 159 I HA 0.515 4.685 4.170 0.000 0.000 0.293 159 I C -0.067 175.723 176.117 -0.545 0.000 0.992 159 I CA -0.776 60.139 61.300 -0.642 0.000 1.149 159 I CB 1.813 39.186 38.000 -1.044 0.000 1.315 159 I HN 0.274 nan 8.210 nan 0.000 0.446 160 A N 7.463 130.133 122.820 -0.250 0.000 2.386 160 A HA 0.884 5.204 4.320 0.000 0.000 0.311 160 A C -1.109 176.471 177.584 -0.007 0.000 1.068 160 A CA -0.553 51.424 52.037 -0.100 0.000 0.743 160 A CB 1.744 20.724 19.000 -0.034 0.000 1.258 160 A HN 0.742 nan 8.150 nan 0.000 0.429 161 I N 1.141 121.746 120.570 0.060 0.000 2.692 161 I HA 0.610 4.780 4.170 0.000 0.000 0.293 161 I C -1.008 175.175 176.117 0.110 0.000 1.200 161 I CA -0.221 61.146 61.300 0.111 0.000 1.036 161 I CB 1.867 39.983 38.000 0.194 0.000 1.258 161 I HN 0.968 nan 8.210 nan 0.000 0.421 162 E N 5.316 125.583 120.200 0.112 0.000 2.413 162 E HA 0.341 4.691 4.350 0.000 0.000 0.277 162 E C -1.765 174.909 176.600 0.125 0.000 0.958 162 E CA -0.743 55.727 56.400 0.116 0.000 0.779 162 E CB 1.918 31.693 29.700 0.124 0.000 1.278 162 E HN 0.473 nan 8.360 nan 0.000 0.456 163 E N 1.435 121.717 120.200 0.137 0.000 2.014 163 E HA 0.268 4.618 4.350 0.000 0.000 0.275 163 E C -0.845 175.849 176.600 0.156 0.000 0.997 163 E CA -0.090 56.415 56.400 0.174 0.000 0.804 163 E CB 1.039 30.879 29.700 0.233 0.000 1.090 163 E HN 0.468 nan 8.360 nan 0.000 0.401 164 S N 3.563 119.336 115.700 0.122 0.000 2.486 164 S HA 0.002 4.472 4.470 0.000 0.000 0.220 164 S C 1.250 175.887 174.600 0.062 0.000 1.011 164 S CA 0.060 58.312 58.200 0.087 0.000 0.921 164 S CB -0.026 63.216 63.200 0.070 0.000 0.785 164 S HN 0.496 nan 8.310 nan 0.000 0.517 165 N N 2.144 120.877 118.700 0.056 0.000 2.069 165 N HA 0.040 4.780 4.740 0.000 0.000 0.191 165 N C 0.358 175.834 175.510 -0.058 0.000 1.031 165 N CA 1.286 54.329 53.050 -0.011 0.000 0.852 165 N CB -0.119 38.344 38.487 -0.041 0.000 1.018 165 N HN 0.431 nan 8.380 nan 0.000 0.423 166 A N -0.406 122.401 122.820 -0.023 0.000 2.413 166 A HA 0.646 4.966 4.320 0.000 0.000 0.307 166 A C -0.105 177.554 177.584 0.124 0.000 1.087 166 A CA -0.846 51.157 52.037 -0.056 0.000 0.750 166 A CB 0.827 19.552 19.000 -0.458 0.000 1.296 166 A HN 0.243 nan 8.150 nan 0.000 0.423 167 I N -0.960 119.667 120.570 0.094 0.000 3.021 167 I HA 0.611 4.781 4.170 0.000 0.000 0.303 167 I C 0.223 176.443 176.117 0.172 0.000 1.044 167 I CA -0.441 60.931 61.300 0.120 0.000 1.266 167 I CB 0.784 38.835 38.000 0.084 0.000 1.447 167 I HN 0.528 nan 8.210 nan 0.000 0.593 168 I N -0.402 120.253 120.570 0.140 0.000 4.263 168 I HA 0.232 4.402 4.170 0.000 0.000 0.335 168 I C 0.072 176.338 176.117 0.248 0.000 1.389 168 I CA -0.194 61.136 61.300 0.049 0.000 1.156 168 I CB -0.768 37.215 38.000 -0.028 0.000 1.510 168 I HN 0.659 nan 8.210 nan 0.000 0.566 169 N N 1.197 120.026 118.700 0.214 0.000 2.714 169 N HA 0.042 4.782 4.740 0.000 0.000 0.298 169 N C -0.018 175.597 175.510 0.174 0.000 1.298 169 N CA 0.049 53.228 53.050 0.215 0.000 1.007 169 N CB -0.250 38.324 38.487 0.144 0.000 1.318 169 N HN 0.480 nan 8.380 nan 0.000 0.516 170 D N -1.686 118.843 120.400 0.214 0.000 2.328 170 D HA 0.169 4.809 4.640 0.000 0.000 0.221 170 D C 1.288 177.670 176.300 0.138 0.000 1.072 170 D CA 0.247 54.348 54.000 0.169 0.000 0.850 170 D CB -0.177 40.742 40.800 0.199 0.000 0.922 170 D HN 0.349 nan 8.370 nan 0.000 0.516 171 G N 0.204 109.088 108.800 0.141 0.000 2.253 171 G HA2 -0.331 3.629 3.960 0.000 0.000 0.251 171 G HA3 -0.331 3.629 3.960 0.000 0.000 0.251 171 G C 0.444 175.386 174.900 0.070 0.000 0.998 171 G CA 0.374 45.533 45.100 0.099 0.000 0.621 171 G HN 0.493 nan 8.290 nan 0.000 0.524 172 K N -0.613 119.811 120.400 0.040 0.000 2.140 172 K HA 0.502 4.822 4.320 0.000 0.000 0.237 172 K C -0.091 176.361 176.600 -0.248 0.000 1.045 172 K CA -0.595 55.643 56.287 -0.082 0.000 0.896 172 K CB 0.665 33.093 32.500 -0.120 0.000 1.122 172 K HN 0.198 nan 8.250 nan 0.000 0.503 173 Y N 1.509 121.553 120.300 -0.427 0.000 2.313 173 Y HA 0.151 4.701 4.550 0.000 0.000 0.332 173 Y C -0.442 174.996 175.900 -0.769 0.000 1.071 173 Y CA -0.050 57.773 58.100 -0.462 0.000 1.169 173 Y CB 0.583 38.899 38.460 -0.240 0.000 1.192 173 Y HN 0.424 nan 8.280 nan 0.000 0.487 174 H N 3.809 122.149 119.070 -1.217 0.000 2.894 174 H HA 0.608 5.164 4.556 0.000 0.000 0.368 174 H C -1.323 173.290 175.328 -1.192 0.000 1.181 174 H CA -0.864 54.533 56.048 -1.084 0.000 1.146 174 H CB 2.008 31.162 29.762 -1.013 0.000 1.839 174 H HN 0.466 nan 8.280 nan 0.000 0.557 175 V N 1.920 121.540 119.914 -0.490 0.000 2.540 175 V HA 0.242 4.362 4.120 0.000 0.000 0.302 175 V C -0.329 175.724 176.094 -0.069 0.000 1.035 175 V CA -0.751 61.398 62.300 -0.251 0.000 0.873 175 V CB 2.293 34.034 31.823 -0.138 0.000 0.992 175 V HN 0.432 nan 8.190 nan 0.000 0.428 176 V N 6.799 126.758 119.914 0.075 0.000 2.495 176 V HA 0.655 4.775 4.120 0.000 0.000 0.298 176 V C -0.402 175.733 176.094 0.069 0.000 1.031 176 V CA -0.518 61.826 62.300 0.074 0.000 0.871 176 V CB 1.805 33.696 31.823 0.113 0.000 0.988 176 V HN 0.920 nan 8.190 nan 0.000 0.432 177 R N 5.838 126.373 120.500 0.060 0.000 2.439 177 R HA 0.492 4.832 4.340 0.000 0.000 0.310 177 R C -1.559 174.819 176.300 0.130 0.000 0.955 177 R CA -0.385 55.761 56.100 0.077 0.000 0.853 177 R CB 2.212 32.522 30.300 0.017 0.000 1.171 177 R HN 0.689 nan 8.270 nan 0.000 0.449 178 F N 1.306 121.262 119.950 0.011 0.000 2.495 178 F HA 0.520 5.047 4.527 -0.000 0.000 0.327 178 F C -0.836 174.961 175.800 -0.007 0.000 1.103 178 F CA -0.290 57.711 58.000 0.002 0.000 0.949 178 F CB 2.336 41.339 39.000 0.004 0.000 1.142 178 F HN 0.248 nan 8.300 nan 0.000 0.457 179 T N 6.248 120.162 114.554 -1.066 0.000 2.886 179 T HA 0.440 4.790 4.350 0.000 0.000 0.292 179 T C -1.445 172.532 174.700 -1.206 0.000 1.012 179 T CA -0.699 60.884 62.100 -0.862 0.000 0.982 179 T CB 1.450 70.069 68.868 -0.414 0.000 1.018 179 T HN 0.744 nan 8.240 nan 0.000 0.451 180 R N 1.918 121.932 120.500 -0.810 0.000 2.561 180 R HA 0.668 5.008 4.340 0.000 0.000 0.297 180 R C -1.330 174.768 176.300 -0.337 0.000 0.969 180 R CA -0.470 55.268 56.100 -0.602 0.000 0.879 180 R CB 1.417 31.383 30.300 -0.557 0.000 1.178 180 R HN 0.572 nan 8.270 nan 0.000 0.445 181 S N 2.778 118.320 115.700 -0.263 0.000 2.745 181 S HA 0.514 4.984 4.470 0.000 0.000 0.283 181 S C 0.211 174.751 174.600 -0.101 0.000 1.170 181 S CA 0.485 58.591 58.200 -0.157 0.000 1.119 181 S CB 1.060 64.177 63.200 -0.139 0.000 1.035 181 S HN 1.059 nan 8.310 nan 0.000 0.483 182 G N 4.173 112.931 108.800 -0.070 0.000 2.596 182 G HA2 -0.288 3.672 3.960 0.000 0.000 0.304 182 G HA3 -0.288 3.672 3.960 0.000 0.000 0.304 182 G C 0.935 175.853 174.900 0.029 0.000 1.189 182 G CA 0.308 45.400 45.100 -0.014 0.000 0.986 182 G HN 1.316 nan 8.290 nan 0.000 0.548 183 G N 0.467 109.320 108.800 0.087 0.000 2.939 183 G HA2 0.308 4.268 3.960 0.000 0.000 0.210 183 G HA3 0.308 4.268 3.960 0.000 0.000 0.210 183 G C 0.643 175.680 174.900 0.229 0.000 1.160 183 G CA 0.923 46.147 45.100 0.208 0.000 0.770 183 G HN 0.655 nan 8.290 nan 0.000 0.543 184 N N 0.741 119.476 118.700 0.058 0.000 2.408 184 N HA 0.655 5.395 4.740 0.000 0.000 0.260 184 N C -0.093 175.358 175.510 -0.097 0.000 1.242 184 N CA 0.234 53.229 53.050 -0.093 0.000 0.959 184 N CB 1.620 39.929 38.487 -0.296 0.000 1.201 184 N HN 0.233 nan 8.380 nan 0.000 0.511 185 A N -0.665 122.031 122.820 -0.206 0.000 2.599 185 A HA 0.735 5.055 4.320 0.000 0.000 0.290 185 A C -1.042 176.406 177.584 -0.226 0.000 1.101 185 A CA -0.517 51.413 52.037 -0.178 0.000 0.674 185 A CB 1.354 20.493 19.000 0.233 0.000 1.277 185 A HN 0.441 nan 8.150 nan 0.000 0.419 186 T N 0.425 114.815 114.554 -0.272 0.000 2.952 186 T HA 0.621 4.971 4.350 0.000 0.000 0.305 186 T C -1.760 172.897 174.700 -0.071 0.000 1.064 186 T CA -0.199 61.808 62.100 -0.154 0.000 1.008 186 T CB 1.215 69.972 68.868 -0.186 0.000 1.078 186 T HN 1.041 nan 8.240 nan 0.000 0.459 187 L N 3.227 124.482 121.223 0.054 0.000 2.455 187 L HA 0.727 5.067 4.340 0.000 0.000 0.264 187 L C -1.250 175.673 176.870 0.088 0.000 0.968 187 L CA -0.230 54.687 54.840 0.127 0.000 0.827 187 L CB 2.171 44.346 42.059 0.194 0.000 1.317 187 L HN 0.703 nan 8.230 nan 0.000 0.407 188 Q N 3.389 123.229 119.800 0.066 0.000 2.268 188 Q HA 0.644 4.984 4.340 0.000 0.000 0.266 188 Q C -2.144 173.835 176.000 -0.035 0.000 1.006 188 Q CA -0.667 55.157 55.803 0.035 0.000 0.824 188 Q CB 2.365 31.114 28.738 0.020 0.000 1.306 188 Q HN 0.538 nan 8.270 nan 0.000 0.424 189 V N 4.660 124.497 119.914 -0.127 0.000 2.472 189 V HA 0.241 4.361 4.120 0.000 0.000 0.290 189 V C 0.289 175.988 176.094 -0.658 0.000 1.037 189 V CA -0.039 62.019 62.300 -0.403 0.000 0.908 189 V CB 1.449 32.888 31.823 -0.641 0.000 0.985 189 V HN 1.068 nan 8.190 nan 0.000 0.454 190 D N 3.309 123.395 120.400 -0.523 0.000 4.078 190 D HA -0.277 4.363 4.640 0.000 0.000 0.196 190 D C 1.187 177.356 176.300 -0.219 0.000 0.717 190 D CA 2.148 55.916 54.000 -0.386 0.000 0.950 190 D CB -0.691 39.815 40.800 -0.490 0.000 0.423 190 D HN 0.636 nan 8.370 nan 0.000 0.373 191 S N -0.501 115.119 115.700 -0.133 0.000 2.749 191 S HA 0.127 4.597 4.470 0.000 0.000 0.246 191 S C -0.146 174.606 174.600 0.253 0.000 1.023 191 S CA -0.669 57.575 58.200 0.073 0.000 1.012 191 S CB 0.286 63.556 63.200 0.118 0.000 0.942 191 S HN 0.228 nan 8.310 nan 0.000 0.531 192 W N 3.040 124.367 121.300 0.045 0.000 1.979 192 W HA 0.289 4.949 4.660 0.000 0.000 0.359 192 W C -2.574 173.967 176.519 0.037 0.000 1.354 192 W CA -2.648 54.721 57.345 0.039 0.000 1.359 192 W CB -1.472 28.010 29.460 0.038 0.000 1.248 192 W HN -0.008 nan 8.180 nan 0.000 0.641 193 P HA 0.010 nan 4.420 nan 0.000 0.266 193 P C -0.249 177.147 177.300 0.160 0.000 1.195 193 P CA -0.076 63.124 63.100 0.168 0.000 0.768 193 P CB 0.325 32.099 31.700 0.124 0.000 0.838 194 V N 4.894 124.875 119.914 0.113 0.000 2.637 194 V HA 0.051 4.171 4.120 0.000 0.000 0.296 194 V C 0.717 176.871 176.094 0.101 0.000 1.046 194 V CA 0.334 62.689 62.300 0.093 0.000 1.066 194 V CB 0.021 31.882 31.823 0.064 0.000 0.968 194 V HN 0.357 nan 8.190 nan 0.000 0.483 195 I N 4.950 125.581 120.570 0.102 0.000 2.339 195 I HA 0.379 4.549 4.170 0.000 0.000 0.290 195 I C 0.116 176.291 176.117 0.097 0.000 0.994 195 I CA -0.276 61.090 61.300 0.109 0.000 1.191 195 I CB 1.097 39.169 38.000 0.120 0.000 1.343 195 I HN 0.638 nan 8.210 nan 0.000 0.458 196 E N 6.160 126.438 120.200 0.129 0.000 2.133 196 E HA 0.443 4.793 4.350 0.000 0.000 0.274 196 E C -0.661 176.043 176.600 0.173 0.000 0.930 196 E CA -0.945 55.539 56.400 0.141 0.000 0.770 196 E CB 2.231 32.134 29.700 0.339 0.000 1.104 196 E HN 0.302 nan 8.360 nan 0.000 0.403 197 R N 3.007 123.511 120.500 0.006 0.000 2.288 197 R HA 0.234 4.574 4.340 0.000 0.000 0.326 197 R C -1.780 174.470 176.300 -0.083 0.000 0.959 197 R CA -0.406 55.729 56.100 0.057 0.000 0.834 197 R CB 0.253 30.595 30.300 0.070 0.000 1.157 197 R HN 0.438 nan 8.270 nan 0.000 0.470 198 Y N 5.383 125.712 120.300 0.048 0.000 2.575 198 Y HA 0.375 4.925 4.550 -0.000 0.000 0.326 198 Y C -1.828 174.089 175.900 0.029 0.000 0.979 198 Y CA -2.823 55.301 58.100 0.041 0.000 1.286 198 Y CB 1.089 39.566 38.460 0.028 0.000 1.093 198 Y HN 0.598 nan 8.280 nan 0.000 0.501 199 P HA -0.036 nan 4.420 nan 0.000 0.261 199 P C 0.208 177.552 177.300 0.073 0.000 1.165 199 P CA 0.317 63.456 63.100 0.064 0.000 0.759 199 P CB 0.690 32.407 31.700 0.027 0.000 0.772 232 R N 0.915 121.428 120.500 0.022 0.000 2.500 232 R HA 0.101 4.441 4.340 0.000 0.000 0.281 232 R C -0.270 176.043 176.300 0.022 0.000 0.953 232 R CA 0.480 56.594 56.100 0.024 0.000 1.108 232 R CB 0.203 30.515 30.300 0.019 0.000 0.901 232 R HN 0.404 nan 8.270 nan 0.000 0.410 233 Q N 2.242 122.059 119.800 0.029 0.000 2.394 233 Q HA 0.332 4.672 4.340 0.000 0.000 0.273 233 Q C 0.064 176.084 176.000 0.033 0.000 1.089 233 Q CA -0.920 54.900 55.803 0.029 0.000 0.812 233 Q CB 2.187 30.950 28.738 0.042 0.000 1.353 233 Q HN 0.452 nan 8.270 nan 0.000 0.438 234 L N 0.194 121.435 121.223 0.030 0.000 2.473 234 L HA 0.074 4.414 4.340 0.000 0.000 0.265 234 L C 1.273 178.169 176.870 0.043 0.000 1.243 234 L CA 0.531 55.390 54.840 0.032 0.000 0.822 234 L CB 0.254 42.330 42.059 0.029 0.000 1.101 234 L HN 0.683 nan 8.230 nan 0.000 0.507 235 T N 0.643 115.220 114.554 0.038 0.000 2.975 235 T HA 0.393 4.743 4.350 0.000 0.000 0.261 235 T C 0.183 174.905 174.700 0.037 0.000 0.984 235 T CA -0.110 62.011 62.100 0.035 0.000 0.911 235 T CB 0.123 69.006 68.868 0.024 0.000 1.127 235 T HN 0.195 nan 8.240 nan 0.000 0.514 236 I N 1.476 122.077 120.570 0.052 0.000 2.474 236 I HA 0.410 4.580 4.170 0.000 0.000 0.294 236 I C -1.062 175.149 176.117 0.157 0.000 1.005 236 I CA -1.111 60.235 61.300 0.078 0.000 1.113 236 I CB 1.817 39.847 38.000 0.050 0.000 1.289 236 I HN 0.027 nan 8.210 nan 0.000 0.436 237 F N 6.361 126.293 119.950 -0.030 0.000 2.334 237 F HA 0.409 4.936 4.527 -0.000 0.000 0.365 237 F C -0.134 175.641 175.800 -0.042 0.000 1.124 237 F CA -1.437 56.548 58.000 -0.025 0.000 1.166 237 F CB -0.384 38.604 39.000 -0.020 0.000 1.355 237 F HN 0.433 nan 8.300 nan 0.000 0.532 238 N N 2.454 121.307 118.700 0.254 0.000 2.529 238 N HA 0.146 4.886 4.740 0.000 0.000 0.278 238 N C 0.348 175.800 175.510 -0.098 0.000 1.146 238 N CA -0.040 53.027 53.050 0.029 0.000 0.980 238 N CB 0.927 39.445 38.487 0.052 0.000 1.124 238 N HN 0.517 nan 8.380 nan 0.000 0.458 239 S N 0.327 115.919 115.700 -0.181 0.000 3.447 239 S HA -0.255 4.215 4.470 0.000 0.000 0.371 239 S C -0.461 173.943 174.600 -0.327 0.000 0.951 239 S CA 0.192 58.257 58.200 -0.224 0.000 1.269 239 S CB -1.320 61.816 63.200 -0.107 0.000 0.919 239 S HN 0.549 nan 8.310 nan 0.000 0.516 240 Q N 0.718 120.158 119.800 -0.600 0.000 2.274 240 Q HA 0.362 4.702 4.340 0.000 0.000 0.280 240 Q C 1.183 176.879 176.000 -0.507 0.000 1.047 240 Q CA 0.604 55.988 55.803 -0.698 0.000 0.907 240 Q CB 0.683 28.775 28.738 -1.077 0.000 1.171 240 Q HN 0.622 nan 8.270 nan 0.000 0.381 241 A N 2.784 125.569 122.820 -0.059 0.000 1.999 241 A HA 0.133 4.453 4.320 0.000 0.000 0.200 241 A C 0.650 178.469 177.584 0.391 0.000 1.363 241 A CA 0.875 53.007 52.037 0.157 0.000 0.844 241 A CB 0.635 19.670 19.000 0.058 0.000 0.954 241 A HN 0.700 nan 8.150 nan 0.000 0.481 242 T N -2.123 112.623 114.554 0.320 0.000 2.903 242 T HA 0.719 5.069 4.350 0.000 0.000 0.299 242 T C -0.962 173.852 174.700 0.190 0.000 1.093 242 T CA -0.482 61.732 62.100 0.191 0.000 1.002 242 T CB 1.505 70.416 68.868 0.071 0.000 1.127 242 T HN 0.160 nan 8.240 nan 0.000 0.488 243 I N 2.421 123.023 120.570 0.053 0.000 2.448 243 I HA 0.427 4.597 4.170 0.000 0.000 0.281 243 I C -0.836 175.262 176.117 -0.032 0.000 1.027 243 I CA -0.848 60.437 61.300 -0.025 0.000 1.111 243 I CB 1.377 39.312 38.000 -0.109 0.000 1.236 243 I HN 0.556 nan 8.210 nan 0.000 0.452 244 I N 7.216 127.763 120.570 -0.038 0.000 2.362 244 I HA 0.439 4.609 4.170 0.000 0.000 0.289 244 I C -0.387 175.689 176.117 -0.068 0.000 0.994 244 I CA -0.464 60.815 61.300 -0.036 0.000 1.158 244 I CB 1.688 39.676 38.000 -0.020 0.000 1.315 244 I HN 0.392 nan 8.210 nan 0.000 0.451 245 I N 5.388 125.921 120.570 -0.061 0.000 2.377 245 I HA 0.577 4.747 4.170 0.000 0.000 0.293 245 I C 0.916 176.966 176.117 -0.112 0.000 0.987 245 I CA -0.043 61.189 61.300 -0.113 0.000 1.185 245 I CB 1.660 39.615 38.000 -0.074 0.000 1.341 245 I HN 0.858 nan 8.210 nan 0.000 0.455 246 G N 3.371 111.979 108.800 -0.320 0.000 2.296 246 G HA2 -0.113 3.847 3.960 0.000 0.000 0.188 246 G HA3 -0.113 3.847 3.960 0.000 0.000 0.188 246 G C 1.033 175.861 174.900 -0.121 0.000 1.000 246 G CA -0.146 44.737 45.100 -0.362 0.000 0.672 246 G HN 1.344 nan 8.290 nan 0.000 0.483 247 G N 0.473 109.217 108.800 -0.093 0.000 2.216 247 G HA2 -0.431 3.529 3.960 0.000 0.000 0.269 247 G HA3 -0.431 3.529 3.960 0.000 0.000 0.269 247 G C 1.206 176.108 174.900 0.003 0.000 0.981 247 G CA 1.887 46.966 45.100 -0.036 0.000 0.658 247 G HN 1.104 nan 8.290 nan 0.000 0.539 248 K N 0.263 120.681 120.400 0.029 0.000 2.063 248 K HA -0.124 4.196 4.320 0.000 0.000 0.208 248 K C 2.196 178.807 176.600 0.019 0.000 1.048 248 K CA 1.871 58.182 56.287 0.040 0.000 0.928 248 K CB -0.216 32.325 32.500 0.067 0.000 0.713 248 K HN 0.539 nan 8.250 nan 0.000 0.442 249 E N -0.062 120.143 120.200 0.010 0.000 2.153 249 E HA -0.207 4.143 4.350 0.000 0.000 0.194 249 E C 1.613 178.204 176.600 -0.015 0.000 0.988 249 E CA 1.132 57.531 56.400 -0.002 0.000 0.811 249 E CB 0.209 29.907 29.700 -0.005 0.000 0.746 249 E HN 0.274 nan 8.360 nan 0.000 0.466 250 Q N -1.143 118.644 119.800 -0.021 0.000 2.472 250 Q HA 0.128 4.468 4.340 0.000 0.000 0.208 250 Q C 1.060 177.043 176.000 -0.028 0.000 0.958 250 Q CA 0.812 56.594 55.803 -0.035 0.000 0.932 250 Q CB 0.753 29.466 28.738 -0.042 0.000 1.007 250 Q HN 0.413 nan 8.270 nan 0.000 0.508 251 G N 0.048 108.840 108.800 -0.013 0.000 2.157 251 G HA2 -0.295 3.665 3.960 0.000 0.000 0.248 251 G HA3 -0.295 3.665 3.960 0.000 0.000 0.248 251 G C -0.035 174.864 174.900 -0.002 0.000 0.979 251 G CA 0.013 45.108 45.100 -0.008 0.000 0.650 251 G HN 0.373 nan 8.290 nan 0.000 0.529 252 Q N 0.233 120.035 119.800 0.004 0.000 3.300 252 Q HA 0.305 4.645 4.340 0.000 0.000 0.271 252 Q C -2.832 173.188 176.000 0.033 0.000 0.926 252 Q CA -1.863 53.949 55.803 0.014 0.000 0.788 252 Q CB 2.075 30.819 28.738 0.010 0.000 1.385 252 Q HN 0.234 nan 8.270 nan 0.000 0.424 253 P HA -0.112 nan 4.420 nan 0.000 0.262 253 P C -0.829 176.525 177.300 0.089 0.000 1.182 253 P CA 0.159 63.300 63.100 0.068 0.000 0.761 253 P CB 0.233 31.973 31.700 0.066 0.000 0.795 254 F N 3.748 123.641 119.950 -0.094 0.000 2.399 254 F HA 0.285 4.812 4.527 0.000 0.000 0.342 254 F C 0.189 175.981 175.800 -0.013 0.000 1.106 254 F CA 0.150 58.075 58.000 -0.125 0.000 1.196 254 F CB 0.895 39.696 39.000 -0.332 0.000 1.163 254 F HN 0.263 nan 8.300 nan 0.000 0.547 255 Q N 4.291 123.597 119.800 -0.824 0.000 2.290 255 Q HA 0.604 4.944 4.340 0.000 0.000 0.269 255 Q C -0.333 175.158 176.000 -0.849 0.000 1.016 255 Q CA -0.565 54.945 55.803 -0.487 0.000 0.754 255 Q CB 1.933 30.535 28.738 -0.228 0.000 1.247 255 Q HN 1.093 nan 8.270 nan 0.000 0.451 256 G N 1.866 110.444 108.800 -0.370 0.000 2.332 256 G HA2 -0.024 3.936 3.960 0.000 0.000 0.265 256 G HA3 -0.024 3.936 3.960 0.000 0.000 0.265 256 G C -1.688 173.461 174.900 0.414 0.000 1.329 256 G CA -0.844 44.196 45.100 -0.099 0.000 0.949 256 G HN 0.416 nan 8.290 nan 0.000 0.476 257 Q N -0.484 119.618 119.800 0.504 0.000 2.342 257 Q HA 0.764 5.104 4.340 0.000 0.000 0.267 257 Q C -0.837 175.471 176.000 0.514 0.000 1.038 257 Q CA -0.597 55.494 55.803 0.480 0.000 0.832 257 Q CB 2.572 31.434 28.738 0.207 0.000 1.323 257 Q HN 0.478 nan 8.270 nan 0.000 0.448 258 L N 1.210 122.697 121.223 0.440 0.000 2.381 258 L HA 0.749 5.089 4.340 0.000 0.000 0.268 258 L C -0.635 176.399 176.870 0.272 0.000 0.997 258 L CA -0.622 54.385 54.840 0.279 0.000 0.818 258 L CB 2.187 44.344 42.059 0.164 0.000 1.310 258 L HN 0.776 nan 8.230 nan 0.000 0.416 259 S N -0.610 115.223 115.700 0.222 0.000 2.567 259 S HA 0.658 5.128 4.470 0.000 0.000 0.270 259 S C 0.139 174.853 174.600 0.189 0.000 1.152 259 S CA -0.180 58.145 58.200 0.208 0.000 0.835 259 S CB 1.661 64.970 63.200 0.181 0.000 1.115 259 S HN 1.235 nan 8.310 nan 0.000 0.459 260 G N 0.177 109.077 108.800 0.167 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 -0.135 174.861 174.900 0.161 0.000 1.036 260 G CA 0.254 45.447 45.100 0.155 0.000 0.887 260 G HN 1.495 nan 8.290 nan 0.000 0.505 261 L N 0.576 121.884 121.223 0.143 0.000 2.534 261 L HA 0.587 4.927 4.340 0.000 0.000 0.271 261 L C -0.078 176.895 176.870 0.172 0.000 1.178 261 L CA -0.937 53.981 54.840 0.131 0.000 0.907 261 L CB 0.000 42.100 42.059 0.067 0.000 1.164 261 L HN 0.289 nan 8.230 nan 0.000 0.482 262 Y N 6.059 126.404 120.300 0.076 0.000 2.326 262 Y HA 0.436 4.986 4.550 0.000 0.000 0.331 262 Y C -1.771 174.211 175.900 0.136 0.000 0.962 262 Y CA -0.861 57.282 58.100 0.071 0.000 1.167 262 Y CB 1.073 39.561 38.460 0.046 0.000 1.148 262 Y HN 0.633 nan 8.280 nan 0.000 0.463 263 Y N 6.920 126.995 120.300 -0.374 0.000 2.327 263 Y HA 0.342 4.892 4.550 0.000 0.000 0.325 263 Y C -0.306 175.398 175.900 -0.326 0.000 0.999 263 Y CA -1.464 56.525 58.100 -0.184 0.000 1.195 263 Y CB 0.609 39.038 38.460 -0.051 0.000 1.132 263 Y HN 0.822 nan 8.280 nan 0.000 0.455 264 N N 4.521 122.746 118.700 -0.791 0.000 2.699 264 N HA -0.217 4.523 4.740 0.000 0.000 0.256 264 N C 1.074 176.319 175.510 -0.441 0.000 0.993 264 N CA 1.850 54.577 53.050 -0.538 0.000 0.759 264 N CB -1.045 37.102 38.487 -0.567 0.000 0.906 264 N HN 1.338 nan 8.380 nan 0.000 0.541 265 G N -1.975 106.365 108.800 -0.767 0.000 2.225 265 G HA2 -0.321 3.639 3.960 0.000 0.000 0.254 265 G HA3 -0.321 3.639 3.960 0.000 0.000 0.254 265 G C 0.064 174.699 174.900 -0.442 0.000 0.988 265 G CA 0.415 45.245 45.100 -0.451 0.000 0.625 265 G HN 0.433 nan 8.290 nan 0.000 0.527 266 L N 0.575 121.500 121.223 -0.496 0.000 2.292 266 L HA 0.445 4.785 4.340 0.000 0.000 0.284 266 L C 0.527 177.203 176.870 -0.322 0.000 1.065 266 L CA -0.457 54.179 54.840 -0.340 0.000 0.806 266 L CB 1.371 43.236 42.059 -0.323 0.000 1.175 266 L HN 0.015 nan 8.230 nan 0.000 0.431 267 K N 2.841 123.130 120.400 -0.184 0.000 2.403 267 K HA 0.159 4.479 4.320 0.000 0.000 0.235 267 K C 1.022 177.562 176.600 -0.100 0.000 1.142 267 K CA -0.301 55.947 56.287 -0.065 0.000 1.114 267 K CB 0.896 33.406 32.500 0.016 0.000 1.777 267 K HN 0.463 nan 8.250 nan 0.000 0.424 268 V N 1.269 121.094 119.914 -0.149 0.000 2.380 268 V HA -0.322 3.798 4.120 0.000 0.000 0.251 268 V C 1.977 178.013 176.094 -0.097 0.000 1.063 268 V CA 1.699 63.880 62.300 -0.199 0.000 1.055 268 V CB -0.575 31.120 31.823 -0.212 0.000 0.657 268 V HN 0.660 nan 8.190 nan 0.000 0.455 269 L N -0.185 121.038 121.223 -0.001 0.000 2.109 269 L HA -0.119 4.221 4.340 0.000 0.000 0.207 269 L C 2.358 179.323 176.870 0.158 0.000 1.086 269 L CA 1.645 56.547 54.840 0.105 0.000 0.760 269 L CB -0.778 41.410 42.059 0.216 0.000 0.910 269 L HN 0.449 nan 8.230 nan 0.000 0.437 270 N N 0.069 118.821 118.700 0.086 0.000 2.084 270 N HA -0.184 4.556 4.740 0.000 0.000 0.190 270 N C 1.974 177.507 175.510 0.040 0.000 1.030 270 N CA 1.189 54.280 53.050 0.067 0.000 0.849 270 N CB -0.111 38.398 38.487 0.036 0.000 1.012 270 N HN 0.295 nan 8.380 nan 0.000 0.423 271 M N 0.773 120.362 119.600 -0.018 0.000 2.149 271 M HA -0.138 4.342 4.480 0.000 0.000 0.261 271 M C 2.367 178.663 176.300 -0.007 0.000 1.064 271 M CA 1.228 56.500 55.300 -0.047 0.000 1.102 271 M CB -0.248 32.262 32.600 -0.150 0.000 1.369 271 M HN 0.229 nan 8.290 nan 0.000 0.408 272 A N 0.115 122.940 122.820 0.009 0.000 1.969 272 A HA 0.045 4.365 4.320 0.000 0.000 0.218 272 A C 2.299 179.965 177.584 0.136 0.000 1.169 272 A CA 1.637 53.692 52.037 0.031 0.000 0.635 272 A CB -0.716 18.235 19.000 -0.082 0.000 0.810 272 A HN 0.498 nan 8.150 nan 0.000 0.445 273 A N -0.335 122.597 122.820 0.186 0.000 2.066 273 A HA -0.019 4.301 4.320 0.000 0.000 0.218 273 A C 1.560 179.188 177.584 0.073 0.000 1.157 273 A CA 1.132 53.261 52.037 0.154 0.000 0.670 273 A CB -0.248 18.818 19.000 0.110 0.000 0.804 273 A HN 0.597 nan 8.150 nan 0.000 0.453 274 E N -0.789 119.443 120.200 0.053 0.000 2.465 274 E HA 0.082 4.432 4.350 0.000 0.000 0.195 274 E C -0.366 176.251 176.600 0.028 0.000 1.028 274 E CA -0.312 56.106 56.400 0.030 0.000 0.899 274 E CB -0.121 29.591 29.700 0.019 0.000 1.032 274 E HN 0.578 nan 8.360 nan 0.000 0.468 275 N N 2.621 121.344 118.700 0.037 0.000 2.740 275 N HA -0.172 4.568 4.740 0.000 0.000 0.248 275 N C -0.673 174.852 175.510 0.024 0.000 1.062 275 N CA 0.576 53.644 53.050 0.031 0.000 0.704 275 N CB -0.653 37.850 38.487 0.026 0.000 0.968 275 N HN 0.309 nan 8.380 nan 0.000 0.547 276 D N -0.443 119.971 120.400 0.023 0.000 2.548 276 D HA 0.002 4.642 4.640 0.000 0.000 0.231 276 D C 1.314 177.635 176.300 0.035 0.000 1.142 276 D CA 0.919 54.936 54.000 0.028 0.000 0.866 276 D CB 0.741 41.558 40.800 0.029 0.000 1.190 276 D HN 0.416 nan 8.370 nan 0.000 0.469 277 A N 4.745 127.585 122.820 0.033 0.000 1.972 277 A HA -0.196 4.124 4.320 0.000 0.000 0.219 277 A C 1.576 179.169 177.584 0.015 0.000 1.169 277 A CA 1.014 53.064 52.037 0.021 0.000 0.635 277 A CB -0.138 18.872 19.000 0.017 0.000 0.810 277 A HN 0.682 nan 8.150 nan 0.000 0.446 278 N N -0.297 118.423 118.700 0.035 0.000 2.370 278 N HA 0.204 4.944 4.740 0.000 0.000 0.198 278 N C -0.216 175.299 175.510 0.008 0.000 1.156 278 N CA 0.340 53.375 53.050 -0.024 0.000 0.839 278 N CB 0.362 38.789 38.487 -0.100 0.000 0.989 278 N HN 0.454 nan 8.380 nan 0.000 0.468 279 I N 0.549 121.153 120.570 0.056 0.000 2.493 279 I HA 0.496 4.667 4.170 0.000 0.000 0.298 279 I C -0.436 175.684 176.117 0.005 0.000 0.998 279 I CA -0.936 60.394 61.300 0.051 0.000 1.137 279 I CB 1.991 40.021 38.000 0.050 0.000 1.310 279 I HN -0.146 nan 8.210 nan 0.000 0.445 280 A N 7.343 130.157 122.820 -0.010 0.000 2.381 280 A HA 0.766 5.086 4.320 0.000 0.000 0.299 280 A C -0.917 176.654 177.584 -0.022 0.000 1.049 280 A CA -0.448 51.580 52.037 -0.014 0.000 0.715 280 A CB 1.100 20.090 19.000 -0.016 0.000 1.222 280 A HN 0.610 nan 8.150 nan 0.000 0.428 281 I N 2.294 122.851 120.570 -0.022 0.000 2.412 281 I HA 0.640 4.810 4.170 0.000 0.000 0.296 281 I C -0.694 175.415 176.117 -0.013 0.000 0.987 281 I CA -0.932 60.347 61.300 -0.035 0.000 1.180 281 I CB 1.872 39.845 38.000 -0.045 0.000 1.340 281 I HN 0.345 nan 8.210 nan 0.000 0.455 282 V N 3.811 123.722 119.914 -0.005 0.000 3.087 282 V HA 0.830 4.950 4.120 0.000 0.000 0.306 282 V C 0.349 176.456 176.094 0.022 0.000 1.187 282 V CA 0.133 62.439 62.300 0.010 0.000 0.999 282 V CB 1.796 33.628 31.823 0.016 0.000 1.049 282 V HN 1.110 nan 8.190 nan 0.000 0.431 283 G N 3.369 112.182 108.800 0.022 0.000 2.593 283 G HA2 -0.229 3.731 3.960 0.000 0.000 0.237 283 G HA3 -0.229 3.731 3.960 0.000 0.000 0.237 283 G C 0.009 174.920 174.900 0.019 0.000 1.312 283 G CA 0.224 45.342 45.100 0.032 0.000 0.896 283 G HN 0.860 nan 8.290 nan 0.000 0.574 284 N N 0.696 119.416 118.700 0.033 0.000 3.103 284 N HA 0.373 5.113 4.740 0.000 0.000 0.305 284 N C -0.253 175.236 175.510 -0.035 0.000 1.232 284 N CA 0.373 53.433 53.050 0.017 0.000 1.190 284 N CB -0.294 38.219 38.487 0.042 0.000 1.461 284 N HN 0.641 nan 8.380 nan 0.000 0.538 285 V N 2.271 122.127 119.914 -0.096 0.000 2.588 285 V HA 0.520 4.640 4.120 0.000 0.000 0.304 285 V C -0.126 175.915 176.094 -0.089 0.000 1.042 285 V CA -0.848 61.298 62.300 -0.256 0.000 0.877 285 V CB 2.001 33.607 31.823 -0.363 0.000 0.996 285 V HN 0.258 nan 8.190 nan 0.000 0.425 286 R N 2.941 123.403 120.500 -0.064 0.000 2.628 286 R HA 0.621 4.961 4.340 0.000 0.000 0.288 286 R C -1.138 175.103 176.300 -0.098 0.000 0.980 286 R CA -0.625 55.466 56.100 -0.015 0.000 0.891 286 R CB 1.828 32.107 30.300 -0.035 0.000 1.188 286 R HN 0.642 nan 8.270 nan 0.000 0.450 287 L N 3.313 124.392 121.223 -0.241 0.000 2.315 287 L HA 0.346 4.686 4.340 0.000 0.000 0.283 287 L C -0.728 175.963 176.870 -0.299 0.000 1.089 287 L CA -0.160 54.318 54.840 -0.603 0.000 0.833 287 L CB 0.982 42.734 42.059 -0.513 0.000 1.170 287 L HN 0.408 nan 8.230 nan 0.000 0.442 288 V N 6.332 126.088 119.914 -0.262 0.000 2.555 288 V HA 0.394 4.514 4.120 0.000 0.000 0.286 288 V C 1.278 177.308 176.094 -0.108 0.000 1.044 288 V CA 0.224 62.457 62.300 -0.112 0.000 1.026 288 V CB 0.617 32.428 31.823 -0.021 0.000 0.981 288 V HN 0.995 nan 8.190 nan 0.000 0.480 289 G N 4.230 112.987 108.800 -0.071 0.000 2.683 289 G HA2 0.227 4.187 3.960 0.000 0.000 0.260 289 G HA3 0.227 4.187 3.960 0.000 0.000 0.260 289 G C 0.013 174.886 174.900 -0.045 0.000 1.238 289 G CA -0.480 44.584 45.100 -0.060 0.000 0.934 289 G HN 0.671 nan 8.290 nan 0.000 0.534 290 E N -1.528 118.649 120.200 -0.039 0.000 2.369 290 E HA 0.288 4.638 4.350 0.000 0.000 0.255 290 E C -0.069 176.511 176.600 -0.034 0.000 1.172 290 E CA -0.413 55.968 56.400 -0.032 0.000 0.932 290 E CB 1.586 31.269 29.700 -0.027 0.000 1.040 290 E HN 0.081 nan 8.360 nan 0.000 0.454 291 V N 1.795 121.688 119.914 -0.035 0.000 2.863 291 V HA 0.179 4.299 4.120 0.000 0.000 0.307 291 V C -1.538 174.536 176.094 -0.033 0.000 1.061 291 V CA -1.225 61.050 62.300 -0.041 0.000 1.024 291 V CB 0.554 32.347 31.823 -0.049 0.000 1.049 291 V HN 0.680 nan 8.190 nan 0.000 0.471 292 P HA 0.000 nan 4.420 nan 0.000 0.216 292 P CA 0.000 63.084 63.100 -0.027 0.000 0.800 292 P CB 0.000 31.683 31.700 -0.028 0.000 0.726